A0A077ZDZ4_TRITR Loading...

Homoserine dh and ACT 7 and NAD binding 3 and AA kinase domain containing protein

Bifunctional aspartate kinase and homoserine dehydrogenase that catalyzes the first and the third steps toward the synthesis of lysine, methionine and threonine from aspartate.

AlphaFold DB , UniProt , Accession A0A077ZDZ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 820 aa.

						>A0A077ZDZ4_TRITR|A0A077ZDZ4
MRVLKFGGTSVANAERFLRVADILESNARQGQVATVLSAPAKITNHLVAMIEKTISGQDALPNISDAERIFAELLTGLTAAQPGFPLAQLKTFVDQEFAQIKHVLHGISLLGQCPDSINAALICRGEKMSIAIMAGVLEARGHNVTVIDPVEKLLAVGHYLESTVDIAESTRRIAASRIPADHMVLMAGFTAGNEKGELVVLGRNGSDYSAAVLAACLRADCCEIWTDVDGVYTCDPRQVPDARLLKSMSYQEAMELSYFGAKVLHPRTITPIAQFQIPCLIKNTGNPQAPGTLIGASRDEDELPVKGISNLNNMAMFSVSGPGMKGMVGMAARVFAAMSRARISVVLITQSSSEYSISFCVPQSDCVRAERAMQEEFYLELKEGLLEPLAVTERLAIISVVGDGMRTLRGISAKFFAALARANINIVAIAQGSSERSISVVVNNDDATTGVRVTHQMLFNTDQVIEVFVIGVGGVGGALLEQLKRQQSWLKNKHIDLRVCGVANSKALLTNVHGLNLENWQEELAQAKEPFNLGRLIRLVKEYHLLNPVIVDCTSSQAVADQYADFLREGFHVVTPNKKANTSSMDYYHLLRHAAEKSRRKFLYDTNVGAGLPVIENLQNLLNAGDELMKFSGILSGSLSYIFGKLDEGMSFSEATTLAREMGYTEPDPRDDLSGMDVARKLLILARETGRELELADIEIEPVLPAEFNAEGDVAAFMANLSQLDDLFAARVAKARDEGKVLRYVGNIDEDGACRVKIAEVDGNDPLFKVKNGENALAFYSHYYQPLPLVLRGYGAGNDVTAAGVFADLLRTLSWKLGV
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	89.7	Confident	92.5	Very high	61 Å²	61	21.5 Å²	21.5	30%	0.3	12%	0.115	S	C	.	.				0	140.9	0	179.2	-177.9	-68.5	0	0	109.7	Q32 L218 A220 D221	M1-Q32 WeakPolarHBondContact CA-O 3.47Å; M1-Q32 HydrophobicContact CE-CB 4.11Å; M1-Q32 HydrophobicContact CE-CG 3.98Å; M1-Q32 WeakPolarHBondContact CG-O 3.27Å; M1-L218 HydrophobicContact SD-CB 3.92Å; M1-L218 HydrophobicContact SD-CD1 3.67Å; M1-L218 HydrophobicContact SD-CD2 4.34Å; M1-L218 HydrophobicContact SD-CG 4.19Å; M1-A220 CarbonylContact O-C 3.54Å; M1-A220 WeakPolarHBondContact O-CA 3.49Å; M1-D221 PolarHBondContact N-OD2 3.13Å; M1-D221 PolarHBondContact O-N 2.76Å
2	R	93.2	Very high	92.3	Very high	80 Å²	80	21.9 Å²	21.9	30%	0.302	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	142.8	175.4	-63.6	-173	-178.6	161	7.8	111.4	L4 N27 Q30 Q32 A34 E224	R2-L4 HydrophobicContact CB-CD1 3.61Å; R2-N27 PolarHBondContact NH1-OD1 3.45Å; R2-Q30 VanDerWaalsContact CZ-OE1 3.22Å; R2-Q32 PolarHBondContact N-O 3.29Å; R2-A34 PolarHBondContact O-N 2.63Å; R2-E224 WeakPolarHBondContact CD-OE1 3.38Å; R2-E224 IonicContact NH1-OE1 2.97Å
3	V	96.4	Very high	92.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.9	170.2	177.4	0	0	0	0	109.1	A34 V36 A211 L214 A215 L218 A220 C222 C223 E224	V3-A34 CarbonylContact C-O 3.55Å; V3-A34 VanDerWaalsContact CA-O 3.24Å; V3-A34 WeakPolarHBondContact CA-O 3.36Å; V3-A34 HydrophobicContact CG2-CB 4.14Å; V3-V36 HydrophobicContact CG1-CG2 4.45Å; V3-A211 HydrophobicContact CG1-CB 4.18Å; V3-L214 HydrophobicContact CG1-CD2 4.32Å; V3-L214 HydrophobicContact CG2-CG 4.44Å; V3-A215 HydrophobicContact CB-CB 4.03Å; V3-A215 HydrophobicContact CG1-CB 4.48Å; V3-A215 HydrophobicContact CG2-CB 3.88Å; V3-L218 HydrophobicContact CG2-CD1 4.43Å; V3-A220 HydrophobicContact CG2-CB 3.77Å; V3-C222 PolarHBondContact N-O 3.02Å; V3-C223 CarbonylContact O-C 3.58Å; V3-C223 WeakPolarHBondContact O-CA 3.49Å; V3-E224 PolarHBondContact O-N 3.27Å
4	L	96.9	Very high	92.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.6	-178.9	-78.2	62	0	0	0	109.1	R2 F6 I23 L24 N27 V33 A34 T35 V36 E224	R2-L4 HydrophobicContact CB-CD1 3.61Å; L4-F6 HydrophobicContact CB-CE2 3.78Å; L4-F6 HydrophobicContact CB-CZ 4.28Å; L4-F6 HydrophobicContact CD2-CE2 4.31Å; L4-F6 HydrophobicContact CD2-CZ 4.14Å; L4-I23 HydrophobicContact CD2-CG2 4.06Å; L4-L24 HydrophobicContact CB-CD2 4.42Å; L4-L24 HydrophobicContact CD2-CD2 3.93Å; L4-N27 HydrophobicContact CD2-CB 4.32Å; L4-V33 HydrophobicContact CD1-CG1 4.01Å; L4-V33 HydrophobicContact CD2-CG1 4.31Å; L4-A34 PolarHBondContact N-O 2.87Å; L4-T35 CarbonylContact O-C 3.54Å; L4-T35 WeakPolarHBondContact O-CA 3.27Å; L4-V36 PolarHBondContact O-N 3.26Å; L4-E224 CarbonylContact C-O 3.56Å; L4-E224 WeakPolarHBondContact CA-O 3.5Å; L4-E224 HydrophobicContact CD1-CB 4.42Å; L4-E224 HydrophobicContact CD1-CG 4.39Å; L4-E224 HydrophobicContact CG-CB 4.1Å; L4-E224 HydrophobicContact CG-CG 4.49Å
5	K	95.7	Very high	92.5	Very high	15 Å²	15	30.7 Å²	30.7	7%	0.065	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133	173.4	-175.3	-94.3	171.9	169.3	0	110.2	G7 V36 S38 D208 A211 E224 I225 W226	K5-G7 VanDerWaalsContact NZ-CA 3.3Å; K5-V36 VanDerWaalsContact CA-O 3.3Å; K5-V36 WeakPolarHBondContact CA-O 3.49Å; K5-V36 HydrophobicContact CB-CB 4.4Å; K5-V36 HydrophobicContact CG-CB 4.24Å; K5-V36 HydrophobicContact CG-CG1 4.41Å; K5-S38 WeakPolarHBondContact CE-OG 3.4Å; K5-D208 WeakPolarHBondContact CD-OD1 3.07Å; K5-D208 WeakPolarHBondContact CE-OD1 3.25Å; K5-D208 IonicContact NZ-OD1 2.69Å; K5-D208 PolarHBondContact NZ-OD1 3Å; K5-A211 HydrophobicContact CB-CB 3.58Å; K5-A211 HydrophobicContact CG-CB 3.96Å; K5-E224 PolarHBondContact N-O 3.3Å; K5-I225 HydrophobicContact CB-CD1 3.68Å; K5-I225 HydrophobicContact CD-CD1 4.37Å; K5-I225 HydrophobicContact CD-CG2 4.2Å; K5-I225 HydrophobicContact CG-CD1 4.33Å; K5-W226 WeakPolarHBondContact O-CA 3.28Å; K5-W226 VanDerWaalsContact O-CB 3.29Å; K5-W226 WeakPolarHBondContact O-CB 3.37Å; K5-W226 PolarHBondContact O-N 3.26Å
