A0A077Z813_TRITR 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 A0A077Z813, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 821 aa.

						>A0A077Z813_TRITR|A0A077Z813
MPTVLMVAEKPLLAKTIAQILSNGRMQTRKGFNQACSIHEFDGFLCGRPVHFKMTSTCGHVMTLNFPKQYNNWDRIDPADLFNAPVVKEEANPKLRMVKFLASEARAVSYLVLWLDCDKEGENICFEVIAAVRLEMPHLVDANIYRAHFSSLAPSDIKAAMANLIRPNYWQSLSVDARQELDLRIGCAFTRFQTRFFHEKYGDLDSNLLSFGPCQTPTLGFCVARYDEIQSFQPERYWTITLEAVKQNGVTVKASWLRERMFDRSVFTMIVARLKRAKEAVVLSVSKEMKVKRKPIALNTVEMLRVASACLGLGPQAAMTAAEHLYTQGYISYPRTETTRYPSNFDFRPILTGLRRLPEFQVHIDNMTETGIHPPSGGVDAGDHPPITPMGLNSEYPAGSNESKLYSYIVQHFLATASHLSSDCKYCSEEIIIQADKEQFCLSRVTPVDPGFTKILSWKQISSTGDLPELKEGEKLRITAVVADEKMTNPPDYLIEAELITLMEQHGIGTDASIPVHINNICQRNYVSVAGSARHLVPTKLGVLLAHGYKKIDEELVEPTMRASVEQELNLIAKGEADFVSVMKHVLRIFNLKFFYFVLKINLMDTLFEDSYTTLAEAGKPFTRCGRCKRYMKLISAGRNRVHCSFCRETYLLPWGPSLTIRPFGENLCPIDGFGLVRCVEGQKKRGSTVCPNCYAQPPFEDMQVNSTCSQCTHPTCPYSLIAQGILPCRLCAQASRMLVARKPLMVLDVDSGPKWRMCCNYCRHSVPIFQGAVTVVVTDKICSTCSAKVVSVVYPAVCIAFQLCSSLYLEKAEPLKCKLD
					

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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	86.9	Confident	95.9	Very high	129 Å²	129	29 Å²	29	64%	0.635	16%	0.156	S	C	*	.				0	128.9	0	-174.4	159.2	74.3	0	0	107.5	D42 P49 H51	M1-D42 HydrophobicContact CE-CB 4.28Å; M1-D42 WeakPolarHBondContact CE-OD1 3.37Å; M1-P49 WeakPolarHBondContact CG-O 3.11Å; M1-P49 HydrophobicContact SD-CB 4.13Å; M1-H51 HydrophobicContact CE-CB 3.66Å
2	P	93.4	Very high	95.7	Very high	44 Å²	44	31.5 Å²	31.5	29%	0.286	17%	0.169	S	C	.	.			trans	-67.2	144.9	179.1	27.8	-33	0	0	0	110.6	V50 H51 S109 Y110	P2-V50 HydrophobicContact CG-CG1 3.99Å; P2-V50 WeakPolarHBondContact O-CA 3.43Å; P2-H51 PolarHBondContact O-N 3.46Å; P2-S109 WeakPolarHBondContact CB-OG 3.39Å; P2-Y110 HydrophobicContact CB-CE2 4.2Å; P2-Y110 HydrophobicContact CG-CE2 4.48Å
3	T	95.4	Very high	95.6	Very high	34 Å²	34	29.1 Å²	29.1	21%	0.209	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	140.7	177.6	-56.1	0	0	0	0	110.1	H51 K53 V108 S109 Y110	T3-H51 CarbonylContact C-O 3.53Å; T3-H51 VanDerWaalsContact CA-O 3.3Å; T3-H51 WeakPolarHBondContact CA-O 3.42Å; T3-K53 HydrophobicContact CG2-CB 4.36Å; T3-V108 HydrophobicContact CG2-CG2 4.06Å; T3-S109 PolarHBondContact O-N 3.25Å; T3-Y110 PolarHBondContact O-N 2.77Å
4	V	97	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.2	178.3	-177.6	0	0	0	0	108.6	M6 L45 V50 H51 F52 K53 Y110 V112	V4-M6 HydrophobicContact CG1-CG 4.22Å; V4-L45 HydrophobicContact CG1-CD2 4.41Å; V4-L45 HydrophobicContact CG2-CD2 3.87Å; V4-V50 HydrophobicContact CG2-CB 3.81Å; V4-V50 HydrophobicContact CG2-CG1 4.08Å; V4-V50 HydrophobicContact CG2-CG2 3.84Å; V4-H51 PolarHBondContact N-O 2.92Å; V4-F52 HydrophobicContact CB-CD1 3.65Å; V4-F52 HydrophobicContact CB-CE1 3.81Å; V4-F52 HydrophobicContact CG1-CD1 3.87Å; V4-F52 HydrophobicContact CG1-CE1 3.8Å; V4-F52 HydrophobicContact CG2-CD1 4.28Å; V4-F52 HydrophobicContact CG2-CE1 4.04Å; V4-K53 PolarHBondContact O-N 2.89Å; V4-Y110 WeakPolarHBondContact CA-O 3.03Å; V4-Y110 HydrophobicContact CG2-CD2 4.04Å; V4-Y110 HydrophobicContact CG2-CG 4.49Å; V4-V112 HydrophobicContact CG1-CG2 3.6Å
5	L	97.9	Very high	95.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130	171.1	-178	63.9	0	0	0	108.7	V7 K53 T55 E104 A105 V108 Y110 L111 V112 V132	L5-V7 HydrophobicContact CD1-CG2 4.39Å; L5-V7 HydrophobicContact CD2-CG2 4.11Å; L5-V7 HydrophobicContact CG-CG2 3.88Å; L5-K53 WeakPolarHBondContact CA-O 3.32Å; L5-K53 HydrophobicContact CD1-CD 4.32Å; L5-K53 HydrophobicContact CD1-CG 4.33Å; L5-T55 HydrophobicContact CD1-CG2 4.05Å; L5-E104 HydrophobicContact CD1-CB 4.43Å; L5-A105 HydrophobicContact CD2-CB 4.04Å; L5-V108 HydrophobicContact CB-CB 4.42Å; L5-V108 HydrophobicContact CB-CG1 3.69Å; L5-V108 HydrophobicContact CB-CG2 4.01Å; L5-Y110 PolarHBondContact N-O 3.42Å; L5-L111 HydrophobicContact CB-CD1 4.19Å; L5-L111 HydrophobicContact CD2-CD1 4.1Å; L5-L111 HydrophobicContact CG-CD1 4.1Å; L5-L111 CarbonylContact O-C 3.58Å; L5-L111 WeakPolarHBondContact O-CA 3.33Å; L5-V112 PolarHBondContact O-N 2.61Å; L5-V132 HydrophobicContact CD2-CG2 3.83Å
6	M	98.7	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.7	173	-55.6	-167.4	-73.8	0	0	108.9	V4 L21 F41 F52 K53 M54 T55 V112	V4-M6 HydrophobicContact CG1-CG 4.22Å; M6-L21 HydrophobicContact CE-CD1 4.27Å; M6-L21 HydrophobicContact SD-CD1 4.28Å; M6-F41 HydrophobicContact CE-CE1 3.77Å; M6-F41 HydrophobicContact CE-CE2 4.38Å; M6-F41 HydrophobicContact CE-CZ 3.4Å; M6-F41 VanDerWaalsContact CE-CZ 3.4Å; M6-F52 HydrophobicContact CE-CB 3.56Å; M6-F52 HydrophobicContact CE-CD1 3.56Å; M6-F52 HydrophobicContact CE-CE1 4.45Å; M6-F52 HydrophobicContact CE-CG 3.67Å; M6-F52 HydrophobicContact CG-CD1 4.03Å; M6-F52 HydrophobicContact SD-CD1 3.55Å; M6-F52 VanDerWaalsContact SD-CD1 3.55Å; M6-F52 HydrophobicContact SD-CE1 3.97Å; M6-F52 HydrophobicContact SD-CG 4.26Å; M6-K53 PolarHBondContact N-O 3Å; M6-M54 HydrophobicContact CB-CB 4.18Å; M6-M54 HydrophobicContact CB-CE 3.69Å; M6-M54 HydrophobicContact CB-CG 4.47Å; M6-M54 HydrophobicContact CB-SD 3.51Å; M6-M54 VanDerWaalsContact CB-SD 3.51Å; M6-M54 HydrophobicContact CE-CB 3.89Å; M6-M54 HydrophobicContact CE-CE 3.91Å; M6-M54 CarbonylContact O-C 3.17Å; M6-M54 WeakPolarHBondContact O-CA 3.46Å; M6-M54 HydrophobicContact SD-CE 4.08Å; M6-T55 PolarHBondContact O-N 2.77Å; M6-V112 VanDerWaalsContact CA-O 3.24Å; M6-V112 WeakPolarHBondContact CA-O 3.34Å; M6-V112 HydrophobicContact CG-CB 4.07Å; M6-V112 HydrophobicContact CG-CG2 4.48Å
7	V	98.7	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	116.1	-175.7	-172.7	0	0	0	0	110.4	L5 T55 T57 L101 L111 V112 W114 L115 V128	L5-V7 HydrophobicContact CD1-CG2 4.39Å; L5-V7 HydrophobicContact CD2-CG2 4.11Å; L5-V7 HydrophobicContact CG-CG2 3.88Å; V7-T55 WeakPolarHBondContact CA-O 3.37Å; V7-T55 HydrophobicContact CG2-CG2 4.32Å; V7-T57 HydrophobicContact CG1-CG2 4.01Å; V7-L101 HydrophobicContact CG1-CD2 4.01Å; V7-L101 HydrophobicContact CG2-CD2 4.36Å; V7-L111 HydrophobicContact CG2-CD1 4.02Å; V7-V112 PolarHBondContact N-O 2.69Å; V7-V112 VanDerWaalsContact N-O 3.07Å; V7-W114 CarbonylContact O-C 3.51Å; V7-W114 WeakPolarHBondContact O-CA 3.42Å; V7-W114 PolarHBondContact O-N 2.9Å; V7-L115 WeakPolarHBondContact O-CD1 3.48Å; V7-V128 HydrophobicContact CB-CG1 3.99Å; V7-V128 HydrophobicContact CG1-CG1 3.98Å; V7-V128 HydrophobicContact CG1-CG2 3.97Å; V7-V128 HydrophobicContact CG2-CG1 3.88Å
8	A	98.5	Very high	95.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	170.9	171	0	0	0	0	0	112.3	L13 A14 I17 M54 T55 S56 T57 W114	A8-L13 HydrophobicContact CB-CB 3.99Å; A8-A14 HydrophobicContact CB-CB 3.96Å; A8-I17 HydrophobicContact CB-CD1 4.36Å; A8-M54 HydrophobicContact CB-SD 4.49Å; A8-T55 PolarHBondContact N-O 2.69Å; A8-S56 CarbonylContact O-C 3.57Å; A8-S56 WeakPolarHBondContact O-CA 3.29Å; A8-S56 WeakPolarHBondContact O-CB 3.31Å; A8-T57 PolarHBondContact O-N 3.42Å; A8-W114 WeakPolarHBondContact CA-O 3.36Å; A8-W114 HydrophobicContact CB-CB 4.1Å
9	E	97.3	Very high	96	Very high	20 Å²	20	32.2 Å²	32.2	9%	0.093	17%	0.165	C	C	.	.	S	Bend	trans	-76.8	-33.6	-177.1	-170.1	-178.2	124.4	0	0	113.7	L13 T57 C58 G59 L115 D116 I124	E9-L13 HydrophobicContact CB-CD1 4.13Å; E9-T57 CarbonylContact O-C 3.54Å; E9-T57 PolarHBondContact O-OG1 2.9Å; E9-C58 PolarHBondContact O-N 2.99Å; E9-G59 PolarHBondContact O-N 2.8Å; E9-L115 HydrophobicContact CB-CB 4.38Å; E9-L115 HydrophobicContact CB-CD2 4.5Å; E9-L115 HydrophobicContact CB-CG 4.42Å; E9-D116 WeakPolarHBondContact OE2-CB 3.39Å; E9-D116 PolarHBondContact OE2-N 3.02Å; E9-I124 HydrophobicContact CG-CD1 4.08Å
10	K	95.5	Very high	96	Very high	48 Å²	48	31.7 Å²	31.7	21%	0.209	16%	0.162	C	C	.	.	S	Bend	trans	-132.6	149.8	-175	-62.7	171.8	-173.7	162.1	0	110.9	L12 L13 A14 S56 E323	K10-L12 VanDerWaalsContact C-N 3.26Å; K10-L12 PolarHBondContact O-N 3.4Å; K10-L13 HydrophobicContact CB-CD1 4Å; K10-L13 HydrophobicContact CB-CG 4.23Å; K10-L13 HydrophobicContact CD-CD1 4.5Å; K10-L13 HydrophobicContact CG-CD1 4.35Å; K10-L13 WeakPolarHBondContact O-CB 3.46Å; K10-L13 PolarHBondContact O-N 2.92Å; K10-L13 VanDerWaalsContact O-N 3.09Å; K10-A14 PolarHBondContact O-N 2.65Å; K10-A14 VanDerWaalsContact O-N 3.12Å; K10-S56 VanDerWaalsContact C-CB 3.46Å; K10-S56 WeakPolarHBondContact O-CB 3.32Å; K10-E323 IonicContact NZ-OE2 3.55Å; K10-E323 PolarHBondContact NZ-OE2 3.36Å
11	P	95.9	Very high	96	Very high	44 Å²	44	31.6 Å²	31.6	29%	0.286	16%	0.162	S	C	.	.	H	α-helix	trans	-56.8	-35.8	-178.5	-28.7	36.2	0	0	0	114.8	K15 S56	P11-K15 PolarHBondContact O-N 3.32Å; P11-K15 VanDerWaalsContact O-N 3.14Å; P11-S56 VanDerWaalsContact CA-OG 3.24Å; P11-S56 WeakPolarHBondContact CA-OG 3.37Å
12	L	93	Very high	96.5	Very high	59 Å²	59	25.8 Å²	25.8	31%	0.309	13%	0.134	S	C	.	.	H	α-helix	trans	-69.7	-40.3	178.4	-176.3	60.3	0	0	0	111.6	K10 K15 T16 T327	K10-L12 VanDerWaalsContact C-N 3.26Å; K10-L12 PolarHBondContact O-N 3.4Å; L12-K15 PolarHBondContact O-N 3.33Å; L12-T16 PolarHBondContact O-N 3.5Å; L12-T16 PolarHBondContact O-OG1 3.16Å; L12-T16 VanDerWaalsContact O-OG1 3.07Å; L12-T327 HydrophobicContact CB-CG2 3.75Å; L12-T327 HydrophobicContact CD2-CG2 3.49Å; L12-T327 VanDerWaalsContact CD2-CG2 3.49Å; L12-T327 HydrophobicContact CG-CG2 3.7Å
13	L	94.7	Very high	96.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.7	-49.2	174.2	-66.4	170.4	0	0	0	111	A8 E9 K10 K15 T16 I17 D116 L152 Y326 T327	A8-L13 HydrophobicContact CB-CB 3.99Å; E9-L13 HydrophobicContact CB-CD1 4.13Å; K10-L13 HydrophobicContact CB-CD1 4Å; K10-L13 HydrophobicContact CB-CG 4.23Å; K10-L13 HydrophobicContact CD-CD1 4.5Å; K10-L13 HydrophobicContact CG-CD1 4.35Å; K10-L13 WeakPolarHBondContact O-CB 3.46Å; K10-L13 PolarHBondContact O-N 2.92Å; K10-L13 VanDerWaalsContact O-N 3.09Å; L13-K15 VanDerWaalsContact C-N 3.32Å; L13-K15 PolarHBondContact O-N 3.46Å; L13-T16 PolarHBondContact O-N 2.66Å; L13-I17 HydrophobicContact CB-CD1 4.5Å; L13-I17 WeakPolarHBondContact O-CB 3.22Å; L13-I17 VanDerWaalsContact O-CG1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.43Å; L13-I17 PolarHBondContact O-N 3.03Å; L13-D116 WeakPolarHBondContact CD1-OD1 3.46Å; L13-L152 HydrophobicContact CD2-CD1 3.63Å; L13-L152 HydrophobicContact CD2-CD2 3.81Å; L13-L152 HydrophobicContact CD2-CG 4.21Å; L13-Y326 HydrophobicContact CD2-CE1 3.87Å; L13-T327 HydrophobicContact CD2-CG2 3.93Å; L13-T327 HydrophobicContact CG-CG2 3.98Å
14	A	97.5	Very high	96.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-56.4	-45.4	177.8	0	0	0	0	0	112.3	A8 K10 A18 M54 T55	A8-A14 HydrophobicContact CB-CB 3.96Å; K10-A14 PolarHBondContact O-N 2.65Å; K10-A14 VanDerWaalsContact O-N 3.12Å; A14-A18 WeakPolarHBondContact O-CB 3.36Å; A14-A18 PolarHBondContact O-N 3.15Å; A14-M54 HydrophobicContact CB-CG 3.94Å; A14-M54 HydrophobicContact CB-SD 4.29Å; A14-M54 WeakPolarHBondContact O-CG 3.49Å; A14-T55 WeakPolarHBondContact CB-O 3.23Å
15	K	96.5	Very high	96.5	Very high	101 Å²	101	38.1 Å²	38.1	44%	0.439	19%	0.193	S	C	.	.	H	α-helix	trans	-60.8	-49.2	177.5	-176	-173.2	175.1	-171.2	0	111.4	P11 L12 L13 A18 Q19 M26	P11-K15 PolarHBondContact O-N 3.32Å; P11-K15 VanDerWaalsContact O-N 3.14Å; L12-K15 PolarHBondContact O-N 3.33Å; L13-K15 VanDerWaalsContact C-N 3.32Å; L13-K15 PolarHBondContact O-N 3.46Å; K15-A18 PolarHBondContact O-N 3.12Å; K15-Q19 VanDerWaalsContact O-CB 3.3Å; K15-Q19 WeakPolarHBondContact O-CB 3.39Å; K15-Q19 PolarHBondContact O-N 2.83Å; K15-M26 HydrophobicContact CG-CE 4.03Å
16	T	94.7	Very high	96.5	Very high	33 Å²	33	39.9 Å²	39.9	20%	0.202	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-47.6	-177.4	-59.8	0	0	0	0	111.3	L12 L13 Q19 I20 L152	L12-T16 PolarHBondContact O-N 3.5Å; L12-T16 PolarHBondContact O-OG1 3.16Å; L12-T16 VanDerWaalsContact O-OG1 3.07Å; L13-T16 PolarHBondContact O-N 2.66Å; T16-Q19 PolarHBondContact O-N 2.95Å; T16-I20 HydrophobicContact CG2-CD1 4.07Å; T16-I20 WeakPolarHBondContact O-CG1 3.49Å; T16-I20 PolarHBondContact O-N 3.32Å; T16-L152 HydrophobicContact CG2-CB 4.17Å; T16-L152 HydrophobicContact CG2-CD1 4.17Å
17	I	97.1	Very high	96.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-46	179.2	-63.2	166.5	0	0	0	110.4	A8 L13 Q19 I20 L21 M54 W114 F149 L152 I157	A8-I17 HydrophobicContact CB-CD1 4.36Å; L13-I17 HydrophobicContact CB-CD1 4.5Å; L13-I17 WeakPolarHBondContact O-CB 3.22Å; L13-I17 VanDerWaalsContact O-CG1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.43Å; L13-I17 PolarHBondContact O-N 3.03Å; I17-Q19 VanDerWaalsContact C-N 3.32Å; I17-Q19 PolarHBondContact O-N 3.44Å; I17-I20 PolarHBondContact O-N 2.89Å; I17-L21 HydrophobicContact CG2-CD1 3.78Å; I17-L21 HydrophobicContact CG2-CG 4.24Å; I17-L21 WeakPolarHBondContact O-CG 3.5Å; I17-L21 PolarHBondContact O-N 2.89Å; I17-M54 HydrophobicContact CB-CE 3.85Å; I17-M54 HydrophobicContact CG2-CE 3.34Å; I17-W114 HydrophobicContact CD1-CB 4.09Å; I17-W114 HydrophobicContact CD1-CD2 4.26Å; I17-W114 HydrophobicContact CD1-CE3 3.82Å; I17-W114 HydrophobicContact CD1-CG 4.44Å; I17-W114 HydrophobicContact CG1-CE3 4.43Å; I17-W114 HydrophobicContact CG2-CD2 3.87Å; I17-W114 HydrophobicContact CG2-CE3 3.82Å; I17-W114 HydrophobicContact CG2-CG 4.49Å; I17-W114 HydrophobicContact CG2-CH2 4.25Å; I17-W114 HydrophobicContact CG2-CZ2 4.29Å; I17-W114 HydrophobicContact CG2-CZ3 4.02Å; I17-F149 HydrophobicContact CD1-CZ 4.33Å; I17-L152 HydrophobicContact CD1-CD2 4.45Å; I17-L152 HydrophobicContact CG1-CD2 4.15Å; I17-I157 HydrophobicContact CG1-CD1 4.04Å; I17-I157 HydrophobicContact CG2-CG2 3.89Å
18	A	98	Very high	96.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-40.3	176.4	0	0	0	0	0	112.5	A14 K15 I20 L21 S22 M26 H39 F41 M54	A14-A18 WeakPolarHBondContact O-CB 3.36Å; A14-A18 PolarHBondContact O-N 3.15Å; K15-A18 PolarHBondContact O-N 3.12Å; A18-I20 VanDerWaalsContact C-N 3.34Å; A18-I20 PolarHBondContact O-N 3.4Å; A18-L21 PolarHBondContact O-N 3.38Å; A18-S22 WeakPolarHBondContact O-CB 3.4Å; A18-S22 PolarHBondContact O-N 3.31Å; A18-S22 PolarHBondContact O-OG 2.93Å; A18-M26 HydrophobicContact CB-SD 3.5Å; A18-M26 VanDerWaalsContact CB-SD 3.5Å; A18-H39 HydrophobicContact CB-CB 3.5Å; A18-F41 HydrophobicContact CB-CE1 3.97Å; A18-M54 HydrophobicContact CB-CB 3.97Å; A18-M54 HydrophobicContact CB-CG 3.95Å
19	Q	96.9	Very high	96.4	Very high	99 Å²	99	55.7 Å²	55.7	46%	0.463	28%	0.277	S	S	.	.	H	α-helix	trans	-63.8	-39.9	177.9	-172.4	168.3	-13.7	0	0	111.7	K15 T16 I17 S22 N23 G24 M26	K15-Q19 VanDerWaalsContact O-CB 3.3Å; K15-Q19 WeakPolarHBondContact O-CB 3.39Å; K15-Q19 PolarHBondContact O-N 2.83Å; T16-Q19 PolarHBondContact O-N 2.95Å; I17-Q19 VanDerWaalsContact C-N 3.32Å; I17-Q19 PolarHBondContact O-N 3.44Å; Q19-S22 PolarHBondContact O-OG 2.78Å; Q19-N23 PolarHBondContact O-N 3.43Å; Q19-G24 PolarHBondContact O-N 3.44Å; Q19-M26 HydrophobicContact CB-CE 3.91Å; Q19-M26 HydrophobicContact CB-SD 4.27Å; Q19-M26 HydrophobicContact CG-CE 4.44Å
20	I	95.8	Very high	96.4	Very high	23 Å²	23	59.5 Å²	59.5	12%	0.118	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-51.8	175.9	-69.4	166.1	0	0	0	111.1	T16 I17 A18 S22 N23 L152 P154 I157 K158	T16-I20 HydrophobicContact CG2-CD1 4.07Å; T16-I20 WeakPolarHBondContact O-CG1 3.49Å; T16-I20 PolarHBondContact O-N 3.32Å; I17-I20 PolarHBondContact O-N 2.89Å; A18-I20 VanDerWaalsContact C-N 3.34Å; A18-I20 PolarHBondContact O-N 3.4Å; I20-S22 PolarHBondContact O-N 3Å; I20-N23 PolarHBondContact O-N 3.08Å; I20-N23 VanDerWaalsContact O-N 3.14Å; I20-L152 VanDerWaalsContact CD1-O 3.23Å; I20-L152 WeakPolarHBondContact CD1-O 3.09Å; I20-P154 HydrophobicContact CD1-CG 4.47Å; I20-P154 HydrophobicContact CG1-CG 4.38Å; I20-P154 HydrophobicContact CG2-CB 4.05Å; I20-I157 HydrophobicContact CB-CG2 4.29Å; I20-I157 HydrophobicContact CD1-CB 4.37Å; I20-I157 HydrophobicContact CD1-CG1 3.98Å; I20-I157 HydrophobicContact CG2-CB 4.02Å; I20-I157 HydrophobicContact CG2-CG2 3.84Å; I20-K158 HydrophobicContact CG2-CG 4.36Å
21	L	97.4	Very high	96.4	Very high	30 Å²	30	57.3 Å²	57.3	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-67.7	-35.9	-175	-67.2	178.7	0	0	0	112.3	M6 I17 A18 N23 F41 W114 I157 M161	M6-L21 HydrophobicContact CE-CD1 4.27Å; M6-L21 HydrophobicContact SD-CD1 4.28Å; I17-L21 HydrophobicContact CG2-CD1 3.78Å; I17-L21 HydrophobicContact CG2-CG 4.24Å; I17-L21 WeakPolarHBondContact O-CG 3.5Å; I17-L21 PolarHBondContact O-N 2.89Å; A18-L21 PolarHBondContact O-N 3.38Å; L21-N23 VanDerWaalsContact C-N 3.27Å; L21-N23 PolarHBondContact O-N 3.41Å; L21-F41 HydrophobicContact CB-CE2 3.87Å; L21-F41 HydrophobicContact CB-CZ 3.66Å; L21-F41 HydrophobicContact CD1-CZ 4.38Å; L21-W114 HydrophobicContact CD1-CH2 4.35Å; L21-W114 HydrophobicContact CD1-CZ2 3.8Å; L21-I157 HydrophobicContact CD2-CG2 3.83Å; L21-I157 HydrophobicContact CG-CG2 3.97Å; L21-M161 HydrophobicContact CD1-SD 4.49Å; L21-M161 HydrophobicContact CD2-CB 3.88Å; L21-M161 HydrophobicContact CD2-CG 4.06Å
22	S	97.4	Very high	96.4	Very high	7 Å²	7	59.3 Å²	59.3	5%	0.049	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-7.4	175.1	66.1	0	0	0	0	113.8	A18 Q19 I20 G24 R25 M26	A18-S22 WeakPolarHBondContact O-CB 3.4Å; A18-S22 PolarHBondContact O-N 3.31Å; A18-S22 PolarHBondContact O-OG 2.93Å; Q19-S22 PolarHBondContact O-OG 2.78Å; I20-S22 PolarHBondContact O-N 3Å; S22-G24 PolarHBondContact O-N 2.88Å; S22-G24 PolarHBondContact OG-N 2.9Å; S22-R25 WeakPolarHBondContact O-CB 3.42Å; S22-R25 PolarHBondContact O-N 2.99Å; S22-R25 VanDerWaalsContact O-N 3.12Å; S22-R25 PolarHBondContact OG-N 3.03Å; S22-M26 PolarHBondContact OG-N 3.29Å
23	N	95.7	Very high	96.4	Very high	92 Å²	92	57.4 Å²	57.4	49%	0.492	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	46.4	-165.8	-53.7	-77.6	0	0	0	111.4	Q19 I20 L21 R25 K158	Q19-N23 PolarHBondContact O-N 3.43Å; I20-N23 PolarHBondContact O-N 3.08Å; I20-N23 VanDerWaalsContact O-N 3.14Å; L21-N23 VanDerWaalsContact C-N 3.27Å; L21-N23 PolarHBondContact O-N 3.41Å; N23-R25 VanDerWaalsContact C-N 3.3Å; N23-R25 PolarHBondContact O-N 3.23Å; N23-K158 PolarHBondContact OD1-NZ 3.08Å
24	G	94.5	Very high	96.4	Very high	48 Å²	48	64 Å²	64	50%	0.495	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-1.5	-179.9	0	0	0	0	0	115.9	Q19 S22 M26	Q19-G24 PolarHBondContact O-N 3.44Å; S22-G24 PolarHBondContact O-N 2.88Å; S22-G24 PolarHBondContact OG-N 2.9Å; G24-M26 VanDerWaalsContact C-N 3.33Å; G24-M26 PolarHBondContact O-N 3.15Å
25	R	95.2	Very high	96.2	Very high	197 Å²	197	65.5 Å²	65.5	74%	0.743	32%	0.322	S	S	*	.			trans	-93.4	31.7	-175.6	-65.2	178.7	-86.9	177.3	-8.5	114.1	S22 N23	S22-R25 WeakPolarHBondContact O-CB 3.42Å; S22-R25 PolarHBondContact O-N 2.99Å; S22-R25 VanDerWaalsContact O-N 3.12Å; S22-R25 PolarHBondContact OG-N 3.03Å; N23-R25 VanDerWaalsContact C-N 3.3Å; N23-R25 PolarHBondContact O-N 3.23Å
26	M	97.1	Very high	96.3	Very high	36 Å²	36	60.7 Å²	60.7	18%	0.177	30%	0.301	C	S	.	.			trans	-88.1	145.6	177.3	65.8	-179.9	-175.5	0	0	112.5	K15 A18 Q19 S22 G24 H39 E40 F41	K15-M26 HydrophobicContact CG-CE 4.03Å; A18-M26 HydrophobicContact CB-SD 3.5Å; A18-M26 VanDerWaalsContact CB-SD 3.5Å; Q19-M26 HydrophobicContact CB-CE 3.91Å; Q19-M26 HydrophobicContact CB-SD 4.27Å; Q19-M26 HydrophobicContact CG-CE 4.44Å; S22-M26 PolarHBondContact OG-N 3.29Å; G24-M26 VanDerWaalsContact C-N 3.33Å; G24-M26 PolarHBondContact O-N 3.15Å; M26-H39 HydrophobicContact SD-CB 3.82Å; M26-E40 WeakPolarHBondContact CA-O 3.33Å; M26-F41 HydrophobicContact CB-CB 4.43Å; M26-F41 HydrophobicContact CB-CD1 4.2Å
27	Q	97.9	Very high	96.5	Very high	159 Å²	159	60.2 Å²	60.2	74%	0.743	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	139.1	164.2	-63.9	-172.2	12.1	0	0	109.4	H39 E40	Q27-H39 CarbonylContact O-C 3.59Å; Q27-H39 WeakPolarHBondContact O-CA 3.29Å; Q27-E40 PolarHBondContact N-O 3.01Å; Q27-E40 PolarHBondContact O-N 2.93Å
28	T	98.2	Very high	96.5	Very high	79 Å²	79	60.2 Å²	60.2	49%	0.485	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.1	-178.4	-59.2	0	0	0	0	110.6	I38 H39	T28-I38 CarbonylContact C-O 3.51Å; T28-I38 VanDerWaalsContact CA-O 3.3Å; T28-I38 WeakPolarHBondContact CA-O 3.43Å; T28-H39 WeakPolarHBondContact CG2-ND1 3.37Å; T28-H39 PolarHBondContact OG1-ND1 2.78Å
29	R	97.4	Very high	96.6	Very high	95 Å²	95	60.5 Å²	60.5	36%	0.358	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	157.5	167.3	65.5	172.4	174.7	89.4	0.9	111.2	S37 I38 E40 E104	R29-S37 WeakPolarHBondContact O-CA 3.45Å; R29-I38 HydrophobicContact CG-CB 3.99Å; R29-I38 HydrophobicContact CG-CD1 4.41Å; R29-I38 PolarHBondContact N-O 3.48Å; R29-I38 PolarHBondContact O-N 3.47Å; R29-E40 IonicContact CZ-OE1 2.78Å; R29-E40 IonicContact NE-OE1 3.71Å; R29-E40 PolarHBondContact NE-OE1 2.83Å; R29-E40 IonicContact NH2-OE1 3.77Å; R29-E40 PolarHBondContact NH2-OE1 3.28Å; R29-E104 IonicContact CZ-OE1 2.8Å; R29-E104 IonicContact CZ-OE2 2.92Å; R29-E104 IonicContact NH1-OE1 3.41Å; R29-E104 PolarHBondContact NH1-OE1 3.02Å; R29-E104 IonicContact NH1-OE2 3.26Å; R29-E104 IonicContact NH2-OE1 3.49Å; R29-E104 IonicContact NH2-OE2 3.69Å; R29-E104 PolarHBondContact NH2-OE2 3.43Å
30	K	97.1	Very high	96.6	Very high	100 Å²	100	58.2 Å²	58.2	44%	0.435	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	137.5	177.6	-156.3	69.8	-169.4	165.2	0	111	Q34 A35 S37	K30-Q34 WeakPolarHBondContact CE-O 3.37Å; K30-Q34 PolarHBondContact NZ-O 3.04Å; K30-Q34 VanDerWaalsContact NZ-O 3.15Å; K30-A35 PolarHBondContact NZ-O 2.99Å; K30-S37 PolarHBondContact NZ-OG 2.8Å
31	G	96	Very high	96.7	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.01	29%	0.287	C	S	.	.			trans	-72	156.4	171.1	0	0	0	0	0	111.4	N33 Q34 C36 I38	G31-N33 PolarHBondContact O-N 3.45Å; G31-N33 VanDerWaalsContact O-N 3.12Å; G31-Q34 PolarHBondContact O-N 3.47Å; G31-C36 PolarHBondContact N-O 2.95Å; G31-I38 VanDerWaalsContact CA-CD1 3.42Å
32	F	96.4	Very high	96.7	Very high	87 Å²	87	61.5 Å²	61.5	38%	0.382	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.7	-179.9	75.2	-106.5	0	0	0	112.9	Q34 R96 K99 F100 S103	F32-Q34 PolarHBondContact O-N 2.83Å; F32-R96 HydrophobicContact CE2-CB 4.32Å; F32-K99 HydrophobicContact CZ-CB 4.23Å; F32-K99 HydrophobicContact CZ-CD 4.5Å; F32-K99 HydrophobicContact CZ-CG 4.05Å; F32-F100 HydrophobicContact CD1-CD2 4.12Å; F32-F100 VanDerWaalsContact CE1-CA 3.46Å; F32-F100 HydrophobicContact CE1-CB 3.97Å; F32-F100 AromaticContact CE1-CD2 3.99Å; F32-F100 HydrophobicContact CE1-CD2 3.99Å; F32-F100 VanDerWaalsContact CZ-CA 3.44Å; F32-F100 HydrophobicContact CZ-CB 3.75Å; F32-F100 HydrophobicContact CZ-CD2 4.46Å; F32-S103 WeakPolarHBondContact CE1-OG 3.34Å
33	N	93.7	Very high	96.7	Very high	19 Å²	19	62.1 Å²	62.1	10%	0.102	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-3.5	178.5	69.2	0.1	0	0	0	113.7	G31 A35 C36 L95 F100	G31-N33 PolarHBondContact O-N 3.45Å; G31-N33 VanDerWaalsContact O-N 3.12Å; N33-A35 PolarHBondContact O-N 3.43Å; N33-A35 PolarHBondContact OD1-N 2.79Å; N33-C36 PolarHBondContact OD1-N 3.22Å; N33-L95 WeakPolarHBondContact CB-O 3.24Å; N33-F100 WeakPolarHBondContact ND2-CG 3.27Å
34	Q	92.9	Very high	96.6	Very high	137 Å²	137	64.5 Å²	64.5	64%	0.64	32%	0.321	S	S	*	.	S	Bend	trans	60.8	-13	179.8	-55.7	-62.3	-32.7	0	0	116	K30 G31 F32	K30-Q34 WeakPolarHBondContact CE-O 3.37Å; K30-Q34 PolarHBondContact NZ-O 3.04Å; K30-Q34 VanDerWaalsContact NZ-O 3.15Å; G31-Q34 PolarHBondContact O-N 3.47Å; F32-Q34 PolarHBondContact O-N 2.83Å
35	A	95.2	Very high	96.5	Very high	32 Å²	32	62.8 Å²	62.8	26%	0.264	30%	0.3	S	S	.	.	S	Bend	trans	-82.7	-53.8	173	0	0	0	0	0	110.5	K30 N33 L95	K30-A35 PolarHBondContact NZ-O 2.99Å; N33-A35 PolarHBondContact O-N 3.43Å; N33-A35 PolarHBondContact OD1-N 2.79Å; A35-L95 HydrophobicContact CB-CD2 3.7Å
36	C	97.7	Very high	96.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.297	C	S	.	.			trans	-87.5	152.1	-175.1	-57.7	0	0	0	0	111.8	G31 N33 S56 F100	G31-C36 PolarHBondContact N-O 2.95Å; N33-C36 PolarHBondContact OD1-N 3.22Å; C36-S56 PolarHBondContact SG-O 3.33Å; C36-F100 HydrophobicContact CB-CD1 4.35Å; C36-F100 HydrophobicContact CB-CE1 3.55Å; C36-F100 HydrophobicContact CB-CE2 4.4Å; C36-F100 HydrophobicContact CB-CZ 3.58Å
37	S	98.1	Very high	95.7	Very high	24 Å²	24	59.8 Å²	59.8	17%	0.168	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	162	170.2	-61.5	0	0	0	0	109.3	R29 K30 T55	R29-S37 WeakPolarHBondContact O-CA 3.45Å; K30-S37 PolarHBondContact NZ-OG 2.8Å; S37-T55 WeakPolarHBondContact O-CB 3.31Å; S37-T55 PolarHBondContact O-OG1 3.28Å
38	I	98.5	Very high	95.5	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.2	174.6	-56.3	79	0	0	0	107.3	T28 R29 G31 E40 K53 M54 F100 E104	T28-I38 CarbonylContact C-O 3.51Å; T28-I38 VanDerWaalsContact CA-O 3.3Å; T28-I38 WeakPolarHBondContact CA-O 3.43Å; R29-I38 HydrophobicContact CG-CB 3.99Å; R29-I38 HydrophobicContact CG-CD1 4.41Å; R29-I38 PolarHBondContact N-O 3.48Å; R29-I38 PolarHBondContact O-N 3.47Å; G31-I38 VanDerWaalsContact CA-CD1 3.42Å; I38-E40 HydrophobicContact CG2-CG 3.81Å; I38-K53 HydrophobicContact CG2-CD 4.25Å; I38-K53 HydrophobicContact CG2-CG 3.39Å; I38-M54 CarbonylContact C-O 3.57Å; I38-M54 WeakPolarHBondContact CA-O 3.33Å; I38-F100 HydrophobicContact CD1-CE2 3.97Å; I38-F100 HydrophobicContact CD1-CZ 4.05Å; I38-F100 HydrophobicContact CG1-CZ 4.38Å; I38-E104 HydrophobicContact CG1-CG 4.31Å
39	H	98.5	Very high	95.4	Very high	6 Å²	6	59.9 Å²	59.9	3%	0.028	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.8	-179	-50.4	-76	0	0	0	109	A18 M26 Q27 T28 M54	A18-H39 HydrophobicContact CB-CB 3.5Å; M26-H39 HydrophobicContact SD-CB 3.82Å; Q27-H39 CarbonylContact O-C 3.59Å; Q27-H39 WeakPolarHBondContact O-CA 3.29Å; T28-H39 WeakPolarHBondContact CG2-ND1 3.37Å; T28-H39 PolarHBondContact OG1-ND1 2.78Å; H39-M54 HydrophobicContact CB-CB 4.25Å; H39-M54 PolarHBondContact N-O 3.28Å; H39-M54 PolarHBondContact O-N 3.02Å
40	E	98.4	Very high	95.4	Very high	51 Å²	51	55.4 Å²	55.4	24%	0.238	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.4	-170.4	-60	-176.8	-150.8	0	0	110.4	M26 Q27 R29 I38 H51 F52 K53	M26-E40 WeakPolarHBondContact CA-O 3.33Å; Q27-E40 PolarHBondContact N-O 3.01Å; Q27-E40 PolarHBondContact O-N 2.93Å; R29-E40 IonicContact CZ-OE1 2.78Å; R29-E40 IonicContact NE-OE1 3.71Å; R29-E40 PolarHBondContact NE-OE1 2.83Å; R29-E40 IonicContact NH2-OE1 3.77Å; R29-E40 PolarHBondContact NH2-OE1 3.28Å; I38-E40 HydrophobicContact CG2-CG 3.81Å; E40-H51 IonicContact OE2-NE2 3.52Å; E40-H51 PolarHBondContact OE2-NE2 3.23Å; E40-F52 VanDerWaalsContact CA-O 3.28Å; E40-F52 WeakPolarHBondContact CA-O 3.25Å; E40-K53 HydrophobicContact CG-CG 4.3Å
41	F	98.2	Very high	95.4	Very high	12 Å²	12	52.9 Å²	52.9	5%	0.053	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	157.1	178.7	58.2	-84.9	0	0	0	111.4	M6 A18 L21 M26 F52	M6-F41 HydrophobicContact CE-CE1 3.77Å; M6-F41 HydrophobicContact CE-CE2 4.38Å; M6-F41 HydrophobicContact CE-CZ 3.4Å; M6-F41 VanDerWaalsContact CE-CZ 3.4Å; A18-F41 HydrophobicContact CB-CE1 3.97Å; L21-F41 HydrophobicContact CB-CE2 3.87Å; L21-F41 HydrophobicContact CB-CZ 3.66Å; L21-F41 HydrophobicContact CD1-CZ 4.38Å; M26-F41 HydrophobicContact CB-CB 4.43Å; M26-F41 HydrophobicContact CB-CD1 4.2Å; F41-F52 HydrophobicContact CD1-CB 4.19Å; F41-F52 HydrophobicContact CD2-CB 4.02Å; F41-F52 AromaticContact CD2-CD2 3.85Å; F41-F52 HydrophobicContact CD2-CD2 3.85Å; F41-F52 HydrophobicContact CD2-CG 4.36Å; F41-F52 HydrophobicContact CE1-CB 3.95Å; F41-F52 HydrophobicContact CE2-CB 3.77Å; F41-F52 AromaticContact CE2-CD2 3.43Å; F41-F52 HydrophobicContact CE2-CD2 3.43Å; F41-F52 VanDerWaalsContact CE2-CD2 3.43Å; F41-F52 HydrophobicContact CE2-CE2 4.29Å; F41-F52 AromaticContact CE2-CG 3.84Å; F41-F52 HydrophobicContact CE2-CG 3.84Å; F41-F52 HydrophobicContact CG-CB 4.23Å; F41-F52 HydrophobicContact CZ-CB 3.75Å; F41-F52 HydrophobicContact CZ-CD2 4.1Å; F41-F52 HydrophobicContact CZ-CG 4.06Å; F41-F52 PolarHBondContact N-O 3.16Å; F41-F52 VanDerWaalsContact N-O 3.1Å; F41-F52 WeakPolarHBondContact O-CA 3.36Å; F41-F52 WeakPolarHBondContact O-CB 3.48Å; F41-F52 PolarHBondContact O-N 2.91Å
42	D	97.5	Very high	95.5	Very high	109 Å²	109	53.1 Å²	53.1	58%	0.583	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	148.7	175.1	-62.8	-27.4	0	0	0	111.3	M1 H51	M1-D42 HydrophobicContact CE-CB 4.28Å; M1-D42 WeakPolarHBondContact CE-OD1 3.37Å; D42-H51 IonicContact OD1-CE1 3.8Å; D42-H51 IonicContact OD1-CG 3.44Å; D42-H51 IonicContact OD1-ND1 2.74Å; D42-H51 PolarHBondContact OD1-ND1 3.31Å
43	G	95.7	Very high	95.6	Very high	20 Å²	20	50 Å²	50	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	-155.6	177	0	0	0	0	0	112.6	P49 V50	G43-P49 WeakPolarHBondContact O-CA 3.28Å; G43-V50 PolarHBondContact N-O 3.2Å; G43-V50 PolarHBondContact O-N 2.95Å
44	F	94.3	Very high	95.8	Very high	143 Å²	143	49.1 Å²	49.1	63%	0.627	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.5	-178.4	-64.9	-94.8	0	0	0	111.2	R48 P49	F44-R48 CarbonylContact C-O 3.02Å; F44-R48 VanDerWaalsContact CA-O 3.25Å; F44-R48 WeakPolarHBondContact CA-O 3.48Å; F44-P49 HydrophobicContact CD1-CB 4.49Å; F44-P49 HydrophobicContact CE1-CB 4.21Å
45	L	93.4	Very high	96.1	Very high	11 Å²	11	42.6 Å²	42.6	6%	0.058	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123	168.8	-178.1	69.6	0	0	0	107.9	V4 G47 R48 V50 F52 Y110 M161 L164	V4-L45 HydrophobicContact CG1-CD2 4.41Å; V4-L45 HydrophobicContact CG2-CD2 3.87Å; L45-G47 PolarHBondContact O-N 2.82Å; L45-R48 PolarHBondContact N-O 3Å; L45-R48 PolarHBondContact O-N 2.92Å; L45-V50 HydrophobicContact CB-CG1 3.87Å; L45-V50 HydrophobicContact CB-CG2 3.94Å; L45-F52 HydrophobicContact CB-CZ 4.22Å; L45-Y110 HydrophobicContact CD2-CD2 4.24Å; L45-Y110 HydrophobicContact CD2-CG 4.07Å; L45-M161 HydrophobicContact CD1-CE 3.77Å; L45-L164 HydrophobicContact CD1-CD1 3.57Å
46	C	86.7	Confident	96.3	Very high	102 Å²	102	41.1 Å²	41.1	69%	0.689	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	42.4	-176.8	-55.5	0	0	0	0	113	R48	C46-R48 PolarHBondContact O-N 3.37Å
47	G	88.4	Confident	96.3	Very high	69 Å²	69	41.1 Å²	41.1	71%	0.711	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	1.3	-179.8	0	0	0	0	0	115.8	L45	L45-G47 PolarHBondContact O-N 2.82Å
48	R	93	Very high	96.2	Very high	163 Å²	163	42.6 Å²	42.6	62%	0.615	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.8	178.2	-62.6	-177.8	180	-177.4	-0.3	111.1	F44 L45 C46 V50	F44-R48 CarbonylContact C-O 3.02Å; F44-R48 VanDerWaalsContact CA-O 3.25Å; F44-R48 WeakPolarHBondContact CA-O 3.48Å; L45-R48 PolarHBondContact N-O 3Å; L45-R48 PolarHBondContact O-N 2.92Å; C46-R48 PolarHBondContact O-N 3.37Å; R48-V50 PolarHBondContact O-N 3.12Å
49	P	96.6	Very high	96	Very high	76 Å²	76	43.2 Å²	43.2	49%	0.494	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	131.7	173.5	27.7	-33.3	0	0	0	110.2	M1 G43 F44	M1-P49 WeakPolarHBondContact CG-O 3.11Å; M1-P49 HydrophobicContact SD-CB 4.13Å; G43-P49 WeakPolarHBondContact O-CA 3.28Å; F44-P49 HydrophobicContact CD1-CB 4.49Å; F44-P49 HydrophobicContact CE1-CB 4.21Å
50	V	97.3	Very high	95.9	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.8	-178.2	-55.8	0	0	0	0	111.1	P2 V4 G43 L45 R48 F52	P2-V50 HydrophobicContact CG-CG1 3.99Å; P2-V50 WeakPolarHBondContact O-CA 3.43Å; V4-V50 HydrophobicContact CG2-CB 3.81Å; V4-V50 HydrophobicContact CG2-CG1 4.08Å; V4-V50 HydrophobicContact CG2-CG2 3.84Å; G43-V50 PolarHBondContact N-O 3.2Å; G43-V50 PolarHBondContact O-N 2.95Å; L45-V50 HydrophobicContact CB-CG1 3.87Å; L45-V50 HydrophobicContact CB-CG2 3.94Å; R48-V50 PolarHBondContact O-N 3.12Å; V50-F52 HydrophobicContact CG2-CD1 4.23Å; V50-F52 HydrophobicContact CG2-CD2 3.98Å; V50-F52 HydrophobicContact CG2-CE1 3.72Å; V50-F52 HydrophobicContact CG2-CE2 3.46Å; V50-F52 VanDerWaalsContact CG2-CE2 3.46Å; V50-F52 HydrophobicContact CG2-CG 4.33Å; V50-F52 HydrophobicContact CG2-CZ 3.29Å
51	H	97.9	Very high	95.9	Very high	46 Å²	46	43.3 Å²	43.3	21%	0.213	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	116.8	169.1	-172.2	65.4	0	0	0	109.4	M1 P2 T3 V4 E40 D42	M1-H51 HydrophobicContact CE-CB 3.66Å; P2-H51 PolarHBondContact O-N 3.46Å; T3-H51 CarbonylContact C-O 3.53Å; T3-H51 VanDerWaalsContact CA-O 3.3Å; T3-H51 WeakPolarHBondContact CA-O 3.42Å; V4-H51 PolarHBondContact N-O 2.92Å; E40-H51 IonicContact OE2-NE2 3.52Å; E40-H51 PolarHBondContact OE2-NE2 3.23Å; D42-H51 IonicContact OD1-CE1 3.8Å; D42-H51 IonicContact OD1-CG 3.44Å; D42-H51 IonicContact OD1-ND1 2.74Å; D42-H51 PolarHBondContact OD1-ND1 3.31Å
52	F	98.2	Very high	95.9	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	140.1	177.8	-72.9	-66.1	0	0	0	111.9	V4 M6 E40 F41 L45 V50 M161	V4-F52 HydrophobicContact CB-CD1 3.65Å; V4-F52 HydrophobicContact CB-CE1 3.81Å; V4-F52 HydrophobicContact CG1-CD1 3.87Å; V4-F52 HydrophobicContact CG1-CE1 3.8Å; V4-F52 HydrophobicContact CG2-CD1 4.28Å; V4-F52 HydrophobicContact CG2-CE1 4.04Å; M6-F52 HydrophobicContact CE-CB 3.56Å; M6-F52 HydrophobicContact CE-CD1 3.56Å; M6-F52 HydrophobicContact CE-CE1 4.45Å; M6-F52 HydrophobicContact CE-CG 3.67Å; M6-F52 HydrophobicContact CG-CD1 4.03Å; M6-F52 HydrophobicContact SD-CD1 3.55Å; M6-F52 VanDerWaalsContact SD-CD1 3.55Å; M6-F52 HydrophobicContact SD-CE1 3.97Å; M6-F52 HydrophobicContact SD-CG 4.26Å; E40-F52 VanDerWaalsContact CA-O 3.28Å; E40-F52 WeakPolarHBondContact CA-O 3.25Å; F41-F52 HydrophobicContact CD1-CB 4.19Å; F41-F52 HydrophobicContact CD2-CB 4.02Å; F41-F52 AromaticContact CD2-CD2 3.85Å; F41-F52 HydrophobicContact CD2-CD2 3.85Å; F41-F52 HydrophobicContact CD2-CG 4.36Å; F41-F52 HydrophobicContact CE1-CB 3.95Å; F41-F52 HydrophobicContact CE2-CB 3.77Å; F41-F52 AromaticContact CE2-CD2 3.43Å; F41-F52 HydrophobicContact CE2-CD2 3.43Å; F41-F52 VanDerWaalsContact CE2-CD2 3.43Å; F41-F52 HydrophobicContact CE2-CE2 4.29Å; F41-F52 AromaticContact CE2-CG 3.84Å; F41-F52 HydrophobicContact CE2-CG 3.84Å; F41-F52 HydrophobicContact CG-CB 4.23Å; F41-F52 HydrophobicContact CZ-CB 3.75Å; F41-F52 HydrophobicContact CZ-CD2 4.1Å; F41-F52 HydrophobicContact CZ-CG 4.06Å; F41-F52 PolarHBondContact N-O 3.16Å; F41-F52 VanDerWaalsContact N-O 3.1Å; F41-F52 WeakPolarHBondContact O-CA 3.36Å; F41-F52 WeakPolarHBondContact O-CB 3.48Å; F41-F52 PolarHBondContact O-N 2.91Å; L45-F52 HydrophobicContact CB-CZ 4.22Å; V50-F52 HydrophobicContact CG2-CD1 4.23Å; V50-F52 HydrophobicContact CG2-CD2 3.98Å; V50-F52 HydrophobicContact CG2-CE1 3.72Å; V50-F52 HydrophobicContact CG2-CE2 3.46Å; V50-F52 VanDerWaalsContact CG2-CE2 3.46Å; V50-F52 HydrophobicContact CG2-CG 4.33Å; V50-F52 HydrophobicContact CG2-CZ 3.29Å; F52-M161 HydrophobicContact CE1-CE 3.49Å; F52-M161 VanDerWaalsContact CE1-CE 3.49Å; F52-M161 HydrophobicContact CE2-CE 4.18Å; F52-M161 HydrophobicContact CZ-CE 3.2Å
53	K	97.8	Very high	95.8	Very high	23 Å²	23	42.4 Å²	42.4	10%	0.1	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	94.3	175.7	-173.7	-179.5	-175.1	179.2	0	108.7	T3 V4 L5 M6 I38 E40 E104	T3-K53 HydrophobicContact CG2-CB 4.36Å; V4-K53 PolarHBondContact O-N 2.89Å; L5-K53 WeakPolarHBondContact CA-O 3.32Å; L5-K53 HydrophobicContact CD1-CD 4.32Å; L5-K53 HydrophobicContact CD1-CG 4.33Å; M6-K53 PolarHBondContact N-O 3Å; I38-K53 HydrophobicContact CG2-CD 4.25Å; I38-K53 HydrophobicContact CG2-CG 3.39Å; E40-K53 HydrophobicContact CG-CG 4.3Å; K53-E104 WeakPolarHBondContact CE-OE2 3.17Å; K53-E104 PolarHBondContact NZ-O 3.28Å; K53-E104 IonicContact NZ-OE2 3.55Å; K53-E104 PolarHBondContact NZ-OE2 3.38Å
54	M	98.5	Very high	95.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.7	179.8	175.5	70.4	83.8	0	0	111.1	M6 A8 A14 I17 A18 I38 H39 W114	M6-M54 HydrophobicContact CB-CB 4.18Å; M6-M54 HydrophobicContact CB-CE 3.69Å; M6-M54 HydrophobicContact CB-CG 4.47Å; M6-M54 HydrophobicContact CB-SD 3.51Å; M6-M54 VanDerWaalsContact CB-SD 3.51Å; M6-M54 HydrophobicContact CE-CB 3.89Å; M6-M54 HydrophobicContact CE-CE 3.91Å; M6-M54 CarbonylContact O-C 3.17Å; M6-M54 WeakPolarHBondContact O-CA 3.46Å; M6-M54 HydrophobicContact SD-CE 4.08Å; A8-M54 HydrophobicContact CB-SD 4.49Å; A14-M54 HydrophobicContact CB-CG 3.94Å; A14-M54 HydrophobicContact CB-SD 4.29Å; A14-M54 WeakPolarHBondContact O-CG 3.49Å; I17-M54 HydrophobicContact CB-CE 3.85Å; I17-M54 HydrophobicContact CG2-CE 3.34Å; A18-M54 HydrophobicContact CB-CB 3.97Å; A18-M54 HydrophobicContact CB-CG 3.95Å; I38-M54 CarbonylContact C-O 3.57Å; I38-M54 WeakPolarHBondContact CA-O 3.33Å; H39-M54 HydrophobicContact CB-CB 4.25Å; H39-M54 PolarHBondContact N-O 3.28Å; H39-M54 PolarHBondContact O-N 3.02Å; M54-W114 HydrophobicContact CE-CB 4.43Å; M54-W114 HydrophobicContact CE-CD2 4.34Å; M54-W114 HydrophobicContact CE-CG 3.92Å
55	T	98.6	Very high	95.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	-166.6	170.8	-163.8	0	0	0	0	110.3	L5 M6 V7 A8 A14 S37 F100	L5-T55 HydrophobicContact CD1-CG2 4.05Å; M6-T55 PolarHBondContact O-N 2.77Å; V7-T55 WeakPolarHBondContact CA-O 3.37Å; V7-T55 HydrophobicContact CG2-CG2 4.32Å; A8-T55 PolarHBondContact N-O 2.69Å; A14-T55 WeakPolarHBondContact CB-O 3.23Å; S37-T55 WeakPolarHBondContact O-CB 3.31Å; S37-T55 PolarHBondContact O-OG1 3.28Å; T55-F100 HydrophobicContact CG2-CE1 4.15Å; T55-F100 HydrophobicContact CG2-CZ 4.39Å; T55-F100 WeakPolarHBondContact OG1-CE1 3.49Å; T55-F100 VanDerWaalsContact OG1-CZ 3.26Å; T55-F100 WeakPolarHBondContact OG1-CZ 3.37Å
56	S	98.6	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	162.5	-176.2	59.2	0	0	0	0	113.3	A8 K10 P11 C36	A8-S56 CarbonylContact O-C 3.57Å; A8-S56 WeakPolarHBondContact O-CA 3.29Å; A8-S56 WeakPolarHBondContact O-CB 3.31Å; K10-S56 VanDerWaalsContact C-CB 3.46Å; K10-S56 WeakPolarHBondContact O-CB 3.32Å; P11-S56 VanDerWaalsContact CA-OG 3.24Å; P11-S56 WeakPolarHBondContact CA-OG 3.37Å; C36-S56 PolarHBondContact SG-O 3.33Å
57	T	98	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.192	C	C	.	.			trans	-83.5	-160.5	154.9	68.2	0	0	0	0	110.5	V7 A8 E9 G59 V61 L101 I124 V128	V7-T57 HydrophobicContact CG1-CG2 4.01Å; A8-T57 PolarHBondContact O-N 3.42Å; E9-T57 CarbonylContact O-C 3.54Å; E9-T57 PolarHBondContact O-OG1 2.9Å; T57-G59 WeakPolarHBondContact CB-O 3.27Å; T57-G59 PolarHBondContact OG1-O 2.93Å; T57-V61 HydrophobicContact CG2-CG2 3.53Å; T57-L101 HydrophobicContact CG2-CD1 4.16Å; T57-L101 HydrophobicContact CG2-CD2 4.48Å; T57-I124 HydrophobicContact CG2-CG2 4.41Å; T57-V128 HydrophobicContact CG2-CG2 3.57Å
58	C	96.6	Very high	96.4	Very high	55 Å²	55	38.8 Å²	38.8	37%	0.372	20%	0.196	S	C	.	.	S	Bend	trans	-135.9	51.8	171.5	-71	0	0	0	0	109.2	E9 L95 M97	E9-C58 PolarHBondContact O-N 2.99Å; C58-L95 HydrophobicContact CB-CD1 3.92Å; C58-M97 HydrophobicContact CB-CE 4.05Å
59	G	94.9	Very high	96.3	Very high	14 Å²	14	37.4 Å²	37.4	14%	0.144	20%	0.196	C	C	.	.	S	Bend	trans	84.2	-151.8	-162.3	0	0	0	0	0	111.5	E9 T57 V61	E9-G59 PolarHBondContact O-N 2.8Å; T57-G59 WeakPolarHBondContact CB-O 3.27Å; T57-G59 PolarHBondContact OG1-O 2.93Å; G59-V61 PolarHBondContact O-N 2.83Å
60	H	96.3	Very high	96	Very high	54 Å²	54	36.1 Å²	36.1	25%	0.25	18%	0.182	C	C	.	.			trans	-52	129	175.5	-87	-80.7	0	0	0	112.2	M62 A91 E120 N123 E127	H60-M62 WeakPolarHBondContact CB-O 3.41Å; H60-A91 WeakPolarHBondContact O-CB 3.41Å; H60-E120 IonicContact CE1-OE2 3.27Å; H60-E120 IonicContact NE2-OE2 3.45Å; H60-E120 PolarHBondContact NE2-OE2 2.85Å; H60-N123 PolarHBondContact CE1-OD1 3.3Å; H60-E127 IonicContact CE1-OE1 2.62Å; H60-E127 IonicContact ND1-OE1 2.72Å; H60-E127 PolarHBondContact ND1-OE1 2.8Å; H60-E127 VanDerWaalsContact ND1-OE1 3.11Å; H60-E127 IonicContact ND1-OE2 2.74Å
61	V	97.7	Very high	95.3	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.024	20%	0.196	C	C	.	.	S	Bend	trans	-76.4	-37.5	173.1	-178.7	0	0	0	0	109.2	T57 G59 E90 A91 M97 V98 L101 I124 E127 V128	T57-V61 HydrophobicContact CG2-CG2 3.53Å; G59-V61 PolarHBondContact O-N 2.83Å; V61-E90 WeakPolarHBondContact O-CA 3.12Å; V61-A91 PolarHBondContact O-N 3.47Å; V61-M97 HydrophobicContact CB-CG 4.39Å; V61-M97 HydrophobicContact CG1-CB 4.08Å; V61-M97 HydrophobicContact CG1-CG 3.9Å; V61-M97 HydrophobicContact CG2-CG 3.96Å; V61-V98 HydrophobicContact CG1-CG2 3.74Å; V61-L101 HydrophobicContact CG2-CD1 4.14Å; V61-I124 HydrophobicContact CG2-CG2 4.34Å; V61-E127 WeakPolarHBondContact CA-OE2 3.5Å; V61-E127 HydrophobicContact CB-CB 4.1Å; V61-E127 WeakPolarHBondContact CB-OE2 3.27Å; V61-E127 HydrophobicContact CG2-CB 4.37Å; V61-E127 PolarHBondContact N-OE2 2.92Å; V61-V128 HydrophobicContact CG2-CG2 4.48Å
62	M	97.4	Very high	94.7	Very high	38 Å²	38	39.5 Å²	39.5	19%	0.187	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	157.2	-176	-49.5	-63.4	-82.1	0	0	111.9	H60 K88 E89 E90 V98 E127	H60-M62 WeakPolarHBondContact CB-O 3.41Å; M62-K88 HydrophobicContact CB-CB 4.06Å; M62-K88 HydrophobicContact CB-CD 4.27Å; M62-K88 HydrophobicContact CB-CG 4.5Å; M62-K88 HydrophobicContact CE-CB 3.71Å; M62-K88 WeakPolarHBondContact CE-O 3.35Å; M62-K88 HydrophobicContact CG-CB 4.42Å; M62-E89 CarbonylContact C-O 3.58Å; M62-E89 VanDerWaalsContact CA-O 3.22Å; M62-E89 WeakPolarHBondContact CA-O 3.21Å; M62-E90 HydrophobicContact SD-CG 4.44Å; M62-V98 HydrophobicContact SD-CG2 3.85Å; M62-E127 HydrophobicContact CB-CG 4.37Å; M62-E127 WeakPolarHBondContact CB-OE1 3.48Å; M62-E127 HydrophobicContact CG-CB 4.33Å; M62-E127 HydrophobicContact CG-CG 4.08Å; M62-E127 PolarHBondContact N-OE2 3.26Å; M62-E127 VanDerWaalsContact N-OE2 3.11Å
63	T	96.2	Very high	94.1	Very high	64 Å²	64	44.3 Å²	44.3	39%	0.393	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.8	166.8	-169.1	0	0	0	0	108.4	K88 E89	T63-K88 WeakPolarHBondContact O-CA 3.35Å; T63-E89 HydrophobicContact CG2-CG 3.77Å; T63-E89 PolarHBondContact N-O 2.76Å; T63-E89 PolarHBondContact O-N 2.96Å
64	L	95.6	Very high	93.2	Very high	22 Å²	22	49.7 Å²	49.7	12%	0.115	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.1	179.6	-163.8	74.8	0	0	0	110	V86 K88 Q179 E180 L183	L64-V86 HydrophobicContact CD1-CB 3.98Å; L64-V86 HydrophobicContact CD1-CG2 4Å; L64-V86 HydrophobicContact CD2-CB 4.32Å; L64-V86 HydrophobicContact CD2-CG1 4.45Å; L64-V86 HydrophobicContact CD2-CG2 4.36Å; L64-V86 HydrophobicContact CG-CB 4.1Å; L64-V86 HydrophobicContact CG-CG2 4.45Å; L64-K88 HydrophobicContact CD1-CG 3.87Å; L64-Q179 HydrophobicContact CD2-CB 4.39Å; L64-E180 VanDerWaalsContact CD2-CA 3.43Å; L64-E180 HydrophobicContact CD2-CB 3.6Å; L64-E180 HydrophobicContact CD2-CG 4.09Å; L64-L183 HydrophobicContact CB-CD2 4.45Å; L64-L183 HydrophobicContact CD2-CD2 4.07Å; L64-L183 HydrophobicContact CG-CD2 4.06Å
65	N	95.5	Very high	92.5	Very high	39 Å²	39	59.7 Å²	59.7	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	169.2	177.6	-153.6	-12.6	0	0	0	111.3	V86 V87 E89	N65-V86 WeakPolarHBondContact O-CA 3.37Å; N65-V87 PolarHBondContact N-O 2.76Å; N65-V87 PolarHBondContact O-N 2.97Å; N65-E89 HydrophobicContact CB-CG 4.3Å; N65-E89 WeakPolarHBondContact CB-OE1 3.45Å; N65-E89 PolarHBondContact ND2-OE1 3Å
66	F	95.3	Very high	92.1	Very high	2 Å²	2	61 Å²	61	1%	0.009	29%	0.294	C	S	.	.			trans	-80.4	150.3	166	-60.9	-74.2	0	0	0	110.8	L81 A84 V86 L183 R184 C187	F66-L81 HydrophobicContact CD1-CD2 4.3Å; F66-L81 HydrophobicContact CD2-CD2 4.27Å; F66-L81 HydrophobicContact CE1-CB 4.3Å; F66-L81 HydrophobicContact CE1-CD2 4.15Å; F66-L81 HydrophobicContact CE2-CD1 4.47Å; F66-L81 HydrophobicContact CE2-CD2 4.12Å; F66-L81 HydrophobicContact CG-CD2 4.34Å; F66-L81 HydrophobicContact CZ-CB 3.91Å; F66-L81 HydrophobicContact CZ-CD2 4.04Å; F66-L81 HydrophobicContact CZ-CG 4.42Å; F66-A84 HydrophobicContact CD1-CB 3.86Å; F66-A84 HydrophobicContact CE1-CB 3.94Å; F66-V86 HydrophobicContact CD1-CG1 4.13Å; F66-V86 HydrophobicContact CE1-CG1 4.07Å; F66-L183 HydrophobicContact CD2-CD1 4.35Å; F66-L183 HydrophobicContact CD2-CD2 4.41Å; F66-L183 HydrophobicContact CD2-CG 4.37Å; F66-L183 HydrophobicContact CE2-CD1 4Å; F66-L183 HydrophobicContact CE2-CD2 4.2Å; F66-L183 HydrophobicContact CE2-CG 3.79Å; F66-L183 HydrophobicContact CZ-CD2 4.38Å; F66-L183 HydrophobicContact CZ-CG 4.1Å; F66-R184 HydrophobicContact CE1-CG 4.31Å; F66-R184 HydrophobicContact CZ-CG 4.14Å; F66-C187 HydrophobicContact CE2-CB 3.91Å
67	P	93.8	Very high	91.8	Very high	24 Å²	24	64.9 Å²	64.9	16%	0.156	32%	0.315	C	S	.	.			trans	-54.9	149.8	169.8	-26.6	34.4	0	0	0	111.7	Q69 Y70 P85 V87	P67-Q69 HydrophobicContact CB-CG 4.29Å; P67-Q69 PolarHBondContact O-N 3.32Å; P67-Y70 HydrophobicContact CB-CD2 4.27Å; P67-Y70 HydrophobicContact CG-CD2 4.35Å; P67-Y70 PolarHBondContact O-N 3.34Å; P67-P85 WeakPolarHBondContact CD-O 3.42Å; P67-P85 HydrophobicContact CG-CB 4.45Å; P67-P85 HydrophobicContact CG-CG 4.03Å; P67-V87 HydrophobicContact CG-CG1 3.99Å; P67-V87 HydrophobicContact CG-CG2 4.32Å
68	K	90.7	Very high	91.7	Very high	183 Å²	183	65 Å²	65	80%	0.796	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-50.3	-32.6	-174	-67.4	-178.3	179.7	176.2	0	114.7	Y70 N71	K68-Y70 PolarHBondContact O-N 2.93Å; K68-N71 WeakPolarHBondContact O-CB 3.45Å; K68-N71 PolarHBondContact O-N 3.06Å; K68-N71 VanDerWaalsContact O-N 3.1Å
69	Q	89.9	Confident	91.7	Very high	133 Å²	133	62.9 Å²	62.9	62%	0.621	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-60.6	-29.8	177	68.7	-153.4	37.2	0	0	113.4	P67	P67-Q69 HydrophobicContact CB-CG 4.29Å; P67-Q69 PolarHBondContact O-N 3.32Å
70	Y	91.3	Very high	91.7	Very high	49 Å²	49	66.4 Å²	66.4	19%	0.192	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-87.2	-3.7	177.6	-68.9	-82.6	0	0	0	113.3	P67 K68 N72 I76 L81 A84 P85 R191	P67-Y70 HydrophobicContact CB-CD2 4.27Å; P67-Y70 HydrophobicContact CG-CD2 4.35Å; P67-Y70 PolarHBondContact O-N 3.34Å; K68-Y70 PolarHBondContact O-N 2.93Å; Y70-N72 VanDerWaalsContact C-N 3.34Å; Y70-I76 HydrophobicContact CD1-CD1 4.05Å; Y70-I76 HydrophobicContact CD1-CG2 4.02Å; Y70-L81 HydrophobicContact CD1-CD2 4.2Å; Y70-A84 HydrophobicContact CD1-CB 3.82Å; Y70-A84 HydrophobicContact CD2-CB 4.32Å; Y70-A84 HydrophobicContact CE1-CB 3.63Å; Y70-A84 HydrophobicContact CE2-CB 4.15Å; Y70-A84 HydrophobicContact CG-CB 4.18Å; Y70-P85 HydrophobicContact CE2-CG 3.92Å; Y70-R191 PolarHBondContact O-NH1 3.04Å
71	N	83.6	Confident	91.7	Very high	58 Å²	58	63.9 Å²	63.9	31%	0.31	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-85.4	-4.7	-175.4	-69.5	-15	0	0	0	113.9	K68 W73	K68-N71 WeakPolarHBondContact O-CB 3.45Å; K68-N71 PolarHBondContact O-N 3.06Å; K68-N71 VanDerWaalsContact O-N 3.1Å; N71-W73 VanDerWaalsContact O-CD1 3.28Å; N71-W73 PolarHBondContact O-N 3.32Å
72	N	84.5	Confident	91.7	Very high	61 Å²	61	63.8 Å²	63.8	33%	0.326	31%	0.305	S	S	.	.			trans	-85.9	108.2	172.6	-172.6	-34.8	0	0	0	110	Y70 D74 R75 I76	Y70-N72 VanDerWaalsContact C-N 3.34Å; N72-D74 PolarHBondContact O-N 3.18Å; N72-D74 PolarHBondContact OD1-N 3.49Å; N72-R75 HydrophobicContact CB-CB 4.37Å; N72-R75 PolarHBondContact O-N 2.56Å; N72-R75 PolarHBondContact OD1-N 2.77Å; N72-I76 VanDerWaalsContact O-CG1 3.29Å; N72-I76 WeakPolarHBondContact O-CG1 3.44Å; N72-I76 PolarHBondContact O-N 2.69Å
73	W	84.3	Confident	91.6	Very high	107 Å²	107	68.6 Å²	68.6	41%	0.405	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.9	-174.7	-68.1	31.9	0	0	0	113	N71 T190 R191 T194	N71-W73 VanDerWaalsContact O-CD1 3.28Å; N71-W73 PolarHBondContact O-N 3.32Å; W73-T190 HydrophobicContact CH2-CG2 4.2Å; W73-R191 HydrophobicContact CD2-CB 4.31Å; W73-R191 HydrophobicContact CD2-CG 3.57Å; W73-R191 HydrophobicContact CE3-CB 4.03Å; W73-R191 HydrophobicContact CE3-CG 3.61Å; W73-R191 HydrophobicContact CG-CG 4.2Å; W73-R191 HydrophobicContact CH2-CG 3.82Å; W73-R191 HydrophobicContact CZ2-CG 3.79Å; W73-R191 HydrophobicContact CZ3-CB 4.28Å; W73-R191 HydrophobicContact CZ3-CG 3.73Å; W73-T194 HydrophobicContact CE3-CG2 4.41Å; W73-T194 HydrophobicContact CZ3-CG2 4.04Å
74	D	79.6	Confident	91.5	Very high	137 Å²	137	65.7 Å²	65.7	73%	0.733	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-27.2	-177.4	-57.4	-40	0	0	0	112.3	N72	N72-D74 PolarHBondContact O-N 3.18Å; N72-D74 PolarHBondContact OD1-N 3.49Å
75	R	84.3	Confident	91.5	Very high	210 Å²	210	67.7 Å²	67.7	79%	0.792	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-21.5	-173.5	-68.6	-173.5	177.9	-176.5	-1.5	114.5	N72	N72-R75 HydrophobicContact CB-CB 4.37Å; N72-R75 PolarHBondContact O-N 2.56Å; N72-R75 PolarHBondContact OD1-N 2.77Å
76	I	90.1	Very high	91.5	Very high	28 Å²	28	67.5 Å²	67.5	14%	0.144	33%	0.329	C	S	.	.	S	Bend	trans	-100.3	130.3	-172.2	-60.1	-66.7	0	0	0	108.6	Y70 N72 P78 L81 R195	Y70-I76 HydrophobicContact CD1-CD1 4.05Å; Y70-I76 HydrophobicContact CD1-CG2 4.02Å; N72-I76 VanDerWaalsContact O-CG1 3.29Å; N72-I76 WeakPolarHBondContact O-CG1 3.44Å; N72-I76 PolarHBondContact O-N 2.69Å; I76-P78 WeakPolarHBondContact O-CD 3.49Å; I76-L81 HydrophobicContact CG2-CD2 4.05Å; I76-L81 HydrophobicContact CG2-CG 4.48Å; I76-R195 PolarHBondContact O-NH1 3.15Å
77	D	93.3	Very high	91.5	Very high	80 Å²	80	70.4 Å²	70.4	43%	0.428	35%	0.346	S	S	.	.			trans	-67.9	122.7	167.6	-165.5	-36.9	0	0	0	108.3	A79 D80	D77-A79 PolarHBondContact O-N 2.84Å; D77-A79 VanDerWaalsContact O-N 3.09Å; D77-A79 WeakPolarHBondContact OD1-CB 3.23Å; D77-A79 PolarHBondContact OD1-N 3.17Å; D77-D80 WeakPolarHBondContact O-CB 3.47Å; D77-D80 PolarHBondContact O-N 3.41Å
78	P	95.2	Very high	91.6	Very high	2 Å²	2	73 Å²	73	1%	0.013	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-55.8	-25	176.6	-24.2	34.3	0	0	0	113.8	I76 D80 L81 A188 R191 F192 F594	I76-P78 WeakPolarHBondContact O-CD 3.49Å; P78-D80 VanDerWaalsContact C-N 3.27Å; P78-D80 PolarHBondContact O-N 3.38Å; P78-L81 WeakPolarHBondContact O-CB 3.38Å; P78-L81 PolarHBondContact O-N 3.16Å; P78-A188 WeakPolarHBondContact CB-O 3.41Å; P78-A188 WeakPolarHBondContact O-CB 3.47Å; P78-R191 HydrophobicContact CB-CB 4.46Å; P78-R191 HydrophobicContact CG-CB 4.25Å; P78-F192 HydrophobicContact CB-CB 4.05Å; P78-F192 HydrophobicContact CG-CB 3.97Å; P78-F594 HydrophobicContact CB-CZ 3.93Å
79	A	95.8	Very high	91.8	Very high	12 Å²	12	68.1 Å²	68.1	10%	0.099	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-62.1	-32.5	173.9	0	0	0	0	0	112.9	D77 L81 F82 F594 F595	D77-A79 PolarHBondContact O-N 2.84Å; D77-A79 VanDerWaalsContact O-N 3.09Å; D77-A79 WeakPolarHBondContact OD1-CB 3.23Å; D77-A79 PolarHBondContact OD1-N 3.17Å; A79-L81 PolarHBondContact O-N 3.05Å; A79-F82 WeakPolarHBondContact O-CD2 3.47Å; A79-F82 PolarHBondContact O-N 2.62Å; A79-F594 HydrophobicContact CB-CD1 4.45Å; A79-F594 HydrophobicContact CB-CE1 3.89Å; A79-F595 HydrophobicContact CB-CZ 4.3Å
80	D	95.3	Very high	92.1	Very high	88 Å²	88	64.2 Å²	64.2	47%	0.471	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-67.8	-21.6	-179.1	-66.6	-25.9	0	0	0	112.1	D77 P78 F82 N83 A84	D77-D80 WeakPolarHBondContact O-CB 3.47Å; D77-D80 PolarHBondContact O-N 3.41Å; P78-D80 VanDerWaalsContact C-N 3.27Å; P78-D80 PolarHBondContact O-N 3.38Å; D80-F82 PolarHBondContact O-N 3.28Å; D80-N83 PolarHBondContact O-N 3.44Å; D80-A84 PolarHBondContact O-N 2.72Å
81	L	96.6	Very high	92.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-66.8	-19.6	-178.2	-60.7	179.6	0	0	0	113.5	F66 Y70 I76 P78 A79 N83 A84 R184 C187 A188	F66-L81 HydrophobicContact CD1-CD2 4.3Å; F66-L81 HydrophobicContact CD2-CD2 4.27Å; F66-L81 HydrophobicContact CE1-CB 4.3Å; F66-L81 HydrophobicContact CE1-CD2 4.15Å; F66-L81 HydrophobicContact CE2-CD1 4.47Å; F66-L81 HydrophobicContact CE2-CD2 4.12Å; F66-L81 HydrophobicContact CG-CD2 4.34Å; F66-L81 HydrophobicContact CZ-CB 3.91Å; F66-L81 HydrophobicContact CZ-CD2 4.04Å; F66-L81 HydrophobicContact CZ-CG 4.42Å; Y70-L81 HydrophobicContact CD1-CD2 4.2Å; I76-L81 HydrophobicContact CG2-CD2 4.05Å; I76-L81 HydrophobicContact CG2-CG 4.48Å; P78-L81 WeakPolarHBondContact O-CB 3.38Å; P78-L81 PolarHBondContact O-N 3.16Å; A79-L81 PolarHBondContact O-N 3.05Å; L81-N83 VanDerWaalsContact C-N 3.26Å; L81-N83 PolarHBondContact O-N 2.87Å; L81-A84 HydrophobicContact CD2-CB 4.47Å; L81-R184 PolarHBondContact O-NH1 3.28Å; L81-C187 HydrophobicContact CD1-CB 3.96Å; L81-A188 HydrophobicContact CB-CB 4.47Å
82	F	96.6	Very high	93	Very high	3 Å²	3	65 Å²	65	1%	0.013	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-66	-30.1	172.5	-75.8	-85.8	0	0	0	112.6	A79 D80 R184 I185 A188 F189 L587 F590 N591 F594	A79-F82 WeakPolarHBondContact O-CD2 3.47Å; A79-F82 PolarHBondContact O-N 2.62Å; D80-F82 PolarHBondContact O-N 3.28Å; F82-R184 PolarHBondContact O-NH1 2.76Å; F82-I185 HydrophobicContact CE1-CG1 4.29Å; F82-A188 HydrophobicContact CD2-CB 4.06Å; F82-A188 HydrophobicContact CE2-CB 3.44Å; F82-A188 VanDerWaalsContact CE2-CB 3.44Å; F82-A188 HydrophobicContact CZ-CB 3.93Å; F82-F189 HydrophobicContact CZ-CE2 4.3Å; F82-L587 HydrophobicContact CD1-CD2 4.19Å; F82-F590 HydrophobicContact CE1-CB 3.83Å; F82-F590 HydrophobicContact CZ-CB 4.45Å; F82-N591 HydrophobicContact CB-CB 4.45Å; F82-N591 WeakPolarHBondContact CB-ND2 3.43Å; F82-N591 HydrophobicContact CD1-CB 3.79Å; F82-N591 HydrophobicContact CD2-CB 4.35Å; F82-N591 VanDerWaalsContact CD2-ND2 3.34Å; F82-N591 WeakPolarHBondContact CD2-ND2 3.46Å; F82-N591 HydrophobicContact CE1-CB 4.08Å; F82-N591 HydrophobicContact CG-CB 3.94Å; F82-N591 VanDerWaalsContact CG-ND2 3.3Å; F82-N591 WeakPolarHBondContact CG-ND2 3.4Å; F82-N591 HydrophobicContact CZ-CB 4.47Å; F82-F594 HydrophobicContact CE2-CB 3.66Å; F82-F594 AromaticContact CE2-CD1 3.76Å; F82-F594 HydrophobicContact CE2-CD1 3.76Å; F82-F594 HydrophobicContact CE2-CD2 4.19Å; F82-F594 AromaticContact CE2-CG 3.58Å; F82-F594 HydrophobicContact CE2-CG 3.58Å; F82-F594 HydrophobicContact CZ-CB 3.64Å; F82-F594 HydrophobicContact CZ-CG 4.02Å
83	N	95.4	Very high	93.5	Very high	139 Å²	139	66.5 Å²	66.5	74%	0.743	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-8.6	-177.6	-61.8	-55.2	0	0	0	113.4	D80 L81	D80-N83 PolarHBondContact O-N 3.44Å; L81-N83 VanDerWaalsContact C-N 3.26Å; L81-N83 PolarHBondContact O-N 2.87Å
84	A	94.8	Very high	94	Very high	2 Å²	2	70.7 Å²	70.7	2%	0.017	37%	0.365	C	S	.	.	S	Bend	trans	-56.8	142.8	-179.9	0	0	0	0	0	111.3	F66 Y70 D80 L81 R184	F66-A84 HydrophobicContact CD1-CB 3.86Å; F66-A84 HydrophobicContact CE1-CB 3.94Å; Y70-A84 HydrophobicContact CD1-CB 3.82Å; Y70-A84 HydrophobicContact CD2-CB 4.32Å; Y70-A84 HydrophobicContact CE1-CB 3.63Å; Y70-A84 HydrophobicContact CE2-CB 4.15Å; Y70-A84 HydrophobicContact CG-CB 4.18Å; D80-A84 PolarHBondContact O-N 2.72Å; L81-A84 HydrophobicContact CD2-CB 4.47Å; A84-R184 PolarHBondContact O-NH1 3.05Å; A84-R184 PolarHBondContact O-NH2 2.85Å
85	P	95.5	Very high	94.8	Very high	65 Å²	65	65.8 Å²	65.8	42%	0.422	34%	0.339	S	S	.	.			trans	-59.9	148.2	171.4	25.2	-33.8	0	0	0	110.6	P67 Y70	P67-P85 WeakPolarHBondContact CD-O 3.42Å; P67-P85 HydrophobicContact CG-CB 4.45Å; P67-P85 HydrophobicContact CG-CG 4.03Å; Y70-P85 HydrophobicContact CE2-CG 3.92Å
86	V	95.9	Very high	95.4	Very high	35 Å²	35	61.4 Å²	61.4	21%	0.212	32%	0.322	C	S	.	.			trans	-112.3	152.1	170.5	-69.3	0	0	0	0	109.6	L64 N65 F66 E180 L183	L64-V86 HydrophobicContact CD1-CB 3.98Å; L64-V86 HydrophobicContact CD1-CG2 4Å; L64-V86 HydrophobicContact CD2-CB 4.32Å; L64-V86 HydrophobicContact CD2-CG1 4.45Å; L64-V86 HydrophobicContact CD2-CG2 4.36Å; L64-V86 HydrophobicContact CG-CB 4.1Å; L64-V86 HydrophobicContact CG-CG2 4.45Å; N65-V86 WeakPolarHBondContact O-CA 3.37Å; F66-V86 HydrophobicContact CD1-CG1 4.13Å; F66-V86 HydrophobicContact CE1-CG1 4.07Å; V86-E180 HydrophobicContact CG1-CG 4.4Å; V86-E180 HydrophobicContact CG2-CG 4.32Å; V86-L183 HydrophobicContact CG1-CD2 4.1Å
87	V	95.7	Very high	95.8	Very high	62 Å²	62	60.4 Å²	60.4	38%	0.376	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.9	178.9	-67.9	0	0	0	0	109.5	N65 P67	N65-V87 PolarHBondContact N-O 2.76Å; N65-V87 PolarHBondContact O-N 2.97Å; P67-V87 HydrophobicContact CG-CG1 3.99Å; P67-V87 HydrophobicContact CG-CG2 4.32Å
88	K	95.1	Very high	96	Very high	80 Å²	80	57.9 Å²	57.9	35%	0.348	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.8	166.8	-70.5	-166.8	179.2	-169.9	0	108.5	M62 T63 L64 D176	M62-K88 HydrophobicContact CB-CB 4.06Å; M62-K88 HydrophobicContact CB-CD 4.27Å; M62-K88 HydrophobicContact CB-CG 4.5Å; M62-K88 HydrophobicContact CE-CB 3.71Å; M62-K88 WeakPolarHBondContact CE-O 3.35Å; M62-K88 HydrophobicContact CG-CB 4.42Å; T63-K88 WeakPolarHBondContact O-CA 3.35Å; L64-K88 HydrophobicContact CD1-CG 3.87Å; K88-D176 WeakPolarHBondContact CE-OD1 3.28Å; K88-D176 IonicContact NZ-OD1 3.74Å; K88-D176 PolarHBondContact NZ-OD1 2.97Å; K88-D176 IonicContact NZ-OD2 3.9Å; K88-D176 PolarHBondContact NZ-OD2 2.8Å
89	E	95.2	Very high	96.1	Very high	79 Å²	79	63.2 Å²	63.2	37%	0.369	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	157.8	172.7	61.5	-178.4	179	0	0	110.8	M62 T63 N65 A91	M62-E89 CarbonylContact C-O 3.58Å; M62-E89 VanDerWaalsContact CA-O 3.22Å; M62-E89 WeakPolarHBondContact CA-O 3.21Å; T63-E89 HydrophobicContact CG2-CG 3.77Å; T63-E89 PolarHBondContact N-O 2.76Å; T63-E89 PolarHBondContact O-N 2.96Å; N65-E89 HydrophobicContact CB-CG 4.3Å; N65-E89 WeakPolarHBondContact CB-OE1 3.45Å; N65-E89 PolarHBondContact ND2-OE1 3Å; E89-A91 PolarHBondContact O-N 2.88Å
90	E	96.6	Very high	96.2	Very high	51 Å²	51	62.7 Å²	62.7	24%	0.238	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	124.7	178.6	-76.6	-164	-145.8	0	0	110.4	V61 M62 N92 P93 R96 M97 V98	V61-E90 WeakPolarHBondContact O-CA 3.12Å; M62-E90 HydrophobicContact SD-CG 4.44Å; E90-N92 PolarHBondContact O-N 3.36Å; E90-P93 HydrophobicContact CB-CG 4.43Å; E90-P93 WeakPolarHBondContact O-CD 3.05Å; E90-R96 WeakPolarHBondContact OE2-CA 3.41Å; E90-R96 PolarHBondContact OE2-N 3.35Å; E90-M97 PolarHBondContact OE2-N 2.92Å; E90-V98 HydrophobicContact CG-CG2 3.82Å
91	A	96.5	Very high	96.3	Very high	48 Å²	48	58.5 Å²	58.5	40%	0.397	30%	0.301	S	S	.	.	S	Bend	trans	-60	-33.4	-178.4	0	0	0	0	0	112.3	H60 V61 E89	H60-A91 WeakPolarHBondContact O-CB 3.41Å; V61-A91 PolarHBondContact O-N 3.47Å; E89-A91 PolarHBondContact O-N 2.88Å
92	N	95.9	Very high	96.3	Very high	76 Å²	76	58.8 Å²	58.8	41%	0.406	30%	0.303	S	S	.	.	S	Bend	trans	-134.5	90.2	171.6	-171.7	-13.7	0	0	0	110.9	E90 K94 L95	E90-N92 PolarHBondContact O-N 3.36Å; N92-K94 PolarHBondContact O-N 3.38Å; N92-K94 WeakPolarHBondContact OD1-CB 3.5Å; N92-K94 PolarHBondContact OD1-N 2.86Å; N92-L95 HydrophobicContact CB-CD1 4Å; N92-L95 HydrophobicContact CB-CG 4.1Å; N92-L95 PolarHBondContact O-N 2.73Å
93	P	95	Very high	96.3	Very high	93 Å²	93	60.1 Å²	60.1	60%	0.604	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.1	-175.7	-26.1	35.2	0	0	0	114.4	E90 L95 R96	E90-P93 HydrophobicContact CB-CG 4.43Å; E90-P93 WeakPolarHBondContact O-CD 3.05Å; P93-L95 VanDerWaalsContact C-N 3.3Å; P93-R96 PolarHBondContact O-N 2.85Å
94	K	95.7	Very high	96.3	Very high	194 Å²	194	54.1 Å²	54.1	84%	0.843	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-28.6	176.8	-62.8	179.8	-179.2	174.5	0	112.2	N92 R96	N92-K94 PolarHBondContact O-N 3.38Å; N92-K94 WeakPolarHBondContact OD1-CB 3.5Å; N92-K94 PolarHBondContact OD1-N 2.86Å; K94-R96 VanDerWaalsContact C-N 3.35Å
95	L	96	Very high	96.3	Very high	34 Å²	34	54 Å²	54	18%	0.178	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-21.8	178.7	-63.8	-178.1	0	0	0	112.5	N33 A35 C58 N92 P93 M97	N33-L95 WeakPolarHBondContact CB-O 3.24Å; A35-L95 HydrophobicContact CB-CD2 3.7Å; C58-L95 HydrophobicContact CB-CD1 3.92Å; N92-L95 HydrophobicContact CB-CD1 4Å; N92-L95 HydrophobicContact CB-CG 4.1Å; N92-L95 PolarHBondContact O-N 2.73Å; P93-L95 VanDerWaalsContact C-N 3.3Å; L95-M97 HydrophobicContact CB-CE 4.38Å; L95-M97 HydrophobicContact CD1-CE 4.14Å; L95-M97 PolarHBondContact O-N 3.46Å
96	R	97.1	Very high	96.2	Very high	118 Å²	118	58 Å²	58	45%	0.445	29%	0.286	S	S	.	.			trans	50.9	45.5	-177.4	-54.9	174.2	67.5	-174.2	14	110.8	F32 E90 P93 K94 V98 K99 F100	F32-R96 HydrophobicContact CE2-CB 4.32Å; E90-R96 WeakPolarHBondContact OE2-CA 3.41Å; E90-R96 PolarHBondContact OE2-N 3.35Å; P93-R96 PolarHBondContact O-N 2.85Å; K94-R96 VanDerWaalsContact C-N 3.35Å; R96-V98 VanDerWaalsContact C-N 3.34Å; R96-V98 PolarHBondContact O-N 3.23Å; R96-K99 HydrophobicContact CB-CB 4.47Å; R96-K99 PolarHBondContact O-N 3.31Å; R96-F100 PolarHBondContact O-N 2.89Å
97	M	98	Very high	95.7	Very high	7 Å²	7	60.7 Å²	60.7	3%	0.034	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-38.7	-164	-174.6	60.6	71.6	0	0	111.4	C58 V61 E90 L95 K99 F100 L101	C58-M97 HydrophobicContact CB-CE 4.05Å; V61-M97 HydrophobicContact CB-CG 4.39Å; V61-M97 HydrophobicContact CG1-CB 4.08Å; V61-M97 HydrophobicContact CG1-CG 3.9Å; V61-M97 HydrophobicContact CG2-CG 3.96Å; E90-M97 PolarHBondContact OE2-N 2.92Å; L95-M97 HydrophobicContact CB-CE 4.38Å; L95-M97 HydrophobicContact CD1-CE 4.14Å; L95-M97 PolarHBondContact O-N 3.46Å; M97-K99 PolarHBondContact O-N 3.06Å; M97-F100 WeakPolarHBondContact O-CB 3.24Å; M97-F100 PolarHBondContact O-N 2.84Å; M97-F100 HydrophobicContact SD-CD1 3.8Å; M97-L101 HydrophobicContact CG-CD1 4.25Å; M97-L101 HydrophobicContact CG-CG 4.48Å; M97-L101 WeakPolarHBondContact O-CG 3.2Å; M97-L101 PolarHBondContact O-N 2.95Å; M97-L101 HydrophobicContact SD-CG 4.37Å
98	V	97.6	Very high	95.6	Very high	28 Å²	28	58.4 Å²	58.4	17%	0.17	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-48.9	175.9	175.4	0	0	0	0	110.6	V61 M62 E90 R96 F100 L101 A102 A131 L134	V61-V98 HydrophobicContact CG1-CG2 3.74Å; M62-V98 HydrophobicContact SD-CG2 3.85Å; E90-V98 HydrophobicContact CG-CG2 3.82Å; R96-V98 VanDerWaalsContact C-N 3.34Å; R96-V98 PolarHBondContact O-N 3.23Å; V98-F100 VanDerWaalsContact C-N 3.27Å; V98-F100 PolarHBondContact O-N 3.31Å; V98-L101 PolarHBondContact O-N 2.84Å; V98-A102 VanDerWaalsContact O-CB 3.3Å; V98-A102 WeakPolarHBondContact O-CB 3.17Å; V98-A102 PolarHBondContact O-N 3.26Å; V98-A131 HydrophobicContact CB-CB 4.47Å; V98-A131 HydrophobicContact CG1-CB 4.06Å; V98-L134 HydrophobicContact CG1-CD1 3.57Å
99	K	97.1	Very high	95.5	Very high	114 Å²	114	56.7 Å²	56.7	50%	0.496	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-35.6	177.5	-172.6	174.3	-178.1	169.9	0	111.9	F32 R96 M97 S103	F32-K99 HydrophobicContact CZ-CB 4.23Å; F32-K99 HydrophobicContact CZ-CD 4.5Å; F32-K99 HydrophobicContact CZ-CG 4.05Å; R96-K99 HydrophobicContact CB-CB 4.47Å; R96-K99 PolarHBondContact O-N 3.31Å; M97-K99 PolarHBondContact O-N 3.06Å; K99-S103 WeakPolarHBondContact O-CB 3.41Å; K99-S103 PolarHBondContact O-N 2.86Å; K99-S103 PolarHBondContact O-OG 3.17Å
100	F	98	Very high	95.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-57	176.8	171.5	-106.5	0	0	0	111.3	F32 N33 C36 I38 T55 R96 M97 V98 A102 S103 E104	F32-F100 HydrophobicContact CD1-CD2 4.12Å; F32-F100 VanDerWaalsContact CE1-CA 3.46Å; F32-F100 HydrophobicContact CE1-CB 3.97Å; F32-F100 AromaticContact CE1-CD2 3.99Å; F32-F100 HydrophobicContact CE1-CD2 3.99Å; F32-F100 VanDerWaalsContact CZ-CA 3.44Å; F32-F100 HydrophobicContact CZ-CB 3.75Å; F32-F100 HydrophobicContact CZ-CD2 4.46Å; N33-F100 WeakPolarHBondContact ND2-CG 3.27Å; C36-F100 HydrophobicContact CB-CD1 4.35Å; C36-F100 HydrophobicContact CB-CE1 3.55Å; C36-F100 HydrophobicContact CB-CE2 4.4Å; C36-F100 HydrophobicContact CB-CZ 3.58Å; I38-F100 HydrophobicContact CD1-CE2 3.97Å; I38-F100 HydrophobicContact CD1-CZ 4.05Å; I38-F100 HydrophobicContact CG1-CZ 4.38Å; T55-F100 HydrophobicContact CG2-CE1 4.15Å; T55-F100 HydrophobicContact CG2-CZ 4.39Å; T55-F100 WeakPolarHBondContact OG1-CE1 3.49Å; T55-F100 VanDerWaalsContact OG1-CZ 3.26Å; T55-F100 WeakPolarHBondContact OG1-CZ 3.37Å; R96-F100 PolarHBondContact O-N 2.89Å; M97-F100 WeakPolarHBondContact O-CB 3.24Å; M97-F100 PolarHBondContact O-N 2.84Å; M97-F100 HydrophobicContact SD-CD1 3.8Å; V98-F100 VanDerWaalsContact C-N 3.27Å; V98-F100 PolarHBondContact O-N 3.31Å; F100-A102 PolarHBondContact O-N 2.91Å; F100-S103 PolarHBondContact O-N 3.48Å; F100-S103 PolarHBondContact O-OG 2.81Å; F100-E104 HydrophobicContact CD2-CG 4.15Å; F100-E104 HydrophobicContact CE2-CG 3.69Å; F100-E104 HydrophobicContact CZ-CG 3.97Å; F100-E104 WeakPolarHBondContact O-CG 3.24Å; F100-E104 PolarHBondContact O-N 3.47Å; F100-E104 VanDerWaalsContact O-N 3.09Å
101	L	97.8	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58	-46.4	179	-65.6	171.7	0	0	0	111.9	V7 T57 V61 M97 V98 S103 E104 A105 V128 A131	V7-L101 HydrophobicContact CG1-CD2 4.01Å; V7-L101 HydrophobicContact CG2-CD2 4.36Å; T57-L101 HydrophobicContact CG2-CD1 4.16Å; T57-L101 HydrophobicContact CG2-CD2 4.48Å; V61-L101 HydrophobicContact CG2-CD1 4.14Å; M97-L101 HydrophobicContact CG-CD1 4.25Å; M97-L101 HydrophobicContact CG-CG 4.48Å; M97-L101 WeakPolarHBondContact O-CG 3.2Å; M97-L101 PolarHBondContact O-N 2.95Å; M97-L101 HydrophobicContact SD-CG 4.37Å; V98-L101 PolarHBondContact O-N 2.84Å; L101-S103 PolarHBondContact O-N 2.98Å; L101-E104 PolarHBondContact O-N 3.19Å; L101-A105 WeakPolarHBondContact O-CB 3.5Å; L101-A105 PolarHBondContact O-N 3.2Å; L101-V128 HydrophobicContact CD1-CG2 4.09Å; L101-A131 HydrophobicContact CB-CB 4.02Å; L101-A131 HydrophobicContact CD1-CB 3.91Å
102	A	96.6	Very high	95.6	Very high	6 Å²	6	50.5 Å²	50.5	5%	0.05	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-45.8	177.5	0	0	0	0	0	111.8	V98 F100 E104 A105 A131 L134 E135	V98-A102 VanDerWaalsContact O-CB 3.3Å; V98-A102 WeakPolarHBondContact O-CB 3.17Å; V98-A102 PolarHBondContact O-N 3.26Å; F100-A102 PolarHBondContact O-N 2.91Å; A102-E104 VanDerWaalsContact C-N 3.31Å; A102-E104 PolarHBondContact O-N 2.92Å; A102-A105 WeakPolarHBondContact O-CB 3.22Å; A102-A105 PolarHBondContact O-N 2.83Å; A102-A131 WeakPolarHBondContact CB-O 3.36Å; A102-L134 HydrophobicContact CB-CB 4.24Å; A102-L134 HydrophobicContact CB-CD1 4.5Å; A102-E135 HydrophobicContact CB-CG 3.81Å; A102-E135 WeakPolarHBondContact O-CB 3.45Å; A102-E135 WeakPolarHBondContact O-CG 3.31Å
103	S	96	Very high	95.8	Very high	31 Å²	31	46.9 Å²	46.9	22%	0.217	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-37.5	179.3	74.6	0	0	0	0	113.1	F32 K99 F100 L101 A105 R106	F32-S103 WeakPolarHBondContact CE1-OG 3.34Å; K99-S103 WeakPolarHBondContact O-CB 3.41Å; K99-S103 PolarHBondContact O-N 2.86Å; K99-S103 PolarHBondContact O-OG 3.17Å; F100-S103 PolarHBondContact O-N 3.48Å; F100-S103 PolarHBondContact O-OG 2.81Å; L101-S103 PolarHBondContact O-N 2.98Å; S103-A105 VanDerWaalsContact C-N 3.28Å; S103-A105 PolarHBondContact O-N 2.99Å; S103-R106 PolarHBondContact O-N 2.87Å
104	E	96	Very high	95.9	Very high	13 Å²	13	42.4 Å²	42.4	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-78.8	-16.6	-178.7	-61.8	-60.6	172.7	0	0	112.3	L5 R29 I38 K53 F100 L101 A102	L5-E104 HydrophobicContact CD1-CB 4.43Å; R29-E104 IonicContact CZ-OE1 2.8Å; R29-E104 IonicContact CZ-OE2 2.92Å; R29-E104 IonicContact NH1-OE1 3.41Å; R29-E104 PolarHBondContact NH1-OE1 3.02Å; R29-E104 IonicContact NH1-OE2 3.26Å; R29-E104 IonicContact NH2-OE1 3.49Å; R29-E104 IonicContact NH2-OE2 3.69Å; R29-E104 PolarHBondContact NH2-OE2 3.43Å; I38-E104 HydrophobicContact CG1-CG 4.31Å; K53-E104 WeakPolarHBondContact CE-OE2 3.17Å; K53-E104 PolarHBondContact NZ-O 3.28Å; K53-E104 IonicContact NZ-OE2 3.55Å; K53-E104 PolarHBondContact NZ-OE2 3.38Å; F100-E104 HydrophobicContact CD2-CG 4.15Å; F100-E104 HydrophobicContact CE2-CG 3.69Å; F100-E104 HydrophobicContact CZ-CG 3.97Å; F100-E104 WeakPolarHBondContact O-CG 3.24Å; F100-E104 PolarHBondContact O-N 3.47Å; F100-E104 VanDerWaalsContact O-N 3.09Å; L101-E104 PolarHBondContact O-N 3.19Å; A102-E104 VanDerWaalsContact C-N 3.31Å; A102-E104 PolarHBondContact O-N 2.92Å
105	A	95.4	Very high	96	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-10.9	173.2	0	0	0	0	0	114.8	L5 L101 A102 S103 A107 V108 V132 M136	L5-A105 HydrophobicContact CD2-CB 4.04Å; L101-A105 WeakPolarHBondContact O-CB 3.5Å; L101-A105 PolarHBondContact O-N 3.2Å; A102-A105 WeakPolarHBondContact O-CB 3.22Å; A102-A105 PolarHBondContact O-N 2.83Å; S103-A105 VanDerWaalsContact C-N 3.28Å; S103-A105 PolarHBondContact O-N 2.99Å; A105-A107 PolarHBondContact O-N 3.36Å; A105-V108 VanDerWaalsContact O-CB 3.3Å; A105-V108 WeakPolarHBondContact O-CB 3.46Å; A105-V108 WeakPolarHBondContact O-CG2 3.34Å; A105-V108 PolarHBondContact O-N 3.5Å; A105-V108 VanDerWaalsContact O-N 3.15Å; A105-V132 HydrophobicContact CB-CB 4.21Å; A105-V132 HydrophobicContact CB-CG1 3.72Å; A105-V132 HydrophobicContact CB-CG2 4.17Å; A105-M136 HydrophobicContact CB-CG 4.07Å; A105-M136 HydrophobicContact CB-SD 3.86Å; A105-M136 VanDerWaalsContact O-CG 3.31Å; A105-M136 WeakPolarHBondContact O-CG 3.27Å
106	R	92.1	Very high	96	Very high	148 Å²	148	31.8 Å²	31.8	56%	0.558	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	132.4	178.7	-72.1	-178.8	176.6	174.7	4	111.4	S103 V108 E135	S103-R106 PolarHBondContact O-N 2.87Å; R106-V108 PolarHBondContact O-N 3.11Å; R106-E135 HydrophobicContact CG-CB 4.16Å; R106-E135 HydrophobicContact CG-CG 4.35Å; R106-E135 WeakPolarHBondContact CG-OE2 3.47Å; R106-E135 IonicContact CZ-OE1 3.12Å; R106-E135 IonicContact CZ-OE2 2.87Å; R106-E135 VanDerWaalsContact NE-CD 3.3Å; R106-E135 IonicContact NE-OE1 3.67Å; R106-E135 PolarHBondContact NE-OE1 2.66Å; R106-E135 IonicContact NE-OE2 2.7Å; R106-E135 PolarHBondContact NE-OE2 3.5Å; R106-E135 IonicContact NH2-OE1 3.1Å; R106-E135 PolarHBondContact NH2-OE1 3.33Å; R106-E135 IonicContact NH2-OE2 2.61Å
107	A	86.9	Confident	96	Very high	93 Å²	93	26.8 Å²	26.8	77%	0.769	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	19.6	-179	0	0	0	0	0	115.4	A105	A105-A107 PolarHBondContact O-N 3.36Å
108	V	92.5	Very high	95.8	Very high	13 Å²	13	27.8 Å²	27.8	8%	0.079	15%	0.15	C	C	.	.			trans	-80.5	151.5	171.8	171.6	0	0	0	0	109.8	T3 L5 A105 R106 Y110 M136	T3-V108 HydrophobicContact CG2-CG2 4.06Å; L5-V108 HydrophobicContact CB-CB 4.42Å; L5-V108 HydrophobicContact CB-CG1 3.69Å; L5-V108 HydrophobicContact CB-CG2 4.01Å; A105-V108 VanDerWaalsContact O-CB 3.3Å; A105-V108 WeakPolarHBondContact O-CB 3.46Å; A105-V108 WeakPolarHBondContact O-CG2 3.34Å; A105-V108 PolarHBondContact O-N 3.5Å; A105-V108 VanDerWaalsContact O-N 3.15Å; R106-V108 PolarHBondContact O-N 3.11Å; V108-Y110 WeakPolarHBondContact CG1-O 3.41Å; V108-M136 HydrophobicContact CB-CE 4.02Å; V108-M136 HydrophobicContact CB-SD 3.72Å; V108-M136 HydrophobicContact CG1-CE 4.12Å; V108-M136 HydrophobicContact CG1-SD 4.05Å; V108-M136 WeakPolarHBondContact O-CE 3.49Å
109	S	92.7	Very high	95.6	Very high	44 Å²	44	27.6 Å²	27.6	31%	0.308	15%	0.147	S	C	.	.			trans	-108.1	-30.3	177.4	-51.3	0	0	0	0	113.1	P2 T3 N143	P2-S109 WeakPolarHBondContact CB-OG 3.39Å; T3-S109 PolarHBondContact O-N 3.25Å; S109-N143 PolarHBondContact O-ND2 2.87Å
110	Y	95.9	Very high	95.5	Very high	47 Å²	47	24.2 Å²	24.2	18%	0.184	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.4	-177.7	-55	-86	0	0	0	111.3	P2 T3 V4 L5 L45 V108 N143 Y145	P2-Y110 HydrophobicContact CB-CE2 4.2Å; P2-Y110 HydrophobicContact CG-CE2 4.48Å; T3-Y110 PolarHBondContact O-N 2.77Å; V4-Y110 WeakPolarHBondContact CA-O 3.03Å; V4-Y110 HydrophobicContact CG2-CD2 4.04Å; V4-Y110 HydrophobicContact CG2-CG 4.49Å; L5-Y110 PolarHBondContact N-O 3.42Å; L45-Y110 HydrophobicContact CD2-CD2 4.24Å; L45-Y110 HydrophobicContact CD2-CG 4.07Å; V108-Y110 WeakPolarHBondContact CG1-O 3.41Å; Y110-N143 HydrophobicContact CD1-CB 3.7Å; Y110-N143 HydrophobicContact CE1-CB 4.2Å; Y110-N143 WeakPolarHBondContact CE1-OD1 3.29Å; Y110-Y145 HydrophobicContact CD1-CE2 4.03Å
111	L	97.5	Very high	95.4	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.8	173.4	177.2	62.2	0	0	0	109.3	L5 V7 L113 I129 V132 L139 N143 I144 Y145	L5-L111 HydrophobicContact CB-CD1 4.19Å; L5-L111 HydrophobicContact CD2-CD1 4.1Å; L5-L111 HydrophobicContact CG-CD1 4.1Å; L5-L111 CarbonylContact O-C 3.58Å; L5-L111 WeakPolarHBondContact O-CA 3.33Å; V7-L111 HydrophobicContact CG2-CD1 4.02Å; L111-L113 HydrophobicContact CD1-CD2 4.45Å; L111-L113 HydrophobicContact CD2-CD2 4.13Å; L111-L113 HydrophobicContact CG-CD2 4.23Å; L111-L113 HydrophobicContact CG-CG 4.35Å; L111-I129 HydrophobicContact CD2-CG1 3.99Å; L111-V132 HydrophobicContact CD1-CG2 4.5Å; L111-V132 HydrophobicContact CD2-CB 4.49Å; L111-V132 HydrophobicContact CD2-CG1 4.33Å; L111-V132 HydrophobicContact CD2-CG2 4.46Å; L111-L139 HydrophobicContact CB-CD2 4.21Å; L111-L139 HydrophobicContact CD2-CD2 4.44Å; L111-N143 PolarHBondContact N-O 2.87Å; L111-I144 HydrophobicContact CB-CG1 4.49Å; L111-I144 HydrophobicContact CD2-CG2 4.26Å; L111-I144 WeakPolarHBondContact O-CA 2.93Å; L111-Y145 PolarHBondContact O-N 2.88Å
112	V	98.3	Very high	95.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.4	172	-171	0	0	0	0	109.5	V4 L5 M6 V7 Y145 A147 L164	V4-V112 HydrophobicContact CG1-CG2 3.6Å; L5-V112 PolarHBondContact O-N 2.61Å; M6-V112 VanDerWaalsContact CA-O 3.24Å; M6-V112 WeakPolarHBondContact CA-O 3.34Å; M6-V112 HydrophobicContact CG-CB 4.07Å; M6-V112 HydrophobicContact CG-CG2 4.48Å; V7-V112 PolarHBondContact N-O 2.69Å; V7-V112 VanDerWaalsContact N-O 3.07Å; V112-Y145 CarbonylContact C-O 3.6Å; V112-Y145 WeakPolarHBondContact CA-O 3.47Å; V112-A147 HydrophobicContact CG1-CB 4.44Å; V112-L164 HydrophobicContact CG1-CD1 4.21Å; V112-L164 HydrophobicContact CG1-CD2 3.67Å; V112-L164 HydrophobicContact CG2-CD1 4.35Å
113	L	98.7	Very high	95.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.8	-175.3	-61.6	159.4	0	0	0	109.9	L111 L115 C125 V128 I129 I144 Y145 R146 A147 P167	L111-L113 HydrophobicContact CD1-CD2 4.45Å; L111-L113 HydrophobicContact CD2-CD2 4.13Å; L111-L113 HydrophobicContact CG-CD2 4.23Å; L111-L113 HydrophobicContact CG-CG 4.35Å; L113-L115 HydrophobicContact CB-CD1 3.93Å; L113-L115 HydrophobicContact CD2-CD1 3.82Å; L113-L115 HydrophobicContact CG-CD1 4.49Å; L113-C125 HydrophobicContact CD1-CB 3.8Å; L113-C125 HydrophobicContact CD2-CB 4.35Å; L113-C125 HydrophobicContact CG-CB 4.48Å; L113-V128 HydrophobicContact CD2-CB 4.14Å; L113-V128 HydrophobicContact CD2-CG1 3.86Å; L113-I129 HydrophobicContact CD1-CD1 3.99Å; L113-I129 HydrophobicContact CD1-CG1 4.2Å; L113-I144 HydrophobicContact CD1-CG2 3.9Å; L113-Y145 PolarHBondContact N-O 3.27Å; L113-R146 PolarHBondContact O-NH1 3.26Å; L113-A147 PolarHBondContact O-N 2.82Å; L113-P167 HydrophobicContact CD1-CB 3.99Å; L113-P167 HydrophobicContact CD1-CG 4.09Å
114	W	98.6	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	31.4	-176.4	-76.2	93.6	0	0	0	111.6	V7 A8 I17 L21 M54 A147 F149 I157 A160 M161	V7-W114 CarbonylContact O-C 3.51Å; V7-W114 WeakPolarHBondContact O-CA 3.42Å; V7-W114 PolarHBondContact O-N 2.9Å; A8-W114 WeakPolarHBondContact CA-O 3.36Å; A8-W114 HydrophobicContact CB-CB 4.1Å; I17-W114 HydrophobicContact CD1-CB 4.09Å; I17-W114 HydrophobicContact CD1-CD2 4.26Å; I17-W114 HydrophobicContact CD1-CE3 3.82Å; I17-W114 HydrophobicContact CD1-CG 4.44Å; I17-W114 HydrophobicContact CG1-CE3 4.43Å; I17-W114 HydrophobicContact CG2-CD2 3.87Å; I17-W114 HydrophobicContact CG2-CE3 3.82Å; I17-W114 HydrophobicContact CG2-CG 4.49Å; I17-W114 HydrophobicContact CG2-CH2 4.25Å; I17-W114 HydrophobicContact CG2-CZ2 4.29Å; I17-W114 HydrophobicContact CG2-CZ3 4.02Å; L21-W114 HydrophobicContact CD1-CH2 4.35Å; L21-W114 HydrophobicContact CD1-CZ2 3.8Å; M54-W114 HydrophobicContact CE-CB 4.43Å; M54-W114 HydrophobicContact CE-CD2 4.34Å; M54-W114 HydrophobicContact CE-CG 3.92Å; W114-A147 HydrophobicContact CD2-CB 3.51Å; W114-A147 HydrophobicContact CE3-CB 3.53Å; W114-A147 HydrophobicContact CG-CB 4.18Å; W114-A147 HydrophobicContact CH2-CB 3.73Å; W114-A147 HydrophobicContact CZ2-CB 3.7Å; W114-A147 HydrophobicContact CZ3-CB 3.64Å; W114-F149 AromaticContact CE3-CD1 3.84Å; W114-F149 HydrophobicContact CE3-CD1 3.84Å; W114-F149 AromaticContact CE3-CE1 3.79Å; W114-F149 HydrophobicContact CE3-CE1 3.79Å; W114-F149 HydrophobicContact CE3-CZ 4.45Å; W114-F149 HydrophobicContact CZ3-CD1 4.05Å; W114-F149 HydrophobicContact CZ3-CE1 4.44Å; W114-F149 HydrophobicContact CZ3-CG 4.47Å; W114-I157 HydrophobicContact CE3-CD1 4.43Å; W114-I157 HydrophobicContact CH2-CG2 3.89Å; W114-I157 WeakPolarHBondContact CH2-O 3.26Å; W114-I157 HydrophobicContact CZ3-CD1 3.81Å; W114-I157 HydrophobicContact CZ3-CG2 3.97Å; W114-A160 HydrophobicContact CH2-CB 3.95Å; W114-A160 HydrophobicContact CZ3-CB 3.98Å; W114-M161 HydrophobicContact CH2-CB 4.16Å; W114-M161 HydrophobicContact CZ2-CB 4.09Å; W114-M161 HydrophobicContact CZ2-SD 3.88Å
115	L	98.2	Very high	95.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.			trans	-73.1	164	177.3	-65	95.2	0	0	0	110.3	V7 E9 L113 I124 C125 V128 R146 F149	V7-L115 WeakPolarHBondContact O-CD1 3.48Å; E9-L115 HydrophobicContact CB-CB 4.38Å; E9-L115 HydrophobicContact CB-CD2 4.5Å; E9-L115 HydrophobicContact CB-CG 4.42Å; L113-L115 HydrophobicContact CB-CD1 3.93Å; L113-L115 HydrophobicContact CD2-CD1 3.82Å; L113-L115 HydrophobicContact CG-CD1 4.49Å; L115-I124 HydrophobicContact CD2-CB 3.34Å; L115-I124 HydrophobicContact CD2-CG2 3.16Å; L115-C125 VanDerWaalsContact CD1-SG 3.6Å; L115-V128 HydrophobicContact CD2-CG2 4.45Å; L115-R146 VanDerWaalsContact O-CZ 3.24Å; L115-R146 PolarHBondContact O-NH1 3.27Å; L115-R146 PolarHBondContact O-NH2 3.43Å; L115-F149 WeakPolarHBondContact O-CE1 3.22Å
116	D	95.9	Very high	95.8	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	13%	0.131	C	C	.	.			trans	-61.6	147.2	179	-67.1	-13.7	0	0	0	109.3	E9 L13 D118 G121 R146 Y326 Y333	E9-D116 WeakPolarHBondContact OE2-CB 3.39Å; E9-D116 PolarHBondContact OE2-N 3.02Å; L13-D116 WeakPolarHBondContact CD1-OD1 3.46Å; D116-D118 VanDerWaalsContact C-N 3.27Å; D116-D118 PolarHBondContact O-N 3.37Å; D116-G121 WeakPolarHBondContact O-CA 3.35Å; D116-R146 PolarHBondContact O-NH2 2.75Å; D116-Y326 PolarHBondContact OD1-OH 3.35Å; D116-Y333 HydrophobicContact CB-CE2 3.6Å; D116-Y333 WeakPolarHBondContact CB-OH 3.26Å
117	C	95.5	Very high	96.1	Very high	14 Å²	14	18.1 Å²	18.1	10%	0.095	11%	0.106	C	C	.	.	S	Bend	trans	-91.7	44.5	-168.7	-52.7	0	0	0	0	113.4	F149 H384	C117-F149 PolarHBondContact SG-N 2.93Å; C117-F149 VanDerWaalsContact SG-N 3.35Å; C117-F149 PolarHBondContact SG-O 3.23Å; C117-F149 VanDerWaalsContact SG-O 3.32Å; C117-H384 PolarHBondContact O-NE2 2.95Å
118	D	93.5	Very high	96.6	Very high	27 Å²	27	13.7 Å²	13.7	14%	0.144	7%	0.069	C	C	.	.	S	Bend	trans	-107.9	178.9	167.1	69.1	1.5	0	0	0	111.9	D116 E120 G121 E122 Y333	D116-D118 VanDerWaalsContact C-N 3.27Å; D116-D118 PolarHBondContact O-N 3.37Å; D118-E120 VanDerWaalsContact C-N 3.28Å; D118-E120 PolarHBondContact O-N 3.48Å; D118-E120 PolarHBondContact OD1-N 3.33Å; D118-G121 PolarHBondContact O-N 3.4Å; D118-G121 PolarHBondContact OD1-N 2.89Å; D118-E122 PolarHBondContact O-N 3.41Å; D118-Y333 HydrophobicContact CB-CE1 4.02Å; D118-Y333 PolarHBondContact OD2-OH 3.04Å
119	K	93.8	Very high	96.8	Very high	24 Å²	24	13.3 Å²	13.3	10%	0.104	7%	0.067	C	C	.	.	H	α-helix	trans	-60.7	-37.2	179.3	-70.1	177.3	-179.3	159.7	0	112.2	E122 N123 Q171 V175 D511 N570	K119-E122 PolarHBondContact O-N 2.84Å; K119-N123 PolarHBondContact O-N 2.8Å; K119-Q171 HydrophobicContact CG-CB 4.47Å; K119-Q171 HydrophobicContact CG-CG 4.38Å; K119-V175 HydrophobicContact CB-CG2 3.77Å; K119-V175 WeakPolarHBondContact O-CG2 3.46Å; K119-D511 HydrophobicContact CD-CB 4.46Å; K119-D511 WeakPolarHBondContact CD-OD1 3.34Å; K119-D511 WeakPolarHBondContact CD-OD2 3.42Å; K119-D511 VanDerWaalsContact CE-OD1 3.3Å; K119-D511 WeakPolarHBondContact CE-OD1 3.32Å; K119-D511 IonicContact NZ-OD1 2.99Å; K119-D511 PolarHBondContact NZ-OD1 2.95Å; K119-D511 IonicContact NZ-OD2 3.21Å; K119-D511 PolarHBondContact NZ-OD2 3.41Å; K119-N570 PolarHBondContact NZ-OD1 3.47Å; K119-N570 VanDerWaalsContact NZ-OD1 3.11Å
120	E	94.5	Very high	97	Very high	44 Å²	44	14.1 Å²	14.1	21%	0.206	8%	0.076	C	C	.	.	H	α-helix	trans	-66.6	-45.6	177.9	-60.5	-63.9	138	0	0	110.6	H60 D118 E122 N123 I124 R178	H60-E120 IonicContact CE1-OE2 3.27Å; H60-E120 IonicContact NE2-OE2 3.45Å; H60-E120 PolarHBondContact NE2-OE2 2.85Å; D118-E120 VanDerWaalsContact C-N 3.28Å; D118-E120 PolarHBondContact O-N 3.48Å; D118-E120 PolarHBondContact OD1-N 3.33Å; E120-E122 VanDerWaalsContact C-N 3.32Å; E120-E122 PolarHBondContact O-N 3.46Å; E120-N123 WeakPolarHBondContact O-CA 3.21Å; E120-N123 VanDerWaalsContact O-CB 3.32Å; E120-N123 WeakPolarHBondContact O-CB 3.46Å; E120-N123 PolarHBondContact O-N 2.96Å; E120-I124 VanDerWaalsContact O-CG1 3.29Å; E120-I124 WeakPolarHBondContact O-CG1 3.42Å; E120-I124 PolarHBondContact O-N 2.9Å; E120-R178 IonicContact OE1-CZ 3.81Å; E120-R178 IonicContact OE1-NE 3.16Å; E120-R178 IonicContact OE1-NH2 3.95Å; E120-R178 PolarHBondContact OE1-NH2 2.95Å; E120-R178 IonicContact OE2-NH2 3.64Å; E120-R178 PolarHBondContact OE2-NH2 3.16Å
121	G	96.2	Very high	97	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-36.7	175.4	0	0	0	0	0	113.3	D116 D118 I124 C125	D116-G121 WeakPolarHBondContact O-CA 3.35Å; D118-G121 PolarHBondContact O-N 3.4Å; D118-G121 PolarHBondContact OD1-N 2.89Å; G121-I124 PolarHBondContact O-N 3.38Å; G121-C125 PolarHBondContact O-N 2.84Å; G121-C125 PolarHBondContact O-SG 2.88Å
122	E	97.3	Very high	96.9	Very high	10 Å²	10	12 Å²	12	5%	0.047	7%	0.068	C	C	.	.	H	α-helix	trans	-64.2	-38.8	168.9	-72.9	-60.9	134.1	0	0	112.1	D118 K119 E120 C125 F126 R146 N168 Q171	D118-E122 PolarHBondContact O-N 3.41Å; K119-E122 PolarHBondContact O-N 2.84Å; E120-E122 VanDerWaalsContact C-N 3.32Å; E120-E122 PolarHBondContact O-N 3.46Å; E122-C125 WeakPolarHBondContact O-CB 3.49Å; E122-C125 PolarHBondContact O-N 2.89Å; E122-F126 VanDerWaalsContact O-CD2 3.31Å; E122-F126 WeakPolarHBondContact O-CD2 3.3Å; E122-F126 PolarHBondContact O-N 2.88Å; E122-R146 IonicContact OE1-CZ 3.62Å; E122-R146 IonicContact OE1-NE 3.06Å; E122-R146 PolarHBondContact OE1-NE 3.38Å; E122-R146 IonicContact OE1-NH2 2.61Å; E122-R146 PolarHBondContact OE1-NH2 2.83Å; E122-N168 PolarHBondContact OE2-N 2.81Å; E122-Q171 HydrophobicContact CB-CB 4.17Å; E122-Q171 HydrophobicContact CG-CB 4.41Å
123	N	98.1	Very high	96.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.1	-45.6	173.8	-173.2	-90.6	0	0	0	112	H60 K119 E120 C125 F126 E127 S172 V175 D176	H60-N123 PolarHBondContact CE1-OD1 3.3Å; K119-N123 PolarHBondContact O-N 2.8Å; E120-N123 WeakPolarHBondContact O-CA 3.21Å; E120-N123 VanDerWaalsContact O-CB 3.32Å; E120-N123 WeakPolarHBondContact O-CB 3.46Å; E120-N123 PolarHBondContact O-N 2.96Å; N123-C125 PolarHBondContact O-N 3.38Å; N123-F126 PolarHBondContact O-N 2.87Å; N123-F126 VanDerWaalsContact O-N 3.08Å; N123-E127 PolarHBondContact O-N 2.85Å; N123-S172 PolarHBondContact ND2-O 2.9Å; N123-S172 PolarHBondContact ND2-OG 2.86Å; N123-V175 HydrophobicContact CB-CB 3.79Å; N123-V175 HydrophobicContact CB-CG1 3.74Å; N123-V175 HydrophobicContact CB-CG2 4.15Å; N123-D176 PolarHBondContact ND2-OD1 2.93Å
124	I	98.4	Very high	96.4	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-64.4	-30	177.6	-53.4	164.1	0	0	0	110.7	E9 T57 V61 L115 E120 G121 F126 E127 V128	E9-I124 HydrophobicContact CG-CD1 4.08Å; T57-I124 HydrophobicContact CG2-CG2 4.41Å; V61-I124 HydrophobicContact CG2-CG2 4.34Å; L115-I124 HydrophobicContact CD2-CB 3.34Å; L115-I124 HydrophobicContact CD2-CG2 3.16Å; E120-I124 VanDerWaalsContact O-CG1 3.29Å; E120-I124 WeakPolarHBondContact O-CG1 3.42Å; E120-I124 PolarHBondContact O-N 2.9Å; G121-I124 PolarHBondContact O-N 3.38Å; I124-F126 VanDerWaalsContact C-N 3.28Å; I124-F126 PolarHBondContact O-N 3.09Å; I124-E127 WeakPolarHBondContact O-CB 3.35Å; I124-E127 PolarHBondContact O-N 3.41Å; I124-E127 VanDerWaalsContact O-N 3.16Å; I124-V128 HydrophobicContact CG2-CG2 4.4Å; I124-V128 WeakPolarHBondContact O-CG2 3.46Å; I124-V128 PolarHBondContact O-N 3.13Å
125	C	98.6	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-53.5	-46.1	171.8	-73	0	0	0	0	111.6	L113 L115 G121 E122 N123 V128 I129 P167	L113-C125 HydrophobicContact CD1-CB 3.8Å; L113-C125 HydrophobicContact CD2-CB 4.35Å; L113-C125 HydrophobicContact CG-CB 4.48Å; L115-C125 VanDerWaalsContact CD1-SG 3.6Å; G121-C125 PolarHBondContact O-N 2.84Å; G121-C125 PolarHBondContact O-SG 2.88Å; E122-C125 WeakPolarHBondContact O-CB 3.49Å; E122-C125 PolarHBondContact O-N 2.89Å; N123-C125 PolarHBondContact O-N 3.38Å; C125-V128 PolarHBondContact O-N 2.86Å; C125-I129 VanDerWaalsContact O-CG1 3.24Å; C125-I129 WeakPolarHBondContact O-CG1 3.49Å; C125-I129 PolarHBondContact O-N 2.96Å; C125-P167 HydrophobicContact CB-CB 4.44Å
126	F	98	Very high	95.5	Very high	48 Å²	48	27 Å²	27	21%	0.211	14%	0.138	C	C	.	.	H	α-helix	trans	-74.2	-28.2	-180	-72.7	-89.3	0	0	0	113	E122 N123 I124 I129 A130 P167 N168 Y169	E122-F126 VanDerWaalsContact O-CD2 3.31Å; E122-F126 WeakPolarHBondContact O-CD2 3.3Å; E122-F126 PolarHBondContact O-N 2.88Å; N123-F126 PolarHBondContact O-N 2.87Å; N123-F126 VanDerWaalsContact O-N 3.08Å; I124-F126 VanDerWaalsContact C-N 3.28Å; I124-F126 PolarHBondContact O-N 3.09Å; F126-I129 HydrophobicContact CD1-CD1 4.01Å; F126-I129 HydrophobicContact CE1-CD1 4.17Å; F126-I129 HydrophobicContact CG-CD1 4.38Å; F126-A130 WeakPolarHBondContact O-CB 3.38Å; F126-A130 PolarHBondContact O-N 3.1Å; F126-P167 HydrophobicContact CE2-CB 3.89Å; F126-P167 HydrophobicContact CZ-CB 3.91Å; F126-P167 HydrophobicContact CZ-CG 4.09Å; F126-N168 WeakPolarHBondContact CE2-O 3.24Å; F126-Y169 AromaticContact CD1-CD2 3.88Å; F126-Y169 HydrophobicContact CD1-CD2 3.88Å; F126-Y169 AromaticContact CE1-CD2 3.6Å; F126-Y169 HydrophobicContact CE1-CD2 3.6Å; F126-Y169 HydrophobicContact CE1-CG 4.26Å; F126-Y169 HydrophobicContact CG-CD2 4.44Å; F126-Y169 AromaticContact CZ-CD2 3.96Å; F126-Y169 HydrophobicContact CZ-CD2 3.96Å; F126-Y169 HydrophobicContact CZ-CG 4.31Å
127	E	98.2	Very high	94.7	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-43.3	168	-60.3	-179.5	163.9	0	0	111.6	H60 V61 M62 N123 I124 A130 A131	H60-E127 IonicContact CE1-OE1 2.62Å; H60-E127 IonicContact ND1-OE1 2.72Å; H60-E127 PolarHBondContact ND1-OE1 2.8Å; H60-E127 VanDerWaalsContact ND1-OE1 3.11Å; H60-E127 IonicContact ND1-OE2 2.74Å; V61-E127 WeakPolarHBondContact CA-OE2 3.5Å; V61-E127 HydrophobicContact CB-CB 4.1Å; V61-E127 WeakPolarHBondContact CB-OE2 3.27Å; V61-E127 HydrophobicContact CG2-CB 4.37Å; V61-E127 PolarHBondContact N-OE2 2.92Å; M62-E127 HydrophobicContact CB-CG 4.37Å; M62-E127 WeakPolarHBondContact CB-OE1 3.48Å; M62-E127 HydrophobicContact CG-CB 4.33Å; M62-E127 HydrophobicContact CG-CG 4.08Å; M62-E127 PolarHBondContact N-OE2 3.26Å; M62-E127 VanDerWaalsContact N-OE2 3.11Å; N123-E127 PolarHBondContact O-N 2.85Å; I124-E127 WeakPolarHBondContact O-CB 3.35Å; I124-E127 PolarHBondContact O-N 3.41Å; I124-E127 VanDerWaalsContact O-N 3.16Å; E127-A130 PolarHBondContact O-N 2.82Å; E127-A131 PolarHBondContact O-N 2.91Å
128	V	98.2	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-46.4	176	171.6	0	0	0	0	110.9	V7 T57 V61 L101 L113 L115 I124 C125 A130 A131 V132	V7-V128 HydrophobicContact CB-CG1 3.99Å; V7-V128 HydrophobicContact CG1-CG1 3.98Å; V7-V128 HydrophobicContact CG1-CG2 3.97Å; V7-V128 HydrophobicContact CG2-CG1 3.88Å; T57-V128 HydrophobicContact CG2-CG2 3.57Å; V61-V128 HydrophobicContact CG2-CG2 4.48Å; L101-V128 HydrophobicContact CD1-CG2 4.09Å; L113-V128 HydrophobicContact CD2-CB 4.14Å; L113-V128 HydrophobicContact CD2-CG1 3.86Å; L115-V128 HydrophobicContact CD2-CG2 4.45Å; I124-V128 HydrophobicContact CG2-CG2 4.4Å; I124-V128 WeakPolarHBondContact O-CG2 3.46Å; I124-V128 PolarHBondContact O-N 3.13Å; C125-V128 PolarHBondContact O-N 2.86Å; V128-A130 VanDerWaalsContact C-N 3.3Å; V128-A130 PolarHBondContact O-N 3.18Å; V128-A131 PolarHBondContact O-N 3.49Å; V128-V132 HydrophobicContact CG1-CG2 4.14Å; V128-V132 WeakPolarHBondContact O-CB 3.44Å; V128-V132 VanDerWaalsContact O-CG2 3.3Å; V128-V132 WeakPolarHBondContact O-CG2 3.46Å; V128-V132 PolarHBondContact O-N 3.43Å
129	I	97.5	Very high	93.8	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-56.4	-46.6	176.3	-69.1	164.1	0	0	0	110.3	L111 L113 C125 F126 A131 V132 R133 I144 P167	L111-I129 HydrophobicContact CD2-CG1 3.99Å; L113-I129 HydrophobicContact CD1-CD1 3.99Å; L113-I129 HydrophobicContact CD1-CG1 4.2Å; C125-I129 VanDerWaalsContact O-CG1 3.24Å; C125-I129 WeakPolarHBondContact O-CG1 3.49Å; C125-I129 PolarHBondContact O-N 2.96Å; F126-I129 HydrophobicContact CD1-CD1 4.01Å; F126-I129 HydrophobicContact CE1-CD1 4.17Å; F126-I129 HydrophobicContact CG-CD1 4.38Å; I129-A131 PolarHBondContact O-N 3.36Å; I129-V132 PolarHBondContact O-N 2.88Å; I129-R133 HydrophobicContact CG2-CG 4.41Å; I129-R133 WeakPolarHBondContact O-CB 3.37Å; I129-R133 VanDerWaalsContact O-CG 3.31Å; I129-R133 WeakPolarHBondContact O-CG 3.43Å; I129-R133 PolarHBondContact O-N 3.29Å; I129-I144 HydrophobicContact CD1-CD1 4.44Å; I129-I144 HydrophobicContact CD1-CG2 3.91Å; I129-I144 HydrophobicContact CG1-CD1 4.26Å; I129-I144 HydrophobicContact CG1-CG2 4.06Å; I129-I144 HydrophobicContact CG2-CD1 3.93Å; I129-P167 HydrophobicContact CD1-CG 4.04Å
130	A	95.8	Very high	93.6	Very high	60 Å²	60	40.9 Å²	40.9	50%	0.496	21%	0.214	S	C	.	.	H	α-helix	trans	-61.2	-43.3	178.7	0	0	0	0	0	112.2	F126 E127 V128	F126-A130 WeakPolarHBondContact O-CB 3.38Å; F126-A130 PolarHBondContact O-N 3.1Å; E127-A130 PolarHBondContact O-N 2.82Å; V128-A130 VanDerWaalsContact C-N 3.3Å; V128-A130 PolarHBondContact O-N 3.18Å
131	A	96.3	Very high	93.3	Very high	3 Å²	3	44 Å²	44	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-66.4	-43.5	178.1	0	0	0	0	0	112.7	V98 L101 A102 E127 V128 I129 L134	V98-A131 HydrophobicContact CB-CB 4.47Å; V98-A131 HydrophobicContact CG1-CB 4.06Å; L101-A131 HydrophobicContact CB-CB 4.02Å; L101-A131 HydrophobicContact CD1-CB 3.91Å; A102-A131 WeakPolarHBondContact CB-O 3.36Å; E127-A131 PolarHBondContact O-N 2.91Å; V128-A131 PolarHBondContact O-N 3.49Å; I129-A131 PolarHBondContact O-N 3.36Å; A131-L134 WeakPolarHBondContact O-CB 3.03Å; A131-L134 WeakPolarHBondContact O-CG 3.38Å; A131-L134 PolarHBondContact O-N 3.16Å
132	V	95.7	Very high	93.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-39.4	-179.9	164.2	0	0	0	0	111.6	L5 A105 L111 V128 I129 L134 E135 M136 L139	L5-V132 HydrophobicContact CD2-CG2 3.83Å; A105-V132 HydrophobicContact CB-CB 4.21Å; A105-V132 HydrophobicContact CB-CG1 3.72Å; A105-V132 HydrophobicContact CB-CG2 4.17Å; L111-V132 HydrophobicContact CD1-CG2 4.5Å; L111-V132 HydrophobicContact CD2-CB 4.49Å; L111-V132 HydrophobicContact CD2-CG1 4.33Å; L111-V132 HydrophobicContact CD2-CG2 4.46Å; V128-V132 HydrophobicContact CG1-CG2 4.14Å; V128-V132 WeakPolarHBondContact O-CB 3.44Å; V128-V132 VanDerWaalsContact O-CG2 3.3Å; V128-V132 WeakPolarHBondContact O-CG2 3.46Å; V128-V132 PolarHBondContact O-N 3.43Å; I129-V132 PolarHBondContact O-N 2.88Å; V132-L134 PolarHBondContact O-N 3.07Å; V132-L134 VanDerWaalsContact O-N 3.11Å; V132-E135 PolarHBondContact O-N 3.46Å; V132-M136 HydrophobicContact CG1-CG 4.39Å; V132-M136 HydrophobicContact CG1-SD 3.71Å; V132-M136 PolarHBondContact O-N 2.89Å; V132-M136 VanDerWaalsContact O-N 3.16Å; V132-L139 HydrophobicContact CG1-CD2 3.95Å
133	R	94.4	Very high	92.9	Very high	95 Å²	95	48.3 Å²	48.3	36%	0.358	26%	0.264	S	S	.	.	H	α-helix	trans	-60.4	-20	178.7	-82.6	178.7	165.8	162.3	0.4	114.4	I129 E135 M136 P137 D141	I129-R133 HydrophobicContact CG2-CG 4.41Å; I129-R133 WeakPolarHBondContact O-CB 3.37Å; I129-R133 VanDerWaalsContact O-CG 3.31Å; I129-R133 WeakPolarHBondContact O-CG 3.43Å; I129-R133 PolarHBondContact O-N 3.29Å; R133-E135 PolarHBondContact O-N 2.84Å; R133-M136 CarbonylContact O-C 3.33Å; R133-M136 VanDerWaalsContact O-C 3.32Å; R133-M136 PolarHBondContact O-N 3.19Å; R133-P137 WeakPolarHBondContact O-CA 3.48Å; R133-D141 IonicContact CZ-OD1 3.51Å; R133-D141 IonicContact NH2-OD1 2.84Å; R133-D141 PolarHBondContact NH2-OD1 3.34Å
134	L	92.1	Very high	92.9	Very high	120 Å²	120	48.5 Å²	48.5	63%	0.628	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-33.8	175.5	-64.7	175.8	0	0	0	112.9	V98 A102 A131 V132	V98-L134 HydrophobicContact CG1-CD1 3.57Å; A102-L134 HydrophobicContact CB-CB 4.24Å; A102-L134 HydrophobicContact CB-CD1 4.5Å; A131-L134 WeakPolarHBondContact O-CB 3.03Å; A131-L134 WeakPolarHBondContact O-CG 3.38Å; A131-L134 PolarHBondContact O-N 3.16Å; V132-L134 PolarHBondContact O-N 3.07Å; V132-L134 VanDerWaalsContact O-N 3.11Å
135	E	90.9	Very high	92.9	Very high	81 Å²	81	50.2 Å²	50.2	38%	0.379	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-4.2	179	-67	-88.8	-178.7	0	0	111.9	A102 R106 V132 R133	A102-E135 HydrophobicContact CB-CG 3.81Å; A102-E135 WeakPolarHBondContact O-CB 3.45Å; A102-E135 WeakPolarHBondContact O-CG 3.31Å; R106-E135 HydrophobicContact CG-CB 4.16Å; R106-E135 HydrophobicContact CG-CG 4.35Å; R106-E135 WeakPolarHBondContact CG-OE2 3.47Å; R106-E135 IonicContact CZ-OE1 3.12Å; R106-E135 IonicContact CZ-OE2 2.87Å; R106-E135 VanDerWaalsContact NE-CD 3.3Å; R106-E135 IonicContact NE-OE1 3.67Å; R106-E135 PolarHBondContact NE-OE1 2.66Å; R106-E135 IonicContact NE-OE2 2.7Å; R106-E135 PolarHBondContact NE-OE2 3.5Å; R106-E135 IonicContact NH2-OE1 3.1Å; R106-E135 PolarHBondContact NH2-OE1 3.33Å; R106-E135 IonicContact NH2-OE2 2.61Å; V132-E135 PolarHBondContact O-N 3.46Å; R133-E135 PolarHBondContact O-N 2.84Å
136	M	86.5	Confident	92.8	Very high	20 Å²	20	50.2 Å²	50.2	10%	0.099	27%	0.271	C	S	.	.			trans	-130.5	62.5	175.4	-59.4	-177.5	65	0	0	111.8	A105 V108 V132 R133 H138 L139	A105-M136 HydrophobicContact CB-CG 4.07Å; A105-M136 HydrophobicContact CB-SD 3.86Å; A105-M136 VanDerWaalsContact O-CG 3.31Å; A105-M136 WeakPolarHBondContact O-CG 3.27Å; V108-M136 HydrophobicContact CB-CE 4.02Å; V108-M136 HydrophobicContact CB-SD 3.72Å; V108-M136 HydrophobicContact CG1-CE 4.12Å; V108-M136 HydrophobicContact CG1-SD 4.05Å; V108-M136 WeakPolarHBondContact O-CE 3.49Å; V132-M136 HydrophobicContact CG1-CG 4.39Å; V132-M136 HydrophobicContact CG1-SD 3.71Å; V132-M136 PolarHBondContact O-N 2.89Å; V132-M136 VanDerWaalsContact O-N 3.16Å; R133-M136 CarbonylContact O-C 3.33Å; R133-M136 VanDerWaalsContact O-C 3.32Å; R133-M136 PolarHBondContact O-N 3.19Å; M136-H138 PolarHBondContact O-N 3.13Å; M136-H138 VanDerWaalsContact O-N 3.1Å; M136-L139 HydrophobicContact CB-CB 3.98Å; M136-L139 HydrophobicContact CE-CB 4.13Å; M136-L139 HydrophobicContact CE-CD1 3.85Å; M136-L139 HydrophobicContact CE-CD2 4.19Å; M136-L139 HydrophobicContact CE-CG 4.27Å; M136-L139 VanDerWaalsContact O-CB 3.3Å; M136-L139 WeakPolarHBondContact O-CB 2.81Å; M136-L139 PolarHBondContact O-N 3.42Å; M136-L139 HydrophobicContact SD-CD2 4.39Å
137	P	79.4	Confident	92.8	Very high	96 Å²	96	47.9 Å²	47.9	62%	0.623	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.8	-175.4	25.5	-35	0	0	0	113.5	R133	R133-P137 WeakPolarHBondContact O-CA 3.48Å
138	H	82.6	Confident	92.7	Very high	174 Å²	174	51.7 Å²	51.7	81%	0.806	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	10.2	177.1	-53.7	-58.7	0	0	0	113.7	M136 V140	M136-H138 PolarHBondContact O-N 3.13Å; M136-H138 VanDerWaalsContact O-N 3.1Å; H138-V140 PolarHBondContact O-N 3.19Å
139	L	86.3	Confident	92.6	Very high	9 Å²	9	51.7 Å²	51.7	5%	0.047	28%	0.278	C	S	.	.			trans	-67.4	99.6	173.6	-178.5	61.2	0	0	0	109.9	L111 V132 M136 N143 I144	L111-L139 HydrophobicContact CB-CD2 4.21Å; L111-L139 HydrophobicContact CD2-CD2 4.44Å; V132-L139 HydrophobicContact CG1-CD2 3.95Å; M136-L139 HydrophobicContact CB-CB 3.98Å; M136-L139 HydrophobicContact CE-CB 4.13Å; M136-L139 HydrophobicContact CE-CD1 3.85Å; M136-L139 HydrophobicContact CE-CD2 4.19Å; M136-L139 HydrophobicContact CE-CG 4.27Å; M136-L139 VanDerWaalsContact O-CB 3.3Å; M136-L139 WeakPolarHBondContact O-CB 2.81Å; M136-L139 PolarHBondContact O-N 3.42Å; M136-L139 HydrophobicContact SD-CD2 4.39Å; L139-N143 HydrophobicContact CD1-CB 3.68Å; L139-I144 HydrophobicContact CD1-CG1 4.31Å; L139-I144 HydrophobicContact CD2-CD1 4.06Å; L139-I144 HydrophobicContact CD2-CG1 3.89Å; L139-I144 HydrophobicContact CG-CD1 4.16Å; L139-I144 HydrophobicContact CG-CG1 3.93Å
140	V	89.9	Confident	92.4	Very high	82 Å²	82	52.1 Å²	52.1	50%	0.497	28%	0.282	S	S	.	.			trans	-69.3	146.3	174.9	-64.4	0	0	0	0	111	H138 A142 N143	H138-V140 PolarHBondContact O-N 3.19Å; V140-A142 HydrophobicContact CG2-CB 4.28Å; V140-A142 PolarHBondContact O-N 3.34Å; V140-A142 VanDerWaalsContact O-N 3.11Å; V140-N143 HydrophobicContact CG2-CB 4.2Å; V140-N143 PolarHBondContact O-N 3.25Å
141	D	89.4	Confident	92.1	Very high	110 Å²	110	49.6 Å²	49.6	59%	0.588	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-56.4	-30.8	-179.6	-65.8	-38	0	0	0	112.6	R133 N143 I144 R166	R133-D141 IonicContact CZ-OD1 3.51Å; R133-D141 IonicContact NH2-OD1 2.84Å; R133-D141 PolarHBondContact NH2-OD1 3.34Å; D141-N143 PolarHBondContact O-N 3.19Å; D141-N143 VanDerWaalsContact O-N 3.11Å; D141-I144 PolarHBondContact O-N 2.9Å; D141-R166 PolarHBondContact O-NH1 2.76Å
142	A	90.6	Very high	91.9	Very high	55 Å²	55	49.9 Å²	49.9	46%	0.455	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-61.1	-18.4	175.6	0	0	0	0	0	114.1	V140 Y145 R166	V140-A142 HydrophobicContact CG2-CB 4.28Å; V140-A142 PolarHBondContact O-N 3.34Å; V140-A142 VanDerWaalsContact O-N 3.11Å; A142-Y145 PolarHBondContact O-OH 2.85Å; A142-R166 VanDerWaalsContact O-CZ 3.26Å; A142-R166 PolarHBondContact O-NH1 2.92Å; A142-R166 PolarHBondContact O-NH2 3.09Å
143	N	94.5	Very high	91.5	Very high	45 Å²	45	50.7 Å²	50.7	24%	0.241	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-100.1	4.1	177.2	-70.1	-3.3	0	0	0	113.2	S109 Y110 L111 L139 V140 D141	S109-N143 PolarHBondContact O-ND2 2.87Å; Y110-N143 HydrophobicContact CD1-CB 3.7Å; Y110-N143 HydrophobicContact CE1-CB 4.2Å; Y110-N143 WeakPolarHBondContact CE1-OD1 3.29Å; L111-N143 PolarHBondContact N-O 2.87Å; L139-N143 HydrophobicContact CD1-CB 3.68Å; V140-N143 HydrophobicContact CG2-CB 4.2Å; V140-N143 PolarHBondContact O-N 3.25Å; D141-N143 PolarHBondContact O-N 3.19Å; D141-N143 VanDerWaalsContact O-N 3.11Å
144	I	97	Very high	91.3	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115.1	177.3	-56.3	175.1	0	0	0	109	L111 L113 I129 L139 D141 R166 P167	L111-I144 HydrophobicContact CB-CG1 4.49Å; L111-I144 HydrophobicContact CD2-CG2 4.26Å; L111-I144 WeakPolarHBondContact O-CA 2.93Å; L113-I144 HydrophobicContact CD1-CG2 3.9Å; I129-I144 HydrophobicContact CD1-CD1 4.44Å; I129-I144 HydrophobicContact CD1-CG2 3.91Å; I129-I144 HydrophobicContact CG1-CD1 4.26Å; I129-I144 HydrophobicContact CG1-CG2 4.06Å; I129-I144 HydrophobicContact CG2-CD1 3.93Å; L139-I144 HydrophobicContact CD1-CG1 4.31Å; L139-I144 HydrophobicContact CD2-CD1 4.06Å; L139-I144 HydrophobicContact CD2-CG1 3.89Å; L139-I144 HydrophobicContact CG-CD1 4.16Å; L139-I144 HydrophobicContact CG-CG1 3.93Å; D141-I144 PolarHBondContact O-N 2.9Å; I144-R166 WeakPolarHBondContact O-CD 3.39Å; I144-R166 PolarHBondContact O-NH1 2.92Å; I144-P167 HydrophobicContact CG2-CG 4.17Å
145	Y	98	Very high	91.2	Very high	38 Å²	38	48.4 Å²	48.4	15%	0.149	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	155.3	-179.1	-64.9	-83.9	0	0	0	110.8	Y110 L111 V112 L113 A142 L164 I165	Y110-Y145 HydrophobicContact CD1-CE2 4.03Å; L111-Y145 PolarHBondContact O-N 2.88Å; V112-Y145 CarbonylContact C-O 3.6Å; V112-Y145 WeakPolarHBondContact CA-O 3.47Å; L113-Y145 PolarHBondContact N-O 3.27Å; A142-Y145 PolarHBondContact O-OH 2.85Å; Y145-L164 HydrophobicContact CD1-CB 3.88Å; Y145-L164 HydrophobicContact CD1-CD1 4.25Å; Y145-L164 HydrophobicContact CG-CB 4.31Å; Y145-L164 HydrophobicContact CG-CD1 4.06Å; Y145-I165 CarbonylContact C-O 3.56Å; Y145-I165 WeakPolarHBondContact CA-O 3.4Å
146	R	98.1	Very high	91.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.7	175.6	172.3	58	172.5	142.6	-16.6	108.9	L113 L115 D116 E122 I165 P167	L113-R146 PolarHBondContact O-NH1 3.26Å; L115-R146 VanDerWaalsContact O-CZ 3.24Å; L115-R146 PolarHBondContact O-NH1 3.27Å; L115-R146 PolarHBondContact O-NH2 3.43Å; D116-R146 PolarHBondContact O-NH2 2.75Å; E122-R146 IonicContact OE1-CZ 3.62Å; E122-R146 IonicContact OE1-NE 3.06Å; E122-R146 PolarHBondContact OE1-NE 3.38Å; E122-R146 IonicContact OE1-NH2 2.61Å; E122-R146 PolarHBondContact OE1-NH2 2.83Å; R146-I165 HydrophobicContact CB-CG1 4.02Å; R146-I165 HydrophobicContact CG-CD1 4.36Å; R146-I165 HydrophobicContact CG-CG1 4.05Å; R146-I165 PolarHBondContact N-O 2.93Å; R146-I165 VanDerWaalsContact O-CG1 3.28Å; R146-I165 WeakPolarHBondContact O-CG1 3.06Å; R146-I165 PolarHBondContact O-N 3.1Å; R146-P167 HydrophobicContact CB-CB 4.32Å
147	A	98.2	Very high	91.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.263	C	S	.	.			trans	-84.6	128.6	171.4	0	0	0	0	0	109	V112 L113 W114 A160 L164	V112-A147 HydrophobicContact CG1-CB 4.44Å; L113-A147 PolarHBondContact O-N 2.82Å; W114-A147 HydrophobicContact CD2-CB 3.51Å; W114-A147 HydrophobicContact CE3-CB 3.53Å; W114-A147 HydrophobicContact CG-CB 4.18Å; W114-A147 HydrophobicContact CH2-CB 3.73Å; W114-A147 HydrophobicContact CZ2-CB 3.7Å; W114-A147 HydrophobicContact CZ3-CB 3.64Å; A147-A160 HydrophobicContact CB-CB 4.31Å; A147-L164 HydrophobicContact CB-CD2 3.79Å
148	H	96.2	Very high	92.4	Very high	88 Å²	88	45.5 Å²	45.5	41%	0.407	25%	0.253	S	S	.	.			trans	-108.2	118.9	178	-170.7	-83.5	0	0	0	109.7	A160 I165	H148-A160 WeakPolarHBondContact O-CB 3.39Å; H148-I165 HydrophobicContact CB-CD1 4.08Å; H148-I165 HydrophobicContact CB-CG1 4.44Å
149	F	95.1	Very high	92.9	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	23%	0.232	C	C	.	.			trans	-147.8	154.2	-174.7	62.2	-77.4	0	0	0	110.4	I17 W114 L115 C117 L152 I157 A160 Y326	I17-F149 HydrophobicContact CD1-CZ 4.33Å; W114-F149 AromaticContact CE3-CD1 3.84Å; W114-F149 HydrophobicContact CE3-CD1 3.84Å; W114-F149 AromaticContact CE3-CE1 3.79Å; W114-F149 HydrophobicContact CE3-CE1 3.79Å; W114-F149 HydrophobicContact CE3-CZ 4.45Å; W114-F149 HydrophobicContact CZ3-CD1 4.05Å; W114-F149 HydrophobicContact CZ3-CE1 4.44Å; W114-F149 HydrophobicContact CZ3-CG 4.47Å; L115-F149 WeakPolarHBondContact O-CE1 3.22Å; C117-F149 PolarHBondContact SG-N 2.93Å; C117-F149 VanDerWaalsContact SG-N 3.35Å; C117-F149 PolarHBondContact SG-O 3.23Å; C117-F149 VanDerWaalsContact SG-O 3.32Å; F149-L152 HydrophobicContact CE2-CD2 4.09Å; F149-I157 HydrophobicContact CB-CD1 4.17Å; F149-I157 HydrophobicContact CD2-CD1 3.77Å; F149-I157 HydrophobicContact CE2-CD1 4.35Å; F149-I157 HydrophobicContact CG-CD1 3.99Å; F149-A160 HydrophobicContact CB-CB 4.04Å; F149-Y326 WeakPolarHBondContact CE2-OH 3.28Å
150	S	92.6	Very high	93.4	Very high	15 Å²	15	39.1 Å²	39.1	11%	0.105	23%	0.231	C	C	.	.	S	Bend	trans	-119.9	-5.8	-178.7	-65.2	0	0	0	0	113.5	D156 Y333 H384 P385	S150-D156 PolarHBondContact N-OD2 2.82Å; S150-Y333 WeakPolarHBondContact O-CB 3.32Å; S150-Y333 PolarHBondContact O-N 3.32Å; S150-H384 PolarHBondContact OG-ND1 3.43Å; S150-P385 WeakPolarHBondContact OG-CD 3.36Å
151	S	91.2	Very high	93.8	Very high	7 Å²	7	36.5 Å²	36.5	5%	0.049	21%	0.214	C	C	.	.	S	Bend	trans	-154.2	163.9	180	70.2	0	0	0	0	110.8	A153 D156 M390	S151-A153 PolarHBondContact O-N 3.34Å; S151-A153 PolarHBondContact OG-N 2.88Å; S151-D156 PolarHBondContact N-OD2 3.41Å; S151-D156 WeakPolarHBondContact OG-CB 3.44Å; S151-D156 PolarHBondContact OG-OD2 3Å; S151-M390 WeakPolarHBondContact OG-CE 3.34Å
152	L	91.3	Very high	94.1	Very high	8 Å²	8	35 Å²	35	4%	0.042	22%	0.217	C	C	.	.			trans	-90.1	19.3	172.3	-58.7	178.4	0	0	0	112.7	L13 T16 I17 I20 F149 I157 Y326 T327	L13-L152 HydrophobicContact CD2-CD1 3.63Å; L13-L152 HydrophobicContact CD2-CD2 3.81Å; L13-L152 HydrophobicContact CD2-CG 4.21Å; T16-L152 HydrophobicContact CG2-CB 4.17Å; T16-L152 HydrophobicContact CG2-CD1 4.17Å; I17-L152 HydrophobicContact CD1-CD2 4.45Å; I17-L152 HydrophobicContact CG1-CD2 4.15Å; I20-L152 VanDerWaalsContact CD1-O 3.23Å; I20-L152 WeakPolarHBondContact CD1-O 3.09Å; F149-L152 HydrophobicContact CE2-CD2 4.09Å; L152-I157 HydrophobicContact CD2-CD1 4.23Å; L152-Y326 VanDerWaalsContact CD1-O 3.32Å; L152-Y326 WeakPolarHBondContact CD1-O 3.47Å; L152-Y326 HydrophobicContact CG-CE2 4.48Å; L152-T327 VanDerWaalsContact CD1-O 3.22Å; L152-T327 WeakPolarHBondContact CD1-O 3.47Å
153	A	87.1	Confident	94.3	Very high	18 Å²	18	37.9 Å²	37.9	15%	0.149	23%	0.225	C	C	.	.			trans	-66.8	141.6	175.2	0	0	0	0	0	110.6	S151 S155 D156 I157 M390	S151-A153 PolarHBondContact O-N 3.34Å; S151-A153 PolarHBondContact OG-N 2.88Å; A153-S155 PolarHBondContact O-N 2.85Å; A153-S155 VanDerWaalsContact O-N 3.14Å; A153-D156 HydrophobicContact CB-CB 4.4Å; A153-D156 PolarHBondContact O-N 2.82Å; A153-D156 VanDerWaalsContact O-N 3.09Å; A153-I157 PolarHBondContact O-N 3.49Å; A153-M390 HydrophobicContact CB-CE 3.7Å
154	P	90.2	Very high	94.4	Very high	75 Å²	75	37.4 Å²	37.4	49%	0.487	22%	0.222	S	C	.	.	H	α-helix	trans	-55.6	-33.9	179.5	-28.8	35.3	0	0	0	114.6	I20 K158	I20-P154 HydrophobicContact CD1-CG 4.47Å; I20-P154 HydrophobicContact CG1-CG 4.38Å; I20-P154 HydrophobicContact CG2-CB 4.05Å; P154-K158 VanDerWaalsContact O-CB 3.27Å; P154-K158 WeakPolarHBondContact O-CB 3.2Å; P154-K158 WeakPolarHBondContact O-CD 3.39Å; P154-K158 WeakPolarHBondContact O-CG 3.5Å; P154-K158 PolarHBondContact O-N 3.24Å; P154-K158 VanDerWaalsContact O-N 3.12Å
155	S	89.6	Confident	94.4	Very high	91 Å²	91	41 Å²	41	64%	0.636	24%	0.241	S	C	*	.	H	α-helix	trans	-65.5	-47.5	176.3	45.3	0	0	0	0	112.1	A153 K158 A159	A153-S155 PolarHBondContact O-N 2.85Å; A153-S155 VanDerWaalsContact O-N 3.14Å; S155-K158 PolarHBondContact O-N 3.23Å; S155-A159 VanDerWaalsContact O-CB 3.31Å; S155-A159 WeakPolarHBondContact O-CB 3.49Å; S155-A159 PolarHBondContact O-N 3.36Å
156	D	91.2	Very high	94.4	Very high	42 Å²	42	44.7 Å²	44.7	23%	0.225	25%	0.254	C	S	.	.	H	α-helix	trans	-67.2	-46	-176.7	-163.2	23.1	0	0	0	111.1	S150 S151 A153 K158 A159 A160	S150-D156 PolarHBondContact N-OD2 2.82Å; S151-D156 PolarHBondContact N-OD2 3.41Å; S151-D156 WeakPolarHBondContact OG-CB 3.44Å; S151-D156 PolarHBondContact OG-OD2 3Å; A153-D156 HydrophobicContact CB-CB 4.4Å; A153-D156 PolarHBondContact O-N 2.82Å; A153-D156 VanDerWaalsContact O-N 3.09Å; D156-K158 PolarHBondContact O-N 3.31Å; D156-A159 PolarHBondContact O-N 2.71Å; D156-A160 WeakPolarHBondContact O-CB 3.11Å; D156-A160 PolarHBondContact O-N 2.67Å
157	I	95.4	Very high	94.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-42.3	176	-63.1	-56.4	0	0	0	111.9	I17 I20 L21 W114 F149 L152 A153 A160 M161	I17-I157 HydrophobicContact CG1-CD1 4.04Å; I17-I157 HydrophobicContact CG2-CG2 3.89Å; I20-I157 HydrophobicContact CB-CG2 4.29Å; I20-I157 HydrophobicContact CD1-CB 4.37Å; I20-I157 HydrophobicContact CD1-CG1 3.98Å; I20-I157 HydrophobicContact CG2-CB 4.02Å; I20-I157 HydrophobicContact CG2-CG2 3.84Å; L21-I157 HydrophobicContact CD2-CG2 3.83Å; L21-I157 HydrophobicContact CG-CG2 3.97Å; W114-I157 HydrophobicContact CE3-CD1 4.43Å; W114-I157 HydrophobicContact CH2-CG2 3.89Å; W114-I157 WeakPolarHBondContact CH2-O 3.26Å; W114-I157 HydrophobicContact CZ3-CD1 3.81Å; W114-I157 HydrophobicContact CZ3-CG2 3.97Å; F149-I157 HydrophobicContact CB-CD1 4.17Å; F149-I157 HydrophobicContact CD2-CD1 3.77Å; F149-I157 HydrophobicContact CE2-CD1 4.35Å; F149-I157 HydrophobicContact CG-CD1 3.99Å; L152-I157 HydrophobicContact CD2-CD1 4.23Å; A153-I157 PolarHBondContact O-N 3.49Å; I157-A160 PolarHBondContact O-N 3.26Å; I157-M161 PolarHBondContact O-N 2.85Å
158	K	95.3	Very high	94.3	Very high	95 Å²	95	48.3 Å²	48.3	41%	0.413	28%	0.275	S	S	.	.	H	α-helix	trans	-67.2	-37.7	176.7	-74	175.1	179.7	-174.9	0	111.7	I20 N23 P154 S155 D156 M161 A162	I20-K158 HydrophobicContact CG2-CG 4.36Å; N23-K158 PolarHBondContact OD1-NZ 3.08Å; P154-K158 VanDerWaalsContact O-CB 3.27Å; P154-K158 WeakPolarHBondContact O-CB 3.2Å; P154-K158 WeakPolarHBondContact O-CD 3.39Å; P154-K158 WeakPolarHBondContact O-CG 3.5Å; P154-K158 PolarHBondContact O-N 3.24Å; P154-K158 VanDerWaalsContact O-N 3.12Å; S155-K158 PolarHBondContact O-N 3.23Å; D156-K158 PolarHBondContact O-N 3.31Å; K158-M161 PolarHBondContact O-N 2.81Å; K158-A162 PolarHBondContact O-N 3.29Å; K158-A162 VanDerWaalsContact O-N 3.11Å
159	A	94.6	Very high	94.3	Very high	44 Å²	44	49.9 Å²	49.9	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-66	-42.1	175.2	0	0	0	0	0	112	S155 D156 M161 A162 N163	S155-A159 VanDerWaalsContact O-CB 3.31Å; S155-A159 WeakPolarHBondContact O-CB 3.49Å; S155-A159 PolarHBondContact O-N 3.36Å; D156-A159 PolarHBondContact O-N 2.71Å; A159-M161 VanDerWaalsContact C-N 3.34Å; A159-M161 PolarHBondContact O-N 2.81Å; A159-A162 PolarHBondContact O-N 2.93Å; A159-N163 PolarHBondContact O-N 2.91Å; A159-N163 PolarHBondContact O-ND2 2.79Å
160	A	96.6	Very high	94.5	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.033	30%	0.301	C	S	.	.	H	α-helix	trans	-60.9	-42.3	175.6	0	0	0	0	0	111.8	W114 A147 H148 F149 D156 I157 A162 N163 L164	W114-A160 HydrophobicContact CH2-CB 3.95Å; W114-A160 HydrophobicContact CZ3-CB 3.98Å; A147-A160 HydrophobicContact CB-CB 4.31Å; H148-A160 WeakPolarHBondContact O-CB 3.39Å; F149-A160 HydrophobicContact CB-CB 4.04Å; D156-A160 WeakPolarHBondContact O-CB 3.11Å; D156-A160 PolarHBondContact O-N 2.67Å; I157-A160 PolarHBondContact O-N 3.26Å; A160-A162 VanDerWaalsContact C-N 3.31Å; A160-A162 PolarHBondContact O-N 2.77Å; A160-N163 CarbonylContact O-C 3.52Å; A160-N163 PolarHBondContact O-N 3.25Å; A160-L164 WeakPolarHBondContact O-CD2 3.24Å; A160-L164 PolarHBondContact O-N 2.98Å
161	M	97.1	Very high	94.7	Very high	28 Å²	28	58 Å²	58	14%	0.138	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-32.6	176	-172.5	61.9	-171	0	0	112.8	L21 L45 F52 W114 I157 K158 A159 L164	L21-M161 HydrophobicContact CD1-SD 4.49Å; L21-M161 HydrophobicContact CD2-CB 3.88Å; L21-M161 HydrophobicContact CD2-CG 4.06Å; L45-M161 HydrophobicContact CD1-CE 3.77Å; F52-M161 HydrophobicContact CE1-CE 3.49Å; F52-M161 VanDerWaalsContact CE1-CE 3.49Å; F52-M161 HydrophobicContact CE2-CE 4.18Å; F52-M161 HydrophobicContact CZ-CE 3.2Å; W114-M161 HydrophobicContact CH2-CB 4.16Å; W114-M161 HydrophobicContact CZ2-CB 4.09Å; W114-M161 HydrophobicContact CZ2-SD 3.88Å; I157-M161 PolarHBondContact O-N 2.85Å; K158-M161 PolarHBondContact O-N 2.81Å; A159-M161 VanDerWaalsContact C-N 3.34Å; A159-M161 PolarHBondContact O-N 2.81Å; M161-L164 HydrophobicContact SD-CD1 4.43Å
162	A	95.6	Very high	95	Very high	79 Å²	79	57.8 Å²	57.8	65%	0.653	31%	0.308	S	S	*	.	H	α-helix	trans	-76.5	-27.9	176.8	0	0	0	0	0	112.9	K158 A159 A160	K158-A162 PolarHBondContact O-N 3.29Å; K158-A162 VanDerWaalsContact O-N 3.11Å; A159-A162 PolarHBondContact O-N 2.93Å; A160-A162 VanDerWaalsContact C-N 3.31Å; A160-A162 PolarHBondContact O-N 2.77Å
163	N	95.8	Very high	95.3	Very high	114 Å²	114	58.2 Å²	58.2	61%	0.61	31%	0.31	S	S	*	.	S	Bend	trans	-120.9	54.7	-173.9	-58.9	-72	0	0	0	111.6	A159 A160	A159-N163 PolarHBondContact O-N 2.91Å; A159-N163 PolarHBondContact O-ND2 2.79Å; A160-N163 CarbonylContact O-C 3.52Å; A160-N163 PolarHBondContact O-N 3.25Å
164	L	97.1	Very high	95.7	Very high	35 Å²	35	57.6 Å²	57.6	18%	0.183	30%	0.304	C	S	.	.			trans	-65.1	137.6	179.1	-66.3	174.2	0	0	0	111.8	L45 V112 Y145 A147 A160 M161	L45-L164 HydrophobicContact CD1-CD1 3.57Å; V112-L164 HydrophobicContact CG1-CD1 4.21Å; V112-L164 HydrophobicContact CG1-CD2 3.67Å; V112-L164 HydrophobicContact CG2-CD1 4.35Å; Y145-L164 HydrophobicContact CD1-CB 3.88Å; Y145-L164 HydrophobicContact CD1-CD1 4.25Å; Y145-L164 HydrophobicContact CG-CB 4.31Å; Y145-L164 HydrophobicContact CG-CD1 4.06Å; A147-L164 HydrophobicContact CB-CD2 3.79Å; A160-L164 WeakPolarHBondContact O-CD2 3.24Å; A160-L164 PolarHBondContact O-N 2.98Å; M161-L164 HydrophobicContact SD-CD1 4.43Å
165	I	96.5	Very high	96.1	Very high	80 Å²	80	54.1 Å²	54.1	41%	0.41	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-111.9	-166.7	176.8	63.7	166.6	0	0	0	110.8	Y145 R146 H148	Y145-I165 CarbonylContact C-O 3.56Å; Y145-I165 WeakPolarHBondContact CA-O 3.4Å; R146-I165 HydrophobicContact CB-CG1 4.02Å; R146-I165 HydrophobicContact CG-CD1 4.36Å; R146-I165 HydrophobicContact CG-CG1 4.05Å; R146-I165 PolarHBondContact N-O 2.93Å; R146-I165 VanDerWaalsContact O-CG1 3.28Å; R146-I165 WeakPolarHBondContact O-CG1 3.06Å; R146-I165 PolarHBondContact O-N 3.1Å; H148-I165 HydrophobicContact CB-CD1 4.08Å; H148-I165 HydrophobicContact CB-CG1 4.44Å
166	R	96.9	Very high	96.4	Very high	114 Å²	114	51.2 Å²	51.2	43%	0.43	26%	0.259	S	S	.	.			trans	-107.4	147.2	173.3	-58.9	-58.7	-179.9	-178.1	-1.3	110.1	D141 A142 I144	D141-R166 PolarHBondContact O-NH1 2.76Å; A142-R166 VanDerWaalsContact O-CZ 3.26Å; A142-R166 PolarHBondContact O-NH1 2.92Å; A142-R166 PolarHBondContact O-NH2 3.09Å; I144-R166 WeakPolarHBondContact O-CD 3.39Å; I144-R166 PolarHBondContact O-NH1 2.92Å
167	P	97.7	Very high	96.7	Very high	25 Å²	25	49.2 Å²	49.2	16%	0.162	25%	0.249	C	C	.	.			trans	-64.6	146.2	176.6	28.8	-35.4	0	0	0	111	L113 C125 F126 I129 I144 R146	L113-P167 HydrophobicContact CD1-CB 3.99Å; L113-P167 HydrophobicContact CD1-CG 4.09Å; C125-P167 HydrophobicContact CB-CB 4.44Å; F126-P167 HydrophobicContact CE2-CB 3.89Å; F126-P167 HydrophobicContact CZ-CB 3.91Å; F126-P167 HydrophobicContact CZ-CG 4.09Å; I129-P167 HydrophobicContact CD1-CG 4.04Å; I144-P167 HydrophobicContact CG2-CG 4.17Å; R146-P167 HydrophobicContact CB-CB 4.32Å
168	N	96.9	Very high	96.8	Very high	52 Å²	52	51.8 Å²	51.8	28%	0.278	26%	0.258	S	S	.	.			trans	-95.1	102.1	-175	-172.9	-14.2	0	0	0	111.4	E122 F126 W170 Q171 S172	E122-N168 PolarHBondContact OE2-N 2.81Å; F126-N168 WeakPolarHBondContact CE2-O 3.24Å; N168-W170 VanDerWaalsContact C-N 3.29Å; N168-W170 PolarHBondContact O-N 3.15Å; N168-W170 WeakPolarHBondContact OD1-CB 3.39Å; N168-W170 PolarHBondContact OD1-N 3.4Å; N168-Q171 HydrophobicContact CB-CB 4.25Å; N168-Q171 HydrophobicContact CB-CG 4.39Å; N168-Q171 VanDerWaalsContact ND2-CD 3.27Å; N168-Q171 WeakPolarHBondContact ND2-CG 3.38Å; N168-Q171 PolarHBondContact ND2-OE1 3.48Å; N168-Q171 PolarHBondContact O-N 3.5Å; N168-Q171 PolarHBondContact OD1-N 3.09Å; N168-S172 PolarHBondContact O-N 2.88Å
169	Y	97.2	Very high	96.8	Very high	120 Å²	120	48.7 Å²	48.7	47%	0.471	25%	0.245	S	C	.	.	H	α-helix	trans	-62.8	-34.1	-178.8	-177.2	-118.3	0	0	0	113.5	F126 S172 L173	F126-Y169 AromaticContact CD1-CD2 3.88Å; F126-Y169 HydrophobicContact CD1-CD2 3.88Å; F126-Y169 AromaticContact CE1-CD2 3.6Å; F126-Y169 HydrophobicContact CE1-CD2 3.6Å; F126-Y169 HydrophobicContact CE1-CG 4.26Å; F126-Y169 HydrophobicContact CG-CD2 4.44Å; F126-Y169 AromaticContact CZ-CD2 3.96Å; F126-Y169 HydrophobicContact CZ-CD2 3.96Å; F126-Y169 HydrophobicContact CZ-CG 4.31Å; Y169-S172 WeakPolarHBondContact O-CB 3.31Å; Y169-S172 PolarHBondContact O-N 3.43Å; Y169-L173 HydrophobicContact CD1-CD1 3.85Å; Y169-L173 HydrophobicContact CD1-CG 4.3Å; Y169-L173 HydrophobicContact CE1-CD1 3.31Å; Y169-L173 HydrophobicContact CE1-CD2 4.46Å; Y169-L173 HydrophobicContact CE1-CG 3.84Å; Y169-L173 HydrophobicContact CE2-CD1 4.47Å; Y169-L173 HydrophobicContact CE2-CD2 4.39Å; Y169-L173 HydrophobicContact CE2-CG 4.1Å; Y169-L173 PolarHBondContact O-N 3.26Å
170	W	97.9	Very high	97	Very high	127 Å²	127	48.1 Å²	48.1	48%	0.481	24%	0.235	S	C	.	.	H	α-helix	trans	-69	-41.2	-177.6	-57.4	122.9	0	0	0	112	N168 L173 S174 I572 A573	N168-W170 VanDerWaalsContact C-N 3.29Å; N168-W170 PolarHBondContact O-N 3.15Å; N168-W170 WeakPolarHBondContact OD1-CB 3.39Å; N168-W170 PolarHBondContact OD1-N 3.4Å; W170-L173 HydrophobicContact CE3-CD1 3.9Å; W170-L173 HydrophobicContact CZ3-CD1 3.98Å; W170-L173 PolarHBondContact O-N 3.47Å; W170-S174 PolarHBondContact O-N 3.23Å; W170-I572 WeakPolarHBondContact CB-O 3.44Å; W170-A573 WeakPolarHBondContact CB-O 3.36Å
171	Q	96.7	Very high	97	Very high	60 Å²	60	48 Å²	48	28%	0.28	23%	0.234	S	C	.	.	H	α-helix	trans	-61.9	-44	172	-77.3	174.4	-25.5	0	0	111.4	K119 E122 N168 L173 S174 V175 A573	K119-Q171 HydrophobicContact CG-CB 4.47Å; K119-Q171 HydrophobicContact CG-CG 4.38Å; E122-Q171 HydrophobicContact CB-CB 4.17Å; E122-Q171 HydrophobicContact CG-CB 4.41Å; N168-Q171 HydrophobicContact CB-CB 4.25Å; N168-Q171 HydrophobicContact CB-CG 4.39Å; N168-Q171 VanDerWaalsContact ND2-CD 3.27Å; N168-Q171 WeakPolarHBondContact ND2-CG 3.38Å; N168-Q171 PolarHBondContact ND2-OE1 3.48Å; N168-Q171 PolarHBondContact O-N 3.5Å; N168-Q171 PolarHBondContact OD1-N 3.09Å; Q171-L173 PolarHBondContact O-N 3.26Å; Q171-S174 PolarHBondContact O-N 3.48Å; Q171-S174 PolarHBondContact O-OG 3.23Å; Q171-V175 PolarHBondContact O-N 3.35Å; Q171-A573 HydrophobicContact CG-CB 4.17Å
172	S	97.6	Very high	97	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-43.9	174.4	171.1	0	0	0	0	112.6	N123 N168 Y169 S174 V175 D176	N123-S172 PolarHBondContact ND2-O 2.9Å; N123-S172 PolarHBondContact ND2-OG 2.86Å; N168-S172 PolarHBondContact O-N 2.88Å; Y169-S172 WeakPolarHBondContact O-CB 3.31Å; Y169-S172 PolarHBondContact O-N 3.43Å; S172-S174 VanDerWaalsContact C-N 3.32Å; S172-S174 PolarHBondContact O-N 3Å; S172-V175 PolarHBondContact O-N 2.82Å; S172-D176 PolarHBondContact O-N 2.75Å; S172-D176 VanDerWaalsContact O-N 3.08Å
173	L	97.6	Very high	97.1	Very high	17 Å²	17	45.9 Å²	45.9	9%	0.089	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-35.9	176.7	-83.3	-179.9	0	0	0	113	Y169 W170 Q171 V175 D176 A177 I572 F579	Y169-L173 HydrophobicContact CD1-CD1 3.85Å; Y169-L173 HydrophobicContact CD1-CG 4.3Å; Y169-L173 HydrophobicContact CE1-CD1 3.31Å; Y169-L173 HydrophobicContact CE1-CD2 4.46Å; Y169-L173 HydrophobicContact CE1-CG 3.84Å; Y169-L173 HydrophobicContact CE2-CD1 4.47Å; Y169-L173 HydrophobicContact CE2-CD2 4.39Å; Y169-L173 HydrophobicContact CE2-CG 4.1Å; Y169-L173 PolarHBondContact O-N 3.26Å; W170-L173 HydrophobicContact CE3-CD1 3.9Å; W170-L173 HydrophobicContact CZ3-CD1 3.98Å; W170-L173 PolarHBondContact O-N 3.47Å; Q171-L173 PolarHBondContact O-N 3.26Å; L173-V175 VanDerWaalsContact C-N 3.31Å; L173-V175 PolarHBondContact O-N 3.03Å; L173-D176 PolarHBondContact O-N 3.39Å; L173-A177 WeakPolarHBondContact O-CB 3.21Å; L173-A177 PolarHBondContact O-N 3.06Å; L173-I572 HydrophobicContact CB-CG2 3.98Å; L173-F579 HydrophobicContact CB-CD2 4.31Å; L173-F579 HydrophobicContact CD1-CB 4.33Å; L173-F579 HydrophobicContact CD2-CD2 3.99Å; L173-F579 HydrophobicContact CD2-CE2 4.35Å; L173-F579 HydrophobicContact CD2-CG 4.22Å
174	S	97.2	Very high	97.1	Very high	5 Å²	5	41.1 Å²	41.1	4%	0.035	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-37.8	176.6	74.6	0	0	0	0	112.4	W170 Q171 S172 A177 R178 L569	W170-S174 PolarHBondContact O-N 3.23Å; Q171-S174 PolarHBondContact O-N 3.48Å; Q171-S174 PolarHBondContact O-OG 3.23Å; S172-S174 VanDerWaalsContact C-N 3.32Å; S172-S174 PolarHBondContact O-N 3Å; S174-A177 PolarHBondContact O-N 3.05Å; S174-R178 WeakPolarHBondContact O-CB 3.46Å; S174-R178 PolarHBondContact O-N 3.14Å; S174-L569 VanDerWaalsContact CB-O 3.29Å; S174-L569 WeakPolarHBondContact CB-O 3.38Å
175	V	96.8	Very high	97.2	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-69.2	-43.2	175	174.8	0	0	0	0	111	K119 N123 Q171 S172 L173 A177 R178 Q179	K119-V175 HydrophobicContact CB-CG2 3.77Å; K119-V175 WeakPolarHBondContact O-CG2 3.46Å; N123-V175 HydrophobicContact CB-CB 3.79Å; N123-V175 HydrophobicContact CB-CG1 3.74Å; N123-V175 HydrophobicContact CB-CG2 4.15Å; Q171-V175 PolarHBondContact O-N 3.35Å; S172-V175 PolarHBondContact O-N 2.82Å; L173-V175 VanDerWaalsContact C-N 3.31Å; L173-V175 PolarHBondContact O-N 3.03Å; V175-A177 VanDerWaalsContact C-N 3.29Å; V175-A177 PolarHBondContact O-N 2.98Å; V175-R178 PolarHBondContact O-N 3.29Å; V175-Q179 HydrophobicContact CG1-CG 4.24Å; V175-Q179 WeakPolarHBondContact O-CB 3.48Å; V175-Q179 VanDerWaalsContact O-CG 3.31Å; V175-Q179 WeakPolarHBondContact O-CG 3.27Å; V175-Q179 PolarHBondContact O-N 3.33Å
176	D	97.3	Very high	97.2	Very high	30 Å²	30	36.2 Å²	36.2	16%	0.16	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-42.7	175.6	-81.1	-8.7	0	0	0	111.1	K88 N123 S172 L173 Q179 E180 F579	K88-D176 WeakPolarHBondContact CE-OD1 3.28Å; K88-D176 IonicContact NZ-OD1 3.74Å; K88-D176 PolarHBondContact NZ-OD1 2.97Å; K88-D176 IonicContact NZ-OD2 3.9Å; K88-D176 PolarHBondContact NZ-OD2 2.8Å; N123-D176 PolarHBondContact ND2-OD1 2.93Å; S172-D176 PolarHBondContact O-N 2.75Å; S172-D176 VanDerWaalsContact O-N 3.08Å; L173-D176 PolarHBondContact O-N 3.39Å; D176-Q179 PolarHBondContact O-N 3.39Å; D176-E180 WeakPolarHBondContact O-CB 3.47Å; D176-E180 PolarHBondContact O-N 3.41Å; D176-F579 HydrophobicContact CB-CE2 4.39Å
177	A	97.4	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-48.8	175.4	0	0	0	0	0	111.2	L173 S174 V175 Q179 E180 L181 L569 I572 F579 M583	L173-A177 WeakPolarHBondContact O-CB 3.21Å; L173-A177 PolarHBondContact O-N 3.06Å; S174-A177 PolarHBondContact O-N 3.05Å; V175-A177 VanDerWaalsContact C-N 3.29Å; V175-A177 PolarHBondContact O-N 2.98Å; A177-Q179 PolarHBondContact O-N 3.04Å; A177-E180 PolarHBondContact O-N 2.96Å; A177-L181 WeakPolarHBondContact O-CB 3.27Å; A177-L181 VanDerWaalsContact O-CG 3.25Å; A177-L181 WeakPolarHBondContact O-CG 3.15Å; A177-L181 PolarHBondContact O-N 3.26Å; A177-L569 HydrophobicContact CB-CD2 3.48Å; A177-L569 VanDerWaalsContact CB-CD2 3.48Å; A177-I572 HydrophobicContact CB-CD1 3.99Å; A177-F579 HydrophobicContact CB-CD2 3.85Å; A177-F579 HydrophobicContact CB-CE2 3.67Å; A177-M583 HydrophobicContact CB-CG 4.42Å; A177-M583 HydrophobicContact CB-SD 3.7Å
178	R	97	Very high	97.1	Very high	53 Å²	53	30.9 Å²	30.9	20%	0.2	14%	0.143	C	C	.	.	H	α-helix	trans	-56.6	-50.4	177.1	-170.6	-172.9	58.9	63.8	-0.9	111.6	E120 S174 V175 E180 L181 D182 L569	E120-R178 IonicContact OE1-CZ 3.81Å; E120-R178 IonicContact OE1-NE 3.16Å; E120-R178 IonicContact OE1-NH2 3.95Å; E120-R178 PolarHBondContact OE1-NH2 2.95Å; E120-R178 IonicContact OE2-NH2 3.64Å; E120-R178 PolarHBondContact OE2-NH2 3.16Å; S174-R178 WeakPolarHBondContact O-CB 3.46Å; S174-R178 PolarHBondContact O-N 3.14Å; V175-R178 PolarHBondContact O-N 3.29Å; R178-E180 VanDerWaalsContact C-N 3.33Å; R178-E180 PolarHBondContact O-N 3.24Å; R178-L181 PolarHBondContact O-N 2.74Å; R178-D182 IonicContact NH1-OD2 3.11Å; R178-D182 PolarHBondContact NH1-OD2 3.11Å; R178-D182 WeakPolarHBondContact O-CB 3.39Å; R178-D182 PolarHBondContact O-N 3.02Å; R178-L569 HydrophobicContact CB-CD1 3.81Å; R178-L569 HydrophobicContact CB-CD2 4.43Å; R178-L569 HydrophobicContact CG-CD1 3.94Å
179	Q	96.2	Very high	97.2	Very high	31 Å²	31	28.4 Å²	28.4	15%	0.145	13%	0.13	C	C	.	.	H	α-helix	trans	-60.2	-42.4	179.8	-71.6	-179.2	3.4	0	0	111.7	L64 V175 D176 A177 L183	L64-Q179 HydrophobicContact CD2-CB 4.39Å; V175-Q179 HydrophobicContact CG1-CG 4.24Å; V175-Q179 WeakPolarHBondContact O-CB 3.48Å; V175-Q179 VanDerWaalsContact O-CG 3.31Å; V175-Q179 WeakPolarHBondContact O-CG 3.27Å; V175-Q179 PolarHBondContact O-N 3.33Å; D176-Q179 PolarHBondContact O-N 3.39Å; A177-Q179 PolarHBondContact O-N 3.04Å; Q179-L183 WeakPolarHBondContact O-CB 3.42Å; Q179-L183 PolarHBondContact O-N 3.04Å
180	E	97.6	Very high	97.1	Very high	31 Å²	31	23.4 Å²	23.4	15%	0.145	11%	0.112	C	C	.	.	H	α-helix	trans	-69.2	-44.5	179.4	-173.2	171.1	163.7	0	0	112.5	L64 V86 D176 A177 R178 L183 R184 M583	L64-E180 VanDerWaalsContact CD2-CA 3.43Å; L64-E180 HydrophobicContact CD2-CB 3.6Å; L64-E180 HydrophobicContact CD2-CG 4.09Å; V86-E180 HydrophobicContact CG1-CG 4.4Å; V86-E180 HydrophobicContact CG2-CG 4.32Å; D176-E180 WeakPolarHBondContact O-CB 3.47Å; D176-E180 PolarHBondContact O-N 3.41Å; A177-E180 PolarHBondContact O-N 2.96Å; R178-E180 VanDerWaalsContact C-N 3.33Å; R178-E180 PolarHBondContact O-N 3.24Å; E180-L183 PolarHBondContact O-N 2.98Å; E180-R184 HydrophobicContact CG-CG 4.29Å; E180-R184 VanDerWaalsContact CG-NE 3.3Å; E180-R184 WeakPolarHBondContact O-CB 3.38Å; E180-R184 VanDerWaalsContact O-CG 3.24Å; E180-R184 WeakPolarHBondContact O-CG 3.4Å; E180-R184 PolarHBondContact O-N 3.15Å; E180-R184 IonicContact OE1-CZ 2.82Å; E180-R184 IonicContact OE1-NE 3.18Å; E180-R184 PolarHBondContact OE1-NE 3.47Å; E180-R184 IonicContact OE1-NH2 3.74Å; E180-R184 PolarHBondContact OE1-NH2 3.34Å; E180-M583 HydrophobicContact CB-CE 3.65Å; E180-M583 HydrophobicContact CG-CE 3.49Å; E180-M583 VanDerWaalsContact CG-CE 3.49Å
181	L	97.6	Very high	97	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-59.7	-50.7	175.6	-69.9	175.2	0	0	0	111.1	A177 R178 L183 R184 I185 V565 L569 M583 V586 L587	A177-L181 WeakPolarHBondContact O-CB 3.27Å; A177-L181 VanDerWaalsContact O-CG 3.25Å; A177-L181 WeakPolarHBondContact O-CG 3.15Å; A177-L181 PolarHBondContact O-N 3.26Å; R178-L181 PolarHBondContact O-N 2.74Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 3.39Å; L181-R184 PolarHBondContact O-N 2.85Å; L181-I185 HydrophobicContact CB-CD1 4.26Å; L181-I185 HydrophobicContact CD2-CD1 4.48Å; L181-I185 VanDerWaalsContact O-CB 3.3Å; L181-I185 WeakPolarHBondContact O-CB 2.94Å; L181-I185 WeakPolarHBondContact O-CD1 3.2Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.38Å; L181-I185 PolarHBondContact O-N 2.99Å; L181-V565 HydrophobicContact CD1-CG1 3.8Å; L181-L569 HydrophobicContact CD1-CD2 4.21Å; L181-M583 HydrophobicContact CD1-SD 4.16Å; L181-M583 HydrophobicContact CD2-CE 3.76Å; L181-M583 HydrophobicContact CD2-SD 3.79Å; L181-M583 HydrophobicContact CG-CE 3.92Å; L181-M583 HydrophobicContact CG-SD 3.65Å; L181-V586 HydrophobicContact CD1-CB 4.38Å; L181-V586 HydrophobicContact CD1-CG1 4.03Å; L181-V586 HydrophobicContact CD2-CB 3.93Å; L181-V586 HydrophobicContact CD2-CG1 3.7Å; L181-V586 HydrophobicContact CG-CG1 4.46Å; L181-L587 HydrophobicContact CD2-CD2 3.78Å; L181-L587 HydrophobicContact CD2-CG 3.81Å
182	D	96.7	Very high	96.9	Very high	34 Å²	34	16 Å²	16	18%	0.182	8%	0.082	C	C	.	.	H	α-helix	trans	-62	-41.3	-179.1	-68.9	-15.7	0	0	0	111.2	R178 G186 P213 R562	R178-D182 IonicContact NH1-OD2 3.11Å; R178-D182 PolarHBondContact NH1-OD2 3.11Å; R178-D182 WeakPolarHBondContact O-CB 3.39Å; R178-D182 PolarHBondContact O-N 3.02Å; D182-G186 WeakPolarHBondContact O-CA 3.36Å; D182-G186 PolarHBondContact O-N 3.33Å; D182-P213 VanDerWaalsContact OD1-CG 3.23Å; D182-P213 WeakPolarHBondContact OD1-CG 3.48Å; D182-R562 IonicContact OD1-CZ 3.05Å; D182-R562 IonicContact OD1-NH1 2.66Å; D182-R562 PolarHBondContact OD1-NH1 2.92Å; D182-R562 IonicContact OD1-NH2 3.8Å
183	L	96.6	Very high	96.8	Very high	30 Å²	30	16 Å²	16	16%	0.157	8%	0.081	C	C	.	.	H	α-helix	trans	-63.1	-51.8	176.8	175.3	67.1	0	0	0	111.8	L64 F66 V86 Q179 E180 L181 C187	L64-L183 HydrophobicContact CB-CD2 4.45Å; L64-L183 HydrophobicContact CD2-CD2 4.07Å; L64-L183 HydrophobicContact CG-CD2 4.06Å; F66-L183 HydrophobicContact CD2-CD1 4.35Å; F66-L183 HydrophobicContact CD2-CD2 4.41Å; F66-L183 HydrophobicContact CD2-CG 4.37Å; F66-L183 HydrophobicContact CE2-CD1 4Å; F66-L183 HydrophobicContact CE2-CD2 4.2Å; F66-L183 HydrophobicContact CE2-CG 3.79Å; F66-L183 HydrophobicContact CZ-CD2 4.38Å; F66-L183 HydrophobicContact CZ-CG 4.1Å; V86-L183 HydrophobicContact CG1-CD2 4.1Å; Q179-L183 WeakPolarHBondContact O-CB 3.42Å; Q179-L183 PolarHBondContact O-N 3.04Å; E180-L183 PolarHBondContact O-N 2.98Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 3.39Å; L183-C187 WeakPolarHBondContact O-CB 3.37Å; L183-C187 PolarHBondContact O-N 3.21Å; L183-C187 PolarHBondContact O-SG 2.78Å
184	R	97.7	Very high	96.5	Very high	14 Å²	14	15.7 Å²	15.7	5%	0.053	8%	0.08	C	C	.	.	H	α-helix	trans	-65.4	-54.4	-175	-71.7	176.5	179.1	-71.2	1.5	111.7	F66 L81 F82 A84 E180 L181 A188 L587	F66-R184 HydrophobicContact CE1-CG 4.31Å; F66-R184 HydrophobicContact CZ-CG 4.14Å; L81-R184 PolarHBondContact O-NH1 3.28Å; F82-R184 PolarHBondContact O-NH1 2.76Å; A84-R184 PolarHBondContact O-NH1 3.05Å; A84-R184 PolarHBondContact O-NH2 2.85Å; E180-R184 HydrophobicContact CG-CG 4.29Å; E180-R184 VanDerWaalsContact CG-NE 3.3Å; E180-R184 WeakPolarHBondContact O-CB 3.38Å; E180-R184 VanDerWaalsContact O-CG 3.24Å; E180-R184 WeakPolarHBondContact O-CG 3.4Å; E180-R184 PolarHBondContact O-N 3.15Å; E180-R184 IonicContact OE1-CZ 2.82Å; E180-R184 IonicContact OE1-NE 3.18Å; E180-R184 PolarHBondContact OE1-NE 3.47Å; E180-R184 IonicContact OE1-NH2 3.74Å; E180-R184 PolarHBondContact OE1-NH2 3.34Å; L181-R184 PolarHBondContact O-N 2.85Å; R184-A188 VanDerWaalsContact O-CB 3.32Å; R184-A188 WeakPolarHBondContact O-CB 3.42Å; R184-A188 PolarHBondContact O-N 3.3Å; R184-L587 HydrophobicContact CB-CD2 3.97Å; R184-L587 HydrophobicContact CG-CD2 4.46Å
185	I	97.9	Very high	96.1	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-65.9	-48.8	-177.4	-59.2	164.7	0	0	0	109	F82 L181 C187 A188 F189 F211 P213 L587 F590	F82-I185 HydrophobicContact CE1-CG1 4.29Å; L181-I185 HydrophobicContact CB-CD1 4.26Å; L181-I185 HydrophobicContact CD2-CD1 4.48Å; L181-I185 VanDerWaalsContact O-CB 3.3Å; L181-I185 WeakPolarHBondContact O-CB 2.94Å; L181-I185 WeakPolarHBondContact O-CD1 3.2Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.38Å; L181-I185 PolarHBondContact O-N 2.99Å; I185-C187 PolarHBondContact O-N 2.86Å; I185-A188 PolarHBondContact O-N 2.94Å; I185-F189 HydrophobicContact CG2-CD2 3.95Å; I185-F189 HydrophobicContact CG2-CE2 4.03Å; I185-F189 WeakPolarHBondContact O-CD2 3.35Å; I185-F189 PolarHBondContact O-N 3.31Å; I185-F211 HydrophobicContact CG2-CD1 4.17Å; I185-F211 HydrophobicContact CG2-CE1 3.64Å; I185-P213 HydrophobicContact CG2-CB 4.46Å; I185-L587 HydrophobicContact CG1-CD2 4.37Å; I185-F590 HydrophobicContact CD1-CB 4.03Å; I185-F590 HydrophobicContact CD1-CD1 4.01Å; I185-F590 HydrophobicContact CD1-CD2 3.41Å; I185-F590 VanDerWaalsContact CD1-CD2 3.41Å; I185-F590 HydrophobicContact CD1-CE1 4.26Å; I185-F590 HydrophobicContact CD1-CE2 3.7Å; I185-F590 HydrophobicContact CD1-CG 3.55Å; I185-F590 HydrophobicContact CD1-CZ 4.1Å; I185-F590 HydrophobicContact CG1-CB 3.92Å; I185-F590 HydrophobicContact CG1-CD1 4.24Å; I185-F590 HydrophobicContact CG1-CD2 4.25Å; I185-F590 HydrophobicContact CG1-CG 3.9Å; I185-F590 HydrophobicContact CG2-CB 4.42Å; I185-F590 HydrophobicContact CG2-CD1 3.5Å; I185-F590 HydrophobicContact CG2-CE1 3.84Å; I185-F590 HydrophobicContact CG2-CG 4.04Å
186	G	96.7	Very high	95.9	Very high	9 Å²	9	22.8 Å²	22.8	9%	0.093	11%	0.108	C	C	.	.	H	α-helix	trans	-58.4	-48.3	-179.6	0	0	0	0	0	112.3	D182 T190 F211	D182-G186 WeakPolarHBondContact O-CA 3.36Å; D182-G186 PolarHBondContact O-N 3.33Å; G186-T190 WeakPolarHBondContact O-CB 3.4Å; G186-T190 PolarHBondContact O-N 2.85Å; G186-T190 PolarHBondContact O-OG1 3.18Å; G186-F211 WeakPolarHBondContact CA-O 3.4Å
187	C	96	Very high	95.5	Very high	27 Å²	27	21.5 Å²	21.5	18%	0.182	10%	0.1	C	C	.	.	H	α-helix	trans	-67.6	-42.1	179.1	-72.7	0	0	0	0	112.9	F66 L81 L183 I185 T190 R191	F66-C187 HydrophobicContact CE2-CB 3.91Å; L81-C187 HydrophobicContact CD1-CB 3.96Å; L183-C187 WeakPolarHBondContact O-CB 3.37Å; L183-C187 PolarHBondContact O-N 3.21Å; L183-C187 PolarHBondContact O-SG 2.78Å; I185-C187 PolarHBondContact O-N 2.86Å; C187-T190 PolarHBondContact O-N 2.82Å; C187-R191 VanDerWaalsContact O-CB 3.24Å; C187-R191 WeakPolarHBondContact O-CB 3.34Å; C187-R191 WeakPolarHBondContact O-CG 3.4Å; C187-R191 PolarHBondContact O-N 2.81Å
188	A	97.2	Very high	94.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59	-54.4	-178.8	0	0	0	0	0	111.6	P78 L81 F82 R184 I185 F192 F594	P78-A188 WeakPolarHBondContact CB-O 3.41Å; P78-A188 WeakPolarHBondContact O-CB 3.47Å; L81-A188 HydrophobicContact CB-CB 4.47Å; F82-A188 HydrophobicContact CD2-CB 4.06Å; F82-A188 HydrophobicContact CE2-CB 3.44Å; F82-A188 VanDerWaalsContact CE2-CB 3.44Å; F82-A188 HydrophobicContact CZ-CB 3.93Å; R184-A188 VanDerWaalsContact O-CB 3.32Å; R184-A188 WeakPolarHBondContact O-CB 3.42Å; R184-A188 PolarHBondContact O-N 3.3Å; I185-A188 PolarHBondContact O-N 2.94Å; A188-F192 WeakPolarHBondContact O-CB 3.18Å; A188-F192 PolarHBondContact O-N 3.42Å; A188-F594 HydrophobicContact CB-CD2 4.28Å; A188-F594 HydrophobicContact CB-CE2 4.2Å; A188-F594 WeakPolarHBondContact O-CE2 3.45Å
189	F	97.9	Very high	93.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.4	-42.9	178.8	-80.3	-94.3	0	0	0	112.4	F82 I185 Q193 F211 L556 F590 F594 F597	F82-F189 HydrophobicContact CZ-CE2 4.3Å; I185-F189 HydrophobicContact CG2-CD2 3.95Å; I185-F189 HydrophobicContact CG2-CE2 4.03Å; I185-F189 WeakPolarHBondContact O-CD2 3.35Å; I185-F189 PolarHBondContact O-N 3.31Å; F189-Q193 WeakPolarHBondContact O-CG 3.2Å; F189-Q193 PolarHBondContact O-N 3.23Å; F189-Q193 VanDerWaalsContact O-N 3.14Å; F189-Q193 PolarHBondContact O-NE2 3.38Å; F189-F211 HydrophobicContact CB-CB 3.43Å; F189-F211 VanDerWaalsContact CB-CB 3.43Å; F189-F211 HydrophobicContact CB-CD1 3.61Å; F189-F211 HydrophobicContact CB-CD2 4.47Å; F189-F211 HydrophobicContact CB-CG 3.58Å; F189-F211 HydrophobicContact CD1-CD1 4.45Å; F189-F211 HydrophobicContact CD1-CG 4.34Å; F189-F211 AromaticContact CD2-CD1 3.9Å; F189-F211 HydrophobicContact CD2-CD1 3.9Å; F189-F211 HydrophobicContact CD2-CE1 4.06Å; F189-F211 HydrophobicContact CE2-CE1 4.43Å; F189-F211 HydrophobicContact CG-CB 4.32Å; F189-F211 AromaticContact CG-CD1 3.75Å; F189-F211 HydrophobicContact CG-CD1 3.75Å; F189-F211 HydrophobicContact CG-CE1 4.22Å; F189-F211 AromaticContact CG-CG 3.94Å; F189-F211 HydrophobicContact CG-CG 3.94Å; F189-L556 HydrophobicContact CE1-CD1 4.05Å; F189-L556 HydrophobicContact CE1-CD2 4.33Å; F189-L556 HydrophobicContact CZ-CD2 4.1Å; F189-F590 HydrophobicContact CE2-CD1 4.41Å; F189-F594 HydrophobicContact CD1-CD2 4.03Å; F189-F594 AromaticContact CD2-CD2 3.79Å; F189-F594 HydrophobicContact CD2-CD2 3.79Å; F189-F594 HydrophobicContact CE1-CB 4.44Å; F189-F594 HydrophobicContact CE1-CD2 4.08Å; F189-F594 HydrophobicContact CE2-CB 3.74Å; F189-F594 AromaticContact CE2-CD2 3.85Å; F189-F594 HydrophobicContact CE2-CD2 3.85Å; F189-F594 HydrophobicContact CE2-CG 4.28Å; F189-F594 AromaticContact CG-CD2 3.9Å; F189-F594 HydrophobicContact CG-CD2 3.9Å; F189-F594 HydrophobicContact CG-CE2 4.47Å; F189-F594 HydrophobicContact CZ-CB 3.71Å; F189-F594 HydrophobicContact CZ-CD2 4.01Å; F189-F594 HydrophobicContact CZ-CG 4.38Å; F189-F597 AromaticContact CD1-CD1 3.86Å; F189-F597 HydrophobicContact CD1-CD1 3.86Å; F189-F597 HydrophobicContact CD1-CE1 4.14Å; F189-F597 HydrophobicContact CD1-CG 4.11Å; F189-F597 HydrophobicContact CE1-CB 3.83Å; F189-F597 AromaticContact CE1-CD1 3.93Å; F189-F597 HydrophobicContact CE1-CD1 3.93Å; F189-F597 HydrophobicContact CE1-CD2 4.29Å; F189-F597 AromaticContact CE1-CG 3.76Å; F189-F597 HydrophobicContact CE1-CG 3.76Å
190	T	96.3	Very high	93.2	Very high	15 Å²	15	28.6 Å²	28.6	9%	0.092	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-52.1	-179	-63.2	0	0	0	0	111.2	W73 G186 C187 F192 Q193 T194 L209 S210 F211	W73-T190 HydrophobicContact CH2-CG2 4.2Å; G186-T190 WeakPolarHBondContact O-CB 3.4Å; G186-T190 PolarHBondContact O-N 2.85Å; G186-T190 PolarHBondContact O-OG1 3.18Å; C187-T190 PolarHBondContact O-N 2.82Å; T190-F192 VanDerWaalsContact C-N 3.32Å; T190-F192 PolarHBondContact O-N 3.07Å; T190-Q193 PolarHBondContact O-N 3.1Å; T190-T194 WeakPolarHBondContact O-CB 3.46Å; T190-T194 PolarHBondContact O-N 2.94Å; T190-T194 PolarHBondContact O-OG1 3.43Å; T190-T194 VanDerWaalsContact O-OG1 3.07Å; T190-L209 WeakPolarHBondContact CG2-O 3.25Å; T190-S210 WeakPolarHBondContact OG1-CA 3.25Å; T190-F211 PolarHBondContact OG1-N 2.98Å; T190-F211 PolarHBondContact OG1-O 2.89Å
191	R	94.7	Very high	92.5	Very high	15 Å²	15	27.3 Å²	27.3	6%	0.057	13%	0.128	C	C	.	.	H	α-helix	trans	-64.1	-39.4	-176.1	-66.3	-170.2	-170.6	-173.1	1.4	111.8	Y70 W73 P78 C187 R195	Y70-R191 PolarHBondContact O-NH1 3.04Å; W73-R191 HydrophobicContact CD2-CB 4.31Å; W73-R191 HydrophobicContact CD2-CG 3.57Å; W73-R191 HydrophobicContact CE3-CB 4.03Å; W73-R191 HydrophobicContact CE3-CG 3.61Å; W73-R191 HydrophobicContact CG-CG 4.2Å; W73-R191 HydrophobicContact CH2-CG 3.82Å; W73-R191 HydrophobicContact CZ2-CG 3.79Å; W73-R191 HydrophobicContact CZ3-CB 4.28Å; W73-R191 HydrophobicContact CZ3-CG 3.73Å; P78-R191 HydrophobicContact CB-CB 4.46Å; P78-R191 HydrophobicContact CG-CB 4.25Å; C187-R191 VanDerWaalsContact O-CB 3.24Å; C187-R191 WeakPolarHBondContact O-CB 3.34Å; C187-R191 WeakPolarHBondContact O-CG 3.4Å; C187-R191 PolarHBondContact O-N 2.81Å; R191-R195 VanDerWaalsContact O-CB 3.25Å; R191-R195 WeakPolarHBondContact O-CB 3.35Å; R191-R195 PolarHBondContact O-N 3.24Å