6	F	95	Very high	92.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123	173.8	-63.4	-86.8	0	0	0	110.4	L4 V11 V20 I23 L24 T35 V36 L37 S38 W226	L4-F6 HydrophobicContact CB-CE2 3.78Å; L4-F6 HydrophobicContact CB-CZ 4.28Å; L4-F6 HydrophobicContact CD2-CE2 4.31Å; L4-F6 HydrophobicContact CD2-CZ 4.14Å; F6-V11 HydrophobicContact CB-CG1 4.35Å; F6-V20 HydrophobicContact CB-CG2 4.34Å; F6-V20 HydrophobicContact CD1-CB 4.25Å; F6-V20 HydrophobicContact CD1-CG1 3.88Å; F6-V20 HydrophobicContact CD1-CG2 3.49Å; F6-V20 VanDerWaalsContact CD1-CG2 3.49Å; F6-V20 HydrophobicContact CD2-CG1 3.59Å; F6-V20 HydrophobicContact CE1-CB 4.29Å; F6-V20 HydrophobicContact CE1-CG1 3.91Å; F6-V20 HydrophobicContact CE1-CG2 3.87Å; F6-V20 HydrophobicContact CE2-CG1 3.64Å; F6-V20 HydrophobicContact CG-CB 4.47Å; F6-V20 HydrophobicContact CG-CG1 3.71Å; F6-V20 HydrophobicContact CG-CG2 3.89Å; F6-V20 HydrophobicContact CZ-CG1 3.79Å; F6-I23 HydrophobicContact CE1-CB 4.5Å; F6-I23 HydrophobicContact CE1-CD1 4.03Å; F6-I23 HydrophobicContact CE1-CG2 4.26Å; F6-I23 HydrophobicContact CZ-CB 4.25Å; F6-I23 HydrophobicContact CZ-CG2 3.83Å; F6-L24 HydrophobicContact CE2-CD2 3.78Å; F6-L24 HydrophobicContact CE2-CG 4.32Å; F6-L24 HydrophobicContact CZ-CD2 4.28Å; F6-T35 HydrophobicContact CD2-CG2 3.73Å; F6-T35 HydrophobicContact CE2-CG2 3.84Å; F6-V36 PolarHBondContact N-O 3.27Å; F6-L37 HydrophobicContact CB-CD2 3.8Å; F6-L37 HydrophobicContact CD2-CD2 3.84Å; F6-L37 HydrophobicContact CG-CD2 4.21Å; F6-S38 PolarHBondContact O-N 3.4Å; F6-S38 VanDerWaalsContact O-N 3.15Å; F6-W226 HydrophobicContact CD1-CB 3.43Å; F6-W226 VanDerWaalsContact CD1-CB 3.43Å; F6-W226 AromaticContact CD1-CG 3.85Å; F6-W226 HydrophobicContact CD1-CG 3.85Å; F6-W226 HydrophobicContact CE1-CB 3.56Å; F6-W226 AromaticContact CE1-CD1 3.8Å; F6-W226 AromaticContact CE1-CD2 3.81Å; F6-W226 HydrophobicContact CE1-CD2 3.81Å; F6-W226 HydrophobicContact CE1-CE3 4.39Å; F6-W226 AromaticContact CE1-CG 3.42Å; F6-W226 HydrophobicContact CE1-CG 3.42Å; F6-W226 VanDerWaalsContact CE1-CG 3.42Å; F6-W226 HydrophobicContact CG-CB 4.22Å; F6-W226 HydrophobicContact CZ-CB 4.42Å; F6-W226 AromaticContact CZ-CD1 3.84Å; F6-W226 HydrophobicContact CZ-CD2 4.32Å; F6-W226 AromaticContact CZ-CG 3.94Å; F6-W226 HydrophobicContact CZ-CG 3.94Å
7	G	89.4	Confident	92.6	Very high	7 Å²	7	32.8 Å²	32.8	7%	0.072	17%	0.168	C	C	.	.			trans	-70.5	166.8	176.5	0	0	0	0	0	113.1	K5 T9 S10 V11 W226	K5-G7 VanDerWaalsContact NZ-CA 3.3Å; G7-T9 PolarHBondContact O-N 2.96Å; G7-S10 WeakPolarHBondContact O-CA 3.4Å; G7-S10 VanDerWaalsContact O-CB 3.24Å; G7-S10 WeakPolarHBondContact O-CB 3.42Å; G7-S10 PolarHBondContact O-N 3.41Å; G7-V11 WeakPolarHBondContact O-CG2 3.33Å; G7-V11 PolarHBondContact O-N 3.23Å; G7-W226 PolarHBondContact N-O 3.19Å
8	G	89.3	Confident	92.7	Very high	17 Å²	17	32.2 Å²	32.2	18%	0.175	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-61	-30.5	-177.2	0	0	0	0	0	113.8	V11 A12 A39 A41	G8-V11 CarbonylContact O-C 3.47Å; G8-V11 PolarHBondContact O-N 3.25Å; G8-A12 PolarHBondContact O-N 3.34Å; G8-A39 WeakPolarHBondContact CA-O 3.47Å; G8-A41 WeakPolarHBondContact O-CB 3.36Å; G8-A41 PolarHBondContact O-N 3.21Å
9	T	89.1	Confident	92.8	Very high	54 Å²	54	34.7 Å²	34.7	33%	0.331	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-63.5	-40.5	170.8	49.7	0	0	0	0	111.5	G7 V11 A12 R16	G7-T9 PolarHBondContact O-N 2.96Å; T9-V11 PolarHBondContact O-N 2.74Å; T9-A12 WeakPolarHBondContact O-CB 3.25Å; T9-A12 PolarHBondContact O-N 2.89Å; T9-R16 WeakPolarHBondContact O-CD 3.28Å; T9-R16 PolarHBondContact O-NH1 3.4Å
10	S	90.4	Very high	92.9	Very high	3 Å²	3	33 Å²	33	2%	0.021	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-66.1	-17.6	176.7	-52	0	0	0	0	114	G7 R16 V20 W226 T285	G7-S10 WeakPolarHBondContact O-CA 3.4Å; G7-S10 VanDerWaalsContact O-CB 3.24Å; G7-S10 WeakPolarHBondContact O-CB 3.42Å; G7-S10 PolarHBondContact O-N 3.41Å; S10-R16 WeakPolarHBondContact O-CB 3.5Å; S10-V20 WeakPolarHBondContact O-CG2 3.36Å; S10-W226 PolarHBondContact OG-O 3.5Å; S10-T285 WeakPolarHBondContact CB-OG1 3.36Å; S10-T285 PolarHBondContact OG-OG1 3.27Å
11	V	92	Very high	93	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-122.4	35	178.3	-69.2	0	0	0	0	111.8	F6 G7 G8 T9 F17 V20 L37 P40	F6-V11 HydrophobicContact CB-CG1 4.35Å; G7-V11 WeakPolarHBondContact O-CG2 3.33Å; G7-V11 PolarHBondContact O-N 3.23Å; G8-V11 CarbonylContact O-C 3.47Å; G8-V11 PolarHBondContact O-N 3.25Å; T9-V11 PolarHBondContact O-N 2.74Å; V11-F17 HydrophobicContact CB-CD2 3.96Å; V11-F17 HydrophobicContact CB-CE2 3.58Å; V11-F17 HydrophobicContact CB-CZ 3.88Å; V11-F17 HydrophobicContact CG1-CD2 4.42Å; V11-F17 HydrophobicContact CG1-CE1 4.47Å; V11-F17 HydrophobicContact CG1-CE2 4.28Å; V11-F17 HydrophobicContact CG1-CZ 4.28Å; V11-F17 WeakPolarHBondContact O-CE2 3.35Å; V11-V20 HydrophobicContact CG1-CG2 4.15Å; V11-L37 HydrophobicContact CG1-CD2 4.26Å; V11-P40 WeakPolarHBondContact O-CB 3.46Å
12	A	90.7	Very high	93.2	Very high	26 Å²	26	32.3 Å²	32.3	22%	0.215	16%	0.162	C	C	.	.	S	Bend	trans	-75.2	-27.2	-173.7	0	0	0	0	0	115	G8 T9 A41	G8-A12 PolarHBondContact O-N 3.34Å; T9-A12 WeakPolarHBondContact O-CB 3.25Å; T9-A12 PolarHBondContact O-N 2.89Å; A12-A41 HydrophobicContact CB-CB 3.62Å
13	N	92.9	Very high	93.2	Very high	66 Å²	66	29 Å²	29	35%	0.353	15%	0.151	S	C	.	.	S	Bend	trans	-155.5	175.9	-175.6	65.4	28.4	0	0	0	111.2	E15 R16 F17 L74	N13-E15 PolarHBondContact O-N 3.05Å; N13-E15 PolarHBondContact OD1-N 3.25Å; N13-R16 PolarHBondContact O-N 3.35Å; N13-R16 WeakPolarHBondContact OD1-CB 3.38Å; N13-R16 WeakPolarHBondContact OD1-CG 3.33Å; N13-R16 PolarHBondContact OD1-N 3.05Å; N13-F17 WeakPolarHBondContact O-CD2 3.45Å; N13-F17 PolarHBondContact O-N 3.36Å; N13-L74 VanDerWaalsContact C-CD1 3.43Å
14	A	92.8	Very high	93.1	Very high	13 Å²	13	29 Å²	29	11%	0.107	15%	0.151	C	C	.	.	H	α-helix	trans	-58	-44.9	-175.9	0	0	0	0	0	113.4	R16 F17 L18 L74 G77 L78	A14-R16 VanDerWaalsContact C-N 3.3Å; A14-R16 PolarHBondContact O-N 3.29Å; A14-F17 PolarHBondContact O-N 2.89Å; A14-L18 WeakPolarHBondContact O-CG 3.38Å; A14-L18 PolarHBondContact O-N 2.89Å; A14-L74 HydrophobicContact CB-CD1 4.29Å; A14-L74 VanDerWaalsContact N-CD1 3.35Å; A14-G77 VanDerWaalsContact CB-C 3.45Å; A14-L78 HydrophobicContact CB-CD2 3.99Å; A14-L78 HydrophobicContact CB-CG 3.85Å
15	E	93.5	Very high	93	Very high	118 Å²	118	31.2 Å²	31.2	55%	0.551	16%	0.161	S	C	*	.	H	α-helix	trans	-57.7	-44.6	177.5	-172.5	-161	151.2	0	0	111.3	N13 L18 R19	N13-E15 PolarHBondContact O-N 3.05Å; N13-E15 PolarHBondContact OD1-N 3.25Å; E15-L18 PolarHBondContact O-N 2.96Å; E15-R19 PolarHBondContact O-N 2.93Å; E15-R19 IonicContact OE1-CZ 2.69Å; E15-R19 IonicContact OE1-NH2 2.72Å; E15-R19 PolarHBondContact OE1-NH2 3.13Å
16	R	93.3	Very high	92.9	Very high	97 Å²	97	33.5 Å²	33.5	37%	0.366	18%	0.179	S	C	.	.	H	α-helix	trans	-69.8	-39.2	179.1	-68.3	-170.7	-176.1	-172.5	-3.8	112.2	T9 S10 N13 A14 L18 R19 V20	T9-R16 WeakPolarHBondContact O-CD 3.28Å; T9-R16 PolarHBondContact O-NH1 3.4Å; S10-R16 WeakPolarHBondContact O-CB 3.5Å; N13-R16 PolarHBondContact O-N 3.35Å; N13-R16 WeakPolarHBondContact OD1-CB 3.38Å; N13-R16 WeakPolarHBondContact OD1-CG 3.33Å; N13-R16 PolarHBondContact OD1-N 3.05Å; A14-R16 VanDerWaalsContact C-N 3.3Å; A14-R16 PolarHBondContact O-N 3.29Å; R16-L18 VanDerWaalsContact C-N 3.31Å; R16-L18 PolarHBondContact O-N 3.06Å; R16-R19 PolarHBondContact O-N 3.24Å; R16-V20 WeakPolarHBondContact O-CG2 3.4Å; R16-V20 PolarHBondContact O-N 2.95Å
17	F	94.1	Very high	92.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-43	172.1	-98.2	-97.1	0	0	0	112	V11 N13 A14 V20 A21 P40 L74 L78 I133 M134	V11-F17 HydrophobicContact CB-CD2 3.96Å; V11-F17 HydrophobicContact CB-CE2 3.58Å; V11-F17 HydrophobicContact CB-CZ 3.88Å; V11-F17 HydrophobicContact CG1-CD2 4.42Å; V11-F17 HydrophobicContact CG1-CE1 4.47Å; V11-F17 HydrophobicContact CG1-CE2 4.28Å; V11-F17 HydrophobicContact CG1-CZ 4.28Å; V11-F17 WeakPolarHBondContact O-CE2 3.35Å; N13-F17 WeakPolarHBondContact O-CD2 3.45Å; N13-F17 PolarHBondContact O-N 3.36Å; A14-F17 PolarHBondContact O-N 2.89Å; F17-V20 WeakPolarHBondContact O-CB 3.39Å; F17-V20 PolarHBondContact O-N 3.02Å; F17-A21 PolarHBondContact O-N 2.59Å; F17-P40 HydrophobicContact CE2-CG 4.5Å; F17-L74 HydrophobicContact CB-CD1 4.49Å; F17-L74 HydrophobicContact CD2-CD1 3.41Å; F17-L74 VanDerWaalsContact CD2-CD1 3.41Å; F17-L74 HydrophobicContact CD2-CD2 4.09Å; F17-L74 HydrophobicContact CD2-CG 4.37Å; F17-L74 HydrophobicContact CE2-CD1 3.71Å; F17-L74 HydrophobicContact CE2-CD2 3.46Å; F17-L74 VanDerWaalsContact CE2-CD2 3.46Å; F17-L74 HydrophobicContact CE2-CG 4.22Å; F17-L74 HydrophobicContact CG-CD1 4.07Å; F17-L74 HydrophobicContact CZ-CD2 3.89Å; F17-L78 HydrophobicContact CB-CD1 4.44Å; F17-L78 HydrophobicContact CB-CD2 3.93Å; F17-L78 HydrophobicContact CG-CD1 4.49Å; F17-I133 HydrophobicContact CD1-CG2 4.1Å; F17-I133 HydrophobicContact CE1-CB 4.22Å; F17-I133 HydrophobicContact CE1-CG2 3.8Å; F17-I133 HydrophobicContact CZ-CG2 4.29Å; F17-M134 HydrophobicContact CD1-CE 3.55Å; F17-M134 HydrophobicContact CD1-SD 4.5Å; F17-M134 HydrophobicContact CE1-CB 4.39Å; F17-M134 HydrophobicContact CE1-CE 4.06Å; F17-M134 HydrophobicContact CG-CE 4.39Å
18	L	94.4	Very high	92.7	Very high	22 Å²	22	35.5 Å²	35.5	12%	0.115	19%	0.193	C	C	.	.	H	α-helix	trans	-66.2	-40.2	176.7	-66.6	170.7	0	0	0	111.9	A14 E15 R16 V20 A21 D22 L78 A81 Q82 V137	A14-L18 WeakPolarHBondContact O-CG 3.38Å; A14-L18 PolarHBondContact O-N 2.89Å; E15-L18 PolarHBondContact O-N 2.96Å; R16-L18 VanDerWaalsContact C-N 3.31Å; R16-L18 PolarHBondContact O-N 3.06Å; L18-V20 VanDerWaalsContact C-N 3.29Å; L18-V20 PolarHBondContact O-N 3.35Å; L18-A21 CarbonylContact O-C 3.56Å; L18-A21 WeakPolarHBondContact O-CB 3.23Å; L18-A21 PolarHBondContact O-N 2.86Å; L18-A21 VanDerWaalsContact O-N 3.12Å; L18-D22 PolarHBondContact O-N 2.79Å; L18-L78 HydrophobicContact CD1-CD2 4.49Å; L18-L78 HydrophobicContact CD2-CD2 3.97Å; L18-L78 HydrophobicContact CG-CD2 3.88Å; L18-A81 HydrophobicContact CD1-CB 3.46Å; L18-A81 VanDerWaalsContact CD1-CB 3.46Å; L18-Q82 HydrophobicContact CD2-CB 4.02Å; L18-Q82 HydrophobicContact CD2-CG 4.48Å; L18-V137 HydrophobicContact CD2-CG1 4.16Å
19	R	94.1	Very high	92.7	Very high	80 Å²	80	45 Å²	45	30%	0.302	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-39.1	174.1	-170	171.2	-61.9	154.3	8.9	112.1	E15 R16 D22 I23 T285	E15-R19 PolarHBondContact O-N 2.93Å; E15-R19 IonicContact OE1-CZ 2.69Å; E15-R19 IonicContact OE1-NH2 2.72Å; E15-R19 PolarHBondContact OE1-NH2 3.13Å; R16-R19 PolarHBondContact O-N 3.24Å; R19-D22 PolarHBondContact O-N 2.89Å; R19-I23 HydrophobicContact CG-CD1 4.4Å; R19-I23 WeakPolarHBondContact O-CD1 3.39Å; R19-I23 VanDerWaalsContact O-CG1 3.28Å; R19-I23 WeakPolarHBondContact O-CG1 3.19Å; R19-I23 PolarHBondContact O-N 3.34Å; R19-T285 WeakPolarHBondContact CD-O 3.46Å
20	V	94.8	Very high	92.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-47.2	172.4	171.6	0	0	0	0	110.3	F6 S10 V11 R16 F17 L18 D22 I23 L24 L37 M134 T285	F6-V20 HydrophobicContact CB-CG2 4.34Å; F6-V20 HydrophobicContact CD1-CB 4.25Å; F6-V20 HydrophobicContact CD1-CG1 3.88Å; F6-V20 HydrophobicContact CD1-CG2 3.49Å; F6-V20 VanDerWaalsContact CD1-CG2 3.49Å; F6-V20 HydrophobicContact CD2-CG1 3.59Å; F6-V20 HydrophobicContact CE1-CB 4.29Å; F6-V20 HydrophobicContact CE1-CG1 3.91Å; F6-V20 HydrophobicContact CE1-CG2 3.87Å; F6-V20 HydrophobicContact CE2-CG1 3.64Å; F6-V20 HydrophobicContact CG-CB 4.47Å; F6-V20 HydrophobicContact CG-CG1 3.71Å; F6-V20 HydrophobicContact CG-CG2 3.89Å; F6-V20 HydrophobicContact CZ-CG1 3.79Å; S10-V20 WeakPolarHBondContact O-CG2 3.36Å; V11-V20 HydrophobicContact CG1-CG2 4.15Å; R16-V20 WeakPolarHBondContact O-CG2 3.4Å; R16-V20 PolarHBondContact O-N 2.95Å; F17-V20 WeakPolarHBondContact O-CB 3.39Å; F17-V20 PolarHBondContact O-N 3.02Å; L18-V20 VanDerWaalsContact C-N 3.29Å; L18-V20 PolarHBondContact O-N 3.35Å; V20-D22 VanDerWaalsContact C-N 3.31Å; V20-D22 PolarHBondContact O-N 3.46Å; V20-I23 WeakPolarHBondContact O-CB 3.31Å; V20-I23 PolarHBondContact O-N 2.91Å; V20-I23 VanDerWaalsContact O-N 3.13Å; V20-L24 HydrophobicContact CG1-CD1 4.25Å; V20-L24 HydrophobicContact CG1-CG 4.37Å; V20-L24 WeakPolarHBondContact O-CG 3.37Å; V20-L24 PolarHBondContact O-N 2.94Å; V20-L37 HydrophobicContact CG1-CD2 4.47Å; V20-M134 HydrophobicContact CB-CE 3.84Å; V20-M134 HydrophobicContact CG1-CE 3.45Å; V20-M134 VanDerWaalsContact CG1-CE 3.45Å; V20-T285 HydrophobicContact CG2-CG2 4.17Å
21	A	94.7	Very high	92.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.8	-41.9	175.6	0	0	0	0	0	112.2	F17 L18 I23 L24 E25 M134 V137 L138	F17-A21 PolarHBondContact O-N 2.59Å; L18-A21 CarbonylContact O-C 3.56Å; L18-A21 WeakPolarHBondContact O-CB 3.23Å; L18-A21 PolarHBondContact O-N 2.86Å; L18-A21 VanDerWaalsContact O-N 3.12Å; A21-I23 VanDerWaalsContact C-N 3.32Å; A21-I23 PolarHBondContact O-N 3.29Å; A21-L24 WeakPolarHBondContact O-CB 3.45Å; A21-L24 PolarHBondContact O-N 3.13Å; A21-E25 WeakPolarHBondContact O-CG 3.42Å; A21-E25 PolarHBondContact O-N 2.95Å; A21-M134 HydrophobicContact CB-SD 4.29Å; A21-V137 HydrophobicContact CB-CG1 3.88Å; A21-L138 HydrophobicContact CB-CD2 4.17Å