192	F	95.6	Very high	91.4	Very high	18 Å²	18	27.4 Å²	27.4	8%	0.079	13%	0.129	C	C	.	.	H	α-helix	trans	-59.3	-50.4	174.7	174.2	-98.2	0	0	0	111.5	P78 A188 T190 R195 F196 F594 F597 V598 I601	P78-F192 HydrophobicContact CB-CB 4.05Å; P78-F192 HydrophobicContact CG-CB 3.97Å; A188-F192 WeakPolarHBondContact O-CB 3.18Å; A188-F192 PolarHBondContact O-N 3.42Å; T190-F192 VanDerWaalsContact C-N 3.32Å; T190-F192 PolarHBondContact O-N 3.07Å; F192-R195 PolarHBondContact O-N 3.46Å; F192-F196 HydrophobicContact CZ-CD2 4.25Å; F192-F196 VanDerWaalsContact O-CB 3.27Å; F192-F196 WeakPolarHBondContact O-CB 3.45Å; F192-F196 PolarHBondContact O-N 2.81Å; F192-F594 HydrophobicContact CB-CE2 3.88Å; F192-F594 HydrophobicContact CB-CZ 3.92Å; F192-F594 HydrophobicContact CD2-CZ 4.46Å; F192-F594 HydrophobicContact CG-CE2 4.28Å; F192-F594 HydrophobicContact CG-CZ 4.19Å; F192-F597 HydrophobicContact CD1-CD1 4.15Å; F192-F597 AromaticContact CD1-CE1 3.75Å; F192-F597 HydrophobicContact CD1-CE1 3.75Å; F192-F597 HydrophobicContact CE1-CD1 4.17Å; F192-F597 AromaticContact CE1-CE1 3.88Å; F192-F597 HydrophobicContact CE1-CE1 3.88Å; F192-V598 HydrophobicContact CD1-CG2 4.14Å; F192-V598 HydrophobicContact CD2-CG2 3.86Å; F192-V598 HydrophobicContact CE1-CB 4.48Å; F192-V598 HydrophobicContact CE1-CG2 3.95Å; F192-V598 HydrophobicContact CE2-CB 4.19Å; F192-V598 HydrophobicContact CE2-CG1 3.71Å; F192-V598 HydrophobicContact CE2-CG2 3.69Å; F192-V598 HydrophobicContact CG-CG2 4.08Å; F192-V598 HydrophobicContact CZ-CB 4.01Å; F192-V598 HydrophobicContact CZ-CG1 3.79Å; F192-V598 HydrophobicContact CZ-CG2 3.74Å; F192-I601 HydrophobicContact CE1-CB 4.05Å; F192-I601 HydrophobicContact CE1-CD1 3.85Å; F192-I601 HydrophobicContact CE1-CG1 3.72Å; F192-I601 HydrophobicContact CZ-CB 4.16Å; F192-I601 HydrophobicContact CZ-CG1 4.12Å; F192-I601 HydrophobicContact CZ-CG2 4.23Å
193	Q	94.8	Very high	90.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.3	-47	-179.1	-72.7	173.2	84.9	0	0	112.5	F189 T190 R195 F196 F197 Y549 F597	F189-Q193 WeakPolarHBondContact O-CG 3.2Å; F189-Q193 PolarHBondContact O-N 3.23Å; F189-Q193 VanDerWaalsContact O-N 3.14Å; F189-Q193 PolarHBondContact O-NE2 3.38Å; T190-Q193 PolarHBondContact O-N 3.1Å; Q193-R195 PolarHBondContact O-N 3.08Å; Q193-F196 PolarHBondContact O-N 3.39Å; Q193-F197 HydrophobicContact CB-CD2 4.29Å; Q193-F197 WeakPolarHBondContact O-CB 3.34Å; Q193-F197 VanDerWaalsContact O-CD2 3.31Å; Q193-F197 WeakPolarHBondContact O-CD2 3.23Å; Q193-F197 PolarHBondContact O-N 3.42Å; Q193-Y549 VanDerWaalsContact CD-OH 3.27Å; Q193-Y549 PolarHBondContact NE2-OH 3.24Å; Q193-Y549 PolarHBondContact OE1-OH 3.33Å; Q193-F597 HydrophobicContact CG-CE1 3.79Å; Q193-F597 HydrophobicContact CG-CZ 3.8Å
194	T	91.3	Very high	89.9	Confident	11 Å²	11	27.9 Å²	27.9	7%	0.067	13%	0.132	C	C	.	.	H	α-helix	trans	-55.4	-43.7	176.5	-59	0	0	0	0	110.2	W73 T190 H198 S206	W73-T194 HydrophobicContact CE3-CG2 4.41Å; W73-T194 HydrophobicContact CZ3-CG2 4.04Å; T190-T194 WeakPolarHBondContact O-CB 3.46Å; T190-T194 PolarHBondContact O-N 2.94Å; T190-T194 PolarHBondContact O-OG1 3.43Å; T190-T194 VanDerWaalsContact O-OG1 3.07Å; T194-H198 WeakPolarHBondContact O-CA 3.43Å; T194-H198 VanDerWaalsContact O-CB 3.22Å; T194-H198 WeakPolarHBondContact O-CB 3.42Å; T194-H198 PolarHBondContact O-N 2.72Å; T194-S206 PolarHBondContact OG1-O 3.13Å
195	R	90	Very high	89.1	Confident	102 Å²	102	29.2 Å²	29.2	39%	0.385	14%	0.14	S	C	.	.	H	α-helix	trans	-68	-44.7	176.9	-170.7	177	73.9	-174.1	3.4	112.7	I76 R191 F192 Q193 F197 H198	I76-R195 PolarHBondContact O-NH1 3.15Å; R191-R195 VanDerWaalsContact O-CB 3.25Å; R191-R195 WeakPolarHBondContact O-CB 3.35Å; R191-R195 PolarHBondContact O-N 3.24Å; F192-R195 PolarHBondContact O-N 3.46Å; Q193-R195 PolarHBondContact O-N 3.08Å; R195-F197 PolarHBondContact O-N 3.16Å; R195-H198 WeakPolarHBondContact O-CB 3.35Å; R195-H198 PolarHBondContact O-N 3.27Å
196	F	90.8	Very high	88.3	Confident	56 Å²	56	29.5 Å²	29.5	25%	0.246	14%	0.142	C	C	.	.	H	α-helix	trans	-64.5	-40.5	-177.9	-177.9	-90.5	0	0	0	112.3	F192 Q193 I601 D605	F192-F196 HydrophobicContact CZ-CD2 4.25Å; F192-F196 VanDerWaalsContact O-CB 3.27Å; F192-F196 WeakPolarHBondContact O-CB 3.45Å; F192-F196 PolarHBondContact O-N 2.81Å; Q193-F196 PolarHBondContact O-N 3.39Å; F196-I601 HydrophobicContact CD1-CG1 3.75Å; F196-I601 HydrophobicContact CD2-CG1 4.15Å; F196-I601 HydrophobicContact CD2-CG2 4.15Å; F196-I601 HydrophobicContact CE1-CG1 3.67Å; F196-I601 HydrophobicContact CE1-CG2 4.38Å; F196-I601 HydrophobicContact CE2-CB 4.48Å; F196-I601 HydrophobicContact CE2-CG1 4.08Å; F196-I601 HydrophobicContact CE2-CG2 3.53Å; F196-I601 HydrophobicContact CG-CG1 4Å; F196-I601 HydrophobicContact CZ-CB 4.4Å; F196-I601 HydrophobicContact CZ-CG1 3.83Å; F196-I601 HydrophobicContact CZ-CG2 3.67Å; F196-D605 HydrophobicContact CE1-CB 4Å; F196-D605 HydrophobicContact CZ-CB 4.36Å
197	F	89.6	Confident	87.4	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.009	16%	0.16	C	C	.	.	S	Bend	trans	-92.4	-1.4	179.1	-67.3	-66.6	0	0	0	113.4	Q193 R195 E199 K200 Y201 L204 L209 I601 M604 D605 F608	Q193-F197 HydrophobicContact CB-CD2 4.29Å; Q193-F197 WeakPolarHBondContact O-CB 3.34Å; Q193-F197 VanDerWaalsContact O-CD2 3.31Å; Q193-F197 WeakPolarHBondContact O-CD2 3.23Å; Q193-F197 PolarHBondContact O-N 3.42Å; R195-F197 PolarHBondContact O-N 3.16Å; F197-E199 PolarHBondContact O-N 2.83Å; F197-K200 HydrophobicContact CD1-CD 4.45Å; F197-K200 PolarHBondContact O-N 3.36Å; F197-Y201 HydrophobicContact CD1-CD2 4.21Å; F197-Y201 AromaticContact CD1-CE2 3.71Å; F197-Y201 HydrophobicContact CD1-CE2 3.71Å; F197-Y201 AromaticContact CE1-CE2 3.95Å; F197-Y201 HydrophobicContact CE1-CE2 3.95Å; F197-L204 HydrophobicContact CB-CD2 4.04Å; F197-L204 HydrophobicContact CG-CD2 4.44Å; F197-L209 HydrophobicContact CB-CD1 3.63Å; F197-L209 HydrophobicContact CD2-CD1 3.56Å; F197-L209 HydrophobicContact CG-CD1 3.89Å; F197-I601 HydrophobicContact CE2-CD1 4.26Å; F197-I601 HydrophobicContact CZ-CD1 4.41Å; F197-M604 HydrophobicContact CE2-CG 4.48Å; F197-M604 HydrophobicContact CE2-SD 4.01Å; F197-M604 HydrophobicContact CZ-CG 4.05Å; F197-M604 HydrophobicContact CZ-SD 4.18Å; F197-D605 HydrophobicContact CE1-CB 4.37Å; F197-D605 WeakPolarHBondContact CE1-OD1 3.49Å; F197-F608 HydrophobicContact CE1-CB 4.2Å; F197-F608 HydrophobicContact CE1-CD1 4.42Å; F197-F608 HydrophobicContact CE1-CD2 4.47Å; F197-F608 HydrophobicContact CE1-CG 4.12Å; F197-F608 HydrophobicContact CZ-CD2 4.3Å; F197-F608 HydrophobicContact CZ-CG 4.38Å
198	H	84	Confident	86.7	Confident	103 Å²	103	34.9 Å²	34.9	48%	0.477	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	121.1	177.9	-174.9	-92.5	0	0	0	109.6	T194 R195 K200	T194-H198 WeakPolarHBondContact O-CA 3.43Å; T194-H198 VanDerWaalsContact O-CB 3.22Å; T194-H198 WeakPolarHBondContact O-CB 3.42Å; T194-H198 PolarHBondContact O-N 2.72Å; R195-H198 WeakPolarHBondContact O-CB 3.35Å; R195-H198 PolarHBondContact O-N 3.27Å; H198-K200 PolarHBondContact O-N 3.42Å
199	E	74	Confident	86.5	Confident	61 Å²	61	34.9 Å²	34.9	29%	0.285	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	44.7	-178.9	-67	-178.7	-175.5	0	0	112.5	F197 L615	F197-E199 PolarHBondContact O-N 2.83Å; E199-L615 VanDerWaalsContact C-CD1 3.44Å; E199-L615 HydrophobicContact CB-CD1 4.17Å; E199-L615 WeakPolarHBondContact O-CD1 3.29Å
200	K	83.8	Confident	86.4	Confident	69 Å²	69	35 Å²	35	30%	0.3	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-46.1	169.3	-165.3	168	-173.6	176.6	0	111.4	F197 H198 D605 L615	F197-K200 HydrophobicContact CD1-CD 4.45Å; F197-K200 PolarHBondContact O-N 3.36Å; H198-K200 PolarHBondContact O-N 3.42Å; K200-D605 VanDerWaalsContact CE-OD1 3.23Å; K200-D605 WeakPolarHBondContact CE-OD1 3.32Å; K200-D605 WeakPolarHBondContact CE-OD2 3.44Å; K200-D605 IonicContact NZ-OD1 3.52Å; K200-D605 PolarHBondContact NZ-OD1 3.02Å; K200-D605 IonicContact NZ-OD2 2.63Å; K200-D605 PolarHBondContact NZ-OD2 2.95Å; K200-L615 PolarHBondContact O-N 2.85Å
201	Y	83.5	Confident	86.4	Confident	5 Å²	5	34.7 Å²	34.7	2%	0.02	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-109.5	142.2	178.1	-55.1	-69.1	0	0	0	110.9	F197 L204 D605 F608 E609 T613 R641	F197-Y201 HydrophobicContact CD1-CD2 4.21Å; F197-Y201 AromaticContact CD1-CE2 3.71Å; F197-Y201 HydrophobicContact CD1-CE2 3.71Å; F197-Y201 AromaticContact CE1-CE2 3.95Å; F197-Y201 HydrophobicContact CE1-CE2 3.95Å; Y201-L204 HydrophobicContact CD2-CD2 3.87Å; Y201-D605 PolarHBondContact OH-O 2.9Å; Y201-D605 PolarHBondContact OH-OD1 3.3Å; Y201-F608 HydrophobicContact CD2-CB 4.28Å; Y201-F608 HydrophobicContact CE2-CB 3.59Å; Y201-F608 HydrophobicContact CE2-CG 4.48Å; Y201-E609 HydrophobicContact CE1-CB 4.07Å; Y201-E609 HydrophobicContact CE1-CG 4.4Å; Y201-E609 PolarHBondContact OH-N 3.18Å; Y201-T613 CarbonylContact C-O 3.48Å; Y201-T613 WeakPolarHBondContact CA-O 3.22Å; Y201-R641 PolarHBondContact O-NH2 3.35Å
202	G	73.6	Confident	86.5	Confident	2 Å²	2	34.4 Å²	34.4	2%	0.021	17%	0.167	C	C	.	.	S	Bend	trans	-76.2	-32.6	-175.6	0	0	0	0	0	113.3	T613 I635 A637 R641	G202-T613 PolarHBondContact N-O 2.93Å; G202-I635 WeakPolarHBondContact O-CG2 3.4Å; G202-A637 VanDerWaalsContact O-CB 3.29Å; G202-A637 WeakPolarHBondContact O-CB 3.45Å; G202-R641 PolarHBondContact O-NH2 2.79Å
203	D	80.8	Confident	86.5	Confident	66 Å²	66	34 Å²	34	35%	0.353	17%	0.166	S	C	.	.	S	Bend	trans	-104.8	6.7	-176.7	58.6	-36.2	0	0	0	114.1	Y612 T613	D203-Y612 HydrophobicContact CB-CD1 4.5Å; D203-T613 VanDerWaalsContact CG-OG1 3.24Å; D203-T613 PolarHBondContact OD1-N 3.18Å; D203-T613 PolarHBondContact OD1-OG1 3.48Å
204	L	82.4	Confident	86.6	Confident	8 Å²	8	34.1 Å²	34.1	4%	0.042	17%	0.167	C	C	.	.			trans	-96.5	127.9	170.2	-178	66.6	0	0	0	111	F197 Y201 L209 L541 F608 Y612	F197-L204 HydrophobicContact CB-CD2 4.04Å; F197-L204 HydrophobicContact CG-CD2 4.44Å; Y201-L204 HydrophobicContact CD2-CD2 3.87Å; L204-L209 HydrophobicContact CD2-CD1 4.41Å; L204-L541 HydrophobicContact CD1-CD1 3.93Å; L204-F608 HydrophobicContact CD1-CD1 4.41Å; L204-F608 HydrophobicContact CD1-CE1 4.05Å; L204-F608 HydrophobicContact CD2-CD1 3.84Å; L204-F608 HydrophobicContact CD2-CE1 3.97Å; L204-Y612 HydrophobicContact CB-CD1 4.05Å; L204-Y612 HydrophobicContact CB-CE1 4.2Å; L204-Y612 HydrophobicContact CB-CG 4.31Å; L204-Y612 HydrophobicContact CD1-CE1 4.05Å; L204-Y612 HydrophobicContact CD1-CE2 3.95Å
205	D	80.6	Confident	86.9	Confident	42 Å²	42	34.4 Å²	34.4	23%	0.225	17%	0.168	C	C	.	.			trans	-90.8	97	162.3	-173.3	2.2	0	0	0	109.6	N207 L208	D205-N207 PolarHBondContact O-N 3.34Å; D205-N207 VanDerWaalsContact O-N 3.11Å; D205-N207 WeakPolarHBondContact OD1-CB 3.35Å; D205-N207 PolarHBondContact OD1-N 3.4Å; D205-N207 VanDerWaalsContact OD1-N 3.17Å; D205-N207 PolarHBondContact OD1-ND2 3.24Å; D205-L208 HydrophobicContact CB-CD1 3.99Å; D205-L208 HydrophobicContact CB-CG 4.05Å; D205-L208 WeakPolarHBondContact O-CB 3.35Å; D205-L208 PolarHBondContact O-N 3.1Å
206	S	79.9	Confident	87.3	Confident	8 Å²	8	29.7 Å²	29.7	6%	0.056	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-60.9	-17.6	-179.8	53.8	0	0	0	0	113.8	T194 L208 L209	T194-S206 PolarHBondContact OG1-O 3.13Å; S206-L208 PolarHBondContact O-N 3.49Å; S206-L209 WeakPolarHBondContact O-CB 3.38Å; S206-L209 WeakPolarHBondContact O-CG 3.49Å; S206-L209 PolarHBondContact O-N 3.26Å; S206-L209 VanDerWaalsContact O-N 3.16Å
207	N	78.4	Confident	87.7	Confident	88 Å²	88	27.2 Å²	27.2	47%	0.471	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-70.2	-17.2	174.8	-58.5	-67.4	0	0	0	112.8	D205 L209	D205-N207 PolarHBondContact O-N 3.34Å; D205-N207 VanDerWaalsContact O-N 3.11Å; D205-N207 WeakPolarHBondContact OD1-CB 3.35Å; D205-N207 PolarHBondContact OD1-N 3.4Å; D205-N207 VanDerWaalsContact OD1-N 3.17Å; D205-N207 PolarHBondContact OD1-ND2 3.24Å; N207-L209 VanDerWaalsContact C-N 3.32Å
208	L	82.5	Confident	88.1	Confident	61 Å²	61	27.1 Å²	27.1	32%	0.319	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-80.9	-15.8	174.4	-59.4	178.9	0	0	0	112.1	D205 S206 S210 Y526 L541	D205-L208 HydrophobicContact CB-CD1 3.99Å; D205-L208 HydrophobicContact CB-CG 4.05Å; D205-L208 WeakPolarHBondContact O-CB 3.35Å; D205-L208 PolarHBondContact O-N 3.1Å; S206-L208 PolarHBondContact O-N 3.49Å; L208-S210 PolarHBondContact O-N 2.88Å; L208-Y526 WeakPolarHBondContact O-CE1 3.42Å; L208-Y526 PolarHBondContact O-OH 3.22Å; L208-L541 HydrophobicContact CB-CD2 3.89Å
209	L	91.7	Very high	88.8	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.			trans	-70.2	128.9	177.8	-56.2	175.6	0	0	0	110	T190 F197 L204 S206 N207 L541 L545 F608	T190-L209 WeakPolarHBondContact CG2-O 3.25Å; F197-L209 HydrophobicContact CB-CD1 3.63Å; F197-L209 HydrophobicContact CD2-CD1 3.56Å; F197-L209 HydrophobicContact CG-CD1 3.89Å; L204-L209 HydrophobicContact CD2-CD1 4.41Å; S206-L209 WeakPolarHBondContact O-CB 3.38Å; S206-L209 WeakPolarHBondContact O-CG 3.49Å; S206-L209 PolarHBondContact O-N 3.26Å; S206-L209 VanDerWaalsContact O-N 3.16Å; N207-L209 VanDerWaalsContact C-N 3.32Å; L209-L541 HydrophobicContact CD2-CD1 3.69Å; L209-L545 HydrophobicContact CD2-CD1 4.36Å; L209-L545 HydrophobicContact CD2-CD2 3.96Å; L209-L545 HydrophobicContact CD2-CG 4.41Å; L209-F608 HydrophobicContact CD2-CE1 4.15Å; L209-F608 HydrophobicContact CD2-CZ 4.24Å
210	S	95.4	Very high	89.9	Confident	4 Å²	4	19.9 Å²	19.9	3%	0.028	11%	0.108	C	C	.	.			trans	-155.7	148	177	66.4	0	0	0	0	109.6	T190 L208 Q215 Y526	T190-S210 WeakPolarHBondContact OG1-CA 3.25Å; L208-S210 PolarHBondContact O-N 2.88Å; S210-Q215 PolarHBondContact OG-NE2 2.86Å; S210-Y526 WeakPolarHBondContact CA-OH 3.43Å; S210-Y526 WeakPolarHBondContact CB-OH 3.22Å; S210-Y526 PolarHBondContact N-OH 2.8Å; S210-Y526 PolarHBondContact O-OH 2.96Å; S210-Y526 PolarHBondContact OG-OH 2.97Å
211	F	97.7	Very high	90.7	Very high	7 Å²	7	17.7 Å²	17.7	3%	0.031	10%	0.099	C	C	.	.			trans	-118	139.4	170.8	179.5	-94.2	0	0	0	108.2	I185 G186 F189 T190 T216 Y549 L556	I185-F211 HydrophobicContact CG2-CD1 4.17Å; I185-F211 HydrophobicContact CG2-CE1 3.64Å; G186-F211 WeakPolarHBondContact CA-O 3.4Å; F189-F211 HydrophobicContact CB-CB 3.43Å; F189-F211 VanDerWaalsContact CB-CB 3.43Å; F189-F211 HydrophobicContact CB-CD1 3.61Å; F189-F211 HydrophobicContact CB-CD2 4.47Å; F189-F211 HydrophobicContact CB-CG 3.58Å; F189-F211 HydrophobicContact CD1-CD1 4.45Å; F189-F211 HydrophobicContact CD1-CG 4.34Å; F189-F211 AromaticContact CD2-CD1 3.9Å; F189-F211 HydrophobicContact CD2-CD1 3.9Å; F189-F211 HydrophobicContact CD2-CE1 4.06Å; F189-F211 HydrophobicContact CE2-CE1 4.43Å; F189-F211 HydrophobicContact CG-CB 4.32Å; F189-F211 AromaticContact CG-CD1 3.75Å; F189-F211 HydrophobicContact CG-CD1 3.75Å; F189-F211 HydrophobicContact CG-CE1 4.22Å; F189-F211 AromaticContact CG-CG 3.94Å; F189-F211 HydrophobicContact CG-CG 3.94Å; T190-F211 PolarHBondContact OG1-N 2.98Å; T190-F211 PolarHBondContact OG1-O 2.89Å; F211-T216 HydrophobicContact CD2-CG2 4.18Å; F211-T216 WeakPolarHBondContact CD2-OG1 3.25Å; F211-T216 HydrophobicContact CE2-CG2 3.93Å; F211-T216 WeakPolarHBondContact CE2-OG1 3.23Å; F211-Y549 WeakPolarHBondContact CB-OH 3.23Å; F211-Y549 HydrophobicContact CD2-CD1 4.41Å; F211-Y549 AromaticContact CD2-CE1 3.77Å; F211-Y549 HydrophobicContact CD2-CE1 3.77Å; F211-Y549 HydrophobicContact CD2-CE2 4.1Å; F211-Y549 AromaticContact CD2-CZ 3.6Å; F211-Y549 HydrophobicContact CE2-CE1 4.38Å; F211-L556 HydrophobicContact CE2-CB 4.28Å; F211-L556 HydrophobicContact CE2-CD2 4.38Å; F211-L556 HydrophobicContact CZ-CD2 4.06Å
212	G	96.1	Very high	91.4	Very high	10 Å²	10	17.4 Å²	17.4	10%	0.103	10%	0.098	C	C	.	.			trans	-139.3	136.7	167.4	0	0	0	0	0	109.5	C214 Q215 T216	G212-C214 PolarHBondContact O-N 3.22Å; G212-C214 VanDerWaalsContact O-N 3.09Å; G212-Q215 PolarHBondContact O-N 3.42Å; G212-T216 PolarHBondContact N-OG1 3.07Å; G212-T216 WeakPolarHBondContact O-CB 3.45Å; G212-T216 PolarHBondContact O-N 2.9Å; G212-T216 PolarHBondContact O-OG1 2.7Å; G212-T216 VanDerWaalsContact O-OG1 3.09Å
213	P	96	Very high	92.5	Very high	9 Å²	9	17.5 Å²	17.5	6%	0.058	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.1	-174.3	25.2	-35.3	0	0	0	113.6	D182 I185 P217 F590	D182-P213 VanDerWaalsContact OD1-CG 3.23Å; D182-P213 WeakPolarHBondContact OD1-CG 3.48Å; I185-P213 HydrophobicContact CG2-CB 4.46Å; P213-P217 VanDerWaalsContact O-CD 3.27Å; P213-P217 WeakPolarHBondContact O-CD 3.42Å; P213-P217 WeakPolarHBondContact O-CG 3.26Å; P213-F590 HydrophobicContact CB-CE1 4.42Å; P213-F590 HydrophobicContact CB-CZ 4.15Å
214	C	97.1	Very high	93.4	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.014	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-36.8	171.1	-163.9	0	0	0	0	112.6	G212 T216 P217 T218 H517 R562	G212-C214 PolarHBondContact O-N 3.22Å; G212-C214 VanDerWaalsContact O-N 3.09Å; C214-T216 VanDerWaalsContact C-N 3.34Å; C214-T216 PolarHBondContact O-N 3.3Å; C214-P217 WeakPolarHBondContact O-CD 3.21Å; C214-T218 PolarHBondContact O-N 3.29Å; C214-T218 PolarHBondContact O-OG1 3.2Å; C214-H517 PolarHBondContact SG-CD2 3.25Å; C214-H517 PolarHBondContact SG-NE2 3.45Å; C214-R562 HydrophobicContact CB-CG 4.09Å
215	Q	96.9	Very high	94.1	Very high	17 Å²	17	18.4 Å²	18.4	8%	0.079	11%	0.105	C	C	.	.	H	α-helix	trans	-59.3	-41.3	178.6	-177.5	-174.2	-48.1	0	0	112.7	S210 G212 T218 L219 N520 I521	S210-Q215 PolarHBondContact OG-NE2 2.86Å; G212-Q215 PolarHBondContact O-N 3.42Å; Q215-T218 PolarHBondContact O-N 2.96Å; Q215-L219 PolarHBondContact O-N 3.18Å; Q215-N520 HydrophobicContact CG-CB 4.27Å; Q215-I521 HydrophobicContact CG-CG2 3.41Å; Q215-I521 VanDerWaalsContact CG-CG2 3.41Å; Q215-I521 WeakPolarHBondContact O-CG2 3.5Å
216	T	98.2	Very high	94.9	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.025	11%	0.105	C	C	.	.	H	α-helix	trans	-69	-46.2	-178	-54.3	0	0	0	0	111.3	F211 G212 C214 T218 L219 G220 Y549 L556 V557	F211-T216 HydrophobicContact CD2-CG2 4.18Å; F211-T216 WeakPolarHBondContact CD2-OG1 3.25Å; F211-T216 HydrophobicContact CE2-CG2 3.93Å; F211-T216 WeakPolarHBondContact CE2-OG1 3.23Å; G212-T216 PolarHBondContact N-OG1 3.07Å; G212-T216 WeakPolarHBondContact O-CB 3.45Å; G212-T216 PolarHBondContact O-N 2.9Å; G212-T216 PolarHBondContact O-OG1 2.7Å; G212-T216 VanDerWaalsContact O-OG1 3.09Å; C214-T216 VanDerWaalsContact C-N 3.34Å; C214-T216 PolarHBondContact O-N 3.3Å; T216-T218 VanDerWaalsContact C-N 3.34Å; T216-T218 PolarHBondContact O-N 3.4Å; T216-L219 WeakPolarHBondContact O-CB 3.46Å; T216-L219 PolarHBondContact O-N 3.37Å; T216-G220 PolarHBondContact O-N 3.43Å; T216-Y549 HydrophobicContact CG2-CD2 3.61Å; T216-Y549 HydrophobicContact CG2-CE2 3.85Å; T216-Y549 HydrophobicContact CG2-CG 4.36Å; T216-L556 WeakPolarHBondContact CG2-O 3.42Å; T216-V557 HydrophobicContact CG2-CG2 4.3Å
217	P	98.5	Very high	95.6	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.019	12%	0.116	C	C	.	.	H	α-helix	trans	-60.8	-36.9	170.7	-27.8	35.3	0	0	0	115.1	P213 C214 L219 G220 F221 I508 V557 P559 R562	P213-P217 VanDerWaalsContact O-CD 3.27Å; P213-P217 WeakPolarHBondContact O-CD 3.42Å; P213-P217 WeakPolarHBondContact O-CG 3.26Å; C214-P217 WeakPolarHBondContact O-CD 3.21Å; P217-L219 VanDerWaalsContact C-N 3.33Å; P217-L219 PolarHBondContact O-N 2.99Å; P217-G220 WeakPolarHBondContact O-CA 3.33Å; P217-G220 PolarHBondContact O-N 3.36Å; P217-F221 PolarHBondContact O-N 2.78Å; P217-I508 HydrophobicContact CB-CD1 3.94Å; P217-V557 WeakPolarHBondContact CA-O 3Å; P217-V557 WeakPolarHBondContact CB-O 3.46Å; P217-P559 HydrophobicContact CB-CB 4.44Å; P217-R562 HydrophobicContact CG-CB 4.5Å
218	T	98.6	Very high	96.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.2	-43.7	172.9	-55.6	0	0	0	0	111.8	C214 Q215 T216 G220 L499 M503 I518 I521	C214-T218 PolarHBondContact O-N 3.29Å; C214-T218 PolarHBondContact O-OG1 3.2Å; Q215-T218 PolarHBondContact O-N 2.96Å; T216-T218 VanDerWaalsContact C-N 3.34Å; T216-T218 PolarHBondContact O-N 3.4Å; T218-G220 VanDerWaalsContact C-N 3.3Å; T218-L499 HydrophobicContact CG2-CD1 4.2Å; T218-L499 HydrophobicContact CG2-CD2 3.8Å; T218-L499 HydrophobicContact CG2-CG 4.28Å; T218-M503 HydrophobicContact CG2-CE 4.34Å; T218-M503 HydrophobicContact CG2-SD 3.62Å; T218-M503 WeakPolarHBondContact OG1-CE 3.47Å; T218-I518 HydrophobicContact CG2-CG1 4.1Å; T218-I521 HydrophobicContact CG2-CD1 3.9Å
219	L	98.7	Very high	96.9	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.016	11%	0.107	C	C	.	.	H	α-helix	trans	-64.1	-36.7	172.2	175.7	63.2	0	0	0	111.7	Q215 T216 P217 F221 C222 V223 I521 Y526 V527 L545 A546	Q215-L219 PolarHBondContact O-N 3.18Å; T216-L219 WeakPolarHBondContact O-CB 3.46Å; T216-L219 PolarHBondContact O-N 3.37Å; P217-L219 VanDerWaalsContact C-N 3.33Å; P217-L219 PolarHBondContact O-N 2.99Å; L219-F221 VanDerWaalsContact C-N 3.31Å; L219-F221 PolarHBondContact O-N 3.37Å; L219-C222 WeakPolarHBondContact O-CB 3.48Å; L219-C222 PolarHBondContact O-N 3.09Å; L219-C222 VanDerWaalsContact O-N 3.08Å; L219-V223 HydrophobicContact CD1-CG2 3.99Å; L219-V223 HydrophobicContact CG-CG2 4.14Å; L219-V223 PolarHBondContact O-N 3.03Å; L219-I521 HydrophobicContact CB-CG2 4.11Å; L219-Y526 HydrophobicContact CD2-CD2 3.81Å; L219-Y526 HydrophobicContact CD2-CG 4.12Å; L219-V527 HydrophobicContact CD1-CG1 3.87Å; L219-L545 HydrophobicContact CD2-CB 4.5Å; L219-A546 HydrophobicContact CG-CB 4.5Å
220	G	98.4	Very high	96.7	Very high	9 Å²	9	25.4 Å²	25.4	9%	0.093	13%	0.132	C	C	.	.	H	α-helix	trans	-52	-46	177.6	0	0	0	0	0	112.9	T216 P217 T218 C222 V223 A224 V557	T216-G220 PolarHBondContact O-N 3.43Å; P217-G220 WeakPolarHBondContact O-CA 3.33Å; P217-G220 PolarHBondContact O-N 3.36Å; T218-G220 VanDerWaalsContact C-N 3.3Å; G220-C222 PolarHBondContact O-N 3.09Å; G220-V223 PolarHBondContact O-N 2.88Å; G220-A224 WeakPolarHBondContact O-CB 3.34Å; G220-A224 PolarHBondContact O-N 3.43Å; G220-V557 VanDerWaalsContact CA-CG1 3.45Å
221	F	98.7	Very high	96.4	Very high	23 Å²	23	29.4 Å²	29.4	10%	0.101	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-43.9	175.5	-68.8	-52.7	0	0	0	113.1	P217 L219 V223 A224 R225 L494 L499 L502 M503 H506 I508 P559	P217-F221 PolarHBondContact O-N 2.78Å; L219-F221 VanDerWaalsContact C-N 3.31Å; L219-F221 PolarHBondContact O-N 3.37Å; F221-V223 VanDerWaalsContact C-N 3.34Å; F221-V223 PolarHBondContact O-N 3.24Å; F221-A224 PolarHBondContact O-N 3.19Å; F221-R225 PolarHBondContact O-N 3.44Å; F221-R225 VanDerWaalsContact O-N 3.15Å; F221-L494 HydrophobicContact CB-CD1 3.98Å; F221-L494 WeakPolarHBondContact O-CD1 3.48Å; F221-L499 HydrophobicContact CB-CD1 3.67Å; F221-L499 HydrophobicContact CD2-CD1 3.81Å; F221-L499 HydrophobicContact CG-CD1 4.17Å; F221-L502 HydrophobicContact CB-CD1 4.14Å; F221-L502 HydrophobicContact CD1-CB 4.28Å; F221-L502 HydrophobicContact CD1-CD1 4.16Å; F221-L502 HydrophobicContact CD2-CB 4.18Å; F221-L502 HydrophobicContact CE1-CB 4.32Å; F221-L502 HydrophobicContact CE2-CB 4.19Å; F221-L502 HydrophobicContact CG-CB 4.22Å; F221-L502 HydrophobicContact CG-CD1 4.18Å; F221-L502 HydrophobicContact CZ-CB 4.27Å; F221-M503 HydrophobicContact CD2-CG 4.38Å; F221-M503 HydrophobicContact CE2-CG 4.21Å; F221-H506 AromaticContact CE1-CE1 3.82Å; F221-H506 AromaticContact CE1-ND1 3.78Å; F221-H506 HydrophobicContact CZ-CB 3.99Å; F221-H506 AromaticContact CZ-CG 3.67Å; F221-H506 AromaticContact CZ-ND1 3.51Å; F221-I508 HydrophobicContact CE2-CD1 3.88Å; F221-I508 HydrophobicContact CE2-CG1 4.48Å; F221-P559 HydrophobicContact CE1-CG 4.11Å; F221-P559 HydrophobicContact CE2-CB 4.47Å; F221-P559 HydrophobicContact CZ-CB 3.92Å; F221-P559 HydrophobicContact CZ-CG 3.73Å
222	C	98.7	Very high	96.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.6	-40.2	178.1	-60.1	0	0	0	0	111.8	L219 G220 Y226 V527 P538	L219-C222 WeakPolarHBondContact O-CB 3.48Å; L219-C222 PolarHBondContact O-N 3.09Å; L219-C222 VanDerWaalsContact O-N 3.08Å; G220-C222 PolarHBondContact O-N 3.09Å; C222-Y226 PolarHBondContact O-N 3.08Å; C222-V527 HydrophobicContact CB-CG1 4.06Å; C222-P538 HydrophobicContact CB-CG 4.01Å; C222-P538 WeakPolarHBondContact O-CG 3.37Å
223	V	98.1	Very high	96	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-73.4	-37	179.4	177.9	0	0	0	0	111.6	L219 G220 F221 R225 Y226 D227 P538 V543 A546	L219-V223 HydrophobicContact CD1-CG2 3.99Å; L219-V223 HydrophobicContact CG-CG2 4.14Å; L219-V223 PolarHBondContact O-N 3.03Å; G220-V223 PolarHBondContact O-N 2.88Å; F221-V223 VanDerWaalsContact C-N 3.34Å; F221-V223 PolarHBondContact O-N 3.24Å; V223-R225 VanDerWaalsContact C-N 3.32Å; V223-R225 PolarHBondContact O-N 3.06Å; V223-Y226 CarbonylContact O-C 3.57Å; V223-Y226 WeakPolarHBondContact O-CA 3.33Å; V223-Y226 WeakPolarHBondContact O-CB 3.09Å; V223-Y226 PolarHBondContact O-N 2.86Å; V223-D227 PolarHBondContact O-N 3.1Å; V223-P538 HydrophobicContact CG2-CB 4.11Å; V223-P538 HydrophobicContact CG2-CG 4.21Å; V223-V543 HydrophobicContact CG1-CG1 4.48Å; V223-V543 HydrophobicContact CG2-CG2 4.49Å; V223-A546 HydrophobicContact CB-CB 3.78Å; V223-A546 HydrophobicContact CG1-CB 3.85Å; V223-A546 HydrophobicContact CG2-CB 3.66Å
224	A	97.9	Very high	95.9	Very high	46 Å²	46	42.4 Å²	42.4	38%	0.38	22%	0.222	S	C	.	.	H	α-helix	trans	-57.7	-45.1	172.7	0	0	0	0	0	111.4	G220 F221 Y226 D227 E228	G220-A224 WeakPolarHBondContact O-CB 3.34Å; G220-A224 PolarHBondContact O-N 3.43Å; F221-A224 PolarHBondContact O-N 3.19Å; A224-Y226 PolarHBondContact O-N 3.03Å; A224-D227 PolarHBondContact O-N 3.43Å; A224-E228 WeakPolarHBondContact O-CG 3.04Å; A224-E228 PolarHBondContact O-N 2.86Å
225	R	98.1	Very high	95.8	Very high	47 Å²	47	47.9 Å²	47.9	18%	0.177	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-40.1	172.8	178.3	58.5	65.4	67.2	6.6	112.3	F221 V223 D227 E228 I229 D492 L494 E498	F221-R225 PolarHBondContact O-N 3.44Å; F221-R225 VanDerWaalsContact O-N 3.15Å; V223-R225 VanDerWaalsContact C-N 3.32Å; V223-R225 PolarHBondContact O-N 3.06Å; R225-D227 VanDerWaalsContact C-N 3.3Å; R225-D227 PolarHBondContact O-N 2.84Å; R225-E228 WeakPolarHBondContact CD-OE2 3.27Å; R225-E228 IonicContact NE-OE2 2.73Å; R225-E228 PolarHBondContact NE-OE2 2.68Å; R225-E228 VanDerWaalsContact NE-OE2 3.09Å; R225-E228 WeakPolarHBondContact O-CB 3.46Å; R225-E228 PolarHBondContact O-N 3.47Å; R225-I229 HydrophobicContact CG-CD1 4.08Å; R225-I229 VanDerWaalsContact O-CG1 3.23Å; R225-I229 WeakPolarHBondContact O-CG1 3.1Å; R225-I229 PolarHBondContact O-N 3.37Å; R225-D492 WeakPolarHBondContact CD-O 3.45Å; R225-D492 WeakPolarHBondContact CG-O 3.16Å; R225-D492 PolarHBondContact NH1-O 3.2Å; R225-L494 HydrophobicContact CB-CD1 4.32Å; R225-L494 HydrophobicContact CB-CG 3.9Å; R225-L494 HydrophobicContact CG-CG 4.15Å; R225-L494 VanDerWaalsContact NH2-CD2 3.35Å; R225-E498 IonicContact NH1-OE2 3.53Å
226	Y	97.3	Very high	95.9	Very high	57 Å²	57	53.7 Å²	53.7	22%	0.224	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-43.4	174.4	165.5	-85.7	0	0	0	111.3	C222 V223 A224 I229 Q230 Y493 P538 V543	C222-Y226 PolarHBondContact O-N 3.08Å; V223-Y226 CarbonylContact O-C 3.57Å; V223-Y226 WeakPolarHBondContact O-CA 3.33Å; V223-Y226 WeakPolarHBondContact O-CB 3.09Å; V223-Y226 PolarHBondContact O-N 2.86Å; A224-Y226 PolarHBondContact O-N 3.03Å; Y226-I229 WeakPolarHBondContact O-CB 3.5Å; Y226-I229 PolarHBondContact O-N 3.36Å; Y226-I229 VanDerWaalsContact O-N 3.16Å; Y226-Q230 HydrophobicContact CD1-CG 4.05Å; Y226-Q230 HydrophobicContact CD2-CG 4.35Å; Y226-Q230 HydrophobicContact CE1-CG 3.56Å; Y226-Q230 HydrophobicContact CE2-CG 3.88Å; Y226-Q230 HydrophobicContact CG-CG 4.4Å; Y226-Q230 VanDerWaalsContact CZ-CG 3.45Å; Y226-Q230 WeakPolarHBondContact O-CG 3.34Å; Y226-Q230 PolarHBondContact O-N 2.92Å; Y226-Y493 AromaticContact CD2-CE1 3.89Å; Y226-Y493 HydrophobicContact CD2-CE1 3.89Å; Y226-P538 HydrophobicContact CG-CG 4.46Å; Y226-V543 HydrophobicContact CD1-CG1 4.2Å; Y226-V543 HydrophobicContact CD1-CG2 3.93Å; Y226-V543 HydrophobicContact CD2-CG2 4.36Å; Y226-V543 HydrophobicContact CE1-CG1 3.76Å; Y226-V543 HydrophobicContact CE1-CG2 3.89Å; Y226-V543 HydrophobicContact CE2-CG2 4.35Å; Y226-V543 HydrophobicContact CG-CG2 4.19Å
227	D	93.7	Very high	95.9	Very high	52 Å²	52	55.4 Å²	55.4	28%	0.278	28%	0.275	S	S	.	.	H	α-helix	trans	-66.8	-39.6	179.1	-66.5	-26.4	0	0	0	112	V223 A224 R225 I229 Q230 S231 H547	V223-D227 PolarHBondContact O-N 3.1Å; A224-D227 PolarHBondContact O-N 3.43Å; R225-D227 VanDerWaalsContact C-N 3.3Å; R225-D227 PolarHBondContact O-N 2.84Å; D227-I229 VanDerWaalsContact C-N 3.26Å; D227-I229 PolarHBondContact O-N 3.34Å; D227-Q230 PolarHBondContact O-N 3.39Å; D227-S231 WeakPolarHBondContact O-CB 3.3Å; D227-S231 PolarHBondContact O-N 2.87Å; D227-S231 PolarHBondContact O-OG 2.71Å; D227-H547 IonicContact OD1-CE1 3.66Å; D227-H547 PolarHBondContact OD1-CE1 2.97Å; D227-H547 IonicContact OD1-NE2 3.69Å; D227-H547 PolarHBondContact OD1-NE2 3.47Å; D227-H547 IonicContact OD2-CD2 2.65Å; D227-H547 IonicContact OD2-CE1 2.78Å; D227-H547 IonicContact OD2-NE2 3.13Å; D227-H547 PolarHBondContact OD2-NE2 3.07Å
228	E	95.9	Very high	95.9	Very high	100 Å²	100	56.3 Å²	56.3	47%	0.467	28%	0.278	S	S	.	.	H	α-helix	trans	-55.9	-42.7	170.9	-73.1	170.2	-169.9	0	0	111.1	A224 R225 F232 P491	A224-E228 WeakPolarHBondContact O-CG 3.04Å; A224-E228 PolarHBondContact O-N 2.86Å; R225-E228 WeakPolarHBondContact CD-OE2 3.27Å; R225-E228 IonicContact NE-OE2 2.73Å; R225-E228 PolarHBondContact NE-OE2 2.68Å; R225-E228 VanDerWaalsContact NE-OE2 3.09Å; R225-E228 WeakPolarHBondContact O-CB 3.46Å; R225-E228 PolarHBondContact O-N 3.47Å; E228-F232 WeakPolarHBondContact O-CB 3.44Å; E228-F232 PolarHBondContact O-N 2.99Å; E228-F232 VanDerWaalsContact O-N 3.13Å; E228-P491 HydrophobicContact CB-CG 4.28Å
229	I	92.9	Very high	95.8	Very high	28 Å²	28	57.2 Å²	57.2	14%	0.144	28%	0.283	C	S	.	.	H	α-helix	trans	-68.1	-45.9	178.3	-64.9	167.3	0	0	0	111.3	R225 Y226 D227 F232 P490 P491 Y493	R225-I229 HydrophobicContact CG-CD1 4.08Å; R225-I229 VanDerWaalsContact O-CG1 3.23Å; R225-I229 WeakPolarHBondContact O-CG1 3.1Å; R225-I229 PolarHBondContact O-N 3.37Å; Y226-I229 WeakPolarHBondContact O-CB 3.5Å; Y226-I229 PolarHBondContact O-N 3.36Å; Y226-I229 VanDerWaalsContact O-N 3.16Å; D227-I229 VanDerWaalsContact C-N 3.26Å; D227-I229 PolarHBondContact O-N 3.34Å; I229-F232 PolarHBondContact O-N 3.25Å; I229-P490 HydrophobicContact CG2-CB 4.38Å; I229-P491 HydrophobicContact CG1-CG 3.93Å; I229-P491 VanDerWaalsContact CG1-O 3.29Å; I229-P491 WeakPolarHBondContact CG1-O 3.28Å; I229-Y493 HydrophobicContact CD1-CD1 3.65Å; I229-Y493 HydrophobicContact CD1-CD2 4.38Å; I229-Y493 HydrophobicContact CD1-CE1 3.7Å; I229-Y493 HydrophobicContact CD1-CE2 4.47Å; I229-Y493 HydrophobicContact CD1-CG 4Å
230	Q	88.5	Confident	95.8	Very high	110 Å²	110	57.1 Å²	57.1	51%	0.514	28%	0.283	S	S	.	.	H	α-helix	trans	-68.5	-36.5	-177.1	-65.8	-46.9	-66.3	0	0	112.6	Y226 D227	Y226-Q230 HydrophobicContact CD1-CG 4.05Å; Y226-Q230 HydrophobicContact CD2-CG 4.35Å; Y226-Q230 HydrophobicContact CE1-CG 3.56Å; Y226-Q230 HydrophobicContact CE2-CG 3.88Å; Y226-Q230 HydrophobicContact CG-CG 4.4Å; Y226-Q230 VanDerWaalsContact CZ-CG 3.45Å; Y226-Q230 WeakPolarHBondContact O-CG 3.34Å; Y226-Q230 PolarHBondContact O-N 2.92Å; D227-Q230 PolarHBondContact O-N 3.39Å
231	S	88.2	Confident	95.8	Very high	88 Å²	88	58.6 Å²	58.6	62%	0.615	29%	0.29	S	S	*	.	H	α-helix	trans	-87	-8.7	-178.5	62.7	0	0	0	0	113.7	D227 Q233	D227-S231 WeakPolarHBondContact O-CB 3.3Å; D227-S231 PolarHBondContact O-N 2.87Å; D227-S231 PolarHBondContact O-OG 2.71Å; S231-Q233 PolarHBondContact O-N 3.23Å
232	F	91.9	Very high	95.7	Very high	65 Å²	65	57.5 Å²	57.5	29%	0.285	29%	0.285	S	S	.	.			trans	-60.4	123.8	179.5	-172.1	-97.8	0	0	0	111.4	E228 I229 P234 T488 N489 P490	E228-F232 WeakPolarHBondContact O-CB 3.44Å; E228-F232 PolarHBondContact O-N 2.99Å; E228-F232 VanDerWaalsContact O-N 3.13Å; I229-F232 PolarHBondContact O-N 3.25Å; F232-P234 HydrophobicContact CD1-CG 3.95Å; F232-P234 HydrophobicContact CE1-CB 4.19Å; F232-P234 HydrophobicContact CE1-CG 3.93Å; F232-P234 WeakPolarHBondContact O-CD 3.4Å; F232-T488 WeakPolarHBondContact CZ-OG1 3.48Å; F232-N489 VanDerWaalsContact CZ-C 3.47Å; F232-N489 WeakPolarHBondContact CZ-O 3.48Å; F232-P490 HydrophobicContact CB-CB 3.93Å; F232-P490 HydrophobicContact CD1-CB 3.7Å; F232-P490 HydrophobicContact CD1-CG 4.37Å; F232-P490 HydrophobicContact CD2-CB 4.46Å; F232-P490 HydrophobicContact CE1-CB 4.31Å; F232-P490 VanDerWaalsContact CE1-N 3.33Å; F232-P490 HydrophobicContact CG-CB 3.78Å
233	Q	92.8	Very high	95.6	Very high	166 Å²	166	59.3 Å²	59.3	78%	0.776	29%	0.294	S	S	*	.			trans	-104.7	110.3	171	-64.4	-159.5	14.6	0	0	109.6	S231 E235	S231-Q233 PolarHBondContact O-N 3.23Å; Q233-E235 PolarHBondContact O-N 2.77Å
234	P	94.8	Very high	95.5	Very high	67 Å²	67	59.2 Å²	59.2	44%	0.435	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-58.9	129.1	177.1	-27.2	36.6	0	0	0	112.1	F232 M487	F232-P234 HydrophobicContact CD1-CG 3.95Å; F232-P234 HydrophobicContact CE1-CB 4.19Å; F232-P234 HydrophobicContact CE1-CG 3.93Å; F232-P234 WeakPolarHBondContact O-CD 3.4Å; P234-M487 HydrophobicContact CB-CE 3.5Å; P234-M487 HydrophobicContact CB-SD 4.49Å
235	E	96.1	Very high	95.4	Very high	118 Å²	118	57.9 Å²	57.9	55%	0.551	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-104	135.7	176.7	-70.9	-175.7	-121.7	0	0	109.8	Q233 F262 T488	Q233-E235 PolarHBondContact O-N 2.77Å; E235-F262 HydrophobicContact CB-CD1 3.96Å; E235-F262 HydrophobicContact CB-CE1 3.8Å; E235-T488 HydrophobicContact CB-CG2 4.46Å; E235-T488 PolarHBondContact N-OG1 2.9Å; E235-T488 PolarHBondContact O-N 3.35Å
236	R	97.6	Very high	95.2	Very high	138 Å²	138	57 Å²	57	52%	0.521	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	134	172.1	-72.3	-179.3	-170.8	-154.8	10.4	109.3	W238 F262 E485 K486 M487	R236-W238 HydrophobicContact CB-CH2 3.92Å; R236-W238 HydrophobicContact CB-CZ2 4.24Å; R236-W238 HydrophobicContact CB-CZ3 4.43Å; R236-F262 WeakPolarHBondContact O-CD1 3.45Å; R236-E485 WeakPolarHBondContact CD-OE1 3.45Å; R236-E485 IonicContact CZ-OE1 3.73Å; R236-E485 IonicContact NE-OE1 3.19Å; R236-E485 IonicContact NH1-OE1 3.87Å; R236-E485 PolarHBondContact NH1-OE1 2.84Å; R236-K486 WeakPolarHBondContact CA-O 3.38Å; R236-M487 HydrophobicContact CB-SD 4.24Å; R236-M487 HydrophobicContact CG-CG 4.48Å; R236-M487 HydrophobicContact CG-SD 3.29Å; R236-M487 WeakPolarHBondContact CG-SD 3.38Å
237	Y	98	Very high	94.6	Very high	41 Å²	41	63.8 Å²	63.8	16%	0.161	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.2	169.9	70.3	-87.8	0	0	0	110.2	T239 R260 M261 F262 K486 M487 T488	Y237-T239 HydrophobicContact CD2-CG2 3.86Å; Y237-T239 HydrophobicContact CE2-CG2 3.66Å; Y237-R260 HydrophobicContact CD2-CB 3.53Å; Y237-R260 HydrophobicContact CD2-CG 4.39Å; Y237-R260 HydrophobicContact CE2-CB 4.17Å; Y237-R260 HydrophobicContact CG-CB 4.26Å; Y237-M261 CarbonylContact C-O 3.6Å; Y237-M261 VanDerWaalsContact CA-O 3.27Å; Y237-M261 WeakPolarHBondContact CA-O 2.86Å; Y237-F262 HydrophobicContact CD1-CE1 4.47Å; Y237-F262 HydrophobicContact CG-CE1 4.46Å; Y237-K486 HydrophobicContact CD1-CB 4.2Å; Y237-K486 HydrophobicContact CD2-CB 4.16Å; Y237-K486 HydrophobicContact CE1-CB 3.69Å; Y237-K486 HydrophobicContact CE2-CB 3.67Å; Y237-K486 HydrophobicContact CE2-CD 3.9Å; Y237-K486 HydrophobicContact CE2-CG 4.35Å; Y237-K486 HydrophobicContact CG-CB 4.43Å; Y237-K486 PolarHBondContact N-O 3.32Å; Y237-K486 PolarHBondContact O-N 3.38Å; Y237-K486 VanDerWaalsContact O-O 3.08Å; Y237-M487 VanDerWaalsContact CE1-C 3.42Å; Y237-M487 WeakPolarHBondContact CE1-O 3.38Å; Y237-T488 HydrophobicContact CD1-CG2 3.73Å; Y237-T488 HydrophobicContact CE1-CG2 3.94Å
238	W	98.2	Very high	94.2	Very high	22 Å²	22	66.8 Å²	66.8	8%	0.083	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.2	179.6	-60.7	-92.7	0	0	0	111.2	R236 R260 M261 F262 R264 F267 D484 E485	R236-W238 HydrophobicContact CB-CH2 3.92Å; R236-W238 HydrophobicContact CB-CZ2 4.24Å; R236-W238 HydrophobicContact CB-CZ3 4.43Å; W238-R260 WeakPolarHBondContact O-CA 3.16Å; W238-M261 PolarHBondContact N-O 2.91Å; W238-M261 PolarHBondContact O-N 3.34Å; W238-F262 WeakPolarHBondContact CZ3-O 3.24Å; W238-R264 HydrophobicContact CH2-CB 3.59Å; W238-R264 HydrophobicContact CH2-CG 4.06Å; W238-R264 HydrophobicContact CZ2-CB 3.95Å; W238-R264 HydrophobicContact CZ2-CG 3.87Å; W238-R264 HydrophobicContact CZ3-CB 3.9Å; W238-F267 HydrophobicContact CB-CD1 3.7Å; W238-F267 HydrophobicContact CB-CD2 3.48Å; W238-F267 VanDerWaalsContact CB-CD2 3.48Å; W238-F267 HydrophobicContact CB-CE1 3.57Å; W238-F267 HydrophobicContact CB-CE2 3.31Å; W238-F267 HydrophobicContact CB-CG 3.66Å; W238-F267 HydrophobicContact CB-CZ 3.39Å; W238-F267 AromaticContact CD1-CE1 3.81Å; W238-F267 HydrophobicContact CD2-CD1 4.35Å; W238-F267 AromaticContact CG-CD1 3.73Å; W238-F267 HydrophobicContact CG-CD1 3.73Å; W238-F267 HydrophobicContact CG-CD2 4.35Å; W238-F267 AromaticContact CG-CE1 3.77Å; W238-F267 HydrophobicContact CG-CE1 3.77Å; W238-F267 HydrophobicContact CG-CE2 4.36Å; W238-F267 HydrophobicContact CG-CG 4.03Å; W238-F267 HydrophobicContact CG-CZ 4.11Å; W238-D484 CarbonylContact C-O 3.54Å; W238-D484 WeakPolarHBondContact CA-O 3.39Å; W238-E485 HydrophobicContact CZ2-CG 4.4Å; W238-E485 PolarHBondContact NE1-OE2 3.45Å
239	T	97.9	Very high	93.9	Very high	18 Å²	18	64.3 Å²	64.3	11%	0.11	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	152.9	176	62.3	0	0	0	0	109.9	Y237 E259 R260 D484 K486	Y237-T239 HydrophobicContact CD2-CG2 3.86Å; Y237-T239 HydrophobicContact CE2-CG2 3.66Å; T239-E259 WeakPolarHBondContact CG2-O 3.29Å; T239-R260 HydrophobicContact CG2-CB 4.22Å; T239-D484 PolarHBondContact N-O 3.36Å; T239-D484 PolarHBondContact O-N 3.45Å; T239-K486 HydrophobicContact CG2-CD 4.42Å
240	I	98.2	Very high	93.8	Very high	2 Å²	2	65.9 Å²	65.9	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.5	175.7	-47.4	178.6	0	0	0	108.7	W256 F267 I270 V271 L274 F440 V481 V482	I240-W256 HydrophobicContact CB-CB 3.99Å; I240-W256 HydrophobicContact CB-CD2 4.23Å; I240-W256 HydrophobicContact CB-CE3 4.3Å; I240-W256 HydrophobicContact CB-CG 4.16Å; I240-W256 HydrophobicContact CD1-CD2 3.98Å; I240-W256 HydrophobicContact CD1-CE3 4.09Å; I240-W256 HydrophobicContact CD1-CH2 4.04Å; I240-W256 HydrophobicContact CD1-CZ2 3.99Å; I240-W256 HydrophobicContact CD1-CZ3 4.11Å; I240-W256 HydrophobicContact CG1-CD2 4.02Å; I240-W256 HydrophobicContact CG1-CE3 3.82Å; I240-W256 HydrophobicContact CG1-CG 4.47Å; I240-W256 HydrophobicContact CG1-CZ3 4.08Å; I240-W256 VanDerWaalsContact O-CB 3.26Å; I240-W256 WeakPolarHBondContact O-CB 3.04Å; I240-W256 PolarHBondContact O-N 3.46Å; I240-F267 HydrophobicContact CD1-CD2 4.37Å; I240-F267 HydrophobicContact CD1-CE2 3.79Å; I240-F267 HydrophobicContact CD1-CZ 4.41Å; I240-F267 HydrophobicContact CG1-CD2 4.34Å; I240-F267 HydrophobicContact CG1-CE2 3.36Å; I240-F267 HydrophobicContact CG1-CZ 3.84Å; I240-I270 HydrophobicContact CD1-CG2 3.98Å; I240-V271 HydrophobicContact CD1-CG2 3.86Å; I240-V271 HydrophobicContact CG1-CG2 4.31Å; I240-L274 HydrophobicContact CD1-CD1 3.78Å; I240-L274 HydrophobicContact CG2-CD1 4.35Å; I240-F440 HydrophobicContact CB-CE1 4.03Å; I240-F440 HydrophobicContact CG2-CE1 3.75Å; I240-F440 HydrophobicContact CG2-CZ 4.13Å; I240-V481 HydrophobicContact CG2-CG1 3.72Å; I240-V482 CarbonylContact C-O 3.59Å; I240-V482 WeakPolarHBondContact CA-O 3.45Å
241	T	97.7	Very high	94	Very high	39 Å²	39	65 Å²	65	24%	0.239	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.9	164.7	-53.6	0	0	0	0	108	K253 A254 V482	T241-K253 HydrophobicContact CG2-CB 4.39Å; T241-A254 WeakPolarHBondContact CA-O 3.39Å; T241-V482 PolarHBondContact N-O 3.02Å; T241-V482 PolarHBondContact O-N 3.33Å
242	L	97.6	Very high	94.2	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.6	175.1	-173.6	71.9	0	0	0	109.2	K253 A254 A280 I433 A435 F440 I478 V481	L242-K253 CarbonylContact O-C 3.6Å; L242-K253 WeakPolarHBondContact O-CA 3.4Å; L242-A254 PolarHBondContact N-O 3.48Å; L242-A254 PolarHBondContact O-N 3.17Å; L242-A280 HydrophobicContact CD2-CB 4.07Å; L242-I433 HydrophobicContact CD2-CD1 4.49Å; L242-A435 HydrophobicContact CD1-CB 4.43Å; L242-A435 HydrophobicContact CD2-CB 3.95Å; L242-F440 HydrophobicContact CB-CB 4.47Å; L242-F440 HydrophobicContact CB-CD1 3.53Å; L242-F440 HydrophobicContact CB-CD2 4.15Å; L242-F440 HydrophobicContact CB-CE1 3.71Å; L242-F440 HydrophobicContact CB-CE2 4.3Å; L242-F440 HydrophobicContact CB-CG 3.79Å; L242-F440 HydrophobicContact CB-CZ 4.1Å; L242-F440 HydrophobicContact CD2-CD2 3.71Å; L242-F440 HydrophobicContact CD2-CE2 4.04Å; L242-F440 HydrophobicContact CD2-CG 4.03Å; L242-F440 HydrophobicContact CG-CD2 4.47Å; L242-I478 HydrophobicContact CD1-CD1 4.28Å; L242-I478 HydrophobicContact CD1-CG1 4.28Å; L242-I478 HydrophobicContact CD1-CG2 3.91Å; L242-V481 HydrophobicContact CD1-CG2 4.02Å
243	E	97	Very high	94.3	Very high	38 Å²	38	64.1 Å²	64.1	18%	0.178	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.9	169.4	-47.4	-168.4	167	0	0	109.4	V252 K253 T479 A480 V482	E243-V252 CarbonylContact C-O 3.55Å; E243-V252 VanDerWaalsContact CA-O 3.3Å; E243-V252 WeakPolarHBondContact CA-O 3.38Å; E243-K253 HydrophobicContact CG-CD 4.18Å; E243-K253 HydrophobicContact CG-CG 4.04Å; E243-K253 WeakPolarHBondContact OE1-CE 3.32Å; E243-K253 IonicContact OE1-NZ 3.78Å; E243-K253 PolarHBondContact OE1-NZ 3.4Å; E243-T479 VanDerWaalsContact C-OG1 3.3Å; E243-T479 PolarHBondContact O-N 2.77Å; E243-T479 PolarHBondContact O-OG1 3.46Å; E243-T479 VanDerWaalsContact O-OG1 3.1Å; E243-A480 HydrophobicContact CB-CB 3.99Å; E243-A480 HydrophobicContact CG-CB 4.13Å; E243-A480 PolarHBondContact N-O 3.41Å; E243-A480 PolarHBondContact O-N 2.64Å; E243-A480 VanDerWaalsContact O-N 3.09Å; E243-V482 HydrophobicContact CG-CG2 4.25Å
244	A	96.1	Very high	94.5	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	164	178.5	0	0	0	0	0	110.8	T251 V252 L476 R477	A244-T251 CarbonylContact O-C 3.54Å; A244-T251 WeakPolarHBondContact O-CA 3.39Å; A244-V252 PolarHBondContact N-O 2.84Å; A244-V252 PolarHBondContact O-N 3.48Å; A244-L476 HydrophobicContact CB-CB 3.83Å; A244-L476 HydrophobicContact CB-CD1 4.37Å; A244-R477 CarbonylContact C-O 3.59Å; A244-R477 VanDerWaalsContact CA-O 3.24Å; A244-R477 WeakPolarHBondContact CA-O 3.47Å; A244-R477 WeakPolarHBondContact CB-O 3.29Å
245	V	95.1	Very high	94.6	Very high	17 Å²	17	56.5 Å²	56.5	10%	0.103	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.4	-179.6	76.1	0	0	0	0	110.9	G249 V250 R477 T479	V245-G249 VanDerWaalsContact CG2-C 3.42Å; V245-G249 WeakPolarHBondContact CG2-O 3.48Å; V245-V250 WeakPolarHBondContact CA-O 3.16Å; V245-V250 WeakPolarHBondContact CG2-O 3.44Å; V245-R477 HydrophobicContact CG1-CB 4.09Å; V245-R477 PolarHBondContact N-O 3.37Å; V245-R477 PolarHBondContact O-N 3.42Å; V245-T479 HydrophobicContact CB-CG2 3.91Å; V245-T479 HydrophobicContact CG1-CG2 3.69Å
246	K	93.3	Very high	94.6	Very high	30 Å²	30	51.2 Å²	51.2	13%	0.13	27%	0.269	C	S	.	.			trans	-68	163.1	168.5	-68.4	-168	69.8	150.1	0	110.7	N248 G249 V250 E469 L470 E474 L476	K246-N248 WeakPolarHBondContact CB-OD1 3.35Å; K246-N248 PolarHBondContact O-N 3.01Å; K246-G249 PolarHBondContact O-N 3Å; K246-V250 HydrophobicContact CB-CB 4.26Å; K246-V250 HydrophobicContact CD-CB 4.1Å; K246-V250 HydrophobicContact CG-CB 4.28Å; K246-V250 PolarHBondContact N-O 3.49Å; K246-E469 PolarHBondContact NZ-O 3.44Å; K246-L470 HydrophobicContact CD-CD2 3.91Å; K246-L470 HydrophobicContact CG-CD2 4.13Å; K246-E474 WeakPolarHBondContact CE-OE1 3.09Å; K246-E474 IonicContact NZ-OE1 3.77Å; K246-E474 PolarHBondContact NZ-OE1 3.4Å; K246-E474 IonicContact NZ-OE2 2.73Å; K246-E474 PolarHBondContact NZ-OE2 2.94Å; K246-L476 HydrophobicContact CB-CD2 4.36Å; K246-L476 HydrophobicContact CG-CD2 3.57Å
247	Q	84.2	Confident	94.6	Very high	199 Å²	199	48.4 Å²	48.4	93%	0.93	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-31	173.6	-71.7	-174.2	-5.6	0	0	113	G249	Q247-G249 PolarHBondContact O-N 2.86Å
248	N	87.1	Confident	94.5	Very high	114 Å²	114	53.5 Å²	53.5	61%	0.61	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	7.4	177	69.4	-7.7	0	0	0	113.9	K246 V250	K246-N248 WeakPolarHBondContact CB-OD1 3.35Å; K246-N248 PolarHBondContact O-N 3.01Å; N248-V250 WeakPolarHBondContact OD1-CG2 3.4Å; N248-V250 PolarHBondContact OD1-N 3.48Å
249	G	89	Confident	94.4	Very high	49 Å²	49	59.1 Å²	59.1	51%	0.505	31%	0.31	S	S	.	.	S	Bend	trans	89.1	-3.2	176.1	0	0	0	0	0	115.9	V245 K246 Q247 T251	V245-G249 VanDerWaalsContact CG2-C 3.42Å; V245-G249 WeakPolarHBondContact CG2-O 3.48Å; K246-G249 PolarHBondContact O-N 3Å; Q247-G249 PolarHBondContact O-N 2.86Å; G249-T251 PolarHBondContact O-N 2.92Å
250	V	90.3	Very high	94.3	Very high	61 Å²	61	64 Å²	64	37%	0.37	33%	0.326	S	S	.	.			trans	-70	124.1	177.7	177.5	0	0	0	0	110.8	V245 K246 N248 P468	V245-V250 WeakPolarHBondContact CA-O 3.16Å; V245-V250 WeakPolarHBondContact CG2-O 3.44Å; K246-V250 HydrophobicContact CB-CB 4.26Å; K246-V250 HydrophobicContact CD-CB 4.1Å; K246-V250 HydrophobicContact CG-CB 4.28Å; K246-V250 PolarHBondContact N-O 3.49Å; N248-V250 WeakPolarHBondContact OD1-CG2 3.4Å; N248-V250 PolarHBondContact OD1-N 3.48Å; V250-P468 HydrophobicContact CG1-CB 3.73Å
251	T	92.5	Very high	94.2	Very high	90 Å²	90	65.4 Å²	65.4	55%	0.552	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	146.4	-179.4	-10.9	0	0	0	0	112.2	A244 G249	A244-T251 CarbonylContact O-C 3.54Å; A244-T251 WeakPolarHBondContact O-CA 3.39Å; G249-T251 PolarHBondContact O-N 2.92Å
252	V	93	Very high	94.2	Very high	2 Å²	2	67.8 Å²	67.8	1%	0.012	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.2	-176.2	-172.9	0	0	0	0	107.4	E243 A244 I433 L442 P468 L470 L476	E243-V252 CarbonylContact C-O 3.55Å; E243-V252 VanDerWaalsContact CA-O 3.3Å; E243-V252 WeakPolarHBondContact CA-O 3.38Å; A244-V252 PolarHBondContact N-O 2.84Å; A244-V252 PolarHBondContact O-N 3.48Å; V252-I433 HydrophobicContact CG1-CD1 4.06Å; V252-L442 HydrophobicContact CG1-CD1 3.74Å; V252-L442 HydrophobicContact CG1-CD2 3.46Å; V252-L442 VanDerWaalsContact CG1-CD2 3.46Å; V252-L442 HydrophobicContact CG1-CG 4.18Å; V252-P468 HydrophobicContact CG1-CG 4.39Å; V252-P468 HydrophobicContact CG2-CG 3.93Å; V252-L470 HydrophobicContact CG1-CD1 4.34Å; V252-L476 HydrophobicContact CB-CD1 4.49Å; V252-L476 HydrophobicContact CG1-CD1 4.43Å; V252-L476 HydrophobicContact CG2-CD1 4.14Å
253	K	94.7	Very high	94.2	Very high	134 Å²	134	71.3 Å²	71.3	58%	0.583	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.5	169.8	-66.2	-156.2	-171.8	-159.1	0	109.6	T241 L242 E243 L442	T241-K253 HydrophobicContact CG2-CB 4.39Å; L242-K253 CarbonylContact O-C 3.6Å; L242-K253 WeakPolarHBondContact O-CA 3.4Å; E243-K253 HydrophobicContact CG-CD 4.18Å; E243-K253 HydrophobicContact CG-CG 4.04Å; E243-K253 WeakPolarHBondContact OE1-CE 3.32Å; E243-K253 IonicContact OE1-NZ 3.78Å; E243-K253 PolarHBondContact OE1-NZ 3.4Å; K253-L442 WeakPolarHBondContact O-CD2 3.36Å
254	A	95.7	Very high	94.2	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.4	-176	0	0	0	0	0	112.7	T241 L242 I433 F440 L442	T241-A254 WeakPolarHBondContact CA-O 3.39Å; L242-A254 PolarHBondContact N-O 3.48Å; L242-A254 PolarHBondContact O-N 3.17Å; A254-I433 HydrophobicContact CB-CD1 3.64Å; A254-I433 HydrophobicContact CB-CG1 4.12Å; A254-F440 HydrophobicContact CB-CB 3.65Å; A254-L442 HydrophobicContact CB-CD1 3.71Å; A254-L442 HydrophobicContact CB-CG 3.72Å
255	S	96.5	Very high	94.2	Very high	72 Å²	72	80.8 Å²	80.8	50%	0.503	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	138.4	-179.6	-39.6	0	0	0	0	109.6	L257 F440 C441	S255-L257 PolarHBondContact O-N 3.02Å; S255-F440 CarbonylContact O-C 3.58Å; S255-F440 WeakPolarHBondContact O-CA 3.44Å; S255-C441 PolarHBondContact N-O 3.46Å; S255-C441 PolarHBondContact O-N 2.92Å
256	W	97.8	Very high	94.3	Very high	8 Å²	8	82.5 Å²	82.5	3%	0.03	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	130.4	175.4	-170.3	33.8	0	0	0	112.2	I240 R258 E259 M261 F267 I270 E438 F440	I240-W256 HydrophobicContact CB-CB 3.99Å; I240-W256 HydrophobicContact CB-CD2 4.23Å; I240-W256 HydrophobicContact CB-CE3 4.3Å; I240-W256 HydrophobicContact CB-CG 4.16Å; I240-W256 HydrophobicContact CD1-CD2 3.98Å; I240-W256 HydrophobicContact CD1-CE3 4.09Å; I240-W256 HydrophobicContact CD1-CH2 4.04Å; I240-W256 HydrophobicContact CD1-CZ2 3.99Å; I240-W256 HydrophobicContact CD1-CZ3 4.11Å; I240-W256 HydrophobicContact CG1-CD2 4.02Å; I240-W256 HydrophobicContact CG1-CE3 3.82Å; I240-W256 HydrophobicContact CG1-CG 4.47Å; I240-W256 HydrophobicContact CG1-CZ3 4.08Å; I240-W256 VanDerWaalsContact O-CB 3.26Å; I240-W256 WeakPolarHBondContact O-CB 3.04Å; I240-W256 PolarHBondContact O-N 3.46Å; W256-R258 HydrophobicContact CD2-CB 3.99Å; W256-R258 HydrophobicContact CE3-CB 4.3Å; W256-R258 HydrophobicContact CH2-CB 4.5Å; W256-R258 HydrophobicContact CZ2-CB 4.14Å; W256-R258 HydrophobicContact CZ2-CG 4.21Å; W256-R258 PolarHBondContact O-N 3.18Å; W256-E259 WeakPolarHBondContact O-CA 3.42Å; W256-E259 PolarHBondContact O-N 2.97Å; W256-M261 HydrophobicContact CH2-CB 3.93Å; W256-M261 HydrophobicContact CH2-CE 3.52Å; W256-M261 HydrophobicContact CZ2-CE 4.12Å; W256-M261 HydrophobicContact CZ3-CB 3.84Å; W256-M261 HydrophobicContact CZ3-CE 4.48Å; W256-F267 HydrophobicContact CH2-CD2 4.21Å; W256-F267 HydrophobicContact CZ3-CD2 4.11Å; W256-F267 HydrophobicContact CZ3-CE2 4.18Å; W256-I270 HydrophobicContact CH2-CD1 4.28Å; W256-I270 HydrophobicContact CZ2-CD1 3.99Å; W256-I270 HydrophobicContact CZ2-CG2 4.06Å; W256-E438 PolarHBondContact NE1-OE2 2.9Å; W256-F440 VanDerWaalsContact CA-CD1 3.5Å; W256-F440 HydrophobicContact CB-CD1 4Å; W256-F440 HydrophobicContact CB-CE1 3.84Å; W256-F440 AromaticContact CD1-CE1 3.8Å; W256-F440 AromaticContact CD1-CZ 3.96Å; W256-F440 HydrophobicContact CG-CD1 4.49Å; W256-F440 HydrophobicContact CG-CE1 4.05Å
257	L	96.8	Very high	94.5	Very high	78 Å²	78	81.6 Å²	81.6	41%	0.408	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.5	-173.8	-168.9	69	0	0	0	113	S255 E259 I432 Q439 C441	S255-L257 PolarHBondContact O-N 3.02Å; L257-E259 PolarHBondContact O-N 3.04Å; L257-I432 HydrophobicContact CD1-CD1 4.11Å; L257-Q439 HydrophobicContact CB-CB 4.05Å; L257-Q439 VanDerWaalsContact CB-O 3.22Å; L257-Q439 WeakPolarHBondContact CB-O 3.3Å; L257-Q439 HydrophobicContact CD2-CB 3.76Å; L257-Q439 PolarHBondContact N-O 3.46Å; L257-C441 HydrophobicContact CD1-CB 4.01Å
258	R	95.8	Very high	95.1	Very high	148 Å²	148	75.8 Å²	75.8	56%	0.558	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-1.7	172.8	-59.2	-173.9	-169.8	-104	2.3	113.4	W256 R260 E438	W256-R258 HydrophobicContact CD2-CB 3.99Å; W256-R258 HydrophobicContact CE3-CB 4.3Å; W256-R258 HydrophobicContact CH2-CB 4.5Å; W256-R258 HydrophobicContact CZ2-CB 4.14Å; W256-R258 HydrophobicContact CZ2-CG 4.21Å; W256-R258 PolarHBondContact O-N 3.18Å; R258-R260 PolarHBondContact O-N 3.03Å; R258-E438 IonicContact CZ-OE1 2.88Å; R258-E438 IonicContact CZ-OE2 2.76Å; R258-E438 IonicContact NE-OE1 3.18Å; R258-E438 IonicContact NE-OE2 2.67Å; R258-E438 PolarHBondContact NE-OE2 3.4Å; R258-E438 IonicContact NH2-OE1 3.3Å; R258-E438 PolarHBondContact NH2-OE1 2.96Å; R258-E438 IonicContact NH2-OE2 3.13Å
259	E	95.9	Very high	95.6	Very high	140 Å²	140	75.2 Å²	75.2	65%	0.654	39%	0.385	S	S	*	.			trans	61.8	-65.1	-173.8	-55.9	-177.8	169.4	0	0	114	T239 W256 L257	T239-E259 WeakPolarHBondContact CG2-O 3.29Å; W256-E259 WeakPolarHBondContact O-CA 3.42Å; W256-E259 PolarHBondContact O-N 2.97Å; L257-E259 PolarHBondContact O-N 3.04Å
260	R	96	Very high	96	Very high	120 Å²	120	73.3 Å²	73.3	45%	0.453	36%	0.363	S	S	.	.			trans	-149.6	155.8	-173.2	55.7	-178.4	163.6	-178.2	-2.8	112.8	Y237 W238 T239 R258 F262	Y237-R260 HydrophobicContact CD2-CB 3.53Å; Y237-R260 HydrophobicContact CD2-CG 4.39Å; Y237-R260 HydrophobicContact CE2-CB 4.17Å; Y237-R260 HydrophobicContact CG-CB 4.26Å; W238-R260 WeakPolarHBondContact O-CA 3.16Å; T239-R260 HydrophobicContact CG2-CB 4.22Å; R258-R260 PolarHBondContact O-N 3.03Å; R260-F262 HydrophobicContact CG-CE2 4.14Å
261	M	97.1	Very high	96.3	Very high	32 Å²	32	71 Å²	71	16%	0.158	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-128.3	137	174.5	-174.7	80.3	67.8	0	0	109.7	Y237 W238 W256 D263 V266 F267 I270	Y237-M261 CarbonylContact C-O 3.6Å; Y237-M261 VanDerWaalsContact CA-O 3.27Å; Y237-M261 WeakPolarHBondContact CA-O 2.86Å; W238-M261 PolarHBondContact N-O 2.91Å; W238-M261 PolarHBondContact O-N 3.34Å; W256-M261 HydrophobicContact CH2-CB 3.93Å; W256-M261 HydrophobicContact CH2-CE 3.52Å; W256-M261 HydrophobicContact CZ2-CE 4.12Å; W256-M261 HydrophobicContact CZ3-CB 3.84Å; W256-M261 HydrophobicContact CZ3-CE 4.48Å; M261-D263 WeakPolarHBondContact CG-O 3.48Å; M261-V266 HydrophobicContact CE-CG1 3.81Å; M261-V266 HydrophobicContact SD-CB 4.33Å; M261-V266 HydrophobicContact SD-CG1 3.99Å; M261-F267 HydrophobicContact CB-CB 4.35Å; M261-F267 HydrophobicContact CB-CD2 4.08Å; M261-F267 HydrophobicContact CG-CB 3.98Å; M261-I270 HydrophobicContact CE-CD1 3.52Å
262	F	97.3	Very high	96.5	Very high	90 Å²	90	68.5 Å²	68.5	40%	0.395	34%	0.338	S	S	.	.			trans	-101.2	-12.2	176	-68.2	-93.9	0	0	0	113.3	E235 R236 Y237 W238 R260 T488	E235-F262 HydrophobicContact CB-CD1 3.96Å; E235-F262 HydrophobicContact CB-CE1 3.8Å; R236-F262 WeakPolarHBondContact O-CD1 3.45Å; Y237-F262 HydrophobicContact CD1-CE1 4.47Å; Y237-F262 HydrophobicContact CG-CE1 4.46Å; W238-F262 WeakPolarHBondContact CZ3-O 3.24Å; R260-F262 HydrophobicContact CG-CE2 4.14Å; F262-T488 HydrophobicContact CE1-CG2 3.93Å; F262-T488 HydrophobicContact CZ-CG2 4.15Å
263	D	97.3	Very high	96.7	Very high	74 Å²	74	71.2 Å²	71.2	40%	0.396	35%	0.348	S	S	.	.			trans	-93.6	112.6	174.2	-171.6	-56	0	0	0	111.1	M261 S265 V266 F267	M261-D263 WeakPolarHBondContact CG-O 3.48Å; D263-S265 VanDerWaalsContact C-N 3.34Å; D263-S265 PolarHBondContact O-N 3.05Å; D263-S265 WeakPolarHBondContact OD1-CA 3.48Å; D263-S265 WeakPolarHBondContact OD1-CB 3.41Å; D263-S265 PolarHBondContact OD1-N 2.94Å; D263-S265 PolarHBondContact OD1-OG 2.85Å; D263-V266 HydrophobicContact CB-CB 4.08Å; D263-V266 HydrophobicContact CB-CG2 4.05Å; D263-V266 PolarHBondContact OD1-N 2.81Å; D263-F267 VanDerWaalsContact O-CB 3.22Å; D263-F267 WeakPolarHBondContact O-CB 3.45Å; D263-F267 PolarHBondContact O-N 2.89Å
264	R	96.5	Very high	96.8	Very high	154 Å²	154	64.9 Å²	64.9	58%	0.581	32%	0.32	S	S	*	.	H	α-helix	trans	-62.9	-37.6	-179.9	-170.8	175	178.1	171.8	2.1	113.1	W238 T268	W238-R264 HydrophobicContact CH2-CB 3.59Å; W238-R264 HydrophobicContact CH2-CG 4.06Å; W238-R264 HydrophobicContact CZ2-CB 3.95Å; W238-R264 HydrophobicContact CZ2-CG 3.87Å; W238-R264 HydrophobicContact CZ3-CB 3.9Å; R264-T268 VanDerWaalsContact O-CB 3.31Å; R264-T268 WeakPolarHBondContact O-CB 3.05Å; R264-T268 PolarHBondContact O-N 2.85Å; R264-T268 PolarHBondContact O-OG1 2.85Å
265	S	96.9	Very high	96.8	Very high	84 Å²	84	71.7 Å²	71.7	59%	0.587	35%	0.35	S	S	*	.	H	α-helix	trans	-70.3	-46.1	-175.6	72.6	0	0	0	0	110.9	D263 T268 M269	D263-S265 VanDerWaalsContact C-N 3.34Å; D263-S265 PolarHBondContact O-N 3.05Å; D263-S265 WeakPolarHBondContact OD1-CA 3.48Å; D263-S265 WeakPolarHBondContact OD1-CB 3.41Å; D263-S265 PolarHBondContact OD1-N 2.94Å; D263-S265 PolarHBondContact OD1-OG 2.85Å; S265-T268 PolarHBondContact O-N 3.42Å; S265-M269 PolarHBondContact O-N 3.03Å
266	V	96.7	Very high	96.8	Very high	53 Å²	53	76.6 Å²	76.6	32%	0.321	36%	0.358	S	S	.	.	H	α-helix	trans	-63.9	-44.7	174.7	179.5	0	0	0	0	110.1	M261 D263 T268 M269 I270	M261-V266 HydrophobicContact CE-CG1 3.81Å; M261-V266 HydrophobicContact SD-CB 4.33Å; M261-V266 HydrophobicContact SD-CG1 3.99Å; D263-V266 HydrophobicContact CB-CB 4.08Å; D263-V266 HydrophobicContact CB-CG2 4.05Å; D263-V266 PolarHBondContact OD1-N 2.81Å; V266-T268 PolarHBondContact O-N 3.46Å; V266-M269 PolarHBondContact O-N 2.97Å; V266-I270 HydrophobicContact CG1-CD1 4Å; V266-I270 WeakPolarHBondContact O-CG1 3.36Å; V266-I270 PolarHBondContact O-N 3Å
267	F	97.3	Very high	96.6	Very high	11 Å²	11	77.4 Å²	77.4	5%	0.048	37%	0.366	C	S	.	.	H	α-helix	trans	-57	-48.1	175.2	-178.7	-102.3	0	0	0	112	W238 I240 W256 M261 D263 M269 I270 V271 A483	W238-F267 HydrophobicContact CB-CD1 3.7Å; W238-F267 HydrophobicContact CB-CD2 3.48Å; W238-F267 VanDerWaalsContact CB-CD2 3.48Å; W238-F267 HydrophobicContact CB-CE1 3.57Å; W238-F267 HydrophobicContact CB-CE2 3.31Å; W238-F267 HydrophobicContact CB-CG 3.66Å; W238-F267 HydrophobicContact CB-CZ 3.39Å; W238-F267 AromaticContact CD1-CE1 3.81Å; W238-F267 HydrophobicContact CD2-CD1 4.35Å; W238-F267 AromaticContact CG-CD1 3.73Å; W238-F267 HydrophobicContact CG-CD1 3.73Å; W238-F267 HydrophobicContact CG-CD2 4.35Å; W238-F267 AromaticContact CG-CE1 3.77Å; W238-F267 HydrophobicContact CG-CE1 3.77Å; W238-F267 HydrophobicContact CG-CE2 4.36Å; W238-F267 HydrophobicContact CG-CG 4.03Å; W238-F267 HydrophobicContact CG-CZ 4.11Å; I240-F267 HydrophobicContact CD1-CD2 4.37Å; I240-F267 HydrophobicContact CD1-CE2 3.79Å; I240-F267 HydrophobicContact CD1-CZ 4.41Å; I240-F267 HydrophobicContact CG1-CD2 4.34Å; I240-F267 HydrophobicContact CG1-CE2 3.36Å; I240-F267 HydrophobicContact CG1-CZ 3.84Å; W256-F267 HydrophobicContact CH2-CD2 4.21Å; W256-F267 HydrophobicContact CZ3-CD2 4.11Å; W256-F267 HydrophobicContact CZ3-CE2 4.18Å; M261-F267 HydrophobicContact CB-CB 4.35Å; M261-F267 HydrophobicContact CB-CD2 4.08Å; M261-F267 HydrophobicContact CG-CB 3.98Å; D263-F267 VanDerWaalsContact O-CB 3.22Å; D263-F267 WeakPolarHBondContact O-CB 3.45Å; D263-F267 PolarHBondContact O-N 2.89Å; F267-M269 VanDerWaalsContact C-N 3.32Å; F267-M269 PolarHBondContact O-N 2.57Å; F267-I270 PolarHBondContact O-N 3.3Å; F267-I270 VanDerWaalsContact O-N 3.16Å; F267-V271 HydrophobicContact CD1-CG2 4.03Å; F267-V271 HydrophobicContact CD2-CG2 4.39Å; F267-V271 HydrophobicContact CE1-CG2 3.57Å; F267-V271 HydrophobicContact CE2-CG2 3.99Å; F267-V271 HydrophobicContact CG-CG2 4.41Å; F267-V271 HydrophobicContact CZ-CG2 3.54Å; F267-V271 WeakPolarHBondContact O-CG2 3.49Å; F267-V271 PolarHBondContact O-N 2.88Å; F267-A483 HydrophobicContact CE1-CB 3.88Å; F267-A483 HydrophobicContact CZ-CB 3.67Å
268	T	96.9	Very high	96.5	Very high	77 Å²	77	82 Å²	82	47%	0.472	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-40	-178.9	-56.3	0	0	0	0	111.4	R264 S265 V266 V271 A272	R264-T268 VanDerWaalsContact O-CB 3.31Å; R264-T268 WeakPolarHBondContact O-CB 3.05Å; R264-T268 PolarHBondContact O-N 2.85Å; R264-T268 PolarHBondContact O-OG1 2.85Å; S265-T268 PolarHBondContact O-N 3.42Å; V266-T268 PolarHBondContact O-N 3.46Å; T268-V271 PolarHBondContact O-N 2.98Å; T268-A272 VanDerWaalsContact O-CB 3.29Å; T268-A272 WeakPolarHBondContact O-CB 3.35Å; T268-A272 PolarHBondContact O-N 3.5Å
269	M	96.9	Very high	96.5	Very high	103 Å²	103	79.6 Å²	79.6	51%	0.507	38%	0.378	S	S	.	.	H	α-helix	trans	-60.3	-45.4	174.2	-179.9	-166.3	65.4	0	0	111.6	S265 V266 F267 A272 R273	S265-M269 PolarHBondContact O-N 3.03Å; V266-M269 PolarHBondContact O-N 2.97Å; F267-M269 VanDerWaalsContact C-N 3.32Å; F267-M269 PolarHBondContact O-N 2.57Å; M269-A272 PolarHBondContact O-N 3.03Å; M269-R273 WeakPolarHBondContact O-CG 3.33Å; M269-R273 PolarHBondContact O-N 2.75Å; M269-R273 VanDerWaalsContact O-N 3.12Å
270	I	97.3	Very high	96.6	Very high	8 Å²	8	73 Å²	73	4%	0.041	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-48.3	179.4	-69.9	170.7	0	0	0	110.8	I240 W256 M261 V266 F267 A272 R273 L274 E438	I240-I270 HydrophobicContact CD1-CG2 3.98Å; W256-I270 HydrophobicContact CH2-CD1 4.28Å; W256-I270 HydrophobicContact CZ2-CD1 3.99Å; W256-I270 HydrophobicContact CZ2-CG2 4.06Å; M261-I270 HydrophobicContact CE-CD1 3.52Å; V266-I270 HydrophobicContact CG1-CD1 4Å; V266-I270 WeakPolarHBondContact O-CG1 3.36Å; V266-I270 PolarHBondContact O-N 3Å; F267-I270 PolarHBondContact O-N 3.3Å; F267-I270 VanDerWaalsContact O-N 3.16Å; I270-A272 VanDerWaalsContact C-N 3.31Å; I270-A272 PolarHBondContact O-N 3.46Å; I270-R273 WeakPolarHBondContact O-CB 3.24Å; I270-R273 PolarHBondContact O-N 3.16Å; I270-R273 VanDerWaalsContact O-N 3.15Å; I270-L274 HydrophobicContact CG2-CD1 3.81Å; I270-L274 HydrophobicContact CG2-CG 4.5Å; I270-L274 PolarHBondContact O-N 2.92Å; I270-E438 HydrophobicContact CG2-CG 3.63Å
271	V	97.2	Very high	96.7	Very high	12 Å²	12	69.7 Å²	69.7	7%	0.073	34%	0.34	C	S	.	.	H	α-helix	trans	-60.3	-41.4	177.6	172.4	0	0	0	0	111.3	I240 F267 T268 R273 L274 K275 A483	I240-V271 HydrophobicContact CD1-CG2 3.86Å; I240-V271 HydrophobicContact CG1-CG2 4.31Å; F267-V271 HydrophobicContact CD1-CG2 4.03Å; F267-V271 HydrophobicContact CD2-CG2 4.39Å; F267-V271 HydrophobicContact CE1-CG2 3.57Å; F267-V271 HydrophobicContact CE2-CG2 3.99Å; F267-V271 HydrophobicContact CG-CG2 4.41Å; F267-V271 HydrophobicContact CZ-CG2 3.54Å; F267-V271 WeakPolarHBondContact O-CG2 3.49Å; F267-V271 PolarHBondContact O-N 2.88Å; T268-V271 PolarHBondContact O-N 2.98Å; V271-R273 VanDerWaalsContact C-N 3.3Å; V271-R273 PolarHBondContact O-N 3.02Å; V271-L274 PolarHBondContact O-N 2.91Å; V271-K275 HydrophobicContact CG1-CD 4.08Å; V271-K275 HydrophobicContact CG1-CG 4.28Å; V271-K275 WeakPolarHBondContact O-CB 3.43Å; V271-K275 WeakPolarHBondContact O-CG 3.3Å; V271-K275 PolarHBondContact O-N 3.33Å; V271-A483 HydrophobicContact CG1-CB 4.38Å; V271-A483 HydrophobicContact CG2-CB 4.11Å
272	A	96.5	Very high	96.7	Very high	38 Å²	38	68.2 Å²	68.2	31%	0.314	33%	0.333	S	S	.	.	H	α-helix	trans	-63	-36.1	177.7	0	0	0	0	0	112.5	T268 M269 I270 R276	T268-A272 VanDerWaalsContact O-CB 3.29Å; T268-A272 WeakPolarHBondContact O-CB 3.35Å; T268-A272 PolarHBondContact O-N 3.5Å; M269-A272 PolarHBondContact O-N 3.03Å; I270-A272 VanDerWaalsContact C-N 3.31Å; I270-A272 PolarHBondContact O-N 3.46Å; A272-R276 PolarHBondContact O-NH1 2.94Å
273	R	97	Very high	96.7	Very high	59 Å²	59	67.2 Å²	67.2	22%	0.223	33%	0.331	C	S	.	.	H	α-helix	trans	-69.1	-47	173.8	-73.9	171.5	55.8	-166.4	-7.2	111.7	M269 I270 V271 K275 R276 A277 D436 K437	M269-R273 WeakPolarHBondContact O-CG 3.33Å; M269-R273 PolarHBondContact O-N 2.75Å; M269-R273 VanDerWaalsContact O-N 3.12Å; I270-R273 WeakPolarHBondContact O-CB 3.24Å; I270-R273 PolarHBondContact O-N 3.16Å; I270-R273 VanDerWaalsContact O-N 3.15Å; V271-R273 VanDerWaalsContact C-N 3.3Å; V271-R273 PolarHBondContact O-N 3.02Å; R273-K275 VanDerWaalsContact C-N 3.34Å; R273-K275 PolarHBondContact O-N 2.66Å; R273-R276 WeakPolarHBondContact O-CB 3.48Å; R273-R276 PolarHBondContact O-N 2.99Å; R273-R276 VanDerWaalsContact O-N 3.08Å; R273-A277 PolarHBondContact O-N 3.4Å; R273-D436 WeakPolarHBondContact CB-OD2 3.43Å; R273-D436 IonicContact CZ-OD2 3.11Å; R273-D436 IonicContact NE-OD2 2.83Å; R273-D436 PolarHBondContact NE-OD2 3.4Å; R273-D436 IonicContact NH2-OD1 3.51Å; R273-D436 IonicContact NH2-OD2 2.65Å; R273-D436 PolarHBondContact NH2-OD2 3.13Å; R273-K437 VanDerWaalsContact NH2-CB 3.3Å
274	L	97.1	Very high	96.6	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-60.3	-40.7	177.8	-78	166	0	0	0	112.7	I240 I270 V271 R276 A277 A435 E438 F440 V481	I240-L274 HydrophobicContact CD1-CD1 3.78Å; I240-L274 HydrophobicContact CG2-CD1 4.35Å; I270-L274 HydrophobicContact CG2-CD1 3.81Å; I270-L274 HydrophobicContact CG2-CG 4.5Å; I270-L274 PolarHBondContact O-N 2.92Å; V271-L274 PolarHBondContact O-N 2.91Å; L274-R276 PolarHBondContact O-N 3.12Å; L274-A277 WeakPolarHBondContact O-CB 3.09Å; L274-A277 PolarHBondContact O-N 3.48Å; L274-A435 HydrophobicContact CD2-CB 3.63Å; L274-A435 WeakPolarHBondContact CD2-O 3.29Å; L274-E438 HydrophobicContact CD1-CB 4.4Å; L274-E438 HydrophobicContact CD1-CG 4.25Å; L274-E438 HydrophobicContact CD2-CB 4.21Å; L274-E438 HydrophobicContact CG-CG 4.47Å; L274-F440 HydrophobicContact CD1-CE2 4.44Å; L274-F440 HydrophobicContact CD1-CZ 3.77Å; L274-F440 HydrophobicContact CD2-CE2 3.88Å; L274-F440 HydrophobicContact CD2-CZ 4Å; L274-V481 HydrophobicContact CB-CG1 4.04Å; L274-V481 HydrophobicContact CB-CG2 4.11Å; L274-V481 HydrophobicContact CD1-CG1 4.41Å
275	K	95.6	Very high	96.6	Very high	144 Å²	144	60.3 Å²	60.3	63%	0.626	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.4	176.3	-77.1	-177.4	176	-176.3	0	113.9	V271 R273 V481	V271-K275 HydrophobicContact CG1-CD 4.08Å; V271-K275 HydrophobicContact CG1-CG 4.28Å; V271-K275 WeakPolarHBondContact O-CB 3.43Å; V271-K275 WeakPolarHBondContact O-CG 3.3Å; V271-K275 PolarHBondContact O-N 3.33Å; R273-K275 VanDerWaalsContact C-N 3.34Å; R273-K275 PolarHBondContact O-N 2.66Å; K275-V481 HydrophobicContact CG-CB 4.25Å
276	R	96.1	Very high	96.5	Very high	175 Å²	175	58.5 Å²	58.5	66%	0.66	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-20.3	173.4	-68.8	-173.7	-67.6	-101.4	4.1	112.6	A272 R273 L274	A272-R276 PolarHBondContact O-NH1 2.94Å; R273-R276 WeakPolarHBondContact O-CB 3.48Å; R273-R276 PolarHBondContact O-N 2.99Å; R273-R276 VanDerWaalsContact O-N 3.08Å; L274-R276 PolarHBondContact O-N 3.12Å
277	A	95	Very high	96.5	Very high	24 Å²	24	62.4 Å²	62.4	20%	0.198	31%	0.31	C	S	.	.			trans	-69.6	132.9	176.5	0	0	0	0	0	109.9	R273 L274 D436 I478	R273-A277 PolarHBondContact O-N 3.4Å; L274-A277 WeakPolarHBondContact O-CB 3.09Å; L274-A277 PolarHBondContact O-N 3.48Å; A277-D436 HydrophobicContact CB-CB 4.36Å; A277-I478 HydrophobicContact CB-CD1 3.78Å
278	K	95	Very high	96.5	Very high	175 Å²	175	67.2 Å²	67.2	76%	0.761	33%	0.333	S	S	*	.			trans	-99.7	-24.2	177.9	-64.3	-162.2	177.8	-173.2	0	113.3	I478	K278-I478 PolarHBondContact O-N 3.33Å
279	E	95.9	Very high	96.5	Very high	98 Å²	98	68.8 Å²	68.8	46%	0.458	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.1	-176.3	-63.6	-172.2	155.7	0	0	110.5	K475 L476 I478	E279-K475 WeakPolarHBondContact OE2-CD 3.32Å; E279-K475 IonicContact OE2-NZ 2.78Å; E279-K475 PolarHBondContact OE2-NZ 3.36Å; E279-L476 CarbonylContact C-O 3.58Å; E279-L476 VanDerWaalsContact CA-O 3.22Å; E279-L476 WeakPolarHBondContact CA-O 3.32Å; E279-I478 WeakPolarHBondContact O-CD1 3.37Å
280	A	97.1	Very high	96.4	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	148.4	163.9	0	0	0	0	0	109.1	L242 Q434 A435 K475 L476 I478	L242-A280 HydrophobicContact CD2-CB 4.07Å; A280-Q434 CarbonylContact C-O 3.57Å; A280-Q434 WeakPolarHBondContact CA-O 3.44Å; A280-A435 HydrophobicContact CB-CB 4.08Å; A280-K475 WeakPolarHBondContact O-CA 3.17Å; A280-L476 HydrophobicContact CB-CB 4.49Å; A280-L476 PolarHBondContact N-O 3Å; A280-L476 PolarHBondContact O-N 3.45Å; A280-I478 HydrophobicContact CB-CD1 4.29Å; A280-I478 HydrophobicContact CB-CG1 4.09Å
281	V	97.1	Very high	96.2	Very high	51 Å²	51	70.5 Å²	70.5	31%	0.309	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.7	-179.4	-179.8	0	0	0	0	109.5	L283 I433 Q434 E474 K475	V281-L283 PolarHBondContact O-N 2.96Å; V281-I433 CarbonylContact O-C 3.37Å; V281-I433 WeakPolarHBondContact O-CA 3.43Å; V281-Q434 PolarHBondContact N-O 3.26Å; V281-Q434 PolarHBondContact O-N 3.32Å; V281-E474 WeakPolarHBondContact CA-O 3.31Å; V281-K475 HydrophobicContact CG2-CG 4.29Å
282	V	97.4	Very high	96	Very high	2 Å²	2	73.4 Å²	73.4	1%	0.012	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	115.9	172.5	-177.1	0	0	0	0	108.7	V285 I431 I433 L470 K471 G473 E474 L476	V282-V285 HydrophobicContact CG1-CG2 3.82Å; V282-I431 HydrophobicContact CG1-CG2 3.96Å; V282-I433 HydrophobicContact CB-CG2 4.08Å; V282-I433 HydrophobicContact CG2-CG2 3.6Å; V282-L470 HydrophobicContact CG2-CB 4.07Å; V282-L470 HydrophobicContact CG2-CD1 4.31Å; V282-L470 HydrophobicContact CG2-CD2 4.27Å; V282-L470 HydrophobicContact CG2-CG 4.46Å; V282-K471 VanDerWaalsContact CB-O 3.27Å; V282-K471 WeakPolarHBondContact CB-O 3.46Å; V282-K471 WeakPolarHBondContact CG1-O 3.4Å; V282-G473 PolarHBondContact O-N 3.12Å; V282-E474 HydrophobicContact CG2-CB 4.07Å; V282-E474 PolarHBondContact N-O 3.18Å; V282-L476 HydrophobicContact CG2-CD1 4.44Å
283	L	97.3	Very high	95.7	Very high	68 Å²	68	81.3 Å²	81.3	36%	0.356	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-47.9	178.7	-70.2	-176.1	0	0	0	112.1	V281 I432 Q434 Q439	V281-L283 PolarHBondContact O-N 2.96Å; L283-I432 HydrophobicContact CB-CG2 4.47Å; L283-I432 HydrophobicContact CD1-CG2 4.17Å; L283-I432 PolarHBondContact N-O 3.21Å; L283-Q434 HydrophobicContact CD1-CB 3.74Å; L283-Q434 HydrophobicContact CD2-CB 4.06Å; L283-Q434 HydrophobicContact CG-CB 3.72Å; L283-Q439 HydrophobicContact CD1-CG 4.01Å