22	D	94.6	Very high	92.5	Very high	81 Å²	81	52.3 Å²	52.3	43%	0.433	26%	0.263	S	S	.	.	H	α-helix	trans	-60.8	-40.6	176	-57.7	-23.6	0	0	0	111.9	L18 R19 V20 S26 R141	L18-D22 PolarHBondContact O-N 2.79Å; R19-D22 PolarHBondContact O-N 2.89Å; V20-D22 VanDerWaalsContact C-N 3.31Å; V20-D22 PolarHBondContact O-N 3.46Å; D22-S26 WeakPolarHBondContact O-CB 3.43Å; D22-S26 PolarHBondContact O-N 3.24Å; D22-R141 IonicContact OD1-CZ 3.7Å; D22-R141 VanDerWaalsContact OD1-CZ 3.3Å; D22-R141 IonicContact OD1-NH1 3.3Å; D22-R141 PolarHBondContact OD1-NH1 2.98Å; D22-R141 IonicContact OD1-NH2 3.37Å; D22-R141 PolarHBondContact OD1-NH2 2.83Å
23	I	93.8	Very high	92.7	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.056	25%	0.254	C	S	.	.	H	α-helix	trans	-65.5	-42.1	176.3	-67.4	162.9	0	0	0	110.6	L4 F6 R19 V20 A21 S26 N27 W226 T285 P288	L4-I23 HydrophobicContact CD2-CG2 4.06Å; F6-I23 HydrophobicContact CE1-CB 4.5Å; F6-I23 HydrophobicContact CE1-CD1 4.03Å; F6-I23 HydrophobicContact CE1-CG2 4.26Å; F6-I23 HydrophobicContact CZ-CB 4.25Å; F6-I23 HydrophobicContact CZ-CG2 3.83Å; R19-I23 HydrophobicContact CG-CD1 4.4Å; R19-I23 WeakPolarHBondContact O-CD1 3.39Å; R19-I23 VanDerWaalsContact O-CG1 3.28Å; R19-I23 WeakPolarHBondContact O-CG1 3.19Å; R19-I23 PolarHBondContact O-N 3.34Å; V20-I23 WeakPolarHBondContact O-CB 3.31Å; V20-I23 PolarHBondContact O-N 2.91Å; V20-I23 VanDerWaalsContact O-N 3.13Å; A21-I23 VanDerWaalsContact C-N 3.32Å; A21-I23 PolarHBondContact O-N 3.29Å; I23-S26 PolarHBondContact O-N 3.01Å; I23-N27 PolarHBondContact O-N 3.42Å; I23-N27 PolarHBondContact O-ND2 2.99Å; I23-W226 HydrophobicContact CD1-CD2 4.49Å; I23-W226 HydrophobicContact CD1-CE3 3.92Å; I23-W226 HydrophobicContact CD1-CH2 4.12Å; I23-W226 HydrophobicContact CD1-CZ3 3.71Å; I23-W226 HydrophobicContact CG1-CH2 4.29Å; I23-W226 HydrophobicContact CG1-CZ3 4.35Å; I23-W226 HydrophobicContact CG2-CD2 4.4Å; I23-W226 HydrophobicContact CG2-CH2 3.71Å; I23-W226 HydrophobicContact CG2-CZ2 3.42Å; I23-W226 VanDerWaalsContact CG2-CZ2 3.42Å; I23-W226 HydrophobicContact CG2-CZ3 4.33Å; I23-T285 HydrophobicContact CD1-CG2 4.07Å; I23-P288 HydrophobicContact CD1-CG 4.17Å; I23-P288 HydrophobicContact CG1-CG 4.39Å
24	L	94.7	Very high	92.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-47.4	177.2	-66.9	-179.6	0	0	0	111.5	L4 F6 V20 A21 S26 N27 A28 V33 T35 M134 L138 M184	L4-L24 HydrophobicContact CB-CD2 4.42Å; L4-L24 HydrophobicContact CD2-CD2 3.93Å; F6-L24 HydrophobicContact CE2-CD2 3.78Å; F6-L24 HydrophobicContact CE2-CG 4.32Å; F6-L24 HydrophobicContact CZ-CD2 4.28Å; V20-L24 HydrophobicContact CG1-CD1 4.25Å; V20-L24 HydrophobicContact CG1-CG 4.37Å; V20-L24 WeakPolarHBondContact O-CG 3.37Å; V20-L24 PolarHBondContact O-N 2.94Å; A21-L24 WeakPolarHBondContact O-CB 3.45Å; A21-L24 PolarHBondContact O-N 3.13Å; L24-S26 VanDerWaalsContact C-N 3.35Å; L24-S26 PolarHBondContact O-N 2.92Å; L24-N27 PolarHBondContact O-N 2.63Å; L24-A28 WeakPolarHBondContact O-CB 3.4Å; L24-A28 PolarHBondContact O-N 3.02Å; L24-V33 HydrophobicContact CD2-CG1 3.84Å; L24-T35 HydrophobicContact CD1-CG2 4.13Å; L24-T35 HydrophobicContact CD2-CG2 3.89Å; L24-T35 WeakPolarHBondContact CD2-OG1 3.12Å; L24-M134 HydrophobicContact CD1-SD 4.36Å; L24-L138 HydrophobicContact CD1-CD1 4.05Å; L24-L138 HydrophobicContact CD1-CD2 4.35Å; L24-M184 HydrophobicContact CB-CE 4.5Å
25	E	94	Very high	93.1	Very high	45 Å²	45	47.5 Å²	47.5	21%	0.21	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-41.9	177.5	-71.6	-173.9	125.7	0	0	112.3	A21 N27 A28 R29 R141 H143 M184	A21-E25 WeakPolarHBondContact O-CG 3.42Å; A21-E25 PolarHBondContact O-N 2.95Å; E25-N27 VanDerWaalsContact C-N 3.33Å; E25-N27 PolarHBondContact O-N 3.21Å; E25-A28 PolarHBondContact O-N 3.06Å; E25-R29 WeakPolarHBondContact O-CG 3.24Å; E25-R29 PolarHBondContact O-N 2.89Å; E25-R141 IonicContact OE2-CZ 2.73Å; E25-R141 IonicContact OE2-NH1 3.74Å; E25-R141 PolarHBondContact OE2-NH1 2.78Å; E25-H143 WeakPolarHBondContact CG-NE2 3.5Å; E25-H143 IonicContact OE1-CD2 3.79Å; E25-H143 IonicContact OE1-CE1 2.72Å; E25-H143 IonicContact OE1-NE2 3.25Å; E25-H143 PolarHBondContact OE1-NE2 3.13Å; E25-M184 HydrophobicContact CG-CE 4.19Å
26	S	92.4	Very high	93.2	Very high	63 Å²	63	41.9 Å²	41.9	44%	0.441	21%	0.206	S	C	.	.	H	α-helix	trans	-60.9	-42.9	176.5	-174.1	0	0	0	0	111.7	D22 I23 L24	D22-S26 WeakPolarHBondContact O-CB 3.43Å; D22-S26 PolarHBondContact O-N 3.24Å; I23-S26 PolarHBondContact O-N 3.01Å; L24-S26 VanDerWaalsContact C-N 3.35Å; L24-S26 PolarHBondContact O-N 2.92Å
27	N	91.5	Very high	93.4	Very high	16 Å²	16	37.2 Å²	37.2	9%	0.086	19%	0.188	C	C	.	.	H	α-helix	trans	-72.6	-34.7	177.3	-80.9	-83.9	0	0	0	112.8	R2 L4 I23 L24 E25 R29 Q30 V33	R2-N27 PolarHBondContact NH1-OD1 3.45Å; L4-N27 HydrophobicContact CD2-CB 4.32Å; I23-N27 PolarHBondContact O-N 3.42Å; I23-N27 PolarHBondContact O-ND2 2.99Å; L24-N27 PolarHBondContact O-N 2.63Å; E25-N27 VanDerWaalsContact C-N 3.33Å; E25-N27 PolarHBondContact O-N 3.21Å; N27-R29 PolarHBondContact O-N 2.65Å; N27-Q30 WeakPolarHBondContact O-CB 3.5Å; N27-Q30 PolarHBondContact O-N 3.03Å; N27-V33 HydrophobicContact CB-CG2 3.65Å
28	A	89.8	Confident	93.4	Very high	34 Å²	34	37.9 Å²	37.9	28%	0.281	19%	0.193	S	C	.	.	H	α-helix	trans	-62.4	-25.3	179.1	0	0	0	0	0	113.2	L24 E25 Q30 G31 V33 M184	L24-A28 WeakPolarHBondContact O-CB 3.4Å; L24-A28 PolarHBondContact O-N 3.02Å; E25-A28 PolarHBondContact O-N 3.06Å; A28-Q30 PolarHBondContact O-N 3.35Å; A28-G31 WeakPolarHBondContact CA-O 3.37Å; A28-G31 PolarHBondContact O-N 3.2Å; A28-V33 HydrophobicContact CB-CG2 4.27Å; A28-M184 HydrophobicContact CB-CE 3.35Å
29	R	88.4	Confident	93.3	Very high	216 Å²	216	36.9 Å²	36.9	82%	0.815	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23	171.4	-65.3	172.9	-174.1	-177.1	2.3	113.5	E25 N27	E25-R29 WeakPolarHBondContact O-CG 3.24Å; E25-R29 PolarHBondContact O-N 2.89Å; N27-R29 PolarHBondContact O-N 2.65Å