284	S	96.6	Very high	95.3	Very high	40 Å²	40	80.5 Å²	80.5	28%	0.28	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	146.9	-174.6	65.1	0	0	0	0	111.7	I431 I432 E472	S284-I431 WeakPolarHBondContact O-CA 3.33Å; S284-I432 PolarHBondContact N-O 3.01Å; S284-I432 PolarHBondContact O-N 2.87Å; S284-I432 WeakPolarHBondContact OG-CB 3.02Å; S284-I432 WeakPolarHBondContact OG-CG1 3.47Å; S284-E472 WeakPolarHBondContact CA-OE1 3.16Å
285	V	96.1	Very high	95	Very high	44 Å²	44	81.3 Å²	81.3	27%	0.267	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	104.5	171	-179.6	0	0	0	0	108	V282 I431 E472	V282-V285 HydrophobicContact CG1-CG2 3.82Å; V285-I431 HydrophobicContact CG1-CG1 4.2Å; V285-I431 HydrophobicContact CG2-CG1 4.31Å; V285-I431 HydrophobicContact CG2-CG2 4.23Å; V285-E472 HydrophobicContact CB-CG 4.49Å; V285-E472 HydrophobicContact CG2-CG 4.24Å; V285-E472 PolarHBondContact N-OE1 2.9Å; V285-E472 VanDerWaalsContact N-OE1 3.15Å
286	S	95.4	Very high	94.8	Very high	46 Å²	46	78.7 Å²	78.7	32%	0.322	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.9	-178.9	54.5	0	0	0	0	111.3	E429 E430	S286-E429 CarbonylContact O-C 3.57Å; S286-E429 VanDerWaalsContact O-CA 3.3Å; S286-E429 WeakPolarHBondContact O-CA 3.43Å; S286-E430 PolarHBondContact N-O 3.27Å; S286-E430 PolarHBondContact O-N 3.25Å; S286-E430 PolarHBondContact OG-O 3.37Å
287	K	95.4	Very high	94.7	Very high	134 Å²	134	70.5 Å²	70.5	58%	0.583	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	120.5	170.7	-75.5	178.6	176.5	173.1	0	109	E429	K287-E429 WeakPolarHBondContact CE-OE1 3.49Å; K287-E429 WeakPolarHBondContact CE-OE2 3.06Å; K287-E429 HydrophobicContact CG-CB 4Å; K287-E429 HydrophobicContact CG-CG 3.75Å; K287-E429 IonicContact NZ-OE1 3.3Å; K287-E429 IonicContact NZ-OE2 2.78Å
288	E	96.7	Very high	94.8	Very high	112 Å²	112	69.5 Å²	69.5	52%	0.523	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.8	177.6	-69.6	-172.5	163.1	0	0	111.2	K290 C427 S428	E288-K290 PolarHBondContact O-N 3.35Å; E288-K290 VanDerWaalsContact OE2-CE 3.28Å; E288-K290 WeakPolarHBondContact OE2-CE 3.45Å; E288-K290 IonicContact OE2-NZ 3.61Å; E288-C427 WeakPolarHBondContact O-CA 3.3Å; E288-S428 PolarHBondContact N-O 3.43Å; E288-S428 PolarHBondContact O-N 2.84Å
289	M	96.8	Very high	94.8	Very high	111 Å²	111	61.9 Å²	61.9	55%	0.547	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	113.8	167.3	-75.1	-58.2	-55	0	0	109.4	K425 C427 V448	M289-K425 HydrophobicContact CE-CB 3.92Å; M289-C427 HydrophobicContact SD-CB 3.95Å; M289-V448 HydrophobicContact CE-CB 3.99Å; M289-V448 HydrophobicContact CE-CG1 4.1Å; M289-V448 HydrophobicContact CE-CG2 3.88Å; M289-V448 HydrophobicContact SD-CG2 4.04Å
290	K	96.2	Very high	94.9	Very high	71 Å²	71	57.5 Å²	57.5	31%	0.309	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	161.1	177.3	-68.2	-175.1	-178	165.9	0	111	E288 K425 Y426 S428	E288-K290 PolarHBondContact O-N 3.35Å; E288-K290 VanDerWaalsContact OE2-CE 3.28Å; E288-K290 WeakPolarHBondContact OE2-CE 3.45Å; E288-K290 IonicContact OE2-NZ 3.61Å; K290-K425 WeakPolarHBondContact O-CA 3.23Å; K290-Y426 HydrophobicContact CB-CD1 4.3Å; K290-Y426 HydrophobicContact CB-CD2 4.01Å; K290-Y426 HydrophobicContact CB-CE1 3.78Å; K290-Y426 HydrophobicContact CB-CE2 3.49Å; K290-Y426 VanDerWaalsContact CB-CE2 3.49Å; K290-Y426 HydrophobicContact CB-CG 4.42Å; K290-Y426 HydrophobicContact CD-CE2 4.03Å; K290-Y426 HydrophobicContact CG-CE2 4.31Å; K290-Y426 PolarHBondContact N-O 3.39Å; K290-Y426 PolarHBondContact O-N 3.33Å; K290-S428 PolarHBondContact NZ-OG 3.09Å
291	V	92.9	Very high	94.8	Very high	75 Å²	75	58.3 Å²	58.3	46%	0.455	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	122.9	-169.3	-177.8	0	0	0	0	109.8	D423 C424	V291-D423 HydrophobicContact CG1-CB 3.08Å; V291-D423 WeakPolarHBondContact CG1-OD2 3.3Å; V291-C424 CarbonylContact C-O 3.58Å; V291-C424 WeakPolarHBondContact CA-O 3.44Å
292	K	92.4	Very high	94.7	Very high	73 Å²	73	57.8 Å²	57.8	32%	0.317	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	110.6	169.7	179	177.9	-173.5	174.9	0	108.3	D423 C424 Y426 F452 K459 I461	K292-D423 CarbonylContact O-C 3.42Å; K292-D423 WeakPolarHBondContact O-CA 3.27Å; K292-D423 WeakPolarHBondContact O-CB 3.23Å; K292-C424 HydrophobicContact CB-CB 4.15Å; K292-C424 PolarHBondContact N-O 3.02Å; K292-C424 PolarHBondContact O-N 3.34Å; K292-Y426 HydrophobicContact CB-CE1 4.17Å; K292-F452 HydrophobicContact CD-CZ 4.48Å; K292-F452 HydrophobicContact CG-CE1 4.25Å; K292-F452 HydrophobicContact CG-CZ 4.4Å; K292-F452 WeakPolarHBondContact O-CE1 3.39Å; K292-K459 PolarHBondContact NZ-O 2.96Å; K292-I461 HydrophobicContact CB-CD1 4.24Å; K292-I461 HydrophobicContact CD-CD1 4.12Å; K292-I461 HydrophobicContact CD-CG1 4.28Å
293	R	90	Very high	94.8	Very high	205 Å²	205	57.7 Å²	57.7	77%	0.774	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-62.7	140	-174.8	-65.4	-169	-178.2	-155.5	1.2	112.1	D423 F452	R293-D423 VanDerWaalsContact CA-OD1 3.28Å; R293-D423 WeakPolarHBondContact CA-OD1 3.1Å; R293-F452 WeakPolarHBondContact O-CE1 3.17Å
294	K	88.8	Confident	94.8	Very high	42 Å²	42	54.6 Å²	54.6	18%	0.183	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-62.5	156.1	171.4	77	-174.2	-170.2	164.2	0	110.9	T416 S421 D423 F452	K294-T416 PolarHBondContact NZ-O 3.2Å; K294-S421 WeakPolarHBondContact CD-O 3.19Å; K294-D423 PolarHBondContact N-OD1 3.45Å; K294-F452 HydrophobicContact CB-CB 4.06Å; K294-F452 HydrophobicContact CB-CD1 3.84Å; K294-F452 HydrophobicContact CB-CE1 4.5Å; K294-F452 HydrophobicContact CB-CG 3.97Å
295	P	90.7	Very high	94.8	Very high	18 Å²	18	55.6 Å²	55.6	12%	0.117	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-65.5	155	177.3	28.9	-35.3	0	0	0	111.7	A415 T416 F452 L456	P295-A415 HydrophobicContact CG-CB 4.07Å; P295-T416 HydrophobicContact CG-CG2 4.2Å; P295-F452 VanDerWaalsContact CD-CD2 3.49Å; P295-F452 HydrophobicContact CG-CD2 4.4Å; P295-L456 HydrophobicContact CG-CD1 4.15Å
296	I	92	Very high	94.8	Very high	89 Å²	89	54.1 Å²	54.1	46%	0.456	26%	0.255	S	S	.	.			trans	-78	174.2	164	62.5	179.4	0	0	0	110.3	T339 H412 T416	I296-T339 HydrophobicContact CD1-CG2 3.83Å; I296-T339 HydrophobicContact CG1-CG2 4.35Å; I296-H412 PolarHBondContact O-NE2 2.65Å; I296-T416 WeakPolarHBondContact O-CG2 3.42Å
297	A	94	Very high	94.9	Very high	3 Å²	3	51.9 Å²	51.9	3%	0.025	24%	0.239	C	C	.	.			trans	-60.7	149.7	178	0	0	0	0	0	111.4	T339 Y341 P386	A297-T339 WeakPolarHBondContact CB-O 3.09Å; A297-T339 PolarHBondContact N-O 2.82Å; A297-T339 WeakPolarHBondContact O-CG2 3.3Å; A297-Y341 HydrophobicContact CB-CD2 3.69Å; A297-Y341 HydrophobicContact CB-CE2 3.22Å; A297-P386 HydrophobicContact CB-CB 3.46Å; A297-P386 VanDerWaalsContact CB-CB 3.46Å; A297-P386 HydrophobicContact CB-CG 3.38Å
298	L	96.2	Very high	94.9	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	21%	0.212	C	C	.	.			trans	-76.7	125.9	-171.7	-170.3	62.9	0	0	0	111	E302 M303 P386 I387 Y408 I409	L298-E302 HydrophobicContact CD1-CB 3.98Å; L298-E302 HydrophobicContact CD1-CG 3.89Å; L298-M303 HydrophobicContact CD1-CB 4.13Å; L298-M303 HydrophobicContact CD2-CB 4.18Å; L298-M303 HydrophobicContact CD2-CG 4.44Å; L298-M303 HydrophobicContact CG-CB 4.15Å; L298-P386 CarbonylContact O-C 3.55Å; L298-P386 WeakPolarHBondContact O-CA 3.37Å; L298-P386 WeakPolarHBondContact O-CB 3.43Å; L298-I387 HydrophobicContact CB-CB 4.29Å; L298-I387 HydrophobicContact CD2-CB 4.14Å; L298-I387 HydrophobicContact CD2-CG2 4.32Å; L298-I387 HydrophobicContact CG-CB 4.21Å; L298-I387 PolarHBondContact O-N 2.99Å; L298-Y408 HydrophobicContact CD1-CE1 4.21Å; L298-Y408 VanDerWaalsContact CD1-OH 3.31Å; L298-Y408 WeakPolarHBondContact CD1-OH 3.44Å; L298-Y408 HydrophobicContact CD2-CE1 4.11Å; L298-I409 HydrophobicContact CD2-CG1 3.92Å
299	N	96.1	Very high	94.7	Very high	16 Å²	16	42.6 Å²	42.6	9%	0.086	21%	0.207	C	C	.	.			trans	-107.2	178.4	166.5	73	-9.9	0	0	0	110.7	V301 E302 M303 T336 T339	N299-V301 PolarHBondContact O-N 3.46Å; N299-E302 VanDerWaalsContact OD1-CB 3.3Å; N299-E302 WeakPolarHBondContact OD1-CB 3.12Å; N299-E302 PolarHBondContact OD1-N 3.09Å; N299-M303 WeakPolarHBondContact O-CB 3.48Å; N299-M303 PolarHBondContact O-N 3.08Å; N299-T336 WeakPolarHBondContact CB-O 3.33Å; N299-T339 HydrophobicContact CB-CG2 3.65Å
300	T	96.8	Very high	94.5	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-44.7	-179.3	-57.6	0	0	0	0	112.5	E302 M303 L304 M319 P334 R335 T336 A512	T300-E302 PolarHBondContact O-N 3.27Å; T300-M303 WeakPolarHBondContact O-CB 3.37Å; T300-M303 PolarHBondContact O-N 2.91Å; T300-L304 HydrophobicContact CG2-CD1 3.8Å; T300-L304 HydrophobicContact CG2-CG 4.32Å; T300-L304 WeakPolarHBondContact O-CG 3.39Å; T300-L304 PolarHBondContact O-N 3.05Å; T300-M319 HydrophobicContact CG2-SD 3.77Å; T300-P334 PolarHBondContact OG1-O 3.03Å; T300-R335 VanDerWaalsContact OG1-CA 3.25Å; T300-R335 WeakPolarHBondContact OG1-CA 3.42Å; T300-T336 PolarHBondContact N-O 3.27Å; T300-T336 PolarHBondContact OG1-N 3.35Å; T300-T336 PolarHBondContact OG1-O 3.38Å; T300-T336 VanDerWaalsContact OG1-O 3.08Å; T300-A512 HydrophobicContact CG2-CB 4.11Å
301	V	95.9	Very high	94.3	Very high	16 Å²	16	38.7 Å²	38.7	10%	0.097	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-50.9	-177.6	177.3	0	0	0	0	110.7	N299 M303 L304 R305 I500 E504 I514	N299-V301 PolarHBondContact O-N 3.46Å; V301-M303 VanDerWaalsContact C-N 3.32Å; V301-M303 PolarHBondContact O-N 3.09Å; V301-L304 PolarHBondContact O-N 2.91Å; V301-R305 WeakPolarHBondContact O-CG 3.25Å; V301-R305 PolarHBondContact O-N 2.89Å; V301-I500 HydrophobicContact CB-CG2 4.46Å; V301-I500 HydrophobicContact CG1-CG2 3.47Å; V301-I500 VanDerWaalsContact CG1-CG2 3.47Å; V301-E504 HydrophobicContact CG1-CB 4.41Å; V301-E504 HydrophobicContact CG1-CG 4.5Å; V301-E504 WeakPolarHBondContact CG1-OE2 3.38Å; V301-E504 HydrophobicContact CG2-CG 4.44Å; V301-E504 WeakPolarHBondContact CG2-OE1 3.44Å; V301-I514 HydrophobicContact CG2-CD1 4.42Å
302	E	96	Very high	94.4	Very high	41 Å²	41	36.9 Å²	36.9	19%	0.192	19%	0.192	C	C	.	.	H	α-helix	trans	-64.7	-38.2	-179.7	-176.6	65.8	175.3	0	0	111.8	L298 N299 T300 L304 R305 V306	L298-E302 HydrophobicContact CD1-CB 3.98Å; L298-E302 HydrophobicContact CD1-CG 3.89Å; N299-E302 VanDerWaalsContact OD1-CB 3.3Å; N299-E302 WeakPolarHBondContact OD1-CB 3.12Å; N299-E302 PolarHBondContact OD1-N 3.09Å; T300-E302 PolarHBondContact O-N 3.27Å; E302-L304 VanDerWaalsContact C-N 3.32Å; E302-L304 PolarHBondContact O-N 3.44Å; E302-R305 PolarHBondContact O-N 2.87Å; E302-R305 IonicContact OE2-CZ 3.94Å; E302-R305 IonicContact OE2-NE 3.69Å; E302-R305 PolarHBondContact OE2-NE 2.69Å; E302-R305 IonicContact OE2-NH2 3.48Å; E302-R305 PolarHBondContact OE2-NH2 3.44Å; E302-V306 HydrophobicContact CG-CG2 4.5Å; E302-V306 WeakPolarHBondContact O-CG2 3.33Å; E302-V306 PolarHBondContact O-N 3.2Å
303	M	98.2	Very high	94.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-47	173.5	-178.9	-172.3	67	0	0	111.3	L298 N299 T300 V301 A307 M319 A322 P334 I387 L405 I409	L298-M303 HydrophobicContact CD1-CB 4.13Å; L298-M303 HydrophobicContact CD2-CB 4.18Å; L298-M303 HydrophobicContact CD2-CG 4.44Å; L298-M303 HydrophobicContact CG-CB 4.15Å; N299-M303 WeakPolarHBondContact O-CB 3.48Å; N299-M303 PolarHBondContact O-N 3.08Å; T300-M303 WeakPolarHBondContact O-CB 3.37Å; T300-M303 PolarHBondContact O-N 2.91Å; V301-M303 VanDerWaalsContact C-N 3.32Å; V301-M303 PolarHBondContact O-N 3.09Å; M303-A307 WeakPolarHBondContact O-CB 3.42Å; M303-A307 PolarHBondContact O-N 3.41Å; M303-M319 HydrophobicContact CE-SD 3.63Å; M303-A322 HydrophobicContact CE-CB 3.85Å; M303-A322 HydrophobicContact SD-CB 3.93Å; M303-P334 HydrophobicContact CE-CB 4.36Å; M303-I387 HydrophobicContact CB-CD1 4.12Å; M303-I387 HydrophobicContact CE-CD1 4.04Å; M303-I387 HydrophobicContact SD-CD1 3.74Å; M303-I387 HydrophobicContact SD-CG2 4.43Å; M303-L405 HydrophobicContact CG-CD1 3.97Å; M303-L405 HydrophobicContact SD-CD1 4.38Å; M303-L405 HydrophobicContact SD-CD2 4.33Å; M303-I409 HydrophobicContact SD-CD1 4.25Å
304	L	98	Very high	94.8	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-68	-40.4	-179.1	-64.6	168.1	0	0	0	112.4	T300 V301 E302 A307 S308 P315 A318 M319 I500 P515	T300-L304 HydrophobicContact CG2-CD1 3.8Å; T300-L304 HydrophobicContact CG2-CG 4.32Å; T300-L304 WeakPolarHBondContact O-CG 3.39Å; T300-L304 PolarHBondContact O-N 3.05Å; V301-L304 PolarHBondContact O-N 2.91Å; E302-L304 VanDerWaalsContact C-N 3.32Å; E302-L304 PolarHBondContact O-N 3.44Å; L304-A307 PolarHBondContact O-N 3.33Å; L304-S308 PolarHBondContact O-N 3.27Å; L304-P315 HydrophobicContact CD2-CB 4.3Å; L304-P315 VanDerWaalsContact CD2-O 3.32Å; L304-P315 WeakPolarHBondContact CD2-O 3.46Å; L304-A318 HydrophobicContact CD2-CB 3.88Å; L304-M319 HydrophobicContact CD1-SD 4.42Å; L304-M319 HydrophobicContact CD2-CG 3.79Å; L304-M319 HydrophobicContact CD2-SD 3.89Å; L304-M319 HydrophobicContact CG-SD 4.4Å; L304-I500 HydrophobicContact CB-CD1 3.69Å; L304-P515 HydrophobicContact CD1-CG 3.52Å; L304-P515 HydrophobicContact CD2-CG 4.21Å
305	R	96.6	Very high	95.2	Very high	61 Å²	61	22.7 Å²	22.7	23%	0.23	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-50	176.6	-72.1	-166.6	-62.4	-148.4	-11.9	111.5	V301 E302 S308 A309 A497 I500 T501	V301-R305 WeakPolarHBondContact O-CG 3.25Å; V301-R305 PolarHBondContact O-N 2.89Å; E302-R305 PolarHBondContact O-N 2.87Å; E302-R305 IonicContact OE2-CZ 3.94Å; E302-R305 IonicContact OE2-NE 3.69Å; E302-R305 PolarHBondContact OE2-NE 2.69Å; E302-R305 IonicContact OE2-NH2 3.48Å; E302-R305 PolarHBondContact OE2-NH2 3.44Å; R305-S308 PolarHBondContact O-N 2.84Å; R305-A309 WeakPolarHBondContact O-CB 3.31Å; R305-A309 PolarHBondContact O-N 2.82Å; R305-A497 HydrophobicContact CB-CB 4.06Å; R305-A497 HydrophobicContact CG-CB 4.2Å; R305-I500 HydrophobicContact CG-CB 4.07Å; R305-I500 HydrophobicContact CG-CD1 4.34Å; R305-I500 HydrophobicContact CG-CG2 3.75Å; R305-T501 WeakPolarHBondContact CD-OG1 3.45Å; R305-T501 PolarHBondContact NH1-OG1 2.83Å; R305-T501 VanDerWaalsContact NH1-OG1 3.09Å
306	V	95.8	Very high	95.5	Very high	13 Å²	13	24.4 Å²	24.4	8%	0.079	15%	0.146	C	C	.	.	H	α-helix	trans	-70.1	-37.5	-179.4	178.9	0	0	0	0	111.2	E302 S308 A309 C310 L311 Y408 W458	E302-V306 HydrophobicContact CG-CG2 4.5Å; E302-V306 WeakPolarHBondContact O-CG2 3.33Å; E302-V306 PolarHBondContact O-N 3.2Å; V306-S308 VanDerWaalsContact C-N 3.3Å; V306-S308 PolarHBondContact O-N 2.96Å; V306-A309 PolarHBondContact O-N 3.34Å; V306-C310 HydrophobicContact CG1-CB 3.97Å; V306-C310 WeakPolarHBondContact O-CA 3.27Å; V306-C310 WeakPolarHBondContact O-CB 3.31Å; V306-C310 PolarHBondContact O-N 2.89Å; V306-L311 PolarHBondContact O-N 2.74Å; V306-Y408 HydrophobicContact CB-CE1 3.87Å; V306-Y408 HydrophobicContact CB-CE2 4.19Å; V306-Y408 HydrophobicContact CG1-CD1 4.26Å; V306-Y408 HydrophobicContact CG1-CD2 3.92Å; V306-Y408 HydrophobicContact CG1-CE1 3.88Å; V306-Y408 HydrophobicContact CG1-CE2 3.54Å; V306-Y408 HydrophobicContact CG1-CG 4.27Å; V306-Y408 HydrophobicContact CG2-CE2 4.45Å; V306-Y408 WeakPolarHBondContact CG2-OH 3.42Å; V306-W458 HydrophobicContact CG1-CZ2 4.24Å
307	A	96.5	Very high	95.7	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59	-41.9	175.2	0	0	0	0	0	111.9	M303 L304 L311 G312 L313 A318 L405	M303-A307 WeakPolarHBondContact O-CB 3.42Å; M303-A307 PolarHBondContact O-N 3.41Å; L304-A307 PolarHBondContact O-N 3.33Å; A307-L311 HydrophobicContact CB-CD1 4.48Å; A307-L311 CarbonylContact O-C 3.32Å; A307-L311 WeakPolarHBondContact O-CA 3.28Å; A307-L311 VanDerWaalsContact O-CB 3.28Å; A307-L311 WeakPolarHBondContact O-CB 3.22Å; A307-L311 PolarHBondContact O-N 3.38Å; A307-L311 VanDerWaalsContact O-N 3.17Å; A307-G312 PolarHBondContact O-N 2.91Å; A307-G312 VanDerWaalsContact O-N 3.08Å; A307-L313 CarbonylContact C-O 3.46Å; A307-L313 HydrophobicContact CB-CB 4.21Å; A307-L313 HydrophobicContact CB-CD1 4.5Å; A307-L313 PolarHBondContact O-N 3.24Å; A307-A318 HydrophobicContact CB-CB 3.61Å; A307-L405 HydrophobicContact CB-CD1 4.19Å
308	S	95.9	Very high	95.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.2	-58.4	173.5	174.7	0	0	0	0	112.1	L304 R305 V306 C310 G312 L313 E496	L304-S308 PolarHBondContact O-N 3.27Å; R305-S308 PolarHBondContact O-N 2.84Å; V306-S308 VanDerWaalsContact C-N 3.3Å; V306-S308 PolarHBondContact O-N 2.96Å; S308-C310 PolarHBondContact O-N 3.46Å; S308-G312 PolarHBondContact O-N 3.38Å; S308-L313 WeakPolarHBondContact CA-O 3.47Å; S308-L313 PolarHBondContact N-O 3.41Å; S308-E496 WeakPolarHBondContact OG-CB 3.44Å; S308-E496 PolarHBondContact OG-OE2 2.81Å
309	A	92.6	Very high	96	Very high	51 Å²	51	21.9 Å²	21.9	42%	0.421	14%	0.139	S	C	.	.	H	α-helix	trans	-69.8	-33.1	-168.7	0	0	0	0	0	113.5	R305 V306 A497	R305-A309 WeakPolarHBondContact O-CB 3.31Å; R305-A309 PolarHBondContact O-N 2.82Å; V306-A309 PolarHBondContact O-N 3.34Å; A309-A497 HydrophobicContact CB-CB 4.26Å
310	C	92.3	Very high	96	Very high	65 Å²	65	23.7 Å²	23.7	44%	0.439	15%	0.15	S	C	.	.	H	α-helix	trans	-112.4	-30.5	-172.8	-57.5	0	0	0	0	113.5	V306 S308	V306-C310 HydrophobicContact CG1-CB 3.97Å; V306-C310 WeakPolarHBondContact O-CA 3.27Å; V306-C310 WeakPolarHBondContact O-CB 3.31Å; V306-C310 PolarHBondContact O-N 2.89Å; S308-C310 PolarHBondContact O-N 3.46Å
311	L	93.5	Very high	96	Very high	34 Å²	34	23.5 Å²	23.5	18%	0.178	15%	0.149	C	C	.	.	H	α-helix	trans	-104.2	-7.4	-176.1	-48.3	-179.4	0	0	0	113.5	V306 A307 L313 L405 Y408	V306-L311 PolarHBondContact O-N 2.74Å; A307-L311 HydrophobicContact CB-CD1 4.48Å; A307-L311 CarbonylContact O-C 3.32Å; A307-L311 WeakPolarHBondContact O-CA 3.28Å; A307-L311 VanDerWaalsContact O-CB 3.28Å; A307-L311 WeakPolarHBondContact O-CB 3.22Å; A307-L311 PolarHBondContact O-N 3.38Å; A307-L311 VanDerWaalsContact O-N 3.17Å; L311-L313 HydrophobicContact CB-CD1 4.07Å; L311-L313 HydrophobicContact CB-CG 4Å; L311-L313 HydrophobicContact CD1-CD1 4.29Å; L311-L313 PolarHBondContact O-N 2.87Å; L311-L405 HydrophobicContact CD1-CD1 4.16Å; L311-Y408 HydrophobicContact CD1-CG 4.48Å
312	G	93.7	Very high	96.1	Very high	37 Å²	37	22.7 Å²	22.7	38%	0.381	15%	0.145	S	C	.	.			trans	70	17.5	-178.4	0	0	0	0	0	114	A307 S308 R534	A307-G312 PolarHBondContact O-N 2.91Å; A307-G312 VanDerWaalsContact O-N 3.08Å; S308-G312 PolarHBondContact O-N 3.38Å; G312-R534 PolarHBondContact O-NH1 3.35Å; G312-R534 VanDerWaalsContact O-NH1 3.13Å
313	L	95.3	Very high	96.1	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.042	14%	0.143	C	C	.	.			trans	-94.9	123.7	-177.7	-60.3	177.1	0	0	0	110.6	A307 S308 L311 A318 N401 L405	A307-L313 CarbonylContact C-O 3.46Å; A307-L313 HydrophobicContact CB-CB 4.21Å; A307-L313 HydrophobicContact CB-CD1 4.5Å; A307-L313 PolarHBondContact O-N 3.24Å; S308-L313 WeakPolarHBondContact CA-O 3.47Å; S308-L313 PolarHBondContact N-O 3.41Å; L311-L313 HydrophobicContact CB-CD1 4.07Å; L311-L313 HydrophobicContact CB-CG 4Å; L311-L313 HydrophobicContact CD1-CD1 4.29Å; L311-L313 PolarHBondContact O-N 2.87Å; L313-A318 HydrophobicContact CB-CB 4.25Å; L313-N401 HydrophobicContact CD1-CB 4.34Å; L313-N401 HydrophobicContact CD2-CB 3.81Å; L313-N401 WeakPolarHBondContact CD2-OD1 3.21Å; L313-L405 HydrophobicContact CD1-CB 4.45Å
314	G	95.8	Very high	95.9	Very high	11 Å²	11	26.3 Å²	26.3	11%	0.113	16%	0.161	C	C	.	.			trans	-63.3	152.3	171.7	0	0	0	0	0	111.8	Q316 A317 A318 E496 R534	G314-Q316 VanDerWaalsContact C-N 3.31Å; G314-Q316 PolarHBondContact O-N 3.12Å; G314-A317 WeakPolarHBondContact O-CA 3.19Å; G314-A317 WeakPolarHBondContact O-CB 3.2Å; G314-A317 PolarHBondContact O-N 2.93Å; G314-A318 PolarHBondContact O-N 3.28Å; G314-E496 WeakPolarHBondContact CA-OE2 3.33Å; G314-R534 VanDerWaalsContact CA-NH2 3.26Å
315	P	97	Very high	95.8	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.019	16%	0.161	C	C	.	.	H	α-helix	trans	-53.2	-44.2	-172.8	-29.6	34.6	0	0	0	113.7	L304 A318 M319 E496 I500 P515 I518	L304-P315 HydrophobicContact CD2-CB 4.3Å; L304-P315 VanDerWaalsContact CD2-O 3.32Å; L304-P315 WeakPolarHBondContact CD2-O 3.46Å; P315-A318 PolarHBondContact O-N 3.46Å; P315-M319 PolarHBondContact O-N 2.81Å; P315-E496 VanDerWaalsContact CD-OE2 3.31Å; P315-E496 WeakPolarHBondContact CD-OE2 3.36Å; P315-E496 HydrophobicContact CG-CB 4.26Å; P315-I500 HydrophobicContact CG-CD1 3.97Å; P315-P515 HydrophobicContact CB-CB 3.95Å; P315-P515 HydrophobicContact CB-CG 4.38Å; P315-I518 HydrophobicContact CG-CD1 4.19Å; P315-I518 HydrophobicContact CG-CG2 4.26Å
316	Q	96.6	Very high	95.7	Very high	55 Å²	55	23.4 Å²	23.4	26%	0.257	15%	0.15	S	C	.	.	H	α-helix	trans	-66	-39.2	177.8	-173.5	63.4	44.2	0	0	112.4	G314 A318 M319 T320 N519	G314-Q316 VanDerWaalsContact C-N 3.31Å; G314-Q316 PolarHBondContact O-N 3.12Å; Q316-A318 VanDerWaalsContact C-N 3.35Å; Q316-M319 PolarHBondContact O-N 2.9Å; Q316-T320 PolarHBondContact O-N 3.1Å; Q316-T320 PolarHBondContact O-OG1 2.94Å; Q316-N519 HydrophobicContact CB-CB 3.85Å; Q316-N519 HydrophobicContact CG-CB 4.31Å
317	A	96.9	Very high	95.4	Very high	39 Å²	39	23.3 Å²	23.3	32%	0.322	15%	0.15	S	C	.	.	H	α-helix	trans	-67.9	-37.9	177.5	0	0	0	0	0	111.4	G314 A321	G314-A317 WeakPolarHBondContact O-CA 3.19Å; G314-A317 WeakPolarHBondContact O-CB 3.2Å; G314-A317 PolarHBondContact O-N 2.93Å; A317-A321 WeakPolarHBondContact O-CB 3.32Å; A317-A321 PolarHBondContact O-N 2.7Å
318	A	98	Very high	95.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.3	-45.6	174.1	0	0	0	0	0	111.6	L304 A307 L313 G314 P315 Q316 A321 A322 L405	L304-A318 HydrophobicContact CD2-CB 3.88Å; A307-A318 HydrophobicContact CB-CB 3.61Å; L313-A318 HydrophobicContact CB-CB 4.25Å; G314-A318 PolarHBondContact O-N 3.28Å; P315-A318 PolarHBondContact O-N 3.46Å; Q316-A318 VanDerWaalsContact C-N 3.35Å; A318-A321 PolarHBondContact O-N 2.93Å; A318-A322 WeakPolarHBondContact O-CB 3.31Å; A318-A322 PolarHBondContact O-N 3.49Å; A318-L405 WeakPolarHBondContact O-CD2 3.3Å
319	M	97.6	Very high	94.8	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-45.2	174.6	-80.7	-45.7	-62.4	0	0	112.9	T300 M303 L304 P315 Q316 A321 A322 E323 P334 R335 P515	T300-M319 HydrophobicContact CG2-SD 3.77Å; M303-M319 HydrophobicContact CE-SD 3.63Å; L304-M319 HydrophobicContact CD1-SD 4.42Å; L304-M319 HydrophobicContact CD2-CG 3.79Å; L304-M319 HydrophobicContact CD2-SD 3.89Å; L304-M319 HydrophobicContact CG-SD 4.4Å; P315-M319 PolarHBondContact O-N 2.81Å; Q316-M319 PolarHBondContact O-N 2.9Å; M319-A321 VanDerWaalsContact C-N 3.3Å; M319-A321 PolarHBondContact O-N 3.36Å; M319-A322 PolarHBondContact O-N 3.05Å; M319-E323 WeakPolarHBondContact O-CG 3.24Å; M319-E323 PolarHBondContact O-N 2.98Å; M319-P334 HydrophobicContact CE-CB 4.44Å; M319-P334 HydrophobicContact CE-CG 4.31Å; M319-R335 HydrophobicContact CE-CG 3.47Å; M319-R335 VanDerWaalsContact CE-CG 3.47Å; M319-P515 HydrophobicContact CG-CB 3.93Å; M319-P515 HydrophobicContact CG-CG 3.48Å; M319-P515 VanDerWaalsContact CG-CG 3.48Å
320	T	96.7	Very high	94.9	Very high	54 Å²	54	26.4 Å²	26.4	33%	0.331	16%	0.157	S	C	.	.	H	α-helix	trans	-59.6	-43.5	177.1	-60.1	0	0	0	0	111.3	Q316 E323 H324	Q316-T320 PolarHBondContact O-N 3.1Å; Q316-T320 PolarHBondContact O-OG1 2.94Å; T320-E323 PolarHBondContact O-N 3.22Å; T320-H324 VanDerWaalsContact O-CG 3.32Å; T320-H324 PolarHBondContact O-N 3.24Å
321	A	97.8	Very high	95.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-63.4	-42	176.2	0	0	0	0	0	111.8	A317 A318 M319 H324 L325 N401 E402 L405	A317-A321 WeakPolarHBondContact O-CB 3.32Å; A317-A321 PolarHBondContact O-N 2.7Å; A318-A321 PolarHBondContact O-N 2.93Å; M319-A321 VanDerWaalsContact C-N 3.3Å; M319-A321 PolarHBondContact O-N 3.36Å; A321-H324 WeakPolarHBondContact O-CB 3.23Å; A321-H324 PolarHBondContact O-N 3.35Å; A321-L325 VanDerWaalsContact O-CG 3.31Å; A321-L325 WeakPolarHBondContact O-CG 3.3Å; A321-L325 PolarHBondContact O-N 2.82Å; A321-N401 HydrophobicContact CB-CB 4.12Å; A321-E402 HydrophobicContact CB-CG 4.04Å; A321-L405 HydrophobicContact CB-CD2 3.97Å
322	A	97.9	Very high	95.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-43.5	176.4	0	0	0	0	0	111.8	M303 A318 M319 H324 L325 Y326 I331 P334 L405	M303-A322 HydrophobicContact CE-CB 3.85Å; M303-A322 HydrophobicContact SD-CB 3.93Å; A318-A322 WeakPolarHBondContact O-CB 3.31Å; A318-A322 PolarHBondContact O-N 3.49Å; M319-A322 PolarHBondContact O-N 3.05Å; A322-H324 VanDerWaalsContact C-N 3.33Å; A322-H324 PolarHBondContact O-N 3.27Å; A322-L325 PolarHBondContact O-N 3.31Å; A322-Y326 WeakPolarHBondContact O-CB 3.23Å; A322-Y326 PolarHBondContact O-N 3.39Å; A322-I331 HydrophobicContact CB-CD1 4.21Å; A322-I331 WeakPolarHBondContact O-CD1 3.15Å; A322-P334 HydrophobicContact CB-CB 3.53Å; A322-P334 HydrophobicContact CB-CG 3.9Å; A322-L405 HydrophobicContact CB-CD2 3.85Å
323	E	94.7	Very high	95.3	Very high	34 Å²	34	20.3 Å²	20.3	16%	0.159	11%	0.111	C	C	.	.	H	α-helix	trans	-61.6	-40.4	175.5	-76.2	-179.4	-159.4	0	0	112.1	K10 M319 T320 Y326 T327 P334 R335	K10-E323 IonicContact NZ-OE2 3.55Å; K10-E323 PolarHBondContact NZ-OE2 3.36Å; M319-E323 WeakPolarHBondContact O-CG 3.24Å; M319-E323 PolarHBondContact O-N 2.98Å; T320-E323 PolarHBondContact O-N 3.22Å; E323-Y326 PolarHBondContact O-N 3.4Å; E323-T327 WeakPolarHBondContact O-CB 3.39Å; E323-T327 PolarHBondContact O-N 2.83Å; E323-T327 PolarHBondContact O-OG1 3.33Å; E323-P334 HydrophobicContact CG-CG 4.41Å; E323-R335 IonicContact OE1-CZ 2.81Å; E323-R335 IonicContact OE1-NE 3.82Å; E323-R335 PolarHBondContact OE1-NE 3.03Å; E323-R335 IonicContact OE1-NH2 2.82Å; E323-R335 PolarHBondContact OE1-NH2 3.07Å
324	H	94.4	Very high	95.4	Very high	83 Å²	83	20 Å²	20	38%	0.384	11%	0.109	S	C	.	.	H	α-helix	trans	-61.1	-47	173.4	-73.4	169.9	0	0	0	111.7	T320 A321 A322 Y326 T327 Q328 E402	T320-H324 VanDerWaalsContact O-CG 3.32Å; T320-H324 PolarHBondContact O-N 3.24Å; A321-H324 WeakPolarHBondContact O-CB 3.23Å; A321-H324 PolarHBondContact O-N 3.35Å; A322-H324 VanDerWaalsContact C-N 3.33Å; A322-H324 PolarHBondContact O-N 3.27Å; H324-Y326 VanDerWaalsContact C-N 3.34Å; H324-Y326 PolarHBondContact O-N 3.36Å; H324-T327 PolarHBondContact O-N 3.4Å; H324-Q328 WeakPolarHBondContact O-CG 3.37Å; H324-Q328 PolarHBondContact O-N 2.82Å; H324-Q328 VanDerWaalsContact O-N 3.15Å; H324-E402 HydrophobicContact CB-CG 4.11Å; H324-E402 IonicContact CE1-OE1 2.82Å; H324-E402 IonicContact CG-OE1 3.59Å; H324-E402 IonicContact ND1-OE1 3.39Å; H324-E402 PolarHBondContact ND1-OE1 2.87Å
325	L	96.2	Very high	95.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.1	-44	176.8	-69.8	169.4	0	0	0	111.7	A321 A322 Q328 G329 Y330 I331 Y396 E402 L405 Y406	A321-L325 VanDerWaalsContact O-CG 3.31Å; A321-L325 WeakPolarHBondContact O-CG 3.3Å; A321-L325 PolarHBondContact O-N 2.82Å; A322-L325 PolarHBondContact O-N 3.31Å; L325-Q328 PolarHBondContact O-N 2.88Å; L325-G329 PolarHBondContact O-N 3.34Å; L325-Y330 HydrophobicContact CD2-CD2 3.85Å; L325-Y330 HydrophobicContact CD2-CG 4.32Å; L325-Y330 WeakPolarHBondContact O-CB 3.42Å; L325-Y330 PolarHBondContact O-N 3.1Å; L325-I331 HydrophobicContact CB-CD1 3.86Å; L325-I331 HydrophobicContact CB-CG1 3.78Å; L325-I331 HydrophobicContact CB-CG2 4.38Å; L325-I331 HydrophobicContact CD1-CD1 4.44Å; L325-Y396 HydrophobicContact CD2-CD2 3.9Å; L325-Y396 HydrophobicContact CD2-CE2 3.9Å; L325-E402 HydrophobicContact CD2-CB 4.14Å; L325-E402 HydrophobicContact CG-CB 4.31Å; L325-L405 HydrophobicContact CD1-CB 4.39Å; L325-L405 HydrophobicContact CD1-CD2 4.45Å; L325-L405 HydrophobicContact CD1-CG 4.46Å; L325-Y406 HydrophobicContact CD1-CD2 4.44Å; L325-Y406 HydrophobicContact CD2-CD2 4.18Å; L325-Y406 HydrophobicContact CD2-CG 4.25Å
326	Y	94.9	Very high	95.2	Very high	2 Å²	2	22 Å²	22	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-61.2	-47.2	176	162.8	-104.6	0	0	0	112	L13 D116 F149 L152 A322 E323 H324 Q328 G329 Y333	L13-Y326 HydrophobicContact CD2-CE1 3.87Å; D116-Y326 PolarHBondContact OD1-OH 3.35Å; F149-Y326 WeakPolarHBondContact CE2-OH 3.28Å; L152-Y326 VanDerWaalsContact CD1-O 3.32Å; L152-Y326 WeakPolarHBondContact CD1-O 3.47Å; L152-Y326 HydrophobicContact CG-CE2 4.48Å; A322-Y326 WeakPolarHBondContact O-CB 3.23Å; A322-Y326 PolarHBondContact O-N 3.39Å; E323-Y326 PolarHBondContact O-N 3.4Å; H324-Y326 VanDerWaalsContact C-N 3.34Å; H324-Y326 PolarHBondContact O-N 3.36Å; Y326-Q328 PolarHBondContact O-N 3.4Å; Y326-G329 WeakPolarHBondContact O-CA 3.27Å; Y326-G329 PolarHBondContact O-N 2.93Å; Y326-Y333 AromaticContact CD1-CD2 3.97Å; Y326-Y333 HydrophobicContact CD1-CD2 3.97Å; Y326-Y333 HydrophobicContact CD1-CE2 4.34Å; Y326-Y333 HydrophobicContact CD2-CD2 4.01Å; Y326-Y333 AromaticContact CE1-CD2 3.67Å; Y326-Y333 HydrophobicContact CE1-CD2 3.67Å; Y326-Y333 AromaticContact CE1-CE2 3.96Å; Y326-Y333 HydrophobicContact CE1-CE2 3.96Å; Y326-Y333 AromaticContact CE2-CD2 3.69Å; Y326-Y333 HydrophobicContact CE2-CD2 3.69Å; Y326-Y333 HydrophobicContact CE2-CG 4.34Å; Y326-Y333 HydrophobicContact CG-CD2 4.13Å; Y326-Y333 AromaticContact CZ-CD2 3.51Å
327	T	89.6	Confident	95	Very high	11 Å²	11	23.9 Å²	23.9	7%	0.067	12%	0.122	C	C	.	.	H	α-helix	trans	-65.8	-25.6	-176.6	-48.1	0	0	0	0	112.1	L12 L13 L152 E323 H324 G329	L12-T327 HydrophobicContact CB-CG2 3.75Å; L12-T327 HydrophobicContact CD2-CG2 3.49Å; L12-T327 VanDerWaalsContact CD2-CG2 3.49Å; L12-T327 HydrophobicContact CG-CG2 3.7Å; L13-T327 HydrophobicContact CD2-CG2 3.93Å; L13-T327 HydrophobicContact CG-CG2 3.98Å; L152-T327 VanDerWaalsContact CD1-O 3.22Å; L152-T327 WeakPolarHBondContact CD1-O 3.47Å; E323-T327 WeakPolarHBondContact O-CB 3.39Å; E323-T327 PolarHBondContact O-N 2.83Å; E323-T327 PolarHBondContact O-OG1 3.33Å; H324-T327 PolarHBondContact O-N 3.4Å; T327-G329 VanDerWaalsContact C-N 3.34Å
328	Q	89.8	Confident	94.9	Very high	87 Å²	87	22 Å²	22	41%	0.407	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.3	172.2	-62.5	-65.6	-17.1	0	0	113.3	H324 L325 Y326 Y330 Y396	H324-Q328 WeakPolarHBondContact O-CG 3.37Å; H324-Q328 PolarHBondContact O-N 2.82Å; H324-Q328 VanDerWaalsContact O-N 3.15Å; L325-Q328 PolarHBondContact O-N 2.88Å; Y326-Q328 PolarHBondContact O-N 3.4Å; Q328-Y330 HydrophobicContact CB-CD2 3.54Å; Q328-Y330 HydrophobicContact CB-CE2 3.47Å; Q328-Y330 VanDerWaalsContact CB-CE2 3.47Å; Q328-Y330 HydrophobicContact CB-CG 4.48Å; Q328-Y330 HydrophobicContact CG-CD2 4.45Å; Q328-Y330 HydrophobicContact CG-CE2 4.14Å; Q328-Y396 HydrophobicContact CG-CE2 4.37Å
329	G	90.2	Very high	94.7	Very high	8 Å²	8	22.7 Å²	22.7	8%	0.082	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	14.6	179.4	0	0	0	0	0	114.6	L325 Y326 T327 M390	L325-G329 PolarHBondContact O-N 3.34Å; Y326-G329 WeakPolarHBondContact O-CA 3.27Å; Y326-G329 PolarHBondContact O-N 2.93Å; T327-G329 VanDerWaalsContact C-N 3.34Å; G329-M390 VanDerWaalsContact O-CB 3.22Å; G329-M390 WeakPolarHBondContact O-CB 3.44Å; G329-M390 WeakPolarHBondContact O-CG 3.35Å
330	Y	93.6	Very high	94.5	Very high	20 Å²	20	28.6 Å²	28.6	8%	0.078	13%	0.133	C	C	.	.	S	Bend	trans	-74.6	-32	178.8	-66.3	-55.6	0	0	0	113.1	L325 Q328 P389 M390 L392 N393 S394 E395 Y396	L325-Y330 HydrophobicContact CD2-CD2 3.85Å; L325-Y330 HydrophobicContact CD2-CG 4.32Å; L325-Y330 WeakPolarHBondContact O-CB 3.42Å; L325-Y330 PolarHBondContact O-N 3.1Å; Q328-Y330 HydrophobicContact CB-CD2 3.54Å; Q328-Y330 HydrophobicContact CB-CE2 3.47Å; Q328-Y330 VanDerWaalsContact CB-CE2 3.47Å; Q328-Y330 HydrophobicContact CB-CG 4.48Å; Q328-Y330 HydrophobicContact CG-CD2 4.45Å; Q328-Y330 HydrophobicContact CG-CE2 4.14Å; Y330-P389 CarbonylContact O-C 3.49Å; Y330-P389 WeakPolarHBondContact O-CA 3.41Å; Y330-M390 PolarHBondContact O-N 3.25Å; Y330-L392 HydrophobicContact CD1-CB 3.66Å; Y330-L392 HydrophobicContact CE1-CB 3.9Å; Y330-N393 VanDerWaalsContact CE1-C 3.49Å; Y330-N393 WeakPolarHBondContact CE1-O 3.32Å; Y330-N393 PolarHBondContact OH-O 3.48Å; Y330-S394 VanDerWaalsContact CE1-CA 3.49Å; Y330-E395 PolarHBondContact OH-N 2.68Å; Y330-E395 VanDerWaalsContact OH-N 3.1Å; Y330-Y396 HydrophobicContact CD2-CD2 4.37Å; Y330-Y396 HydrophobicContact CD2-CE2 4.03Å; Y330-Y396 HydrophobicContact CE2-CD2 4.02Å; Y330-Y396 AromaticContact CE2-CE2 3.76Å; Y330-Y396 HydrophobicContact CE2-CE2 3.76Å
331	I	96.5	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-132.3	160.4	-179.5	65	171.3	0	0	0	111.7	A322 L325 P334 I387 T388 Y406 I409	A322-I331 HydrophobicContact CB-CD1 4.21Å; A322-I331 WeakPolarHBondContact O-CD1 3.15Å; L325-I331 HydrophobicContact CB-CD1 3.86Å; L325-I331 HydrophobicContact CB-CG1 3.78Å; L325-I331 HydrophobicContact CB-CG2 4.38Å; L325-I331 HydrophobicContact CD1-CD1 4.44Å; I331-P334 HydrophobicContact CD1-CB 4.2Å; I331-I387 HydrophobicContact CD1-CG2 4.22Å; I331-T388 CarbonylContact C-O 3.55Å; I331-T388 WeakPolarHBondContact CA-O 3.5Å; I331-T388 WeakPolarHBondContact CB-O 2.91Å; I331-Y406 HydrophobicContact CG2-CD2 3.85Å; I331-Y406 HydrophobicContact CG2-CE2 3.95Å; I331-I409 HydrophobicContact CD1-CD1 3.85Å; I331-I409 HydrophobicContact CG2-CD1 4.02Å; I331-I409 HydrophobicContact CG2-CG2 4.01Å
332	S	95.7	Very high	93.8	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.028	14%	0.135	C	C	.	.	S	Bend	trans	-66.1	168.2	163.9	61.6	0	0	0	0	111.2	P386 I387 T388	S332-P386 PolarHBondContact OG-O 3.43Å; S332-I387 WeakPolarHBondContact OG-CA 3.27Å; S332-T388 WeakPolarHBondContact CB-OG1 3.11Å; S332-T388 PolarHBondContact N-O 3.23Å; S332-T388 PolarHBondContact OG-N 3.44Å; S332-T388 PolarHBondContact OG-OG1 2.76Å; S332-T388 VanDerWaalsContact OG-OG1 3.05Å
333	Y	96.2	Very high	93.2	Very high	5 Å²	5	35.7 Å²	35.7	2%	0.02	18%	0.181	C	C	.	.			trans	-56.2	126.1	-175.1	-166.3	-115.4	0	0	0	112.3	D116 D118 S150 Y326 R335 H384	D116-Y333 HydrophobicContact CB-CE2 3.6Å; D116-Y333 WeakPolarHBondContact CB-OH 3.26Å; D118-Y333 HydrophobicContact CB-CE1 4.02Å; D118-Y333 PolarHBondContact OD2-OH 3.04Å; S150-Y333 WeakPolarHBondContact O-CB 3.32Å; S150-Y333 PolarHBondContact O-N 3.32Å; Y326-Y333 AromaticContact CD1-CD2 3.97Å; Y326-Y333 HydrophobicContact CD1-CD2 3.97Å; Y326-Y333 HydrophobicContact CD1-CE2 4.34Å; Y326-Y333 HydrophobicContact CD2-CD2 4.01Å; Y326-Y333 AromaticContact CE1-CD2 3.67Å; Y326-Y333 HydrophobicContact CE1-CD2 3.67Å; Y326-Y333 AromaticContact CE1-CE2 3.96Å; Y326-Y333 HydrophobicContact CE1-CE2 3.96Å; Y326-Y333 AromaticContact CE2-CD2 3.69Å; Y326-Y333 HydrophobicContact CE2-CD2 3.69Å; Y326-Y333 HydrophobicContact CE2-CG 4.34Å; Y326-Y333 HydrophobicContact CG-CD2 4.13Å; Y326-Y333 AromaticContact CZ-CD2 3.51Å; Y333-R335 VanDerWaalsContact C-N 3.33Å; Y333-R335 HydrophobicContact CD1-CB 4.07Å; Y333-R335 HydrophobicContact CE1-CB 3.59Å; Y333-R335 HydrophobicContact CE1-CG 4.26Å; Y333-R335 PolarHBondContact O-N 2.9Å; Y333-H384 AromaticContact CD1-CD2 3.44Å; Y333-H384 VanDerWaalsContact CD1-CD2 3.44Å; Y333-H384 WeakPolarHBondContact CD1-CD2 3.47Å; Y333-H384 AromaticContact CD1-CE1 3.69Å; Y333-H384 AromaticContact CD1-NE2 3.16Å; Y333-H384 WeakPolarHBondContact CD1-NE2 3.19Å; Y333-H384 AromaticContact CE1-NE2 3.58Å; Y333-H384 AromaticContact CG-NE2 3.97Å
334	P	97	Very high	92.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-88.8	6	-166	35.3	-36.9	0	0	0	114.4	T300 M303 M319 A322 E323 I331 I387	T300-P334 PolarHBondContact OG1-O 3.03Å; M303-P334 HydrophobicContact CE-CB 4.36Å; M319-P334 HydrophobicContact CE-CB 4.44Å; M319-P334 HydrophobicContact CE-CG 4.31Å; A322-P334 HydrophobicContact CB-CB 3.53Å; A322-P334 HydrophobicContact CB-CG 3.9Å; E323-P334 HydrophobicContact CG-CG 4.41Å; I331-P334 HydrophobicContact CD1-CB 4.2Å; P334-I387 HydrophobicContact CB-CD1 4.33Å; P334-I387 WeakPolarHBondContact O-CD1 3.35Å
335	R	95.7	Very high	92.2	Very high	53 Å²	53	38.8 Å²	38.8	20%	0.2	20%	0.2	C	C	.	.			trans	-112.1	85.8	176.8	-61.1	172.5	176	-115.1	2.1	108.3	T300 M319 E323 Y333 A512	T300-R335 VanDerWaalsContact OG1-CA 3.25Å; T300-R335 WeakPolarHBondContact OG1-CA 3.42Å; M319-R335 HydrophobicContact CE-CG 3.47Å; M319-R335 VanDerWaalsContact CE-CG 3.47Å; E323-R335 IonicContact OE1-CZ 2.81Å; E323-R335 IonicContact OE1-NE 3.82Å; E323-R335 PolarHBondContact OE1-NE 3.03Å; E323-R335 IonicContact OE1-NH2 2.82Å; E323-R335 PolarHBondContact OE1-NH2 3.07Å; Y333-R335 VanDerWaalsContact C-N 3.33Å; Y333-R335 HydrophobicContact CD1-CB 4.07Å; Y333-R335 HydrophobicContact CE1-CB 3.59Å; Y333-R335 HydrophobicContact CE1-CG 4.26Å; Y333-R335 PolarHBondContact O-N 2.9Å; R335-A512 HydrophobicContact CB-CB 3.82Å; R335-A512 HydrophobicContact CG-CB 3.76Å
336	T	93.9	Very high	91.7	Very high	3 Å²	3	43 Å²	43	2%	0.018	22%	0.222	C	C	.	.			trans	-146.8	138.8	-177.4	177.6	0	0	0	0	110.4	N299 T300 T338 D383 H384 I387	N299-T336 WeakPolarHBondContact CB-O 3.33Å; T300-T336 PolarHBondContact N-O 3.27Å; T300-T336 PolarHBondContact OG1-N 3.35Å; T300-T336 PolarHBondContact OG1-O 3.38Å; T300-T336 VanDerWaalsContact OG1-O 3.08Å; T336-T338 WeakPolarHBondContact OG1-CB 3.42Å; T336-T338 PolarHBondContact OG1-N 3.44Å; T336-T338 VanDerWaalsContact OG1-N 3.09Å; T336-D383 VanDerWaalsContact CA-OD2 3.31Å; T336-D383 WeakPolarHBondContact CA-OD2 3.3Å; T336-D383 PolarHBondContact OG1-OD1 3.43Å; T336-H384 PolarHBondContact OG1-O 3.28Å; T336-I387 HydrophobicContact CG2-CD1 4.3Å; T336-I387 HydrophobicContact CG2-CG1 3.54Å
337	E	92.4	Very high	91.4	Very high	95 Å²	95	43.5 Å²	43.5	44%	0.444	22%	0.224	S	C	.	.			trans	-90.3	-17.1	170.3	-65.1	-175.9	-174.6	0	0	111.8	T339 A381 D383	E337-T339 PolarHBondContact O-N 3.09Å; E337-A381 HydrophobicContact CB-CB 3.8Å; E337-D383 PolarHBondContact N-OD2 2.94Å
338	T	94.2	Very high	91.3	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	25%	0.252	C	S	.	.			trans	-65.4	130.9	-177.7	-69.2	0	0	0	0	112.3	T336 R340 V379 A381 D383 H384 P386	T336-T338 WeakPolarHBondContact OG1-CB 3.42Å; T336-T338 PolarHBondContact OG1-N 3.44Å; T336-T338 VanDerWaalsContact OG1-N 3.09Å; T338-R340 WeakPolarHBondContact CG2-O 3.31Å; T338-V379 WeakPolarHBondContact CA-O 3.45Å; T338-A381 PolarHBondContact OG1-N 2.74Å; T338-D383 WeakPolarHBondContact CB-OD1 3.23Å; T338-D383 PolarHBondContact OG1-OD1 3.43Å; T338-H384 WeakPolarHBondContact CB-O 3.28Å; T338-H384 WeakPolarHBondContact CG2-O 3.45Å; T338-H384 PolarHBondContact OG1-O 2.96Å; T338-P386 HydrophobicContact CG2-CG 4.11Å
339	T	94.3	Very high	91.2	Very high	14 Å²	14	50.8 Å²	50.8	9%	0.086	26%	0.257	C	S	.	.			trans	-120	10.5	176.6	52.7	0	0	0	0	112.4	I296 A297 N299 E337 G378 V379	I296-T339 HydrophobicContact CD1-CG2 3.83Å; I296-T339 HydrophobicContact CG1-CG2 4.35Å; A297-T339 WeakPolarHBondContact CB-O 3.09Å; A297-T339 PolarHBondContact N-O 2.82Å; A297-T339 WeakPolarHBondContact O-CG2 3.3Å; N299-T339 HydrophobicContact CB-CG2 3.65Å; E337-T339 PolarHBondContact O-N 3.09Å; T339-G378 WeakPolarHBondContact OG1-CA 3.24Å; T339-V379 PolarHBondContact N-O 2.82Å; T339-V379 PolarHBondContact OG1-N 2.87Å
340	R	93.3	Very high	91.2	Very high	125 Å²	125	51 Å²	51	47%	0.472	26%	0.256	S	S	.	.	S	Bend	trans	-115.5	129.3	177.5	-179.7	175.6	-66.2	-166.6	5.4	110.7	T338 G377 G378 V379 D380 P386	T338-R340 WeakPolarHBondContact CG2-O 3.31Å; R340-G377 PolarHBondContact NE-O 3.46Å; R340-G378 PolarHBondContact NE-O 3.44Å; R340-G378 VanDerWaalsContact NE-O 3.12Å; R340-G378 PolarHBondContact NH2-O 3Å; R340-V379 PolarHBondContact N-O 3.43Å; R340-D380 HydrophobicContact CB-CB 4.41Å; R340-P386 VanDerWaalsContact O-CD 3.3Å; R340-P386 WeakPolarHBondContact O-CD 3.25Å; R340-P386 WeakPolarHBondContact O-CG 3.26Å
341	Y	90.7	Very high	91	Very high	20 Å²	20	50.3 Å²	50.3	8%	0.078	25%	0.254	C	S	.	.			trans	-71.2	140.4	170.4	-69.2	-89.2	0	0	0	110.9	A297 F345 F347 P375 P386 T388 F413 T416	A297-Y341 HydrophobicContact CB-CD2 3.69Å; A297-Y341 HydrophobicContact CB-CE2 3.22Å; Y341-F345 AromaticContact CD1-CD1 3.81Å; Y341-F345 HydrophobicContact CD1-CD1 3.81Å; Y341-F345 HydrophobicContact CD1-CD2 4.05Å; Y341-F345 AromaticContact CD1-CE1 3.86Å; Y341-F345 HydrophobicContact CD1-CE1 3.86Å; Y341-F345 HydrophobicContact CD1-CE2 4.09Å; Y341-F345 AromaticContact CD1-CG 3.9Å; Y341-F345 HydrophobicContact CD1-CG 3.9Å; Y341-F345 AromaticContact CD1-CZ 3.99Å; Y341-F345 HydrophobicContact CD1-CZ 3.99Å; Y341-F345 HydrophobicContact CE1-CD1 4.34Å; Y341-F345 AromaticContact CE1-CE1 3.94Å; Y341-F345 HydrophobicContact CE1-CE1 3.94Å; Y341-F345 HydrophobicContact CE1-CE2 4.43Å; Y341-F345 AromaticContact CE1-CZ 3.98Å; Y341-F345 HydrophobicContact CE1-CZ 3.98Å; Y341-F347 HydrophobicContact CD1-CE1 4.03Å; Y341-F347 AromaticContact CD1-CZ 3.82Å; Y341-F347 HydrophobicContact CD1-CZ 3.82Å; Y341-F347 HydrophobicContact CD2-CE1 4.41Å; Y341-F347 HydrophobicContact CD2-CZ 4.05Å; Y341-F347 AromaticContact CE1-CE1 3.87Å; Y341-F347 HydrophobicContact CE1-CE1 3.87Å; Y341-F347 HydrophobicContact CE1-CZ 4.14Å; Y341-F347 HydrophobicContact CE2-CE1 4.31Å; Y341-F347 HydrophobicContact CE2-CZ 4.4Å; Y341-F347 HydrophobicContact CG-CE1 4.28Å; Y341-F347 AromaticContact CG-CZ 3.75Å; Y341-F347 HydrophobicContact CG-CZ 3.75Å; Y341-P375 HydrophobicContact CD2-CB 4.12Å; Y341-P375 HydrophobicContact CD2-CG 3.58Å; Y341-P375 HydrophobicContact CE2-CB 4.25Å; Y341-P375 HydrophobicContact CE2-CG 3.52Å; Y341-P386 HydrophobicContact CD1-CG 4.35Å; Y341-P386 HydrophobicContact CD2-CG 4.48Å; Y341-P386 HydrophobicContact CG-CG 4.35Å; Y341-T388 HydrophobicContact CD1-CG2 4.33Å; Y341-T388 HydrophobicContact CE1-CG2 3.34Å; Y341-F413 HydrophobicContact CE1-CD2 4.33Å; Y341-F413 HydrophobicContact CE1-CE2 4.11Å; Y341-F413 VanDerWaalsContact OH-CD2 3.24Å; Y341-F413 WeakPolarHBondContact OH-CD2 3.32Å; Y341-T416 PolarHBondContact OH-OG1 2.91Å
342	P	88.1	Confident	90.7	Very high	47 Å²	47	54.5 Å²	54.5	31%	0.305	28%	0.28	S	S	.	.			trans	-55.2	147.4	171.1	-24.5	33	0	0	0	111.9	N344 F345 P385	P342-N344 VanDerWaalsContact CB-OD1 3.23Å; P342-N344 WeakPolarHBondContact CB-OD1 3.3Å; P342-N344 PolarHBondContact O-N 2.96Å; P342-N344 VanDerWaalsContact O-N 3.15Å; P342-F345 HydrophobicContact CB-CB 4.4Å; P342-F345 WeakPolarHBondContact O-CB 3.34Å; P342-F345 PolarHBondContact O-N 2.85Å; P342-P385 HydrophobicContact CG-CB 4.28Å; P342-P385 HydrophobicContact CG-CG 4.21Å
343	S	85.1	Confident	90.5	Very high	137 Å²	137	55 Å²	55	96%	0.958	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.8	-179.4	53.7	0	0	0	0	113.7
344	N	83.7	Confident	90.3	Very high	138 Å²	138	54.8 Å²	54.8	74%	0.738	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	10	177.1	66.1	-19.3	0	0	0	113.7	P342 D346	P342-N344 VanDerWaalsContact CB-OD1 3.23Å; P342-N344 WeakPolarHBondContact CB-OD1 3.3Å; P342-N344 PolarHBondContact O-N 2.96Å; P342-N344 VanDerWaalsContact O-N 3.15Å; N344-D346 PolarHBondContact O-N 2.74Å
345	F	85.2	Confident	90	Very high	45 Å²	45	60.1 Å²	60.1	20%	0.197	31%	0.305	C	S	.	.			trans	-69.7	119.2	-178.7	-167.8	-85.6	0	0	0	111.4	Y341 P342 F347 I350 T388 F413	Y341-F345 AromaticContact CD1-CD1 3.81Å; Y341-F345 HydrophobicContact CD1-CD1 3.81Å; Y341-F345 HydrophobicContact CD1-CD2 4.05Å; Y341-F345 AromaticContact CD1-CE1 3.86Å; Y341-F345 HydrophobicContact CD1-CE1 3.86Å; Y341-F345 HydrophobicContact CD1-CE2 4.09Å; Y341-F345 AromaticContact CD1-CG 3.9Å; Y341-F345 HydrophobicContact CD1-CG 3.9Å; Y341-F345 AromaticContact CD1-CZ 3.99Å; Y341-F345 HydrophobicContact CD1-CZ 3.99Å; Y341-F345 HydrophobicContact CE1-CD1 4.34Å; Y341-F345 AromaticContact CE1-CE1 3.94Å; Y341-F345 HydrophobicContact CE1-CE1 3.94Å; Y341-F345 HydrophobicContact CE1-CE2 4.43Å; Y341-F345 AromaticContact CE1-CZ 3.98Å; Y341-F345 HydrophobicContact CE1-CZ 3.98Å; P342-F345 HydrophobicContact CB-CB 4.4Å; P342-F345 WeakPolarHBondContact O-CB 3.34Å; P342-F345 PolarHBondContact O-N 2.85Å; F345-F347 HydrophobicContact CB-CE2 4.44Å; F345-F347 HydrophobicContact CD1-CD1 4.07Å; F345-F347 AromaticContact CD1-CD2 3.8Å; F345-F347 HydrophobicContact CD1-CD2 3.8Å; F345-F347 AromaticContact CD1-CE1 3.89Å; F345-F347 HydrophobicContact CD1-CE1 3.89Å; F345-F347 AromaticContact CD1-CE2 3.6Å; F345-F347 HydrophobicContact CD1-CE2 3.6Å; F345-F347 HydrophobicContact CD1-CG 4.01Å; F345-F347 AromaticContact CD1-CZ 3.63Å; F345-F347 HydrophobicContact CD1-CZ 3.63Å; F345-F347 AromaticContact CE1-CD1 3.9Å; F345-F347 HydrophobicContact CE1-CD1 3.9Å; F345-F347 HydrophobicContact CE1-CD2 4.4Å; F345-F347 AromaticContact CE1-CE1 3.88Å; F345-F347 HydrophobicContact CE1-CE1 3.88Å; F345-F347 HydrophobicContact CE1-CE2 4.38Å; F345-F347 HydrophobicContact CE1-CG 4.15Å; F345-F347 HydrophobicContact CE1-CZ 4.11Å; F345-F347 HydrophobicContact CG-CE2 4.46Å; F345-I350 HydrophobicContact CE1-CD1 3.83Å; F345-I350 HydrophobicContact CZ-CD1 3.53Å; F345-T388 HydrophobicContact CZ-CG2 4.2Å; F345-F413 HydrophobicContact CE1-CE2 4.18Å
346	D	85.2	Confident	89.6	Confident	87 Å²	87	67.4 Å²	67.4	47%	0.465	33%	0.332	S	S	.	.			trans	-94.7	110	176.7	-172.5	4.7	0	0	0	111.4	N344 R348 P349	N344-D346 PolarHBondContact O-N 2.74Å; D346-R348 WeakPolarHBondContact OD1-CB 3.43Å; D346-R348 WeakPolarHBondContact OD1-CG 3.48Å; D346-R348 PolarHBondContact OD1-N 3.47Å; D346-P349 VanDerWaalsContact CG-CD 3.44Å; D346-P349 WeakPolarHBondContact O-CD 3.24Å; D346-P349 WeakPolarHBondContact OD2-CD 3.03Å
347	F	88.2	Confident	89.3	Confident	13 Å²	13	68 Å²	68	6%	0.057	34%	0.335	C	S	.	.			trans	-74.4	-23.5	179.4	-66.2	-96.6	0	0	0	113.1	Y341 F345 I350 L351 I372 P374 P375 F413 A417	Y341-F347 HydrophobicContact CD1-CE1 4.03Å; Y341-F347 AromaticContact CD1-CZ 3.82Å; Y341-F347 HydrophobicContact CD1-CZ 3.82Å; Y341-F347 HydrophobicContact CD2-CE1 4.41Å; Y341-F347 HydrophobicContact CD2-CZ 4.05Å; Y341-F347 AromaticContact CE1-CE1 3.87Å; Y341-F347 HydrophobicContact CE1-CE1 3.87Å; Y341-F347 HydrophobicContact CE1-CZ 4.14Å; Y341-F347 HydrophobicContact CE2-CE1 4.31Å; Y341-F347 HydrophobicContact CE2-CZ 4.4Å; Y341-F347 HydrophobicContact CG-CE1 4.28Å; Y341-F347 AromaticContact CG-CZ 3.75Å; Y341-F347 HydrophobicContact CG-CZ 3.75Å; F345-F347 HydrophobicContact CB-CE2 4.44Å; F345-F347 HydrophobicContact CD1-CD1 4.07Å; F345-F347 AromaticContact CD1-CD2 3.8Å; F345-F347 HydrophobicContact CD1-CD2 3.8Å; F345-F347 AromaticContact CD1-CE1 3.89Å; F345-F347 HydrophobicContact CD1-CE1 3.89Å; F345-F347 AromaticContact CD1-CE2 3.6Å; F345-F347 HydrophobicContact CD1-CE2 3.6Å; F345-F347 HydrophobicContact CD1-CG 4.01Å; F345-F347 AromaticContact CD1-CZ 3.63Å; F345-F347 HydrophobicContact CD1-CZ 3.63Å; F345-F347 AromaticContact CE1-CD1 3.9Å; F345-F347 HydrophobicContact CE1-CD1 3.9Å; F345-F347 HydrophobicContact CE1-CD2 4.4Å; F345-F347 AromaticContact CE1-CE1 3.88Å; F345-F347 HydrophobicContact CE1-CE1 3.88Å; F345-F347 HydrophobicContact CE1-CE2 4.38Å; F345-F347 HydrophobicContact CE1-CG 4.15Å; F345-F347 HydrophobicContact CE1-CZ 4.11Å; F345-F347 HydrophobicContact CG-CE2 4.46Å; F347-I350 PolarHBondContact O-N 3.08Å; F347-L351 HydrophobicContact CB-CD1 4.22Å; F347-L351 WeakPolarHBondContact O-CG 3.27Å; F347-L351 PolarHBondContact O-N 2.71Å; F347-I372 HydrophobicContact CB-CG2 3.97Å; F347-I372 HydrophobicContact CG-CG2 4.27Å; F347-P374 HydrophobicContact CE2-CB 3.95Å; F347-P374 HydrophobicContact CZ-CB 4.47Å; F347-P375 HydrophobicContact CE1-CG 4.4Å; F347-P375 VanDerWaalsContact CZ-CD 3.42Å; F347-P375 HydrophobicContact CZ-CG 4.25Å; F347-F413 AromaticContact CD1-CE2 3.7Å; F347-F413 HydrophobicContact CD1-CE2 3.7Å; F347-F413 AromaticContact CD1-CZ 3.56Å; F347-F413 HydrophobicContact CD1-CZ 3.56Å; F347-F413 AromaticContact CE1-CE2 3.87Å; F347-F413 HydrophobicContact CE1-CE2 3.87Å; F347-F413 HydrophobicContact CE1-CZ 4.22Å; F347-A417 HydrophobicContact CD1-CB 3.61Å; F347-A417 HydrophobicContact CE1-CB 3.86Å
348	R	87.4	Confident	89.1	Confident	172 Å²	172	68.7 Å²	68.7	65%	0.649	35%	0.348	S	S	*	.	H	α-helix	trans	-64.6	-42.9	-168.3	-62.8	170.1	179.2	153.1	-0.5	113.9	D346 I350 L351 T352 I372	D346-R348 WeakPolarHBondContact OD1-CB 3.43Å; D346-R348 WeakPolarHBondContact OD1-CG 3.48Å; D346-R348 PolarHBondContact OD1-N 3.47Å; R348-I350 VanDerWaalsContact C-N 3.32Å; R348-I350 PolarHBondContact O-N 2.68Å; R348-L351 PolarHBondContact O-N 2.92Å; R348-T352 WeakPolarHBondContact O-CB 3.43Å; R348-T352 PolarHBondContact O-N 3.47Å; R348-T352 PolarHBondContact O-OG1 3.03Å; R348-I372 HydrophobicContact CG-CD1 3.8Å
349	P	88.4	Confident	88.7	Confident	79 Å²	79	73.8 Å²	73.8	51%	0.513	37%	0.372	S	S	.	.	H	α-helix	trans	-61.9	-41.4	178.5	-23.3	34.9	0	0	0	112	D346 T352 G353	D346-P349 VanDerWaalsContact CG-CD 3.44Å; D346-P349 WeakPolarHBondContact O-CD 3.24Å; D346-P349 WeakPolarHBondContact OD2-CD 3.03Å; P349-T352 PolarHBondContact O-N 3.03Å; P349-G353 PolarHBondContact O-N 3.25Å
350	I	90.5	Very high	88.4	Confident	14 Å²	14	73.5 Å²	73.5	7%	0.072	37%	0.369	C	S	.	.	H	α-helix	trans	-63.8	-50.7	179	-64.7	167.5	0	0	0	109.9	F345 F347 R348 T352 G353 L354 P389 F413	F345-I350 HydrophobicContact CE1-CD1 3.83Å; F345-I350 HydrophobicContact CZ-CD1 3.53Å; F347-I350 PolarHBondContact O-N 3.08Å; R348-I350 VanDerWaalsContact C-N 3.32Å; R348-I350 PolarHBondContact O-N 2.68Å; I350-T352 VanDerWaalsContact C-N 3.3Å; I350-T352 PolarHBondContact O-N 3.29Å; I350-G353 PolarHBondContact O-N 2.91Å; I350-G353 VanDerWaalsContact O-N 3.14Å; I350-L354 HydrophobicContact CG2-CD1 3.76Å; I350-L354 HydrophobicContact CG2-CG 4.27Å; I350-L354 WeakPolarHBondContact O-CG 3.27Å; I350-L354 PolarHBondContact O-N 3.37Å; I350-P389 WeakPolarHBondContact CD1-O 3.12Å; I350-P389 HydrophobicContact CG2-CG 4.01Å; I350-P389 WeakPolarHBondContact CG2-O 3.37Å; I350-F413 HydrophobicContact CB-CE1 4.39Å; I350-F413 HydrophobicContact CB-CZ 4.18Å; I350-F413 HydrophobicContact CD1-CE2 4.47Å; I350-F413 HydrophobicContact CD1-CZ 4.24Å; I350-F413 HydrophobicContact CG2-CD1 4.33Å; I350-F413 HydrophobicContact CG2-CE1 3.6Å; I350-F413 HydrophobicContact CG2-CZ 3.73Å
351	L	89.8	Confident	88.2	Confident	4 Å²	4	71.6 Å²	71.6	2%	0.021	37%	0.365	C	S	.	.	H	α-helix	trans	-59.7	-40.8	178.5	-68	171.3	0	0	0	112	F347 R348 G353 L354 R355 I364 M367 I372 F413 L414	F347-L351 HydrophobicContact CB-CD1 4.22Å; F347-L351 WeakPolarHBondContact O-CG 3.27Å; F347-L351 PolarHBondContact O-N 2.71Å; R348-L351 PolarHBondContact O-N 2.92Å; L351-G353 VanDerWaalsContact C-N 3.31Å; L351-G353 PolarHBondContact O-N 3.49Å; L351-L354 PolarHBondContact O-N 3.46Å; L351-R355 WeakPolarHBondContact O-CB 3.49Å; L351-R355 PolarHBondContact O-N 2.95Å; L351-I364 HydrophobicContact CB-CG2 4.21Å; L351-I364 HydrophobicContact CD2-CG1 4.32Å; L351-M367 HydrophobicContact CD1-CE 3.78Å; L351-M367 HydrophobicContact CD2-CE 3.62Å; L351-M367 HydrophobicContact CD2-SD 4.47Å; L351-M367 HydrophobicContact CG-CE 4.38Å; L351-I372 HydrophobicContact CD1-CD1 3.45Å; L351-I372 VanDerWaalsContact CD1-CD1 3.45Å; L351-I372 HydrophobicContact CD1-CG1 3.81Å; L351-I372 HydrophobicContact CD1-CG2 4.42Å; L351-F413 HydrophobicContact CD2-CE1 3.91Å; L351-F413 HydrophobicContact CG-CE1 4.35Å; L351-L414 HydrophobicContact CD2-CD2 3.39Å
352	T	90	Very high	88	Confident	89 Å²	89	75.1 Å²	75.1	55%	0.546	39%	0.389	S	S	.	.	H	α-helix	trans	-62.3	-40	177.1	-58.7	0	0	0	0	111.7	R348 P349 I350	R348-T352 WeakPolarHBondContact O-CB 3.43Å; R348-T352 PolarHBondContact O-N 3.47Å; R348-T352 PolarHBondContact O-OG1 3.03Å; P349-T352 PolarHBondContact O-N 3.03Å; I350-T352 VanDerWaalsContact C-N 3.3Å; I350-T352 PolarHBondContact O-N 3.29Å
353	G	91.1	Very high	87.8	Confident	14 Å²	14	74.6 Å²	74.6	14%	0.144	38%	0.382	C	S	.	.	H	α-helix	trans	-66.1	-47.9	175	0	0	0	0	0	112.5	P349 I350 L351 R355 R356 G391	P349-G353 PolarHBondContact O-N 3.25Å; I350-G353 PolarHBondContact O-N 2.91Å; I350-G353 VanDerWaalsContact O-N 3.14Å; L351-G353 VanDerWaalsContact C-N 3.31Å; L351-G353 PolarHBondContact O-N 3.49Å; G353-R355 VanDerWaalsContact C-N 3.3Å; G353-R355 PolarHBondContact O-N 2.88Å; G353-R356 WeakPolarHBondContact O-CB 3.34Å; G353-R356 WeakPolarHBondContact O-CG 3.41Å; G353-R356 PolarHBondContact O-N 2.95Å; G353-G391 CarbonylContact C-O 3.59Å; G353-G391 WeakPolarHBondContact CA-O 3.48Å
354	L	91.5	Very high	87.9	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-67.6	-25.3	179.9	-65.8	175.3	0	0	0	113.6	I350 L351 R356 L357 I364 P389 V410 F413	I350-L354 HydrophobicContact CG2-CD1 3.76Å; I350-L354 HydrophobicContact CG2-CG 4.27Å; I350-L354 WeakPolarHBondContact O-CG 3.27Å; I350-L354 PolarHBondContact O-N 3.37Å; L351-L354 PolarHBondContact O-N 3.46Å; L354-R356 PolarHBondContact O-N 2.75Å; L354-L357 HydrophobicContact CD2-CD1 3.81Å; L354-L357 VanDerWaalsContact O-CB 3.28Å; L354-L357 WeakPolarHBondContact O-CB 3.48Å; L354-L357 PolarHBondContact O-N 2.87Å; L354-I364 VanDerWaalsContact C-CD1 3.48Å; L354-I364 HydrophobicContact CB-CD1 3.56Å; L354-P389 HydrophobicContact CD1-CB 4.29Å; L354-P389 HydrophobicContact CD1-CG 3.82Å; L354-P389 HydrophobicContact CD2-CB 4.31Å; L354-V410 HydrophobicContact CD1-CG1 3.94Å; L354-V410 HydrophobicContact CD2-CG1 4.13Å; L354-V410 HydrophobicContact CD2-CG2 3.87Å; L354-F413 HydrophobicContact CD1-CD1 4.2Å; L354-F413 HydrophobicContact CD1-CE1 4.35Å
355	R	90.8	Very high	88.1	Confident	113 Å²	113	63.3 Å²	63.3	43%	0.426	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-23.6	176.2	-169.1	-179	179.2	174.9	7.8	112.9	L351 G353 L357 Q361 I364 D365	L351-R355 WeakPolarHBondContact O-CB 3.49Å; L351-R355 PolarHBondContact O-N 2.95Å; G353-R355 VanDerWaalsContact C-N 3.3Å; G353-R355 PolarHBondContact O-N 2.88Å; R355-L357 PolarHBondContact O-N 3.04Å; R355-Q361 HydrophobicContact CG-CG 4.22Å; R355-Q361 WeakPolarHBondContact O-CB 3.42Å; R355-Q361 WeakPolarHBondContact O-CG 3.41Å; R355-I364 HydrophobicContact CB-CD1 4.48Å; R355-I364 HydrophobicContact CB-CG2 4.02Å; R355-I364 HydrophobicContact CG-CG2 4.23Å; R355-D365 WeakPolarHBondContact CD-OD1 3.28Å; R355-D365 WeakPolarHBondContact CG-OD1 3.46Å; R355-D365 IonicContact CZ-OD1 3.56Å; R355-D365 IonicContact CZ-OD2 3.38Å; R355-D365 IonicContact NE-OD1 3.27Å; R355-D365 PolarHBondContact NE-OD1 2.89Å; R355-D365 IonicContact NE-OD2 3.35Å; R355-D365 IonicContact NH2-OD1 3.55Å; R355-D365 PolarHBondContact NH2-OD1 3.3Å; R355-D365 VanDerWaalsContact NH2-OD1 3.1Å; R355-D365 IonicContact NH2-OD2 3.46Å; R355-D365 PolarHBondContact NH2-OD2 2.81Å
356	R	88.5	Confident	87.8	Confident	205 Å²	205	63.8 Å²	63.8	77%	0.774	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.5	177.1	-57.4	177.1	-174.4	-168.8	0.6	113.2	G353 L354 P358	G353-R356 WeakPolarHBondContact O-CB 3.34Å; G353-R356 WeakPolarHBondContact O-CG 3.41Å; G353-R356 PolarHBondContact O-N 2.95Å; L354-R356 PolarHBondContact O-N 2.75Å; R356-P358 WeakPolarHBondContact O-CD 3.32Å
357	L	86.9	Confident	87.5	Confident	16 Å²	16	59.7 Å²	59.7	8%	0.084	29%	0.294	C	S	.	.	S	Bend	trans	-87.2	115.7	178	-58.3	176.9	0	0	0	109.1	L354 R355 E359 F360 Q361 N393	L354-L357 HydrophobicContact CD2-CD1 3.81Å; L354-L357 VanDerWaalsContact O-CB 3.28Å; L354-L357 WeakPolarHBondContact O-CB 3.48Å; L354-L357 PolarHBondContact O-N 2.87Å; R355-L357 PolarHBondContact O-N 3.04Å; L357-E359 PolarHBondContact O-N 3.13Å; L357-E359 VanDerWaalsContact O-N 3.15Å; L357-F360 HydrophobicContact CB-CD2 3.84Å; L357-F360 HydrophobicContact CD1-CD2 3.74Å; L357-F360 HydrophobicContact CD1-CE2 4.03Å; L357-F360 HydrophobicContact CG-CD2 4.43Å; L357-F360 PolarHBondContact O-N 2.74Å; L357-Q361 PolarHBondContact O-N 3.46Å; L357-N393 HydrophobicContact CD2-CB 3.8Å; L357-N393 WeakPolarHBondContact CD2-OD1 3.13Å
358	P	87.3	Confident	87.1	Confident	109 Å²	109	63 Å²	63	71%	0.708	32%	0.315	S	S	*	.	H	α-helix	trans	-56.4	-34.8	-176.2	-26.5	34.7	0	0	0	113.5	R356 F360	R356-P358 WeakPolarHBondContact O-CD 3.32Å; P358-F360 PolarHBondContact O-N 3.24Å
359	E	86.2	Confident	86.8	Confident	109 Å²	109	62.5 Å²	62.5	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-57.8	-34.8	177.1	-173.3	-174.9	160.6	0	0	112.6	L357 S407 Q411	L357-E359 PolarHBondContact O-N 3.13Å; L357-E359 VanDerWaalsContact O-N 3.15Å; E359-S407 PolarHBondContact OE1-OG 3.31Å; E359-Q411 PolarHBondContact OE1-NE2 3.44Å
360	F	87.7	Confident	86.1	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.035	32%	0.319	C	S	.	.	H	α-helix	trans	-111.1	-12.2	-172.2	-53.7	-53.3	0	0	0	114	L357 P358 V362 H363 I364 V410 Q411 L414	L357-F360 HydrophobicContact CB-CD2 3.84Å; L357-F360 HydrophobicContact CD1-CD2 3.74Å; L357-F360 HydrophobicContact CD1-CE2 4.03Å; L357-F360 HydrophobicContact CG-CD2 4.43Å; L357-F360 PolarHBondContact O-N 2.74Å; P358-F360 PolarHBondContact O-N 3.24Å; F360-V362 PolarHBondContact O-N 3.32Å; F360-H363 PolarHBondContact O-N 3.2Å; F360-H363 VanDerWaalsContact O-N 3.07Å; F360-I364 HydrophobicContact CB-CD1 3.9Å; F360-I364 WeakPolarHBondContact O-CG1 3.42Å; F360-I364 PolarHBondContact O-N 3.14Å; F360-V410 HydrophobicContact CD1-CG1 4.22Å; F360-V410 HydrophobicContact CD2-CB 4.42Å; F360-V410 HydrophobicContact CD2-CG1 3.44Å; F360-V410 VanDerWaalsContact CD2-CG1 3.44Å; F360-V410 HydrophobicContact CE1-CG1 4.17Å; F360-V410 HydrophobicContact CE2-CB 3.87Å; F360-V410 HydrophobicContact CE2-CG1 3.37Å; F360-V410 HydrophobicContact CE2-CG2 4.44Å; F360-V410 HydrophobicContact CG-CG1 3.88Å; F360-V410 HydrophobicContact CZ-CB 4.05Å; F360-V410 HydrophobicContact CZ-CG1 3.75Å; F360-Q411 HydrophobicContact CE1-CG 3.53Å; F360-Q411 HydrophobicContact CZ-CG 4.03Å; F360-L414 HydrophobicContact CB-CD1 3.89Å; F360-L414 HydrophobicContact CD1-CD1 3.88Å; F360-L414 HydrophobicContact CG-CD1 3.95Å
361	Q	89.2	Confident	85.3	Confident	84 Å²	84	63 Å²	63	39%	0.393	33%	0.328	S	S	.	.	H	α-helix	trans	-52.3	-51.6	-175.5	-175.4	-178.7	6.5	0	0	112.2	R355 L357 H363 I364 D365	R355-Q361 HydrophobicContact CG-CG 4.22Å; R355-Q361 WeakPolarHBondContact O-CB 3.42Å; R355-Q361 WeakPolarHBondContact O-CG 3.41Å; L357-Q361 PolarHBondContact O-N 3.46Å; Q361-H363 VanDerWaalsContact C-N 3.27Å; Q361-H363 PolarHBondContact O-N 2.88Å; Q361-I364 PolarHBondContact O-N 2.69Å; Q361-I364 VanDerWaalsContact O-N 3.14Å; Q361-D365 WeakPolarHBondContact O-CB 3.43Å; Q361-D365 VanDerWaalsContact O-CG 3.28Å; Q361-D365 PolarHBondContact O-N 2.84Å; Q361-D365 VanDerWaalsContact O-OD1 3.14Å
362	V	87.6	Confident	84.5	Confident	94 Å²	94	65.1 Å²	65.1	57%	0.57	34%	0.339	S	S	*	.	H	α-helix	trans	-60.6	-37.7	-178.7	177.1	0	0	0	0	111.6	F360 N366	F360-V362 PolarHBondContact O-N 3.32Å; V362-N366 PolarHBondContact O-N 3.44Å; V362-N366 PolarHBondContact O-ND2 3.39Å
363	H	84	Confident	83.6	Confident	37 Å²	37	65.3 Å²	65.3	17%	0.171	33%	0.333	C	S	.	.	H	α-helix	trans	-68.6	-40.8	178	-65.9	-73.8	0	0	0	111.7	F360 Q361 M367	F360-H363 PolarHBondContact O-N 3.2Å; F360-H363 VanDerWaalsContact O-N 3.07Å; Q361-H363 VanDerWaalsContact C-N 3.27Å; Q361-H363 PolarHBondContact O-N 2.88Å; H363-M367 VanDerWaalsContact O-CG 3.28Å; H363-M367 WeakPolarHBondContact O-CG 3.41Å; H363-M367 PolarHBondContact O-N 3.34Å; H363-M367 VanDerWaalsContact O-N 3.13Å
364	I	86.5	Confident	82.5	Confident	1 Å²	1	69 Å²	69	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-72.5	-37.5	-178.4	-65.5	165.7	0	0	0	111.6	L351 L354 R355 F360 Q361 M367 T368 L414	L351-I364 HydrophobicContact CB-CG2 4.21Å; L351-I364 HydrophobicContact CD2-CG1 4.32Å; L354-I364 VanDerWaalsContact C-CD1 3.48Å; L354-I364 HydrophobicContact CB-CD1 3.56Å; R355-I364 HydrophobicContact CB-CD1 4.48Å; R355-I364 HydrophobicContact CB-CG2 4.02Å; R355-I364 HydrophobicContact CG-CG2 4.23Å; F360-I364 HydrophobicContact CB-CD1 3.9Å; F360-I364 WeakPolarHBondContact O-CG1 3.42Å; F360-I364 PolarHBondContact O-N 3.14Å; Q361-I364 PolarHBondContact O-N 2.69Å; Q361-I364 VanDerWaalsContact O-N 3.14Å; I364-M367 WeakPolarHBondContact O-CB 3.47Å; I364-M367 PolarHBondContact O-N 3.39Å; I364-T368 PolarHBondContact O-N 3.03Å; I364-T368 PolarHBondContact O-OG1 3.17Å; I364-L414 HydrophobicContact CD1-CD2 4.24Å; I364-L414 HydrophobicContact CG1-CD1 4.39Å; I364-L414 HydrophobicContact CG1-CD2 3.83Å
365	D	87.4	Confident	81.6	Confident	37 Å²	37	70.2 Å²	70.2	20%	0.198	36%	0.362	C	S	.	.	H	α-helix	trans	-62.1	-50	178.5	-72.9	13.8	0	0	0	110.1	R355 Q361 M367 T368 E369	R355-D365 WeakPolarHBondContact CD-OD1 3.28Å; R355-D365 WeakPolarHBondContact CG-OD1 3.46Å; R355-D365 IonicContact CZ-OD1 3.56Å; R355-D365 IonicContact CZ-OD2 3.38Å; R355-D365 IonicContact NE-OD1 3.27Å; R355-D365 PolarHBondContact NE-OD1 2.89Å; R355-D365 IonicContact NE-OD2 3.35Å; R355-D365 IonicContact NH2-OD1 3.55Å; R355-D365 PolarHBondContact NH2-OD1 3.3Å; R355-D365 VanDerWaalsContact NH2-OD1 3.1Å; R355-D365 IonicContact NH2-OD2 3.46Å; R355-D365 PolarHBondContact NH2-OD2 2.81Å; Q361-D365 WeakPolarHBondContact O-CB 3.43Å; Q361-D365 VanDerWaalsContact O-CG 3.28Å; Q361-D365 PolarHBondContact O-N 2.84Å; Q361-D365 VanDerWaalsContact O-OD1 3.14Å; D365-M367 VanDerWaalsContact C-N 3.29Å; D365-M367 PolarHBondContact O-N 2.97Å; D365-T368 PolarHBondContact O-N 3.03Å; D365-T368 VanDerWaalsContact O-N 3.13Å; D365-E369 PolarHBondContact O-N 3.43Å; D365-E369 VanDerWaalsContact O-N 3.15Å
366	N	80.7	Confident	80.7	Confident	54 Å²	54	69.7 Å²	69.7	29%	0.289	38%	0.376	S	S	.	.	H	α-helix	trans	-61.3	-35.4	175.5	-68.9	-49.8	0	0	0	112.9	V362 T370 L420	V362-N366 PolarHBondContact O-N 3.44Å; V362-N366 PolarHBondContact O-ND2 3.39Å; N366-T370 WeakPolarHBondContact O-CG2 3.4Å; N366-T370 PolarHBondContact O-N 3.46Å; N366-T370 VanDerWaalsContact O-N 3.15Å; N366-T370 PolarHBondContact O-OG1 2.91Å; N366-L420 HydrophobicContact CB-CD1 3.35Å
367	M	78.5	Confident	80.4	Confident	1 Å²	1	62 Å²	62	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-64.6	-41.3	174.8	-81.5	173.3	58.4	0	0	112.6	L351 H363 I364 D365 E369 T370 G371 L414 A417 S418	L351-M367 HydrophobicContact CD1-CE 3.78Å; L351-M367 HydrophobicContact CD2-CE 3.62Å; L351-M367 HydrophobicContact CD2-SD 4.47Å; L351-M367 HydrophobicContact CG-CE 4.38Å; H363-M367 VanDerWaalsContact O-CG 3.28Å; H363-M367 WeakPolarHBondContact O-CG 3.41Å; H363-M367 PolarHBondContact O-N 3.34Å; H363-M367 VanDerWaalsContact O-N 3.13Å; I364-M367 WeakPolarHBondContact O-CB 3.47Å; I364-M367 PolarHBondContact O-N 3.39Å; D365-M367 VanDerWaalsContact C-N 3.29Å; D365-M367 PolarHBondContact O-N 2.97Å; M367-E369 VanDerWaalsContact C-N 3.29Å; M367-E369 PolarHBondContact O-N 3.49Å; M367-T370 PolarHBondContact O-N 3.42Å; M367-G371 CarbonylContact O-C 3.53Å; M367-G371 PolarHBondContact O-N 3.19Å; M367-L414 HydrophobicContact CE-CD2 4.45Å; M367-L414 HydrophobicContact SD-CD2 4.13Å; M367-A417 HydrophobicContact CE-CB 4.31Å; M367-S418 WeakPolarHBondContact CG-OG 3.5Å; M367-S418 WeakPolarHBondContact SD-CB 3.34Å
368	T	79.6	Confident	80.6	Confident	83 Å²	83	62.1 Å²	62.1	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-69.2	-33.7	-176.4	-49.9	0	0	0	0	110.5	I364 D365	I364-T368 PolarHBondContact O-N 3.03Å; I364-T368 PolarHBondContact O-OG1 3.17Å; D365-T368 PolarHBondContact O-N 3.03Å; D365-T368 VanDerWaalsContact O-N 3.13Å
369	E	81	Confident	80.8	Confident	162 Å²	162	61.6 Å²	61.6	76%	0.757	36%	0.36	S	S	*	.	H	α-helix	trans	-71.4	-40.2	174.8	-71.1	178.4	-178.4	0	0	113.4	D365 M367	D365-E369 PolarHBondContact O-N 3.43Å; D365-E369 VanDerWaalsContact O-N 3.15Å; M367-E369 VanDerWaalsContact C-N 3.29Å; M367-E369 PolarHBondContact O-N 3.49Å
370	T	73.7	Confident	81.1	Confident	79 Å²	79	61.4 Å²	61.4	49%	0.485	36%	0.362	S	S	.	.	H	α-helix	trans	-87.3	-14.8	-175.4	51.8	0	0	0	0	114.4	N366 M367	N366-T370 WeakPolarHBondContact O-CG2 3.4Å; N366-T370 PolarHBondContact O-N 3.46Å; N366-T370 VanDerWaalsContact O-N 3.15Å; N366-T370 PolarHBondContact O-OG1 2.91Å; M367-T370 PolarHBondContact O-N 3.42Å
371	G	73	Confident	81.2	Confident	25 Å²	25	63.3 Å²	63.3	26%	0.258	38%	0.38	S	S	.	.			trans	102	142.6	-178.6	0	0	0	0	0	113.1	M367	M367-G371 CarbonylContact O-C 3.53Å; M367-G371 PolarHBondContact O-N 3.19Å
372	I	73.9	Confident	81	Confident	48 Å²	48	62.6 Å²	62.6	25%	0.246	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-92.1	120.5	177.1	-59.1	159.5	0	0	0	108.1	F347 R348 L351	F347-I372 HydrophobicContact CB-CG2 3.97Å; F347-I372 HydrophobicContact CG-CG2 4.27Å; R348-I372 HydrophobicContact CG-CD1 3.8Å; L351-I372 HydrophobicContact CD1-CD1 3.45Å; L351-I372 VanDerWaalsContact CD1-CD1 3.45Å; L351-I372 HydrophobicContact CD1-CG1 3.81Å; L351-I372 HydrophobicContact CD1-CG2 4.42Å
373	H	70.9	Confident	80.9	Confident	92 Å²	92	60.5 Å²	60.5	43%	0.426	38%	0.381	S	S	.	.			trans	-110.9	119.7	175	-73.4	-91.6	0	0	0	109.7	H419	H373-H419 AromaticContact CD2-CD2 3.03Å; H373-H419 PolarHBondContact CD2-CD2 2.99Å; H373-H419 AromaticContact CD2-CG 3.74Å; H373-H419 AromaticContact CD2-NE2 3.65Å; H373-H419 AromaticContact NE2-CD2 3.13Å; H373-H419 PolarHBondContact NE2-CD2 3.15Å; H373-H419 AromaticContact NE2-NE2 3.49Å; H373-H419 PolarHBondContact NE2-NE2 3.29Å
374	P	68.2	Low	81.3	Confident	92 Å²	92	59.1 Å²	59.1	60%	0.597	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-59.2	143.2	179	21.3	-29.4	0	0	0	110.4	F347 S376	F347-P374 HydrophobicContact CE2-CB 3.95Å; F347-P374 HydrophobicContact CZ-CB 4.47Å; P374-S376 PolarHBondContact O-N 3.35Å
375	P	72.6	Confident	81.6	Confident	25 Å²	25	60.6 Å²	60.6	16%	0.162	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-61.5	135.9	-178.9	-20.8	34.7	0	0	0	110.6	Y341 F347 T416	Y341-P375 HydrophobicContact CD2-CB 4.12Å; Y341-P375 HydrophobicContact CD2-CG 3.58Å; Y341-P375 HydrophobicContact CE2-CB 4.25Å; Y341-P375 HydrophobicContact CE2-CG 3.52Å; F347-P375 HydrophobicContact CE1-CG 4.4Å; F347-P375 VanDerWaalsContact CZ-CD 3.42Å; F347-P375 HydrophobicContact CZ-CG 4.25Å; P375-T416 WeakPolarHBondContact CG-O 3.5Å
376	S	71	Confident	82	Confident	103 Å²	103	58.9 Å²	58.9	72%	0.72	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-92.9	139.8	174.5	53.2	0	0	0	0	110.9	P374	P374-S376 PolarHBondContact O-N 3.35Å
377	G	83.7	Confident	82.8	Confident	44 Å²	44	56.3 Å²	56.3	45%	0.454	36%	0.361	S	S	.	.			trans	98.5	-156.5	176.2	0	0	0	0	0	114.6	R340	R340-G377 PolarHBondContact NE-O 3.46Å
378	G	89.9	Confident	83.6	Confident	17 Å²	17	56.4 Å²	56.4	18%	0.175	36%	0.362	C	S	.	.			trans	77.6	174.3	-173.6	0	0	0	0	0	113.9	T339 R340	T339-G378 WeakPolarHBondContact OG1-CA 3.24Å; R340-G378 PolarHBondContact NE-O 3.44Å; R340-G378 VanDerWaalsContact NE-O 3.12Å; R340-G378 PolarHBondContact NH2-O 3Å
379	V	92.5	Very high	84.3	Confident	98 Å²	98	52.5 Å²	52.5	59%	0.594	34%	0.338	S	S	*	.			trans	-116.8	137	178.7	-179.2	0	0	0	0	108.4	T338 T339 R340	T338-V379 WeakPolarHBondContact CA-O 3.45Å; T339-V379 PolarHBondContact N-O 2.82Å; T339-V379 PolarHBondContact OG1-N 2.87Å; R340-V379 PolarHBondContact N-O 3.43Å
380	D	92.3	Very high	84.8	Confident	105 Å²	105	47 Å²	47	56%	0.561	31%	0.312	S	S	*	.			trans	-96.5	113	167.8	-179	3.4	0	0	0	107.4	R340 G382	R340-D380 HydrophobicContact CB-CB 4.41Å; D380-G382 VanDerWaalsContact C-N 3.28Å; D380-G382 PolarHBondContact OD1-N 2.89Å
381	A	88.8	Confident	85.4	Confident	49 Å²	49	43.8 Å²	43.8	41%	0.405	30%	0.295	S	S	.	.			trans	-84.6	-6.2	179.8	0	0	0	0	0	112.1	E337 T338 D383	E337-A381 HydrophobicContact CB-CB 3.8Å; T338-A381 PolarHBondContact OG1-N 2.74Å; A381-D383 VanDerWaalsContact C-N 3.29Å
382	G	84.4	Confident	86.1	Confident	69 Å²	69	46.8 Å²	46.8	71%	0.711	31%	0.305	S	S	*	.	S	Bend	trans	74.3	17.2	-179.1	0	0	0	0	0	114.1	D380	D380-G382 VanDerWaalsContact C-N 3.28Å; D380-G382 PolarHBondContact OD1-N 2.89Å
383	D	87.4	Confident	86.6	Confident	49 Å²	49	49.4 Å²	49.4	26%	0.262	32%	0.319	S	S	.	.	S	Bend	trans	-97.5	-77.4	177.8	55.1	-4.5	0	0	0	111.4	T336 E337 T338 A381	T336-D383 VanDerWaalsContact CA-OD2 3.31Å; T336-D383 WeakPolarHBondContact CA-OD2 3.3Å; T336-D383 PolarHBondContact OG1-OD1 3.43Å; E337-D383 PolarHBondContact N-OD2 2.94Å; T338-D383 WeakPolarHBondContact CB-OD1 3.23Å; T338-D383 PolarHBondContact OG1-OD1 3.43Å; A381-D383 VanDerWaalsContact C-N 3.29Å
384	H	91.7	Very high	87	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.037	30%	0.304	C	S	.	.			trans	-140.1	153	-174.8	-75.7	-74.2	0	0	0	109.5	C117 S150 Y333 T336 T338	C117-H384 PolarHBondContact O-NE2 2.95Å; S150-H384 PolarHBondContact OG-ND1 3.43Å; Y333-H384 AromaticContact CD1-CD2 3.44Å; Y333-H384 VanDerWaalsContact CD1-CD2 3.44Å; Y333-H384 WeakPolarHBondContact CD1-CD2 3.47Å; Y333-H384 AromaticContact CD1-CE1 3.69Å; Y333-H384 AromaticContact CD1-NE2 3.16Å; Y333-H384 WeakPolarHBondContact CD1-NE2 3.19Å; Y333-H384 AromaticContact CE1-NE2 3.58Å; Y333-H384 AromaticContact CG-NE2 3.97Å; T336-H384 PolarHBondContact OG1-O 3.28Å; T338-H384 WeakPolarHBondContact CB-O 3.28Å; T338-H384 WeakPolarHBondContact CG2-O 3.45Å; T338-H384 PolarHBondContact OG1-O 2.96Å
385	P	92.5	Very high	88	Confident	33 Å²	33	49.5 Å²	49.5	21%	0.214	31%	0.314	C	S	.	.			trans	-55.1	161.4	165.9	-21.1	32.9	0	0	0	111.6	S150 P342	S150-P385 WeakPolarHBondContact OG-CD 3.36Å; P342-P385 HydrophobicContact CG-CB 4.28Å; P342-P385 HydrophobicContact CG-CG 4.21Å
386	P	95.6	Very high	88.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	32%	0.316	C	S	.	.			trans	-53	159.5	175.6	-24.6	34.4	0	0	0	112.8	A297 L298 S332 T338 R340 Y341 T388	A297-P386 HydrophobicContact CB-CB 3.46Å; A297-P386 VanDerWaalsContact CB-CB 3.46Å; A297-P386 HydrophobicContact CB-CG 3.38Å; L298-P386 CarbonylContact O-C 3.55Å; L298-P386 WeakPolarHBondContact O-CA 3.37Å; L298-P386 WeakPolarHBondContact O-CB 3.43Å; S332-P386 PolarHBondContact OG-O 3.43Å; T338-P386 HydrophobicContact CG2-CG 4.11Å; R340-P386 VanDerWaalsContact O-CD 3.3Å; R340-P386 WeakPolarHBondContact O-CD 3.25Å; R340-P386 WeakPolarHBondContact O-CG 3.26Å; Y341-P386 HydrophobicContact CD1-CG 4.35Å; Y341-P386 HydrophobicContact CD2-CG 4.48Å; Y341-P386 HydrophobicContact CG-CG 4.35Å; P386-T388 HydrophobicContact CB-CG2 4.38Å; P386-T388 VanDerWaalsContact O-CG2 3.29Å; P386-T388 WeakPolarHBondContact O-CG2 3.49Å; P386-T388 PolarHBondContact O-N 2.95Å; P386-T388 VanDerWaalsContact O-N 3.17Å; P386-T388 PolarHBondContact O-OG1 3.45Å
387	I	97.2	Very high	89.8	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	31%	0.311	C	S	.	.			trans	-67.2	114.6	175.3	-51.5	-178.9	0	0	0	108.7	L298 M303 I331 S332 P334 T336 I409	L298-I387 HydrophobicContact CB-CB 4.29Å; L298-I387 HydrophobicContact CD2-CB 4.14Å; L298-I387 HydrophobicContact CD2-CG2 4.32Å; L298-I387 HydrophobicContact CG-CB 4.21Å; L298-I387 PolarHBondContact O-N 2.99Å; M303-I387 HydrophobicContact CB-CD1 4.12Å; M303-I387 HydrophobicContact CE-CD1 4.04Å; M303-I387 HydrophobicContact SD-CD1 3.74Å; M303-I387 HydrophobicContact SD-CG2 4.43Å; I331-I387 HydrophobicContact CD1-CG2 4.22Å; S332-I387 WeakPolarHBondContact OG-CA 3.27Å; P334-I387 HydrophobicContact CB-CD1 4.33Å; P334-I387 WeakPolarHBondContact O-CD1 3.35Å; T336-I387 HydrophobicContact CG2-CD1 4.3Å; T336-I387 HydrophobicContact CG2-CG1 3.54Å; I387-I409 HydrophobicContact CG2-CD1 4.07Å; I387-I409 HydrophobicContact CG2-CG1 4.44Å; I387-I409 HydrophobicContact CG2-CG2 4.36Å
388	T	95.2	Very high	90.1	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	33%	0.328	C	S	.	.			trans	-137.8	145.8	-169	53.3	0	0	0	0	111.2	I331 S332 Y341 F345 P386 F413	I331-T388 CarbonylContact C-O 3.55Å; I331-T388 WeakPolarHBondContact CA-O 3.5Å; I331-T388 WeakPolarHBondContact CB-O 2.91Å; S332-T388 WeakPolarHBondContact CB-OG1 3.11Å; S332-T388 PolarHBondContact N-O 3.23Å; S332-T388 PolarHBondContact OG-N 3.44Å; S332-T388 PolarHBondContact OG-OG1 2.76Å; S332-T388 VanDerWaalsContact OG-OG1 3.05Å; Y341-T388 HydrophobicContact CD1-CG2 4.33Å; Y341-T388 HydrophobicContact CE1-CG2 3.34Å; F345-T388 HydrophobicContact CZ-CG2 4.2Å; P386-T388 HydrophobicContact CB-CG2 4.38Å; P386-T388 VanDerWaalsContact O-CG2 3.29Å; P386-T388 WeakPolarHBondContact O-CG2 3.49Å; P386-T388 PolarHBondContact O-N 2.95Å; P386-T388 VanDerWaalsContact O-N 3.17Å; P386-T388 PolarHBondContact O-OG1 3.45Å; T388-F413 HydrophobicContact CG2-CD2 4.09Å; T388-F413 HydrophobicContact CG2-CE2 4.36Å
389	P	95.1	Very high	90.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-71.8	147.1	170.6	31.4	-34.2	0	0	0	111	Y330 I350 L354 Y406 V410 F413	Y330-P389 CarbonylContact O-C 3.49Å; Y330-P389 WeakPolarHBondContact O-CA 3.41Å; I350-P389 WeakPolarHBondContact CD1-O 3.12Å; I350-P389 HydrophobicContact CG2-CG 4.01Å; I350-P389 WeakPolarHBondContact CG2-O 3.37Å; L354-P389 HydrophobicContact CD1-CB 4.29Å; L354-P389 HydrophobicContact CD1-CG 3.82Å; L354-P389 HydrophobicContact CD2-CB 4.31Å; P389-Y406 HydrophobicContact CB-CE2 4.19Å; P389-V410 HydrophobicContact CB-CG2 3.82Å; P389-V410 HydrophobicContact CG-CG2 4.2Å; P389-F413 VanDerWaalsContact CD-CB 3.48Å; P389-F413 HydrophobicContact CG-CB 3.82Å; P389-F413 HydrophobicContact CG-CD1 3.77Å; P389-F413 HydrophobicContact CG-CD2 4.31Å; P389-F413 HydrophobicContact CG-CE1 4.42Å; P389-F413 HydrophobicContact CG-CG 3.71Å
390	M	92	Very high	90.3	Very high	46 Å²	46	51 Å²	51	23%	0.227	32%	0.323	C	S	.	.			trans	-97.9	14.1	-178.5	-55.8	-52.2	-62.3	0	0	113.7	S151 A153 G329 Y330 L392	S151-M390 WeakPolarHBondContact OG-CE 3.34Å; A153-M390 HydrophobicContact CB-CE 3.7Å; G329-M390 VanDerWaalsContact O-CB 3.22Å; G329-M390 WeakPolarHBondContact O-CB 3.44Å; G329-M390 WeakPolarHBondContact O-CG 3.35Å; Y330-M390 PolarHBondContact O-N 3.25Å; M390-L392 VanDerWaalsContact C-N 3.35Å; M390-L392 PolarHBondContact O-N 3.46Å
391	G	86.5	Confident	90.5	Very high	12 Å²	12	49.1 Å²	49.1	12%	0.124	31%	0.312	C	S	.	.	S	Bend	trans	79.3	10.7	177.3	0	0	0	0	0	115.4	G353	G353-G391 CarbonylContact C-O 3.59Å; G353-G391 WeakPolarHBondContact CA-O 3.48Å
392	L	86.4	Confident	90.9	Very high	89 Å²	89	48.3 Å²	48.3	47%	0.466	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-92.9	155.9	176.2	-64.6	-179.5	0	0	0	111.5	Y330 M390 Y406	Y330-L392 HydrophobicContact CD1-CB 3.66Å; Y330-L392 HydrophobicContact CE1-CB 3.9Å; M390-L392 VanDerWaalsContact C-N 3.35Å; M390-L392 PolarHBondContact O-N 3.46Å; L392-Y406 PolarHBondContact O-OH 3.24Å
393	N	84	Confident	91.5	Very high	102 Å²	102	46.4 Å²	46.4	55%	0.545	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-87.6	121.4	171.3	-175.5	11.3	0	0	0	109.8	Y330 L357 E395	Y330-N393 VanDerWaalsContact CE1-C 3.49Å; Y330-N393 WeakPolarHBondContact CE1-O 3.32Å; Y330-N393 PolarHBondContact OH-O 3.48Å; L357-N393 HydrophobicContact CD2-CB 3.8Å; L357-N393 WeakPolarHBondContact CD2-OD1 3.13Å; N393-E395 PolarHBondContact O-N 3.36Å
394	S	80.7	Confident	91.9	Very high	15 Å²	15	48.4 Å²	48.4	11%	0.105	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-63.9	122.6	174.5	163.3	0	0	0	0	111	Y330 Y396	Y330-S394 VanDerWaalsContact CE1-CA 3.49Å; S394-Y396 VanDerWaalsContact C-N 3.29Å; S394-Y396 WeakPolarHBondContact OG-CD2 3.15Å; S394-Y396 PolarHBondContact OG-N 3.06Å
395	E	88	Confident	92.2	Very high	171 Å²	171	48 Å²	48	80%	0.799	28%	0.28	S	S	*	.			trans	-86.1	1.3	175.9	-63.2	-176.7	176.9	0	0	113	Y330 N393	Y330-E395 PolarHBondContact OH-N 2.68Å; Y330-E395 VanDerWaalsContact OH-N 3.1Å; N393-E395 PolarHBondContact O-N 3.36Å
396	Y	90.4	Very high	92.4	Very high	55 Å²	55	46.9 Å²	46.9	22%	0.216	27%	0.272	C	S	.	.	S	Bend	trans	-62.6	140.4	177.7	-75.2	-82	0	0	0	112.1	L325 Q328 Y330 S394 A398 E402	L325-Y396 HydrophobicContact CD2-CD2 3.9Å; L325-Y396 HydrophobicContact CD2-CE2 3.9Å; Q328-Y396 HydrophobicContact CG-CE2 4.37Å; Y330-Y396 HydrophobicContact CD2-CD2 4.37Å; Y330-Y396 HydrophobicContact CD2-CE2 4.03Å; Y330-Y396 HydrophobicContact CE2-CD2 4.02Å; Y330-Y396 AromaticContact CE2-CE2 3.76Å; Y330-Y396 HydrophobicContact CE2-CE2 3.76Å; S394-Y396 VanDerWaalsContact C-N 3.29Å; S394-Y396 WeakPolarHBondContact OG-CD2 3.15Å; S394-Y396 PolarHBondContact OG-N 3.06Å; Y396-A398 PolarHBondContact O-N 3.08Å; Y396-E402 HydrophobicContact CD1-CB 3.62Å; Y396-E402 HydrophobicContact CD1-CG 3.81Å; Y396-E402 HydrophobicContact CD2-CB 3.73Å; Y396-E402 HydrophobicContact CD2-CG 4.35Å; Y396-E402 HydrophobicContact CE1-CB 3.98Å; Y396-E402 HydrophobicContact CE1-CG 3.68Å; Y396-E402 HydrophobicContact CE2-CB 4.09Å; Y396-E402 HydrophobicContact CE2-CG 4.24Å; Y396-E402 HydrophobicContact CG-CB 3.49Å; Y396-E402 VanDerWaalsContact CG-CB 3.49Å; Y396-E402 HydrophobicContact CG-CG 4.16Å
397	P	91.9	Very high	92.4	Very high	95 Å²	95	48 Å²	48	62%	0.617	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-56.2	138.8	179.2	-24.6	33.1	0	0	0	112.4	G399 S400 S403	P397-G399 PolarHBondContact O-N 3.01Å; P397-S400 VanDerWaalsContact O-CB 3.24Å; P397-S400 WeakPolarHBondContact O-CB 3.47Å; P397-S400 PolarHBondContact O-N 3.39Å; P397-S400 VanDerWaalsContact O-N 3.09Å; P397-S400 PolarHBondContact O-OG 3.19Å; P397-S403 VanDerWaalsContact O-CB 3.29Å; P397-S403 WeakPolarHBondContact O-CB 3.38Å
398	A	89.2	Confident	92.3	Very high	98 Å²	98	48.2 Å²	48.2	81%	0.81	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	133.1	175.3	0	0	0	0	0	111	Y396 S400	Y396-A398 PolarHBondContact O-N 3.08Å; A398-S400 VanDerWaalsContact C-N 3.31Å; A398-S400 PolarHBondContact O-N 3.12Å
399	G	90.5	Very high	92.4	Very high	45 Å²	45	48 Å²	48	46%	0.464	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-9	-179.6	0	0	0	0	0	115.5	P397 K404	P397-G399 PolarHBondContact O-N 3.01Å; G399-K404 WeakPolarHBondContact O-CE 3.44Å; G399-K404 PolarHBondContact O-NZ 2.63Å
400	S	96.2	Very high	92.4	Very high	27 Å²	27	48 Å²	48	19%	0.189	28%	0.28	C	S	.	.	S	Bend	trans	-60.7	160.6	166.6	62.7	0	0	0	0	111.6	P397 A398 E402 S403 K404	P397-S400 VanDerWaalsContact O-CB 3.24Å; P397-S400 WeakPolarHBondContact O-CB 3.47Å; P397-S400 PolarHBondContact O-N 3.39Å; P397-S400 VanDerWaalsContact O-N 3.09Å; P397-S400 PolarHBondContact O-OG 3.19Å; A398-S400 VanDerWaalsContact C-N 3.31Å; A398-S400 PolarHBondContact O-N 3.12Å; S400-E402 VanDerWaalsContact C-N 3.29Å; S400-E402 PolarHBondContact O-N 2.67Å; S400-S403 PolarHBondContact O-N 2.83Å; S400-S403 WeakPolarHBondContact OG-CB 3.14Å; S400-S403 PolarHBondContact OG-N 2.79Å; S400-S403 VanDerWaalsContact OG-N 3.13Å; S400-K404 WeakPolarHBondContact O-CG 3.45Å; S400-K404 PolarHBondContact O-N 3.18Å
401	N	97.1	Very high	92.4	Very high	64 Å²	64	47 Å²	47	34%	0.342	28%	0.275	S	S	.	.	H	α-helix	trans	-61.8	-42.2	178.2	-66.1	-5.5	0	0	0	110.6	L313 A321 K404 L405	L313-N401 HydrophobicContact CD1-CB 4.34Å; L313-N401 HydrophobicContact CD2-CB 3.81Å; L313-N401 WeakPolarHBondContact CD2-OD1 3.21Å; A321-N401 HydrophobicContact CB-CB 4.12Å; N401-K404 PolarHBondContact O-N 3.09Å; N401-L405 VanDerWaalsContact O-CB 3.28Å; N401-L405 WeakPolarHBondContact O-CB 2.95Å; N401-L405 PolarHBondContact O-N 2.89Å
402	E	97.7	Very high	92.8	Very high	32 Å²	32	46.6 Å²	46.6	15%	0.15	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-47.6	176.6	-65.8	84.3	172.3	0	0	111.6	A321 H324 L325 Y396 S400 L405 Y406	A321-E402 HydrophobicContact CB-CG 4.04Å; H324-E402 HydrophobicContact CB-CG 4.11Å; H324-E402 IonicContact CE1-OE1 2.82Å; H324-E402 IonicContact CG-OE1 3.59Å; H324-E402 IonicContact ND1-OE1 3.39Å; H324-E402 PolarHBondContact ND1-OE1 2.87Å; L325-E402 HydrophobicContact CD2-CB 4.14Å; L325-E402 HydrophobicContact CG-CB 4.31Å; Y396-E402 HydrophobicContact CD1-CB 3.62Å; Y396-E402 HydrophobicContact CD1-CG 3.81Å; Y396-E402 HydrophobicContact CD2-CB 3.73Å; Y396-E402 HydrophobicContact CD2-CG 4.35Å; Y396-E402 HydrophobicContact CE1-CB 3.98Å; Y396-E402 HydrophobicContact CE1-CG 3.68Å; Y396-E402 HydrophobicContact CE2-CB 4.09Å; Y396-E402 HydrophobicContact CE2-CG 4.24Å; Y396-E402 HydrophobicContact CG-CB 3.49Å; Y396-E402 VanDerWaalsContact CG-CB 3.49Å; Y396-E402 HydrophobicContact CG-CG 4.16Å; S400-E402 VanDerWaalsContact C-N 3.29Å; S400-E402 PolarHBondContact O-N 2.67Å; E402-L405 PolarHBondContact O-N 2.88Å; E402-Y406 VanDerWaalsContact O-CB 3.22Å; E402-Y406 WeakPolarHBondContact O-CB 3.21Å; E402-Y406 PolarHBondContact O-N 2.99Å
403	S	95.8	Very high	93.1	Very high	29 Å²	29	42.5 Å²	42.5	20%	0.203	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-44.7	178.6	172.7	0	0	0	0	112.2	P397 S400 Y406 S407	P397-S403 VanDerWaalsContact O-CB 3.29Å; P397-S403 WeakPolarHBondContact O-CB 3.38Å; S400-S403 PolarHBondContact O-N 2.83Å; S400-S403 WeakPolarHBondContact OG-CB 3.14Å; S400-S403 PolarHBondContact OG-N 2.79Å; S400-S403 VanDerWaalsContact OG-N 3.13Å; S403-Y406 PolarHBondContact O-N 3.26Å; S403-S407 PolarHBondContact O-N 3.24Å
404	K	95.9	Very high	93.4	Very high	91 Å²	91	37.6 Å²	37.6	40%	0.396	22%	0.222	S	C	.	.	H	α-helix	trans	-62.1	-47.3	177.3	-72.7	171.3	178.2	167.4	0	111.7	G399 S400 N401 Y408	G399-K404 WeakPolarHBondContact O-CE 3.44Å; G399-K404 PolarHBondContact O-NZ 2.63Å; S400-K404 WeakPolarHBondContact O-CG 3.45Å; S400-K404 PolarHBondContact O-N 3.18Å; N401-K404 PolarHBondContact O-N 3.09Å; K404-Y408 PolarHBondContact O-N 3.02Å; K404-Y408 VanDerWaalsContact O-N 3.15Å
405	L	97.8	Very high	93.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-40.6	-179.2	-173.2	63	0	0	0	111.4	M303 A307 L311 L313 A318 A321 A322 L325 N401 E402 Y408 I409	M303-L405 HydrophobicContact CG-CD1 3.97Å; M303-L405 HydrophobicContact SD-CD1 4.38Å; M303-L405 HydrophobicContact SD-CD2 4.33Å; A307-L405 HydrophobicContact CB-CD1 4.19Å; L311-L405 HydrophobicContact CD1-CD1 4.16Å; L313-L405 HydrophobicContact CD1-CB 4.45Å; A318-L405 WeakPolarHBondContact O-CD2 3.3Å; A321-L405 HydrophobicContact CB-CD2 3.97Å; A322-L405 HydrophobicContact CB-CD2 3.85Å; L325-L405 HydrophobicContact CD1-CB 4.39Å; L325-L405 HydrophobicContact CD1-CD2 4.45Å; L325-L405 HydrophobicContact CD1-CG 4.46Å; N401-L405 VanDerWaalsContact O-CB 3.28Å; N401-L405 WeakPolarHBondContact O-CB 2.95Å; N401-L405 PolarHBondContact O-N 2.89Å; E402-L405 PolarHBondContact O-N 2.88Å; L405-Y408 HydrophobicContact CD1-CD1 4.28Å; L405-Y408 PolarHBondContact O-N 2.82Å; L405-I409 HydrophobicContact CG-CD1 4.02Å; L405-I409 WeakPolarHBondContact O-CG1 3.21Å; L405-I409 PolarHBondContact O-N 3.05Å
406	Y	97.2	Very high	93.9	Very high	9 Å²	9	28.8 Å²	28.8	4%	0.035	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-46.8	176.7	-174.7	-111.6	0	0	0	112.3	L325 I331 P389 L392 E402 S403 Y408 I409 V410	L325-Y406 HydrophobicContact CD1-CD2 4.44Å; L325-Y406 HydrophobicContact CD2-CD2 4.18Å; L325-Y406 HydrophobicContact CD2-CG 4.25Å; I331-Y406 HydrophobicContact CG2-CD2 3.85Å; I331-Y406 HydrophobicContact CG2-CE2 3.95Å; P389-Y406 HydrophobicContact CB-CE2 4.19Å; L392-Y406 PolarHBondContact O-OH 3.24Å; E402-Y406 VanDerWaalsContact O-CB 3.22Å; E402-Y406 WeakPolarHBondContact O-CB 3.21Å; E402-Y406 PolarHBondContact O-N 2.99Å; S403-Y406 PolarHBondContact O-N 3.26Å; Y406-Y408 VanDerWaalsContact C-N 3.3Å; Y406-Y408 PolarHBondContact O-N 3.08Å; Y406-I409 PolarHBondContact O-N 3.48Å; Y406-V410 HydrophobicContact CD1-CG2 4.25Å; Y406-V410 HydrophobicContact CD2-CG2 4.46Å; Y406-V410 HydrophobicContact CE1-CG2 3.8Å; Y406-V410 HydrophobicContact CE2-CG2 4Å; Y406-V410 WeakPolarHBondContact O-CG2 3.47Å; Y406-V410 PolarHBondContact O-N 2.75Å
407	S	94.7	Very high	93.2	Very high	25 Å²	25	26.1 Å²	26.1	18%	0.175	17%	0.168	C	C	.	.	H	α-helix	trans	-57.3	-44.3	176.1	176	0	0	0	0	111	E359 S403 V410 Q411	E359-S407 PolarHBondContact OE1-OG 3.31Å; S403-S407 PolarHBondContact O-N 3.24Å; S407-V410 PolarHBondContact O-N 3.19Å; S407-Q411 WeakPolarHBondContact O-CB 3.3Å; S407-Q411 VanDerWaalsContact O-CG 3.26Å; S407-Q411 WeakPolarHBondContact O-CG 3.15Å; S407-Q411 PolarHBondContact O-N 3.34Å; S407-Q411 PolarHBondContact OG-NE2 3.2Å; S407-Q411 VanDerWaalsContact OG-NE2 3.17Å
408	Y	96.2	Very high	91.7	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-61.1	-47.1	174	166.5	-116.6	0	0	0	113	L298 V306 L311 K404 L405 Y406 V410 Q411 H412 W458	L298-Y408 HydrophobicContact CD1-CE1 4.21Å; L298-Y408 VanDerWaalsContact CD1-OH 3.31Å; L298-Y408 WeakPolarHBondContact CD1-OH 3.44Å; L298-Y408 HydrophobicContact CD2-CE1 4.11Å; V306-Y408 HydrophobicContact CB-CE1 3.87Å; V306-Y408 HydrophobicContact CB-CE2 4.19Å; V306-Y408 HydrophobicContact CG1-CD1 4.26Å; V306-Y408 HydrophobicContact CG1-CD2 3.92Å; V306-Y408 HydrophobicContact CG1-CE1 3.88Å; V306-Y408 HydrophobicContact CG1-CE2 3.54Å; V306-Y408 HydrophobicContact CG1-CG 4.27Å; V306-Y408 HydrophobicContact CG2-CE2 4.45Å; V306-Y408 WeakPolarHBondContact CG2-OH 3.42Å; L311-Y408 HydrophobicContact CD1-CG 4.48Å; K404-Y408 PolarHBondContact O-N 3.02Å; K404-Y408 VanDerWaalsContact O-N 3.15Å; L405-Y408 HydrophobicContact CD1-CD1 4.28Å; L405-Y408 PolarHBondContact O-N 2.82Å; Y406-Y408 VanDerWaalsContact C-N 3.3Å; Y406-Y408 PolarHBondContact O-N 3.08Å; Y408-V410 VanDerWaalsContact C-N 3.27Å; Y408-V410 PolarHBondContact O-N 2.84Å; Y408-Q411 PolarHBondContact O-N 2.97Å; Y408-H412 HydrophobicContact CD2-CB 4.4Å; Y408-H412 HydrophobicContact CE2-CB 3.84Å; Y408-H412 AromaticContact CE2-ND1 3.8Å; Y408-H412 AromaticContact CZ-ND1 3.72Å; Y408-H412 WeakPolarHBondContact O-CB 3.31Å; Y408-H412 PolarHBondContact O-N 3.4Å; Y408-H412 PolarHBondContact OH-ND1 3.45Å; Y408-W458 AromaticContact CD2-CH2 3.74Å; Y408-W458 HydrophobicContact CD2-CH2 3.74Å; Y408-W458 AromaticContact CD2-CZ2 3.74Å; Y408-W458 HydrophobicContact CD2-CZ2 3.74Å; Y408-W458 HydrophobicContact CE2-CH2 4.45Å; Y408-W458 AromaticContact CE2-CZ2 4Å; Y408-W458 HydrophobicContact CE2-CZ2 4Å
409	I	96.9	Very high	89.7	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.1	-41.3	179.2	-69.6	167.5	0	0	0	110.6	L298 M303 I331 I387 L405 Y406 F413	L298-I409 HydrophobicContact CD2-CG1 3.92Å; M303-I409 HydrophobicContact SD-CD1 4.25Å; I331-I409 HydrophobicContact CD1-CD1 3.85Å; I331-I409 HydrophobicContact CG2-CD1 4.02Å; I331-I409 HydrophobicContact CG2-CG2 4.01Å; I387-I409 HydrophobicContact CG2-CD1 4.07Å; I387-I409 HydrophobicContact CG2-CG1 4.44Å; I387-I409 HydrophobicContact CG2-CG2 4.36Å; L405-I409 HydrophobicContact CG-CD1 4.02Å; L405-I409 WeakPolarHBondContact O-CG1 3.21Å; L405-I409 PolarHBondContact O-N 3.05Å; Y406-I409 PolarHBondContact O-N 3.48Å; I409-F413 VanDerWaalsContact O-CB 3.31Å; I409-F413 WeakPolarHBondContact O-CB 3.42Å; I409-F413 PolarHBondContact O-N 2.94Å
410	V	94.9	Very high	87.7	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-49.4	175	174.3	0	0	0	0	111.2	L354 F360 P389 Y406 S407 Y408 H412 F413 L414	L354-V410 HydrophobicContact CD1-CG1 3.94Å; L354-V410 HydrophobicContact CD2-CG1 4.13Å; L354-V410 HydrophobicContact CD2-CG2 3.87Å; F360-V410 HydrophobicContact CD1-CG1 4.22Å; F360-V410 HydrophobicContact CD2-CB 4.42Å; F360-V410 HydrophobicContact CD2-CG1 3.44Å; F360-V410 VanDerWaalsContact CD2-CG1 3.44Å; F360-V410 HydrophobicContact CE1-CG1 4.17Å; F360-V410 HydrophobicContact CE2-CB 3.87Å; F360-V410 HydrophobicContact CE2-CG1 3.37Å; F360-V410 HydrophobicContact CE2-CG2 4.44Å; F360-V410 HydrophobicContact CG-CG1 3.88Å; F360-V410 HydrophobicContact CZ-CB 4.05Å; F360-V410 HydrophobicContact CZ-CG1 3.75Å; P389-V410 HydrophobicContact CB-CG2 3.82Å; P389-V410 HydrophobicContact CG-CG2 4.2Å; Y406-V410 HydrophobicContact CD1-CG2 4.25Å; Y406-V410 HydrophobicContact CD2-CG2 4.46Å; Y406-V410 HydrophobicContact CE1-CG2 3.8Å; Y406-V410 HydrophobicContact CE2-CG2 4Å; Y406-V410 WeakPolarHBondContact O-CG2 3.47Å; Y406-V410 PolarHBondContact O-N 2.75Å; S407-V410 PolarHBondContact O-N 3.19Å; Y408-V410 VanDerWaalsContact C-N 3.27Å; Y408-V410 PolarHBondContact O-N 2.84Å; V410-H412 VanDerWaalsContact C-N 3.32Å; V410-H412 PolarHBondContact O-N 3Å; V410-F413 PolarHBondContact O-N 3.35Å; V410-L414 HydrophobicContact CG1-CD1 3.92Å; V410-L414 HydrophobicContact CG1-CG 4.3Å; V410-L414 VanDerWaalsContact O-CG 3.29Å; V410-L414 WeakPolarHBondContact O-CG 3.41Å; V410-L414 PolarHBondContact O-N 3.38Å
411	Q	93.3	Very high	85.8	Confident	25 Å²	25	20.3 Å²	20.3	12%	0.117	10%	0.102	C	C	.	.	H	α-helix	trans	-58.8	-43.5	178	-72.1	173.2	15.8	0	0	111.8	E359 F360 S407 Y408 L414 A415 I455 L456	E359-Q411 PolarHBondContact OE1-NE2 3.44Å; F360-Q411 HydrophobicContact CE1-CG 3.53Å; F360-Q411 HydrophobicContact CZ-CG 4.03Å; S407-Q411 WeakPolarHBondContact O-CB 3.3Å; S407-Q411 VanDerWaalsContact O-CG 3.26Å; S407-Q411 WeakPolarHBondContact O-CG 3.15Å; S407-Q411 PolarHBondContact O-N 3.34Å; S407-Q411 PolarHBondContact OG-NE2 3.2Å; S407-Q411 VanDerWaalsContact OG-NE2 3.17Å; Y408-Q411 PolarHBondContact O-N 2.97Å; Q411-L414 PolarHBondContact O-N 2.91Å; Q411-A415 VanDerWaalsContact O-CB 3.24Å; Q411-A415 WeakPolarHBondContact O-CB 3.2Å; Q411-A415 PolarHBondContact O-N 2.65Å; Q411-I455 HydrophobicContact CB-CG2 3.9Å; Q411-I455 HydrophobicContact CG-CG2 4.19Å; Q411-I455 WeakPolarHBondContact O-CG2 3.24Å; Q411-L456 HydrophobicContact CB-CD2 3.83Å
412	H	94.2	Very high	84.6	Confident	3 Å²	3	18.5 Å²	18.5	1%	0.014	9%	0.094	C	C	.	.	H	α-helix	trans	-65.2	-44.1	177.5	-166.4	103.1	0	0	0	111.4	I296 Y408 V410 L414 A415 T416	I296-H412 PolarHBondContact O-NE2 2.65Å; Y408-H412 HydrophobicContact CD2-CB 4.4Å; Y408-H412 HydrophobicContact CE2-CB 3.84Å; Y408-H412 AromaticContact CE2-ND1 3.8Å; Y408-H412 AromaticContact CZ-ND1 3.72Å; Y408-H412 WeakPolarHBondContact O-CB 3.31Å; Y408-H412 PolarHBondContact O-N 3.4Å; Y408-H412 PolarHBondContact OH-ND1 3.45Å; V410-H412 VanDerWaalsContact C-N 3.32Å; V410-H412 PolarHBondContact O-N 3Å; H412-L414 PolarHBondContact O-N 3.13Å; H412-A415 WeakPolarHBondContact O-CB 3.45Å; H412-A415 PolarHBondContact O-N 2.78Å; H412-T416 WeakPolarHBondContact O-CG2 3.47Å; H412-T416 PolarHBondContact O-N 3.13Å; H412-T416 VanDerWaalsContact O-N 3.07Å
413	F	93.2	Very high	84.1	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.009	10%	0.1	C	C	.	.	H	α-helix	trans	-57.3	-51.1	174.8	172.1	-99.6	0	0	0	111.8	Y341 F345 F347 I350 L351 L354 T388 P389 I409 V410 A415 T416 A417	Y341-F413 HydrophobicContact CE1-CD2 4.33Å; Y341-F413 HydrophobicContact CE1-CE2 4.11Å; Y341-F413 VanDerWaalsContact OH-CD2 3.24Å; Y341-F413 WeakPolarHBondContact OH-CD2 3.32Å; F345-F413 HydrophobicContact CE1-CE2 4.18Å; F347-F413 AromaticContact CD1-CE2 3.7Å; F347-F413 HydrophobicContact CD1-CE2 3.7Å; F347-F413 AromaticContact CD1-CZ 3.56Å; F347-F413 HydrophobicContact CD1-CZ 3.56Å; F347-F413 AromaticContact CE1-CE2 3.87Å; F347-F413 HydrophobicContact CE1-CE2 3.87Å; F347-F413 HydrophobicContact CE1-CZ 4.22Å; I350-F413 HydrophobicContact CB-CE1 4.39Å; I350-F413 HydrophobicContact CB-CZ 4.18Å; I350-F413 HydrophobicContact CD1-CE2 4.47Å; I350-F413 HydrophobicContact CD1-CZ 4.24Å; I350-F413 HydrophobicContact CG2-CD1 4.33Å; I350-F413 HydrophobicContact CG2-CE1 3.6Å; I350-F413 HydrophobicContact CG2-CZ 3.73Å; L351-F413 HydrophobicContact CD2-CE1 3.91Å; L351-F413 HydrophobicContact CG-CE1 4.35Å; L354-F413 HydrophobicContact CD1-CD1 4.2Å; L354-F413 HydrophobicContact CD1-CE1 4.35Å; T388-F413 HydrophobicContact CG2-CD2 4.09Å; T388-F413 HydrophobicContact CG2-CE2 4.36Å; P389-F413 VanDerWaalsContact CD-CB 3.48Å; P389-F413 HydrophobicContact CG-CB 3.82Å; P389-F413 HydrophobicContact CG-CD1 3.77Å; P389-F413 HydrophobicContact CG-CD2 4.31Å; P389-F413 HydrophobicContact CG-CE1 4.42Å; P389-F413 HydrophobicContact CG-CG 3.71Å; I409-F413 VanDerWaalsContact O-CB 3.31Å; I409-F413 WeakPolarHBondContact O-CB 3.42Å; I409-F413 PolarHBondContact O-N 2.94Å; V410-F413 PolarHBondContact O-N 3.35Å; F413-A415 VanDerWaalsContact C-N 3.27Å; F413-A415 PolarHBondContact O-N 3.42Å; F413-T416 PolarHBondContact O-N 3.07Å; F413-T416 PolarHBondContact O-OG1 2.95Å; F413-A417 PolarHBondContact O-N 3.38Å
414	L	90.1	Very high	83.8	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.9	-36.8	178.1	-62.9	173.9	0	0	0	111.7	L351 F360 I364 M367 V410 Q411 H412 T416 A417 S418 S421 I455	L351-L414 HydrophobicContact CD2-CD2 3.39Å; F360-L414 HydrophobicContact CB-CD1 3.89Å; F360-L414 HydrophobicContact CD1-CD1 3.88Å; F360-L414 HydrophobicContact CG-CD1 3.95Å; I364-L414 HydrophobicContact CD1-CD2 4.24Å; I364-L414 HydrophobicContact CG1-CD1 4.39Å; I364-L414 HydrophobicContact CG1-CD2 3.83Å; M367-L414 HydrophobicContact CE-CD2 4.45Å; M367-L414 HydrophobicContact SD-CD2 4.13Å; V410-L414 HydrophobicContact CG1-CD1 3.92Å; V410-L414 HydrophobicContact CG1-CG 4.3Å; V410-L414 VanDerWaalsContact O-CG 3.29Å; V410-L414 WeakPolarHBondContact O-CG 3.41Å; V410-L414 PolarHBondContact O-N 3.38Å; Q411-L414 PolarHBondContact O-N 2.91Å; H412-L414 PolarHBondContact O-N 3.13Å; L414-T416 PolarHBondContact O-N 3.43Å; L414-A417 PolarHBondContact O-N 3.38Å; L414-S418 VanDerWaalsContact O-CB 3.22Å; L414-S418 WeakPolarHBondContact O-CB 3.34Å; L414-S421 PolarHBondContact O-OG 2.81Å; L414-I455 HydrophobicContact CB-CD1 3.78Å; L414-I455 HydrophobicContact CB-CG2 4.33Å
415	A	89.9	Confident	83.7	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.2	-19.4	174.1	0	0	0	0	0	113.7	P295 Q411 H412 F413 S421 F452 L456	P295-A415 HydrophobicContact CG-CB 4.07Å; Q411-A415 VanDerWaalsContact O-CB 3.24Å; Q411-A415 WeakPolarHBondContact O-CB 3.2Å; Q411-A415 PolarHBondContact O-N 2.65Å; H412-A415 WeakPolarHBondContact O-CB 3.45Å; H412-A415 PolarHBondContact O-N 2.78Å; F413-A415 VanDerWaalsContact C-N 3.27Å; F413-A415 PolarHBondContact O-N 3.42Å; A415-S421 WeakPolarHBondContact CA-OG 3.26Å; A415-S421 WeakPolarHBondContact O-CB 3.43Å; A415-S421 PolarHBondContact O-OG 2.76Å; A415-F452 HydrophobicContact CB-CB 4.32Å; A415-F452 HydrophobicContact CB-CD2 4.37Å; A415-L456 HydrophobicContact CB-CD1 3.75Å; A415-L456 HydrophobicContact CB-CG 3.92Å
416	T	88.1	Confident	83.6	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-91.3	-43.4	175	64.3	0	0	0	0	112	K294 P295 I296 Y341 P375 H412 F413 L414 S418	K294-T416 PolarHBondContact NZ-O 3.2Å; P295-T416 HydrophobicContact CG-CG2 4.2Å; I296-T416 WeakPolarHBondContact O-CG2 3.42Å; Y341-T416 PolarHBondContact OH-OG1 2.91Å; P375-T416 WeakPolarHBondContact CG-O 3.5Å; H412-T416 WeakPolarHBondContact O-CG2 3.47Å; H412-T416 PolarHBondContact O-N 3.13Å; H412-T416 VanDerWaalsContact O-N 3.07Å; F413-T416 PolarHBondContact O-N 3.07Å; F413-T416 PolarHBondContact O-OG1 2.95Å; L414-T416 PolarHBondContact O-N 3.43Å; T416-S418 PolarHBondContact O-N 3.01Å
417	A	75.6	Confident	83.6	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-83.7	-4.7	-164.8	0	0	0	0	0	116.4	F347 M367 F413 L414	F347-A417 HydrophobicContact CD1-CB 3.61Å; F347-A417 HydrophobicContact CE1-CB 3.86Å; M367-A417 HydrophobicContact CE-CB 4.31Å; F413-A417 PolarHBondContact O-N 3.38Å; L414-A417 PolarHBondContact O-N 3.38Å
418	S	61.4	Low	83.6	Confident	2 Å²	2	20.6 Å²	20.6	1%	0.014	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-110.6	146.6	-162.6	173.5	0	0	0	0	114.2	M367 L414 T416 L420 S421	M367-S418 WeakPolarHBondContact CG-OG 3.5Å; M367-S418 WeakPolarHBondContact SD-CB 3.34Å; L414-S418 VanDerWaalsContact O-CB 3.22Å; L414-S418 WeakPolarHBondContact O-CB 3.34Å; T416-S418 PolarHBondContact O-N 3.01Å; S418-L420 VanDerWaalsContact C-N 3.32Å; S418-L420 WeakPolarHBondContact OG-CA 3.42Å; S418-L420 WeakPolarHBondContact OG-CB 3.36Å; S418-L420 PolarHBondContact OG-N 3.46Å; S418-S421 WeakPolarHBondContact CB-OG 3.47Å; S418-S421 CarbonylContact O-C 3.4Å; S418-S421 VanDerWaalsContact O-C 3.24Å; S418-S421 VanDerWaalsContact O-CA 3.29Å; S418-S421 WeakPolarHBondContact O-CA 3.4Å; S418-S421 VanDerWaalsContact O-CB 3.29Å; S418-S421 WeakPolarHBondContact O-CB 3.47Å; S418-S421 PolarHBondContact O-N 2.88Å; S418-S421 PolarHBondContact OG-N 3.1Å
419	H	47.6	Very low	83.6	Confident	95 Å²	95	21.1 Å²	21.1	44%	0.44	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-72.6	-24	165.1	-136.9	-32.6	0	0	0	112.7	H373 S421 S422	H373-H419 AromaticContact CD2-CD2 3.03Å; H373-H419 PolarHBondContact CD2-CD2 2.99Å; H373-H419 AromaticContact CD2-CG 3.74Å; H373-H419 AromaticContact CD2-NE2 3.65Å; H373-H419 AromaticContact NE2-CD2 3.13Å; H373-H419 PolarHBondContact NE2-CD2 3.15Å; H373-H419 AromaticContact NE2-NE2 3.49Å; H373-H419 PolarHBondContact NE2-NE2 3.29Å; H419-S421 PolarHBondContact O-N 2.8Å; H419-S422 PolarHBondContact O-N 2.86Å
420	L	47.8	Very low	83.5	Confident	45 Å²	45	24.7 Å²	24.7	24%	0.236	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-71.8	-11.4	163.4	-93.3	165.9	0	0	0	112.1	N366 S418 G451 F452	N366-L420 HydrophobicContact CB-CD1 3.35Å; S418-L420 VanDerWaalsContact C-N 3.32Å; S418-L420 WeakPolarHBondContact OG-CA 3.42Å; S418-L420 WeakPolarHBondContact OG-CB 3.36Å; S418-L420 PolarHBondContact OG-N 3.46Å; L420-G451 CarbonylContact O-C 3.55Å; L420-G451 VanDerWaalsContact O-CA 3.23Å; L420-G451 WeakPolarHBondContact O-CA 3.48Å; L420-G451 VanDerWaalsContact O-O 3.07Å; L420-F452 PolarHBondContact O-N 3.37Å
421	S	56.4	Low	83.6	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.007	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-96.7	45.5	157.7	-54.2	0	0	0	0	109.9	K294 L414 A415 S418 H419	K294-S421 WeakPolarHBondContact CD-O 3.19Å; L414-S421 PolarHBondContact O-OG 2.81Å; A415-S421 WeakPolarHBondContact CA-OG 3.26Å; A415-S421 WeakPolarHBondContact O-CB 3.43Å; A415-S421 PolarHBondContact O-OG 2.76Å; S418-S421 WeakPolarHBondContact CB-OG 3.47Å; S418-S421 CarbonylContact O-C 3.4Å; S418-S421 VanDerWaalsContact O-C 3.24Å; S418-S421 VanDerWaalsContact O-CA 3.29Å; S418-S421 WeakPolarHBondContact O-CA 3.4Å; S418-S421 VanDerWaalsContact O-CB 3.29Å; S418-S421 WeakPolarHBondContact O-CB 3.47Å; S418-S421 PolarHBondContact O-N 2.88Å; S418-S421 PolarHBondContact OG-N 3.1Å; H419-S421 PolarHBondContact O-N 2.8Å
422	S	72.8	Confident	83.8	Confident	25 Å²	25	24.5 Å²	24.5	18%	0.175	12%	0.121	C	C	.	.	S	Bend	trans	-49.2	148.9	146.6	48.3	0	0	0	0	107.5	H419 C424 D449 G451 F452	H419-S422 PolarHBondContact O-N 2.86Å; S422-C424 PolarHBondContact O-N 2.9Å; S422-D449 PolarHBondContact OG-OD2 2.83Å; S422-D449 VanDerWaalsContact OG-OD2 3.08Å; S422-G451 WeakPolarHBondContact O-CA 3.41Å; S422-G451 WeakPolarHBondContact OG-CA 3.3Å; S422-F452 PolarHBondContact O-N 3.18Å; S422-F452 VanDerWaalsContact O-N 3.07Å
423	D	86.1	Confident	83.9	Confident	50 Å²	50	24.4 Å²	24.4	27%	0.267	12%	0.121	S	C	.	.	P	Polyproline II helix	trans	-51.5	140.1	164.9	-63.6	-25.1	0	0	0	108.7	V291 K292 R293 K294 K425	V291-D423 HydrophobicContact CG1-CB 3.08Å; V291-D423 WeakPolarHBondContact CG1-OD2 3.3Å; K292-D423 CarbonylContact O-C 3.42Å; K292-D423 WeakPolarHBondContact O-CA 3.27Å; K292-D423 WeakPolarHBondContact O-CB 3.23Å; R293-D423 VanDerWaalsContact CA-OD1 3.28Å; R293-D423 WeakPolarHBondContact CA-OD1 3.1Å; K294-D423 PolarHBondContact N-OD1 3.45Å; D423-K425 PolarHBondContact O-N 2.91Å
424	C	90.4	Very high	84.1	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.007	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	124.6	177.7	169.5	0	0	0	0	108.6	V291 K292 S422 D449 P450 F452 T453	V291-C424 CarbonylContact C-O 3.58Å; V291-C424 WeakPolarHBondContact CA-O 3.44Å; K292-C424 HydrophobicContact CB-CB 4.15Å; K292-C424 PolarHBondContact N-O 3.02Å; K292-C424 PolarHBondContact O-N 3.34Å; S422-C424 PolarHBondContact O-N 2.9Å; C424-D449 CarbonylContact C-O 3.46Å; C424-D449 WeakPolarHBondContact CA-O 3.5Å; C424-D449 PolarHBondContact SG-O 2.85Å; C424-P450 VanDerWaalsContact CB-O 3.28Å; C424-P450 WeakPolarHBondContact CB-O 3.49Å; C424-F452 HydrophobicContact CB-CD1 4.32Å; C424-F452 HydrophobicContact CB-CE1 4.16Å; C424-T453 HydrophobicContact CB-CG2 3.86Å
425	K	93.8	Very high	84.5	Confident	94 Å²	94	27.4 Å²	27.4	41%	0.409	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.4	179.3	-57.2	177.8	-177.5	169.9	0	109.6	M289 K290 D423 V448 D449	M289-K425 HydrophobicContact CE-CB 3.92Å; K290-K425 WeakPolarHBondContact O-CA 3.23Å; D423-K425 PolarHBondContact O-N 2.91Å; K425-V448 PolarHBondContact O-N 3.01Å; K425-D449 HydrophobicContact CB-CB 4.1Å; K425-D449 HydrophobicContact CD-CB 4.48Å; K425-D449 HydrophobicContact CG-CB 4.44Å; K425-D449 PolarHBondContact N-O 2.8Å; K425-D449 PolarHBondContact O-N 3.42Å
426	Y	95.5	Very high	84.7	Confident	49 Å²	49	30.6 Å²	30.6	19%	0.192	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.4	177.4	61.8	-81.6	0	0	0	109.8	K290 K292 V445 T446 I461	K290-Y426 HydrophobicContact CB-CD1 4.3Å; K290-Y426 HydrophobicContact CB-CD2 4.01Å; K290-Y426 HydrophobicContact CB-CE1 3.78Å; K290-Y426 HydrophobicContact CB-CE2 3.49Å; K290-Y426 VanDerWaalsContact CB-CE2 3.49Å; K290-Y426 HydrophobicContact CB-CG 4.42Å; K290-Y426 HydrophobicContact CD-CE2 4.03Å; K290-Y426 HydrophobicContact CG-CE2 4.31Å; K290-Y426 PolarHBondContact N-O 3.39Å; K290-Y426 PolarHBondContact O-N 3.33Å; K292-Y426 HydrophobicContact CB-CE1 4.17Å; Y426-V445 HydrophobicContact CD2-CG1 3.66Å; Y426-V445 HydrophobicContact CE2-CG1 4.37Å; Y426-V445 HydrophobicContact CG-CG1 4.27Å; Y426-T446 CarbonylContact C-O 3.58Å; Y426-T446 WeakPolarHBondContact CA-O 3.43Å; Y426-I461 HydrophobicContact CD1-CD1 3.24Å; Y426-I461 HydrophobicContact CD2-CD1 4.42Å; Y426-I461 HydrophobicContact CE1-CD1 3.61Å; Y426-I461 HydrophobicContact CG-CD1 3.69Å
427	C	95.9	Very high	85	Confident	25 Å²	25	37.7 Å²	37.7	17%	0.169	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.7	172.3	-172.6	0	0	0	0	108.2	E288 M289 V445 T446 V448	E288-C427 WeakPolarHBondContact O-CA 3.3Å; M289-C427 HydrophobicContact SD-CB 3.95Å; C427-V445 CarbonylContact O-C 3.57Å; C427-V445 WeakPolarHBondContact O-CA 3.28Å; C427-T446 PolarHBondContact N-O 2.73Å; C427-T446 PolarHBondContact O-N 2.73Å; C427-V448 HydrophobicContact CB-CG2 3.94Å
428	S	95.4	Very high	86.1	Confident	12 Å²	12	38.1 Å²	38.1	8%	0.084	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.3	170.5	-172.2	0	0	0	0	107.1	E288 K290	E288-S428 PolarHBondContact N-O 3.43Å; E288-S428 PolarHBondContact O-N 2.84Å; K290-S428 PolarHBondContact NZ-OG 3.09Å
429	E	95.5	Very high	87.8	Confident	15 Å²	15	41.5 Å²	41.5	7%	0.07	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.9	174.2	-177.4	170.6	-170.3	0	0	109.4	S286 K287 S443 R444 L467	S286-E429 CarbonylContact O-C 3.57Å; S286-E429 VanDerWaalsContact O-CA 3.3Å; S286-E429 WeakPolarHBondContact O-CA 3.43Å; K287-E429 WeakPolarHBondContact CE-OE1 3.49Å; K287-E429 WeakPolarHBondContact CE-OE2 3.06Å; K287-E429 HydrophobicContact CG-CB 4Å; K287-E429 HydrophobicContact CG-CG 3.75Å; K287-E429 IonicContact NZ-OE1 3.3Å; K287-E429 IonicContact NZ-OE2 2.78Å; E429-S443 CarbonylContact O-C 3.46Å; E429-S443 WeakPolarHBondContact O-CA 3.45Å; E429-R444 HydrophobicContact CB-CB 4.47Å; E429-R444 PolarHBondContact N-O 2.97Å; E429-R444 PolarHBondContact O-N 2.65Å; E429-R444 IonicContact OE1-NH2 2.91Å; E429-R444 IonicContact OE2-CZ 3.91Å; E429-R444 VanDerWaalsContact OE2-CZ 3.3Å; E429-R444 IonicContact OE2-NE 3.68Å; E429-R444 PolarHBondContact OE2-NE 3.43Å; E429-R444 IonicContact OE2-NH2 2.69Å; E429-R444 PolarHBondContact OE2-NH2 2.8Å; E429-L467 HydrophobicContact CB-CD1 4.17Å; E429-L467 HydrophobicContact CG-CD1 3.8Å
430	E	95.4	Very high	90.3	Very high	74 Å²	74	37 Å²	37	35%	0.346	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.7	175	-75.2	-176	164.8	0	0	110	S286 L442	S286-E430 PolarHBondContact N-O 3.27Å; S286-E430 PolarHBondContact O-N 3.25Å; S286-E430 PolarHBondContact OG-O 3.37Å; E430-L442 CarbonylContact C-O 3.45Å; E430-L442 VanDerWaalsContact CA-O 3.31Å; E430-L442 WeakPolarHBondContact CA-O 3.49Å
431	I	96.3	Very high	92.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.2	175.9	-57.5	171.8	0	0	0	107.4	V282 S284 V285 C441 L442 L467 L470	V282-I431 HydrophobicContact CG1-CG2 3.96Å; S284-I431 WeakPolarHBondContact O-CA 3.33Å; V285-I431 HydrophobicContact CG1-CG1 4.2Å; V285-I431 HydrophobicContact CG2-CG1 4.31Å; V285-I431 HydrophobicContact CG2-CG2 4.23Å; I431-C441 WeakPolarHBondContact O-CA 3.48Å; I431-L442 HydrophobicContact CB-CB 4.37Å; I431-L442 HydrophobicContact CB-CD1 4.18Å; I431-L442 HydrophobicContact CG2-CD1 4.27Å; I431-L442 PolarHBondContact N-O 3.24Å; I431-L442 PolarHBondContact O-N 3.26Å; I431-L467 HydrophobicContact CD1-CB 4.24Å; I431-L467 HydrophobicContact CD1-CD1 3.93Å; I431-L467 HydrophobicContact CD1-CG 4.5Å; I431-L467 HydrophobicContact CG1-CD1 4.27Å; I431-L470 HydrophobicContact CD1-CB 4.28Å; I431-L470 HydrophobicContact CD1-CD1 4.12Å; I431-L470 HydrophobicContact CG2-CB 4.45Å; I431-L470 HydrophobicContact CG2-CD1 3.95Å
432	I	97.5	Very high	94.4	Very high	20 Å²	20	35.9 Å²	35.9	10%	0.103	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123	175.6	-52.6	-57.1	0	0	0	108.8	L257 L283 S284 Q439 F440 C441	L257-I432 HydrophobicContact CD1-CD1 4.11Å; L283-I432 HydrophobicContact CB-CG2 4.47Å; L283-I432 HydrophobicContact CD1-CG2 4.17Å; L283-I432 PolarHBondContact N-O 3.21Å; S284-I432 PolarHBondContact N-O 3.01Å; S284-I432 PolarHBondContact O-N 2.87Å; S284-I432 WeakPolarHBondContact OG-CB 3.02Å; S284-I432 WeakPolarHBondContact OG-CG1 3.47Å; I432-Q439 HydrophobicContact CG2-CB 4.02Å; I432-Q439 HydrophobicContact CG2-CG 4.21Å; I432-F440 CarbonylContact C-O 3.49Å; I432-F440 WeakPolarHBondContact CA-O 3.48Å; I432-C441 HydrophobicContact CD1-CB 3.83Å
433	I	97.3	Very high	95.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.7	173.8	23.4	171.7	0	0	0	110	L242 V252 A254 V281 V282 Q439 F440 L442 L476	L242-I433 HydrophobicContact CD2-CD1 4.49Å; V252-I433 HydrophobicContact CG1-CD1 4.06Å; A254-I433 HydrophobicContact CB-CD1 3.64Å; A254-I433 HydrophobicContact CB-CG1 4.12Å; V281-I433 CarbonylContact O-C 3.37Å; V281-I433 WeakPolarHBondContact O-CA 3.43Å; V282-I433 HydrophobicContact CB-CG2 4.08Å; V282-I433 HydrophobicContact CG2-CG2 3.6Å; I433-Q439 CarbonylContact O-C 3.55Å; I433-Q439 WeakPolarHBondContact O-CA 3.44Å; I433-F440 HydrophobicContact CG1-CB 4.21Å; I433-F440 PolarHBondContact N-O 3.5Å; I433-F440 PolarHBondContact O-N 3.32Å; I433-L442 HydrophobicContact CD1-CD1 3.6Å; I433-L442 HydrophobicContact CG1-CD1 3.79Å; I433-L476 HydrophobicContact CD1-CD1 4.33Å; I433-L476 HydrophobicContact CG2-CD1 3.95Å
434	Q	97.9	Very high	95.7	Very high	66 Å²	66	37.2 Å²	37.2	31%	0.308	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131	177.3	-177.4	175.1	-38.2	0	0	110.8	A280 V281 L283 D436 E438 Q439	A280-Q434 CarbonylContact C-O 3.57Å; A280-Q434 WeakPolarHBondContact CA-O 3.44Å; V281-Q434 PolarHBondContact N-O 3.26Å; V281-Q434 PolarHBondContact O-N 3.32Å; L283-Q434 HydrophobicContact CD1-CB 3.74Å; L283-Q434 HydrophobicContact CD2-CB 4.06Å; L283-Q434 HydrophobicContact CG-CB 3.72Å; Q434-D436 PolarHBondContact NE2-O 2.98Å; Q434-E438 WeakPolarHBondContact CA-O 3.49Å; Q434-Q439 HydrophobicContact CB-CG 4.41Å; Q434-Q439 HydrophobicContact CG-CG 4.49Å
435	A	97.3	Very high	95.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.4	167.5	0	0	0	0	0	108.4	L242 L274 A280 K437 E438 F440 I478	L242-A435 HydrophobicContact CD1-CB 4.43Å; L242-A435 HydrophobicContact CD2-CB 3.95Å; L274-A435 HydrophobicContact CD2-CB 3.63Å; L274-A435 WeakPolarHBondContact CD2-O 3.29Å; A280-A435 HydrophobicContact CB-CB 4.08Å; A435-K437 PolarHBondContact O-N 3.26Å; A435-K437 VanDerWaalsContact O-N 3.12Å; A435-E438 PolarHBondContact N-O 3.14Å; A435-E438 PolarHBondContact O-N 3.11Å; A435-F440 HydrophobicContact CB-CE2 4.15Å; A435-I478 HydrophobicContact CB-CD1 3.74Å
436	D	95.1	Very high	96	Very high	66 Å²	66	36.5 Å²	36.5	35%	0.353	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-113.2	-169.9	179	39.3	0	0	0	111.3	R273 A277 Q434	R273-D436 WeakPolarHBondContact CB-OD2 3.43Å; R273-D436 IonicContact CZ-OD2 3.11Å; R273-D436 IonicContact NE-OD2 2.83Å; R273-D436 PolarHBondContact NE-OD2 3.4Å; R273-D436 IonicContact NH2-OD1 3.51Å; R273-D436 IonicContact NH2-OD2 2.65Å; R273-D436 PolarHBondContact NH2-OD2 3.13Å; A277-D436 HydrophobicContact CB-CB 4.36Å; Q434-D436 PolarHBondContact NE2-O 2.98Å
437	K	94.9	Very high	95.9	Very high	150 Å²	150	36.6 Å²	36.6	65%	0.652	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.1	8.9	175.6	-56.5	-173.7	-166.6	-178.6	0	113.3	R273 A435	R273-K437 VanDerWaalsContact NH2-CB 3.3Å; A435-K437 PolarHBondContact O-N 3.26Å; A435-K437 VanDerWaalsContact O-N 3.12Å
438	E	97.7	Very high	95.8	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	144.6	-179.6	-61.8	-58.4	133.6	0	0	110.8	W256 R258 I270 L274 Q434 A435 F440	W256-E438 PolarHBondContact NE1-OE2 2.9Å; R258-E438 IonicContact CZ-OE1 2.88Å; R258-E438 IonicContact CZ-OE2 2.76Å; R258-E438 IonicContact NE-OE1 3.18Å; R258-E438 IonicContact NE-OE2 2.67Å; R258-E438 PolarHBondContact NE-OE2 3.4Å; R258-E438 IonicContact NH2-OE1 3.3Å; R258-E438 PolarHBondContact NH2-OE1 2.96Å; R258-E438 IonicContact NH2-OE2 3.13Å; I270-E438 HydrophobicContact CG2-CG 3.63Å; L274-E438 HydrophobicContact CD1-CB 4.4Å; L274-E438 HydrophobicContact CD1-CG 4.25Å; L274-E438 HydrophobicContact CD2-CB 4.21Å; L274-E438 HydrophobicContact CG-CG 4.47Å; Q434-E438 WeakPolarHBondContact CA-O 3.49Å; A435-E438 PolarHBondContact N-O 3.14Å; A435-E438 PolarHBondContact O-N 3.11Å; E438-F440 HydrophobicContact CB-CE2 3.9Å; E438-F440 HydrophobicContact CB-CZ 4.29Å
439	Q	98.1	Very high	95.6	Very high	73 Å²	73	41.2 Å²	41.2	34%	0.341	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146.1	-179.7	-68.4	178.7	-8.4	0	0	110.5	L257 L283 I432 I433 Q434	L257-Q439 HydrophobicContact CB-CB 4.05Å; L257-Q439 VanDerWaalsContact CB-O 3.22Å; L257-Q439 WeakPolarHBondContact CB-O 3.3Å; L257-Q439 HydrophobicContact CD2-CB 3.76Å; L257-Q439 PolarHBondContact N-O 3.46Å; L283-Q439 HydrophobicContact CD1-CG 4.01Å; I432-Q439 HydrophobicContact CG2-CB 4.02Å; I432-Q439 HydrophobicContact CG2-CG 4.21Å; I433-Q439 CarbonylContact O-C 3.55Å; I433-Q439 WeakPolarHBondContact O-CA 3.44Å; Q434-Q439 HydrophobicContact CB-CG 4.41Å; Q434-Q439 HydrophobicContact CG-CG 4.49Å
440	F	98.1	Very high	95.3	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.7	-179.3	-60.6	-96.5	0	0	0	108.9	I240 L242 A254 S255 W256 L274 I432 I433 A435 E438	I240-F440 HydrophobicContact CB-CE1 4.03Å; I240-F440 HydrophobicContact CG2-CE1 3.75Å; I240-F440 HydrophobicContact CG2-CZ 4.13Å; L242-F440 HydrophobicContact CB-CB 4.47Å; L242-F440 HydrophobicContact CB-CD1 3.53Å; L242-F440 HydrophobicContact CB-CD2 4.15Å; L242-F440 HydrophobicContact CB-CE1 3.71Å; L242-F440 HydrophobicContact CB-CE2 4.3Å; L242-F440 HydrophobicContact CB-CG 3.79Å; L242-F440 HydrophobicContact CB-CZ 4.1Å; L242-F440 HydrophobicContact CD2-CD2 3.71Å; L242-F440 HydrophobicContact CD2-CE2 4.04Å; L242-F440 HydrophobicContact CD2-CG 4.03Å; L242-F440 HydrophobicContact CG-CD2 4.47Å; A254-F440 HydrophobicContact CB-CB 3.65Å; S255-F440 CarbonylContact O-C 3.58Å; S255-F440 WeakPolarHBondContact O-CA 3.44Å; W256-F440 VanDerWaalsContact CA-CD1 3.5Å; W256-F440 HydrophobicContact CB-CD1 4Å; W256-F440 HydrophobicContact CB-CE1 3.84Å; W256-F440 AromaticContact CD1-CE1 3.8Å; W256-F440 AromaticContact CD1-CZ 3.96Å; W256-F440 HydrophobicContact CG-CD1 4.49Å; W256-F440 HydrophobicContact CG-CE1 4.05Å; L274-F440 HydrophobicContact CD1-CE2 4.44Å; L274-F440 HydrophobicContact CD1-CZ 3.77Å; L274-F440 HydrophobicContact CD2-CE2 3.88Å; L274-F440 HydrophobicContact CD2-CZ 4Å; I432-F440 CarbonylContact C-O 3.49Å; I432-F440 WeakPolarHBondContact CA-O 3.48Å; I433-F440 HydrophobicContact CG1-CB 4.21Å; I433-F440 PolarHBondContact N-O 3.5Å; I433-F440 PolarHBondContact O-N 3.32Å; A435-F440 HydrophobicContact CB-CE2 4.15Å; E438-F440 HydrophobicContact CB-CE2 3.9Å; E438-F440 HydrophobicContact CB-CZ 4.29Å
441	C	96.4	Very high	94.9	Very high	11 Å²	11	39.5 Å²	39.5	7%	0.074	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.6	-178.3	-175.8	0	0	0	0	110	S255 L257 I431 I432 S443	S255-C441 PolarHBondContact N-O 3.46Å; S255-C441 PolarHBondContact O-N 2.92Å; L257-C441 HydrophobicContact CD1-CB 4.01Å; I431-C441 WeakPolarHBondContact O-CA 3.48Å; I432-C441 HydrophobicContact CD1-CB 3.83Å; C441-S443 PolarHBondContact SG-OG 3.3Å
442	L	95	Very high	94.5	Very high	11 Å²	11	39.5 Å²	39.5	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.2	154.4	-57	99.7	0	0	0	108.6	V252 K253 A254 E430 I431 I433 L467	V252-L442 HydrophobicContact CG1-CD1 3.74Å; V252-L442 HydrophobicContact CG1-CD2 3.46Å; V252-L442 VanDerWaalsContact CG1-CD2 3.46Å; V252-L442 HydrophobicContact CG1-CG 4.18Å; K253-L442 WeakPolarHBondContact O-CD2 3.36Å; A254-L442 HydrophobicContact CB-CD1 3.71Å; A254-L442 HydrophobicContact CB-CG 3.72Å; E430-L442 CarbonylContact C-O 3.45Å; E430-L442 VanDerWaalsContact CA-O 3.31Å; E430-L442 WeakPolarHBondContact CA-O 3.49Å; I431-L442 HydrophobicContact CB-CB 4.37Å; I431-L442 HydrophobicContact CB-CD1 4.18Å; I431-L442 HydrophobicContact CG2-CD1 4.27Å; I431-L442 PolarHBondContact N-O 3.24Å; I431-L442 PolarHBondContact O-N 3.26Å; I433-L442 HydrophobicContact CD1-CD1 3.6Å; I433-L442 HydrophobicContact CG1-CD1 3.79Å; L442-L467 HydrophobicContact CB-CD2 3.48Å; L442-L467 VanDerWaalsContact CB-CD2 3.48Å; L442-L467 HydrophobicContact CD2-CD2 3.92Å; L442-L467 HydrophobicContact CG-CD2 4.36Å
443	S	93.5	Very high	94.2	Very high	62 Å²	62	38.7 Å²	38.7	43%	0.434	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.5	179.4	-21.3	0	0	0	0	109.7	E429 C441	E429-S443 CarbonylContact O-C 3.46Å; E429-S443 WeakPolarHBondContact O-CA 3.45Å; C441-S443 PolarHBondContact SG-OG 3.3Å
444	R	93.6	Very high	93.8	Very high	41 Å²	41	43.3 Å²	43.3	16%	0.155	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.4	167.3	166.3	172.7	72.4	-178.7	-1.6	110	E429 T446 T464 G465 D466 L467	E429-R444 HydrophobicContact CB-CB 4.47Å; E429-R444 PolarHBondContact N-O 2.97Å; E429-R444 PolarHBondContact O-N 2.65Å; E429-R444 IonicContact OE1-NH2 2.91Å; E429-R444 IonicContact OE2-CZ 3.91Å; E429-R444 VanDerWaalsContact OE2-CZ 3.3Å; E429-R444 IonicContact OE2-NE 3.68Å; E429-R444 PolarHBondContact OE2-NE 3.43Å; E429-R444 IonicContact OE2-NH2 2.69Å; E429-R444 PolarHBondContact OE2-NH2 2.8Å; R444-T446 WeakPolarHBondContact CG-OG1 3.44Å; R444-T464 WeakPolarHBondContact CA-OG1 3.43Å; R444-G465 VanDerWaalsContact CD-O 3.24Å; R444-G465 WeakPolarHBondContact CD-O 3.46Å; R444-D466 IonicContact NH1-OD1 3.35Å; R444-L467 HydrophobicContact CB-CD1 3.44Å; R444-L467 VanDerWaalsContact CB-CD1 3.44Å; R444-L467 HydrophobicContact CB-CD2 4.46Å; R444-L467 HydrophobicContact CB-CG 3.55Å
445	V	94.7	Very high	93.4	Very high	32 Å²	32	40.8 Å²	40.8	19%	0.194	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.4	166.3	176	0	0	0	0	107.5	Y426 C427 I461 S463 T464	Y426-V445 HydrophobicContact CD2-CG1 3.66Å; Y426-V445 HydrophobicContact CE2-CG1 4.37Å; Y426-V445 HydrophobicContact CG-CG1 4.27Å; C427-V445 CarbonylContact O-C 3.57Å; C427-V445 WeakPolarHBondContact O-CA 3.28Å; V445-I461 HydrophobicContact CG1-CG2 3.38Å; V445-S463 VanDerWaalsContact O-CA 3.3Å; V445-S463 WeakPolarHBondContact O-CA 3.48Å; V445-S463 PolarHBondContact O-OG 2.99Å; V445-T464 HydrophobicContact CB-CG2 4.28Å; V445-T464 PolarHBondContact N-OG1 3.2Å; V445-T464 PolarHBondContact O-N 3.41Å
446	T	94.5	Very high	93	Very high	49 Å²	49	40.8 Å²	40.8	30%	0.301	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119	174.5	-54.1	0	0	0	0	108.9	Y426 C427 R444 V448	Y426-T446 CarbonylContact C-O 3.58Å; Y426-T446 WeakPolarHBondContact CA-O 3.43Å; C427-T446 PolarHBondContact N-O 2.73Å; C427-T446 PolarHBondContact O-N 2.73Å; R444-T446 WeakPolarHBondContact CG-OG1 3.44Å; T446-V448 PolarHBondContact O-N 2.9Å
447	P	93.5	Very high	92.7	Very high	50 Å²	50	40.9 Å²	40.9	33%	0.325	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	132.8	173.4	-18.5	31.6	0	0	0	109.7	I461	P447-I461 WeakPolarHBondContact CG-O 3.19Å
448	V	93.8	Very high	92.4	Very high	86 Å²	86	38.8 Å²	38.8	52%	0.521	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-49.5	178.9	176.9	0	0	0	0	110	M289 K425 C427 T446	M289-V448 HydrophobicContact CE-CB 3.99Å; M289-V448 HydrophobicContact CE-CG1 4.1Å; M289-V448 HydrophobicContact CE-CG2 3.88Å; M289-V448 HydrophobicContact SD-CG2 4.04Å; K425-V448 PolarHBondContact O-N 3.01Å; C427-V448 HydrophobicContact CB-CG2 3.94Å; T446-V448 PolarHBondContact O-N 2.9Å
449	D	90.8	Very high	92	Very high	48 Å²	48	41.2 Å²	41.2	26%	0.257	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	116.1	173.2	177.8	6.2	0	0	0	108.3	S422 C424 K425 G451	S422-D449 PolarHBondContact OG-OD2 2.83Å; S422-D449 VanDerWaalsContact OG-OD2 3.08Å; C424-D449 CarbonylContact C-O 3.46Å; C424-D449 WeakPolarHBondContact CA-O 3.5Å; C424-D449 PolarHBondContact SG-O 2.85Å; K425-D449 HydrophobicContact CB-CB 4.1Å; K425-D449 HydrophobicContact CD-CB 4.48Å; K425-D449 HydrophobicContact CG-CB 4.44Å; K425-D449 PolarHBondContact N-O 2.8Å; K425-D449 PolarHBondContact O-N 3.42Å; D449-G451 PolarHBondContact O-N 3.45Å; D449-G451 PolarHBondContact OD1-N 2.88Å
450	P	89.3	Confident	91.7	Very high	52 Å²	52	42.5 Å²	42.5	34%	0.338	23%	0.228	S	C	.	.			trans	-62.7	-24	178.7	26	-33.9	0	0	0	112.6	C424 F452 T453 K454	C424-P450 VanDerWaalsContact CB-O 3.28Å; C424-P450 WeakPolarHBondContact CB-O 3.49Å; P450-F452 PolarHBondContact O-N 3.25Å; P450-T453 WeakPolarHBondContact O-CB 3.45Å; P450-T453 PolarHBondContact O-N 2.99Å; P450-T453 PolarHBondContact O-OG1 2.82Å; P450-K454 HydrophobicContact CB-CB 4.42Å; P450-K454 HydrophobicContact CG-CB 4.45Å
451	G	88.4	Confident	91.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	46.7	-133.4	-176.7	0	0	0	0	0	112.2	L420 S422 D449 T453 K454	L420-G451 CarbonylContact O-C 3.55Å; L420-G451 VanDerWaalsContact O-CA 3.23Å; L420-G451 WeakPolarHBondContact O-CA 3.48Å; L420-G451 VanDerWaalsContact O-O 3.07Å; S422-G451 WeakPolarHBondContact O-CA 3.41Å; S422-G451 WeakPolarHBondContact OG-CA 3.3Å; D449-G451 PolarHBondContact O-N 3.45Å; D449-G451 PolarHBondContact OD1-N 2.88Å; G451-T453 PolarHBondContact O-N 3.32Å; G451-K454 WeakPolarHBondContact O-CB 3.47Å; G451-K454 PolarHBondContact O-N 2.68Å
452	F	87.5	Confident	91	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-58.8	-22.5	-177	84.3	-86.3	0	0	0	113.9	K292 R293 K294 P295 A415 L420 S422 C424 P450 K454 I455 L456 K459	K292-F452 HydrophobicContact CD-CZ 4.48Å; K292-F452 HydrophobicContact CG-CE1 4.25Å; K292-F452 HydrophobicContact CG-CZ 4.4Å; K292-F452 WeakPolarHBondContact O-CE1 3.39Å; R293-F452 WeakPolarHBondContact O-CE1 3.17Å; K294-F452 HydrophobicContact CB-CB 4.06Å; K294-F452 HydrophobicContact CB-CD1 3.84Å; K294-F452 HydrophobicContact CB-CE1 4.5Å; K294-F452 HydrophobicContact CB-CG 3.97Å; P295-F452 VanDerWaalsContact CD-CD2 3.49Å; P295-F452 HydrophobicContact CG-CD2 4.4Å; A415-F452 HydrophobicContact CB-CB 4.32Å; A415-F452 HydrophobicContact CB-CD2 4.37Å; L420-F452 PolarHBondContact O-N 3.37Å; S422-F452 PolarHBondContact O-N 3.18Å; S422-F452 VanDerWaalsContact O-N 3.07Å; C424-F452 HydrophobicContact CB-CD1 4.32Å; C424-F452 HydrophobicContact CB-CE1 4.16Å; P450-F452 PolarHBondContact O-N 3.25Å; F452-K454 PolarHBondContact O-N 2.94Å; F452-I455 PolarHBondContact O-N 2.93Å; F452-I455 VanDerWaalsContact O-N 3.08Å; F452-L456 HydrophobicContact CD2-CB 4.4Å; F452-L456 HydrophobicContact CD2-CD1 4.05Å; F452-L456 HydrophobicContact CE2-CB 4.5Å; F452-L456 HydrophobicContact CE2-CD1 4.16Å; F452-L456 PolarHBondContact O-N 3.44Å; F452-L456 VanDerWaalsContact O-N 3.11Å; F452-K459 HydrophobicContact CE2-CB 4.18Å; F452-K459 HydrophobicContact CE2-CD 3.77Å; F452-K459 HydrophobicContact CZ-CB 4.43Å; F452-K459 HydrophobicContact CZ-CD 4.21Å
453	T	91.2	Very high	90.7	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.012	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-72.5	-10	180	71.9	0	0	0	0	112.9	C424 P450 G451 I455 L456 S457 K459 Q460	C424-T453 HydrophobicContact CB-CG2 3.86Å; P450-T453 WeakPolarHBondContact O-CB 3.45Å; P450-T453 PolarHBondContact O-N 2.99Å; P450-T453 PolarHBondContact O-OG1 2.82Å; G451-T453 PolarHBondContact O-N 3.32Å; T453-I455 PolarHBondContact O-N 3.5Å; T453-L456 CarbonylContact O-C 3.59Å; T453-S457 WeakPolarHBondContact O-CA 3.31Å; T453-S457 PolarHBondContact O-N 3.48Å; T453-K459 HydrophobicContact CG2-CB 4.05Å; T453-K459 VanDerWaalsContact CG2-O 3.31Å; T453-K459 WeakPolarHBondContact CG2-O 3.46Å; T453-Q460 WeakPolarHBondContact O-CG 3.41Å; T453-Q460 PolarHBondContact O-NE2 2.96Å
454	K	88.5	Confident	90.2	Very high	99 Å²	99	51.5 Å²	51.5	43%	0.43	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-64.6	-29.9	167.6	-161	-178.9	179.4	176.6	0	111.9	P450 G451 F452	P450-K454 HydrophobicContact CB-CB 4.42Å; P450-K454 HydrophobicContact CG-CB 4.45Å; G451-K454 WeakPolarHBondContact O-CB 3.47Å; G451-K454 PolarHBondContact O-N 2.68Å; F452-K454 PolarHBondContact O-N 2.94Å
455	I	89	Confident	89.5	Confident	12 Å²	12	52 Å²	52	6%	0.062	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-52.5	177.7	-56.6	174.8	0	0	0	109.4	Q411 L414 F452 T453 S457	Q411-I455 HydrophobicContact CB-CG2 3.9Å; Q411-I455 HydrophobicContact CG-CG2 4.19Å; Q411-I455 WeakPolarHBondContact O-CG2 3.24Å; L414-I455 HydrophobicContact CB-CD1 3.78Å; L414-I455 HydrophobicContact CB-CG2 4.33Å; F452-I455 PolarHBondContact O-N 2.93Å; F452-I455 VanDerWaalsContact O-N 3.08Å; T453-I455 PolarHBondContact O-N 3.5Å; I455-S457 VanDerWaalsContact C-N 3.34Å; I455-S457 PolarHBondContact O-N 2.84Å; I455-S457 VanDerWaalsContact O-N 3.14Å
456	L	89.8	Confident	88.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	33%	0.331	C	S	.	.	S	Bend	trans	-88.2	74.9	174.7	-63.1	178.1	0	0	0	109.9	P295 Q411 A415 F452 T453 W458 K459	P295-L456 HydrophobicContact CG-CD1 4.15Å; Q411-L456 HydrophobicContact CB-CD2 3.83Å; A415-L456 HydrophobicContact CB-CD1 3.75Å; A415-L456 HydrophobicContact CB-CG 3.92Å; F452-L456 HydrophobicContact CD2-CB 4.4Å; F452-L456 HydrophobicContact CD2-CD1 4.05Å; F452-L456 HydrophobicContact CE2-CB 4.5Å; F452-L456 HydrophobicContact CE2-CD1 4.16Å; F452-L456 PolarHBondContact O-N 3.44Å; F452-L456 VanDerWaalsContact O-N 3.11Å; T453-L456 CarbonylContact O-C 3.59Å; L456-W458 VanDerWaalsContact C-N 3.28Å; L456-W458 HydrophobicContact CD2-CH2 4.04Å; L456-W458 HydrophobicContact CD2-CZ2 3.7Å; L456-W458 PolarHBondContact O-N 3.42Å; L456-K459 HydrophobicContact CB-CB 4.44Å; L456-K459 HydrophobicContact CD1-CD 4.39Å; L456-K459 WeakPolarHBondContact O-CB 3.4Å; L456-K459 PolarHBondContact O-N 2.92Å
457	S	88.5	Confident	88.5	Confident	68 Å²	68	56.1 Å²	56.1	48%	0.476	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-58	-34.5	-171.2	60.2	0	0	0	0	113.9	T453 I455 K459 Q460	T453-S457 WeakPolarHBondContact O-CA 3.31Å; T453-S457 PolarHBondContact O-N 3.48Å; I455-S457 VanDerWaalsContact C-N 3.34Å; I455-S457 PolarHBondContact O-N 2.84Å; I455-S457 VanDerWaalsContact O-N 3.14Å; S457-K459 PolarHBondContact O-N 2.92Å; S457-K459 VanDerWaalsContact O-N 3.12Å; S457-Q460 VanDerWaalsContact O-CB 3.29Å; S457-Q460 WeakPolarHBondContact O-CB 3.36Å; S457-Q460 WeakPolarHBondContact O-CG 3.3Å; S457-Q460 PolarHBondContact O-N 3.35Å
458	W	87.9	Confident	88.2	Confident	106 Å²	106	55 Å²	55	40%	0.402	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-66.1	-11.3	175.1	61.9	76.3	0	0	0	114	V306 Y408 L456	V306-W458 HydrophobicContact CG1-CZ2 4.24Å; Y408-W458 AromaticContact CD2-CH2 3.74Å; Y408-W458 HydrophobicContact CD2-CH2 3.74Å; Y408-W458 AromaticContact CD2-CZ2 3.74Å; Y408-W458 HydrophobicContact CD2-CZ2 3.74Å; Y408-W458 HydrophobicContact CE2-CH2 4.45Å; Y408-W458 AromaticContact CE2-CZ2 4Å; Y408-W458 HydrophobicContact CE2-CZ2 4Å; L456-W458 VanDerWaalsContact C-N 3.28Å; L456-W458 HydrophobicContact CD2-CH2 4.04Å; L456-W458 HydrophobicContact CD2-CZ2 3.7Å; L456-W458 PolarHBondContact O-N 3.42Å
459	K	90.3	Very high	88	Confident	60 Å²	60	59.2 Å²	59.2	26%	0.261	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-96.5	1.3	172.8	-71.2	-170.5	170.7	-174.7	0	113.1	K292 F452 T453 L456 S457	K292-K459 PolarHBondContact NZ-O 2.96Å; F452-K459 HydrophobicContact CE2-CB 4.18Å; F452-K459 HydrophobicContact CE2-CD 3.77Å; F452-K459 HydrophobicContact CZ-CB 4.43Å; F452-K459 HydrophobicContact CZ-CD 4.21Å; T453-K459 HydrophobicContact CG2-CB 4.05Å; T453-K459 VanDerWaalsContact CG2-O 3.31Å; T453-K459 WeakPolarHBondContact CG2-O 3.46Å; L456-K459 HydrophobicContact CB-CB 4.44Å; L456-K459 HydrophobicContact CD1-CD 4.39Å; L456-K459 WeakPolarHBondContact O-CB 3.4Å; L456-K459 PolarHBondContact O-N 2.92Å; S457-K459 PolarHBondContact O-N 2.92Å; S457-K459 VanDerWaalsContact O-N 3.12Å
460	Q	90.9	Very high	88	Confident	99 Å²	99	57.7 Å²	57.7	46%	0.463	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-58.1	144	178.8	-79.5	-177.8	-5.7	0	0	112.1	T453 S457	T453-Q460 WeakPolarHBondContact O-CG 3.41Å; T453-Q460 PolarHBondContact O-NE2 2.96Å; S457-Q460 VanDerWaalsContact O-CB 3.29Å; S457-Q460 WeakPolarHBondContact O-CB 3.36Å; S457-Q460 WeakPolarHBondContact O-CG 3.3Å; S457-Q460 PolarHBondContact O-N 3.35Å
461	I	90.2	Very high	88.2	Confident	37 Å²	37	63 Å²	63	19%	0.19	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-90.2	124.6	170.5	-61	179.2	0	0	0	106.8	K292 Y426 V445 P447	K292-I461 HydrophobicContact CB-CD1 4.24Å; K292-I461 HydrophobicContact CD-CD1 4.12Å; K292-I461 HydrophobicContact CD-CG1 4.28Å; Y426-I461 HydrophobicContact CD1-CD1 3.24Å; Y426-I461 HydrophobicContact CD2-CD1 4.42Å; Y426-I461 HydrophobicContact CE1-CD1 3.61Å; Y426-I461 HydrophobicContact CG-CD1 3.69Å; V445-I461 HydrophobicContact CG1-CG2 3.38Å; P447-I461 WeakPolarHBondContact CG-O 3.19Å
462	S	90.9	Very high	88.5	Confident	95 Å²	95	68.9 Å²	68.9	66%	0.664	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-89.2	147.8	174.6	-54.9	0	0	0	0	110.6	T464	S462-T464 PolarHBondContact O-N 3.19Å
463	S	88.4	Confident	88.9	Confident	67 Å²	67	71.3 Å²	71.3	47%	0.469	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-66.4	130.3	172.5	-168	0	0	0	0	110.1	V445 G465	V445-S463 VanDerWaalsContact O-CA 3.3Å; V445-S463 WeakPolarHBondContact O-CA 3.48Å; V445-S463 PolarHBondContact O-OG 2.99Å; S463-G465 PolarHBondContact O-N 3.42Å
464	T	82.6	Confident	89.1	Confident	75 Å²	75	73.7 Å²	73.7	46%	0.46	40%	0.402	S	S	.	.			trans	-97.3	78.5	178.9	61.7	0	0	0	0	110.1	R444 V445 S462	R444-T464 WeakPolarHBondContact CA-OG1 3.43Å; V445-T464 HydrophobicContact CB-CG2 4.28Å; V445-T464 PolarHBondContact N-OG1 3.2Å; V445-T464 PolarHBondContact O-N 3.41Å; S462-T464 PolarHBondContact O-N 3.19Å
465	G	79.9	Confident	89.4	Confident	50 Å²	50	74.6 Å²	74.6	52%	0.515	41%	0.406	S	S	.	.			trans	57.4	176.1	175.1	0	0	0	0	0	115.6	R444 S463	R444-G465 VanDerWaalsContact CD-O 3.24Å; R444-G465 WeakPolarHBondContact CD-O 3.46Å; S463-G465 PolarHBondContact O-N 3.42Å
466	D	81.9	Confident	89.7	Confident	145 Å²	145	74 Å²	74	78%	0.775	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-93.2	139.4	172.9	-75.8	-44.5	0	0	0	111.1	R444	R444-D466 IonicContact NH1-OD1 3.35Å
467	L	85.8	Confident	90.1	Very high	24 Å²	24	81.6 Å²	81.6	13%	0.126	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-90.3	140.3	165.7	-71.6	176	0	0	0	109.7	E429 I431 L442 R444	E429-L467 HydrophobicContact CB-CD1 4.17Å; E429-L467 HydrophobicContact CG-CD1 3.8Å; I431-L467 HydrophobicContact CD1-CB 4.24Å; I431-L467 HydrophobicContact CD1-CD1 3.93Å; I431-L467 HydrophobicContact CD1-CG 4.5Å; I431-L467 HydrophobicContact CG1-CD1 4.27Å; L442-L467 HydrophobicContact CB-CD2 3.48Å; L442-L467 VanDerWaalsContact CB-CD2 3.48Å; L442-L467 HydrophobicContact CD2-CD2 3.92Å; L442-L467 HydrophobicContact CG-CD2 4.36Å; R444-L467 HydrophobicContact CB-CD1 3.44Å; R444-L467 VanDerWaalsContact CB-CD1 3.44Å; R444-L467 HydrophobicContact CB-CD2 4.46Å; R444-L467 HydrophobicContact CB-CG 3.55Å
468	P	86.1	Confident	90.5	Very high	25 Å²	25	79.4 Å²	79.4	16%	0.162	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-63.6	140.5	168.6	26.9	-30.9	0	0	0	109.6	V250 V252 L470	V250-P468 HydrophobicContact CG1-CB 3.73Å; V252-P468 HydrophobicContact CG1-CG 4.39Å; V252-P468 HydrophobicContact CG2-CG 3.93Å; P468-L470 HydrophobicContact CG-CD1 4.16Å; P468-L470 HydrophobicContact CG-CG 4.35Å; P468-L470 PolarHBondContact O-N 3.32Å; P468-L470 VanDerWaalsContact O-N 3.12Å
469	E	89.3	Confident	90.9	Very high	176 Å²	176	77.4 Å²	77.4	82%	0.822	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-62.8	116.8	170.6	-83.6	-171	155.3	0	0	109.5	K246	K246-E469 PolarHBondContact NZ-O 3.44Å
470	L	91.5	Very high	91.2	Very high	15 Å²	15	76.1 Å²	76.1	8%	0.079	41%	0.414	C	S	.	.			trans	-127.9	143	178	-68.3	172.6	0	0	0	109	K246 V252 V282 I431 P468 E474 L476	K246-L470 HydrophobicContact CD-CD2 3.91Å; K246-L470 HydrophobicContact CG-CD2 4.13Å; V252-L470 HydrophobicContact CG1-CD1 4.34Å; V282-L470 HydrophobicContact CG2-CB 4.07Å; V282-L470 HydrophobicContact CG2-CD1 4.31Å; V282-L470 HydrophobicContact CG2-CD2 4.27Å; V282-L470 HydrophobicContact CG2-CG 4.46Å; I431-L470 HydrophobicContact CD1-CB 4.28Å; I431-L470 HydrophobicContact CD1-CD1 4.12Å; I431-L470 HydrophobicContact CG2-CB 4.45Å; I431-L470 HydrophobicContact CG2-CD1 3.95Å; P468-L470 HydrophobicContact CG-CD1 4.16Å; P468-L470 HydrophobicContact CG-CG 4.35Å; P468-L470 PolarHBondContact O-N 3.32Å; P468-L470 VanDerWaalsContact O-N 3.12Å; L470-E474 WeakPolarHBondContact CA-OE2 3.38Å; L470-L476 HydrophobicContact CD1-CD1 4.41Å; L470-L476 HydrophobicContact CD2-CD1 4.24Å; L470-L476 HydrophobicContact CD2-CD2 3.77Å; L470-L476 HydrophobicContact CD2-CG 4.48Å
471	K	92.9	Very high	91.5	Very high	164 Å²	164	72.4 Å²	72.4	71%	0.713	40%	0.399	S	S	*	.			trans	-110.5	148.3	174.5	-65.6	-177.4	-178.6	-179.7	0	110.5	V282 G473 E474	V282-K471 VanDerWaalsContact CB-O 3.27Å; V282-K471 WeakPolarHBondContact CB-O 3.46Å; V282-K471 WeakPolarHBondContact CG1-O 3.4Å; K471-G473 PolarHBondContact O-N 3Å; K471-E474 PolarHBondContact N-OE2 3.03Å; K471-E474 WeakPolarHBondContact O-CB 3.44Å; K471-E474 PolarHBondContact O-N 2.81Å
472	E	95.8	Very high	91.9	Very high	125 Å²	125	73 Å²	73	58%	0.584	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	137.3	171.3	-65.5	-174.7	169.7	0	0	110.7	S284 V285 E474	S284-E472 WeakPolarHBondContact CA-OE1 3.16Å; V285-E472 HydrophobicContact CB-CG 4.49Å; V285-E472 HydrophobicContact CG2-CG 4.24Å; V285-E472 PolarHBondContact N-OE1 2.9Å; V285-E472 VanDerWaalsContact N-OE1 3.15Å; E472-E474 PolarHBondContact O-N 2.9Å
473	G	95.2	Very high	92.2	Very high	52 Å²	52	70.6 Å²	70.6	54%	0.536	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-6.8	-173.9	0	0	0	0	0	115.2	V282 K471	V282-G473 PolarHBondContact O-N 3.12Å; K471-G473 PolarHBondContact O-N 3Å
474	E	95.1	Very high	92.5	Very high	53 Å²	53	70.2 Å²	70.2	25%	0.248	38%	0.382	C	S	.	.			trans	-65.1	137.8	178	-170.4	166.8	-166.8	0	0	111.2	K246 V281 V282 L470 K471 E472	K246-E474 WeakPolarHBondContact CE-OE1 3.09Å; K246-E474 IonicContact NZ-OE1 3.77Å; K246-E474 PolarHBondContact NZ-OE1 3.4Å; K246-E474 IonicContact NZ-OE2 2.73Å; K246-E474 PolarHBondContact NZ-OE2 2.94Å; V281-E474 WeakPolarHBondContact CA-O 3.31Å; V282-E474 HydrophobicContact CG2-CB 4.07Å; V282-E474 PolarHBondContact N-O 3.18Å; L470-E474 WeakPolarHBondContact CA-OE2 3.38Å; K471-E474 PolarHBondContact N-OE2 3.03Å; K471-E474 WeakPolarHBondContact O-CB 3.44Å; K471-E474 PolarHBondContact O-N 2.81Å; E472-E474 PolarHBondContact O-N 2.9Å
475	K	95.5	Very high	93.3	Very high	117 Å²	117	71 Å²	71	51%	0.509	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.9	-179.4	-67.9	-176.3	161.2	-148	0	111.1	E279 A280 V281	E279-K475 WeakPolarHBondContact OE2-CD 3.32Å; E279-K475 IonicContact OE2-NZ 2.78Å; E279-K475 PolarHBondContact OE2-NZ 3.36Å; A280-K475 WeakPolarHBondContact O-CA 3.17Å; V281-K475 HydrophobicContact CG2-CG 4.29Å
476	L	96.5	Very high	94.1	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.005	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.3	178.6	-55.2	176.1	0	0	0	109.7	A244 K246 V252 E279 A280 V282 I433 L470	A244-L476 HydrophobicContact CB-CB 3.83Å; A244-L476 HydrophobicContact CB-CD1 4.37Å; K246-L476 HydrophobicContact CB-CD2 4.36Å; K246-L476 HydrophobicContact CG-CD2 3.57Å; V252-L476 HydrophobicContact CB-CD1 4.49Å; V252-L476 HydrophobicContact CG1-CD1 4.43Å; V252-L476 HydrophobicContact CG2-CD1 4.14Å; E279-L476 CarbonylContact C-O 3.58Å; E279-L476 VanDerWaalsContact CA-O 3.22Å; E279-L476 WeakPolarHBondContact CA-O 3.32Å; A280-L476 HydrophobicContact CB-CB 4.49Å; A280-L476 PolarHBondContact N-O 3Å; A280-L476 PolarHBondContact O-N 3.45Å; V282-L476 HydrophobicContact CG2-CD1 4.44Å; I433-L476 HydrophobicContact CD1-CD1 4.33Å; I433-L476 HydrophobicContact CG2-CD1 3.95Å; L470-L476 HydrophobicContact CD1-CD1 4.41Å; L470-L476 HydrophobicContact CD2-CD1 4.24Å; L470-L476 HydrophobicContact CD2-CD2 3.77Å; L470-L476 HydrophobicContact CD2-CG 4.48Å
477	R	96.9	Very high	94.8	Very high	159 Å²	159	70.2 Å²	70.2	60%	0.6	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.8	174	-179	178	69.1	105.6	-3.3	109.1	A244 V245 T479	A244-R477 CarbonylContact C-O 3.59Å; A244-R477 VanDerWaalsContact CA-O 3.24Å; A244-R477 WeakPolarHBondContact CA-O 3.47Å; A244-R477 WeakPolarHBondContact CB-O 3.29Å; V245-R477 HydrophobicContact CG1-CB 4.09Å; V245-R477 PolarHBondContact N-O 3.37Å; V245-R477 PolarHBondContact O-N 3.42Å; R477-T479 PolarHBondContact O-N 3.32Å
478	I	97.4	Very high	95.3	Very high	22 Å²	22	70.2 Å²	70.2	11%	0.113	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.3	177.6	-62.3	170.9	0	0	0	108.7	L242 A277 K278 E279 A280 A435 V481	L242-I478 HydrophobicContact CD1-CD1 4.28Å; L242-I478 HydrophobicContact CD1-CG1 4.28Å; L242-I478 HydrophobicContact CD1-CG2 3.91Å; A277-I478 HydrophobicContact CB-CD1 3.78Å; K278-I478 PolarHBondContact O-N 3.33Å; E279-I478 WeakPolarHBondContact O-CD1 3.37Å; A280-I478 HydrophobicContact CB-CD1 4.29Å; A280-I478 HydrophobicContact CB-CG1 4.09Å; A435-I478 HydrophobicContact CB-CD1 3.74Å; I478-V481 HydrophobicContact CG2-CG2 4.13Å
479	T	96.5	Very high	95.7	Very high	64 Å²	64	75.4 Å²	75.4	39%	0.393	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-36.3	178.7	51.8	0	0	0	0	112	E243 V245 R477	E243-T479 VanDerWaalsContact C-OG1 3.3Å; E243-T479 PolarHBondContact O-N 2.77Å; E243-T479 PolarHBondContact O-OG1 3.46Å; E243-T479 VanDerWaalsContact O-OG1 3.1Å; V245-T479 HydrophobicContact CB-CG2 3.91Å; V245-T479 HydrophobicContact CG1-CG2 3.69Å; R477-T479 PolarHBondContact O-N 3.32Å
480	A	96.6	Very high	95.9	Very high	33 Å²	33	69.9 Å²	69.9	27%	0.273	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	151	175.3	0	0	0	0	0	112.2	E243 V482	E243-A480 HydrophobicContact CB-CB 3.99Å; E243-A480 HydrophobicContact CG-CB 4.13Å; E243-A480 PolarHBondContact N-O 3.41Å; E243-A480 PolarHBondContact O-N 2.64Å; E243-A480 VanDerWaalsContact O-N 3.09Å; A480-V482 HydrophobicContact CB-CG2 4.35Å
481	V	97.3	Very high	96.1	Very high	22 Å²	22	71.5 Å²	71.5	13%	0.133	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	100	167.2	-179.7	0	0	0	0	105.9	I240 L242 L274 K275 I478	I240-V481 HydrophobicContact CG2-CG1 3.72Å; L242-V481 HydrophobicContact CD1-CG2 4.02Å; L274-V481 HydrophobicContact CB-CG1 4.04Å; L274-V481 HydrophobicContact CB-CG2 4.11Å; L274-V481 HydrophobicContact CD1-CG1 4.41Å; K275-V481 HydrophobicContact CG-CB 4.25Å; I478-V481 HydrophobicContact CG2-CG2 4.13Å
482	V	97.3	Very high	96.3	Very high	49 Å²	49	68.1 Å²	68.1	30%	0.297	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119	-178.5	-176	0	0	0	0	108	I240 T241 E243 A480	I240-V482 CarbonylContact C-O 3.59Å; I240-V482 WeakPolarHBondContact CA-O 3.45Å; T241-V482 PolarHBondContact N-O 3.02Å; T241-V482 PolarHBondContact O-N 3.33Å; E243-V482 HydrophobicContact CG-CG2 4.25Å; A480-V482 HydrophobicContact CB-CG2 4.35Å
483	A	96.8	Very high	96.4	Very high	45 Å²	45	64.7 Å²	64.7	37%	0.372	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	111.3	179.8	0	0	0	0	0	108.3	F267 V271	F267-A483 HydrophobicContact CE1-CB 3.88Å; F267-A483 HydrophobicContact CZ-CB 3.67Å; V271-A483 HydrophobicContact CG1-CB 4.38Å; V271-A483 HydrophobicContact CG2-CB 4.11Å
484	D	96.6	Very high	96.5	Very high	59 Å²	59	62.3 Å²	62.3	32%	0.316	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.7	-178.9	-65.9	-50.6	0	0	0	110.3	W238 T239	W238-D484 CarbonylContact C-O 3.54Å; W238-D484 WeakPolarHBondContact CA-O 3.39Å; T239-D484 PolarHBondContact N-O 3.36Å; T239-D484 PolarHBondContact O-N 3.45Å
485	E	97.6	Very high	96.7	Very high	92 Å²	92	61.3 Å²	61.3	43%	0.43	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129	166.5	-176.6	166.8	140.6	0	0	108.9	R236 W238	R236-E485 WeakPolarHBondContact CD-OE1 3.45Å; R236-E485 IonicContact CZ-OE1 3.73Å; R236-E485 IonicContact NE-OE1 3.19Å; R236-E485 IonicContact NH1-OE1 3.87Å; R236-E485 PolarHBondContact NH1-OE1 2.84Å; W238-E485 HydrophobicContact CZ2-CG 4.4Å; W238-E485 PolarHBondContact NE1-OE2 3.45Å