30	Q	87.2	Confident	93.3	Very high	132 Å²	132	33.1 Å²	33.1	62%	0.617	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-9.8	-178.3	-58.5	-177	0.4	0	0	112.7	R2 N27 A28	R2-Q30 VanDerWaalsContact CZ-OE1 3.22Å; N27-Q30 WeakPolarHBondContact O-CB 3.5Å; N27-Q30 PolarHBondContact O-N 3.03Å; A28-Q30 PolarHBondContact O-N 3.35Å
31	G	88.6	Confident	93	Very high	38 Å²	38	34.5 Å²	34.5	39%	0.392	19%	0.185	S	C	.	.	S	Bend	trans	149.6	174.5	-179.8	0	0	0	0	0	111.7	A28 V33	A28-G31 WeakPolarHBondContact CA-O 3.37Å; A28-G31 PolarHBondContact O-N 3.2Å; G31-V33 PolarHBondContact O-N 2.93Å
32	Q	92.4	Very high	92.8	Very high	41 Å²	41	41.4 Å²	41.4	19%	0.192	22%	0.215	C	C	.	.			trans	-58.6	137.4	-179.9	-168.5	170.9	28.4	0	0	112	M1 R2 P180 H183	M1-Q32 WeakPolarHBondContact CA-O 3.47Å; M1-Q32 HydrophobicContact CE-CB 4.11Å; M1-Q32 HydrophobicContact CE-CG 3.98Å; M1-Q32 WeakPolarHBondContact CG-O 3.27Å; R2-Q32 PolarHBondContact N-O 3.29Å; Q32-P180 PolarHBondContact NE2-O 3.25Å; Q32-H183 WeakPolarHBondContact CG-O 3.24Å; Q32-H183 PolarHBondContact NE2-O 3.24Å
33	V	94.3	Very high	92.8	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.1	-177.4	177.4	0	0	0	0	109.9	L4 L24 N27 A28 G31 V185	L4-V33 HydrophobicContact CD1-CG1 4.01Å; L4-V33 HydrophobicContact CD2-CG1 4.31Å; L24-V33 HydrophobicContact CD2-CG1 3.84Å; N27-V33 HydrophobicContact CB-CG2 3.65Å; A28-V33 HydrophobicContact CB-CG2 4.27Å; G31-V33 PolarHBondContact O-N 2.93Å; V33-V185 PolarHBondContact O-N 2.92Å
34	A	96.3	Very high	92.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.6	168.1	0	0	0	0	0	110.4	R2 V3 L4 V185 L214 L218	R2-A34 PolarHBondContact O-N 2.63Å; V3-A34 CarbonylContact C-O 3.55Å; V3-A34 VanDerWaalsContact CA-O 3.24Å; V3-A34 WeakPolarHBondContact CA-O 3.36Å; V3-A34 HydrophobicContact CG2-CB 4.14Å; L4-A34 PolarHBondContact N-O 2.87Å; A34-V185 CarbonylContact C-O 3.5Å; A34-V185 WeakPolarHBondContact CA-O 3.42Å; A34-V185 HydrophobicContact CB-CB 3.81Å; A34-V185 HydrophobicContact CB-CG1 4.32Å; A34-V185 HydrophobicContact CB-CG2 4.45Å; A34-L214 HydrophobicContact CB-CD2 4.14Å; A34-L218 HydrophobicContact CB-CD1 3.84Å
35	T	97.3	Very high	92.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.6	-169.8	-47.1	0	0	0	0	111.1	L4 F6 L24 L37 V185 L186 M187	L4-T35 CarbonylContact O-C 3.54Å; L4-T35 WeakPolarHBondContact O-CA 3.27Å; F6-T35 HydrophobicContact CD2-CG2 3.73Å; F6-T35 HydrophobicContact CE2-CG2 3.84Å; L24-T35 HydrophobicContact CD1-CG2 4.13Å; L24-T35 HydrophobicContact CD2-CG2 3.89Å; L24-T35 WeakPolarHBondContact CD2-OG1 3.12Å; T35-L37 HydrophobicContact CG2-CD2 3.75Å; T35-L37 HydrophobicContact CG2-CG 4.23Å; T35-V185 PolarHBondContact N-O 3.29Å; T35-L186 HydrophobicContact CG2-CD2 4.31Å; T35-L186 CarbonylContact O-C 3.6Å; T35-L186 WeakPolarHBondContact O-CA 3.46Å; T35-M187 PolarHBondContact O-N 3.47Å
36	V	97.1	Very high	92.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.7	171.4	-177	0	0	0	0	109.5	V3 L4 K5 F6 M187 A211 L214	V3-V36 HydrophobicContact CG1-CG2 4.45Å; L4-V36 PolarHBondContact O-N 3.26Å; K5-V36 VanDerWaalsContact CA-O 3.3Å; K5-V36 WeakPolarHBondContact CA-O 3.49Å; K5-V36 HydrophobicContact CB-CB 4.4Å; K5-V36 HydrophobicContact CG-CB 4.24Å; K5-V36 HydrophobicContact CG-CG1 4.41Å; F6-V36 PolarHBondContact N-O 3.27Å; V36-M187 WeakPolarHBondContact CA-O 3.32Å; V36-M187 HydrophobicContact CG2-CE 3.86Å; V36-A211 HydrophobicContact CB-CB 4.1Å; V36-A211 HydrophobicContact CG2-CB 3.94Å; V36-L214 HydrophobicContact CG2-CD2 3.73Å
37	L	96.2	Very high	92.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.4	178.3	-58.6	-176.8	0	0	0	111.4	F6 V11 V20 T35 I131 M134 M187 G189	F6-L37 HydrophobicContact CB-CD2 3.8Å; F6-L37 HydrophobicContact CD2-CD2 3.84Å; F6-L37 HydrophobicContact CG-CD2 4.21Å; V11-L37 HydrophobicContact CG1-CD2 4.26Å; V20-L37 HydrophobicContact CG1-CD2 4.47Å; T35-L37 HydrophobicContact CG2-CD2 3.75Å; T35-L37 HydrophobicContact CG2-CG 4.23Å; L37-I131 HydrophobicContact CB-CD1 3.81Å; L37-I131 HydrophobicContact CB-CG1 4.4Å; L37-I131 HydrophobicContact CD1-CD1 3.91Å; L37-I131 HydrophobicContact CG-CD1 3.81Å; L37-M134 HydrophobicContact CD1-CB 3.49Å; L37-M134 VanDerWaalsContact CD1-CB 3.49Å; L37-M134 HydrophobicContact CD1-CE 4.12Å; L37-M134 HydrophobicContact CD1-CG 3.85Å; L37-M187 PolarHBondContact N-O 3.01Å; L37-G189 PolarHBondContact O-N 2.93Å
38	S	94.6	Very high	92.7	Very high	13 Å²	13	42.7 Å²	42.7	9%	0.091	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-78.3	167.3	163.5	-64.4	0	0	0	0	111.4	K5 F6 S130 S207	K5-S38 WeakPolarHBondContact CE-OG 3.4Å; F6-S38 PolarHBondContact O-N 3.4Å; F6-S38 VanDerWaalsContact O-N 3.15Å; S38-S130 WeakPolarHBondContact O-CB 3.3Å; S38-S130 PolarHBondContact O-OG 3.36Å; S38-S207 WeakPolarHBondContact OG-CB 3.2Å; S38-S207 PolarHBondContact OG-OG 2.81Å
39	A	92.9	Very high	92.9	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-58.9	151.2	165.9	0	0	0	0	0	111.3	G8 I43 T44 E127	G8-A39 WeakPolarHBondContact CA-O 3.47Å; A39-I43 HydrophobicContact CB-CB 4.19Å; A39-I43 HydrophobicContact CB-CG2 4.22Å; A39-T44 WeakPolarHBondContact CB-OG1 3.34Å; A39-E127 HydrophobicContact CB-CG 4.49Å; A39-E127 WeakPolarHBondContact CB-OE1 3.29Å; A39-E127 PolarHBondContact N-OE1 2.78Å
40	P	92.8	Very high	93.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-56.4	150.5	173.6	-22.5	36.3	0	0	0	111.2	V11 F17 K42 I43 F71 S130	V11-P40 WeakPolarHBondContact O-CB 3.46Å; F17-P40 HydrophobicContact CE2-CG 4.5Å; P40-K42 PolarHBondContact O-N 2.95Å; P40-I43 HydrophobicContact CB-CG1 3.84Å; P40-I43 HydrophobicContact CG-CG1 4.17Å; P40-I43 VanDerWaalsContact O-CB 3.3Å; P40-I43 WeakPolarHBondContact O-CB 3.34Å; P40-I43 WeakPolarHBondContact O-CG1 3.49Å; P40-I43 PolarHBondContact O-N 3.16Å; P40-F71 HydrophobicContact CG-CE1 3.79Å; P40-F71 HydrophobicContact CG-CZ 3.87Å; P40-S130 WeakPolarHBondContact CD-OG 3.42Å
41	A	89.1	Confident	93.4	Very high	29 Å²	29	25.8 Å²	25.8	24%	0.24	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	136.6	-178.3	0	0	0	0	0	111.8	G8 A12 I43	G8-A41 WeakPolarHBondContact O-CB 3.36Å; G8-A41 PolarHBondContact O-N 3.21Å; A12-A41 HydrophobicContact CB-CB 3.62Å; A41-I43 PolarHBondContact O-N 2.85Å
42	K	91.4	Very high	93.6	Very high	144 Å²	144	29.8 Å²	29.8	63%	0.626	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	-18.7	-177.5	-48.5	174.8	179.3	178.4	0	116.2	P40 T44 N45 H46	P40-K42 PolarHBondContact O-N 2.95Å; K42-T44 PolarHBondContact O-N 3.46Å; K42-N45 WeakPolarHBondContact O-CB 3.38Å; K42-N45 PolarHBondContact O-N 3.48Å; K42-N45 VanDerWaalsContact O-N 3.09Å; K42-H46 PolarHBondContact O-CD2 3.46Å; K42-H46 PolarHBondContact O-N 3.47Å
43	I	93.7	Very high	93.6	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-48.4	-175.1	-67.1	-60.5	0	0	0	112.3	A39 P40 A41 N45 H46 L47 A67 I70 F71	A39-I43 HydrophobicContact CB-CB 4.19Å; A39-I43 HydrophobicContact CB-CG2 4.22Å; P40-I43 HydrophobicContact CB-CG1 3.84Å; P40-I43 HydrophobicContact CG-CG1 4.17Å; P40-I43 VanDerWaalsContact O-CB 3.3Å; P40-I43 WeakPolarHBondContact O-CB 3.34Å; P40-I43 WeakPolarHBondContact O-CG1 3.49Å; P40-I43 PolarHBondContact O-N 3.16Å; A41-I43 PolarHBondContact O-N 2.85Å; I43-N45 VanDerWaalsContact C-N 3.26Å; I43-N45 PolarHBondContact O-N 2.89Å; I43-H46 PolarHBondContact O-N 3.33Å; I43-H46 VanDerWaalsContact O-N 3.09Å; I43-L47 HydrophobicContact CG2-CD1 3.82Å; I43-L47 HydrophobicContact CG2-CG 4.28Å; I43-L47 WeakPolarHBondContact O-CG 3.48Å; I43-L47 PolarHBondContact O-N 2.83Å; I43-A67 HydrophobicContact CD1-CB 4.06Å; I43-I70 HydrophobicContact CD1-CB 3.98Å; I43-I70 HydrophobicContact CD1-CD1 3.9Å; I43-I70 HydrophobicContact CD1-CG2 3.82Å; I43-I70 HydrophobicContact CG1-CG2 4.26Å; I43-F71 HydrophobicContact CD1-CD2 3.98Å; I43-F71 HydrophobicContact CD1-CE2 3.59Å; I43-F71 HydrophobicContact CD1-CZ 4.38Å; I43-F71 HydrophobicContact CG1-CE2 3.84Å; I43-F71 HydrophobicContact CG1-CZ 4.15Å; I43-F71 HydrophobicContact CG2-CE2 3.97Å; I43-F71 HydrophobicContact CG2-CZ 4.27Å
44	T	91.5	Very high	93.5	Very high	41 Å²	41	31.2 Å²	31.2	25%	0.252	16%	0.164	S	C	.	.	H	α-helix	trans	-58.3	-39.2	176.9	-44.7	0	0	0	0	111.8	A39 K42 L47 V48	A39-T44 WeakPolarHBondContact CB-OG1 3.34Å; K42-T44 PolarHBondContact O-N 3.46Å; T44-L47 PolarHBondContact O-N 2.96Å; T44-V48 WeakPolarHBondContact O-CG2 3.35Å; T44-V48 PolarHBondContact O-N 3.03Å
45	N	92.5	Very high	93.3	Very high	121 Å²	121	34.8 Å²	34.8	65%	0.647	18%	0.183	S	C	*	.	H	α-helix	trans	-66.9	-40	176.8	-65.5	-8.3	0	0	0	111.7	K42 I43 A49	K42-N45 WeakPolarHBondContact O-CB 3.38Å; K42-N45 PolarHBondContact O-N 3.48Å; K42-N45 VanDerWaalsContact O-N 3.09Å; I43-N45 VanDerWaalsContact C-N 3.26Å; I43-N45 PolarHBondContact O-N 2.89Å; N45-A49 VanDerWaalsContact O-CB 3.23Å; N45-A49 WeakPolarHBondContact O-CB 3.49Å; N45-A49 PolarHBondContact O-N 2.94Å
46	H	94.5	Very high	92.9	Very high	27 Å²	27	38.2 Å²	38.2	13%	0.125	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-43.5	173.8	-75.3	-76.7	0	0	0	110.9	K42 I43 A49 M50 N63 D66 A67	K42-H46 PolarHBondContact O-CD2 3.46Å; K42-H46 PolarHBondContact O-N 3.47Å; I43-H46 PolarHBondContact O-N 3.33Å; I43-H46 VanDerWaalsContact O-N 3.09Å; H46-A49 PolarHBondContact O-N 3.32Å; H46-M50 HydrophobicContact CB-CE 3.97Å; H46-M50 WeakPolarHBondContact O-CG 3.5Å; H46-M50 PolarHBondContact O-N 2.86Å; H46-N63 PolarHBondContact ND1-ND2 2.9Å; H46-D66 IonicContact CE1-OD2 3.16Å; H46-A67 HydrophobicContact CB-CB 4.28Å
47	L	93.6	Very high	92.5	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-44.6	178.5	-68.2	168.4	0	0	0	112.2	I43 T44 M50 I51 I101	I43-L47 HydrophobicContact CG2-CD1 3.82Å; I43-L47 HydrophobicContact CG2-CG 4.28Å; I43-L47 WeakPolarHBondContact O-CG 3.48Å; I43-L47 PolarHBondContact O-N 2.83Å; T44-L47 PolarHBondContact O-N 2.96Å; L47-M50 HydrophobicContact CD2-CE 4.19Å; L47-M50 HydrophobicContact CD2-SD 4.15Å; L47-M50 WeakPolarHBondContact O-CB 3.29Å; L47-M50 PolarHBondContact O-N 2.8Å; L47-I51 WeakPolarHBondContact O-CG1 3.44Å; L47-I51 PolarHBondContact O-N 2.84Å; L47-I101 HydrophobicContact CD2-CD1 3.93Å
48	V	92.5	Very high	92.2	Very high	50 Å²	50	47.3 Å²	47.3	30%	0.303	27%	0.268	S	S	.	.	H	α-helix	trans	-62.1	-47	174.5	172.3	0	0	0	0	110.6	T44 M50 I51 E52 I123	T44-V48 WeakPolarHBondContact O-CG2 3.35Å; T44-V48 PolarHBondContact O-N 3.03Å; V48-M50 VanDerWaalsContact C-N 3.31Å; V48-M50 PolarHBondContact O-N 2.73Å; V48-I51 WeakPolarHBondContact O-CB 3.28Å; V48-I51 PolarHBondContact O-N 2.94Å; V48-I51 VanDerWaalsContact O-N 3.13Å; V48-E52 HydrophobicContact CG1-CG 4.36Å; V48-E52 PolarHBondContact O-N 3.21Å; V48-I123 HydrophobicContact CG2-CG2 3.78Å
49	A	93.6	Very high	91.9	Very high	21 Å²	21	51.3 Å²	51.3	17%	0.174	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-34.6	178.3	0	0	0	0	0	112.8	N45 H46 I51 K53 N63	N45-A49 VanDerWaalsContact O-CB 3.23Å; N45-A49 WeakPolarHBondContact O-CB 3.49Å; N45-A49 PolarHBondContact O-N 2.94Å; H46-A49 PolarHBondContact O-N 3.32Å; A49-I51 VanDerWaalsContact C-N 3.33Å; A49-I51 PolarHBondContact O-N 2.87Å; A49-K53 WeakPolarHBondContact O-CB 3.49Å; A49-K53 VanDerWaalsContact O-CG 3.22Å; A49-K53 WeakPolarHBondContact O-CG 3.19Å; A49-K53 PolarHBondContact O-N 3.34Å; A49-N63 WeakPolarHBondContact CB-ND2 3.39Å
50	M	94.4	Very high	91.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-44.5	173.7	-72.7	171.1	-146.3	0	0	111.1	H46 L47 V48 T54 A60 N63 I64 A67 I101 L105	H46-M50 HydrophobicContact CB-CE 3.97Å; H46-M50 WeakPolarHBondContact O-CG 3.5Å; H46-M50 PolarHBondContact O-N 2.86Å; L47-M50 HydrophobicContact CD2-CE 4.19Å; L47-M50 HydrophobicContact CD2-SD 4.15Å; L47-M50 WeakPolarHBondContact O-CB 3.29Å; L47-M50 PolarHBondContact O-N 2.8Å; V48-M50 VanDerWaalsContact C-N 3.31Å; V48-M50 PolarHBondContact O-N 2.73Å; M50-T54 VanDerWaalsContact O-CB 3.23Å; M50-T54 WeakPolarHBondContact O-CB 3.42Å; M50-T54 PolarHBondContact O-N 3.06Å; M50-T54 PolarHBondContact O-OG1 3.38Å; M50-A60 HydrophobicContact CB-CB 4.47Å; M50-N63 HydrophobicContact CE-CB 4.38Å; M50-N63 WeakPolarHBondContact CE-O 3.37Å; M50-N63 HydrophobicContact CG-CB 3.76Å; M50-I64 HydrophobicContact CE-CG1 4.25Å; M50-I64 HydrophobicContact CG-CG1 3.93Å; M50-I64 HydrophobicContact SD-CG1 3.67Å; M50-A67 HydrophobicContact CE-CB 3.66Å; M50-I101 HydrophobicContact SD-CG2 4.13Å; M50-L105 HydrophobicContact CB-CD1 3.98Å; M50-L105 HydrophobicContact CB-CD2 4.11Å; M50-L105 HydrophobicContact CG-CD1 4.35Å; M50-L105 HydrophobicContact SD-CD1 4.16Å