486	K	97.2	Very high	96.8	Very high	89 Å²	89	56 Å²	56	39%	0.387	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	168.7	179.9	-66.6	179.9	-178.4	167.7	0	109.8	R236 Y237 T239	R236-K486 WeakPolarHBondContact CA-O 3.38Å; Y237-K486 HydrophobicContact CD1-CB 4.2Å; Y237-K486 HydrophobicContact CD2-CB 4.16Å; Y237-K486 HydrophobicContact CE1-CB 3.69Å; Y237-K486 HydrophobicContact CE2-CB 3.67Å; Y237-K486 HydrophobicContact CE2-CD 3.9Å; Y237-K486 HydrophobicContact CE2-CG 4.35Å; Y237-K486 HydrophobicContact CG-CB 4.43Å; Y237-K486 PolarHBondContact N-O 3.32Å; Y237-K486 PolarHBondContact O-N 3.38Å; Y237-K486 VanDerWaalsContact O-O 3.08Å; T239-K486 HydrophobicContact CG2-CD 4.42Å
487	M	96.7	Very high	96.8	Very high	89 Å²	89	56.4 Å²	56.4	44%	0.438	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.2	176.7	-71.6	-80.9	-82.8	0	0	108.5	P234 R236 Y237	P234-M487 HydrophobicContact CB-CE 3.5Å; P234-M487 HydrophobicContact CB-SD 4.49Å; R236-M487 HydrophobicContact CB-SD 4.24Å; R236-M487 HydrophobicContact CG-CG 4.48Å; R236-M487 HydrophobicContact CG-SD 3.29Å; R236-M487 WeakPolarHBondContact CG-SD 3.38Å; Y237-M487 VanDerWaalsContact CE1-C 3.42Å; Y237-M487 WeakPolarHBondContact CE1-O 3.38Å
488	T	96.5	Very high	96.8	Very high	23 Å²	23	52.5 Å²	52.5	14%	0.141	29%	0.289	C	S	.	.			trans	-65.5	146.5	170.8	56.7	0	0	0	0	109.9	F232 E235 Y237 F262	F232-T488 WeakPolarHBondContact CZ-OG1 3.48Å; E235-T488 HydrophobicContact CB-CG2 4.46Å; E235-T488 PolarHBondContact N-OG1 2.9Å; E235-T488 PolarHBondContact O-N 3.35Å; Y237-T488 HydrophobicContact CD1-CG2 3.73Å; Y237-T488 HydrophobicContact CE1-CG2 3.94Å; F262-T488 HydrophobicContact CE1-CG2 3.93Å; F262-T488 HydrophobicContact CZ-CG2 4.15Å
489	N	94.6	Very high	96.8	Very high	135 Å²	135	51.4 Å²	51.4	72%	0.722	28%	0.283	S	S	*	.			trans	-104	146.1	178.6	-64.9	-47.6	0	0	0	109.7	F232	F232-N489 VanDerWaalsContact CZ-C 3.47Å; F232-N489 WeakPolarHBondContact CZ-O 3.48Å
490	P	93.4	Very high	96.9	Very high	60 Å²	60	48.4 Å²	48.4	39%	0.39	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-63.1	160.4	170.4	29.4	-35.2	0	0	0	110.5	I229 F232	I229-P490 HydrophobicContact CG2-CB 4.38Å; F232-P490 HydrophobicContact CB-CB 3.93Å; F232-P490 HydrophobicContact CD1-CB 3.7Å; F232-P490 HydrophobicContact CD1-CG 4.37Å; F232-P490 HydrophobicContact CD2-CB 4.46Å; F232-P490 HydrophobicContact CE1-CB 4.31Å; F232-P490 VanDerWaalsContact CE1-N 3.33Å; F232-P490 HydrophobicContact CG-CB 3.78Å
491	P	95.9	Very high	96.9	Very high	48 Å²	48	48.3 Å²	48.3	31%	0.312	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-61.4	163.5	166.7	28.9	-33.5	0	0	0	110.6	E228 I229	E228-P491 HydrophobicContact CB-CG 4.28Å; I229-P491 HydrophobicContact CG1-CG 3.93Å; I229-P491 VanDerWaalsContact CG1-O 3.29Å; I229-P491 WeakPolarHBondContact CG1-O 3.28Å
492	D	96.6	Very high	96.9	Very high	94 Å²	94	49.2 Å²	49.2	50%	0.503	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-89.3	167.4	168.1	-148.6	-26.6	0	0	0	110.1	R225 H535	R225-D492 WeakPolarHBondContact CD-O 3.45Å; R225-D492 WeakPolarHBondContact CG-O 3.16Å; R225-D492 PolarHBondContact NH1-O 3.2Å; D492-H535 IonicContact OD1-CD2 3.2Å; D492-H535 IonicContact OD1-NE2 2.56Å; D492-H535 IonicContact OD2-CE1 3.85Å; D492-H535 IonicContact OD2-NE2 2.77Å; D492-H535 PolarHBondContact OD2-NE2 3.43Å
493	Y	97.9	Very high	96.9	Very high	52 Å²	52	46.9 Å²	46.9	20%	0.204	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-56.9	157.1	171.5	-66.9	-70	0	0	0	111.1	Y226 I229 I495 H535 V537	Y226-Y493 AromaticContact CD2-CE1 3.89Å; Y226-Y493 HydrophobicContact CD2-CE1 3.89Å; I229-Y493 HydrophobicContact CD1-CD1 3.65Å; I229-Y493 HydrophobicContact CD1-CD2 4.38Å; I229-Y493 HydrophobicContact CD1-CE1 3.7Å; I229-Y493 HydrophobicContact CD1-CE2 4.47Å; I229-Y493 HydrophobicContact CD1-CG 4Å; Y493-I495 PolarHBondContact O-N 2.94Å; Y493-H535 PolarHBondContact O-CD2 3.02Å; Y493-H535 VanDerWaalsContact O-CD2 3.32Å; Y493-V537 HydrophobicContact CD2-CG1 4.48Å; Y493-V537 HydrophobicContact CD2-CG2 3.85Å; Y493-V537 HydrophobicContact CE1-CG1 4.35Å; Y493-V537 HydrophobicContact CE2-CG1 4.13Å; Y493-V537 HydrophobicContact CE2-CG2 4.21Å; Y493-V537 HydrophobicContact CG-CG2 4.14Å
494	L	98.4	Very high	96.8	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-63.6	132.2	174.9	-71.6	174.2	0	0	0	110	F221 R225 E498 L499 L502 L536	F221-L494 HydrophobicContact CB-CD1 3.98Å; F221-L494 WeakPolarHBondContact O-CD1 3.48Å; R225-L494 HydrophobicContact CB-CD1 4.32Å; R225-L494 HydrophobicContact CB-CG 3.9Å; R225-L494 HydrophobicContact CG-CG 4.15Å; R225-L494 VanDerWaalsContact NH2-CD2 3.35Å; L494-E498 WeakPolarHBondContact CA-OE2 3.33Å; L494-E498 HydrophobicContact CD2-CB 3.75Å; L494-L499 HydrophobicContact CD1-CD1 4.41Å; L494-L502 HydrophobicContact CD1-CD1 3.65Å; L494-L502 HydrophobicContact CD2-CD1 3.79Å; L494-L502 HydrophobicContact CG-CD1 4.42Å; L494-L536 PolarHBondContact O-N 3.39Å
495	I	97.8	Very high	96.8	Very high	32 Å²	32	52.3 Å²	52.3	16%	0.164	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-80.8	157.3	161	60.5	171.1	0	0	0	110	Y493 A497 E498 L499 A533 H535	Y493-I495 PolarHBondContact O-N 2.94Å; I495-A497 HydrophobicContact CD1-CB 4Å; I495-A497 HydrophobicContact CG1-CB 4.24Å; I495-A497 PolarHBondContact O-N 2.94Å; I495-A497 VanDerWaalsContact O-N 3.1Å; I495-E498 HydrophobicContact CD1-CG 4.25Å; I495-E498 HydrophobicContact CG1-CB 4.09Å; I495-E498 HydrophobicContact CG1-CG 3.59Å; I495-E498 PolarHBondContact N-OE2 2.92Å; I495-E498 VanDerWaalsContact N-OE2 3.1Å; I495-E498 PolarHBondContact O-N 3.17Å; I495-L499 PolarHBondContact O-N 2.93Å; I495-A533 HydrophobicContact CG2-CB 4.13Å; I495-A533 VanDerWaalsContact CG2-O 3.3Å; I495-A533 WeakPolarHBondContact CG2-O 3.37Å; I495-H535 WeakPolarHBondContact CG2-CD2 3.45Å
496	E	97.7	Very high	96.8	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.023	26%	0.264	C	S	.	.	H	α-helix	trans	-53.6	-34.7	178.8	-70.7	170.3	156.2	0	0	112.5	S308 G314 P315 L499 I500 I518 R534 L536	S308-E496 WeakPolarHBondContact OG-CB 3.44Å; S308-E496 PolarHBondContact OG-OE2 2.81Å; G314-E496 WeakPolarHBondContact CA-OE2 3.33Å; P315-E496 VanDerWaalsContact CD-OE2 3.31Å; P315-E496 WeakPolarHBondContact CD-OE2 3.36Å; P315-E496 HydrophobicContact CG-CB 4.26Å; E496-L499 PolarHBondContact O-N 3.49Å; E496-I500 WeakPolarHBondContact O-CD1 3.5Å; E496-I500 WeakPolarHBondContact O-CG1 3.41Å; E496-I500 PolarHBondContact O-N 3.43Å; E496-I518 HydrophobicContact CG-CG2 4.46Å; E496-R534 VanDerWaalsContact CD-NH2 3.33Å; E496-R534 PolarHBondContact N-O 3.08Å; E496-R534 IonicContact OE1-CZ 2.57Å; E496-R534 IonicContact OE1-NE 3.68Å; E496-R534 IonicContact OE1-NH2 2.66Å; E496-R534 PolarHBondContact OE1-NH2 3.04Å; E496-R534 IonicContact OE2-CZ 2.97Å; E496-R534 VanDerWaalsContact OE2-CZ 3.31Å; E496-R534 IonicContact OE2-NE 3.68Å; E496-R534 PolarHBondContact OE2-NE 2.69Å; E496-R534 IonicContact OE2-NH2 3.54Å; E496-R534 PolarHBondContact OE2-NH2 3.23Å; E496-R534 VanDerWaalsContact OE2-NH2 3.13Å; E496-L536 HydrophobicContact CG-CD1 3.94Å; E496-L536 HydrophobicContact CG-CD2 3.8Å; E496-L536 HydrophobicContact CG-CG 3.92Å
497	A	96.4	Very high	96.7	Very high	10 Å²	10	48.7 Å²	48.7	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-35.4	177.1	0	0	0	0	0	113.8	R305 A309 I495 T501	R305-A497 HydrophobicContact CB-CB 4.06Å; R305-A497 HydrophobicContact CG-CB 4.2Å; A309-A497 HydrophobicContact CB-CB 4.26Å; I495-A497 HydrophobicContact CD1-CB 4Å; I495-A497 HydrophobicContact CG1-CB 4.24Å; I495-A497 PolarHBondContact O-N 2.94Å; I495-A497 VanDerWaalsContact O-N 3.1Å; A497-T501 PolarHBondContact O-N 2.94Å; A497-T501 PolarHBondContact O-OG1 3.42Å
498	E	97.6	Very high	96.7	Very high	77 Å²	77	44.6 Å²	44.6	36%	0.36	24%	0.237	S	C	.	.	H	α-helix	trans	-72.4	-40.7	174.5	-69.1	174.7	145	0	0	110.4	R225 L494 I495 I500 T501 L502	R225-E498 IonicContact NH1-OE2 3.53Å; L494-E498 WeakPolarHBondContact CA-OE2 3.33Å; L494-E498 HydrophobicContact CD2-CB 3.75Å; I495-E498 HydrophobicContact CD1-CG 4.25Å; I495-E498 HydrophobicContact CG1-CB 4.09Å; I495-E498 HydrophobicContact CG1-CG 3.59Å; I495-E498 PolarHBondContact N-OE2 2.92Å; I495-E498 VanDerWaalsContact N-OE2 3.1Å; I495-E498 PolarHBondContact O-N 3.17Å; E498-I500 PolarHBondContact O-N 3.36Å; E498-T501 WeakPolarHBondContact O-CB 3.4Å; E498-T501 PolarHBondContact O-N 3.06Å; E498-T501 VanDerWaalsContact O-N 3.12Å; E498-L502 PolarHBondContact O-N 2.77Å
499	L	98.4	Very high	96.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-42.5	175.7	-179.1	60.6	0	0	0	112	T218 F221 L494 I495 E496 T501 L502 M503 I518 I521 L536	T218-L499 HydrophobicContact CG2-CD1 4.2Å; T218-L499 HydrophobicContact CG2-CD2 3.8Å; T218-L499 HydrophobicContact CG2-CG 4.28Å; F221-L499 HydrophobicContact CB-CD1 3.67Å; F221-L499 HydrophobicContact CD2-CD1 3.81Å; F221-L499 HydrophobicContact CG-CD1 4.17Å; L494-L499 HydrophobicContact CD1-CD1 4.41Å; I495-L499 PolarHBondContact O-N 2.93Å; E496-L499 PolarHBondContact O-N 3.49Å; L499-T501 VanDerWaalsContact C-N 3.26Å; L499-T501 PolarHBondContact O-N 2.92Å; L499-L502 PolarHBondContact O-N 2.92Å; L499-M503 HydrophobicContact CD1-CG 4.31Å; L499-M503 HydrophobicContact CG-SD 4.31Å; L499-M503 WeakPolarHBondContact O-CG 3.5Å; L499-M503 PolarHBondContact O-N 2.79Å; L499-I518 HydrophobicContact CB-CD1 4.49Å; L499-I518 HydrophobicContact CD2-CD1 3.95Å; L499-I518 HydrophobicContact CD2-CG1 3.78Å; L499-I518 HydrophobicContact CD2-CG2 4.35Å; L499-I518 HydrophobicContact CG-CD1 4.06Å; L499-I518 HydrophobicContact CG-CG1 4.27Å; L499-I521 HydrophobicContact CD2-CD1 4.29Å; L499-L536 HydrophobicContact CB-CD1 4.06Å; L499-L536 HydrophobicContact CD2-CD1 3.29Å; L499-L536 HydrophobicContact CG-CD1 4.32Å
500	I	97.7	Very high	96.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55.7	-45.3	172.3	-71.5	160.3	0	0	0	110.3	V301 L304 R305 P315 E496 E498 M503 E504 I514 I518	V301-I500 HydrophobicContact CB-CG2 4.46Å; V301-I500 HydrophobicContact CG1-CG2 3.47Å; V301-I500 VanDerWaalsContact CG1-CG2 3.47Å; L304-I500 HydrophobicContact CB-CD1 3.69Å; R305-I500 HydrophobicContact CG-CB 4.07Å; R305-I500 HydrophobicContact CG-CD1 4.34Å; R305-I500 HydrophobicContact CG-CG2 3.75Å; P315-I500 HydrophobicContact CG-CD1 3.97Å; E496-I500 WeakPolarHBondContact O-CD1 3.5Å; E496-I500 WeakPolarHBondContact O-CG1 3.41Å; E496-I500 PolarHBondContact O-N 3.43Å; E498-I500 PolarHBondContact O-N 3.36Å; I500-M503 PolarHBondContact O-N 2.91Å; I500-E504 PolarHBondContact O-N 3.31Å; I500-I514 HydrophobicContact CB-CG2 4.38Å; I500-I514 HydrophobicContact CG1-CG2 3.82Å; I500-I514 HydrophobicContact CG2-CD1 4.31Å; I500-I514 HydrophobicContact CG2-CG2 4.45Å; I500-I518 HydrophobicContact CG1-CD1 3.68Å
501	T	96.3	Very high	95.8	Very high	32 Å²	32	39.5 Å²	39.5	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-42.8	179.2	-56.3	0	0	0	0	111.4	R305 A497 E498 L499 E504 Q505	R305-T501 WeakPolarHBondContact CD-OG1 3.45Å; R305-T501 PolarHBondContact NH1-OG1 2.83Å; R305-T501 VanDerWaalsContact NH1-OG1 3.09Å; A497-T501 PolarHBondContact O-N 2.94Å; A497-T501 PolarHBondContact O-OG1 3.42Å; E498-T501 WeakPolarHBondContact O-CB 3.4Å; E498-T501 PolarHBondContact O-N 3.06Å; E498-T501 VanDerWaalsContact O-N 3.12Å; L499-T501 VanDerWaalsContact C-N 3.26Å; L499-T501 PolarHBondContact O-N 2.92Å; T501-E504 PolarHBondContact O-N 3.21Å; T501-Q505 HydrophobicContact CG2-CG 4.3Å; T501-Q505 VanDerWaalsContact O-CB 3.32Å; T501-Q505 WeakPolarHBondContact O-CB 3.31Å; T501-Q505 WeakPolarHBondContact O-CG 3.45Å; T501-Q505 PolarHBondContact O-N 3.18Å
502	L	97.8	Very high	95.3	Very high	40 Å²	40	38 Å²	38	21%	0.209	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-42	177.2	-74.6	170.5	0	0	0	112.1	F221 L494 E498 L499 Q505 H506	F221-L502 HydrophobicContact CB-CD1 4.14Å; F221-L502 HydrophobicContact CD1-CB 4.28Å; F221-L502 HydrophobicContact CD1-CD1 4.16Å; F221-L502 HydrophobicContact CD2-CB 4.18Å; F221-L502 HydrophobicContact CE1-CB 4.32Å; F221-L502 HydrophobicContact CE2-CB 4.19Å; F221-L502 HydrophobicContact CG-CB 4.22Å; F221-L502 HydrophobicContact CG-CD1 4.18Å; F221-L502 HydrophobicContact CZ-CB 4.27Å; L494-L502 HydrophobicContact CD1-CD1 3.65Å; L494-L502 HydrophobicContact CD2-CD1 3.79Å; L494-L502 HydrophobicContact CG-CD1 4.42Å; E498-L502 PolarHBondContact O-N 2.77Å; L499-L502 PolarHBondContact O-N 2.92Å; L502-Q505 PolarHBondContact O-N 3.4Å; L502-H506 PolarHBondContact O-N 3.44Å; L502-H506 PolarHBondContact O-ND1 3.07Å
503	M	98	Very high	95	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-45.6	177.1	-72	-177.4	68.7	0	0	112	T218 F221 L499 I500 H506 G507 I508 I514 H517 I518	T218-M503 HydrophobicContact CG2-CE 4.34Å; T218-M503 HydrophobicContact CG2-SD 3.62Å; T218-M503 WeakPolarHBondContact OG1-CE 3.47Å; F221-M503 HydrophobicContact CD2-CG 4.38Å; F221-M503 HydrophobicContact CE2-CG 4.21Å; L499-M503 HydrophobicContact CD1-CG 4.31Å; L499-M503 HydrophobicContact CG-SD 4.31Å; L499-M503 WeakPolarHBondContact O-CG 3.5Å; L499-M503 PolarHBondContact O-N 2.79Å; I500-M503 PolarHBondContact O-N 2.91Å; M503-H506 PolarHBondContact O-N 3.01Å; M503-G507 PolarHBondContact O-N 3.35Å; M503-G507 VanDerWaalsContact O-N 3.09Å; M503-I508 CarbonylContact C-O 2.85Å; M503-I508 HydrophobicContact CB-CG1 4.08Å; M503-I508 HydrophobicContact CE-CD1 4.45Å; M503-I508 HydrophobicContact CE-CG1 4.3Å; M503-I508 HydrophobicContact CG-CD1 4.24Å; M503-I508 HydrophobicContact CG-CG1 4.1Å; M503-I508 PolarHBondContact O-N 2.82Å; M503-I514 HydrophobicContact CB-CD1 4.06Å; M503-I514 HydrophobicContact CB-CG1 4.33Å; M503-I514 HydrophobicContact CE-CB 4.3Å; M503-I514 HydrophobicContact CE-CG1 4.16Å; M503-I514 HydrophobicContact CE-CG2 4.18Å; M503-I514 HydrophobicContact SD-CG2 3.84Å; M503-H517 HydrophobicContact CE-CB 4.03Å; M503-I518 HydrophobicContact SD-CD1 4.11Å; M503-I518 HydrophobicContact SD-CG1 3.85Å
504	E	94.8	Very high	95	Very high	83 Å²	83	32.5 Å²	32.5	39%	0.388	18%	0.175	S	C	.	.	H	α-helix	trans	-60.8	-48.5	174.9	-177.7	-175.4	-133.4	0	0	111.3	V301 I500 T501 H506 G507	V301-E504 HydrophobicContact CG1-CB 4.41Å; V301-E504 HydrophobicContact CG1-CG 4.5Å; V301-E504 WeakPolarHBondContact CG1-OE2 3.38Å; V301-E504 HydrophobicContact CG2-CG 4.44Å; V301-E504 WeakPolarHBondContact CG2-OE1 3.44Å; I500-E504 PolarHBondContact O-N 3.31Å; T501-E504 PolarHBondContact O-N 3.21Å; E504-H506 VanDerWaalsContact C-N 3.26Å; E504-H506 PolarHBondContact O-N 3.3Å; E504-G507 PolarHBondContact O-N 2.93Å; E504-G507 VanDerWaalsContact O-N 3.09Å
505	Q	95.6	Very high	94.9	Very high	135 Å²	135	32.5 Å²	32.5	63%	0.631	18%	0.175	S	C	*	.	H	α-helix	trans	-60.2	-33.8	-179.7	-77.9	175.1	-18.7	0	0	113.4	T501 L502	T501-Q505 HydrophobicContact CG2-CG 4.3Å; T501-Q505 VanDerWaalsContact O-CB 3.32Å; T501-Q505 WeakPolarHBondContact O-CB 3.31Å; T501-Q505 WeakPolarHBondContact O-CG 3.45Å; T501-Q505 PolarHBondContact O-N 3.18Å; L502-Q505 PolarHBondContact O-N 3.4Å
506	H	97.2	Very high	94.8	Very high	81 Å²	81	33.7 Å²	33.7	38%	0.375	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	4	179.3	-64.9	82.1	0	0	0	113.3	F221 L502 M503 E504 I508 P559 A563	F221-H506 AromaticContact CE1-CE1 3.82Å; F221-H506 AromaticContact CE1-ND1 3.78Å; F221-H506 HydrophobicContact CZ-CB 3.99Å; F221-H506 AromaticContact CZ-CG 3.67Å; F221-H506 AromaticContact CZ-ND1 3.51Å; L502-H506 PolarHBondContact O-N 3.44Å; L502-H506 PolarHBondContact O-ND1 3.07Å; M503-H506 PolarHBondContact O-N 3.01Å; E504-H506 VanDerWaalsContact C-N 3.26Å; E504-H506 PolarHBondContact O-N 3.3Å; H506-I508 PolarHBondContact O-N 3.21Å; H506-P559 HydrophobicContact CB-CB 3.86Å; H506-P559 HydrophobicContact CB-CG 3.82Å; H506-A563 WeakPolarHBondContact O-CB 2.94Å
507	G	95.4	Very high	94.8	Very high	25 Å²	25	34.3 Å²	34.3	26%	0.258	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	34.1	175.5	0	0	0	0	0	114.3	M503 E504	M503-G507 PolarHBondContact O-N 3.35Å; M503-G507 VanDerWaalsContact O-N 3.09Å; E504-G507 PolarHBondContact O-N 2.93Å; E504-G507 VanDerWaalsContact O-N 3.09Å
508	I	96.4	Very high	94.9	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.183	C	C	.	.			trans	-115.5	145.9	174.2	67.7	165.3	0	0	0	111.3	P217 F221 M503 H506 P559 R562 A563	P217-I508 HydrophobicContact CB-CD1 3.94Å; F221-I508 HydrophobicContact CE2-CD1 3.88Å; F221-I508 HydrophobicContact CE2-CG1 4.48Å; M503-I508 CarbonylContact C-O 2.85Å; M503-I508 HydrophobicContact CB-CG1 4.08Å; M503-I508 HydrophobicContact CE-CD1 4.45Å; M503-I508 HydrophobicContact CE-CG1 4.3Å; M503-I508 HydrophobicContact CG-CD1 4.24Å; M503-I508 HydrophobicContact CG-CG1 4.1Å; M503-I508 PolarHBondContact O-N 2.82Å; H506-I508 PolarHBondContact O-N 3.21Å; I508-P559 HydrophobicContact CD1-CB 4.09Å; I508-P559 HydrophobicContact CG2-CB 3.95Å; I508-R562 HydrophobicContact CB-CG 4.13Å; I508-R562 HydrophobicContact CG2-CB 3.86Å; I508-R562 HydrophobicContact CG2-CG 3.76Å; I508-A563 HydrophobicContact CG2-CB 4.05Å
509	G	93.1	Very high	94.9	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.021	18%	0.177	C	C	.	.	S	Bend	trans	74.4	31.6	-176.1	0	0	0	0	0	113.2	S513 I514 E566	G509-S513 WeakPolarHBondContact CA-OG 3.47Å; G509-S513 PolarHBondContact O-N 2.9Å; G509-S513 PolarHBondContact O-OG 2.81Å; G509-S513 VanDerWaalsContact O-OG 3.06Å; G509-I514 WeakPolarHBondContact O-CG1 3.1Å; G509-I514 PolarHBondContact O-N 3.12Å; G509-I514 VanDerWaalsContact O-N 3.08Å; G509-E566 PolarHBondContact N-OE1 3.17Å
510	T	88.2	Confident	94.7	Very high	42 Å²	42	34.4 Å²	34.4	26%	0.258	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	171.8	176.5	53.9	0	0	0	0	112.1	A512 S513 E566	T510-A512 VanDerWaalsContact C-N 3.33Å; T510-A512 PolarHBondContact O-N 2.89Å; T510-S513 WeakPolarHBondContact O-CB 3.42Å; T510-S513 PolarHBondContact O-N 3.34Å; T510-S513 PolarHBondContact O-OG 3.47Å; T510-E566 PolarHBondContact OG1-OE2 3.44Å
511	D	83.9	Confident	94.8	Very high	67 Å²	67	34.4 Å²	34.4	36%	0.358	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	42.3	179	-55.5	-56.6	0	0	0	113.1	K119 S513	K119-D511 HydrophobicContact CD-CB 4.46Å; K119-D511 WeakPolarHBondContact CD-OD1 3.34Å; K119-D511 WeakPolarHBondContact CD-OD2 3.42Å; K119-D511 VanDerWaalsContact CE-OD1 3.3Å; K119-D511 WeakPolarHBondContact CE-OD1 3.32Å; K119-D511 IonicContact NZ-OD1 2.99Å; K119-D511 PolarHBondContact NZ-OD1 2.95Å; K119-D511 IonicContact NZ-OD2 3.21Å; K119-D511 PolarHBondContact NZ-OD2 3.41Å; D511-S513 PolarHBondContact O-N 3.42Å
512	A	85.1	Confident	94.8	Very high	17 Å²	17	34.4 Å²	34.4	14%	0.14	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	29.5	-179	0	0	0	0	0	114.8	T300 R335 T510 P515	T300-A512 HydrophobicContact CG2-CB 4.11Å; R335-A512 HydrophobicContact CB-CB 3.82Å; R335-A512 HydrophobicContact CG-CB 3.76Å; T510-A512 VanDerWaalsContact C-N 3.33Å; T510-A512 PolarHBondContact O-N 2.89Å; A512-P515 WeakPolarHBondContact O-CD 3.25Å
513	S	92.2	Very high	94.6	Very high	21 Å²	21	39.3 Å²	39.3	15%	0.147	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.4	178	64.9	0	0	0	0	114.6	G509 T510 D511 P515 V516 H517	G509-S513 WeakPolarHBondContact CA-OG 3.47Å; G509-S513 PolarHBondContact O-N 2.9Å; G509-S513 PolarHBondContact O-OG 2.81Å; G509-S513 VanDerWaalsContact O-OG 3.06Å; T510-S513 WeakPolarHBondContact O-CB 3.42Å; T510-S513 PolarHBondContact O-N 3.34Å; T510-S513 PolarHBondContact O-OG 3.47Å; D511-S513 PolarHBondContact O-N 3.42Å; S513-P515 VanDerWaalsContact C-N 3.33Å; S513-V516 WeakPolarHBondContact O-CB 3.38Å; S513-V516 PolarHBondContact O-N 3.08Å; S513-H517 PolarHBondContact O-CD2 2.91Å; S513-H517 VanDerWaalsContact O-CD2 3.26Å; S513-H517 PolarHBondContact O-N 3.27Å
514	I	96.5	Very high	94.2	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.051	23%	0.229	C	C	.	.	H	α-helix	trans	-41.1	-50.9	172.3	-59.8	-173.6	0	0	0	113.3	V301 I500 M503 G509 V516 H517 I518	V301-I514 HydrophobicContact CG2-CD1 4.42Å; I500-I514 HydrophobicContact CB-CG2 4.38Å; I500-I514 HydrophobicContact CG1-CG2 3.82Å; I500-I514 HydrophobicContact CG2-CD1 4.31Å; I500-I514 HydrophobicContact CG2-CG2 4.45Å; M503-I514 HydrophobicContact CB-CD1 4.06Å; M503-I514 HydrophobicContact CB-CG1 4.33Å; M503-I514 HydrophobicContact CE-CB 4.3Å; M503-I514 HydrophobicContact CE-CG1 4.16Å; M503-I514 HydrophobicContact CE-CG2 4.18Å; M503-I514 HydrophobicContact SD-CG2 3.84Å; G509-I514 WeakPolarHBondContact O-CG1 3.1Å; G509-I514 PolarHBondContact O-N 3.12Å; G509-I514 VanDerWaalsContact O-N 3.08Å; I514-V516 VanDerWaalsContact C-N 3.26Å; I514-V516 PolarHBondContact O-N 3.09Å; I514-H517 PolarHBondContact O-N 3.4Å; I514-I518 HydrophobicContact CG2-CD1 3.61Å; I514-I518 HydrophobicContact CG2-CG1 4.21Å; I514-I518 WeakPolarHBondContact O-CG1 3.34Å; I514-I518 PolarHBondContact O-N 2.83Å; I514-I518 VanDerWaalsContact O-N 3.08Å
515	P	97.2	Very high	94.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-36.5	-176.8	-25.4	37.7	0	0	0	113.5	L304 P315 M319 A512 S513 N519	L304-P515 HydrophobicContact CD1-CG 3.52Å; L304-P515 HydrophobicContact CD2-CG 4.21Å; P315-P515 HydrophobicContact CB-CB 3.95Å; P315-P515 HydrophobicContact CB-CG 4.38Å; M319-P515 HydrophobicContact CG-CB 3.93Å; M319-P515 HydrophobicContact CG-CG 3.48Å; M319-P515 VanDerWaalsContact CG-CG 3.48Å; A512-P515 WeakPolarHBondContact O-CD 3.25Å; S513-P515 VanDerWaalsContact C-N 3.33Å; P515-N519 WeakPolarHBondContact O-CB 3.34Å; P515-N519 PolarHBondContact O-N 2.97Å
516	V	95.9	Very high	94.2	Very high	58 Å²	58	38 Å²	38	35%	0.352	20%	0.203	S	C	.	.	H	α-helix	trans	-68.4	-46.5	-178.9	178.5	0	0	0	0	109.7	S513 I514 N519 N520	S513-V516 WeakPolarHBondContact O-CB 3.38Å; S513-V516 PolarHBondContact O-N 3.08Å; I514-V516 VanDerWaalsContact C-N 3.26Å; I514-V516 PolarHBondContact O-N 3.09Å; V516-N519 PolarHBondContact O-N 3.45Å; V516-N520 WeakPolarHBondContact O-CB 3.23Å; V516-N520 PolarHBondContact O-N 3.29Å; V516-N520 PolarHBondContact O-OD1 3.37Å
517	H	97.2	Very high	94.3	Very high	18 Å²	18	34.2 Å²	34.2	8%	0.083	19%	0.186	C	C	.	.	H	α-helix	trans	-67.8	-41.6	-178.3	-60.5	-52.5	0	0	0	112.7	C214 M503 S513 I514 N520 I521	C214-H517 PolarHBondContact SG-CD2 3.25Å; C214-H517 PolarHBondContact SG-NE2 3.45Å; M503-H517 HydrophobicContact CE-CB 4.03Å; S513-H517 PolarHBondContact O-CD2 2.91Å; S513-H517 VanDerWaalsContact O-CD2 3.26Å; S513-H517 PolarHBondContact O-N 3.27Å; I514-H517 PolarHBondContact O-N 3.4Å; H517-N520 PolarHBondContact O-N 3.24Å; H517-I521 PolarHBondContact O-N 2.96Å
518	I	98	Very high	94.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-45.5	173.6	-62.9	179.2	0	0	0	110.1	T218 P315 E496 L499 I500 M503 I514 N520 I521 C522	T218-I518 HydrophobicContact CG2-CG1 4.1Å; P315-I518 HydrophobicContact CG-CD1 4.19Å; P315-I518 HydrophobicContact CG-CG2 4.26Å; E496-I518 HydrophobicContact CG-CG2 4.46Å; L499-I518 HydrophobicContact CB-CD1 4.49Å; L499-I518 HydrophobicContact CD2-CD1 3.95Å; L499-I518 HydrophobicContact CD2-CG1 3.78Å; L499-I518 HydrophobicContact CD2-CG2 4.35Å; L499-I518 HydrophobicContact CG-CD1 4.06Å; L499-I518 HydrophobicContact CG-CG1 4.27Å; I500-I518 HydrophobicContact CG1-CD1 3.68Å; M503-I518 HydrophobicContact SD-CD1 4.11Å; M503-I518 HydrophobicContact SD-CG1 3.85Å; I514-I518 HydrophobicContact CG2-CD1 3.61Å; I514-I518 HydrophobicContact CG2-CG1 4.21Å; I514-I518 WeakPolarHBondContact O-CG1 3.34Å; I514-I518 PolarHBondContact O-N 2.83Å; I514-I518 VanDerWaalsContact O-N 3.08Å; I518-N520 VanDerWaalsContact C-N 3.28Å; I518-N520 PolarHBondContact O-N 2.77Å; I518-I521 WeakPolarHBondContact O-CG1 3.28Å; I518-I521 PolarHBondContact O-N 3.08Å; I518-C522 PolarHBondContact O-N 2.7Å; I518-C522 PolarHBondContact O-SG 3.38Å; I518-C522 VanDerWaalsContact O-SG 3.35Å
519	N	97	Very high	94.3	Very high	41 Å²	41	38.4 Å²	38.4	22%	0.219	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-35.1	177.2	177.9	72.7	0	0	0	112.4	Q316 P515 V516 C522 Q523	Q316-N519 HydrophobicContact CB-CB 3.85Å; Q316-N519 HydrophobicContact CG-CB 4.31Å; P515-N519 WeakPolarHBondContact O-CB 3.34Å; P515-N519 PolarHBondContact O-N 2.97Å; V516-N519 PolarHBondContact O-N 3.45Å; N519-C522 PolarHBondContact O-N 2.94Å; N519-Q523 PolarHBondContact ND2-NE2 2.82Å; N519-Q523 WeakPolarHBondContact O-CB 3.41Å; N519-Q523 WeakPolarHBondContact O-CG 3.43Å; N519-Q523 PolarHBondContact O-N 2.65Å
520	N	96	Very high	94.3	Very high	46 Å²	46	40.2 Å²	40.2	25%	0.246	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-45.5	177.9	-73.3	-7.3	0	0	0	112.2	Q215 V516 H517 I518 C522 Q523 R524	Q215-N520 HydrophobicContact CG-CB 4.27Å; V516-N520 WeakPolarHBondContact O-CB 3.23Å; V516-N520 PolarHBondContact O-N 3.29Å; V516-N520 PolarHBondContact O-OD1 3.37Å; H517-N520 PolarHBondContact O-N 3.24Å; I518-N520 VanDerWaalsContact C-N 3.28Å; I518-N520 PolarHBondContact O-N 2.77Å; N520-C522 VanDerWaalsContact C-N 3.28Å; N520-C522 PolarHBondContact O-N 2.84Å; N520-Q523 PolarHBondContact O-N 3.06Å; N520-R524 WeakPolarHBondContact O-CB 3.34Å; N520-R524 VanDerWaalsContact O-CG 3.26Å; N520-R524 WeakPolarHBondContact O-CG 3.45Å; N520-R524 PolarHBondContact O-N 2.9Å
521	I	98	Very high	94.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-32.1	177.6	60.7	164.9	0	0	0	112.3	Q215 T218 L219 L499 H517 I518 N525 Y526 V527	Q215-I521 HydrophobicContact CG-CG2 3.41Å; Q215-I521 VanDerWaalsContact CG-CG2 3.41Å; Q215-I521 WeakPolarHBondContact O-CG2 3.5Å; T218-I521 HydrophobicContact CG2-CD1 3.9Å; L219-I521 HydrophobicContact CB-CG2 4.11Å; L499-I521 HydrophobicContact CD2-CD1 4.29Å; H517-I521 PolarHBondContact O-N 2.96Å; I518-I521 WeakPolarHBondContact O-CG1 3.28Å; I518-I521 PolarHBondContact O-N 3.08Å; I521-N525 PolarHBondContact O-N 3.27Å; I521-Y526 PolarHBondContact O-N 3.35Å; I521-V527 HydrophobicContact CB-CG2 4.29Å; I521-V527 HydrophobicContact CD1-CG1 4.12Å; I521-V527 HydrophobicContact CD1-CG2 3.75Å; I521-V527 HydrophobicContact CG1-CG2 3.81Å; I521-V527 PolarHBondContact O-N 2.93Å
522	C	96.1	Very high	94.4	Very high	32 Å²	32	43.7 Å²	43.7	22%	0.216	27%	0.265	C	S	.	.	H	α-helix	trans	-69.2	-49.4	173.2	-67.2	0	0	0	0	111.6	I518 N519 N520 R524 N525 V527	I518-C522 PolarHBondContact O-N 2.7Å; I518-C522 PolarHBondContact O-SG 3.38Å; I518-C522 VanDerWaalsContact O-SG 3.35Å; N519-C522 PolarHBondContact O-N 2.94Å; N520-C522 VanDerWaalsContact C-N 3.28Å; N520-C522 PolarHBondContact O-N 2.84Å; C522-R524 VanDerWaalsContact C-N 3.29Å; C522-R524 PolarHBondContact O-N 3.34Å; C522-N525 PolarHBondContact O-N 2.6Å; C522-V527 VanDerWaalsContact SG-CG2 3.6Å
523	Q	94	Very high	94.5	Very high	144 Å²	144	44.6 Å²	44.6	67%	0.673	27%	0.273	S	S	*	.	H	α-helix	trans	-64.6	-32.6	-179.5	-75.3	-173	-4.5	0	0	112.8	N519 N520 N525	N519-Q523 PolarHBondContact ND2-NE2 2.82Å; N519-Q523 WeakPolarHBondContact O-CB 3.41Å; N519-Q523 WeakPolarHBondContact O-CG 3.43Å; N519-Q523 PolarHBondContact O-N 2.65Å; N520-Q523 PolarHBondContact O-N 3.06Å; Q523-N525 PolarHBondContact O-N 3.06Å
524	R	90.9	Very high	94.6	Very high	100 Å²	100	46 Å²	46	38%	0.377	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-1.4	174.1	-69	-69.4	-174.5	158.4	2.2	113.7	N520 C522 Y526	N520-R524 WeakPolarHBondContact O-CB 3.34Å; N520-R524 VanDerWaalsContact O-CG 3.26Å; N520-R524 WeakPolarHBondContact O-CG 3.45Å; N520-R524 PolarHBondContact O-N 2.9Å; C522-R524 VanDerWaalsContact C-N 3.29Å; C522-R524 PolarHBondContact O-N 3.34Å; R524-Y526 VanDerWaalsContact C-N 3.27Å; R524-Y526 HydrophobicContact CB-CD1 4.16Å; R524-Y526 HydrophobicContact CB-CD2 4.13Å; R524-Y526 HydrophobicContact CB-CE1 3.95Å; R524-Y526 HydrophobicContact CB-CE2 3.99Å; R524-Y526 HydrophobicContact CB-CG 4.21Å; R524-Y526 WeakPolarHBondContact O-CD1 3.22Å; R524-Y526 PolarHBondContact O-N 3.07Å
525	N	93.5	Very high	94.7	Very high	86 Å²	86	47.3 Å²	47.3	46%	0.46	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	35.3	-179.7	-166.2	45.9	0	0	0	113.1	I521 C522 Q523 T539	I521-N525 PolarHBondContact O-N 3.27Å; C522-N525 PolarHBondContact O-N 2.6Å; Q523-N525 PolarHBondContact O-N 3.06Å; N525-T539 VanDerWaalsContact O-CG2 3.24Å; N525-T539 WeakPolarHBondContact O-CG2 3.47Å; N525-T539 PolarHBondContact O-OG1 2.78Å
526	Y	97.4	Very high	94.7	Very high	3 Å²	3	47.3 Å²	47.3	1%	0.012	28%	0.28	C	S	.	.	S	Bend	trans	-84.9	-26.8	171	-60.6	-16.6	0	0	0	111.7	L208 S210 L219 I521 R524 T539 L541 L545	L208-Y526 WeakPolarHBondContact O-CE1 3.42Å; L208-Y526 PolarHBondContact O-OH 3.22Å; S210-Y526 WeakPolarHBondContact CA-OH 3.43Å; S210-Y526 WeakPolarHBondContact CB-OH 3.22Å; S210-Y526 PolarHBondContact N-OH 2.8Å; S210-Y526 PolarHBondContact O-OH 2.96Å; S210-Y526 PolarHBondContact OG-OH 2.97Å; L219-Y526 HydrophobicContact CD2-CD2 3.81Å; L219-Y526 HydrophobicContact CD2-CG 4.12Å; I521-Y526 PolarHBondContact O-N 3.35Å; R524-Y526 VanDerWaalsContact C-N 3.27Å; R524-Y526 HydrophobicContact CB-CD1 4.16Å; R524-Y526 HydrophobicContact CB-CD2 4.13Å; R524-Y526 HydrophobicContact CB-CE1 3.95Å; R524-Y526 HydrophobicContact CB-CE2 3.99Å; R524-Y526 HydrophobicContact CB-CG 4.21Å; R524-Y526 WeakPolarHBondContact O-CD1 3.22Å; R524-Y526 PolarHBondContact O-N 3.07Å; Y526-T539 PolarHBondContact O-N 3.22Å; Y526-T539 PolarHBondContact O-OG1 2.92Å; Y526-L541 HydrophobicContact CD1-CD2 4.19Å; Y526-L541 HydrophobicContact CD1-CG 4.3Å; Y526-L541 HydrophobicContact CE1-CD2 3.89Å; Y526-L541 HydrophobicContact CE1-CG 4.24Å; Y526-L545 HydrophobicContact CD1-CD1 4.02Å; Y526-L545 HydrophobicContact CD2-CD1 4.46Å; Y526-L545 HydrophobicContact CE1-CD1 3.52Å; Y526-L545 HydrophobicContact CE2-CD1 3.94Å; Y526-L545 HydrophobicContact CG-CD1 4.49Å; Y526-L545 VanDerWaalsContact CZ-CD1 3.47Å
527	V	97.9	Very high	94.8	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.2	169.6	-61.7	0	0	0	0	109.2	L219 C222 I521 C522 L536 V537	L219-V527 HydrophobicContact CD1-CG1 3.87Å; C222-V527 HydrophobicContact CB-CG1 4.06Å; I521-V527 HydrophobicContact CB-CG2 4.29Å; I521-V527 HydrophobicContact CD1-CG1 4.12Å; I521-V527 HydrophobicContact CD1-CG2 3.75Å; I521-V527 HydrophobicContact CG1-CG2 3.81Å; I521-V527 PolarHBondContact O-N 2.93Å; C522-V527 VanDerWaalsContact SG-CG2 3.6Å; V527-L536 HydrophobicContact CB-CB 4.44Å; V527-L536 HydrophobicContact CG2-CD2 4.06Å; V527-V537 CarbonylContact C-O 3.38Å; V527-V537 VanDerWaalsContact CA-O 3.3Å; V527-V537 WeakPolarHBondContact CA-O 3.22Å
528	S	96.1	Very high	94.8	Very high	53 Å²	53	45.8 Å²	45.8	37%	0.371	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.7	167.6	61.3	0	0	0	0	110.1	V537	S528-V537 PolarHBondContact N-O 3.31Å; S528-V537 PolarHBondContact O-N 3.44Å; S528-V537 PolarHBondContact OG-O 3.08Å
529	V	96	Very high	94.7	Very high	63 Å²	63	47 Å²	47	38%	0.382	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.9	175	-174.9	0	0	0	0	109.4	R534 H535 L536	V529-R534 HydrophobicContact CG1-CB 3.89Å; V529-R534 HydrophobicContact CG1-CG 4.36Å; V529-H535 CarbonylContact C-O 3.58Å; V529-H535 VanDerWaalsContact CA-O 3.3Å; V529-H535 WeakPolarHBondContact CA-O 3.31Å; V529-L536 HydrophobicContact CG2-CD2 3.99Å
530	A	92.7	Very high	94.3	Very high	39 Å²	39	50.2 Å²	50.2	32%	0.322	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.4	-176.1	0	0	0	0	0	113.3	H535 V537	A530-H535 PolarHBondContact N-O 3.25Å; A530-H535 PolarHBondContact O-N 3.11Å; A530-V537 HydrophobicContact CB-CG2 3.95Å
531	G	89.3	Confident	94.2	Very high	64 Å²	64	48.5 Å²	48.5	66%	0.66	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	172.2	176.1	0	0	0	0	0	114.6	A533 R534	G531-A533 VanDerWaalsContact C-N 3.28Å; G531-A533 PolarHBondContact O-N 2.84Å; G531-R534 PolarHBondContact O-N 3.11Å
532	S	84.5	Confident	94.1	Very high	119 Å²	119	48.5 Å²	48.5	83%	0.832	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.3	176.7	50.4	0	0	0	0	112.9	R534	S532-R534 PolarHBondContact O-N 3.05Å
533	A	87.9	Confident	94.1	Very high	36 Å²	36	47.6 Å²	47.6	30%	0.298	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-9.3	175.5	0	0	0	0	0	113.6	I495 G531	I495-A533 HydrophobicContact CG2-CB 4.13Å; I495-A533 VanDerWaalsContact CG2-O 3.3Å; I495-A533 WeakPolarHBondContact CG2-O 3.37Å; G531-A533 VanDerWaalsContact C-N 3.28Å; G531-A533 PolarHBondContact O-N 2.84Å
534	R	94.9	Very high	94.1	Very high	49 Å²	49	41.5 Å²	41.5	19%	0.185	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	51	177.4	-51.8	-179.8	57.9	71.3	20.6	113.3	G312 G314 E496 V529 G531 S532	G312-R534 PolarHBondContact O-NH1 3.35Å; G312-R534 VanDerWaalsContact O-NH1 3.13Å; G314-R534 VanDerWaalsContact CA-NH2 3.26Å; E496-R534 VanDerWaalsContact CD-NH2 3.33Å; E496-R534 PolarHBondContact N-O 3.08Å; E496-R534 IonicContact OE1-CZ 2.57Å; E496-R534 IonicContact OE1-NE 3.68Å; E496-R534 IonicContact OE1-NH2 2.66Å; E496-R534 PolarHBondContact OE1-NH2 3.04Å; E496-R534 IonicContact OE2-CZ 2.97Å; E496-R534 VanDerWaalsContact OE2-CZ 3.31Å; E496-R534 IonicContact OE2-NE 3.68Å; E496-R534 PolarHBondContact OE2-NE 2.69Å; E496-R534 IonicContact OE2-NH2 3.54Å; E496-R534 PolarHBondContact OE2-NH2 3.23Å; E496-R534 VanDerWaalsContact OE2-NH2 3.13Å; V529-R534 HydrophobicContact CG1-CB 3.89Å; V529-R534 HydrophobicContact CG1-CG 4.36Å; G531-R534 PolarHBondContact O-N 3.11Å; S532-R534 PolarHBondContact O-N 3.05Å
535	H	97.3	Very high	94.3	Very high	39 Å²	39	36.8 Å²	36.8	18%	0.181	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	137.3	172.5	-65.7	106.9	0	0	0	111.2	D492 Y493 I495 V529 A530 V537	D492-H535 IonicContact OD1-CD2 3.2Å; D492-H535 IonicContact OD1-NE2 2.56Å; D492-H535 IonicContact OD2-CE1 3.85Å; D492-H535 IonicContact OD2-NE2 2.77Å; D492-H535 PolarHBondContact OD2-NE2 3.43Å; Y493-H535 PolarHBondContact O-CD2 3.02Å; Y493-H535 VanDerWaalsContact O-CD2 3.32Å; I495-H535 WeakPolarHBondContact CG2-CD2 3.45Å; V529-H535 CarbonylContact C-O 3.58Å; V529-H535 VanDerWaalsContact CA-O 3.3Å; V529-H535 WeakPolarHBondContact CA-O 3.31Å; A530-H535 PolarHBondContact N-O 3.25Å; A530-H535 PolarHBondContact O-N 3.11Å; H535-V537 HydrophobicContact CB-CG2 4.43Å
536	L	98.3	Very high	94.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	93.2	175.6	-63.6	173.2	0	0	0	108.8	L494 E496 L499 V527 V529 P538	L494-L536 PolarHBondContact O-N 3.39Å; E496-L536 HydrophobicContact CG-CD1 3.94Å; E496-L536 HydrophobicContact CG-CD2 3.8Å; E496-L536 HydrophobicContact CG-CG 3.92Å; L499-L536 HydrophobicContact CB-CD1 4.06Å; L499-L536 HydrophobicContact CD2-CD1 3.29Å; L499-L536 HydrophobicContact CG-CD1 4.32Å; V527-L536 HydrophobicContact CB-CB 4.44Å; V527-L536 HydrophobicContact CG2-CD2 4.06Å; V529-L536 HydrophobicContact CG2-CD2 3.99Å; L536-P538 WeakPolarHBondContact O-CD 3.32Å
537	V	97.9	Very high	94.4	Very high	34 Å²	34	35.2 Å²	35.2	21%	0.206	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	116.3	-178.8	-175.3	0	0	0	0	108.9	Y493 V527 S528 A530 H535 T539	Y493-V537 HydrophobicContact CD2-CG1 4.48Å; Y493-V537 HydrophobicContact CD2-CG2 3.85Å; Y493-V537 HydrophobicContact CE1-CG1 4.35Å; Y493-V537 HydrophobicContact CE2-CG1 4.13Å; Y493-V537 HydrophobicContact CE2-CG2 4.21Å; Y493-V537 HydrophobicContact CG-CG2 4.14Å; V527-V537 CarbonylContact C-O 3.38Å; V527-V537 VanDerWaalsContact CA-O 3.3Å; V527-V537 WeakPolarHBondContact CA-O 3.22Å; S528-V537 PolarHBondContact N-O 3.31Å; S528-V537 PolarHBondContact O-N 3.44Å; S528-V537 PolarHBondContact OG-O 3.08Å; A530-V537 HydrophobicContact CB-CG2 3.95Å; H535-V537 HydrophobicContact CB-CG2 4.43Å; V537-T539 PolarHBondContact O-N 3.2Å
538	P	97.6	Very high	94.2	Very high	11 Å²	11	35.1 Å²	35.1	7%	0.071	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	132.4	175.9	-27.7	39.2	0	0	0	111.9	C222 V223 Y226 L536 V543	C222-P538 HydrophobicContact CB-CG 4.01Å; C222-P538 WeakPolarHBondContact O-CG 3.37Å; V223-P538 HydrophobicContact CG2-CB 4.11Å; V223-P538 HydrophobicContact CG2-CG 4.21Å; Y226-P538 HydrophobicContact CG-CG 4.46Å; L536-P538 WeakPolarHBondContact O-CD 3.32Å; P538-V543 HydrophobicContact CB-CG2 3.58Å
539	T	94.6	Very high	94.3	Very high	26 Å²	26	32.7 Å²	32.7	16%	0.16	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-77.2	162.7	171	71.4	0	0	0	0	109.5	N525 Y526 V537 L541 G542 V543	N525-T539 VanDerWaalsContact O-CG2 3.24Å; N525-T539 WeakPolarHBondContact O-CG2 3.47Å; N525-T539 PolarHBondContact O-OG1 2.78Å; Y526-T539 PolarHBondContact O-N 3.22Å; Y526-T539 PolarHBondContact O-OG1 2.92Å; V537-T539 PolarHBondContact O-N 3.2Å; T539-L541 PolarHBondContact O-N 2.99Å; T539-L541 VanDerWaalsContact O-N 3.15Å; T539-G542 PolarHBondContact O-N 2.84Å; T539-G542 PolarHBondContact OG1-N 3.18Å; T539-V543 WeakPolarHBondContact O-CG2 3.41Å; T539-V543 PolarHBondContact O-N 3.4Å
540	K	90.3	Very high	94.3	Very high	108 Å²	108	33.6 Å²	33.6	47%	0.47	20%	0.202	S	C	.	.	H	α-helix	trans	-49.4	-41.8	173.1	-179	176.1	178.5	177.1	0	112.4	L544 S611	K540-L544 HydrophobicContact CG-CD1 4.02Å; K540-L544 WeakPolarHBondContact O-CB 3.47Å; K540-L544 WeakPolarHBondContact O-CD1 3.42Å; K540-L544 VanDerWaalsContact O-CG 3.27Å; K540-L544 WeakPolarHBondContact O-CG 3.43Å; K540-L544 PolarHBondContact O-N 2.88Å; K540-L544 VanDerWaalsContact O-N 3.13Å; K540-S611 WeakPolarHBondContact CE-O 3.28Å; K540-S611 PolarHBondContact NZ-O 2.94Å
541	L	92.7	Very high	94.4	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-43.4	177.5	-178.9	59.4	0	0	0	112	L204 L208 L209 Y526 T539 L544 L545 F608	L204-L541 HydrophobicContact CD1-CD1 3.93Å; L208-L541 HydrophobicContact CB-CD2 3.89Å; L209-L541 HydrophobicContact CD2-CD1 3.69Å; Y526-L541 HydrophobicContact CD1-CD2 4.19Å; Y526-L541 HydrophobicContact CD1-CG 4.3Å; Y526-L541 HydrophobicContact CE1-CD2 3.89Å; Y526-L541 HydrophobicContact CE1-CG 4.24Å; T539-L541 PolarHBondContact O-N 2.99Å; T539-L541 VanDerWaalsContact O-N 3.15Å; L541-L544 PolarHBondContact O-N 3.32Å; L541-L545 HydrophobicContact CD1-CD1 4.25Å; L541-L545 HydrophobicContact CD1-CG 4.23Å; L541-L545 HydrophobicContact CG-CD1 4.1Å; L541-L545 WeakPolarHBondContact O-CB 3.32Å; L541-L545 WeakPolarHBondContact O-CG 3.28Å; L541-L545 PolarHBondContact O-N 3.14Å; L541-F608 HydrophobicContact CD1-CE1 3.92Å; L541-F608 HydrophobicContact CD1-CZ 4.11Å
542	G	96.2	Very high	94.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-45.7	178.4	0	0	0	0	0	112.6	T539 L545 A546	T539-G542 PolarHBondContact O-N 2.84Å; T539-G542 PolarHBondContact OG1-N 3.18Å; G542-L545 PolarHBondContact O-N 3.01Å; G542-A546 PolarHBondContact O-N 3.28Å
543	V	95.7	Very high	95.3	Very high	13 Å²	13	29.6 Å²	29.6	8%	0.079	15%	0.145	C	C	.	.	H	α-helix	trans	-59.6	-51	176.2	177.1	0	0	0	0	110.7	V223 Y226 P538 T539 L545 A546 H547	V223-V543 HydrophobicContact CG1-CG1 4.48Å; V223-V543 HydrophobicContact CG2-CG2 4.49Å; Y226-V543 HydrophobicContact CD1-CG1 4.2Å; Y226-V543 HydrophobicContact CD1-CG2 3.93Å; Y226-V543 HydrophobicContact CD2-CG2 4.36Å; Y226-V543 HydrophobicContact CE1-CG1 3.76Å; Y226-V543 HydrophobicContact CE1-CG2 3.89Å; Y226-V543 HydrophobicContact CE2-CG2 4.35Å; Y226-V543 HydrophobicContact CG-CG2 4.19Å; P538-V543 HydrophobicContact CB-CG2 3.58Å; T539-V543 WeakPolarHBondContact O-CG2 3.41Å; T539-V543 PolarHBondContact O-N 3.4Å; V543-L545 VanDerWaalsContact C-N 3.33Å; V543-L545 PolarHBondContact O-N 2.95Å; V543-A546 PolarHBondContact O-N 3.45Å; V543-H547 WeakPolarHBondContact CG1-CE1 3.16Å; V543-H547 WeakPolarHBondContact CG1-ND1 3.17Å; V543-H547 WeakPolarHBondContact O-CB 3.4Å; V543-H547 PolarHBondContact O-N 3.37Å
544	L	93.5	Very high	95.7	Very high	15 Å²	15	32.5 Å²	32.5	8%	0.079	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-37.6	-178.8	-72.2	168.8	0	0	0	113.3	K540 L541 G548 L607 F608 S611 Y612	K540-L544 HydrophobicContact CG-CD1 4.02Å; K540-L544 WeakPolarHBondContact O-CB 3.47Å; K540-L544 WeakPolarHBondContact O-CD1 3.42Å; K540-L544 VanDerWaalsContact O-CG 3.27Å; K540-L544 WeakPolarHBondContact O-CG 3.43Å; K540-L544 PolarHBondContact O-N 2.88Å; K540-L544 VanDerWaalsContact O-N 3.13Å; L541-L544 PolarHBondContact O-N 3.32Å; L544-G548 WeakPolarHBondContact O-CA 3.36Å; L544-G548 PolarHBondContact O-N 3.39Å; L544-L607 HydrophobicContact CD2-CB 3.99Å; L544-L607 WeakPolarHBondContact CD2-O 3.38Å; L544-F608 HydrophobicContact CB-CD2 4.36Å; L544-F608 HydrophobicContact CB-CE2 3.9Å; L544-F608 HydrophobicContact CB-CZ 4.11Å; L544-S611 VanDerWaalsContact CD1-CB 3.48Å; L544-S611 WeakPolarHBondContact CD2-OG 3.45Å; L544-Y612 HydrophobicContact CD1-CD2 4.05Å; L544-Y612 HydrophobicContact CD1-CE2 3.43Å; L544-Y612 VanDerWaalsContact CD1-CE2 3.43Å
545	L	96.7	Very high	95.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-63.1	-54.3	174.7	-80.7	174.1	0	0	0	110.9	L209 L219 Y526 L541 G542 V543 H547 G548 Y549 M604 F608	L209-L545 HydrophobicContact CD2-CD1 4.36Å; L209-L545 HydrophobicContact CD2-CD2 3.96Å; L209-L545 HydrophobicContact CD2-CG 4.41Å; L219-L545 HydrophobicContact CD2-CB 4.5Å; Y526-L545 HydrophobicContact CD1-CD1 4.02Å; Y526-L545 HydrophobicContact CD2-CD1 4.46Å; Y526-L545 HydrophobicContact CE1-CD1 3.52Å; Y526-L545 HydrophobicContact CE2-CD1 3.94Å; Y526-L545 HydrophobicContact CG-CD1 4.49Å; Y526-L545 VanDerWaalsContact CZ-CD1 3.47Å; L541-L545 HydrophobicContact CD1-CD1 4.25Å; L541-L545 HydrophobicContact CD1-CG 4.23Å; L541-L545 HydrophobicContact CG-CD1 4.1Å; L541-L545 WeakPolarHBondContact O-CB 3.32Å; L541-L545 WeakPolarHBondContact O-CG 3.28Å; L541-L545 PolarHBondContact O-N 3.14Å; G542-L545 PolarHBondContact O-N 3.01Å; V543-L545 VanDerWaalsContact C-N 3.33Å; V543-L545 PolarHBondContact O-N 2.95Å; L545-H547 PolarHBondContact O-N 3.49Å; L545-G548 PolarHBondContact O-N 2.96Å; L545-Y549 HydrophobicContact CB-CD2 4.45Å; L545-Y549 HydrophobicContact CB-CE2 4.07Å; L545-Y549 HydrophobicContact CD2-CE2 4.04Å; L545-Y549 WeakPolarHBondContact O-CD2 3.13Å; L545-Y549 PolarHBondContact O-N 3.28Å; L545-M604 HydrophobicContact CD2-CE 4.23Å; L545-M604 WeakPolarHBondContact O-CE 3.4Å; L545-F608 HydrophobicContact CD2-CZ 4.14Å; L545-F608 HydrophobicContact CG-CZ 4.36Å
546	A	97.3	Very high	95.8	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.017	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-46.7	-178.8	0	0	0	0	0	112	L219 V223 G542 V543 G548 Y549 K550 V557	L219-A546 HydrophobicContact CG-CB 4.5Å; V223-A546 HydrophobicContact CB-CB 3.78Å; V223-A546 HydrophobicContact CG1-CB 3.85Å; V223-A546 HydrophobicContact CG2-CB 3.66Å; G542-A546 PolarHBondContact O-N 3.28Å; V543-A546 PolarHBondContact O-N 3.45Å; A546-G548 VanDerWaalsContact C-N 3.35Å; A546-G548 PolarHBondContact O-N 2.99Å; A546-Y549 PolarHBondContact O-N 3.05Å; A546-K550 VanDerWaalsContact O-CB 3.26Å; A546-K550 WeakPolarHBondContact O-CB 3.35Å; A546-K550 PolarHBondContact O-N 3.36Å; A546-V557 HydrophobicContact CB-CG1 4.49Å
547	H	95.1	Very high	95.8	Very high	55 Å²	55	33.8 Å²	33.8	26%	0.255	16%	0.162	S	C	.	.	H	α-helix	trans	-62	-41.8	175.6	-70.6	177	0	0	0	112.3	D227 V543 L545 K550 K551 L607	D227-H547 IonicContact OD1-CE1 3.66Å; D227-H547 PolarHBondContact OD1-CE1 2.97Å; D227-H547 IonicContact OD1-NE2 3.69Å; D227-H547 PolarHBondContact OD1-NE2 3.47Å; D227-H547 IonicContact OD2-CD2 2.65Å; D227-H547 IonicContact OD2-CE1 2.78Å; D227-H547 IonicContact OD2-NE2 3.13Å; D227-H547 PolarHBondContact OD2-NE2 3.07Å; V543-H547 WeakPolarHBondContact CG1-CE1 3.16Å; V543-H547 WeakPolarHBondContact CG1-ND1 3.17Å; V543-H547 WeakPolarHBondContact O-CB 3.4Å; V543-H547 PolarHBondContact O-N 3.37Å; L545-H547 PolarHBondContact O-N 3.49Å; H547-K550 PolarHBondContact O-N 2.83Å; H547-K551 VanDerWaalsContact O-CB 3.23Å; H547-K551 WeakPolarHBondContact O-CB 3.32Å; H547-K551 PolarHBondContact O-N 3.45Å; H547-L607 HydrophobicContact CB-CD1 4.13Å
548	G	94.3	Very high	95.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-44.1	178.2	0	0	0	0	0	112.7	L544 L545 A546 I552 M604	L544-G548 WeakPolarHBondContact O-CA 3.36Å; L544-G548 PolarHBondContact O-N 3.39Å; L545-G548 PolarHBondContact O-N 2.96Å; A546-G548 VanDerWaalsContact C-N 3.35Å; A546-G548 PolarHBondContact O-N 2.99Å; G548-I552 WeakPolarHBondContact O-CG1 3.4Å; G548-I552 PolarHBondContact O-N 2.95Å; G548-M604 VanDerWaalsContact C-CE 3.47Å
549	Y	97.8	Very high	95.7	Very high	1 Å²	1	35 Å²	35	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-48.8	174.1	-68.5	-56.6	0	0	0	110.4	Q193 F211 T216 L545 A546 K551 I552 D553 L556 V557 F597 M604	Q193-Y549 VanDerWaalsContact CD-OH 3.27Å; Q193-Y549 PolarHBondContact NE2-OH 3.24Å; Q193-Y549 PolarHBondContact OE1-OH 3.33Å; F211-Y549 WeakPolarHBondContact CB-OH 3.23Å; F211-Y549 HydrophobicContact CD2-CD1 4.41Å; F211-Y549 AromaticContact CD2-CE1 3.77Å; F211-Y549 HydrophobicContact CD2-CE1 3.77Å; F211-Y549 HydrophobicContact CD2-CE2 4.1Å; F211-Y549 AromaticContact CD2-CZ 3.6Å; F211-Y549 HydrophobicContact CE2-CE1 4.38Å; T216-Y549 HydrophobicContact CG2-CD2 3.61Å; T216-Y549 HydrophobicContact CG2-CE2 3.85Å; T216-Y549 HydrophobicContact CG2-CG 4.36Å; L545-Y549 HydrophobicContact CB-CD2 4.45Å; L545-Y549 HydrophobicContact CB-CE2 4.07Å; L545-Y549 HydrophobicContact CD2-CE2 4.04Å; L545-Y549 WeakPolarHBondContact O-CD2 3.13Å; L545-Y549 PolarHBondContact O-N 3.28Å; A546-Y549 PolarHBondContact O-N 3.05Å; Y549-K551 VanDerWaalsContact C-N 3.31Å; Y549-K551 PolarHBondContact O-N 3.01Å; Y549-I552 CarbonylContact O-C 3.56Å; Y549-I552 PolarHBondContact O-N 3.19Å; Y549-D553 CarbonylContact O-C 3.53Å; Y549-D553 PolarHBondContact O-N 3.32Å; Y549-D553 VanDerWaalsContact O-O 3.08Å; Y549-L556 HydrophobicContact CD1-CD1 4.32Å; Y549-V557 HydrophobicContact CG-CG2 4.39Å; Y549-F597 HydrophobicContact CD1-CD2 4.21Å; Y549-F597 AromaticContact CD1-CE2 3.51Å; Y549-F597 HydrophobicContact CD1-CE2 3.51Å; Y549-F597 HydrophobicContact CD1-CZ 4.16Å; Y549-F597 AromaticContact CE1-CE2 3.62Å; Y549-F597 HydrophobicContact CE1-CE2 3.62Å; Y549-F597 AromaticContact CE1-CZ 3.78Å; Y549-F597 HydrophobicContact CE1-CZ 3.78Å; Y549-M604 HydrophobicContact CD1-CE 3.76Å; Y549-M604 HydrophobicContact CD2-CE 4.17Å; Y549-M604 HydrophobicContact CE1-CE 3.9Å; Y549-M604 HydrophobicContact CE2-CE 4.29Å; Y549-M604 HydrophobicContact CG-CE 3.88Å
550	K	95.7	Very high	95.8	Very high	83 Å²	83	38.7 Å²	38.7	36%	0.361	19%	0.187	S	C	.	.	H	α-helix	trans	-60.5	-38.2	-178.9	-174.9	164.9	-179.5	128.7	0	113	A546 H547 I552 E554 V557 E558	A546-K550 VanDerWaalsContact O-CB 3.26Å; A546-K550 WeakPolarHBondContact O-CB 3.35Å; A546-K550 PolarHBondContact O-N 3.36Å; H547-K550 PolarHBondContact O-N 2.83Å; K550-I552 VanDerWaalsContact C-N 3.27Å; K550-I552 PolarHBondContact O-N 3.26Å; K550-E554 WeakPolarHBondContact CE-OE1 3.31Å; K550-E554 HydrophobicContact CG-CB 4.26Å; K550-E554 HydrophobicContact CG-CG 4.12Å; K550-E554 IonicContact NZ-OE1 3.7Å; K550-E554 PolarHBondContact NZ-OE1 3.03Å; K550-E554 PolarHBondContact O-N 3.45Å; K550-V557 HydrophobicContact CB-CG2 4.19Å; K550-E558 IonicContact NZ-OE1 3.71Å; K550-E558 PolarHBondContact NZ-OE1 2.93Å
551	K	94	Very high	96	Very high	103 Å²	103	34.7 Å²	34.7	45%	0.448	17%	0.17	S	C	.	.	H	α-helix	trans	-67.1	-27.5	175.9	-171.4	174.1	-177.2	-177.8	0	113	H547 Y549 L603 L607	H547-K551 VanDerWaalsContact O-CB 3.23Å; H547-K551 WeakPolarHBondContact O-CB 3.32Å; H547-K551 PolarHBondContact O-N 3.45Å; Y549-K551 VanDerWaalsContact C-N 3.31Å; Y549-K551 PolarHBondContact O-N 3.01Å; K551-L603 HydrophobicContact CD-CB 4.31Å; K551-L603 HydrophobicContact CG-CB 4.31Å; K551-L607 HydrophobicContact CD-CD1 4.18Å; K551-L607 HydrophobicContact CD-CG 4.46Å
552	I	96.8	Very high	96.2	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.051	17%	0.169	C	C	.	.	H	α-helix	trans	-85.6	-61.8	175.8	-69.1	170.3	0	0	0	109.6	G548 Y549 K550 Y596 F597 K600 L603 M604	G548-I552 WeakPolarHBondContact O-CG1 3.4Å; G548-I552 PolarHBondContact O-N 2.95Å; Y549-I552 CarbonylContact O-C 3.56Å; Y549-I552 PolarHBondContact O-N 3.19Å; K550-I552 VanDerWaalsContact C-N 3.27Å; K550-I552 PolarHBondContact O-N 3.26Å; I552-Y596 HydrophobicContact CG2-CD1 4.26Å; I552-Y596 HydrophobicContact CG2-CE1 4.25Å; I552-Y596 VanDerWaalsContact O-CE1 3.25Å; I552-Y596 WeakPolarHBondContact O-CE1 3.29Å; I552-F597 HydrophobicContact CB-CD2 4.38Å; I552-F597 HydrophobicContact CD1-CD2 3.69Å; I552-F597 HydrophobicContact CD1-CE2 3.61Å; I552-F597 HydrophobicContact CG2-CB 4.34Å; I552-F597 HydrophobicContact CG2-CD2 3.91Å; I552-K600 HydrophobicContact CG1-CB 4.21Å; I552-K600 HydrophobicContact CG2-CB 3.98Å; I552-L603 HydrophobicContact CG1-CB 4.01Å; I552-L603 HydrophobicContact CG1-CD1 4.33Å; I552-M604 HydrophobicContact CD1-CB 3.83Å
553	D	97.1	Very high	96.3	Very high	24 Å²	24	35 Å²	35	13%	0.128	17%	0.173	C	C	.	.			trans	-147.7	106.4	-178	179.4	3.6	0	0	0	109.3	Y549 E555 L556 K593 Y596	Y549-D553 CarbonylContact O-C 3.53Å; Y549-D553 PolarHBondContact O-N 3.32Å; Y549-D553 VanDerWaalsContact O-O 3.08Å; D553-E555 PolarHBondContact O-N 2.62Å; D553-E555 PolarHBondContact OD1-N 3.44Å; D553-L556 HydrophobicContact CB-CD1 3.96Å; D553-L556 HydrophobicContact CB-CG 4.03Å; D553-L556 WeakPolarHBondContact O-CB 3.48Å; D553-L556 PolarHBondContact O-N 2.92Å; D553-L556 VanDerWaalsContact O-N 3.11Å; D553-K593 IonicContact OD1-NZ 3.31Å; D553-K593 PolarHBondContact OD1-NZ 2.93Å; D553-K593 VanDerWaalsContact OD2-CD 3.31Å; D553-K593 WeakPolarHBondContact OD2-CD 3.48Å; D553-K593 WeakPolarHBondContact OD2-CG 3.39Å; D553-K593 IonicContact OD2-NZ 2.82Å; D553-K593 PolarHBondContact OD2-NZ 3.43Å; D553-Y596 HydrophobicContact CB-CD1 4.44Å
554	E	96.4	Very high	96.3	Very high	98 Å²	98	37 Å²	37	46%	0.458	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-58	-32.6	-177.9	-179.5	165.5	-146.9	0	0	112.9	K550 L556 V557 E558	K550-E554 WeakPolarHBondContact CE-OE1 3.31Å; K550-E554 HydrophobicContact CG-CB 4.26Å; K550-E554 HydrophobicContact CG-CG 4.12Å; K550-E554 IonicContact NZ-OE1 3.7Å; K550-E554 PolarHBondContact NZ-OE1 3.03Å; K550-E554 PolarHBondContact O-N 3.45Å; E554-L556 PolarHBondContact O-N 3.08Å; E554-L556 VanDerWaalsContact O-N 3.1Å; E554-V557 PolarHBondContact O-N 2.98Å; E554-E558 HydrophobicContact CG-CG 3.54Å; E554-E558 WeakPolarHBondContact O-CG 3.41Å; E554-E558 PolarHBondContact O-N 3.16Å
555	E	96.6	Very high	96.5	Very high	104 Å²	104	36.7 Å²	36.7	49%	0.486	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-67.7	-12.1	179.5	-64.7	-178.4	-178.7	0	0	113.7	D553 V557 M561 K593	D553-E555 PolarHBondContact O-N 2.62Å; D553-E555 PolarHBondContact OD1-N 3.44Å; E555-V557 VanDerWaalsContact C-N 3.27Å; E555-M561 HydrophobicContact CB-CE 4.09Å; E555-M561 WeakPolarHBondContact O-CE 3.42Å; E555-K593 WeakPolarHBondContact OE2-CE 3.31Å; E555-K593 IonicContact OE2-NZ 4Å; E555-K593 PolarHBondContact OE2-NZ 3.45Å
556	L	97	Very high	96.4	Very high	3 Å²	3	37 Å²	37	2%	0.016	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-75.7	-17.9	172	-65.3	176.9	0	0	0	112.9	F189 F211 T216 Y549 D553 E554 M561 K593 F597	F189-L556 HydrophobicContact CE1-CD1 4.05Å; F189-L556 HydrophobicContact CE1-CD2 4.33Å; F189-L556 HydrophobicContact CZ-CD2 4.1Å; F211-L556 HydrophobicContact CE2-CB 4.28Å; F211-L556 HydrophobicContact CE2-CD2 4.38Å; F211-L556 HydrophobicContact CZ-CD2 4.06Å; T216-L556 WeakPolarHBondContact CG2-O 3.42Å; Y549-L556 HydrophobicContact CD1-CD1 4.32Å; D553-L556 HydrophobicContact CB-CD1 3.96Å; D553-L556 HydrophobicContact CB-CG 4.03Å; D553-L556 WeakPolarHBondContact O-CB 3.48Å; D553-L556 PolarHBondContact O-N 2.92Å; D553-L556 VanDerWaalsContact O-N 3.11Å; E554-L556 PolarHBondContact O-N 3.08Å; E554-L556 VanDerWaalsContact O-N 3.1Å; L556-M561 HydrophobicContact CD2-CE 4.17Å; L556-K593 HydrophobicContact CD2-CB 4.41Å; L556-K593 HydrophobicContact CD2-CD 4.2Å; L556-F597 HydrophobicContact CD1-CD2 4.19Å
557	V	97.8	Very high	96.4	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.042	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-34.2	-178.5	-173.9	0	0	0	0	111.2	T216 P217 G220 A546 Y549 K550 E554 E555	T216-V557 HydrophobicContact CG2-CG2 4.3Å; P217-V557 WeakPolarHBondContact CA-O 3Å; P217-V557 WeakPolarHBondContact CB-O 3.46Å; G220-V557 VanDerWaalsContact CA-CG1 3.45Å; A546-V557 HydrophobicContact CB-CG1 4.49Å; Y549-V557 HydrophobicContact CG-CG2 4.39Å; K550-V557 HydrophobicContact CB-CG2 4.19Å; E554-V557 PolarHBondContact O-N 2.98Å; E555-V557 VanDerWaalsContact C-N 3.27Å
558	E	96.9	Very high	96.5	Very high	68 Å²	68	42.2 Å²	42.2	32%	0.318	21%	0.212	S	C	.	.	S	Bend	trans	-69.2	143.4	175	-62.3	-57.6	147	0	0	111.1	K550 E554 T560	K550-E558 IonicContact NZ-OE1 3.71Å; K550-E558 PolarHBondContact NZ-OE1 2.93Å; E554-E558 HydrophobicContact CG-CG 3.54Å; E554-E558 WeakPolarHBondContact O-CG 3.41Å; E554-E558 PolarHBondContact O-N 3.16Å; E558-T560 PolarHBondContact O-N 3.32Å
559	P	97.6	Very high	96.6	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.026	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.8	-174.3	30.6	-38.2	0	0	0	113.7	P217 F221 H506 I508 M561 R562 A563	P217-P559 HydrophobicContact CB-CB 4.44Å; F221-P559 HydrophobicContact CE1-CG 4.11Å; F221-P559 HydrophobicContact CE2-CB 4.47Å; F221-P559 HydrophobicContact CZ-CB 3.92Å; F221-P559 HydrophobicContact CZ-CG 3.73Å; H506-P559 HydrophobicContact CB-CB 3.86Å; H506-P559 HydrophobicContact CB-CG 3.82Å; I508-P559 HydrophobicContact CD1-CB 4.09Å; I508-P559 HydrophobicContact CG2-CB 3.95Å; P559-M561 PolarHBondContact O-N 3.5Å; P559-R562 PolarHBondContact O-N 3.23Å; P559-R562 VanDerWaalsContact O-N 3.1Å; P559-A563 WeakPolarHBondContact O-CB 3.3Å; P559-A563 PolarHBondContact O-N 3.23Å
560	T	96.6	Very high	96.4	Very high	103 Å²	103	45.5 Å²	45.5	63%	0.632	23%	0.23	S	C	*	.	H	α-helix	trans	-53.3	-46.7	-170.6	-48.3	0	0	0	0	113.4	E558 A563 S564	E558-T560 PolarHBondContact O-N 3.32Å; T560-A563 PolarHBondContact O-N 3.08Å; T560-S564 PolarHBondContact O-N 3.19Å; T560-S564 VanDerWaalsContact O-N 3.09Å
561	M	95	Very high	96.5	Very high	24 Å²	24	44.7 Å²	44.7	12%	0.118	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-44	-178.8	-162.4	-158.1	-28.8	0	0	110.9	E555 L556 P559 A563 S564 V565 I589 F590 K593	E555-M561 HydrophobicContact CB-CE 4.09Å; E555-M561 WeakPolarHBondContact O-CE 3.42Å; L556-M561 HydrophobicContact CD2-CE 4.17Å; P559-M561 PolarHBondContact O-N 3.5Å; M561-A563 VanDerWaalsContact C-N 3.34Å; M561-A563 PolarHBondContact O-N 2.9Å; M561-S564 PolarHBondContact O-N 2.76Å; M561-V565 WeakPolarHBondContact O-CG2 3.2Å; M561-V565 PolarHBondContact O-N 3.3Å; M561-V565 VanDerWaalsContact O-N 3.13Å; M561-I589 HydrophobicContact SD-CG2 4.36Å; M561-F590 HydrophobicContact CE-CE1 3.89Å; M561-F590 HydrophobicContact CE-CZ 3.96Å; M561-F590 HydrophobicContact CG-CE2 4.41Å; M561-F590 HydrophobicContact CG-CZ 4.32Å; M561-F590 HydrophobicContact SD-CD1 4.16Å; M561-F590 HydrophobicContact SD-CD2 3.99Å; M561-F590 HydrophobicContact SD-CE1 3.54Å; M561-F590 VanDerWaalsContact SD-CE1 3.54Å; M561-F590 HydrophobicContact SD-CE2 3.34Å; M561-F590 WeakPolarHBondContact SD-CE2 3.34Å; M561-F590 HydrophobicContact SD-CG 4.38Å; M561-F590 HydrophobicContact SD-CZ 3.1Å; M561-F590 WeakPolarHBondContact SD-CZ 3.43Å; M561-K593 HydrophobicContact CE-CD 3.44Å; M561-K593 VanDerWaalsContact CE-CD 3.44Å; M561-K593 VanDerWaalsContact CE-CE 3.46Å; M561-K593 HydrophobicContact SD-CD 4.04Å
562	R	96.9	Very high	96.6	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.019	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-41.5	178.6	178.1	57.8	-173.7	-162.4	0.7	111	D182 C214 P217 I508 P559 S564 V565 E566	D182-R562 IonicContact OD1-CZ 3.05Å; D182-R562 IonicContact OD1-NH1 2.66Å; D182-R562 PolarHBondContact OD1-NH1 2.92Å; D182-R562 IonicContact OD1-NH2 3.8Å; C214-R562 HydrophobicContact CB-CG 4.09Å; P217-R562 HydrophobicContact CG-CB 4.5Å; I508-R562 HydrophobicContact CB-CG 4.13Å; I508-R562 HydrophobicContact CG2-CB 3.86Å; I508-R562 HydrophobicContact CG2-CG 3.76Å; P559-R562 PolarHBondContact O-N 3.23Å; P559-R562 VanDerWaalsContact O-N 3.1Å; R562-S564 VanDerWaalsContact C-N 3.3Å; R562-S564 PolarHBondContact O-N 3.31Å; R562-V565 WeakPolarHBondContact O-CB 3.29Å; R562-V565 PolarHBondContact O-N 3.37Å; R562-V565 VanDerWaalsContact O-N 3.08Å; R562-E566 HydrophobicContact CG-CG 4.29Å; R562-E566 IonicContact CZ-OE1 3.64Å; R562-E566 IonicContact NE-OE1 2.71Å; R562-E566 PolarHBondContact NE-OE1 3.4Å; R562-E566 VanDerWaalsContact NH2-CD 3.33Å; R562-E566 IonicContact NH2-OE1 3.44Å; R562-E566 PolarHBondContact NH2-OE1 2.87Å; R562-E566 IonicContact NH2-OE2 4Å; R562-E566 PolarHBondContact NH2-OE2 2.83Å; R562-E566 WeakPolarHBondContact O-CG 3.44Å; R562-E566 PolarHBondContact O-N 2.94Å
563	A	97.1	Very high	96.6	Very high	11 Å²	11	39.5 Å²	39.5	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-58.4	-42.9	177.2	0	0	0	0	0	111.8	H506 I508 P559 T560 M561 V565 E566 Q567	H506-A563 WeakPolarHBondContact O-CB 2.94Å; I508-A563 HydrophobicContact CG2-CB 4.05Å; P559-A563 WeakPolarHBondContact O-CB 3.3Å; P559-A563 PolarHBondContact O-N 3.23Å; T560-A563 PolarHBondContact O-N 3.08Å; M561-A563 VanDerWaalsContact C-N 3.34Å; M561-A563 PolarHBondContact O-N 2.9Å; A563-V565 VanDerWaalsContact C-N 3.33Å; A563-V565 PolarHBondContact O-N 3Å; A563-E566 PolarHBondContact O-N 3.39Å; A563-Q567 VanDerWaalsContact O-CG 3.31Å; A563-Q567 WeakPolarHBondContact O-CG 3.29Å; A563-Q567 PolarHBondContact O-N 2.98Å
564	S	96.7	Very high	96.5	Very high	55 Å²	55	44 Å²	44	39%	0.385	23%	0.225	S	C	.	.	H	α-helix	trans	-60.6	-41.6	174	-169.4	0	0	0	0	112.1	T560 M561 R562 Q567 E568	T560-S564 PolarHBondContact O-N 3.19Å; T560-S564 VanDerWaalsContact O-N 3.09Å; M561-S564 PolarHBondContact O-N 2.76Å; R562-S564 VanDerWaalsContact C-N 3.3Å; R562-S564 PolarHBondContact O-N 3.31Å; S564-Q567 PolarHBondContact O-N 3.18Å; S564-E568 PolarHBondContact O-N 2.84Å
565	V	96.5	Very high	96.5	Very high	10 Å²	10	41.1 Å²	41.1	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-45.8	176.6	174.4	0	0	0	0	111.3	L181 M561 R562 A563 Q567 E568 L569 V586 F590	L181-V565 HydrophobicContact CD1-CG1 3.8Å; M561-V565 WeakPolarHBondContact O-CG2 3.2Å; M561-V565 PolarHBondContact O-N 3.3Å; M561-V565 VanDerWaalsContact O-N 3.13Å; R562-V565 WeakPolarHBondContact O-CB 3.29Å; R562-V565 PolarHBondContact O-N 3.37Å; R562-V565 VanDerWaalsContact O-N 3.08Å; A563-V565 VanDerWaalsContact C-N 3.33Å; A563-V565 PolarHBondContact O-N 3Å; V565-Q567 VanDerWaalsContact C-N 3.26Å; V565-Q567 PolarHBondContact O-N 3.16Å; V565-E568 PolarHBondContact O-N 2.97Å; V565-L569 HydrophobicContact CG1-CD1 4.1Å; V565-L569 HydrophobicContact CG1-CG 4.32Å; V565-L569 VanDerWaalsContact O-CG 3.27Å; V565-L569 WeakPolarHBondContact O-CG 3.46Å; V565-L569 PolarHBondContact O-N 3.22Å; V565-V586 HydrophobicContact CG1-CG1 4.38Å; V565-V586 HydrophobicContact CG2-CG1 3.72Å; V565-V586 HydrophobicContact CG2-CG2 4.15Å; V565-F590 HydrophobicContact CG2-CE2 4.24Å
566	E	95.7	Very high	96.6	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-38	177.1	-61	-78.2	-165.9	0	0	111.3	G509 T510 R562 A563 L569 N570	G509-E566 PolarHBondContact N-OE1 3.17Å; T510-E566 PolarHBondContact OG1-OE2 3.44Å; R562-E566 HydrophobicContact CG-CG 4.29Å; R562-E566 IonicContact CZ-OE1 3.64Å; R562-E566 IonicContact NE-OE1 2.71Å; R562-E566 PolarHBondContact NE-OE1 3.4Å; R562-E566 VanDerWaalsContact NH2-CD 3.33Å; R562-E566 IonicContact NH2-OE1 3.44Å; R562-E566 PolarHBondContact NH2-OE1 2.87Å; R562-E566 IonicContact NH2-OE2 4Å; R562-E566 PolarHBondContact NH2-OE2 2.83Å; R562-E566 WeakPolarHBondContact O-CG 3.44Å; R562-E566 PolarHBondContact O-N 2.94Å; A563-E566 PolarHBondContact O-N 3.39Å; E566-L569 PolarHBondContact O-N 3.15Å; E566-N570 PolarHBondContact O-N 3.3Å
567	Q	96	Very high	96.6	Very high	129 Å²	129	43.5 Å²	43.5	60%	0.603	24%	0.237	S	C	*	.	H	α-helix	trans	-64.4	-46	174.7	-71.1	171.8	11	0	0	112.1	A563 S564 V565 L569 N570 L571	A563-Q567 VanDerWaalsContact O-CG 3.31Å; A563-Q567 WeakPolarHBondContact O-CG 3.29Å; A563-Q567 PolarHBondContact O-N 2.98Å; S564-Q567 PolarHBondContact O-N 3.18Å; V565-Q567 VanDerWaalsContact C-N 3.26Å; V565-Q567 PolarHBondContact O-N 3.16Å; Q567-L569 VanDerWaalsContact C-N 3.33Å; Q567-L569 PolarHBondContact O-N 3.29Å; Q567-N570 WeakPolarHBondContact O-CB 3.49Å; Q567-N570 PolarHBondContact O-N 2.72Å; Q567-N570 VanDerWaalsContact O-N 3.15Å; Q567-L571 WeakPolarHBondContact O-CG 3.29Å; Q567-L571 PolarHBondContact O-N 3.04Å
568	E	97	Very high	96.6	Very high	37 Å²	37	47.2 Å²	47.2	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-60.7	-41.2	175.2	-74.2	-176.9	-136.3	0	0	112	S564 V565 N570 L571 I572 V582 H585	S564-E568 PolarHBondContact O-N 2.84Å; V565-E568 PolarHBondContact O-N 2.97Å; E568-N570 VanDerWaalsContact C-N 3.3Å; E568-N570 PolarHBondContact O-N 3.35Å; E568-L571 WeakPolarHBondContact O-CB 3.22Å; E568-L571 PolarHBondContact O-N 3.5Å; E568-I572 PolarHBondContact O-N 3.07Å; E568-V582 HydrophobicContact CB-CG1 3.95Å; E568-V582 HydrophobicContact CB-CG2 4.35Å; E568-V582 WeakPolarHBondContact OE2-CG1 3.38Å; E568-H585 IonicContact OE1-CD2 3.61Å; E568-H585 IonicContact OE2-CD2 3.9Å
569	L	96.5	Very high	96.6	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-38.9	174.4	-67.5	173.7	0	0	0	111.6	S174 A177 R178 L181 V565 E566 Q567 L571 I572 A573	S174-L569 VanDerWaalsContact CB-O 3.29Å; S174-L569 WeakPolarHBondContact CB-O 3.38Å; A177-L569 HydrophobicContact CB-CD2 3.48Å; A177-L569 VanDerWaalsContact CB-CD2 3.48Å; R178-L569 HydrophobicContact CB-CD1 3.81Å; R178-L569 HydrophobicContact CB-CD2 4.43Å; R178-L569 HydrophobicContact CG-CD1 3.94Å; L181-L569 HydrophobicContact CD1-CD2 4.21Å; V565-L569 HydrophobicContact CG1-CD1 4.1Å; V565-L569 HydrophobicContact CG1-CG 4.32Å; V565-L569 VanDerWaalsContact O-CG 3.27Å; V565-L569 WeakPolarHBondContact O-CG 3.46Å; V565-L569 PolarHBondContact O-N 3.22Å; E566-L569 PolarHBondContact O-N 3.15Å; Q567-L569 VanDerWaalsContact C-N 3.33Å; Q567-L569 PolarHBondContact O-N 3.29Å; L569-L571 VanDerWaalsContact C-N 3.34Å; L569-I572 HydrophobicContact CD2-CD1 4.32Å; L569-I572 WeakPolarHBondContact O-CB 3.16Å; L569-I572 PolarHBondContact O-N 3.11Å; L569-A573 PolarHBondContact O-N 3.44Å
570	N	94.5	Very high	96.6	Very high	61 Å²	61	50.4 Å²	50.4	33%	0.326	28%	0.277	S	S	.	.	H	α-helix	trans	-68.8	-32.1	176	-161.7	45.5	0	0	0	112.7	K119 E566 Q567 E568 A573 K574	K119-N570 PolarHBondContact NZ-OD1 3.47Å; K119-N570 VanDerWaalsContact NZ-OD1 3.11Å; E566-N570 PolarHBondContact O-N 3.3Å; Q567-N570 WeakPolarHBondContact O-CB 3.49Å; Q567-N570 PolarHBondContact O-N 2.72Å; Q567-N570 VanDerWaalsContact O-N 3.15Å; E568-N570 VanDerWaalsContact C-N 3.3Å; E568-N570 PolarHBondContact O-N 3.35Å; N570-A573 WeakPolarHBondContact O-CB 3.44Å; N570-A573 PolarHBondContact O-N 2.94Å; N570-K574 WeakPolarHBondContact O-CG 3.48Å; N570-K574 PolarHBondContact O-N 2.9Å; N570-K574 VanDerWaalsContact O-N 3.14Å
571	L	97.1	Very high	96.6	Very high	66 Å²	66	48.9 Å²	48.9	35%	0.346	27%	0.27	S	S	.	.	H	α-helix	trans	-66.6	-38	171.5	-65.3	173.8	0	0	0	111.5	Q567 E568 L569 A573 K574 G575 E576 A577	Q567-L571 WeakPolarHBondContact O-CG 3.29Å; Q567-L571 PolarHBondContact O-N 3.04Å; E568-L571 WeakPolarHBondContact O-CB 3.22Å; E568-L571 PolarHBondContact O-N 3.5Å; L569-L571 VanDerWaalsContact C-N 3.34Å; L571-A573 VanDerWaalsContact C-N 3.32Å; L571-A573 PolarHBondContact O-N 3.02Å; L571-K574 PolarHBondContact O-N 3.01Å; L571-G575 PolarHBondContact O-N 3.19Å; L571-E576 HydrophobicContact CB-CB 4.39Å; L571-E576 HydrophobicContact CD2-CB 4.16Å; L571-E576 VanDerWaalsContact CD2-OE2 3.28Å; L571-E576 WeakPolarHBondContact CD2-OE2 3.39Å; L571-E576 PolarHBondContact O-N 3.34Å; L571-A577 HydrophobicContact CB-CB 3.59Å; L571-A577 PolarHBondContact O-N 2.91Å
572	I	97.8	Very high	96.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-46.7	169.9	-62.8	171.4	0	0	0	109.6	W170 L173 A177 E568 L569 K574 G575 A577 V582	W170-I572 WeakPolarHBondContact CB-O 3.44Å; L173-I572 HydrophobicContact CB-CG2 3.98Å; A177-I572 HydrophobicContact CB-CD1 3.99Å; E568-I572 PolarHBondContact O-N 3.07Å; L569-I572 HydrophobicContact CD2-CD1 4.32Å; L569-I572 WeakPolarHBondContact O-CB 3.16Å; L569-I572 PolarHBondContact O-N 3.11Å; I572-K574 PolarHBondContact O-N 2.74Å; I572-G575 PolarHBondContact O-N 3.34Å; I572-A577 HydrophobicContact CG1-CB 4.26Å; I572-V582 HydrophobicContact CD1-CB 3.87Å; I572-V582 HydrophobicContact CD1-CG1 3.8Å; I572-V582 HydrophobicContact CD1-CG2 4.09Å; I572-V582 HydrophobicContact CG1-CB 4.42Å; I572-V582 HydrophobicContact CG1-CG2 4.09Å
573	A	95.7	Very high	96.8	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.033	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-30.6	-178.4	0	0	0	0	0	113.4	W170 Q171 L569 N570 L571	W170-A573 WeakPolarHBondContact CB-O 3.36Å; Q171-A573 HydrophobicContact CG-CB 4.17Å; L569-A573 PolarHBondContact O-N 3.44Å; N570-A573 WeakPolarHBondContact O-CB 3.44Å; N570-A573 PolarHBondContact O-N 2.94Å; L571-A573 VanDerWaalsContact C-N 3.32Å; L571-A573 PolarHBondContact O-N 3.02Å
574	K	95.3	Very high	96.8	Very high	120 Å²	120	55.5 Å²	55.5	52%	0.522	30%	0.297	S	S	.	.	H	α-helix	trans	-85.1	-9.5	176	-66.6	175	-176.8	-179.6	0	114	N570 L571 I572 E576	N570-K574 WeakPolarHBondContact O-CG 3.48Å; N570-K574 PolarHBondContact O-N 2.9Å; N570-K574 VanDerWaalsContact O-N 3.14Å; L571-K574 PolarHBondContact O-N 3.01Å; I572-K574 PolarHBondContact O-N 2.74Å; K574-E576 VanDerWaalsContact C-N 3.3Å; K574-E576 HydrophobicContact CB-CB 4.42Å; K574-E576 HydrophobicContact CB-CG 3.92Å
575	G	96.2	Very high	96.9	Very high	37 Å²	37	56.4 Å²	56.4	38%	0.381	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	18.5	-171.6	0	0	0	0	0	113.7	L571 I572	L571-G575 PolarHBondContact O-N 3.19Å; I572-G575 PolarHBondContact O-N 3.34Å
576	E	97.8	Very high	96.9	Very high	132 Å²	132	56.1 Å²	56.1	62%	0.617	29%	0.293	S	S	*	.	S	Bend	trans	-94.7	-12.4	-179	-67.4	173.5	-167.3	0	0	112.8	L571 K574	L571-E576 HydrophobicContact CB-CB 4.39Å; L571-E576 HydrophobicContact CD2-CB 4.16Å; L571-E576 VanDerWaalsContact CD2-OE2 3.28Å; L571-E576 WeakPolarHBondContact CD2-OE2 3.39Å; L571-E576 PolarHBondContact O-N 3.34Å; K574-E576 VanDerWaalsContact C-N 3.3Å; K574-E576 HydrophobicContact CB-CB 4.42Å; K574-E576 HydrophobicContact CB-CG 3.92Å
577	A	97.5	Very high	97	Very high	24 Å²	24	56.8 Å²	56.8	20%	0.198	30%	0.297	C	S	.	.	S	Bend	trans	-132.7	145.3	174.1	0	0	0	0	0	111.9	L571 I572 V582	L571-A577 HydrophobicContact CB-CB 3.59Å; L571-A577 PolarHBondContact O-N 2.91Å; I572-A577 HydrophobicContact CG1-CB 4.26Å; A577-V582 HydrophobicContact CB-CG2 3.94Å
578	D	97.6	Very high	97.1	Very high	85 Å²	85	58.2 Å²	58.2	46%	0.455	30%	0.297	S	S	.	.			trans	-80.4	129.8	177.8	170.2	60.7	0	0	0	111.7	V580 S581 V582	D578-V580 PolarHBondContact O-N 3.4Å; D578-V580 PolarHBondContact OD2-N 3.26Å; D578-S581 PolarHBondContact O-N 3.47Å; D578-S581 VanDerWaalsContact OD2-CB 3.3Å; D578-S581 WeakPolarHBondContact OD2-CB 3.29Å; D578-S581 PolarHBondContact OD2-N 2.79Å; D578-S581 PolarHBondContact OD2-OG 2.89Å; D578-V582 WeakPolarHBondContact O-CG2 3.39Å; D578-V582 PolarHBondContact O-N 3.34Å
579	F	97.3	Very high	97.1	Very high	46 Å²	46	59.2 Å²	59.2	20%	0.202	30%	0.303	C	S	.	.	H	α-helix	trans	-53.9	-50	179.9	169.6	-89.6	0	0	0	112.3	L173 D176 A177 S581 V582 M583	L173-F579 HydrophobicContact CB-CD2 4.31Å; L173-F579 HydrophobicContact CD1-CB 4.33Å; L173-F579 HydrophobicContact CD2-CD2 3.99Å; L173-F579 HydrophobicContact CD2-CE2 4.35Å; L173-F579 HydrophobicContact CD2-CG 4.22Å; D176-F579 HydrophobicContact CB-CE2 4.39Å; A177-F579 HydrophobicContact CB-CD2 3.85Å; A177-F579 HydrophobicContact CB-CE2 3.67Å; F579-S581 VanDerWaalsContact C-N 3.34Å; F579-S581 PolarHBondContact O-N 3.19Å; F579-V582 PolarHBondContact O-N 2.94Å; F579-M583 HydrophobicContact CD1-CG 4.37Å; F579-M583 HydrophobicContact CD2-CG 4.31Å; F579-M583 HydrophobicContact CE1-CG 4.06Å; F579-M583 HydrophobicContact CE2-CG 4.01Å; F579-M583 HydrophobicContact CG-CG 4.47Å; F579-M583 HydrophobicContact CZ-CG 3.86Å; F579-M583 WeakPolarHBondContact O-CB 3.24Å; F579-M583 WeakPolarHBondContact O-CG 3.34Å; F579-M583 PolarHBondContact O-N 2.95Å