51	I	92.6	Very high	91.7	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-52.5	178.4	-62.1	166.1	0	0	0	110.3	L47 V48 A49 K53 T54 I55 L105 C114 N119 L122 I123	L47-I51 WeakPolarHBondContact O-CG1 3.44Å; L47-I51 PolarHBondContact O-N 2.84Å; V48-I51 WeakPolarHBondContact O-CB 3.28Å; V48-I51 PolarHBondContact O-N 2.94Å; V48-I51 VanDerWaalsContact O-N 3.13Å; A49-I51 VanDerWaalsContact C-N 3.33Å; A49-I51 PolarHBondContact O-N 2.87Å; I51-K53 PolarHBondContact O-N 2.82Å; I51-T54 PolarHBondContact O-N 3.47Å; I51-I55 HydrophobicContact CG2-CD1 3.71Å; I51-I55 HydrophobicContact CG2-CG1 4.46Å; I51-I55 VanDerWaalsContact O-CG1 3.3Å; I51-I55 WeakPolarHBondContact O-CG1 3.33Å; I51-I55 PolarHBondContact O-N 3.34Å; I51-L105 HydrophobicContact CG1-CD2 4.42Å; I51-C114 HydrophobicContact CG2-CB 3.9Å; I51-N119 WeakPolarHBondContact CD1-OD1 3.47Å; I51-L122 HydrophobicContact CD1-CB 3.87Å; I51-L122 HydrophobicContact CD1-CD1 3.94Å; I51-L122 HydrophobicContact CG1-CD1 3.79Å; I51-I123 HydrophobicContact CD1-CG2 3.75Å
52	E	92.7	Very high	91.9	Very high	123 Å²	123	58.1 Å²	58.1	58%	0.575	33%	0.325	S	S	*	.	H	α-helix	trans	-61.4	-41.9	-178.2	-69.2	176.8	172.1	0	0	112.7	V48 I55 S56	V48-E52 HydrophobicContact CG1-CG 4.36Å; V48-E52 PolarHBondContact O-N 3.21Å; E52-I55 PolarHBondContact O-N 2.84Å; E52-S56 WeakPolarHBondContact O-CB 3.49Å; E52-S56 PolarHBondContact O-N 2.72Å; E52-S56 PolarHBondContact O-OG 3.12Å
53	K	92.9	Very high	92	Very high	57 Å²	57	52.2 Å²	52.2	25%	0.248	30%	0.3	C	S	.	.	H	α-helix	trans	-65.8	-42.5	176.4	-75	-176.2	173.4	-171.8	0	111.9	A49 I51 I55 S56 G57 Q58 A60 N63	A49-K53 WeakPolarHBondContact O-CB 3.49Å; A49-K53 VanDerWaalsContact O-CG 3.22Å; A49-K53 WeakPolarHBondContact O-CG 3.19Å; A49-K53 PolarHBondContact O-N 3.34Å; I51-K53 PolarHBondContact O-N 2.82Å; K53-I55 PolarHBondContact O-N 2.91Å; K53-S56 WeakPolarHBondContact CA-OG 3.31Å; K53-S56 CarbonylContact O-C 3.46Å; K53-S56 PolarHBondContact O-N 3.2Å; K53-S56 PolarHBondContact O-OG 3.39Å; K53-S56 VanDerWaalsContact O-OG 3.09Å; K53-G57 PolarHBondContact O-N 2.92Å; K53-G57 VanDerWaalsContact O-N 3.09Å; K53-Q58 CarbonylContact C-O 3.59Å; K53-Q58 HydrophobicContact CB-CB 3.99Å; K53-Q58 HydrophobicContact CG-CB 4.16Å; K53-Q58 PolarHBondContact O-N 3.2Å; K53-A60 HydrophobicContact CB-CB 4.28Å; K53-N63 WeakPolarHBondContact CD-OD1 3.41Å; K53-N63 WeakPolarHBondContact CE-OD1 3.46Å; K53-N63 PolarHBondContact NZ-OD1 3.49Å
54	T	92.3	Very high	91.9	Very high	16 Å²	16	52.6 Å²	52.6	10%	0.098	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-41.2	178.8	-58	0	0	0	0	111.5	M50 I51 G57 L105 I108	M50-T54 VanDerWaalsContact O-CB 3.23Å; M50-T54 WeakPolarHBondContact O-CB 3.42Å; M50-T54 PolarHBondContact O-N 3.06Å; M50-T54 PolarHBondContact O-OG1 3.38Å; I51-T54 PolarHBondContact O-N 3.47Å; T54-G57 PolarHBondContact O-N 3.26Å; T54-L105 WeakPolarHBondContact CG2-O 3.14Å; T54-I108 HydrophobicContact CG2-CB 4.13Å; T54-I108 HydrophobicContact CG2-CG2 3.88Å
55	I	90.8	Very high	92.1	Very high	76 Å²	76	53.7 Å²	53.7	39%	0.39	31%	0.312	S	S	.	.	H	α-helix	trans	-65.3	-39.3	175.9	-66.8	167	0	0	0	111.2	I51 E52 K53 G57 I108 C114	I51-I55 HydrophobicContact CG2-CD1 3.71Å; I51-I55 HydrophobicContact CG2-CG1 4.46Å; I51-I55 VanDerWaalsContact O-CG1 3.3Å; I51-I55 WeakPolarHBondContact O-CG1 3.33Å; I51-I55 PolarHBondContact O-N 3.34Å; E52-I55 PolarHBondContact O-N 2.84Å; K53-I55 PolarHBondContact O-N 2.91Å; I55-G57 PolarHBondContact O-N 3.46Å; I55-I108 HydrophobicContact CG1-CG2 3.87Å; I55-C114 HydrophobicContact CD1-CB 3.7Å; I55-C114 HydrophobicContact CG1-CB 4.25Å
56	S	90.2	Very high	92.2	Very high	72 Å²	72	50.7 Å²	50.7	50%	0.503	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	3.3	179.5	57.8	0	0	0	0	114.5	E52 K53 Q58	E52-S56 WeakPolarHBondContact O-CB 3.49Å; E52-S56 PolarHBondContact O-N 2.72Å; E52-S56 PolarHBondContact O-OG 3.12Å; K53-S56 WeakPolarHBondContact CA-OG 3.31Å; K53-S56 CarbonylContact O-C 3.46Å; K53-S56 PolarHBondContact O-N 3.2Å; K53-S56 PolarHBondContact O-OG 3.39Å; K53-S56 VanDerWaalsContact O-OG 3.09Å; S56-Q58 PolarHBondContact O-N 3.12Å
57	G	87	Confident	92.2	Very high	71 Å²	71	49.4 Å²	49.4	73%	0.732	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	14.7	-178.2	0	0	0	0	0	114.5	K53 T54 I55	K53-G57 PolarHBondContact O-N 2.92Å; K53-G57 VanDerWaalsContact O-N 3.09Å; T54-G57 PolarHBondContact O-N 3.26Å; I55-G57 PolarHBondContact O-N 3.46Å
58	Q	90	Very high	92.2	Very high	120 Å²	120	52 Å²	52	56%	0.561	30%	0.301	S	S	*	.			trans	-85.9	156.8	174.9	-62.3	-177.1	4	0	0	111.4	K53 S56 A60	K53-Q58 CarbonylContact C-O 3.59Å; K53-Q58 HydrophobicContact CB-CB 3.99Å; K53-Q58 HydrophobicContact CG-CB 4.16Å; K53-Q58 PolarHBondContact O-N 3.2Å; S56-Q58 PolarHBondContact O-N 3.12Å; Q58-A60 PolarHBondContact O-N 2.98Å
59	D	88.5	Confident	92.3	Very high	96 Å²	96	55.2 Å²	55.2	51%	0.513	31%	0.308	S	S	.	.			trans	-70.8	115.8	178	-174.2	14.4	0	0	0	111.9	L61	D59-L61 WeakPolarHBondContact OD1-CB 3.29Å; D59-L61 WeakPolarHBondContact OD1-CD1 3.4Å; D59-L61 WeakPolarHBondContact OD1-CG 3.45Å; D59-L61 PolarHBondContact OD1-N 3.26Å
60	A	90.5	Very high	92.4	Very high	9 Å²	9	55.4 Å²	55.4	7%	0.074	31%	0.306	C	S	.	.			trans	-87.6	-9.6	175.7	0	0	0	0	0	113.3	M50 K53 Q58 P62 N63 I64	M50-A60 HydrophobicContact CB-CB 4.47Å; K53-A60 HydrophobicContact CB-CB 4.28Å; Q58-A60 PolarHBondContact O-N 2.98Å; A60-P62 VanDerWaalsContact C-CD 3.44Å; A60-N63 PolarHBondContact O-N 2.79Å; A60-N63 VanDerWaalsContact O-N 3.09Å; A60-I64 HydrophobicContact CB-CD1 4.47Å; A60-I64 WeakPolarHBondContact O-CG1 3.38Å; A60-I64 PolarHBondContact O-N 2.94Å; A60-I64 VanDerWaalsContact O-N 3.08Å