580	V	97.2	Very high	97.2	Very high	94 Å²	94	59 Å²	59	57%	0.57	30%	0.302	S	S	*	.	H	α-helix	trans	-67	-40.5	-174.1	179.9	0	0	0	0	110.6	D578 K584	D578-V580 PolarHBondContact O-N 3.4Å; D578-V580 PolarHBondContact OD2-N 3.26Å; V580-K584 VanDerWaalsContact O-CB 3.31Å; V580-K584 WeakPolarHBondContact O-CB 3.22Å; V580-K584 PolarHBondContact O-N 3.21Å
581	S	97.7	Very high	97.3	Very high	71 Å²	71	57.6 Å²	57.6	50%	0.497	29%	0.294	S	S	.	.	H	α-helix	trans	-64.9	-47.5	179.8	-60.1	0	0	0	0	112	D578 F579 K584 H585	D578-S581 PolarHBondContact O-N 3.47Å; D578-S581 VanDerWaalsContact OD2-CB 3.3Å; D578-S581 WeakPolarHBondContact OD2-CB 3.29Å; D578-S581 PolarHBondContact OD2-N 2.79Å; D578-S581 PolarHBondContact OD2-OG 2.89Å; F579-S581 VanDerWaalsContact C-N 3.34Å; F579-S581 PolarHBondContact O-N 3.19Å; S581-K584 PolarHBondContact O-N 3.44Å; S581-H585 WeakPolarHBondContact O-CB 3.5Å; S581-H585 PolarHBondContact O-N 3.39Å
582	V	97.9	Very high	97.4	Very high	10 Å²	10	59.8 Å²	59.8	6%	0.061	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-49.9	175.5	167.8	0	0	0	0	110.6	E568 I572 A577 D578 F579 K584 H585 V586	E568-V582 HydrophobicContact CB-CG1 3.95Å; E568-V582 HydrophobicContact CB-CG2 4.35Å; E568-V582 WeakPolarHBondContact OE2-CG1 3.38Å; I572-V582 HydrophobicContact CD1-CB 3.87Å; I572-V582 HydrophobicContact CD1-CG1 3.8Å; I572-V582 HydrophobicContact CD1-CG2 4.09Å; I572-V582 HydrophobicContact CG1-CB 4.42Å; I572-V582 HydrophobicContact CG1-CG2 4.09Å; A577-V582 HydrophobicContact CB-CG2 3.94Å; D578-V582 WeakPolarHBondContact O-CG2 3.39Å; D578-V582 PolarHBondContact O-N 3.34Å; F579-V582 PolarHBondContact O-N 2.94Å; V582-K584 VanDerWaalsContact C-N 3.34Å; V582-K584 PolarHBondContact O-N 3.33Å; V582-H585 PolarHBondContact O-N 2.87Å; V582-H585 VanDerWaalsContact O-N 3.12Å; V582-V586 HydrophobicContact CG1-CG2 4.21Å; V582-V586 WeakPolarHBondContact O-CG2 3.45Å; V582-V586 PolarHBondContact O-N 2.92Å
583	M	97.9	Very high	97.4	Very high	10 Å²	10	61 Å²	61	5%	0.049	31%	0.311	C	S	.	.	H	α-helix	trans	-56.4	-47.2	179	-73.4	-58.7	-64.5	0	0	111.9	A177 E180 L181 F579 H585 L587	A177-M583 HydrophobicContact CB-CG 4.42Å; A177-M583 HydrophobicContact CB-SD 3.7Å; E180-M583 HydrophobicContact CB-CE 3.65Å; E180-M583 HydrophobicContact CG-CE 3.49Å; E180-M583 VanDerWaalsContact CG-CE 3.49Å; L181-M583 HydrophobicContact CD1-SD 4.16Å; L181-M583 HydrophobicContact CD2-CE 3.76Å; L181-M583 HydrophobicContact CD2-SD 3.79Å; L181-M583 HydrophobicContact CG-CE 3.92Å; L181-M583 HydrophobicContact CG-SD 3.65Å; F579-M583 HydrophobicContact CD1-CG 4.37Å; F579-M583 HydrophobicContact CD2-CG 4.31Å; F579-M583 HydrophobicContact CE1-CG 4.06Å; F579-M583 HydrophobicContact CE2-CG 4.01Å; F579-M583 HydrophobicContact CG-CG 4.47Å; F579-M583 HydrophobicContact CZ-CG 3.86Å; F579-M583 WeakPolarHBondContact O-CB 3.24Å; F579-M583 WeakPolarHBondContact O-CG 3.34Å; F579-M583 PolarHBondContact O-N 2.95Å; M583-H585 PolarHBondContact O-N 3.22Å; M583-L587 HydrophobicContact CE-CD1 4.03Å; M583-L587 WeakPolarHBondContact O-CB 2.96Å; M583-L587 WeakPolarHBondContact O-CG 3.24Å; M583-L587 PolarHBondContact O-N 3.03Å
584	K	97.4	Very high	97.5	Very high	158 Å²	158	61 Å²	61	69%	0.687	31%	0.31	S	S	*	.	H	α-helix	trans	-64	-40	178	-174.2	178.5	-179.2	-179.9	0	112	V580 S581 V582 R588	V580-K584 VanDerWaalsContact O-CB 3.31Å; V580-K584 WeakPolarHBondContact O-CB 3.22Å; V580-K584 PolarHBondContact O-N 3.21Å; S581-K584 PolarHBondContact O-N 3.44Å; V582-K584 VanDerWaalsContact C-N 3.34Å; V582-K584 PolarHBondContact O-N 3.33Å; K584-R588 WeakPolarHBondContact O-CB 3.22Å; K584-R588 PolarHBondContact O-N 3Å; K584-R588 VanDerWaalsContact O-N 3.13Å
585	H	97.6	Very high	97.6	Very high	75 Å²	75	60.2 Å²	60.2	35%	0.347	31%	0.307	S	S	.	.	H	α-helix	trans	-63.7	-56.7	179.3	-179.7	70.4	0	0	0	111.4	E568 S581 V582 M583 R588 I589	E568-H585 IonicContact OE1-CD2 3.61Å; E568-H585 IonicContact OE2-CD2 3.9Å; S581-H585 WeakPolarHBondContact O-CB 3.5Å; S581-H585 PolarHBondContact O-N 3.39Å; V582-H585 PolarHBondContact O-N 2.87Å; V582-H585 VanDerWaalsContact O-N 3.12Å; M583-H585 PolarHBondContact O-N 3.22Å; H585-R588 PolarHBondContact O-N 2.98Å; H585-I589 VanDerWaalsContact NE2-CD1 3.33Å; H585-I589 WeakPolarHBondContact NE2-CD1 3.4Å; H585-I589 PolarHBondContact O-N 3.18Å; H585-I589 VanDerWaalsContact O-N 3.16Å
586	V	97.6	Very high	97.7	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-46.3	-176.6	178.8	0	0	0	0	111	L181 V565 V582 R588 I589 F590	L181-V586 HydrophobicContact CD1-CB 4.38Å; L181-V586 HydrophobicContact CD1-CG1 4.03Å; L181-V586 HydrophobicContact CD2-CB 3.93Å; L181-V586 HydrophobicContact CD2-CG1 3.7Å; L181-V586 HydrophobicContact CG-CG1 4.46Å; V565-V586 HydrophobicContact CG1-CG1 4.38Å; V565-V586 HydrophobicContact CG2-CG1 3.72Å; V565-V586 HydrophobicContact CG2-CG2 4.15Å; V582-V586 HydrophobicContact CG1-CG2 4.21Å; V582-V586 WeakPolarHBondContact O-CG2 3.45Å; V582-V586 PolarHBondContact O-N 2.92Å; V586-R588 VanDerWaalsContact C-N 3.29Å; V586-R588 PolarHBondContact O-N 3.39Å; V586-I589 PolarHBondContact O-N 3.49Å; V586-F590 HydrophobicContact CG1-CD2 3.75Å; V586-F590 HydrophobicContact CG1-CE2 3.9Å; V586-F590 PolarHBondContact O-N 3.3Å
587	L	97.8	Very high	97.7	Very high	23 Å²	23	57.2 Å²	57.2	12%	0.12	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-35.4	178.5	-70.5	174.8	0	0	0	112.3	F82 L181 R184 I185 M583 N591	F82-L587 HydrophobicContact CD1-CD2 4.19Å; L181-L587 HydrophobicContact CD2-CD2 3.78Å; L181-L587 HydrophobicContact CD2-CG 3.81Å; R184-L587 HydrophobicContact CB-CD2 3.97Å; R184-L587 HydrophobicContact CG-CD2 4.46Å; I185-L587 HydrophobicContact CG1-CD2 4.37Å; M583-L587 HydrophobicContact CE-CD1 4.03Å; M583-L587 WeakPolarHBondContact O-CB 2.96Å; M583-L587 WeakPolarHBondContact O-CG 3.24Å; M583-L587 PolarHBondContact O-N 3.03Å; L587-N591 WeakPolarHBondContact O-CB 3.42Å; L587-N591 PolarHBondContact O-N 3.15Å
588	R	97.6	Very high	97.8	Very high	158 Å²	158	58.2 Å²	58.2	60%	0.596	28%	0.283	S	S	*	.	H	α-helix	trans	-63.6	-44.3	175.1	-177.2	178.7	68.3	155.6	2.6	111.5	K584 H585 V586 N591 L592	K584-R588 WeakPolarHBondContact O-CB 3.22Å; K584-R588 PolarHBondContact O-N 3Å; K584-R588 VanDerWaalsContact O-N 3.13Å; H585-R588 PolarHBondContact O-N 2.98Å; V586-R588 VanDerWaalsContact C-N 3.29Å; V586-R588 PolarHBondContact O-N 3.39Å; R588-N591 PolarHBondContact O-N 3.04Å; R588-L592 WeakPolarHBondContact O-CG 3.37Å; R588-L592 PolarHBondContact O-N 3.17Å; R588-L592 VanDerWaalsContact O-N 3.08Å
589	I	97.4	Very high	97.7	Very high	58 Å²	58	60.6 Å²	60.6	30%	0.297	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-52.2	178.2	-69	171.4	0	0	0	110.2	M561 H585 V586 N591 L592 K593	M561-I589 HydrophobicContact SD-CG2 4.36Å; H585-I589 VanDerWaalsContact NE2-CD1 3.33Å; H585-I589 WeakPolarHBondContact NE2-CD1 3.4Å; H585-I589 PolarHBondContact O-N 3.18Å; H585-I589 VanDerWaalsContact O-N 3.16Å; V586-I589 PolarHBondContact O-N 3.49Å; I589-N591 VanDerWaalsContact C-N 3.29Å; I589-N591 PolarHBondContact O-N 2.84Å; I589-L592 PolarHBondContact O-N 2.95Å; I589-K593 HydrophobicContact CG2-CD 4.38Å; I589-K593 PolarHBondContact O-N 2.98Å
590	F	97.9	Very high	97.7	Very high	5 Å²	5	62.7 Å²	62.7	2%	0.022	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-29.4	-179.7	-85	-83.3	0	0	0	113.2	F82 I185 F189 P213 M561 V565 V586 K593 F594	F82-F590 HydrophobicContact CE1-CB 3.83Å; F82-F590 HydrophobicContact CZ-CB 4.45Å; I185-F590 HydrophobicContact CD1-CB 4.03Å; I185-F590 HydrophobicContact CD1-CD1 4.01Å; I185-F590 HydrophobicContact CD1-CD2 3.41Å; I185-F590 VanDerWaalsContact CD1-CD2 3.41Å; I185-F590 HydrophobicContact CD1-CE1 4.26Å; I185-F590 HydrophobicContact CD1-CE2 3.7Å; I185-F590 HydrophobicContact CD1-CG 3.55Å; I185-F590 HydrophobicContact CD1-CZ 4.1Å; I185-F590 HydrophobicContact CG1-CB 3.92Å; I185-F590 HydrophobicContact CG1-CD1 4.24Å; I185-F590 HydrophobicContact CG1-CD2 4.25Å; I185-F590 HydrophobicContact CG1-CG 3.9Å; I185-F590 HydrophobicContact CG2-CB 4.42Å; I185-F590 HydrophobicContact CG2-CD1 3.5Å; I185-F590 HydrophobicContact CG2-CE1 3.84Å; I185-F590 HydrophobicContact CG2-CG 4.04Å; F189-F590 HydrophobicContact CE2-CD1 4.41Å; P213-F590 HydrophobicContact CB-CE1 4.42Å; P213-F590 HydrophobicContact CB-CZ 4.15Å; M561-F590 HydrophobicContact CE-CE1 3.89Å; M561-F590 HydrophobicContact CE-CZ 3.96Å; M561-F590 HydrophobicContact CG-CE2 4.41Å; M561-F590 HydrophobicContact CG-CZ 4.32Å; M561-F590 HydrophobicContact SD-CD1 4.16Å; M561-F590 HydrophobicContact SD-CD2 3.99Å; M561-F590 HydrophobicContact SD-CE1 3.54Å; M561-F590 VanDerWaalsContact SD-CE1 3.54Å; M561-F590 HydrophobicContact SD-CE2 3.34Å; M561-F590 WeakPolarHBondContact SD-CE2 3.34Å; M561-F590 HydrophobicContact SD-CG 4.38Å; M561-F590 HydrophobicContact SD-CZ 3.1Å; M561-F590 WeakPolarHBondContact SD-CZ 3.43Å; V565-F590 HydrophobicContact CG2-CE2 4.24Å; V586-F590 HydrophobicContact CG1-CD2 3.75Å; V586-F590 HydrophobicContact CG1-CE2 3.9Å; V586-F590 PolarHBondContact O-N 3.3Å; F590-K593 PolarHBondContact O-N 2.9Å; F590-F594 WeakPolarHBondContact O-CB 3.4Å; F590-F594 PolarHBondContact O-N 3.03Å
591	N	97.8	Very high	97.7	Very high	31 Å²	31	58.6 Å²	58.6	17%	0.166	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-44.3	173.8	-176.9	-85.2	0	0	0	111.2	F82 L587 R588 I589 F594 F595	F82-N591 HydrophobicContact CB-CB 4.45Å; F82-N591 WeakPolarHBondContact CB-ND2 3.43Å; F82-N591 HydrophobicContact CD1-CB 3.79Å; F82-N591 HydrophobicContact CD2-CB 4.35Å; F82-N591 VanDerWaalsContact CD2-ND2 3.34Å; F82-N591 WeakPolarHBondContact CD2-ND2 3.46Å; F82-N591 HydrophobicContact CE1-CB 4.08Å; F82-N591 HydrophobicContact CG-CB 3.94Å; F82-N591 VanDerWaalsContact CG-ND2 3.3Å; F82-N591 WeakPolarHBondContact CG-ND2 3.4Å; F82-N591 HydrophobicContact CZ-CB 4.47Å; L587-N591 WeakPolarHBondContact O-CB 3.42Å; L587-N591 PolarHBondContact O-N 3.15Å; R588-N591 PolarHBondContact O-N 3.04Å; I589-N591 VanDerWaalsContact C-N 3.29Å; I589-N591 PolarHBondContact O-N 2.84Å; N591-F594 WeakPolarHBondContact O-CB 3.26Å; N591-F594 PolarHBondContact O-N 3.36Å; N591-F595 VanDerWaalsContact O-CD2 3.27Å; N591-F595 WeakPolarHBondContact O-CD2 3.2Å; N591-F595 PolarHBondContact O-N 3.23Å; N591-F595 VanDerWaalsContact OD1-CD2 3.24Å; N591-F595 WeakPolarHBondContact OD1-CD2 3.34Å; N591-F595 WeakPolarHBondContact OD1-CE2 3.31Å
592	L	97.9	Very high	97.4	Very high	111 Å²	111	60 Å²	60	58%	0.581	28%	0.281	S	S	*	.	H	α-helix	trans	-61.7	-44.8	174.2	-69.7	171.7	0	0	0	111.8	R588 I589 F594 F595 Y596	R588-L592 WeakPolarHBondContact O-CG 3.37Å; R588-L592 PolarHBondContact O-N 3.17Å; R588-L592 VanDerWaalsContact O-N 3.08Å; I589-L592 PolarHBondContact O-N 2.95Å; L592-F594 VanDerWaalsContact C-N 3.32Å; L592-F594 PolarHBondContact O-N 3.43Å; L592-F595 PolarHBondContact O-N 2.89Å; L592-Y596 PolarHBondContact O-N 3.44Å
593	K	97.9	Very high	97.1	Very high	27 Å²	27	62.5 Å²	62.5	12%	0.117	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-39	174.8	-70.9	-173.2	171.3	-67.9	0	112.2	D553 E555 L556 M561 I589 F590 Y596 F597	D553-K593 IonicContact OD1-NZ 3.31Å; D553-K593 PolarHBondContact OD1-NZ 2.93Å; D553-K593 VanDerWaalsContact OD2-CD 3.31Å; D553-K593 WeakPolarHBondContact OD2-CD 3.48Å; D553-K593 WeakPolarHBondContact OD2-CG 3.39Å; D553-K593 IonicContact OD2-NZ 2.82Å; D553-K593 PolarHBondContact OD2-NZ 3.43Å; E555-K593 WeakPolarHBondContact OE2-CE 3.31Å; E555-K593 IonicContact OE2-NZ 4Å; E555-K593 PolarHBondContact OE2-NZ 3.45Å; L556-K593 HydrophobicContact CD2-CB 4.41Å; L556-K593 HydrophobicContact CD2-CD 4.2Å; M561-K593 HydrophobicContact CE-CD 3.44Å; M561-K593 VanDerWaalsContact CE-CD 3.44Å; M561-K593 VanDerWaalsContact CE-CE 3.46Å; M561-K593 HydrophobicContact SD-CD 4.04Å; I589-K593 HydrophobicContact CG2-CD 4.38Å; I589-K593 PolarHBondContact O-N 2.98Å; F590-K593 PolarHBondContact O-N 2.9Å; K593-Y596 PolarHBondContact O-N 3.09Å; K593-F597 VanDerWaalsContact O-CB 3.27Å; K593-F597 WeakPolarHBondContact O-CB 3.33Å; K593-F597 PolarHBondContact O-N 3.01Å
594	F	98.3	Very high	96.9	Very high	3 Å²	3	62 Å²	62	1%	0.013	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-46.5	174.6	177.5	-97.8	0	0	0	111.7	P78 A79 F82 A188 F189 F192 F590 N591 L592 Y596 F597 V598	P78-F594 HydrophobicContact CB-CZ 3.93Å; A79-F594 HydrophobicContact CB-CD1 4.45Å; A79-F594 HydrophobicContact CB-CE1 3.89Å; F82-F594 HydrophobicContact CE2-CB 3.66Å; F82-F594 AromaticContact CE2-CD1 3.76Å; F82-F594 HydrophobicContact CE2-CD1 3.76Å; F82-F594 HydrophobicContact CE2-CD2 4.19Å; F82-F594 AromaticContact CE2-CG 3.58Å; F82-F594 HydrophobicContact CE2-CG 3.58Å; F82-F594 HydrophobicContact CZ-CB 3.64Å; F82-F594 HydrophobicContact CZ-CG 4.02Å; A188-F594 HydrophobicContact CB-CD2 4.28Å; A188-F594 HydrophobicContact CB-CE2 4.2Å; A188-F594 WeakPolarHBondContact O-CE2 3.45Å; F189-F594 HydrophobicContact CD1-CD2 4.03Å; F189-F594 AromaticContact CD2-CD2 3.79Å; F189-F594 HydrophobicContact CD2-CD2 3.79Å; F189-F594 HydrophobicContact CE1-CB 4.44Å; F189-F594 HydrophobicContact CE1-CD2 4.08Å; F189-F594 HydrophobicContact CE2-CB 3.74Å; F189-F594 AromaticContact CE2-CD2 3.85Å; F189-F594 HydrophobicContact CE2-CD2 3.85Å; F189-F594 HydrophobicContact CE2-CG 4.28Å; F189-F594 AromaticContact CG-CD2 3.9Å; F189-F594 HydrophobicContact CG-CD2 3.9Å; F189-F594 HydrophobicContact CG-CE2 4.47Å; F189-F594 HydrophobicContact CZ-CB 3.71Å; F189-F594 HydrophobicContact CZ-CD2 4.01Å; F189-F594 HydrophobicContact CZ-CG 4.38Å; F192-F594 HydrophobicContact CB-CE2 3.88Å; F192-F594 HydrophobicContact CB-CZ 3.92Å; F192-F594 HydrophobicContact CD2-CZ 4.46Å; F192-F594 HydrophobicContact CG-CE2 4.28Å; F192-F594 HydrophobicContact CG-CZ 4.19Å; F590-F594 WeakPolarHBondContact O-CB 3.4Å; F590-F594 PolarHBondContact O-N 3.03Å; N591-F594 WeakPolarHBondContact O-CB 3.26Å; N591-F594 PolarHBondContact O-N 3.36Å; L592-F594 VanDerWaalsContact C-N 3.32Å; L592-F594 PolarHBondContact O-N 3.43Å; F594-Y596 VanDerWaalsContact C-N 3.33Å; F594-Y596 PolarHBondContact O-N 3.45Å; F594-F597 WeakPolarHBondContact O-CB 3.46Å; F594-F597 PolarHBondContact O-N 3.15Å; F594-V598 HydrophobicContact CD1-CG2 4.18Å; F594-V598 HydrophobicContact CD2-CG2 4.49Å; F594-V598 HydrophobicContact CE1-CG2 3.67Å; F594-V598 HydrophobicContact CE2-CG2 4.02Å; F594-V598 HydrophobicContact CZ-CG2 3.57Å; F594-V598 WeakPolarHBondContact O-CG2 3.19Å; F594-V598 PolarHBondContact O-N 3.13Å
595	F	98	Very high	96.6	Very high	104 Å²	104	55.3 Å²	55.3	46%	0.456	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-45.4	175.2	-87.8	-68.3	0	0	0	112	A79 N591 L592 F597 V598 L599	A79-F595 HydrophobicContact CB-CZ 4.3Å; N591-F595 VanDerWaalsContact O-CD2 3.27Å; N591-F595 WeakPolarHBondContact O-CD2 3.2Å; N591-F595 PolarHBondContact O-N 3.23Å; N591-F595 VanDerWaalsContact OD1-CD2 3.24Å; N591-F595 WeakPolarHBondContact OD1-CD2 3.34Å; N591-F595 WeakPolarHBondContact OD1-CE2 3.31Å; L592-F595 PolarHBondContact O-N 2.89Å; F595-F597 VanDerWaalsContact C-N 3.32Å; F595-F597 PolarHBondContact O-N 3.49Å; F595-V598 PolarHBondContact O-N 3.31Å; F595-L599 WeakPolarHBondContact O-CG 3.2Å; F595-L599 PolarHBondContact O-N 2.65Å
596	Y	98.1	Very high	96.1	Very high	106 Å²	106	54.6 Å²	54.6	42%	0.416	26%	0.264	S	S	.	.	H	α-helix	trans	-62.4	-40.8	175.8	-176.1	-108.7	0	0	0	112	I552 D553 L592 K593 F594 L599 K600	I552-Y596 HydrophobicContact CG2-CD1 4.26Å; I552-Y596 HydrophobicContact CG2-CE1 4.25Å; I552-Y596 VanDerWaalsContact O-CE1 3.25Å; I552-Y596 WeakPolarHBondContact O-CE1 3.29Å; D553-Y596 HydrophobicContact CB-CD1 4.44Å; L592-Y596 PolarHBondContact O-N 3.44Å; K593-Y596 PolarHBondContact O-N 3.09Å; F594-Y596 VanDerWaalsContact C-N 3.33Å; F594-Y596 PolarHBondContact O-N 3.45Å; Y596-L599 PolarHBondContact O-N 3.36Å; Y596-K600 HydrophobicContact CD2-CG 4.28Å; Y596-K600 HydrophobicContact CE1-CG 4.27Å; Y596-K600 HydrophobicContact CE2-CG 3.83Å; Y596-K600 WeakPolarHBondContact O-CB 3.24Å; Y596-K600 WeakPolarHBondContact O-CG 3.24Å; Y596-K600 PolarHBondContact O-N 2.62Å
597	F	98.2	Very high	95.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-46.7	175.1	176.8	-96.4	0	0	0	112.4	F189 F192 Q193 Y549 I552 L556 K593 F594 F595 L599 K600 I601 M604	F189-F597 AromaticContact CD1-CD1 3.86Å; F189-F597 HydrophobicContact CD1-CD1 3.86Å; F189-F597 HydrophobicContact CD1-CE1 4.14Å; F189-F597 HydrophobicContact CD1-CG 4.11Å; F189-F597 HydrophobicContact CE1-CB 3.83Å; F189-F597 AromaticContact CE1-CD1 3.93Å; F189-F597 HydrophobicContact CE1-CD1 3.93Å; F189-F597 HydrophobicContact CE1-CD2 4.29Å; F189-F597 AromaticContact CE1-CG 3.76Å; F189-F597 HydrophobicContact CE1-CG 3.76Å; F192-F597 HydrophobicContact CD1-CD1 4.15Å; F192-F597 AromaticContact CD1-CE1 3.75Å; F192-F597 HydrophobicContact CD1-CE1 3.75Å; F192-F597 HydrophobicContact CE1-CD1 4.17Å; F192-F597 AromaticContact CE1-CE1 3.88Å; F192-F597 HydrophobicContact CE1-CE1 3.88Å; Q193-F597 HydrophobicContact CG-CE1 3.79Å; Q193-F597 HydrophobicContact CG-CZ 3.8Å; Y549-F597 HydrophobicContact CD1-CD2 4.21Å; Y549-F597 AromaticContact CD1-CE2 3.51Å; Y549-F597 HydrophobicContact CD1-CE2 3.51Å; Y549-F597 HydrophobicContact CD1-CZ 4.16Å; Y549-F597 AromaticContact CE1-CE2 3.62Å; Y549-F597 HydrophobicContact CE1-CE2 3.62Å; Y549-F597 AromaticContact CE1-CZ 3.78Å; Y549-F597 HydrophobicContact CE1-CZ 3.78Å; I552-F597 HydrophobicContact CB-CD2 4.38Å; I552-F597 HydrophobicContact CD1-CD2 3.69Å; I552-F597 HydrophobicContact CD1-CE2 3.61Å; I552-F597 HydrophobicContact CG2-CB 4.34Å; I552-F597 HydrophobicContact CG2-CD2 3.91Å; L556-F597 HydrophobicContact CD1-CD2 4.19Å; K593-F597 VanDerWaalsContact O-CB 3.27Å; K593-F597 WeakPolarHBondContact O-CB 3.33Å; K593-F597 PolarHBondContact O-N 3.01Å; F594-F597 WeakPolarHBondContact O-CB 3.46Å; F594-F597 PolarHBondContact O-N 3.15Å; F595-F597 VanDerWaalsContact C-N 3.32Å; F595-F597 PolarHBondContact O-N 3.49Å; F597-L599 PolarHBondContact O-N 3.13Å; F597-K600 CarbonylContact O-C 3.51Å; F597-K600 PolarHBondContact O-N 3.03Å; F597-I601 HydrophobicContact CE1-CD1 3.82Å; F597-I601 HydrophobicContact CE2-CD1 4.32Å; F597-I601 HydrophobicContact CZ-CD1 3.63Å; F597-I601 WeakPolarHBondContact O-CA 3.19Å; F597-I601 PolarHBondContact O-N 2.97Å; F597-M604 HydrophobicContact CE2-CE 4.33Å; F597-M604 HydrophobicContact CE2-SD 4.46Å; F597-M604 HydrophobicContact CZ-SD 4.24Å
598	V	97.6	Very high	95.2	Very high	45 Å²	45	55 Å²	55	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-60.7	-44.6	175.7	171.8	0	0	0	0	111.1	F192 F594 F595 K600 I601	F192-V598 HydrophobicContact CD1-CG2 4.14Å; F192-V598 HydrophobicContact CD2-CG2 3.86Å; F192-V598 HydrophobicContact CE1-CB 4.48Å; F192-V598 HydrophobicContact CE1-CG2 3.95Å; F192-V598 HydrophobicContact CE2-CB 4.19Å; F192-V598 HydrophobicContact CE2-CG1 3.71Å; F192-V598 HydrophobicContact CE2-CG2 3.69Å; F192-V598 HydrophobicContact CG-CG2 4.08Å; F192-V598 HydrophobicContact CZ-CB 4.01Å; F192-V598 HydrophobicContact CZ-CG1 3.79Å; F192-V598 HydrophobicContact CZ-CG2 3.74Å; F594-V598 HydrophobicContact CD1-CG2 4.18Å; F594-V598 HydrophobicContact CD2-CG2 4.49Å; F594-V598 HydrophobicContact CE1-CG2 3.67Å; F594-V598 HydrophobicContact CE2-CG2 4.02Å; F594-V598 HydrophobicContact CZ-CG2 3.57Å; F594-V598 WeakPolarHBondContact O-CG2 3.19Å; F594-V598 PolarHBondContact O-N 3.13Å; F595-V598 PolarHBondContact O-N 3.31Å; V598-K600 PolarHBondContact O-N 2.72Å; V598-I601 VanDerWaalsContact O-CG2 3.31Å; V598-I601 WeakPolarHBondContact O-CG2 3.23Å; V598-I601 PolarHBondContact O-N 3.11Å
599	L	97.3	Very high	94.6	Very high	135 Å²	135	52.5 Å²	52.5	71%	0.707	26%	0.261	S	S	*	.	H	α-helix	trans	-63	-29.9	178.4	-75.4	169.6	0	0	0	113.1	F595 Y596 F597	F595-L599 WeakPolarHBondContact O-CG 3.2Å; F595-L599 PolarHBondContact O-N 2.65Å; Y596-L599 PolarHBondContact O-N 3.36Å; F597-L599 PolarHBondContact O-N 3.13Å
600	K	96.8	Very high	93.8	Very high	90 Å²	90	55.9 Å²	55.9	39%	0.391	28%	0.279	S	S	.	.	H	α-helix	trans	-108.5	10.4	-175.6	-63.1	-60.9	-173.5	179	0	113.9	I552 Y596 F597 V598 N602 L603	I552-K600 HydrophobicContact CG1-CB 4.21Å; I552-K600 HydrophobicContact CG2-CB 3.98Å; Y596-K600 HydrophobicContact CD2-CG 4.28Å; Y596-K600 HydrophobicContact CE1-CG 4.27Å; Y596-K600 HydrophobicContact CE2-CG 3.83Å; Y596-K600 WeakPolarHBondContact O-CB 3.24Å; Y596-K600 WeakPolarHBondContact O-CG 3.24Å; Y596-K600 PolarHBondContact O-N 2.62Å; F597-K600 CarbonylContact O-C 3.51Å; F597-K600 PolarHBondContact O-N 3.03Å; V598-K600 PolarHBondContact O-N 2.72Å; K600-N602 PolarHBondContact O-N 3.27Å; K600-L603 HydrophobicContact CB-CD1 4.16Å; K600-L603 HydrophobicContact CD-CD1 4.49Å; K600-L603 WeakPolarHBondContact O-CB 3.31Å; K600-L603 PolarHBondContact O-N 3.36Å
601	I	96.2	Very high	93	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.041	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.1	-175.6	-170.4	58	0	0	0	113.6	F192 F196 F197 F597 V598 L603 M604 D605	F192-I601 HydrophobicContact CE1-CB 4.05Å; F192-I601 HydrophobicContact CE1-CD1 3.85Å; F192-I601 HydrophobicContact CE1-CG1 3.72Å; F192-I601 HydrophobicContact CZ-CB 4.16Å; F192-I601 HydrophobicContact CZ-CG1 4.12Å; F192-I601 HydrophobicContact CZ-CG2 4.23Å; F196-I601 HydrophobicContact CD1-CG1 3.75Å; F196-I601 HydrophobicContact CD2-CG1 4.15Å; F196-I601 HydrophobicContact CD2-CG2 4.15Å; F196-I601 HydrophobicContact CE1-CG1 3.67Å; F196-I601 HydrophobicContact CE1-CG2 4.38Å; F196-I601 HydrophobicContact CE2-CB 4.48Å; F196-I601 HydrophobicContact CE2-CG1 4.08Å; F196-I601 HydrophobicContact CE2-CG2 3.53Å; F196-I601 HydrophobicContact CG-CG1 4Å; F196-I601 HydrophobicContact CZ-CB 4.4Å; F196-I601 HydrophobicContact CZ-CG1 3.83Å; F196-I601 HydrophobicContact CZ-CG2 3.67Å; F197-I601 HydrophobicContact CE2-CD1 4.26Å; F197-I601 HydrophobicContact CZ-CD1 4.41Å; F597-I601 HydrophobicContact CE1-CD1 3.82Å; F597-I601 HydrophobicContact CE2-CD1 4.32Å; F597-I601 HydrophobicContact CZ-CD1 3.63Å; F597-I601 WeakPolarHBondContact O-CA 3.19Å; F597-I601 PolarHBondContact O-N 2.97Å; V598-I601 VanDerWaalsContact O-CG2 3.31Å; V598-I601 WeakPolarHBondContact O-CG2 3.23Å; V598-I601 PolarHBondContact O-N 3.11Å; I601-L603 PolarHBondContact O-N 3.39Å; I601-L603 VanDerWaalsContact O-N 3.16Å; I601-M604 HydrophobicContact CD1-CB 4.37Å; I601-M604 HydrophobicContact CD1-SD 4.28Å; I601-M604 PolarHBondContact O-N 3.39Å; I601-D605 PolarHBondContact O-N 3.42Å
602	N	91.6	Very high	92.3	Very high	100 Å²	100	57.2 Å²	57.2	54%	0.535	29%	0.288	S	S	.	.	H	α-helix	trans	-59.9	-26	177.4	-65.5	-30.3	0	0	0	113	K600 M604 D605 T606	K600-N602 PolarHBondContact O-N 3.27Å; N602-M604 VanDerWaalsContact C-N 3.35Å; N602-D605 WeakPolarHBondContact O-CB 3.3Å; N602-D605 PolarHBondContact O-N 3.47Å; N602-T606 PolarHBondContact O-N 2.7Å; N602-T606 PolarHBondContact O-OG1 2.87Å
603	L	91.6	Very high	91.4	Very high	63 Å²	63	54.7 Å²	54.7	33%	0.33	28%	0.277	S	S	.	.	H	α-helix	trans	-65.8	-38.2	175.1	-64.1	179.7	0	0	0	112.4	K551 I552 K600 I601	K551-L603 HydrophobicContact CD-CB 4.31Å; K551-L603 HydrophobicContact CG-CB 4.31Å; I552-L603 HydrophobicContact CG1-CB 4.01Å; I552-L603 HydrophobicContact CG1-CD1 4.33Å; K600-L603 HydrophobicContact CB-CD1 4.16Å; K600-L603 HydrophobicContact CD-CD1 4.49Å; K600-L603 WeakPolarHBondContact O-CB 3.31Å; K600-L603 PolarHBondContact O-N 3.36Å; I601-L603 PolarHBondContact O-N 3.39Å; I601-L603 VanDerWaalsContact O-N 3.16Å
604	M	93.8	Very high	90.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-73.8	-42	172.4	175.8	179.5	-90.8	0	0	109.9	F197 L545 G548 Y549 I552 F597 I601 N602 T606 L607 F608	F197-M604 HydrophobicContact CE2-CG 4.48Å; F197-M604 HydrophobicContact CE2-SD 4.01Å; F197-M604 HydrophobicContact CZ-CG 4.05Å; F197-M604 HydrophobicContact CZ-SD 4.18Å; L545-M604 HydrophobicContact CD2-CE 4.23Å; L545-M604 WeakPolarHBondContact O-CE 3.4Å; G548-M604 VanDerWaalsContact C-CE 3.47Å; Y549-M604 HydrophobicContact CD1-CE 3.76Å; Y549-M604 HydrophobicContact CD2-CE 4.17Å; Y549-M604 HydrophobicContact CE1-CE 3.9Å; Y549-M604 HydrophobicContact CE2-CE 4.29Å; Y549-M604 HydrophobicContact CG-CE 3.88Å; I552-M604 HydrophobicContact CD1-CB 3.83Å; F597-M604 HydrophobicContact CE2-CE 4.33Å; F597-M604 HydrophobicContact CE2-SD 4.46Å; F597-M604 HydrophobicContact CZ-SD 4.24Å; I601-M604 HydrophobicContact CD1-CB 4.37Å; I601-M604 HydrophobicContact CD1-SD 4.28Å; I601-M604 PolarHBondContact O-N 3.39Å; N602-M604 VanDerWaalsContact C-N 3.35Å; M604-T606 VanDerWaalsContact C-N 3.32Å; M604-T606 PolarHBondContact O-N 3.36Å; M604-L607 WeakPolarHBondContact O-CB 3.22Å; M604-L607 PolarHBondContact O-N 3.05Å; M604-F608 HydrophobicContact CG-CD2 3.83Å; M604-F608 HydrophobicContact CG-CE2 3.64Å; M604-F608 WeakPolarHBondContact O-CD2 3.4Å; M604-F608 PolarHBondContact O-N 3Å; M604-F608 HydrophobicContact SD-CE2 4.12Å
605	D	91.5	Very high	88.9	Confident	17 Å²	17	55.9 Å²	55.9	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-54.7	-44.3	178.9	-168.4	47.9	0	0	0	113.3	F196 F197 K200 Y201 I601 N602 L607 F608 E609	F196-D605 HydrophobicContact CE1-CB 4Å; F196-D605 HydrophobicContact CZ-CB 4.36Å; F197-D605 HydrophobicContact CE1-CB 4.37Å; F197-D605 WeakPolarHBondContact CE1-OD1 3.49Å; K200-D605 VanDerWaalsContact CE-OD1 3.23Å; K200-D605 WeakPolarHBondContact CE-OD1 3.32Å; K200-D605 WeakPolarHBondContact CE-OD2 3.44Å; K200-D605 IonicContact NZ-OD1 3.52Å; K200-D605 PolarHBondContact NZ-OD1 3.02Å; K200-D605 IonicContact NZ-OD2 2.63Å; K200-D605 PolarHBondContact NZ-OD2 2.95Å; Y201-D605 PolarHBondContact OH-O 2.9Å; Y201-D605 PolarHBondContact OH-OD1 3.3Å; I601-D605 PolarHBondContact O-N 3.42Å; N602-D605 WeakPolarHBondContact O-CB 3.3Å; N602-D605 PolarHBondContact O-N 3.47Å; D605-L607 VanDerWaalsContact C-N 3.29Å; D605-L607 PolarHBondContact O-N 2.94Å; D605-F608 CarbonylContact O-C 3.56Å; D605-F608 WeakPolarHBondContact O-CA 3.39Å; D605-F608 WeakPolarHBondContact O-CB 3.35Å; D605-F608 PolarHBondContact O-N 3.21Å; D605-E609 PolarHBondContact O-N 2.91Å
606	T	86.5	Confident	87.5	Confident	60 Å²	60	53 Å²	53	37%	0.368	28%	0.282	S	S	.	.	H	α-helix	trans	-57.3	-40.4	176.1	-54.8	0	0	0	0	112.3	N602 M604 F608 E609 D610	N602-T606 PolarHBondContact O-N 2.7Å; N602-T606 PolarHBondContact O-OG1 2.87Å; M604-T606 VanDerWaalsContact C-N 3.32Å; M604-T606 PolarHBondContact O-N 3.36Å; T606-F608 VanDerWaalsContact C-N 3.3Å; T606-F608 PolarHBondContact O-N 3.32Å; T606-E609 PolarHBondContact O-N 2.86Å; T606-D610 PolarHBondContact O-N 2.84Å
607	L	87.3	Confident	86.3	Confident	34 Å²	34	54.2 Å²	54.2	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-36.8	177.4	-60.8	175.3	0	0	0	111.7	L544 H547 K551 M604 D605 S611	L544-L607 HydrophobicContact CD2-CB 3.99Å; L544-L607 WeakPolarHBondContact CD2-O 3.38Å; H547-L607 HydrophobicContact CB-CD1 4.13Å; K551-L607 HydrophobicContact CD-CD1 4.18Å; K551-L607 HydrophobicContact CD-CG 4.46Å; M604-L607 WeakPolarHBondContact O-CB 3.22Å; M604-L607 PolarHBondContact O-N 3.05Å; D605-L607 VanDerWaalsContact C-N 3.29Å; D605-L607 PolarHBondContact O-N 2.94Å; L607-S611 WeakPolarHBondContact O-CB 3.06Å; L607-S611 PolarHBondContact O-N 3.02Å; L607-S611 PolarHBondContact O-OG 2.88Å
608	F	89.4	Confident	84.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-70.8	-38.6	176	-83.4	-109.4	0	0	0	111.3	F197 Y201 L204 L209 L541 L544 L545 M604 D605 T606 S611 Y612	F197-F608 HydrophobicContact CE1-CB 4.2Å; F197-F608 HydrophobicContact CE1-CD1 4.42Å; F197-F608 HydrophobicContact CE1-CD2 4.47Å; F197-F608 HydrophobicContact CE1-CG 4.12Å; F197-F608 HydrophobicContact CZ-CD2 4.3Å; F197-F608 HydrophobicContact CZ-CG 4.38Å; Y201-F608 HydrophobicContact CD2-CB 4.28Å; Y201-F608 HydrophobicContact CE2-CB 3.59Å; Y201-F608 HydrophobicContact CE2-CG 4.48Å; L204-F608 HydrophobicContact CD1-CD1 4.41Å; L204-F608 HydrophobicContact CD1-CE1 4.05Å; L204-F608 HydrophobicContact CD2-CD1 3.84Å; L204-F608 HydrophobicContact CD2-CE1 3.97Å; L209-F608 HydrophobicContact CD2-CE1 4.15Å; L209-F608 HydrophobicContact CD2-CZ 4.24Å; L541-F608 HydrophobicContact CD1-CE1 3.92Å; L541-F608 HydrophobicContact CD1-CZ 4.11Å; L544-F608 HydrophobicContact CB-CD2 4.36Å; L544-F608 HydrophobicContact CB-CE2 3.9Å; L544-F608 HydrophobicContact CB-CZ 4.11Å; L545-F608 HydrophobicContact CD2-CZ 4.14Å; L545-F608 HydrophobicContact CG-CZ 4.36Å; M604-F608 HydrophobicContact CG-CD2 3.83Å; M604-F608 HydrophobicContact CG-CE2 3.64Å; M604-F608 WeakPolarHBondContact O-CD2 3.4Å; M604-F608 PolarHBondContact O-N 3Å; M604-F608 HydrophobicContact SD-CE2 4.12Å; D605-F608 CarbonylContact O-C 3.56Å; D605-F608 WeakPolarHBondContact O-CA 3.39Å; D605-F608 WeakPolarHBondContact O-CB 3.35Å; D605-F608 PolarHBondContact O-N 3.21Å; T606-F608 VanDerWaalsContact C-N 3.3Å; T606-F608 PolarHBondContact O-N 3.32Å; F608-S611 CarbonylContact O-C 3.58Å; F608-S611 PolarHBondContact O-N 2.84Å; F608-S611 VanDerWaalsContact O-N 3.16Å; F608-Y612 HydrophobicContact CB-CD2 4.33Å; F608-Y612 AromaticContact CD1-CD2 3.71Å; F608-Y612 HydrophobicContact CD1-CD2 3.71Å; F608-Y612 AromaticContact CD1-CE2 3.69Å; F608-Y612 HydrophobicContact CD1-CE2 3.69Å; F608-Y612 HydrophobicContact CE1-CD2 4.45Å; F608-Y612 AromaticContact CE1-CE2 3.98Å; F608-Y612 HydrophobicContact CE1-CE2 3.98Å; F608-Y612 HydrophobicContact CG-CD2 4.32Å; F608-Y612 WeakPolarHBondContact O-CB 3.37Å; F608-Y612 PolarHBondContact O-N 3.37Å
609	E	85.4	Confident	83.5	Confident	106 Å²	106	54.3 Å²	54.3	50%	0.495	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-41.5	175.9	-169.8	171.4	-159.1	0	0	112.2	Y201 D605 T606 S611	Y201-E609 HydrophobicContact CE1-CB 4.07Å; Y201-E609 HydrophobicContact CE1-CG 4.4Å; Y201-E609 PolarHBondContact OH-N 3.18Å; D605-E609 PolarHBondContact O-N 2.91Å; T606-E609 PolarHBondContact O-N 2.86Å; E609-S611 PolarHBondContact O-N 3.37Å
610	D	79.8	Confident	82.7	Confident	128 Å²	128	56 Å²	56	68%	0.684	30%	0.303	S	S	*	.	H	α-helix	trans	-64.6	-24.5	175.9	-69.3	-24.6	0	0	0	112.7	T606	T606-D610 PolarHBondContact O-N 2.84Å
611	S	82.3	Confident	82.2	Confident	39 Å²	39	56.1 Å²	56.1	27%	0.273	31%	0.312	S	S	.	.	H	α-helix	trans	-103.9	-34.7	-172.7	-77.8	0	0	0	0	114	K540 L544 L607 F608 E609	K540-S611 WeakPolarHBondContact CE-O 3.28Å; K540-S611 PolarHBondContact NZ-O 2.94Å; L544-S611 VanDerWaalsContact CD1-CB 3.48Å; L544-S611 WeakPolarHBondContact CD2-OG 3.45Å; L607-S611 WeakPolarHBondContact O-CB 3.06Å; L607-S611 PolarHBondContact O-N 3.02Å; L607-S611 PolarHBondContact O-OG 2.88Å; F608-S611 CarbonylContact O-C 3.58Å; F608-S611 PolarHBondContact O-N 2.84Å; F608-S611 VanDerWaalsContact O-N 3.16Å; E609-S611 PolarHBondContact O-N 3.37Å
612	Y	83	Confident	82	Confident	25 Å²	25	57 Å²	57	10%	0.098	32%	0.316	C	S	.	.	S	Bend	trans	-114.4	144.9	-173.1	-70.8	-81.1	0	0	0	110.6	D203 L204 L544 F608	D203-Y612 HydrophobicContact CB-CD1 4.5Å; L204-Y612 HydrophobicContact CB-CD1 4.05Å; L204-Y612 HydrophobicContact CB-CE1 4.2Å; L204-Y612 HydrophobicContact CB-CG 4.31Å; L204-Y612 HydrophobicContact CD1-CE1 4.05Å; L204-Y612 HydrophobicContact CD1-CE2 3.95Å; L544-Y612 HydrophobicContact CD1-CD2 4.05Å; L544-Y612 HydrophobicContact CD1-CE2 3.43Å; L544-Y612 VanDerWaalsContact CD1-CE2 3.43Å; F608-Y612 HydrophobicContact CB-CD2 4.33Å; F608-Y612 AromaticContact CD1-CD2 3.71Å; F608-Y612 HydrophobicContact CD1-CD2 3.71Å; F608-Y612 AromaticContact CD1-CE2 3.69Å; F608-Y612 HydrophobicContact CD1-CE2 3.69Å; F608-Y612 HydrophobicContact CE1-CD2 4.45Å; F608-Y612 AromaticContact CE1-CE2 3.98Å; F608-Y612 HydrophobicContact CE1-CE2 3.98Å; F608-Y612 HydrophobicContact CG-CD2 4.32Å; F608-Y612 WeakPolarHBondContact O-CB 3.37Å; F608-Y612 PolarHBondContact O-N 3.37Å
613	T	78.2	Confident	82.1	Confident	58 Å²	58	52.6 Å²	52.6	36%	0.356	29%	0.292	S	S	.	.			trans	-73	133.2	178.6	55.1	0	0	0	0	111	Y201 G202 D203 A618	Y201-T613 CarbonylContact C-O 3.48Å; Y201-T613 WeakPolarHBondContact CA-O 3.22Å; G202-T613 PolarHBondContact N-O 2.93Å; D203-T613 VanDerWaalsContact CG-OG1 3.24Å; D203-T613 PolarHBondContact OD1-N 3.18Å; D203-T613 PolarHBondContact OD1-OG1 3.48Å; T613-A618 WeakPolarHBondContact OG1-CB 3.47Å
614	T	76.4	Confident	82.3	Confident	37 Å²	37	54.7 Å²	54.7	23%	0.227	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-59	152	172.7	67.8	0	0	0	0	110.3	A616 E617 A618	T614-A616 PolarHBondContact O-N 2.94Å; T614-A616 VanDerWaalsContact O-N 3.15Å; T614-E617 PolarHBondContact O-N 3.23Å; T614-E617 WeakPolarHBondContact OG1-CB 3.41Å; T614-E617 VanDerWaalsContact OG1-CD 3.26Å; T614-E617 WeakPolarHBondContact OG1-CG 3.1Å; T614-E617 PolarHBondContact OG1-N 3.41Å; T614-E617 PolarHBondContact OG1-OE2 2.89Å; T614-A618 VanDerWaalsContact O-CB 3.28Å; T614-A618 WeakPolarHBondContact O-CB 3.39Å; T614-A618 PolarHBondContact O-N 3.44Å
615	L	68.7	Low	82.3	Confident	19 Å²	19	54.7 Å²	54.7	10%	0.099	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-36.6	175.5	-90.2	167.3	0	0	0	113.9	E199 K200 E617 I635 H643	E199-L615 VanDerWaalsContact C-CD1 3.44Å; E199-L615 HydrophobicContact CB-CD1 4.17Å; E199-L615 WeakPolarHBondContact O-CD1 3.29Å; K200-L615 PolarHBondContact O-N 2.85Å; L615-E617 VanDerWaalsContact C-N 3.29Å; L615-E617 PolarHBondContact O-N 3.34Å; L615-I635 HydrophobicContact CD2-CD1 3.44Å; L615-I635 VanDerWaalsContact CD2-CD1 3.44Å; L615-H643 HydrophobicContact CD2-CB 4.45Å; L615-H643 PolarHBondContact O-CD2 2.82Å
616	A	68	Low	82.4	Confident	44 Å²	44	54.1 Å²	54.1	36%	0.364	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.1	-178.1	0	0	0	0	0	111.9	T614 K633 S645	T614-A616 PolarHBondContact O-N 2.94Å; T614-A616 VanDerWaalsContact O-N 3.15Å; A616-K633 PolarHBondContact O-NZ 3.29Å; A616-S645 PolarHBondContact O-OG 3.32Å
617	E	71.7	Confident	82.7	Confident	131 Å²	131	57.6 Å²	57.6	61%	0.612	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-32.7	-177.8	-69.1	167.5	156.2	0	0	111.8	T614 L615 K633	T614-E617 PolarHBondContact O-N 3.23Å; T614-E617 WeakPolarHBondContact OG1-CB 3.41Å; T614-E617 VanDerWaalsContact OG1-CD 3.26Å; T614-E617 WeakPolarHBondContact OG1-CG 3.1Å; T614-E617 PolarHBondContact OG1-N 3.41Å; T614-E617 PolarHBondContact OG1-OE2 2.89Å; L615-E617 VanDerWaalsContact C-N 3.29Å; L615-E617 PolarHBondContact O-N 3.34Å; E617-K633 PolarHBondContact O-NZ 3.28Å
618	A	69.4	Low	83	Confident	7 Å²	7	58 Å²	58	6%	0.058	31%	0.306	C	S	.	.	S	Bend	trans	-68.9	148.7	-176.6	0	0	0	0	0	114.5	T613 T614 K633 I635	T613-A618 WeakPolarHBondContact OG1-CB 3.47Å; T614-A618 VanDerWaalsContact O-CB 3.28Å; T614-A618 WeakPolarHBondContact O-CB 3.39Å; T614-A618 PolarHBondContact O-N 3.44Å; A618-K633 WeakPolarHBondContact O-CB 3.18Å; A618-K633 WeakPolarHBondContact O-CD 3.46Å; A618-I635 HydrophobicContact CB-CD1 4.19Å
619	G	69.6	Low	83.1	Confident	40 Å²	40	63.1 Å²	63.1	41%	0.412	33%	0.328	S	S	.	.	S	Bend	trans	87.9	171	172.5	0	0	0	0	0	114.8	L634	G619-L634 WeakPolarHBondContact CA-O 3.43Å
620	K	78.5	Confident	83.4	Confident	171 Å²	171	64.4 Å²	64.4	74%	0.743	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	142.9	178.6	-65	-178.7	-178.4	179.8	0	110.1	F622 K633 L634	K620-F622 PolarHBondContact O-N 2.67Å; K620-K633 CarbonylContact O-C 3.52Å; K620-K633 VanDerWaalsContact O-CA 3.24Å; K620-K633 WeakPolarHBondContact O-CA 3.38Å; K620-L634 PolarHBondContact O-N 3.22Å
621	P	87	Confident	84	Confident	91 Å²	91	63.9 Å²	63.9	59%	0.591	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-47.9	126.8	170	-26.9	34.8	0	0	0	110.6	Y631	P621-Y631 HydrophobicContact CB-CD1 4.43Å; P621-Y631 HydrophobicContact CB-CG 4.21Å
622	F	92.4	Very high	84.5	Confident	27 Å²	27	62 Å²	62	12%	0.118	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	-63	-166.4	-171.4	-110.7	0	0	0	113.5	K620 M632 L634 V642 I661 R662 P663 V677	K620-F622 PolarHBondContact O-N 2.67Å; F622-M632 PolarHBondContact N-O 2.98Å; F622-L634 HydrophobicContact CB-CB 3.6Å; F622-L634 HydrophobicContact CD1-CB 3.93Å; F622-L634 HydrophobicContact CD1-CD1 4.37Å; F622-L634 HydrophobicContact CD2-CB 3.77Å; F622-L634 HydrophobicContact CD2-CD2 3.8Å; F622-L634 HydrophobicContact CD2-CG 4.36Å; F622-L634 HydrophobicContact CE1-CD1 4.31Å; F622-L634 HydrophobicContact CE1-CD2 4.36Å; F622-L634 HydrophobicContact CE2-CB 4.39Å; F622-L634 HydrophobicContact CE2-CD2 3.6Å; F622-L634 HydrophobicContact CG-CB 3.51Å; F622-L634 HydrophobicContact CG-CD2 4.27Å; F622-L634 HydrophobicContact CG-CG 4.36Å; F622-L634 HydrophobicContact CZ-CD2 3.92Å; F622-V642 HydrophobicContact CD1-CG1 3.88Å; F622-I661 HydrophobicContact CE1-CG2 3.92Å; F622-I661 HydrophobicContact CZ-CB 4.42Å; F622-I661 HydrophobicContact CZ-CG2 3.66Å; F622-R662 VanDerWaalsContact CZ-C 3.48Å; F622-P663 HydrophobicContact CD2-CG 3.86Å; F622-P663 HydrophobicContact CE1-CG 4.48Å; F622-P663 VanDerWaalsContact CE2-CD 3.42Å; F622-P663 HydrophobicContact CE2-CG 3.75Å; F622-P663 HydrophobicContact CG-CG 4.28Å; F622-P663 HydrophobicContact CZ-CG 4.07Å; F622-P663 WeakPolarHBondContact O-CG 3.13Å; F622-V677 HydrophobicContact CD1-CG2 4.45Å; F622-V677 HydrophobicContact CE1-CG1 3.84Å; F622-V677 HydrophobicContact CE1-CG2 3.89Å; F622-V677 HydrophobicContact CZ-CG1 4.28Å
623	T	94.1	Very high	84.8	Confident	7 Å²	7	63.1 Å²	63.1	4%	0.043	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	164.7	-179.9	-169.4	0	0	0	0	110.7	Y631 M632 V642 G675 V677 P692	T623-Y631 CarbonylContact O-C 3.56Å; T623-Y631 WeakPolarHBondContact O-CA 3.4Å; T623-M632 HydrophobicContact CG2-CE 3.55Å; T623-M632 PolarHBondContact O-N 2.88Å; T623-V642 HydrophobicContact CG2-CG1 4.29Å; T623-G675 WeakPolarHBondContact OG1-CA 3.43Å; T623-G675 PolarHBondContact OG1-O 3.22Å; T623-V677 HydrophobicContact CG2-CG2 3.98Å; T623-P692 HydrophobicContact CG2-CG 4.28Å
624	R	94.7	Very high	85.3	Confident	107 Å²	107	61.8 Å²	61.8	40%	0.404	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	136.7	-176	-68	-178.7	178.3	-108	8	112.3	K629 Y631 G675	R624-K629 PolarHBondContact NH1-O 3.46Å; R624-Y631 HydrophobicContact CG-CD1 4.43Å; R624-Y631 HydrophobicContact CG-CE1 4.29Å; R624-G675 PolarHBondContact O-N 3.41Å
625	C	94.5	Very high	85.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.291	C	S	.	.			trans	-70.7	130.6	169.6	-178.6	0	0	0	0	109.8	R627 K629 R630 M632 C644	C625-R627 VanDerWaalsContact C-N 3.27Å; C625-R627 PolarHBondContact O-N 3.15Å; C625-R627 PolarHBondContact SG-N 3.31Å; C625-K629 WeakPolarHBondContact O-CA 3.42Å; C625-K629 PolarHBondContact O-N 2.83Å; C625-R630 WeakPolarHBondContact CB-O 3.29Å; C625-R630 PolarHBondContact N-O 3.24Å; C625-M632 HydrophobicContact CB-CG 3.63Å; C625-M632 HydrophobicContact CB-SD 3.87Å; C625-C644 HydrophobicContact CB-CB 4.4Å
626	G	93.5	Very high	85.9	Confident	6 Å²	6	62.7 Å²	62.7	6%	0.062	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-24.5	178.2	0	0	0	0	0	114.1	K629 D672 G673 F674	G626-K629 VanDerWaalsContact O-CE 3.28Å; G626-K629 WeakPolarHBondContact O-CE 3.39Å; G626-K629 PolarHBondContact O-NZ 3.41Å; G626-D672 CarbonylContact C-O 3.59Å; G626-D672 VanDerWaalsContact CA-O 3.27Å; G626-D672 WeakPolarHBondContact CA-O 3.44Å; G626-G673 VanDerWaalsContact CA-C 3.44Å; G626-G673 WeakPolarHBondContact CA-O 3.33Å; G626-F674 VanDerWaalsContact N-CD2 3.32Å; G626-F674 VanDerWaalsContact N-CG 3.34Å
627	R	92.8	Very high	85.9	Confident	132 Å²	132	62.1 Å²	62.1	50%	0.498	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-59.4	-179.5	-59.9	-177	-177.2	-178.7	2.9	112.5	C625 E649 F674	C625-R627 VanDerWaalsContact C-N 3.27Å; C625-R627 PolarHBondContact O-N 3.15Å; C625-R627 PolarHBondContact SG-N 3.31Å; R627-E649 IonicContact NH1-OE1 3.56Å; R627-F674 HydrophobicContact CG-CE2 4.33Å; R627-F674 HydrophobicContact CG-CZ 4.41Å
628	C	93.4	Very high	85.7	Confident	42 Å²	42	56.9 Å²	56.9	28%	0.284	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-3.5	-175.6	72	0	0	0	0	114.5	R630 C644	C628-R630 PolarHBondContact O-N 2.89Å; C628-C644 PolarHBondContact SG-SG 2.87Å
629	K	92.5	Very high	85.9	Confident	108 Å²	108	63.7 Å²	63.7	47%	0.47	31%	0.31	S	S	.	.			trans	63.4	1.2	-179.6	-49.7	-54.5	-172.4	-170.1	0	116.3	R624 C625 G626	R624-K629 PolarHBondContact NH1-O 3.46Å; C625-K629 WeakPolarHBondContact O-CA 3.42Å; C625-K629 PolarHBondContact O-N 2.83Å; G626-K629 VanDerWaalsContact O-CE 3.28Å; G626-K629 WeakPolarHBondContact O-CE 3.39Å; G626-K629 PolarHBondContact O-NZ 3.41Å
630	R	90.9	Very high	86.6	Confident	133 Å²	133	62.5 Å²	62.5	50%	0.502	30%	0.295	S	S	.	.	S	Bend	trans	-82.2	161.7	175	-61.6	-178.7	179.9	169.5	0.3	111.5	C625 C628 M632 F646	C625-R630 WeakPolarHBondContact CB-O 3.29Å; C625-R630 PolarHBondContact N-O 3.24Å; C628-R630 PolarHBondContact O-N 2.89Å; R630-M632 PolarHBondContact O-N 2.6Å; R630-F646 HydrophobicContact CB-CD2 3.98Å; R630-F646 HydrophobicContact CB-CE2 4.25Å; R630-F646 HydrophobicContact CG-CD2 4.22Å; R630-F646 HydrophobicContact CG-CE2 4.37Å; R630-F646 VanDerWaalsContact NH1-CZ 3.33Å
631	Y	92.1	Very high	87	Confident	118 Å²	118	55 Å²	55	46%	0.463	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	130.6	175.8	-77.5	-83.1	0	0	0	111.3	P621 T623 R624	P621-Y631 HydrophobicContact CB-CD1 4.43Å; P621-Y631 HydrophobicContact CB-CG 4.21Å; T623-Y631 CarbonylContact O-C 3.56Å; T623-Y631 WeakPolarHBondContact O-CA 3.4Å; R624-Y631 HydrophobicContact CG-CD1 4.43Å; R624-Y631 HydrophobicContact CG-CE1 4.29Å
632	M	92.9	Very high	87.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	148.7	162.3	-55.9	-170.5	-66.7	0	0	109.1	F622 T623 C625 R630 V642 H643 C644 Y651 F674 P692	F622-M632 PolarHBondContact N-O 2.98Å; T623-M632 HydrophobicContact CG2-CE 3.55Å; T623-M632 PolarHBondContact O-N 2.88Å; C625-M632 HydrophobicContact CB-CG 3.63Å; C625-M632 HydrophobicContact CB-SD 3.87Å; R630-M632 PolarHBondContact O-N 2.6Å; M632-V642 HydrophobicContact CB-CB 4.05Å; M632-V642 HydrophobicContact CE-CB 4.19Å; M632-V642 HydrophobicContact CE-CG2 3.58Å; M632-V642 HydrophobicContact SD-CG2 4.17Å; M632-H643 CarbonylContact C-O 3.53Å; M632-H643 VanDerWaalsContact CA-O 3.24Å; M632-H643 WeakPolarHBondContact CA-O 3.15Å; M632-H643 WeakPolarHBondContact CB-O 3.46Å; M632-C644 HydrophobicContact CG-CB 3.79Å; M632-C644 HydrophobicContact SD-CB 4.05Å; M632-Y651 HydrophobicContact SD-CD2 3.81Å; M632-Y651 HydrophobicContact SD-CE2 3.99Å; M632-F674 HydrophobicContact CE-CD1 3.62Å; M632-F674 HydrophobicContact CE-CE1 3.8Å; M632-F674 HydrophobicContact SD-CD1 4.22Å; M632-F674 HydrophobicContact SD-CE1 3.77Å; M632-P692 HydrophobicContact CE-CB 4.29Å; M632-P692 HydrophobicContact CE-CG 4.12Å
633	K	89.4	Confident	87.1	Confident	48 Å²	48	50 Å²	50	21%	0.209	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.4	179.3	-63.2	-177.4	178.9	179.1	0	110.6	A616 E617 A618 K620 V642 H643	A616-K633 PolarHBondContact O-NZ 3.29Å; E617-K633 PolarHBondContact O-NZ 3.28Å; A618-K633 WeakPolarHBondContact O-CB 3.18Å; A618-K633 WeakPolarHBondContact O-CD 3.46Å; K620-K633 CarbonylContact O-C 3.52Å; K620-K633 VanDerWaalsContact O-CA 3.24Å; K620-K633 WeakPolarHBondContact O-CA 3.38Å; K633-V642 CarbonylContact O-C 3.59Å; K633-V642 VanDerWaalsContact O-CA 3.24Å; K633-V642 WeakPolarHBondContact O-CA 3.22Å; K633-H643 PolarHBondContact N-O 3Å; K633-H643 PolarHBondContact O-N 3.11Å
634	L	89	Confident	86.8	Confident	30 Å²	30	49.7 Å²	49.7	16%	0.157	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	130.9	171.8	176.4	69.6	0	0	0	109.9	G619 K620 F622 V642 L653	G619-L634 WeakPolarHBondContact CA-O 3.43Å; K620-L634 PolarHBondContact O-N 3.22Å; F622-L634 HydrophobicContact CB-CB 3.6Å; F622-L634 HydrophobicContact CD1-CB 3.93Å; F622-L634 HydrophobicContact CD1-CD1 4.37Å; F622-L634 HydrophobicContact CD2-CB 3.77Å; F622-L634 HydrophobicContact CD2-CD2 3.8Å; F622-L634 HydrophobicContact CD2-CG 4.36Å; F622-L634 HydrophobicContact CE1-CD1 4.31Å; F622-L634 HydrophobicContact CE1-CD2 4.36Å; F622-L634 HydrophobicContact CE2-CB 4.39Å; F622-L634 HydrophobicContact CE2-CD2 3.6Å; F622-L634 HydrophobicContact CG-CB 3.51Å; F622-L634 HydrophobicContact CG-CD2 4.27Å; F622-L634 HydrophobicContact CG-CG 4.36Å; F622-L634 HydrophobicContact CZ-CD2 3.92Å; L634-V642 HydrophobicContact CB-CG1 4.44Å; L634-V642 HydrophobicContact CD1-CG1 4.14Å; L634-L653 HydrophobicContact CD1-CD1 3.97Å
635	I	82.4	Confident	86.3	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.6	178	-57	-179.9	0	0	0	107.9	G202 L615 A618 R641 H643	G202-I635 WeakPolarHBondContact O-CG2 3.4Å; L615-I635 HydrophobicContact CD2-CD1 3.44Å; L615-I635 VanDerWaalsContact CD2-CD1 3.44Å; A618-I635 HydrophobicContact CB-CD1 4.19Å; I635-R641 HydrophobicContact CB-CG 3.96Å; I635-R641 HydrophobicContact CG2-CG 4.42Å; I635-R641 VanDerWaalsContact CG2-CZ 3.49Å; I635-R641 PolarHBondContact N-O 2.91Å; I635-R641 PolarHBondContact O-N 3.47Å; I635-H643 HydrophobicContact CD1-CB 3.85Å
636	S	75	Confident	85.9	Confident	70 Å²	70	52.3 Å²	52.3	49%	0.49	25%	0.248	S	C	.	.			trans	-114.3	-0.3	-172.4	-66	0	0	0	0	114.1	G638 N640	S636-G638 PolarHBondContact O-N 3.07Å; S636-N640 PolarHBondContact OG-OD1 2.81Å
637	A	68.1	Low	85.6	Confident	31 Å²	31	53.9 Å²	53.9	26%	0.256	26%	0.257	S	S	.	.	S	Bend	trans	-70	118.7	171.9	0	0	0	0	0	109.5	G202 R639 R641	G202-A637 VanDerWaalsContact O-CB 3.29Å; G202-A637 WeakPolarHBondContact O-CB 3.45Å; A637-R639 PolarHBondContact O-N 3.28Å; A637-R641 PolarHBondContact O-NH1 2.96Å
638	G	67.2	Low	85.1	Confident	22 Å²	22	57.8 Å²	57.8	23%	0.227	27%	0.272	C	S	.	.	S	Bend	trans	75.3	-115.4	-173.1	0	0	0	0	0	112.5	S636 W655	S636-G638 PolarHBondContact O-N 3.07Å; G638-W655 VanDerWaalsContact O-CD1 3.32Å; G638-W655 PolarHBondContact O-NE1 2.79Å
639	R	73.8	Confident	84.7	Confident	149 Å²	149	59.5 Å²	59.5	56%	0.562	28%	0.276	S	S	*	.	S	Bend	trans	-84.5	137.6	175.3	-68.8	-172	-179.9	-140.2	2.6	111.1	A637 R641	A637-R639 PolarHBondContact O-N 3.28Å; R639-R641 PolarHBondContact O-N 3.11Å; R639-R641 PolarHBondContact O-NH1 2.73Å
640	N	84.3	Confident	84.4	Confident	16 Å²	16	55.8 Å²	55.8	9%	0.086	26%	0.263	C	S	.	.			trans	-64	127.2	174.9	-67.2	-51.3	0	0	0	110	S636 L653 P654 I661	S636-N640 PolarHBondContact OG-OD1 2.81Å; N640-L653 HydrophobicContact CB-CB 4.07Å; N640-L653 PolarHBondContact O-N 3.33Å; N640-P654 PolarHBondContact ND2-O 3.17Å; N640-I661 HydrophobicContact CB-CD1 3.37Å; N640-I661 VanDerWaalsContact ND2-CD1 3.25Å; N640-I661 WeakPolarHBondContact ND2-CD1 3.4Å
641	R	87.9	Confident	84.4	Confident	13 Å²	13	49.7 Å²	49.7	5%	0.049	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	156.8	178.9	63.5	-163.1	-179.2	-83	6.1	110.9	Y201 G202 I635 A637 R639 T650 Y651 L652	Y201-R641 PolarHBondContact O-NH2 3.35Å; G202-R641 PolarHBondContact O-NH2 2.79Å; I635-R641 HydrophobicContact CB-CG 3.96Å; I635-R641 HydrophobicContact CG2-CG 4.42Å; I635-R641 VanDerWaalsContact CG2-CZ 3.49Å; I635-R641 PolarHBondContact N-O 2.91Å; I635-R641 PolarHBondContact O-N 3.47Å; A637-R641 PolarHBondContact O-NH1 2.96Å; R639-R641 PolarHBondContact O-N 3.11Å; R639-R641 PolarHBondContact O-NH1 2.73Å; R641-T650 HydrophobicContact CB-CG2 3.96Å; R641-T650 HydrophobicContact CG-CG2 3.98Å; R641-Y651 CarbonylContact C-O 3.52Å; R641-Y651 VanDerWaalsContact CA-O 3.28Å; R641-Y651 WeakPolarHBondContact CA-O 3.34Å; R641-Y651 WeakPolarHBondContact CB-O 3.45Å; R641-L652 HydrophobicContact CB-CD2 4.23Å
642	V	90.6	Very high	84.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.8	171.6	-71.2	0	0	0	0	109.8	F622 T623 M632 K633 L634 Y651 L653 P692	F622-V642 HydrophobicContact CD1-CG1 3.88Å; T623-V642 HydrophobicContact CG2-CG1 4.29Å; M632-V642 HydrophobicContact CB-CB 4.05Å; M632-V642 HydrophobicContact CE-CB 4.19Å; M632-V642 HydrophobicContact CE-CG2 3.58Å; M632-V642 HydrophobicContact SD-CG2 4.17Å; K633-V642 CarbonylContact O-C 3.59Å; K633-V642 VanDerWaalsContact O-CA 3.24Å; K633-V642 WeakPolarHBondContact O-CA 3.22Å; L634-V642 HydrophobicContact CB-CG1 4.44Å; L634-V642 HydrophobicContact CD1-CG1 4.14Å; V642-Y651 PolarHBondContact N-O 3.32Å; V642-Y651 PolarHBondContact O-N 3.16Å; V642-L653 HydrophobicContact CG1-CD1 3.8Å; V642-P692 HydrophobicContact CG2-CB 3.77Å; V642-P692 HydrophobicContact CG2-CG 4.04Å
643	H	89.3	Confident	84	Confident	13 Å²	13	47 Å²	47	6%	0.06	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.5	-179.7	-177.8	73.2	0	0	0	110.8	L615 M632 K633 I635 E649 T650	L615-H643 HydrophobicContact CD2-CB 4.45Å; L615-H643 PolarHBondContact O-CD2 2.82Å; M632-H643 CarbonylContact C-O 3.53Å; M632-H643 VanDerWaalsContact CA-O 3.24Å; M632-H643 WeakPolarHBondContact CA-O 3.15Å; M632-H643 WeakPolarHBondContact CB-O 3.46Å; K633-H643 PolarHBondContact N-O 3Å; K633-H643 PolarHBondContact O-N 3.11Å; I635-H643 HydrophobicContact CD1-CB 3.85Å; H643-E649 PolarHBondContact ND1-O 3.35Å; H643-T650 PolarHBondContact ND1-OG1 3.35Å
644	C	89.7	Confident	83.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	100.5	172.8	-174.9	0	0	0	0	109.9	C625 C628 M632 F646 C647 R648 E649	C625-C644 HydrophobicContact CB-CB 4.4Å; C628-C644 PolarHBondContact SG-SG 2.87Å; M632-C644 HydrophobicContact CG-CB 3.79Å; M632-C644 HydrophobicContact SD-CB 4.05Å; C644-F646 PolarHBondContact O-N 3.01Å; C644-C647 HydrophobicContact CB-CB 4.09Å; C644-C647 PolarHBondContact O-N 3.1Å; C644-C647 PolarHBondContact SG-N 2.81Å; C644-R648 WeakPolarHBondContact O-CA 3.49Å; C644-R648 PolarHBondContact O-N 2.87Å; C644-E649 PolarHBondContact N-O 2.99Å
645	S	83.7	Confident	83.6	Confident	34 Å²	34	51.5 Å²	51.5	24%	0.238	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.5	-177.9	-43.6	0	0	0	0	113.9	A616	A616-S645 PolarHBondContact O-OG 3.32Å
646	F	85.9	Confident	83.3	Confident	128 Å²	128	52.2 Å²	52.2	56%	0.561	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-38.2	179.8	-66	-72.7	0	0	0	113.8	R630 C644 R648	R630-F646 HydrophobicContact CB-CD2 3.98Å; R630-F646 HydrophobicContact CB-CE2 4.25Å; R630-F646 HydrophobicContact CG-CD2 4.22Å; R630-F646 HydrophobicContact CG-CE2 4.37Å; R630-F646 VanDerWaalsContact NH1-CZ 3.33Å; C644-F646 PolarHBondContact O-N 3.01Å; F646-R648 VanDerWaalsContact C-N 3.34Å
647	C	87.1	Confident	83	Confident	40 Å²	40	55.2 Å²	55.2	27%	0.27	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-15.7	174.5	-63.4	0	0	0	0	112	C644 E649	C644-C647 HydrophobicContact CB-CB 4.09Å; C644-C647 PolarHBondContact O-N 3.1Å; C644-C647 PolarHBondContact SG-N 2.81Å; C647-E649 HydrophobicContact CB-CB 4.26Å; C647-E649 HydrophobicContact CB-CG 4.03Å; C647-E649 PolarHBondContact O-N 2.83Å
648	R	82.9	Confident	83.6	Confident	214 Å²	214	56.7 Å²	56.7	81%	0.808	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	36.2	-171.5	-56.7	-178.9	179.6	177.2	-1.6	112.8	C644 F646	C644-R648 WeakPolarHBondContact O-CA 3.49Å; C644-R648 PolarHBondContact O-N 2.87Å; F646-R648 VanDerWaalsContact C-N 3.34Å
649	E	84.6	Confident	84.5	Confident	77 Å²	77	57 Å²	57	36%	0.36	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	141.5	-177.9	-68.3	-70.9	176.6	0	0	110.3	R627 H643 C644 C647 Y651	R627-E649 IonicContact NH1-OE1 3.56Å; H643-E649 PolarHBondContact ND1-O 3.35Å; C644-E649 PolarHBondContact N-O 2.99Å; C647-E649 HydrophobicContact CB-CB 4.26Å; C647-E649 HydrophobicContact CB-CG 4.03Å; C647-E649 PolarHBondContact O-N 2.83Å; E649-Y651 HydrophobicContact CB-CE2 3.84Å
650	T	86.5	Confident	85.1	Confident	31 Å²	31	54.2 Å²	54.2	19%	0.19	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.2	178.8	-57.6	0	0	0	0	109.9	R641 H643	R641-T650 HydrophobicContact CB-CG2 3.96Å; R641-T650 HydrophobicContact CG-CG2 3.98Å; H643-T650 PolarHBondContact ND1-OG1 3.35Å
651	Y	90	Very high	85.4	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.4	179.1	-56.2	-86	0	0	0	110	M632 R641 V642 E649 F674 P692 N693 A696	M632-Y651 HydrophobicContact SD-CD2 3.81Å; M632-Y651 HydrophobicContact SD-CE2 3.99Å; R641-Y651 CarbonylContact C-O 3.52Å; R641-Y651 VanDerWaalsContact CA-O 3.28Å; R641-Y651 WeakPolarHBondContact CA-O 3.34Å; R641-Y651 WeakPolarHBondContact CB-O 3.45Å; V642-Y651 PolarHBondContact N-O 3.32Å; V642-Y651 PolarHBondContact O-N 3.16Å; E649-Y651 HydrophobicContact CB-CE2 3.84Å; Y651-F674 AromaticContact CD2-CE1 3.98Å; Y651-F674 HydrophobicContact CD2-CE1 3.98Å; Y651-F674 HydrophobicContact CE1-CE1 4.31Å; Y651-F674 HydrophobicContact CE1-CZ 4.12Å; Y651-F674 AromaticContact CE2-CE1 3.59Å; Y651-F674 HydrophobicContact CE2-CE1 3.59Å; Y651-F674 AromaticContact CE2-CZ 3.82Å; Y651-F674 HydrophobicContact CE2-CZ 3.82Å; Y651-F674 HydrophobicContact CG-CE1 4.49Å; Y651-F674 AromaticContact CZ-CE1 3.78Å; Y651-F674 AromaticContact CZ-CZ 3.56Å; Y651-P692 HydrophobicContact CG-CB 4.32Å; Y651-N693 HydrophobicContact CD1-CB 4.23Å; Y651-N693 HydrophobicContact CE1-CB 4.08Å; Y651-N693 WeakPolarHBondContact CE1-OD1 3.28Å; Y651-A696 HydrophobicContact CD1-CB 4.39Å
652	L	87.6	Confident	85.6	Confident	55 Å²	55	59.6 Å²	59.6	29%	0.288	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	149.1	176.1	-63.9	178.7	0	0	0	111.3	R641 Y695	R641-L652 HydrophobicContact CB-CD2 4.23Å; L652-Y695 VanDerWaalsContact O-CD1 3.23Å; L652-Y695 WeakPolarHBondContact O-CD1 3.47Å
653	L	89.4	Confident	85.7	Confident	6 Å²	6	62.2 Å²	62.2	3%	0.031	32%	0.318	C	S	.	.			trans	-121.6	162.8	171.5	-66.1	179.3	0	0	0	110	L634 N640 V642 I661 V677 V690 P692	L634-L653 HydrophobicContact CD1-CD1 3.97Å; N640-L653 HydrophobicContact CB-CB 4.07Å; N640-L653 PolarHBondContact O-N 3.33Å; V642-L653 HydrophobicContact CG1-CD1 3.8Å; L653-I661 HydrophobicContact CB-CD1 4.19Å; L653-I661 HydrophobicContact CD1-CD1 4.28Å; L653-I661 HydrophobicContact CD1-CG2 4.1Å; L653-V677 HydrophobicContact CD1-CG1 4.31Å; L653-V677 HydrophobicContact CD2-CG2 4.45Å; L653-V690 HydrophobicContact CD2-CG1 4.43Å; L653-P692 HydrophobicContact CD2-CB 4.19Å; L653-P692 HydrophobicContact CD2-CG 4.14Å
654	P	88.1	Confident	85.9	Confident	19 Å²	19	62.7 Å²	62.7	12%	0.123	32%	0.319	C	S	.	.			trans	-52.3	145.4	171	-24.5	31	0	0	0	112.2	N640 L659 C679 V690 Y695	N640-P654 PolarHBondContact ND2-O 3.17Å; P654-L659 VanDerWaalsContact C-CD2 3.43Å; P654-L659 HydrophobicContact CB-CD2 3.87Å; P654-L659 WeakPolarHBondContact O-CD2 3.5Å; P654-C679 HydrophobicContact CB-CB 4.44Å; P654-C679 HydrophobicContact CG-CB 4.38Å; P654-V690 HydrophobicContact CG-CG2 3.83Å; P654-Y695 WeakPolarHBondContact CA-OH 3.42Å; P654-Y695 HydrophobicContact CG-CD2 4.33Å; P654-Y695 HydrophobicContact CG-CE2 3.65Å
655	W	80.8	Confident	85.8	Confident	154 Å²	154	65.6 Å²	65.6	58%	0.583	35%	0.349	S	S	*	.			trans	-132.1	145.4	-178.5	175.9	86.8	0	0	0	111.1	G638	G638-W655 VanDerWaalsContact O-CD1 3.32Å; G638-W655 PolarHBondContact O-NE1 2.79Å
656	G	76.2	Confident	86	Confident	20 Å²	20	72.1 Å²	72.1	21%	0.206	38%	0.376	C	S	.	.			trans	-178.5	152.9	173.9	0	0	0	0	0	111.2	S658 L659	G656-S658 PolarHBondContact O-N 3.07Å; G656-S658 VanDerWaalsContact O-N 3.07Å; G656-L659 WeakPolarHBondContact O-CB 3.3Å; G656-L659 PolarHBondContact O-N 2.87Å
657	P	70.2	Confident	86.3	Confident	134 Å²	134	69 Å²	69	87%	0.87	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.1	-169.8	22.5	-33.2	0	0	0	114.7
658	S	79.4	Confident	86.7	Confident	61 Å²	61	71.1 Å²	71.1	43%	0.427	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	20.3	176.2	58.1	0	0	0	0	112.6	G656 G682	G656-S658 PolarHBondContact O-N 3.07Å; G656-S658 VanDerWaalsContact O-N 3.07Å; S658-G682 PolarHBondContact O-N 3.38Å
659	L	85.9	Confident	87.3	Confident	29 Å²	29	61.2 Å²	61.2	15%	0.152	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.5	-178.6	-169	81.2	0	0	0	110.2	P654 G656 I661 C679 E681	P654-L659 VanDerWaalsContact C-CD2 3.43Å; P654-L659 HydrophobicContact CB-CD2 3.87Å; P654-L659 WeakPolarHBondContact O-CD2 3.5Å; G656-L659 WeakPolarHBondContact O-CB 3.3Å; G656-L659 PolarHBondContact O-N 2.87Å; L659-I661 HydrophobicContact CD2-CD1 4.12Å; L659-I661 HydrophobicContact CD2-CG1 4.01Å; L659-I661 HydrophobicContact CG-CG1 4.38Å; L659-C679 HydrophobicContact CD1-CB 4.07Å; L659-C679 HydrophobicContact CD2-CB 4.18Å; L659-C679 HydrophobicContact CG-CB 4.34Å; L659-E681 HydrophobicContact CD1-CG 3.74Å
660	T	87.7	Confident	87.8	Confident	91 Å²	91	60.5 Å²	60.5	56%	0.558	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.9	170.2	-48.8	0	0	0	0	109.6	C679 V680	T660-C679 CarbonylContact O-C 3.35Å; T660-C679 WeakPolarHBondContact O-CA 3.42Å; T660-V680 PolarHBondContact N-O 2.75Å; T660-V680 PolarHBondContact O-N 3.43Å
661	I	90.2	Very high	88.1	Confident	23 Å²	23	61.8 Å²	61.8	12%	0.118	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.8	179	-52.9	-172.5	0	0	0	109	F622 N640 L653 L659 V677 R678	F622-I661 HydrophobicContact CE1-CG2 3.92Å; F622-I661 HydrophobicContact CZ-CB 4.42Å; F622-I661 HydrophobicContact CZ-CG2 3.66Å; N640-I661 HydrophobicContact CB-CD1 3.37Å; N640-I661 VanDerWaalsContact ND2-CD1 3.25Å; N640-I661 WeakPolarHBondContact ND2-CD1 3.4Å; L653-I661 HydrophobicContact CB-CD1 4.19Å; L653-I661 HydrophobicContact CD1-CD1 4.28Å; L653-I661 HydrophobicContact CD1-CG2 4.1Å; L659-I661 HydrophobicContact CD2-CD1 4.12Å; L659-I661 HydrophobicContact CD2-CG1 4.01Å; L659-I661 HydrophobicContact CG-CG1 4.38Å; I661-V677 HydrophobicContact CG2-CG1 3.15Å; I661-R678 WeakPolarHBondContact CA-O 3.38Å
662	R	92.1	Very high	88.3	Confident	118 Å²	118	63.1 Å²	63.1	45%	0.445	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.8	175	65.1	-176.7	-177.4	-169.9	3.2	111.5	F622 V677 R678 D751	F622-R662 VanDerWaalsContact CZ-C 3.48Å; R662-V677 WeakPolarHBondContact O-CG1 3.36Å; R662-R678 HydrophobicContact CG-CB 3.87Å; R662-R678 PolarHBondContact N-O 3.02Å; R662-R678 PolarHBondContact O-N 2.98Å; R662-D751 IonicContact CZ-OD2 2.68Å; R662-D751 IonicContact NE-OD2 3.37Å; R662-D751 IonicContact NH2-OD1 3.58Å; R662-D751 IonicContact NH2-OD2 3.32Å; R662-D751 PolarHBondContact NH2-OD2 3.4Å
663	P	93	Very high	88.7	Confident	56 Å²	56	61.1 Å²	61.1	36%	0.364	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	140.7	169.4	-18	33.5	0	0	0	109.4	F622 G665	F622-P663 HydrophobicContact CD2-CG 3.86Å; F622-P663 HydrophobicContact CE1-CG 4.48Å; F622-P663 VanDerWaalsContact CE2-CD 3.42Å; F622-P663 HydrophobicContact CE2-CG 3.75Å; F622-P663 HydrophobicContact CG-CG 4.28Å; F622-P663 HydrophobicContact CZ-CG 4.07Å; F622-P663 WeakPolarHBondContact O-CG 3.13Å; P663-G665 VanDerWaalsContact C-N 3.32Å; P663-G665 PolarHBondContact O-N 3.43Å
664	F	93.1	Very high	89	Confident	22 Å²	22	61 Å²	61	10%	0.096	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	64.4	-179.8	-168.6	-142.6	0	0	0	111.3	N667 L676 R678 T689 Y719 V750 D751	F664-N667 HydrophobicContact CD1-CB 4.44Å; F664-N667 WeakPolarHBondContact O-CB 3.19Å; F664-N667 PolarHBondContact O-N 3.46Å; F664-N667 PolarHBondContact O-ND2 3.44Å; F664-L676 HydrophobicContact CB-CB 4.2Å; F664-L676 WeakPolarHBondContact CB-O 3.33Å; F664-L676 HydrophobicContact CD1-CB 4.36Å; F664-L676 PolarHBondContact N-O 3.4Å; F664-R678 HydrophobicContact CB-CB 4.11Å; F664-R678 HydrophobicContact CD2-CB 4.15Å; F664-R678 HydrophobicContact CD2-CG 4.4Å; F664-R678 HydrophobicContact CG-CB 4.29Å; F664-T689 HydrophobicContact CD1-CG2 3.54Å; F664-T689 HydrophobicContact CE1-CG2 3.84Å; F664-T689 HydrophobicContact CG-CG2 4.48Å; F664-Y719 HydrophobicContact CE1-CD1 4.11Å; F664-Y719 AromaticContact CE1-CE1 3.5Å; F664-Y719 HydrophobicContact CE1-CE1 3.5Å; F664-Y719 VanDerWaalsContact CE1-CE1 3.5Å; F664-Y719 HydrophobicContact CE1-CE2 4.23Å; F664-Y719 AromaticContact CE1-CZ 3.55Å; F664-Y719 HydrophobicContact CZ-CE1 4.15Å; F664-V750 HydrophobicContact CE1-CG2 4.32Å; F664-V750 HydrophobicContact CZ-CG2 3.88Å; F664-D751 HydrophobicContact CE2-CB 3.92Å; F664-D751 HydrophobicContact CZ-CB 4.31Å
665	G	87	Confident	89.4	Confident	61 Å²	61	60.3 Å²	60.3	63%	0.629	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60.4	-145.3	-172.4	0	0	0	0	0	111.8	P663 N667	P663-G665 VanDerWaalsContact C-N 3.32Å; P663-G665 PolarHBondContact O-N 3.43Å; G665-N667 VanDerWaalsContact C-N 3.32Å
666	E	87.6	Confident	90.2	Very high	172 Å²	172	53 Å²	53	80%	0.804	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	14.1	174.9	-58.1	-163.6	147.6	0	0	112.9	L668	E666-L668 PolarHBondContact O-N 2.78Å
667	N	93.6	Very high	91.1	Very high	61 Å²	61	52.1 Å²	52.1	33%	0.326	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	128.3	-176	-63.3	-55.8	0	0	0	110.7	F664 G665 L676 Y719	F664-N667 HydrophobicContact CD1-CB 4.44Å; F664-N667 WeakPolarHBondContact O-CB 3.19Å; F664-N667 PolarHBondContact O-N 3.46Å; F664-N667 PolarHBondContact O-ND2 3.44Å; G665-N667 VanDerWaalsContact C-N 3.32Å; N667-L676 HydrophobicContact CB-CB 4.45Å; N667-L676 HydrophobicContact CB-CD1 4.06Å; N667-L676 WeakPolarHBondContact O-CB 3.38Å; N667-L676 WeakPolarHBondContact O-CG 3.38Å; N667-L676 PolarHBondContact O-N 3.37Å; N667-Y719 HydrophobicContact CB-CE2 4.34Å; N667-Y719 PolarHBondContact ND2-OH 3.36Å; N667-Y719 PolarHBondContact OD1-OH 3.06Å
668	L	95.5	Very high	92.2	Very high	85 Å²	85	46 Å²	46	45%	0.445	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	147.1	177.6	-55.8	-178.2	0	0	0	110.3	E666 F674	E666-L668 PolarHBondContact O-N 2.78Å; L668-F674 CarbonylContact C-O 3.57Å; L668-F674 WeakPolarHBondContact CA-O 3.48Å
669	C	95.8	Very high	92.8	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.041	24%	0.243	C	C	.	.			trans	-65.4	126	167.4	179.6	0	0	0	0	109.1	I671 D672 G673 F674 L676 C691	C669-I671 PolarHBondContact O-N 3.44Å; C669-D672 WeakPolarHBondContact CB-OD1 3.24Å; C669-D672 PolarHBondContact SG-OD1 3.13Å; C669-G673 WeakPolarHBondContact O-CA 3.18Å; C669-G673 PolarHBondContact O-N 3.23Å; C669-F674 PolarHBondContact N-O 2.82Å; C669-L676 HydrophobicContact CB-CD2 3.88Å; C669-C691 HydrophobicContact CB-CB 4.05Å
670	P	94.7	Very high	92.9	Very high	62 Å²	62	43.6 Å²	43.6	40%	0.403	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-10.2	-179.1	27.5	-32.9	0	0	0	113.6	C717	P670-C717 HydrophobicContact CG-CB 4Å
671	I	93.3	Very high	92.6	Very high	58 Å²	58	42.8 Å²	42.8	30%	0.297	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-47.8	-179.3	-54.7	169.9	0	0	0	110.6	C669 P699 F700 H714	C669-I671 PolarHBondContact O-N 3.44Å; I671-P699 HydrophobicContact CD1-CG 3.92Å; I671-P699 HydrophobicContact CG2-CB 4.33Å; I671-F700 HydrophobicContact CD1-CE2 3.93Å; I671-F700 HydrophobicContact CD1-CZ 3.82Å; I671-H714 HydrophobicContact CD1-CB 3.77Å; I671-H714 HydrophobicContact CG1-CB 4.12Å
672	D	93.4	Very high	91.6	Very high	33 Å²	33	43.6 Å²	43.6	18%	0.176	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-2.7	-169.7	59.2	22.4	0	0	0	113.8	G626 C669 F674 C691 N693 C694	G626-D672 CarbonylContact C-O 3.59Å; G626-D672 VanDerWaalsContact CA-O 3.27Å; G626-D672 WeakPolarHBondContact CA-O 3.44Å; C669-D672 WeakPolarHBondContact CB-OD1 3.24Å; C669-D672 PolarHBondContact SG-OD1 3.13Å; D672-F674 VanDerWaalsContact C-N 3.25Å; D672-F674 HydrophobicContact CB-CD2 3.97Å; D672-F674 HydrophobicContact CB-CE2 4.49Å; D672-F674 PolarHBondContact O-N 3.15Å; D672-F674 WeakPolarHBondContact OD1-CB 3.44Å; D672-F674 WeakPolarHBondContact OD1-CD2 3.42Å; D672-F674 PolarHBondContact OD1-N 3.13Å; D672-C691 PolarHBondContact OD1-SG 2.94Å; D672-C691 PolarHBondContact OD2-SG 3.48Å; D672-N693 WeakPolarHBondContact OD2-CB 3.32Å; D672-N693 PolarHBondContact OD2-ND2 3.09Å; D672-C694 PolarHBondContact OD2-SG 3.31Å; D672-C694 VanDerWaalsContact OD2-SG 3.38Å
673	G	94.9	Very high	90.2	Very high	13 Å²	13	46.9 Å²	46.9	13%	0.134	27%	0.27	C	S	.	.			trans	70.5	11.9	178.1	0	0	0	0	0	115.2	G626 C669	G626-G673 VanDerWaalsContact CA-C 3.44Å; G626-G673 WeakPolarHBondContact CA-O 3.33Å; C669-G673 WeakPolarHBondContact O-CA 3.18Å; C669-G673 PolarHBondContact O-N 3.23Å
674	F	97	Very high	88.7	Confident	3 Å²	3	49.5 Å²	49.5	1%	0.013	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-70.1	141	174.9	-85	-104.4	0	0	0	111.3	G626 R627 M632 Y651 L668 C669 D672 L676 P692 N693	G626-F674 VanDerWaalsContact N-CD2 3.32Å; G626-F674 VanDerWaalsContact N-CG 3.34Å; R627-F674 HydrophobicContact CG-CE2 4.33Å; R627-F674 HydrophobicContact CG-CZ 4.41Å; M632-F674 HydrophobicContact CE-CD1 3.62Å; M632-F674 HydrophobicContact CE-CE1 3.8Å; M632-F674 HydrophobicContact SD-CD1 4.22Å; M632-F674 HydrophobicContact SD-CE1 3.77Å; Y651-F674 AromaticContact CD2-CE1 3.98Å; Y651-F674 HydrophobicContact CD2-CE1 3.98Å; Y651-F674 HydrophobicContact CE1-CE1 4.31Å; Y651-F674 HydrophobicContact CE1-CZ 4.12Å; Y651-F674 AromaticContact CE2-CE1 3.59Å; Y651-F674 HydrophobicContact CE2-CE1 3.59Å; Y651-F674 AromaticContact CE2-CZ 3.82Å; Y651-F674 HydrophobicContact CE2-CZ 3.82Å; Y651-F674 HydrophobicContact CG-CE1 4.49Å; Y651-F674 AromaticContact CZ-CE1 3.78Å; Y651-F674 AromaticContact CZ-CZ 3.56Å; L668-F674 CarbonylContact C-O 3.57Å; L668-F674 WeakPolarHBondContact CA-O 3.48Å; C669-F674 PolarHBondContact N-O 2.82Å; D672-F674 VanDerWaalsContact C-N 3.25Å; D672-F674 HydrophobicContact CB-CD2 3.97Å; D672-F674 HydrophobicContact CB-CE2 4.49Å; D672-F674 PolarHBondContact O-N 3.15Å; D672-F674 WeakPolarHBondContact OD1-CB 3.44Å; D672-F674 WeakPolarHBondContact OD1-CD2 3.42Å; D672-F674 PolarHBondContact OD1-N 3.13Å; F674-L676 PolarHBondContact O-N 3.39Å; F674-P692 HydrophobicContact CD1-CB 4.33Å; F674-P692 HydrophobicContact CD1-CG 4.49Å; F674-N693 HydrophobicContact CD1-CB 4.15Å; F674-N693 HydrophobicContact CD2-CB 3.6Å; F674-N693 HydrophobicContact CE1-CB 4.11Å; F674-N693 HydrophobicContact CE2-CB 3.57Å; F674-N693 HydrophobicContact CG-CB 3.91Å; F674-N693 HydrophobicContact CZ-CB 3.84Å
675	G	96.8	Very high	87.5	Confident	4 Å²	4	54.2 Å²	54.2	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	128.7	173.4	0	0	0	0	0	111.3	T623 R624 P692	T623-G675 WeakPolarHBondContact OG1-CA 3.43Å; T623-G675 PolarHBondContact OG1-O 3.22Å; R624-G675 PolarHBondContact O-N 3.41Å; G675-P692 WeakPolarHBondContact O-CD 3.22Å
676	L	96.5	Very high	87.3	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	149.5	-175.6	-62.2	-179.6	0	0	0	111.9	F664 N667 C669 F674 T689 C691 Y719	F664-L676 HydrophobicContact CB-CB 4.2Å; F664-L676 WeakPolarHBondContact CB-O 3.33Å; F664-L676 HydrophobicContact CD1-CB 4.36Å; F664-L676 PolarHBondContact N-O 3.4Å; N667-L676 HydrophobicContact CB-CB 4.45Å; N667-L676 HydrophobicContact CB-CD1 4.06Å; N667-L676 WeakPolarHBondContact O-CB 3.38Å; N667-L676 WeakPolarHBondContact O-CG 3.38Å; N667-L676 PolarHBondContact O-N 3.37Å; C669-L676 HydrophobicContact CB-CD2 3.88Å; F674-L676 PolarHBondContact O-N 3.39Å; L676-T689 HydrophobicContact CB-CG2 4.23Å; L676-T689 HydrophobicContact CD1-CG2 4.07Å; L676-C691 HydrophobicContact CD2-CB 3.66Å; L676-Y719 HydrophobicContact CD1-CD2 3.37Å; L676-Y719 HydrophobicContact CD1-CE2 3.19Å
677	V	95.3	Very high	87.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.1	-178	179.2	0	0	0	0	109.4	F622 T623 L653 I661 R662 T689 V690 P692	F622-V677 HydrophobicContact CD1-CG2 4.45Å; F622-V677 HydrophobicContact CE1-CG1 3.84Å; F622-V677 HydrophobicContact CE1-CG2 3.89Å; F622-V677 HydrophobicContact CZ-CG1 4.28Å; T623-V677 HydrophobicContact CG2-CG2 3.98Å; L653-V677 HydrophobicContact CD1-CG1 4.31Å; L653-V677 HydrophobicContact CD2-CG2 4.45Å; I661-V677 HydrophobicContact CG2-CG1 3.15Å; R662-V677 WeakPolarHBondContact O-CG1 3.36Å; V677-T689 CarbonylContact O-C 3.46Å; V677-T689 WeakPolarHBondContact O-CA 3.48Å; V677-V690 PolarHBondContact N-O 2.74Å; V677-V690 PolarHBondContact O-N 3.09Å; V677-P692 HydrophobicContact CG2-CG 4.14Å
678	R	93.3	Very high	87	Confident	6 Å²	6	43.9 Å²	43.9	2%	0.023	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.5	175.8	-166.4	73.4	177.9	134.2	13.2	110	I661 R662 F664 V680 G687 S688 T689 D749 D751	I661-R678 WeakPolarHBondContact CA-O 3.38Å; R662-R678 HydrophobicContact CG-CB 3.87Å; R662-R678 PolarHBondContact N-O 3.02Å; R662-R678 PolarHBondContact O-N 2.98Å; F664-R678 HydrophobicContact CB-CB 4.11Å; F664-R678 HydrophobicContact CD2-CB 4.15Å; F664-R678 HydrophobicContact CD2-CG 4.4Å; F664-R678 HydrophobicContact CG-CB 4.29Å; R678-V680 HydrophobicContact CG-CG2 4.18Å; R678-G687 PolarHBondContact NH1-O 3.23Å; R678-G687 PolarHBondContact NH2-O 3.41Å; R678-S688 VanDerWaalsContact NH1-CA 3.27Å; R678-S688 PolarHBondContact NH1-O 3Å; R678-T689 PolarHBondContact NH1-OG1 3.38Å; R678-D749 IonicContact CZ-OD1 2.86Å; R678-D749 IonicContact NH2-OD1 2.9Å; R678-D749 PolarHBondContact NH2-OD1 2.9Å; R678-D749 IonicContact NH2-OD2 2.69Å; R678-D749 PolarHBondContact NH2-OD2 3.48Å; R678-D751 IonicContact NE-OD2 2.83Å
679	C	91.6	Very high	86.9	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.02	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.2	179.2	-60.1	0	0	0	0	109.4	P654 L659 T660 G687 S688	P654-C679 HydrophobicContact CB-CB 4.44Å; P654-C679 HydrophobicContact CG-CB 4.38Å; L659-C679 HydrophobicContact CD1-CB 4.07Å; L659-C679 HydrophobicContact CD2-CB 4.18Å; L659-C679 HydrophobicContact CG-CB 4.34Å; T660-C679 CarbonylContact O-C 3.35Å; T660-C679 WeakPolarHBondContact O-CA 3.42Å; C679-G687 CarbonylContact O-C 3.58Å; C679-G687 VanDerWaalsContact O-CA 3.23Å; C679-G687 WeakPolarHBondContact O-CA 3.3Å; C679-S688 PolarHBondContact N-O 3.33Å; C679-S688 PolarHBondContact O-N 2.92Å
680	V	88.2	Confident	86.9	Confident	36 Å²	36	40 Å²	40	22%	0.218	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.4	-175.9	-174.9	0	0	0	0	110.5	T660 R678 R686	T660-V680 PolarHBondContact N-O 2.75Å; T660-V680 PolarHBondContact O-N 3.43Å; R678-V680 HydrophobicContact CG-CG2 4.18Å; V680-R686 WeakPolarHBondContact CA-O 3.38Å
681	E	83	Confident	87	Confident	75 Å²	75	37.1 Å²	37.1	35%	0.35	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	121.9	175.9	-71.5	-179.9	179.9	0	0	111.3	L659 Q683 K684 K685 R686	L659-E681 HydrophobicContact CD1-CG 3.74Å; E681-Q683 PolarHBondContact O-N 2.87Å; E681-K684 PolarHBondContact O-N 3.14Å; E681-K685 WeakPolarHBondContact O-CA 3.41Å; E681-K685 PolarHBondContact O-N 3.36Å; E681-R686 PolarHBondContact N-O 2.88Å
682	G	68.9	Low	87.1	Confident	39 Å²	39	34.3 Å²	34.3	40%	0.402	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-52.6	-169.7	0	0	0	0	0	116.1	S658	S658-G682 PolarHBondContact O-N 3.38Å
683	Q	61.7	Low	87.1	Confident	188 Å²	188	33.8 Å²	33.8	88%	0.879	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-30.5	-174.4	-75.4	-170.7	-22.3	0	0	113.9	E681	E681-Q683 PolarHBondContact O-N 2.87Å
684	K	61.5	Low	87.1	Confident	110 Å²	110	33.7 Å²	33.7	48%	0.478	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-12	-178.1	-66.4	-175.9	178.7	-176.7	0	113.1	E681 R686	E681-K684 PolarHBondContact O-N 3.14Å; K684-R686 HydrophobicContact CB-CB 4.48Å; K684-R686 PolarHBondContact O-N 3Å; K684-R686 VanDerWaalsContact O-N 3.1Å
685	K	69.1	Low	86.9	Confident	122 Å²	122	34.7 Å²	34.7	53%	0.53	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	42	41.4	-170.1	-66.3	-172.1	179	-169.7	0	111.6	E681 R757	E681-K685 WeakPolarHBondContact O-CA 3.41Å; E681-K685 PolarHBondContact O-N 3.36Å; K685-R757 PolarHBondContact O-NH1 3.14Å
686	R	81.6	Confident	86.4	Confident	39 Å²	39	36 Å²	36	15%	0.147	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.1	172.6	177.1	-179.3	-175.7	-167	7.2	106.5	V680 E681 K684 C759 C760 C763	V680-R686 WeakPolarHBondContact CA-O 3.38Å; E681-R686 PolarHBondContact N-O 2.88Å; K684-R686 HydrophobicContact CB-CB 4.48Å; K684-R686 PolarHBondContact O-N 3Å; K684-R686 VanDerWaalsContact O-N 3.1Å; R686-C759 HydrophobicContact CG-CB 4.38Å; R686-C760 PolarHBondContact NH2-O 2.78Å; R686-C763 PolarHBondContact NH1-O 2.81Å; R686-C763 PolarHBondContact NH2-O 3.21Å; R686-C763 VanDerWaalsContact NH2-O 3.07Å
687	G	85.8	Confident	86.1	Confident	9 Å²	9	41.2 Å²	41.2	9%	0.093	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.7	177.8	0	0	0	0	0	112.3	R678 C679 D749	R678-G687 PolarHBondContact NH1-O 3.23Å; R678-G687 PolarHBondContact NH2-O 3.41Å; C679-G687 CarbonylContact O-C 3.58Å; C679-G687 VanDerWaalsContact O-CA 3.23Å; C679-G687 WeakPolarHBondContact O-CA 3.3Å; G687-D749 WeakPolarHBondContact CA-OD2 3.34Å; G687-D749 PolarHBondContact N-OD2 3.19Å
688	S	89.7	Confident	85.8	Confident	28 Å²	28	42.8 Å²	42.8	20%	0.196	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.4	173	-56.2	0	0	0	0	110.7	R678 C679	R678-S688 VanDerWaalsContact NH1-CA 3.27Å; R678-S688 PolarHBondContact NH1-O 3Å; C679-S688 PolarHBondContact N-O 3.33Å; C679-S688 PolarHBondContact O-N 2.92Å
689	T	94	Very high	85.5	Confident	9 Å²	9	45 Å²	45	6%	0.055	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.9	173.8	-56.9	0	0	0	0	108.2	F664 L676 V677 R678 C709 Y719	F664-T689 HydrophobicContact CD1-CG2 3.54Å; F664-T689 HydrophobicContact CE1-CG2 3.84Å; F664-T689 HydrophobicContact CG-CG2 4.48Å; L676-T689 HydrophobicContact CB-CG2 4.23Å; L676-T689 HydrophobicContact CD1-CG2 4.07Å; V677-T689 CarbonylContact O-C 3.46Å; V677-T689 WeakPolarHBondContact O-CA 3.48Å; R678-T689 PolarHBondContact NH1-OG1 3.38Å; T689-C709 HydrophobicContact CG2-CB 4.42Å; T689-C709 VanDerWaalsContact O-CB 3.27Å; T689-C709 WeakPolarHBondContact O-CB 3.34Å; T689-C709 PolarHBondContact O-N 3.1Å; T689-C709 PolarHBondContact O-SG 2.74Å; T689-Y719 HydrophobicContact CG2-CD2 4.16Å; T689-Y719 HydrophobicContact CG2-CG 4.12Å
690	V	95.1	Very high	85.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	128.1	-169.1	-175.6	0	0	0	0	110.3	L653 P654 V677 Y695 T708	L653-V690 HydrophobicContact CD2-CG1 4.43Å; P654-V690 HydrophobicContact CG-CG2 3.83Å; V677-V690 PolarHBondContact N-O 2.74Å; V677-V690 PolarHBondContact O-N 3.09Å; V690-Y695 HydrophobicContact CG1-CD2 3.69Å; V690-Y695 HydrophobicContact CG1-CG 3.79Å; V690-T708 HydrophobicContact CG2-CG2 4.03Å
691	C	96.3	Very high	85.1	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.014	29%	0.285	C	S	.	.			trans	-85.5	122.1	160.2	173.3	0	0	0	0	108	C669 D672 L676 N693 C694 Y695 C709	C669-C691 HydrophobicContact CB-CB 4.05Å; D672-C691 PolarHBondContact OD1-SG 2.94Å; D672-C691 PolarHBondContact OD2-SG 3.48Å; L676-C691 HydrophobicContact CD2-CB 3.66Å; C691-N693 VanDerWaalsContact C-N 3.26Å; C691-N693 PolarHBondContact O-N 3.12Å; C691-C694 HydrophobicContact CB-CB 3.91Å; C691-C694 PolarHBondContact O-N 3.14Å; C691-Y695 VanDerWaalsContact O-CB 3.22Å; C691-Y695 WeakPolarHBondContact O-CB 3.25Å; C691-Y695 PolarHBondContact O-N 3.2Å; C691-C709 PolarHBondContact N-SG 3.17Å; C691-C709 VanDerWaalsContact N-SG 3.38Å
692	P	95	Very high	85	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-54.3	-41.1	179.9	-25.8	32.8	0	0	0	113.6	T623 M632 V642 Y651 L653 F674 G675 V677 A696	T623-P692 HydrophobicContact CG2-CG 4.28Å; M632-P692 HydrophobicContact CE-CB 4.29Å; M632-P692 HydrophobicContact CE-CG 4.12Å; V642-P692 HydrophobicContact CG2-CB 3.77Å; V642-P692 HydrophobicContact CG2-CG 4.04Å; Y651-P692 HydrophobicContact CG-CB 4.32Å; L653-P692 HydrophobicContact CD2-CB 4.19Å; L653-P692 HydrophobicContact CD2-CG 4.14Å; F674-P692 HydrophobicContact CD1-CB 4.33Å; F674-P692 HydrophobicContact CD1-CG 4.49Å; G675-P692 WeakPolarHBondContact O-CD 3.22Å; V677-P692 HydrophobicContact CG2-CG 4.14Å; P692-A696 PolarHBondContact O-N 3.07Å
693	N	94.9	Very high	85.7	Confident	22 Å²	22	54.4 Å²	54.4	12%	0.118	27%	0.27	C	S	.	.	H	α-helix	trans	-74.8	-49	-178.8	-179.5	67.3	0	0	0	111.9	Y651 D672 F674 C691 Y695 A696 Q697	Y651-N693 HydrophobicContact CD1-CB 4.23Å; Y651-N693 HydrophobicContact CE1-CB 4.08Å; Y651-N693 WeakPolarHBondContact CE1-OD1 3.28Å; D672-N693 WeakPolarHBondContact OD2-CB 3.32Å; D672-N693 PolarHBondContact OD2-ND2 3.09Å; F674-N693 HydrophobicContact CD1-CB 4.15Å; F674-N693 HydrophobicContact CD2-CB 3.6Å; F674-N693 HydrophobicContact CE1-CB 4.11Å; F674-N693 HydrophobicContact CE2-CB 3.57Å; F674-N693 HydrophobicContact CG-CB 3.91Å; F674-N693 HydrophobicContact CZ-CB 3.84Å; C691-N693 VanDerWaalsContact C-N 3.26Å; C691-N693 PolarHBondContact O-N 3.12Å; N693-Y695 PolarHBondContact O-N 3.35Å; N693-A696 PolarHBondContact O-N 3.22Å; N693-Q697 WeakPolarHBondContact O-CA 3.22Å; N693-Q697 PolarHBondContact O-N 2.98Å
694	C	94.3	Very high	86.7	Confident	10 Å²	10	51.7 Å²	51.7	7%	0.068	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-27.4	176	-56.6	0	0	0	0	113.7	D672 C691 Q697 P698 P699	D672-C694 PolarHBondContact OD2-SG 3.31Å; D672-C694 VanDerWaalsContact OD2-SG 3.38Å; C691-C694 HydrophobicContact CB-CB 3.91Å; C691-C694 PolarHBondContact O-N 3.14Å; C694-Q697 WeakPolarHBondContact CA-O 3.18Å; C694-Q697 CarbonylContact O-C 3.55Å; C694-P698 VanDerWaalsContact O-CA 3.25Å; C694-P698 WeakPolarHBondContact O-CA 3.34Å; C694-P699 HydrophobicContact CB-CG 4.44Å
695	Y	93.4	Very high	87.7	Confident	25 Å²	25	51 Å²	51	10%	0.098	26%	0.262	C	S	.	.	H	α-helix	trans	-68.8	-43.7	176.6	-174.5	-96.3	0	0	0	111.6	L652 P654 V690 C691 N693 N706 S707	L652-Y695 VanDerWaalsContact O-CD1 3.23Å; L652-Y695 WeakPolarHBondContact O-CD1 3.47Å; P654-Y695 WeakPolarHBondContact CA-OH 3.42Å; P654-Y695 HydrophobicContact CG-CD2 4.33Å; P654-Y695 HydrophobicContact CG-CE2 3.65Å; V690-Y695 HydrophobicContact CG1-CD2 3.69Å; V690-Y695 HydrophobicContact CG1-CG 3.79Å; C691-Y695 VanDerWaalsContact O-CB 3.22Å; C691-Y695 WeakPolarHBondContact O-CB 3.25Å; C691-Y695 PolarHBondContact O-N 3.2Å; N693-Y695 PolarHBondContact O-N 3.35Å; Y695-N706 HydrophobicContact CE1-CB 4.11Å; Y695-N706 WeakPolarHBondContact CE1-OD1 3.26Å; Y695-N706 VanDerWaalsContact CE2-CA 3.41Å; Y695-N706 HydrophobicContact CE2-CB 3.8Å; Y695-N706 WeakPolarHBondContact CE2-O 3.45Å; Y695-N706 WeakPolarHBondContact O-CA 3.34Å; Y695-N706 PolarHBondContact O-N 3.32Å; Y695-N706 WeakPolarHBondContact OH-CB 3.39Å; Y695-S707 WeakPolarHBondContact CD2-O 3.43Å
696	A	86.1	Confident	88.6	Confident	30 Å²	30	49 Å²	49	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-76.2	-39.6	177.3	0	0	0	0	0	112.2	Y651 P692 N693	Y651-A696 HydrophobicContact CD1-CB 4.39Å; P692-A696 PolarHBondContact O-N 3.07Å; N693-A696 PolarHBondContact O-N 3.22Å
697	Q	88.5	Confident	88.9	Confident	113 Å²	113	47.4 Å²	47.4	53%	0.528	25%	0.252	S	S	.	.	S	Bend	trans	-134	86.5	-174.8	-64.1	-179.6	7.4	0	0	109	N693 C694	N693-Q697 WeakPolarHBondContact O-CA 3.22Å; N693-Q697 PolarHBondContact O-N 2.98Å; C694-Q697 WeakPolarHBondContact CA-O 3.18Å; C694-Q697 CarbonylContact O-C 3.55Å
698	P	89.2	Confident	89.2	Confident	32 Å²	32	47.9 Å²	47.9	21%	0.208	25%	0.253	C	S	.	.			trans	-60.1	130.4	-179.1	-20.1	30	0	0	0	111.6	C694 F700 M703 Q704 V705	C694-P698 VanDerWaalsContact O-CA 3.25Å; C694-P698 WeakPolarHBondContact O-CA 3.34Å; P698-F700 VanDerWaalsContact C-N 3.27Å; P698-F700 PolarHBondContact O-N 3.3Å; P698-M703 HydrophobicContact CB-CB 3.5Å; P698-M703 HydrophobicContact CB-CE 4.45Å; P698-M703 HydrophobicContact CG-CB 4.45Å; P698-Q704 VanDerWaalsContact CG-C 3.45Å; P698-Q704 WeakPolarHBondContact CG-O 3.48Å; P698-V705 HydrophobicContact CG-CG2 4.4Å
699	P	88	Confident	89.4	Confident	54 Å²	54	47 Å²	47	35%	0.351	25%	0.247	S	C	.	.	S	Bend	trans	-77.7	-7.3	-173.7	29	-35.3	0	0	0	114.5	I671 C694 M703	I671-P699 HydrophobicContact CD1-CG 3.92Å; I671-P699 HydrophobicContact CG2-CB 4.33Å; C694-P699 HydrophobicContact CB-CG 4.44Å; P699-M703 HydrophobicContact CG-SD 4.38Å
700	F	88.9	Confident	89.2	Confident	57 Å²	57	47.7 Å²	47.7	25%	0.25	25%	0.252	C	S	.	.	S	Bend	trans	-130.3	144.2	-176.3	-48.2	-60.7	0	0	0	110.8	I671 P698 D702 M703 T713 H714	I671-F700 HydrophobicContact CD1-CE2 3.93Å; I671-F700 HydrophobicContact CD1-CZ 3.82Å; P698-F700 VanDerWaalsContact C-N 3.27Å; P698-F700 PolarHBondContact O-N 3.3Å; F700-D702 VanDerWaalsContact CB-OD1 3.3Å; F700-D702 WeakPolarHBondContact CB-OD1 3.36Å; F700-D702 PolarHBondContact O-N 2.9Å; F700-M703 HydrophobicContact CB-CG 4.35Å; F700-M703 HydrophobicContact CD2-CG 4.31Å; F700-M703 HydrophobicContact CD2-SD 3.6Å; F700-M703 HydrophobicContact CE2-SD 4.29Å; F700-M703 PolarHBondContact O-N 3.37Å; F700-T713 VanDerWaalsContact CD2-OG1 3.23Å; F700-T713 WeakPolarHBondContact CD2-OG1 3.44Å; F700-H714 HydrophobicContact CE2-CB 3.88Å; F700-H714 HydrophobicContact CZ-CB 3.71Å; F700-H714 AromaticContact CZ-CD2 3.68Å
701	E	82.6	Confident	89	Confident	210 Å²	210	49.9 Å²	49.9	98%	0.981	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.9	-178.7	-66.4	-178.8	173.5	0	0	113.6	M703	E701-M703 VanDerWaalsContact C-N 3.31Å
702	D	80.1	Confident	88.8	Confident	67 Å²	67	50 Å²	50	36%	0.358	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.4	179.7	70.3	-26.1	0	0	0	113.8	F700 T713 R742	F700-D702 VanDerWaalsContact CB-OD1 3.3Å; F700-D702 WeakPolarHBondContact CB-OD1 3.36Å; F700-D702 PolarHBondContact O-N 2.9Å; D702-T713 WeakPolarHBondContact OD2-CG2 3.45Å; D702-R742 IonicContact OD2-CZ 2.67Å; D702-R742 IonicContact OD2-NE 3.92Å; D702-R742 PolarHBondContact OD2-NE 2.84Å; D702-R742 IonicContact OD2-NH1 2.7Å; D702-R742 PolarHBondContact OD2-NH1 3.37Å; D702-R742 IonicContact OD2-NH2 3.09Å; D702-R742 PolarHBondContact OD2-NH2 3.45Å
703	M	84.5	Confident	88.5	Confident	16 Å²	16	51.1 Å²	51.1	8%	0.079	27%	0.27	C	S	.	.	S	Bend	trans	-97.1	139.3	172.9	-68.1	-175.9	65.1	0	0	111.4	P698 P699 F700 E701 C712	P698-M703 HydrophobicContact CB-CB 3.5Å; P698-M703 HydrophobicContact CB-CE 4.45Å; P698-M703 HydrophobicContact CG-CB 4.45Å; P699-M703 HydrophobicContact CG-SD 4.38Å; F700-M703 HydrophobicContact CB-CG 4.35Å; F700-M703 HydrophobicContact CD2-CG 4.31Å; F700-M703 HydrophobicContact CD2-SD 3.6Å; F700-M703 HydrophobicContact CE2-SD 4.29Å; F700-M703 PolarHBondContact O-N 3.37Å; E701-M703 VanDerWaalsContact C-N 3.31Å; M703-C712 HydrophobicContact CE-CB 4.46Å; M703-C712 HydrophobicContact SD-CB 4.39Å
704	Q	82.6	Confident	88.4	Confident	131 Å²	131	52.4 Å²	52.4	61%	0.612	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-92	155	175.1	-66.2	-175.9	-12.4	0	0	110.6	P698 N706 S707	P698-Q704 VanDerWaalsContact CG-C 3.45Å; P698-Q704 WeakPolarHBondContact CG-O 3.48Å; Q704-N706 PolarHBondContact O-N 3.15Å; Q704-S707 PolarHBondContact N-OG 3.12Å; Q704-S707 WeakPolarHBondContact O-CB 3.43Å; Q704-S707 PolarHBondContact O-N 3.03Å; Q704-S707 PolarHBondContact O-OG 2.96Å
705	V	82.5	Confident	88.1	Confident	94 Å²	94	56.7 Å²	56.7	57%	0.57	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	141.2	168.9	-179.5	0	0	0	0	108.7	P698 S707	P698-V705 HydrophobicContact CG-CG2 4.4Å; V705-S707 VanDerWaalsContact C-N 3.3Å
706	N	86.6	Confident	88.1	Confident	81 Å²	81	59.7 Å²	59.7	43%	0.433	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	16.5	-171.7	-49.1	-47.5	0	0	0	115	Y695 Q704	Y695-N706 HydrophobicContact CE1-CB 4.11Å; Y695-N706 WeakPolarHBondContact CE1-OD1 3.26Å; Y695-N706 VanDerWaalsContact CE2-CA 3.41Å; Y695-N706 HydrophobicContact CE2-CB 3.8Å; Y695-N706 WeakPolarHBondContact CE2-O 3.45Å; Y695-N706 WeakPolarHBondContact O-CA 3.34Å; Y695-N706 PolarHBondContact O-N 3.32Å; Y695-N706 WeakPolarHBondContact OH-CB 3.39Å; Q704-N706 PolarHBondContact O-N 3.15Å
707	S	89	Confident	88.4	Confident	5 Å²	5	58.4 Å²	58.4	4%	0.035	31%	0.313	C	S	.	.			trans	-71.1	137.7	172.5	-83.9	0	0	0	0	112.4	Y695 Q704 V705 Q711	Y695-S707 WeakPolarHBondContact CD2-O 3.43Å; Q704-S707 PolarHBondContact N-OG 3.12Å; Q704-S707 WeakPolarHBondContact O-CB 3.43Å; Q704-S707 PolarHBondContact O-N 3.03Å; Q704-S707 PolarHBondContact O-OG 2.96Å; V705-S707 VanDerWaalsContact C-N 3.3Å; S707-Q711 VanDerWaalsContact CB-OE1 3.22Å; S707-Q711 PolarHBondContact OG-OE1 2.95Å
708	T	91.7	Very high	88.6	Confident	20 Å²	20	56 Å²	56	12%	0.123	31%	0.308	C	S	.	.			trans	-88.1	170.1	175.7	71.6	0	0	0	0	110.9	V690 S710 Q711	V690-T708 HydrophobicContact CG2-CG2 4.03Å; T708-S710 PolarHBondContact O-N 3.38Å; T708-S710 PolarHBondContact OG1-OG 3Å; T708-Q711 PolarHBondContact O-N 3.03Å
709	C	93.8	Very high	88.8	Confident	9 Å²	9	56 Å²	56	6%	0.061	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-57.6	-26.5	178.6	-64.5	0	0	0	0	112.8	T689 C691 Q711 C712 Y719 S720	T689-C709 HydrophobicContact CG2-CB 4.42Å; T689-C709 VanDerWaalsContact O-CB 3.27Å; T689-C709 WeakPolarHBondContact O-CB 3.34Å; T689-C709 PolarHBondContact O-N 3.1Å; T689-C709 PolarHBondContact O-SG 2.74Å; C691-C709 PolarHBondContact N-SG 3.17Å; C691-C709 VanDerWaalsContact N-SG 3.38Å; C709-Q711 PolarHBondContact O-N 3.34Å; C709-Q711 VanDerWaalsContact O-N 3.09Å; C709-C712 WeakPolarHBondContact O-CB 3.44Å; C709-C712 PolarHBondContact O-N 3.41Å; C709-Y719 CarbonylContact C-O 3.51Å; C709-Y719 CarbonylContact O-C 3.24Å; C709-S720 WeakPolarHBondContact O-CA 3.04Å
710	S	90.6	Very high	89	Confident	24 Å²	24	53.5 Å²	53.5	17%	0.168	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-67.1	-7.2	176	66.9	0	0	0	0	115	T708 Y719 L721	T708-S710 PolarHBondContact O-N 3.38Å; T708-S710 PolarHBondContact OG1-OG 3Å; S710-Y719 PolarHBondContact N-O 3.04Å; S710-L721 WeakPolarHBondContact O-CB 3.42Å
711	Q	90.5	Very high	89	Confident	45 Å²	45	51.6 Å²	51.6	21%	0.21	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-108.9	-3.6	171.5	-63.8	173.1	-63.8	0	0	112.2	S707 T708 C709 N761	S707-Q711 VanDerWaalsContact CB-OE1 3.22Å; S707-Q711 PolarHBondContact OG-OE1 2.95Å; T708-Q711 PolarHBondContact O-N 3.03Å; C709-Q711 PolarHBondContact O-N 3.34Å; C709-Q711 VanDerWaalsContact O-N 3.09Å; Q711-N761 HydrophobicContact CG-CB 4.3Å; Q711-N761 PolarHBondContact NE2-O 3.46Å
712	C	92.2	Very high	89.3	Confident	6 Å²	6	45.2 Å²	45.2	4%	0.041	25%	0.252	C	S	.	.			trans	-64.3	140.2	174.4	179.4	0	0	0	0	110	M703 C709 H714 S720 L721	M703-C712 HydrophobicContact CE-CB 4.46Å; M703-C712 HydrophobicContact SD-CB 4.39Å; C709-C712 WeakPolarHBondContact O-CB 3.44Å; C709-C712 PolarHBondContact O-N 3.41Å; C712-H714 PolarHBondContact SG-N 3.05Å; C712-S720 WeakPolarHBondContact O-CA 3.08Å; C712-S720 WeakPolarHBondContact O-CB 3.45Å; C712-L721 WeakPolarHBondContact O-CB 3.24Å; C712-L721 PolarHBondContact O-N 3.47Å
713	T	89.6	Confident	89.9	Confident	22 Å²	22	43.1 Å²	43.1	14%	0.135	24%	0.244	C	C	.	.			trans	-112	5.4	-177.8	54.6	0	0	0	0	112.4	F700 D702 I722	F700-T713 VanDerWaalsContact CD2-OG1 3.23Å; F700-T713 WeakPolarHBondContact CD2-OG1 3.44Å; D702-T713 WeakPolarHBondContact OD2-CG2 3.45Å; T713-I722 WeakPolarHBondContact O-CD1 3.45Å
714	H	91.9	Very high	90.3	Very high	50 Å²	50	43.7 Å²	43.7	23%	0.231	25%	0.246	C	C	.	.			trans	-70.1	123.2	176.1	-160.9	-92.4	0	0	0	110.7	I671 F700 C712 T716 C717 S720	I671-H714 HydrophobicContact CD1-CB 3.77Å; I671-H714 HydrophobicContact CG1-CB 4.12Å; F700-H714 HydrophobicContact CE2-CB 3.88Å; F700-H714 HydrophobicContact CZ-CB 3.71Å; F700-H714 AromaticContact CZ-CD2 3.68Å; C712-H714 PolarHBondContact SG-N 3.05Å; H714-T716 VanDerWaalsContact C-N 3.26Å; H714-T716 PolarHBondContact CE1-OG1 3.43Å; H714-T716 PolarHBondContact ND1-N 2.89Å; H714-T716 PolarHBondContact ND1-OG1 3.43Å; H714-T716 PolarHBondContact O-N 3.15Å; H714-C717 HydrophobicContact CB-CB 4.13Å; H714-C717 WeakPolarHBondContact O-CB 3.43Å; H714-C717 PolarHBondContact O-N 3.35Å; H714-C717 VanDerWaalsContact O-N 3.07Å; H714-S720 WeakPolarHBondContact O-CB 3.28Å
715	P	88.7	Confident	90.8	Very high	99 Å²	99	37.7 Å²	37.7	64%	0.643	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.9	-173	24.9	-34.1	0	0	0	113.2	C717	P715-C717 VanDerWaalsContact C-N 3.35Å
716	T	92.3	Very high	91.2	Very high	88 Å²	88	33.4 Å²	33.4	54%	0.54	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.4	177.9	75.5	0	0	0	0	113.7	H714 P718	H714-T716 VanDerWaalsContact C-N 3.26Å; H714-T716 PolarHBondContact CE1-OG1 3.43Å; H714-T716 PolarHBondContact ND1-N 2.89Å; H714-T716 PolarHBondContact ND1-OG1 3.43Å; H714-T716 PolarHBondContact O-N 3.15Å; T716-P718 VanDerWaalsContact O-CD 3.26Å; T716-P718 WeakPolarHBondContact O-CD 3.49Å
717	C	93.5	Very high	91.5	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.027	18%	0.183	C	C	.	.			trans	-77.6	114.1	176.6	175	0	0	0	0	109.3	P670 H714 P715 Y719 S720	P670-C717 HydrophobicContact CG-CB 4Å; H714-C717 HydrophobicContact CB-CB 4.13Å; H714-C717 WeakPolarHBondContact O-CB 3.43Å; H714-C717 PolarHBondContact O-N 3.35Å; H714-C717 VanDerWaalsContact O-N 3.07Å; P715-C717 VanDerWaalsContact C-N 3.35Å; C717-Y719 PolarHBondContact O-N 3.43Å; C717-Y719 VanDerWaalsContact O-N 3.1Å; C717-S720 WeakPolarHBondContact O-CB 2.75Å; C717-S720 PolarHBondContact O-N 2.93Å; C717-S720 VanDerWaalsContact O-N 3.08Å; C717-S720 PolarHBondContact O-OG 2.99Å
718	P	91.8	Very high	91.4	Very high	63 Å²	63	34.7 Å²	34.7	41%	0.409	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.4	-176.4	28.8	-34.9	0	0	0	112.4	T716 A723 Q724	T716-P718 VanDerWaalsContact O-CD 3.26Å; T716-P718 WeakPolarHBondContact O-CD 3.49Å; P718-A723 WeakPolarHBondContact O-CB 3.47Å; P718-Q724 WeakPolarHBondContact O-CG 3.49Å; P718-Q724 PolarHBondContact O-NE2 3.31Å
719	Y	93.1	Very high	91.2	Very high	32 Å²	32	33.9 Å²	33.9	13%	0.125	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	6.5	178.8	-46.2	-63.8	0	0	0	112.9	F664 N667 L676 T689 C709 S710 C717 V750	F664-Y719 HydrophobicContact CE1-CD1 4.11Å; F664-Y719 AromaticContact CE1-CE1 3.5Å; F664-Y719 HydrophobicContact CE1-CE1 3.5Å; F664-Y719 VanDerWaalsContact CE1-CE1 3.5Å; F664-Y719 HydrophobicContact CE1-CE2 4.23Å; F664-Y719 AromaticContact CE1-CZ 3.55Å; F664-Y719 HydrophobicContact CZ-CE1 4.15Å; N667-Y719 HydrophobicContact CB-CE2 4.34Å; N667-Y719 PolarHBondContact ND2-OH 3.36Å; N667-Y719 PolarHBondContact OD1-OH 3.06Å; L676-Y719 HydrophobicContact CD1-CD2 3.37Å; L676-Y719 HydrophobicContact CD1-CE2 3.19Å; T689-Y719 HydrophobicContact CG2-CD2 4.16Å; T689-Y719 HydrophobicContact CG2-CG 4.12Å; C709-Y719 CarbonylContact C-O 3.51Å; C709-Y719 CarbonylContact O-C 3.24Å; S710-Y719 PolarHBondContact N-O 3.04Å; C717-Y719 PolarHBondContact O-N 3.43Å; C717-Y719 VanDerWaalsContact O-N 3.1Å; Y719-V750 HydrophobicContact CD1-CG2 3.98Å; Y719-V750 HydrophobicContact CE1-CG2 4.14Å
720	S	92.6	Very high	90.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-65	163.2	179.8	63	0	0	0	0	112.4	C709 C712 H714 C717 I722 A723 Q724	C709-S720 WeakPolarHBondContact O-CA 3.04Å; C712-S720 WeakPolarHBondContact O-CA 3.08Å; C712-S720 WeakPolarHBondContact O-CB 3.45Å; H714-S720 WeakPolarHBondContact O-CB 3.28Å; C717-S720 WeakPolarHBondContact O-CB 2.75Å; C717-S720 PolarHBondContact O-N 2.93Å; C717-S720 VanDerWaalsContact O-N 3.08Å; C717-S720 PolarHBondContact O-OG 2.99Å; S720-I722 PolarHBondContact O-N 3.44Å; S720-I722 PolarHBondContact OG-N 3.11Å; S720-A723 PolarHBondContact O-N 3.05Å; S720-A723 WeakPolarHBondContact OG-CB 3.39Å; S720-A723 PolarHBondContact OG-N 2.83Å; S720-Q724 PolarHBondContact O-N 3.18Å
721	L	89.3	Confident	90.3	Very high	18 Å²	18	42.7 Å²	42.7	9%	0.094	23%	0.232	C	C	.	.	H	α-helix	trans	-56.2	-36.6	167.6	-177	60.9	0	0	0	111.8	S710 C712 G725 L745 V747 N761	S710-L721 WeakPolarHBondContact O-CB 3.42Å; C712-L721 WeakPolarHBondContact O-CB 3.24Å; C712-L721 PolarHBondContact O-N 3.47Å; L721-G725 VanDerWaalsContact O-CA 3.27Å; L721-G725 WeakPolarHBondContact O-CA 2.96Å; L721-G725 PolarHBondContact O-N 2.91Å; L721-L745 HydrophobicContact CD1-CB 3.84Å; L721-L745 HydrophobicContact CD1-CD1 3.69Å; L721-L745 HydrophobicContact CD1-CG 4Å; L721-L745 HydrophobicContact CG-CD1 4.06Å; L721-V747 HydrophobicContact CD1-CG1 3.85Å; L721-N761 WeakPolarHBondContact CD1-ND2 3.43Å
722	I	88.8	Confident	89.9	Confident	76 Å²	76	41.4 Å²	41.4	39%	0.39	23%	0.227	S	C	.	.	H	α-helix	trans	-68.4	-45.2	-179.6	-60.1	-179.2	0	0	0	110.2	T713 S720 K789	T713-I722 WeakPolarHBondContact O-CD1 3.45Å; S720-I722 PolarHBondContact O-N 3.44Å; S720-I722 PolarHBondContact OG-N 3.11Å; I722-K789 WeakPolarHBondContact O-CE 3.31Å; I722-K789 PolarHBondContact O-NZ 3.47Å
723	A	91.6	Very high	89.2	Confident	23 Å²	23	44.9 Å²	44.9	19%	0.19	26%	0.257	C	S	.	.	H	α-helix	trans	-72.1	-43.3	-178.8	0	0	0	0	0	112.5	P718 S720	P718-A723 WeakPolarHBondContact O-CB 3.47Å; S720-A723 PolarHBondContact O-N 3.05Å; S720-A723 WeakPolarHBondContact OG-CB 3.39Å; S720-A723 PolarHBondContact OG-N 2.83Å
724	Q	93.7	Very high	88.3	Confident	28 Å²	28	51.2 Å²	51.2	13%	0.131	29%	0.285	C	S	.	.	H	α-helix	trans	-105.5	-6.5	-168.7	-59.6	-56.2	-36.9	0	0	114.7	P718 S720 I726 V747 L748 V750	P718-Q724 WeakPolarHBondContact O-CG 3.49Å; P718-Q724 PolarHBondContact O-NE2 3.31Å; S720-Q724 PolarHBondContact O-N 3.18Å; Q724-I726 PolarHBondContact O-N 3.44Å; Q724-V747 HydrophobicContact CB-CB 4.42Å; Q724-V747 HydrophobicContact CB-CG1 4.31Å; Q724-V747 VanDerWaalsContact O-CA 3.28Å; Q724-V747 WeakPolarHBondContact O-CA 3.31Å; Q724-L748 PolarHBondContact O-N 3.22Å; Q724-V750 HydrophobicContact CG-CG1 4.03Å
725	G	92.2	Very high	87.1	Confident	4 Å²	4	52.4 Å²	52.4	4%	0.041	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	122.5	-179	0	0	0	0	0	112.2	L721 K789	L721-G725 VanDerWaalsContact O-CA 3.27Å; L721-G725 WeakPolarHBondContact O-CA 2.96Å; L721-G725 PolarHBondContact O-N 2.91Å; G725-K789 VanDerWaalsContact O-CD 3.27Å; G725-K789 WeakPolarHBondContact O-CD 3.3Å; G725-K789 WeakPolarHBondContact O-CG 2.98Å
726	I	92.4	Very high	85.5	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.026	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-55.8	-175.5	-54.8	172.9	0	0	0	111.3	Q724 M746 L748 M758 V778 A788 K789 V791 L816	Q724-I726 PolarHBondContact O-N 3.44Å; I726-M746 PolarHBondContact N-O 2.81Å; I726-L748 HydrophobicContact CD1-CB 4.25Å; I726-M758 HydrophobicContact CD1-CB 4.43Å; I726-M758 HydrophobicContact CD1-CE 4.49Å; I726-V778 HydrophobicContact CD1-CG2 4.2Å; I726-V778 HydrophobicContact CG1-CG1 4.45Å; I726-V778 HydrophobicContact CG1-CG2 3.84Å; I726-A788 CarbonylContact O-C 3.59Å; I726-A788 VanDerWaalsContact O-CA 3.23Å; I726-A788 WeakPolarHBondContact O-CA 3.39Å; I726-K789 PolarHBondContact O-N 3.38Å; I726-V791 HydrophobicContact CD1-CG2 4.01Å; I726-V791 HydrophobicContact CG1-CG2 4.27Å; I726-V791 HydrophobicContact CG2-CG2 4.09Å; I726-L816 HydrophobicContact CG2-CD1 4.01Å
727	L	91.2	Very high	83.4	Confident	43 Å²	43	59 Å²	59	23%	0.225	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	163.2	-176.4	69	133.6	0	0	0	112.5	L745 M746 M758 A788	L727-L745 CarbonylContact O-C 3.12Å; L727-L745 WeakPolarHBondContact O-CA 3.27Å; L727-M746 HydrophobicContact CD2-CB 4.43Å; L727-M746 HydrophobicContact CG-CB 4.32Å; L727-M746 HydrophobicContact CG-CG 4.4Å; L727-M746 PolarHBondContact O-N 2.81Å; L727-M758 HydrophobicContact CD2-CE 4.14Å; L727-M758 HydrophobicContact CD2-SD 4.16Å; L727-A788 HydrophobicContact CB-CB 3.91Å
728	P	88	Confident	81.4	Confident	69 Å²	69	63.8 Å²	63.8	45%	0.448	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	143	175.2	-24.2	35.2	0	0	0	113.9	R730 L745	P728-R730 PolarHBondContact O-N 3.43Å; P728-L745 HydrophobicContact CB-CD2 4.41Å; P728-L745 HydrophobicContact CG-CD2 4.23Å
729	C	87.6	Confident	79.4	Confident	3 Å²	3	69.9 Å²	69.9	2%	0.02	37%	0.367	C	S	.	.			trans	-76.3	112.9	175.2	-177.7	0	0	0	0	111.3	L731 C732 A733 P744 M746 C760	C729-L731 VanDerWaalsContact C-N 3.34Å; C729-L731 PolarHBondContact O-N 3.43Å; C729-C732 HydrophobicContact CB-CB 4.07Å; C729-C732 PolarHBondContact O-N 2.99Å; C729-C732 VanDerWaalsContact SG-SG 3.65Å; C729-A733 PolarHBondContact O-N 2.84Å; C729-P744 HydrophobicContact CB-CB 4.37Å; C729-P744 PolarHBondContact N-O 3.32Å; C729-M746 HydrophobicContact CB-CG 4.4Å; C729-M746 HydrophobicContact CB-SD 4.07Å; C729-C760 HydrophobicContact CB-CB 4.31Å; C729-C760 VanDerWaalsContact SG-SG 3.61Å
730	R	83.2	Confident	77.6	Confident	139 Å²	139	71.1 Å²	71.1	53%	0.525	38%	0.377	S	S	.	.	H	α-helix	trans	-59.5	-40	-179.9	-65	-170.3	-176	-174.8	5.3	113.1	P728 A733 Q734	P728-R730 PolarHBondContact O-N 3.43Å; R730-A733 PolarHBondContact O-N 3.12Å; R730-Q734 WeakPolarHBondContact O-CG 3.42Å; R730-Q734 PolarHBondContact O-N 3.07Å
731	L	82.8	Confident	75.9	Confident	79 Å²	79	75.9 Å²	75.9	41%	0.414	42%	0.417	S	S	.	.	H	α-helix	trans	-66.4	-38.7	179.1	-66.4	-174.1	0	0	0	112.4	C729 A733 Q734 A735 H765	C729-L731 VanDerWaalsContact C-N 3.34Å; C729-L731 PolarHBondContact O-N 3.43Å; L731-A733 VanDerWaalsContact C-N 3.34Å; L731-Q734 PolarHBondContact O-N 3.09Å; L731-A735 WeakPolarHBondContact O-CB 3.44Å; L731-A735 PolarHBondContact O-N 2.78Å; L731-H765 HydrophobicContact CD1-CB 3.92Å; L731-H765 VanDerWaalsContact CD1-ND1 3.32Å; L731-H765 WeakPolarHBondContact CD1-ND1 3.45Å
732	C	81.5	Confident	74.8	Confident	18 Å²	18	81.5 Å²	81.5	12%	0.122	44%	0.437	C	S	.	.	H	α-helix	trans	-68.5	-37.5	175.6	-64.5	0	0	0	0	111.3	C729 Q734 A735 P744 C760 C763	C729-C732 HydrophobicContact CB-CB 4.07Å; C729-C732 PolarHBondContact O-N 2.99Å; C729-C732 VanDerWaalsContact SG-SG 3.65Å; C732-Q734 VanDerWaalsContact C-N 3.31Å; C732-Q734 PolarHBondContact O-N 3.14Å; C732-A735 PolarHBondContact O-N 2.93Å; C732-P744 HydrophobicContact CB-CB 3.92Å; C732-P744 HydrophobicContact CB-CG 3.84Å; C732-C760 VanDerWaalsContact SG-SG 3.61Å; C732-C763 PolarHBondContact SG-SG 2.93Å
733	A	76.5	Confident	74.1	Confident	80 Å²	80	86.2 Å²	86.2	66%	0.661	45%	0.454	S	S	*	.	H	α-helix	trans	-63.9	-36.1	175.7	0	0	0	0	0	112.3	C729 R730 L731	C729-A733 PolarHBondContact O-N 2.84Å; R730-A733 PolarHBondContact O-N 3.12Å; L731-A733 VanDerWaalsContact C-N 3.34Å
734	Q	72.7	Confident	73.8	Confident	154 Å²	154	86.3 Å²	86.3	72%	0.72	45%	0.453	S	S	*	.	H	α-helix	trans	-75.9	-33.1	176.3	-72.7	172.4	-11	0	0	113	R730 L731 C732	R730-Q734 WeakPolarHBondContact O-CG 3.42Å; R730-Q734 PolarHBondContact O-N 3.07Å; L731-Q734 PolarHBondContact O-N 3.09Å; C732-Q734 VanDerWaalsContact C-N 3.31Å; C732-Q734 PolarHBondContact O-N 3.14Å
735	A	66	Low	73.6	Confident	75 Å²	75	87 Å²	87	62%	0.62	46%	0.457	S	S	*	.	H	α-helix	trans	-86	-7.8	-167	0	0	0	0	0	115.7	L731 C732	L731-A735 WeakPolarHBondContact O-CB 3.44Å; L731-A735 PolarHBondContact O-N 2.78Å; C732-A735 PolarHBondContact O-N 2.93Å
736	S	55	Low	73.6	Confident	62 Å²	62	87 Å²	87	43%	0.434	46%	0.457	S	S	.	.			trans	-156.5	123.9	-167.9	-78.4	0	0	0	0	118.5	M738	S736-M738 VanDerWaalsContact CB-CG 3.48Å; S736-M738 PolarHBondContact O-N 3.42Å; S736-M738 WeakPolarHBondContact OG-CG 3.15Å
737	R	47.3	Very low	73.6	Confident	263 Å²	263	87.1 Å²	87.1	99%	0.992	46%	0.457	S	S	*	.			trans	-61	51.8	140.1	-68.7	178.1	172	169.5	-3	111.6
738	M	52.7	Low	73.7	Confident	106 Å²	106	85.6 Å²	85.6	52%	0.522	45%	0.449	S	S	.	.			trans	-100.1	123.1	-178.3	-86.2	-172.1	127.1	0	0	112.6	S736 V740 Y762	S736-M738 VanDerWaalsContact CB-CG 3.48Å; S736-M738 PolarHBondContact O-N 3.42Å; S736-M738 WeakPolarHBondContact OG-CG 3.15Å; M738-V740 HydrophobicContact CB-CG2 3.84Å; M738-V740 PolarHBondContact O-N 2.78Å; M738-V740 HydrophobicContact SD-CG2 4.38Å; M738-Y762 HydrophobicContact SD-CE1 4.32Å
739	L	49.9	Very low	73.8	Confident	191 Å²	191	82.7 Å²	82.7	100%	1	43%	0.43	S	S	*	.			trans	-67.3	64.7	162	-76	148.4	0	0	0	110.5
740	V	54.1	Low	73.9	Confident	58 Å²	58	84.3 Å²	84.3	35%	0.352	44%	0.439	S	S	.	.			trans	-99.3	129.3	164.1	-159.1	0	0	0	0	107	M738 R742	M738-V740 HydrophobicContact CB-CG2 3.84Å; M738-V740 PolarHBondContact O-N 2.78Å; M738-V740 HydrophobicContact SD-CG2 4.38Å; V740-R742 PolarHBondContact O-N 3.15Å
741	A	57.3	Low	74.1	Confident	100 Å²	100	80.5 Å²	80.5	83%	0.826	43%	0.43	S	S	*	.	S	Bend	trans	-54.8	-21.1	-174.5	0	0	0	0	0	114
742	R	65.2	Low	74.4	Confident	135 Å²	135	77.3 Å²	77.3	51%	0.509	41%	0.414	S	S	.	.	S	Bend	trans	-137.5	144.9	176.9	-67.3	-175.6	179	-171.6	3.5	112.6	D702 V740	D702-R742 IonicContact OD2-CZ 2.67Å; D702-R742 IonicContact OD2-NE 3.92Å; D702-R742 PolarHBondContact OD2-NE 2.84Å; D702-R742 IonicContact OD2-NH1 2.7Å; D702-R742 PolarHBondContact OD2-NH1 3.37Å; D702-R742 IonicContact OD2-NH2 3.09Å; D702-R742 PolarHBondContact OD2-NH2 3.45Å; V740-R742 PolarHBondContact O-N 3.15Å
743	K	75.4	Confident	74.5	Confident	176 Å²	176	78.2 Å²	78.2	77%	0.765	43%	0.427	S	S	*	.			trans	-68.1	126.8	177.6	-68.3	-179	-179.7	177	0	110.5
744	P	84.7	Confident	74.7	Confident	25 Å²	25	78.7 Å²	78.7	16%	0.162	42%	0.423	C	S	.	.			trans	-58.2	137.3	176.3	-28	36.7	0	0	0	113.3	C729 C732 N761 Y762	C729-P744 HydrophobicContact CB-CB 4.37Å; C729-P744 PolarHBondContact N-O 3.32Å; C732-P744 HydrophobicContact CB-CB 3.92Å; C732-P744 HydrophobicContact CB-CG 3.84Å; P744-N761 WeakPolarHBondContact CA-OD1 3.21Å; P744-Y762 HydrophobicContact CG-CD1 4.21Å; P744-Y762 HydrophobicContact CG-CG 4.08Å
745	L	89.6	Confident	75.4	Confident	41 Å²	41	77.4 Å²	77.4	22%	0.215	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	151.4	-180	-57.9	-176.3	0	0	0	111.5	L721 L727 P728 C760 N761	L721-L745 HydrophobicContact CD1-CB 3.84Å; L721-L745 HydrophobicContact CD1-CD1 3.69Å; L721-L745 HydrophobicContact CD1-CG 4Å; L721-L745 HydrophobicContact CG-CD1 4.06Å; L727-L745 CarbonylContact O-C 3.12Å; L727-L745 WeakPolarHBondContact O-CA 3.27Å; P728-L745 HydrophobicContact CB-CD2 4.41Å; P728-L745 HydrophobicContact CG-CD2 4.23Å; L745-C760 WeakPolarHBondContact O-CA 3.38Å; L745-N761 PolarHBondContact N-OD1 3.26Å; L745-N761 PolarHBondContact O-N 3.5Å; L745-N761 PolarHBondContact O-OD1 3.34Å
746	M	92.1	Very high	76.5	Confident	6 Å²	6	74.9 Å²	74.9	3%	0.03	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	118.7	160.6	-60.7	-59.3	-66.6	0	0	108.2	I726 L727 C729 M758 C759 C760 V767	I726-M746 PolarHBondContact N-O 2.81Å; L727-M746 HydrophobicContact CD2-CB 4.43Å; L727-M746 HydrophobicContact CG-CB 4.32Å; L727-M746 HydrophobicContact CG-CG 4.4Å; L727-M746 PolarHBondContact O-N 2.81Å; C729-M746 HydrophobicContact CB-CG 4.4Å; C729-M746 HydrophobicContact CB-SD 4.07Å; M746-M758 HydrophobicContact CB-CB 4.38Å; M746-M758 HydrophobicContact CB-CG 4.46Å; M746-M758 HydrophobicContact CB-SD 3.78Å; M746-M758 HydrophobicContact CE-CB 4.17Å; M746-M758 HydrophobicContact CE-CG 3.61Å; M746-M758 WeakPolarHBondContact CE-O 2.84Å; M746-M758 HydrophobicContact CE-SD 3.8Å; M746-M758 HydrophobicContact CG-SD 4.08Å; M746-C759 CarbonylContact C-O 3.55Å; M746-C759 WeakPolarHBondContact CA-O 3.35Å; M746-C760 HydrophobicContact SD-CB 3.82Å; M746-V767 HydrophobicContact CE-CG2 3.96Å
747	V	93.2	Very high	78.2	Confident	7 Å²	7	74.2 Å²	74.2	4%	0.042	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.2	179.6	-85.3	0	0	0	0	110.1	L721 Q724 D749 M758 C759 N761	L721-V747 HydrophobicContact CD1-CG1 3.85Å; Q724-V747 HydrophobicContact CB-CB 4.42Å; Q724-V747 HydrophobicContact CB-CG1 4.31Å; Q724-V747 VanDerWaalsContact O-CA 3.28Å; Q724-V747 WeakPolarHBondContact O-CA 3.31Å; V747-D749 PolarHBondContact O-N 3.48Å; V747-M758 CarbonylContact O-C 3.56Å; V747-M758 VanDerWaalsContact O-CA 3.26Å; V747-M758 WeakPolarHBondContact O-CA 3.46Å; V747-C759 WeakPolarHBondContact CG2-O 3.44Å; V747-C759 PolarHBondContact N-O 2.77Å; V747-C759 PolarHBondContact O-N 2.82Å; V747-N761 HydrophobicContact CG2-CB 3.94Å
748	L	92.9	Very high	80.3	Confident	11 Å²	11	62 Å²	62	6%	0.058	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	130.9	173.7	-179.8	64	0	0	0	110.7	Q724 I726 V750 W756 I769 V776 V778	Q724-L748 PolarHBondContact O-N 3.22Å; I726-L748 HydrophobicContact CD1-CB 4.25Å; L748-V750 HydrophobicContact CD2-CG1 4.45Å; L748-V750 HydrophobicContact CG-CG1 4.48Å; L748-V750 PolarHBondContact O-N 2.8Å; L748-W756 HydrophobicContact CD1-CE3 4.16Å; L748-I769 HydrophobicContact CD1-CD1 3.91Å; L748-V776 HydrophobicContact CD1-CB 4.39Å; L748-V776 HydrophobicContact CD1-CG1 3.72Å; L748-V776 HydrophobicContact CD2-CB 4.43Å; L748-V776 HydrophobicContact CD2-CG1 3.96Å; L748-V776 WeakPolarHBondContact CD2-O 3.48Å; L748-V778 HydrophobicContact CB-CG2 3.76Å; L748-V778 HydrophobicContact CD2-CG2 3.88Å; L748-V778 HydrophobicContact CG-CG2 4.45Å
749	D	91	Very high	82.1	Confident	8 Å²	8	57.2 Å²	57.2	4%	0.043	31%	0.309	C	S	.	.			trans	-80.3	96.5	163.5	-178	-36.5	0	0	0	108.5	R678 G687 V747 D751 S752 R757	R678-D749 IonicContact CZ-OD1 2.86Å; R678-D749 IonicContact NH2-OD1 2.9Å; R678-D749 PolarHBondContact NH2-OD1 2.9Å; R678-D749 IonicContact NH2-OD2 2.69Å; R678-D749 PolarHBondContact NH2-OD2 3.48Å; G687-D749 WeakPolarHBondContact CA-OD2 3.34Å; G687-D749 PolarHBondContact N-OD2 3.19Å; V747-D749 PolarHBondContact O-N 3.48Å; D749-D751 PolarHBondContact O-N 2.9Å; D749-D751 PolarHBondContact OD1-N 3.04Å; D749-D751 VanDerWaalsContact OD1-N 3.16Å; D749-S752 WeakPolarHBondContact CB-OG 3.4Å; D749-S752 VanDerWaalsContact CG-CB 3.44Å; D749-S752 PolarHBondContact O-N 2.94Å; D749-S752 PolarHBondContact O-OG 3.24Å; D749-S752 WeakPolarHBondContact OD1-CB 3.46Å; D749-S752 PolarHBondContact OD1-N 3.39Å; D749-S752 VanDerWaalsContact OD1-N 3.08Å; D749-R757 HydrophobicContact CB-CB 4.33Å; D749-R757 WeakPolarHBondContact CB-O 3.39Å; D749-R757 PolarHBondContact N-O 2.96Å
750	V	88.9	Confident	84	Confident	36 Å²	36	48.2 Å²	48.2	22%	0.218	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.4	-173.1	-62.3	0	0	0	0	115.4	F664 Y719 Q724 L748	F664-V750 HydrophobicContact CE1-CG2 4.32Å; F664-V750 HydrophobicContact CZ-CG2 3.88Å; Y719-V750 HydrophobicContact CD1-CG2 3.98Å; Y719-V750 HydrophobicContact CE1-CG2 4.14Å; Q724-V750 HydrophobicContact CG-CG1 4.03Å; L748-V750 HydrophobicContact CD2-CG1 4.45Å; L748-V750 HydrophobicContact CG-CG1 4.48Å; L748-V750 PolarHBondContact O-N 2.8Å
751	D	87.3	Confident	85.6	Confident	59 Å²	59	46.3 Å²	46.3	32%	0.316	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.3	24.6	-173.8	-171.8	37.1	0	0	0	111.1	R662 F664 R678 D749	R662-D751 IonicContact CZ-OD2 2.68Å; R662-D751 IonicContact NE-OD2 3.37Å; R662-D751 IonicContact NH2-OD1 3.58Å; R662-D751 IonicContact NH2-OD2 3.32Å; R662-D751 PolarHBondContact NH2-OD2 3.4Å; F664-D751 HydrophobicContact CE2-CB 3.92Å; F664-D751 HydrophobicContact CZ-CB 4.31Å; R678-D751 IonicContact NE-OD2 2.83Å; D749-D751 PolarHBondContact O-N 2.9Å; D749-D751 PolarHBondContact OD1-N 3.04Å; D749-D751 VanDerWaalsContact OD1-N 3.16Å
752	S	88.2	Confident	86.9	Confident	13 Å²	13	46.5 Å²	46.5	9%	0.091	23%	0.229	C	C	.	.			trans	-93.9	-5.7	179.4	55.2	0	0	0	0	113.9	D749 K755 W756 R757	D749-S752 WeakPolarHBondContact CB-OG 3.4Å; D749-S752 VanDerWaalsContact CG-CB 3.44Å; D749-S752 PolarHBondContact O-N 2.94Å; D749-S752 PolarHBondContact O-OG 3.24Å; D749-S752 WeakPolarHBondContact OD1-CB 3.46Å; D749-S752 PolarHBondContact OD1-N 3.39Å; D749-S752 VanDerWaalsContact OD1-N 3.08Å; S752-K755 CarbonylContact O-C 3.47Å; S752-K755 WeakPolarHBondContact O-CA 3.36Å; S752-K755 PolarHBondContact O-N 2.61Å; S752-W756 VanDerWaalsContact OG-CA 3.32Å; S752-W756 WeakPolarHBondContact OG-CA 3.23Å; S752-R757 PolarHBondContact OG-N 3.1Å
753	G	83.7	Confident	87.8	Confident	37 Å²	37	41.7 Å²	41.7	38%	0.381	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	145.9	177	0	0	0	0	0	113	K755	G753-K755 VanDerWaalsContact C-N 3.32Å
754	P	82.3	Confident	88.2	Confident	89 Å²	89	42.5 Å²	42.5	58%	0.578	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	cis	-83.1	1.5	-0.5	34.2	-36.5	0	0	0	113.9	W756 G772	P754-W756 PolarHBondContact O-N 2.61Å; P754-G772 PolarHBondContact O-N 2.87Å; P754-G772 VanDerWaalsContact O-N 3.13Å
755	K	86.2	Confident	88.3	Confident	128 Å²	128	44.4 Å²	44.4	56%	0.557	22%	0.221	S	C	*	.	S	Bend	trans	-99.2	62.4	177.4	-65.8	-171.1	-179.5	-171.6	0	109.9	S752 G753 R757	S752-K755 CarbonylContact O-C 3.47Å; S752-K755 WeakPolarHBondContact O-CA 3.36Å; S752-K755 PolarHBondContact O-N 2.61Å; G753-K755 VanDerWaalsContact C-N 3.32Å; K755-R757 WeakPolarHBondContact O-CG 3.43Å
756	W	89.6	Confident	88.2	Confident	21 Å²	21	44.2 Å²	44.2	8%	0.08	22%	0.223	C	C	.	.			trans	-54.9	145.6	-172.5	-65.7	97.6	0	0	0	112.8	L748 S752 P754 P768 I769 A773 V776	L748-W756 HydrophobicContact CD1-CE3 4.16Å; S752-W756 VanDerWaalsContact OG-CA 3.32Å; S752-W756 WeakPolarHBondContact OG-CA 3.23Å; P754-W756 PolarHBondContact O-N 2.61Å; W756-P768 WeakPolarHBondContact O-CA 3.14Å; W756-I769 CarbonylContact C-O 3.59Å; W756-I769 HydrophobicContact CB-CG1 3.94Å; W756-I769 VanDerWaalsContact CB-O 3.3Å; W756-I769 WeakPolarHBondContact CB-O 3.43Å; W756-I769 PolarHBondContact O-N 3.1Å; W756-A773 PolarHBondContact NE1-O 2.67Å; W756-V776 HydrophobicContact CB-CG2 4.18Å; W756-V776 HydrophobicContact CD2-CB 3.77Å; W756-V776 HydrophobicContact CD2-CG2 3.49Å; W756-V776 VanDerWaalsContact CD2-CG2 3.49Å; W756-V776 HydrophobicContact CE3-CB 3.84Å; W756-V776 HydrophobicContact CE3-CG2 4.09Å; W756-V776 HydrophobicContact CG-CB 4.26Å; W756-V776 HydrophobicContact CG-CG2 3.52Å; W756-V776 HydrophobicContact CH2-CB 4.32Å; W756-V776 HydrophobicContact CZ2-CB 4.28Å; W756-V776 HydrophobicContact CZ2-CG2 4.29Å; W756-V776 HydrophobicContact CZ3-CB 4.11Å
757	R	90.2	Very high	88	Confident	49 Å²	49	45.1 Å²	45.1	19%	0.185	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.8	179.9	-63.1	-171.8	176.7	109.6	-12	111.7	K685 D749 S752 K755 V767	K685-R757 PolarHBondContact O-NH1 3.14Å; D749-R757 HydrophobicContact CB-CB 4.33Å; D749-R757 WeakPolarHBondContact CB-O 3.39Å; D749-R757 PolarHBondContact N-O 2.96Å; S752-R757 PolarHBondContact OG-N 3.1Å; K755-R757 WeakPolarHBondContact O-CG 3.43Å; R757-V767 VanDerWaalsContact CA-O 3.3Å; R757-V767 WeakPolarHBondContact CA-O 3.38Å
758	M	91	Very high	87.8	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.025	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139	156.2	59.8	167.9	84	0	0	109.4	I726 L727 M746 V747 S766 V767 I769 L816	I726-M758 HydrophobicContact CD1-CB 4.43Å; I726-M758 HydrophobicContact CD1-CE 4.49Å; L727-M758 HydrophobicContact CD2-CE 4.14Å; L727-M758 HydrophobicContact CD2-SD 4.16Å; M746-M758 HydrophobicContact CB-CB 4.38Å; M746-M758 HydrophobicContact CB-CG 4.46Å; M746-M758 HydrophobicContact CB-SD 3.78Å; M746-M758 HydrophobicContact CE-CB 4.17Å; M746-M758 HydrophobicContact CE-CG 3.61Å; M746-M758 WeakPolarHBondContact CE-O 2.84Å; M746-M758 HydrophobicContact CE-SD 3.8Å; M746-M758 HydrophobicContact CG-SD 4.08Å; V747-M758 CarbonylContact O-C 3.56Å; V747-M758 VanDerWaalsContact O-CA 3.26Å; V747-M758 WeakPolarHBondContact O-CA 3.46Å; M758-S766 CarbonylContact O-C 3.56Å; M758-S766 WeakPolarHBondContact O-CA 3.45Å; M758-S766 PolarHBondContact O-OG 2.84Å; M758-V767 HydrophobicContact CG-CB 3.76Å; M758-V767 HydrophobicContact CG-CG2 4.45Å; M758-V767 PolarHBondContact N-O 2.7Å; M758-V767 PolarHBondContact O-N 2.92Å; M758-V767 HydrophobicContact SD-CB 4.35Å; M758-I769 HydrophobicContact CB-CD1 4.16Å; M758-I769 HydrophobicContact CE-CD1 4.37Å; M758-I769 HydrophobicContact CE-CG2 3.55Å; M758-I769 HydrophobicContact CG-CG2 4.05Å; M758-L816 HydrophobicContact CE-CD1 4.18Å; M758-L816 HydrophobicContact CE-CD2 3.83Å
759	C	90.5	Very high	87.6	Confident	7 Å²	7	49.4 Å²	49.4	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.3	178.7	-57.9	0	0	0	0	109.4	R686 M746 V747 S766	R686-C759 HydrophobicContact CG-CB 4.38Å; M746-C759 CarbonylContact C-O 3.55Å; M746-C759 WeakPolarHBondContact CA-O 3.35Å; V747-C759 WeakPolarHBondContact CG2-O 3.44Å; V747-C759 PolarHBondContact N-O 2.77Å; V747-C759 PolarHBondContact O-N 2.82Å; C759-S766 PolarHBondContact SG-OG 3.01Å
760	C	89.6	Confident	87.4	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	140.1	168.7	-177.1	0	0	0	0	109.1	R686 C729 C732 L745 M746 Y762 C763 H765	R686-C760 PolarHBondContact NH2-O 2.78Å; C729-C760 HydrophobicContact CB-CB 4.31Å; C729-C760 VanDerWaalsContact SG-SG 3.61Å; C732-C760 VanDerWaalsContact SG-SG 3.61Å; L745-C760 WeakPolarHBondContact O-CA 3.38Å; M746-C760 HydrophobicContact SD-CB 3.82Å; C760-Y762 PolarHBondContact O-N 2.83Å; C760-Y762 PolarHBondContact SG-N 3.33Å; C760-Y762 VanDerWaalsContact SG-N 3.38Å; C760-C763 VanDerWaalsContact CB-SG 3.54Å; C760-C763 PolarHBondContact SG-N 2.89Å; C760-C763 VanDerWaalsContact SG-N 3.36Å; C760-H765 HydrophobicContact CB-CB 4.22Å; C760-H765 PolarHBondContact N-O 2.93Å
761	N	87.7	Confident	87.2	Confident	19 Å²	19	56.1 Å²	56.1	10%	0.102	29%	0.285	C	S	.	.	S	Bend	trans	-79.3	0.2	175	71.7	-24.6	0	0	0	113.8	Q711 L721 P744 L745 V747	Q711-N761 HydrophobicContact CG-CB 4.3Å; Q711-N761 PolarHBondContact NE2-O 3.46Å; L721-N761 WeakPolarHBondContact CD1-ND2 3.43Å; P744-N761 WeakPolarHBondContact CA-OD1 3.21Å; L745-N761 PolarHBondContact N-OD1 3.26Å; L745-N761 PolarHBondContact O-N 3.5Å; L745-N761 PolarHBondContact O-OD1 3.34Å; V747-N761 HydrophobicContact CG2-CB 3.94Å
762	Y	85.5	Confident	86.9	Confident	103 Å²	103	55 Å²	55	40%	0.404	29%	0.288	S	S	.	.	S	Bend	trans	-126.6	-62.1	-177.5	-171	-102.7	0	0	0	112.3	M738 P744 C760	M738-Y762 HydrophobicContact SD-CE1 4.32Å; P744-Y762 HydrophobicContact CG-CD1 4.21Å; P744-Y762 HydrophobicContact CG-CG 4.08Å; C760-Y762 PolarHBondContact O-N 2.83Å; C760-Y762 PolarHBondContact SG-N 3.33Å; C760-Y762 VanDerWaalsContact SG-N 3.38Å
763	C	84.9	Confident	86.9	Confident	34 Å²	34	54.5 Å²	54.5	23%	0.23	28%	0.284	C	S	.	.	S	Bend	trans	-85.2	-177.9	179.8	79	0	0	0	0	112.6	R686 C732 C760 H765	R686-C763 PolarHBondContact NH1-O 2.81Å; R686-C763 PolarHBondContact NH2-O 3.21Å; R686-C763 VanDerWaalsContact NH2-O 3.07Å; C732-C763 PolarHBondContact SG-SG 2.93Å; C760-C763 VanDerWaalsContact CB-SG 3.54Å; C760-C763 PolarHBondContact SG-N 2.89Å; C760-C763 VanDerWaalsContact SG-N 3.36Å; C763-H765 VanDerWaalsContact C-N 3.28Å; C763-H765 PolarHBondContact O-N 3.15Å; C763-H765 WeakPolarHBondContact SG-CB 3.3Å; C763-H765 PolarHBondContact SG-N 2.81Å; C763-H765 VanDerWaalsContact SG-N 3.43Å
764	R	82.7	Confident	87	Confident	194 Å²	194	56.9 Å²	56.9	73%	0.732	29%	0.291	S	S	*	.	S	Bend	trans	-86.3	11.6	179.9	-65.2	-175.4	174.9	-174.2	-3.9	114.2
765	H	86.8	Confident	87.3	Confident	65 Å²	65	55.5 Å²	55.5	30%	0.301	28%	0.281	S	S	.	.			trans	-74.6	136.1	-178.6	-167.5	54.8	0	0	0	111.5	L731 C760 C763 V767	L731-H765 HydrophobicContact CD1-CB 3.92Å; L731-H765 VanDerWaalsContact CD1-ND1 3.32Å; L731-H765 WeakPolarHBondContact CD1-ND1 3.45Å; C760-H765 HydrophobicContact CB-CB 4.22Å; C760-H765 PolarHBondContact N-O 2.93Å; C763-H765 VanDerWaalsContact C-N 3.28Å; C763-H765 PolarHBondContact O-N 3.15Å; C763-H765 WeakPolarHBondContact SG-CB 3.3Å; C763-H765 PolarHBondContact SG-N 2.81Å; C763-H765 VanDerWaalsContact SG-N 3.43Å; H765-V767 WeakPolarHBondContact NE2-CG2 3.44Å
766	S	87.5	Confident	87.5	Confident	37 Å²	37	49.8 Å²	49.8	26%	0.259	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	138.4	178	-174.7	0	0	0	0	108.8	M758 C759	M758-S766 CarbonylContact O-C 3.56Å; M758-S766 WeakPolarHBondContact O-CA 3.45Å; M758-S766 PolarHBondContact O-OG 2.84Å; C759-S766 PolarHBondContact SG-OG 3.01Å
767	V	88.3	Confident	87.5	Confident	24 Å²	24	52.6 Å²	52.6	15%	0.145	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.7	-178	-176.6	0	0	0	0	108.5	M746 R757 M758 H765 I769 L820	M746-V767 HydrophobicContact CE-CG2 3.96Å; R757-V767 VanDerWaalsContact CA-O 3.3Å; R757-V767 WeakPolarHBondContact CA-O 3.38Å; M758-V767 HydrophobicContact CG-CB 3.76Å; M758-V767 HydrophobicContact CG-CG2 4.45Å; M758-V767 PolarHBondContact N-O 2.7Å; M758-V767 PolarHBondContact O-N 2.92Å; M758-V767 HydrophobicContact SD-CB 4.35Å; H765-V767 WeakPolarHBondContact NE2-CG2 3.44Å; V767-I769 HydrophobicContact CG1-CG2 4.42Å; V767-L820 HydrophobicContact CG1-CD2 4.4Å
768	P	88.2	Confident	87.6	Confident	97 Å²	97	51 Å²	51	63%	0.63	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	136.7	169.5	29.7	-32.5	0	0	0	109.9	W756	W756-P768 WeakPolarHBondContact O-CA 3.14Å
769	I	89	Confident	87.6	Confident	12 Å²	12	52.6 Å²	52.6	6%	0.062	28%	0.282	C	S	.	.			trans	-134.2	157	179.7	57.9	-179.7	0	0	0	109.3	L748 W756 M758 V767 Q771 L816	L748-I769 HydrophobicContact CD1-CD1 3.91Å; W756-I769 CarbonylContact C-O 3.59Å; W756-I769 HydrophobicContact CB-CG1 3.94Å; W756-I769 VanDerWaalsContact CB-O 3.3Å; W756-I769 WeakPolarHBondContact CB-O 3.43Å; W756-I769 PolarHBondContact O-N 3.1Å; M758-I769 HydrophobicContact CB-CD1 4.16Å; M758-I769 HydrophobicContact CE-CD1 4.37Å; M758-I769 HydrophobicContact CE-CG2 3.55Å; M758-I769 HydrophobicContact CG-CG2 4.05Å; V767-I769 HydrophobicContact CG1-CG2 4.42Å; I769-Q771 VanDerWaalsContact C-N 3.26Å; I769-Q771 PolarHBondContact O-N 2.77Å; I769-L816 HydrophobicContact CG2-CD2 4.37Å
770	F	88.1	Confident	87.5	Confident	29 Å²	29	58.6 Å²	58.6	13%	0.127	31%	0.313	C	S	.	.	S	Bend	trans	44.1	46.2	166.5	-47.1	-56.3	0	0	0	115.2	G772 A773 V776 V791 V793 Y795 L816	F770-G772 PolarHBondContact O-N 2.92Å; F770-A773 HydrophobicContact CB-CB 4Å; F770-A773 VanDerWaalsContact O-CB 3.24Å; F770-A773 WeakPolarHBondContact O-CB 3.38Å; F770-A773 PolarHBondContact O-N 3.48Å; F770-V776 HydrophobicContact CB-CG2 3.98Å; F770-V776 HydrophobicContact CD2-CG1 3.78Å; F770-V776 HydrophobicContact CD2-CG2 3.96Å; F770-V776 HydrophobicContact CE2-CG1 4.11Å; F770-V776 HydrophobicContact CG-CG2 4.33Å; F770-V791 HydrophobicContact CE2-CB 4.26Å; F770-V791 HydrophobicContact CE2-CG1 3.82Å; F770-V791 HydrophobicContact CZ-CB 4.4Å; F770-V791 HydrophobicContact CZ-CG1 4.38Å; F770-V793 HydrophobicContact CB-CG1 3.85Å; F770-V793 HydrophobicContact CD1-CB 4.43Å; F770-V793 HydrophobicContact CD1-CG1 4.02Å; F770-V793 HydrophobicContact CD1-CG2 3.73Å; F770-V793 HydrophobicContact CD2-CG2 3.74Å; F770-V793 HydrophobicContact CE1-CG2 3.71Å; F770-V793 HydrophobicContact CE2-CG2 3.73Å; F770-V793 HydrophobicContact CG-CB 4.49Å; F770-V793 HydrophobicContact CG-CG1 3.89Å; F770-V793 HydrophobicContact CG-CG2 3.73Å; F770-V793 HydrophobicContact CZ-CG2 3.69Å; F770-Y795 WeakPolarHBondContact CA-OH 3.42Å; F770-L816 HydrophobicContact CE1-CD2 4.35Å; F770-L816 HydrophobicContact CE2-CD1 4.16Å; F770-L816 HydrophobicContact CE2-CD2 4.33Å; F770-L816 HydrophobicContact CE2-CG 4.47Å; F770-L816 HydrophobicContact CZ-CD1 3.8Å; F770-L816 HydrophobicContact CZ-CD2 3.74Å; F770-L816 HydrophobicContact CZ-CG 3.71Å
771	Q	83	Confident	87.5	Confident	156 Å²	156	66.1 Å²	66.1	73%	0.729	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	128.4	-176.9	-177.4	174	-10.4	0	0	110.7	I769 A773 Y795	I769-Q771 VanDerWaalsContact C-N 3.26Å; I769-Q771 PolarHBondContact O-N 2.77Å; Q771-A773 VanDerWaalsContact C-N 3.34Å; Q771-Y795 WeakPolarHBondContact O-CE1 3.47Å
772	G	81.9	Confident	87.5	Confident	36 Å²	36	70.5 Å²	70.5	37%	0.371	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	0.3	-178.9	0	0	0	0	0	114.9	P754 F770 P796	P754-G772 PolarHBondContact O-N 2.87Å; P754-G772 VanDerWaalsContact O-N 3.13Å; F770-G772 PolarHBondContact O-N 2.92Å; G772-P796 VanDerWaalsContact O-CD 3.23Å; G772-P796 WeakPolarHBondContact O-CD 3.08Å
773	A	87.1	Confident	87.5	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.008	36%	0.356	C	S	.	.			trans	-67.2	141.6	169.5	0	0	0	0	0	111.1	W756 F770 Q771 V776 V793 V794 Y795	W756-A773 PolarHBondContact NE1-O 2.67Å; F770-A773 HydrophobicContact CB-CB 4Å; F770-A773 VanDerWaalsContact O-CB 3.24Å; F770-A773 WeakPolarHBondContact O-CB 3.38Å; F770-A773 PolarHBondContact O-N 3.48Å; Q771-A773 VanDerWaalsContact C-N 3.34Å; A773-V776 HydrophobicContact CB-CG2 3.99Å; A773-V793 HydrophobicContact CB-CG1 3.56Å; A773-V794 CarbonylContact C-O 3.59Å; A773-V794 WeakPolarHBondContact CA-O 3.3Å; A773-Y795 HydrophobicContact CB-CD1 4.18Å; A773-Y795 HydrophobicContact CB-CE1 3.97Å; A773-Y795 HydrophobicContact CB-CE2 4.42Å
774	V	86.9	Confident	87.4	Confident	87 Å²	87	70.9 Å²	70.9	53%	0.527	39%	0.386	S	S	.	.	S	Bend	trans	-74.2	-47	174.9	-172.5	0	0	0	0	110.2	V794 P796	V774-V794 PolarHBondContact N-O 3.2Å; V774-P796 HydrophobicContact CG2-CB 3.92Å; V774-P796 HydrophobicContact CG2-CG 4.13Å
775	T	87.9	Confident	87.5	Confident	60 Å²	60	67.4 Å²	67.4	37%	0.368	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.9	179.7	63.1	0	0	0	0	110.8	V793 V794	T775-V793 WeakPolarHBondContact O-CA 3.28Å; T775-V794 PolarHBondContact N-O 3.49Å; T775-V794 PolarHBondContact O-N 3.48Å; T775-V794 VanDerWaalsContact OG1-CB 3.27Å; T775-V794 WeakPolarHBondContact OG1-CB 3.37Å; T775-V794 VanDerWaalsContact OG1-CG2 3.25Å; T775-V794 WeakPolarHBondContact OG1-CG2 3.38Å
776	V	90.5	Very high	87.3	Confident	8 Å²	8	65.9 Å²	65.9	5%	0.048	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	123.4	174	179.2	0	0	0	0	107	L748 W756 F770 A773 V791 S792 V793	L748-V776 HydrophobicContact CD1-CB 4.39Å; L748-V776 HydrophobicContact CD1-CG1 3.72Å; L748-V776 HydrophobicContact CD2-CB 4.43Å; L748-V776 HydrophobicContact CD2-CG1 3.96Å; L748-V776 WeakPolarHBondContact CD2-O 3.48Å; W756-V776 HydrophobicContact CB-CG2 4.18Å; W756-V776 HydrophobicContact CD2-CB 3.77Å; W756-V776 HydrophobicContact CD2-CG2 3.49Å; W756-V776 VanDerWaalsContact CD2-CG2 3.49Å; W756-V776 HydrophobicContact CE3-CB 3.84Å; W756-V776 HydrophobicContact CE3-CG2 4.09Å; W756-V776 HydrophobicContact CG-CB 4.26Å; W756-V776 HydrophobicContact CG-CG2 3.52Å; W756-V776 HydrophobicContact CH2-CB 4.32Å; W756-V776 HydrophobicContact CZ2-CB 4.28Å; W756-V776 HydrophobicContact CZ2-CG2 4.29Å; W756-V776 HydrophobicContact CZ3-CB 4.11Å; F770-V776 HydrophobicContact CB-CG2 3.98Å; F770-V776 HydrophobicContact CD2-CG1 3.78Å; F770-V776 HydrophobicContact CD2-CG2 3.96Å; F770-V776 HydrophobicContact CE2-CG1 4.11Å; F770-V776 HydrophobicContact CG-CG2 4.33Å; A773-V776 HydrophobicContact CB-CG2 3.99Å; V776-V791 HydrophobicContact CG1-CG1 3.38Å; V776-S792 WeakPolarHBondContact CA-O 3.41Å; V776-V793 HydrophobicContact CG2-CG1 4.27Å
777	V	91.1	Very high	87.1	Confident	81 Å²	81	68.7 Å²	68.7	49%	0.491	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.4	-176.5	-177.9	0	0	0	0	109.7	V791 S792	V777-V791 CarbonylContact O-C 3.43Å; V777-V791 WeakPolarHBondContact O-CA 3.45Å; V777-V791 WeakPolarHBondContact O-CG1 3.4Å; V777-S792 PolarHBondContact N-O 2.97Å; V777-S792 PolarHBondContact O-N 3.27Å
778	V	91.9	Very high	87.1	Confident	15 Å²	15	68 Å²	68	9%	0.091	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	128.6	171.8	-175.2	0	0	0	0	108.9	I726 L748 K789	I726-V778 HydrophobicContact CD1-CG2 4.2Å; I726-V778 HydrophobicContact CG1-CG1 4.45Å; I726-V778 HydrophobicContact CG1-CG2 3.84Å; L748-V778 HydrophobicContact CB-CG2 3.76Å; L748-V778 HydrophobicContact CD2-CG2 3.88Å; L748-V778 HydrophobicContact CG-CG2 4.45Å; V778-K789 HydrophobicContact CG1-CB 3.77Å; V778-K789 HydrophobicContact CG1-CD 3.6Å; V778-K789 HydrophobicContact CG1-CG 4.32Å
779	T	91.4	Very high	87.2	Confident	38 Å²	38	65 Å²	65	23%	0.233	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	162.3	178.7	75.4	0	0	0	0	110.9	K781 K789 V790	T779-K781 PolarHBondContact O-N 3.14Å; T779-K781 PolarHBondContact OG1-N 3.03Å; T779-K789 WeakPolarHBondContact O-CD 3.43Å; T779-V790 WeakPolarHBondContact CB-O 3.25Å; T779-V790 PolarHBondContact N-O 2.87Å; T779-V790 WeakPolarHBondContact OG1-CB 3.2Å; T779-V790 PolarHBondContact OG1-O 2.9Å
780	D	87.4	Confident	87.2	Confident	133 Å²	133	65.8 Å²	65.8	71%	0.711	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	-3	176.9	-67.6	-42.2	0	0	0	114.5	K789	D780-K789 IonicContact OD1-NZ 2.77Å; D780-K789 PolarHBondContact OD1-NZ 3.44Å
781	K	89.6	Confident	87.4	Confident	159 Å²	159	64.5 Å²	64.5	69%	0.691	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	136.1	174.4	-65.4	-179.6	-178.7	177	0	109.7	T779 K789 V790	T779-K781 PolarHBondContact O-N 3.14Å; T779-K781 PolarHBondContact OG1-N 3.03Å; K781-K789 CarbonylContact O-C 3.57Å; K781-K789 WeakPolarHBondContact O-CA 3.3Å; K781-V790 HydrophobicContact CB-CB 4.09Å; K781-V790 HydrophobicContact CB-CG2 4Å; K781-V790 WeakPolarHBondContact O-CG2 3.46Å; K781-V790 PolarHBondContact O-N 3.26Å
782	I	87.2	Confident	87.8	Confident	111 Å²	111	58.2 Å²	58.2	57%	0.569	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.3	179	-60.5	175	0	0	0	109.2	S784	I782-S784 PolarHBondContact O-N 2.8Å
783	C	85.6	Confident	88.2	Confident	22 Å²	22	56.9 Å²	56.9	15%	0.149	33%	0.334	C	S	.	.			trans	-68.6	124.6	173.5	177.8	0	0	0	0	110.6	T785 C786 S787 A788	C783-T785 PolarHBondContact O-N 2.79Å; C783-C786 VanDerWaalsContact SG-SG 3.64Å; C783-S787 WeakPolarHBondContact O-CA 3.33Å; C783-S787 PolarHBondContact O-N 3.4Å; C783-A788 PolarHBondContact N-O 3.36Å
784	S	84.7	Confident	88.2	Confident	123 Å²	123	58.3 Å²	58.3	86%	0.86	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.7	-180	52.5	0	0	0	0	113.9	I782	I782-S784 PolarHBondContact O-N 2.8Å
785	T	84.2	Confident	88.1	Confident	121 Å²	121	59.7 Å²	59.7	74%	0.742	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-39.1	-177.4	-45.1	0	0	0	0	113.5	C783	C783-T785 PolarHBondContact O-N 2.79Å
786	C	82.5	Confident	87.7	Confident	34 Å²	34	60.6 Å²	60.6	23%	0.23	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-0.6	-170.9	72.8	0	0	0	0	115	C783 A788 K817	C783-C786 VanDerWaalsContact SG-SG 3.64Å; C786-A788 PolarHBondContact O-N 3.32Å; C786-A788 VanDerWaalsContact SG-CB 3.54Å; C786-K817 HydrophobicContact CB-CD 3.6Å
787	S	82.8	Confident	86.7	Confident	96 Å²	96	64.4 Å²	64.4	67%	0.671	38%	0.379	S	S	*	.			trans	58.7	14.6	-178.3	-48.2	0	0	0	0	115	C783	C783-S787 WeakPolarHBondContact O-CA 3.33Å; C783-S787 PolarHBondContact O-N 3.4Å
788	A	88.2	Confident	84.9	Confident	9 Å²	9	66.7 Å²	66.7	7%	0.074	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-78.3	148.8	172.6	0	0	0	0	0	111	I726 L727 C783 C786	I726-A788 CarbonylContact O-C 3.59Å; I726-A788 VanDerWaalsContact O-CA 3.23Å; I726-A788 WeakPolarHBondContact O-CA 3.39Å; L727-A788 HydrophobicContact CB-CB 3.91Å; C783-A788 PolarHBondContact N-O 3.36Å; C786-A788 PolarHBondContact O-N 3.32Å; C786-A788 VanDerWaalsContact SG-CB 3.54Å
789	K	90.4	Very high	82.4	Confident	35 Å²	35	72 Å²	72	15%	0.152	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	139.2	169.8	-71.7	-161.6	170.3	-162.7	0	110.6	I722 G725 I726 V778 T779 D780 K781	I722-K789 WeakPolarHBondContact O-CE 3.31Å; I722-K789 PolarHBondContact O-NZ 3.47Å; G725-K789 VanDerWaalsContact O-CD 3.27Å; G725-K789 WeakPolarHBondContact O-CD 3.3Å; G725-K789 WeakPolarHBondContact O-CG 2.98Å; I726-K789 PolarHBondContact O-N 3.38Å; V778-K789 HydrophobicContact CG1-CB 3.77Å; V778-K789 HydrophobicContact CG1-CD 3.6Å; V778-K789 HydrophobicContact CG1-CG 4.32Å; T779-K789 WeakPolarHBondContact O-CD 3.43Å; D780-K789 IonicContact OD1-NZ 2.77Å; D780-K789 PolarHBondContact OD1-NZ 3.44Å; K781-K789 CarbonylContact O-C 3.57Å; K781-K789 WeakPolarHBondContact O-CA 3.3Å
790	V	89.9	Confident	79.7	Confident	28 Å²	28	77.4 Å²	77.4	17%	0.17	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.2	174.4	175.9	0	0	0	0	108.6	T779 K781 A813	T779-V790 WeakPolarHBondContact CB-O 3.25Å; T779-V790 PolarHBondContact N-O 2.87Å; T779-V790 WeakPolarHBondContact OG1-CB 3.2Å; T779-V790 PolarHBondContact OG1-O 2.9Å; K781-V790 HydrophobicContact CB-CB 4.09Å; K781-V790 HydrophobicContact CB-CG2 4Å; K781-V790 WeakPolarHBondContact O-CG2 3.46Å; K781-V790 PolarHBondContact O-N 3.26Å; V790-A813 HydrophobicContact CG1-CB 4.15Å
791	V	90.6	Very high	77	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.006	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.9	179.1	-175.4	0	0	0	0	108.6	I726 F770 V776 V777 V793 L816	I726-V791 HydrophobicContact CD1-CG2 4.01Å; I726-V791 HydrophobicContact CG1-CG2 4.27Å; I726-V791 HydrophobicContact CG2-CG2 4.09Å; F770-V791 HydrophobicContact CE2-CB 4.26Å; F770-V791 HydrophobicContact CE2-CG1 3.82Å; F770-V791 HydrophobicContact CZ-CB 4.4Å; F770-V791 HydrophobicContact CZ-CG1 4.38Å; V776-V791 HydrophobicContact CG1-CG1 3.38Å; V777-V791 CarbonylContact O-C 3.43Å; V777-V791 WeakPolarHBondContact O-CA 3.45Å; V777-V791 WeakPolarHBondContact O-CG1 3.4Å; V791-V793 HydrophobicContact CG1-CG2 3.99Å; V791-L816 HydrophobicContact CB-CD1 4.32Å; V791-L816 HydrophobicContact CG2-CD1 3.7Å
792	S	91.5	Very high	74.3	Confident	25 Å²	25	77.1 Å²	77.1	18%	0.175	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.8	170.5	-176.7	0	0	0	0	109.2	V776 V777	V776-S792 WeakPolarHBondContact CA-O 3.41Å; V777-S792 PolarHBondContact N-O 2.97Å; V777-S792 PolarHBondContact O-N 3.27Å
793	V	90.3	Very high	71.5	Confident	8 Å²	8	79.5 Å²	79.5	5%	0.048	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	121.3	-174.1	-175.2	0	0	0	0	108.7	F770 A773 T775 V776 V791 Y795	F770-V793 HydrophobicContact CB-CG1 3.85Å; F770-V793 HydrophobicContact CD1-CB 4.43Å; F770-V793 HydrophobicContact CD1-CG1 4.02Å; F770-V793 HydrophobicContact CD1-CG2 3.73Å; F770-V793 HydrophobicContact CD2-CG2 3.74Å; F770-V793 HydrophobicContact CE1-CG2 3.71Å; F770-V793 HydrophobicContact CE2-CG2 3.73Å; F770-V793 HydrophobicContact CG-CB 4.49Å; F770-V793 HydrophobicContact CG-CG1 3.89Å; F770-V793 HydrophobicContact CG-CG2 3.73Å; F770-V793 HydrophobicContact CZ-CG2 3.69Å; A773-V793 HydrophobicContact CB-CG1 3.56Å; T775-V793 WeakPolarHBondContact O-CA 3.28Å; V776-V793 HydrophobicContact CG2-CG1 4.27Å; V791-V793 HydrophobicContact CG1-CG2 3.99Å; V793-Y795 HydrophobicContact CB-CE2 4.41Å; V793-Y795 HydrophobicContact CG1-CD2 3.88Å; V793-Y795 HydrophobicContact CG1-CE2 3.38Å
794	V	88.4	Confident	68.8	Low	31 Å²	31	86 Å²	86	19%	0.188	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.3	176.9	-176	0	0	0	0	108.9	A773 V774 T775 Y809	A773-V794 CarbonylContact C-O 3.59Å; A773-V794 WeakPolarHBondContact CA-O 3.3Å; V774-V794 PolarHBondContact N-O 3.2Å; T775-V794 PolarHBondContact N-O 3.49Å; T775-V794 PolarHBondContact O-N 3.48Å; T775-V794 VanDerWaalsContact OG1-CB 3.27Å; T775-V794 WeakPolarHBondContact OG1-CB 3.37Å; T775-V794 VanDerWaalsContact OG1-CG2 3.25Å; T775-V794 WeakPolarHBondContact OG1-CG2 3.38Å; V794-Y809 HydrophobicContact CG1-CD1 4.3Å
795	Y	84.5	Confident	65.9	Low	115 Å²	115	85.9 Å²	85.9	45%	0.451	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-96.4	150	171.5	-76	-87.4	0	0	0	110.6	F770 Q771 A773 V793 A797	F770-Y795 WeakPolarHBondContact CA-OH 3.42Å; Q771-Y795 WeakPolarHBondContact O-CE1 3.47Å; A773-Y795 HydrophobicContact CB-CD1 4.18Å; A773-Y795 HydrophobicContact CB-CE1 3.97Å; A773-Y795 HydrophobicContact CB-CE2 4.42Å; V793-Y795 HydrophobicContact CB-CE2 4.41Å; V793-Y795 HydrophobicContact CG1-CD2 3.88Å; V793-Y795 HydrophobicContact CG1-CE2 3.38Å; Y795-A797 PolarHBondContact O-N 3.46Å
796	P	80.2	Confident	63.3	Low	79 Å²	79	84.9 Å²	84.9	51%	0.513	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-63.8	136	172.1	26.4	-28.8	0	0	0	109	G772 V774 V798	G772-P796 VanDerWaalsContact O-CD 3.23Å; G772-P796 WeakPolarHBondContact O-CD 3.08Å; V774-P796 HydrophobicContact CG2-CB 3.92Å; V774-P796 HydrophobicContact CG2-CG 4.13Å; P796-V798 PolarHBondContact O-N 2.95Å
797	A	69.3	Low	60.9	Low	89 Å²	89	88.4 Å²	88.4	74%	0.736	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-62.3	130.6	174.9	0	0	0	0	0	109.7	Y795 C799	Y795-A797 PolarHBondContact O-N 3.46Å; A797-C799 PolarHBondContact O-N 2.98Å
798	V	53.1	Low	58.3	Low	129 Å²	129	90.8 Å²	90.8	78%	0.782	53%	0.53	S	S	*	.			trans	-72.5	107.9	168.5	-176.6	0	0	0	0	106.6	P796 I800	P796-V798 PolarHBondContact O-N 2.95Å; V798-I800 VanDerWaalsContact C-N 3.31Å; V798-I800 HydrophobicContact CG1-CG1 4.26Å; V798-I800 PolarHBondContact O-N 3.01Å
799	C	38.5	Very low	55.8	Low	127 Å²	127	99.8 Å²	99.8	86%	0.858	56%	0.563	S	S	*	*			trans	-63.9	92.5	168.9	-91.4	0	0	0	0	109.3	A797	A797-C799 PolarHBondContact O-N 2.98Å
800	I	35.1	Very low	53.4	Low	151 Å²	151	104.7 Å²	104.7	77%	0.774	59%	0.591	S	S	*	*			trans	-83.5	111.7	156.1	-59.8	175.9	0	0	0	105.2	V798 F802	V798-I800 VanDerWaalsContact C-N 3.31Å; V798-I800 HydrophobicContact CG1-CG1 4.26Å; V798-I800 PolarHBondContact O-N 3.01Å; I800-F802 PolarHBondContact O-N 2.88Å; I800-F802 VanDerWaalsContact O-N 3.14Å
801	A	31.3	Very low	50.7	Low	86 Å²	86	110.7 Å²	110.7	71%	0.711	62%	0.617	S	S	*	*			trans	-61	113.1	178.9	0	0	0	0	0	110.5
802	F	32.2	Very low	48.4	Very low	199 Å²	199	116.8 Å²	116.8	87%	0.873	64%	0.643	S	S	*	*				-165.2	150.1	127.2	-104.7	-77.3	0	0	0	109.8	I800	I800-F802 PolarHBondContact O-N 2.88Å; I800-F802 VanDerWaalsContact O-N 3.14Å
803	Q	28.9	Very low	46	Very low	162 Å²	162	119.3 Å²	119.3	76%	0.757	67%	0.666	S	S	*	*			trans	-58.8	149.5	-158.6	-84.5	158.9	-63.1	0	0	118.7
804	L	27.5	Very low	43.8	Very low	159 Å²	159	122.1 Å²	122.1	83%	0.832	68%	0.678	S	S	*	*			trans	81.7	124.5	149.4	-70.1	157	0	0	0	120
805	C	25.6	Very low	41.6	Very low	119 Å²	119	123.9 Å²	123.9	80%	0.804	69%	0.69	S	S	*	*			trans	85.1	124.5	157.6	-95.8	0	0	0	0	121.1
806	S	29.2	Very low	40	Very low	101 Å²	101	120 Å²	120	71%	0.706	68%	0.677	S	S	*	*			trans	73.4	122.6	155.5	44.1	0	0	0	0	119.8	L808	S806-L808 PolarHBondContact O-N 3.41Å
807	S	31.1	Very low	38.3	Very low	108 Å²	108	121.7 Å²	121.7	76%	0.755	68%	0.676	S	S	*	*			trans	-37.7	117.5	167.4	49.5	0	0	0	0	114.6
808	L	29	Very low	37	Very low	146 Å²	146	123.1 Å²	123.1	76%	0.764	68%	0.68	S	S	*	*			trans	-133.4	94.7	167	-90.9	154.1	0	0	0	109.2	S806	S806-L808 PolarHBondContact O-N 3.41Å
809	Y	36.2	Very low	36.5	Very low	197 Å²	197	124.4 Å²	124.4	77%	0.773	68%	0.675	S	S	*	*			trans	-79.3	121.4	158.9	-70.4	-88.6	0	0	0	107.4	V794 E811	V794-Y809 HydrophobicContact CG1-CD1 4.3Å; Y809-E811 PolarHBondContact O-N 3.23Å
810	L	38.2	Very low	36.8	Very low	139 Å²	139	123.2 Å²	123.2	73%	0.728	66%	0.659	S	S	*	*			trans	-81.6	94.5	170.6	-83.4	161.1	0	0	0	108.9	K812	L810-K812 PolarHBondContact O-N 2.78Å
811	E	33.4	Very low	36.9	Very low	153 Å²	153	125.9 Å²	125.9	72%	0.715	68%	0.675	S	S	*	*			trans	-72.1	108.5	160.5	-83.6	-168.2	146.5	0	0	108.7	Y809	Y809-E811 PolarHBondContact O-N 3.23Å
812	K	43.9	Very low	37.1	Very low	130 Å²	130	127.9 Å²	127.9	57%	0.565	67%	0.674	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.9	109.3	163	-82.6	-171.3	175.5	-175.5	0	109.1	L810 E814	L810-K812 PolarHBondContact O-N 2.78Å; K812-E814 HydrophobicContact CB-CG 4.41Å; K812-E814 PolarHBondContact O-N 3.12Å
813	A	39.3	Very low	37.4	Very low	78 Å²	78	124.2 Å²	124.2	65%	0.645	66%	0.663	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.1	98.4	163.6	0	0	0	0	0	108.6	V790	V790-A813 HydrophobicContact CG1-CB 4.15Å
814	E	44.3	Very low	37.9	Very low	66 Å²	66	122.1 Å²	122.1	31%	0.308	66%	0.658	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.9	127.4	176.8	-75.1	-175.9	-177.9	0	0	110.7	K812 L816 K819	K812-E814 HydrophobicContact CB-CG 4.41Å; K812-E814 PolarHBondContact O-N 3.12Å; E814-L816 PolarHBondContact O-N 3.35Å; E814-K819 IonicContact OE1-NZ 2.9Å; E814-K819 IonicContact OE2-NZ 3.83Å; E814-K819 PolarHBondContact OE2-NZ 2.86Å
815	P	42.6	Very low	38.5	Very low	69 Å²	69	119.9 Å²	119.9	45%	0.448	65%	0.648	S	S	.	*			trans	-70.1	114.3	167	26	-29.3	0	0	0	110.1	K817 C818	P815-K817 PolarHBondContact O-N 3.36Å; P815-C818 PolarHBondContact O-N 3.36Å
816	L	50.2	Low	39.3	Very low	32 Å²	32	119.9 Å²	119.9	17%	0.168	64%	0.638	C	S	.	*	G	3₁₀ helix	trans	-52.6	-10.3	-174.7	-98.9	147.2	0	0	0	116.7	I726 M758 I769 F770 V791 E814	I726-L816 HydrophobicContact CG2-CD1 4.01Å; M758-L816 HydrophobicContact CE-CD1 4.18Å; M758-L816 HydrophobicContact CE-CD2 3.83Å; I769-L816 HydrophobicContact CG2-CD2 4.37Å; F770-L816 HydrophobicContact CE1-CD2 4.35Å; F770-L816 HydrophobicContact CE2-CD1 4.16Å; F770-L816 HydrophobicContact CE2-CD2 4.33Å; F770-L816 HydrophobicContact CE2-CG 4.47Å; F770-L816 HydrophobicContact CZ-CD1 3.8Å; F770-L816 HydrophobicContact CZ-CD2 3.74Å; F770-L816 HydrophobicContact CZ-CG 3.71Å; V791-L816 HydrophobicContact CB-CD1 4.32Å; V791-L816 HydrophobicContact CG2-CD1 3.7Å; E814-L816 PolarHBondContact O-N 3.35Å
817	K	45.8	Very low	40	Very low	116 Å²	116	121.2 Å²	121.2	50%	0.504	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-78.8	-14.5	-176.3	-147	178.6	179.4	-170.6	0	113.7	C786 P815	C786-K817 HydrophobicContact CB-CD 3.6Å; P815-K817 PolarHBondContact O-N 3.36Å
818	C	41.2	Very low	40.6	Very low	119 Å²	119	122.1 Å²	122.1	80%	0.804	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-92.6	11.2	-176.5	-77.2	0	0	0	0	116	P815	P815-C818 PolarHBondContact O-N 3.36Å
819	K	44	Very low	41.5	Very low	155 Å²	155	120.3 Å²	120.3	67%	0.674	61%	0.614	S	S	*	*	S	Bend	trans	-131.4	5.5	-179.6	-88.2	179.9	179.7	158.5	0	115.4	E814	E814-K819 IonicContact OE1-NZ 2.9Å; E814-K819 IonicContact OE2-NZ 3.83Å; E814-K819 PolarHBondContact OE2-NZ 2.86Å
820	L	43.2	Very low	41.9	Very low	102 Å²	102	113.9 Å²	113.9	53%	0.534	60%	0.6	S	S	.	*			trans	-122.8	22.2	-173.2	-81.1	168.5	0	0	0	113.9	V767	V767-L820 HydrophobicContact CG1-CD2 4.4Å
821	D	37.2	Very low	42.3	Very low	208 Å²	208	111.6 Å²	111.6	100%	1.112	59%	0.589	S	S	*	*			trans	-98.9	0	164.4	-75.1	-22.2	0	0	0	110.4

Retrieved 821 of 821 residues in 639.7 ms (Link to these results)

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