61	L	90.9	Very high	92.4	Very high	102 Å²	102	55.4 Å²	55.4	53%	0.534	31%	0.306	S	S	.	.	H	α-helix	trans	-53.6	-42.1	-178.8	-69.8	170.2	0	0	0	113.6	D59 N63 I64 S65	D59-L61 WeakPolarHBondContact OD1-CB 3.29Å; D59-L61 WeakPolarHBondContact OD1-CD1 3.4Å; D59-L61 WeakPolarHBondContact OD1-CG 3.45Å; D59-L61 PolarHBondContact OD1-N 3.26Å; L61-N63 VanDerWaalsContact C-N 3.29Å; L61-N63 PolarHBondContact O-N 2.81Å; L61-I64 PolarHBondContact O-N 2.98Å; L61-I64 VanDerWaalsContact O-N 3.15Å; L61-S65 PolarHBondContact O-N 2.55Å; L61-S65 PolarHBondContact O-OG 2.88Å
62	P	93	Very high	92.4	Very high	65 Å²	65	57.7 Å²	57.7	42%	0.422	33%	0.325	S	S	.	.	H	α-helix	trans	-58.5	-41.5	177.8	-25.4	35.3	0	0	0	112.6	A60 D66	A60-P62 VanDerWaalsContact C-CD 3.44Å; P62-D66 WeakPolarHBondContact O-CB 3.26Å; P62-D66 PolarHBondContact O-N 2.86Å
63	N	94	Very high	92.5	Very high	19 Å²	19	57 Å²	57	10%	0.102	32%	0.322	C	S	.	.	H	α-helix	trans	-68.5	-39.2	178.4	-70.5	85.5	0	0	0	111.7	H46 A49 M50 K53 A60 L61 A67	H46-N63 PolarHBondContact ND1-ND2 2.9Å; A49-N63 WeakPolarHBondContact CB-ND2 3.39Å; M50-N63 HydrophobicContact CE-CB 4.38Å; M50-N63 WeakPolarHBondContact CE-O 3.37Å; M50-N63 HydrophobicContact CG-CB 3.76Å; K53-N63 WeakPolarHBondContact CD-OD1 3.41Å; K53-N63 WeakPolarHBondContact CE-OD1 3.46Å; K53-N63 PolarHBondContact NZ-OD1 3.49Å; A60-N63 PolarHBondContact O-N 2.79Å; A60-N63 VanDerWaalsContact O-N 3.09Å; L61-N63 VanDerWaalsContact C-N 3.29Å; L61-N63 PolarHBondContact O-N 2.81Å; N63-A67 WeakPolarHBondContact O-CB 3.39Å; N63-A67 PolarHBondContact O-N 2.77Å
64	I	92.9	Very high	92.5	Very high	11 Å²	11	54.5 Å²	54.5	6%	0.056	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-50.7	176.1	-64.1	167.9	0	0	0	109.8	M50 A60 L61 D66 A67 E68 K102 L105	M50-I64 HydrophobicContact CE-CG1 4.25Å; M50-I64 HydrophobicContact CG-CG1 3.93Å; M50-I64 HydrophobicContact SD-CG1 3.67Å; A60-I64 HydrophobicContact CB-CD1 4.47Å; A60-I64 WeakPolarHBondContact O-CG1 3.38Å; A60-I64 PolarHBondContact O-N 2.94Å; A60-I64 VanDerWaalsContact O-N 3.08Å; L61-I64 PolarHBondContact O-N 2.98Å; L61-I64 VanDerWaalsContact O-N 3.15Å; I64-D66 PolarHBondContact O-N 2.88Å; I64-A67 PolarHBondContact O-N 3.29Å; I64-E68 HydrophobicContact CG2-CG 4.4Å; I64-E68 WeakPolarHBondContact O-CG 3.25Å; I64-E68 PolarHBondContact O-N 3.42Å; I64-K102 HydrophobicContact CD1-CG 4.4Å; I64-K102 VanDerWaalsContact CG2-CE 3.45Å; I64-K102 HydrophobicContact CG2-CG 4.42Å; I64-L105 HydrophobicContact CD1-CD1 3.81Å; I64-L105 HydrophobicContact CG1-CD1 4.22Å
65	S	93.8	Very high	92.6	Very high	64 Å²	64	54 Å²	54	45%	0.448	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-39.5	-179.8	-63.5	0	0	0	0	112.7	L61 E68 R69	L61-S65 PolarHBondContact O-N 2.55Å; L61-S65 PolarHBondContact O-OG 2.88Å; S65-E68 PolarHBondContact O-N 2.82Å; S65-R69 VanDerWaalsContact O-CB 3.24Å; S65-R69 WeakPolarHBondContact O-CB 3.42Å; S65-R69 PolarHBondContact O-N 2.93Å
66	D	95	Very high	92.7	Very high	58 Å²	58	54.8 Å²	54.8	31%	0.31	32%	0.317	S	S	.	.	H	α-helix	trans	-63.6	-42.3	174.3	-86.6	-33.1	0	0	0	112.1	H46 P62 I64 R69 I70	H46-D66 IonicContact CE1-OD2 3.16Å; P62-D66 WeakPolarHBondContact O-CB 3.26Å; P62-D66 PolarHBondContact O-N 2.86Å; I64-D66 PolarHBondContact O-N 2.88Å; D66-R69 PolarHBondContact O-N 2.81Å; D66-R69 IonicContact OD1-CZ 3.69Å; D66-R69 IonicContact OD1-NE 2.68Å; D66-R69 IonicContact OD1-NH2 2.66Å; D66-R69 PolarHBondContact OD1-NH2 3.06Å; D66-I70 VanDerWaalsContact O-CG1 3.27Å; D66-I70 WeakPolarHBondContact O-CG1 3.13Å; D66-I70 PolarHBondContact O-N 3.34Å
67	A	93.9	Very high	92.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66.1	-44.3	177.2	0	0	0	0	0	111.9	I43 H46 M50 N63 I64 R69 I70 F71 F98	I43-A67 HydrophobicContact CD1-CB 4.06Å; H46-A67 HydrophobicContact CB-CB 4.28Å; M50-A67 HydrophobicContact CE-CB 3.66Å; N63-A67 WeakPolarHBondContact O-CB 3.39Å; N63-A67 PolarHBondContact O-N 2.77Å; I64-A67 PolarHBondContact O-N 3.29Å; A67-R69 VanDerWaalsContact C-N 3.3Å; A67-R69 PolarHBondContact O-N 2.89Å; A67-I70 PolarHBondContact O-N 2.88Å; A67-F71 WeakPolarHBondContact O-CD2 3.43Å; A67-F71 PolarHBondContact O-N 3.41Å; A67-F98 HydrophobicContact CB-CE1 3.76Å; A67-F98 HydrophobicContact CB-CZ 3.82Å
68	E	94.9	Very high	93.1	Very high	56 Å²	56	49.1 Å²	49.1	26%	0.262	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-43.4	174.2	-74.8	179.2	150.6	0	0	111.1	I64 S65 F71 A72 F98 K102	I64-E68 HydrophobicContact CG2-CG 4.4Å; I64-E68 WeakPolarHBondContact O-CG 3.25Å; I64-E68 PolarHBondContact O-N 3.42Å; S65-E68 PolarHBondContact O-N 2.82Å; E68-F71 PolarHBondContact O-N 3.5Å; E68-A72 VanDerWaalsContact O-CB 3.32Å; E68-A72 WeakPolarHBondContact O-CB 3.41Å; E68-A72 PolarHBondContact O-N 3.47Å; E68-F98 HydrophobicContact CG-CB 4.34Å; E68-F98 HydrophobicContact CG-CD1 3.57Å; E68-F98 HydrophobicContact CG-CD2 3.92Å; E68-F98 HydrophobicContact CG-CE1 3.73Å; E68-F98 HydrophobicContact CG-CE2 4.07Å; E68-F98 HydrophobicContact CG-CG 3.68Å; E68-F98 HydrophobicContact CG-CZ 3.98Å; E68-K102 VanDerWaalsContact OE1-CE 3.25Å; E68-K102 WeakPolarHBondContact OE1-CE 2.96Å; E68-K102 IonicContact OE1-NZ 3.84Å; E68-K102 PolarHBondContact OE1-NZ 2.91Å; E68-K102 IonicContact OE2-NZ 2.79Å
69	R	95	Very high	93.3	Very high	119 Å²	119	45.9 Å²	45.9	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-62.3	-44.5	177.5	-177.4	175.6	62.8	86.9	-1.1	112.2	S65 D66 A67 F71 A72 E73	S65-R69 VanDerWaalsContact O-CB 3.24Å; S65-R69 WeakPolarHBondContact O-CB 3.42Å; S65-R69 PolarHBondContact O-N 2.93Å; D66-R69 PolarHBondContact O-N 2.81Å; D66-R69 IonicContact OD1-CZ 3.69Å; D66-R69 IonicContact OD1-NE 2.68Å; D66-R69 IonicContact OD1-NH2 2.66Å; D66-R69 PolarHBondContact OD1-NH2 3.06Å; A67-R69 VanDerWaalsContact C-N 3.3Å; A67-R69 PolarHBondContact O-N 2.89Å; R69-F71 VanDerWaalsContact C-N 3.33Å; R69-F71 PolarHBondContact O-N 2.87Å; R69-A72 PolarHBondContact O-N 2.94Å; R69-E73 WeakPolarHBondContact CD-OE1 3.21Å; R69-E73 HydrophobicContact CG-CG 4.25Å; R69-E73 WeakPolarHBondContact CG-OE1 3.36Å; R69-E73 IonicContact CZ-OE1 2.65Å; R69-E73 IonicContact NH1-OE1 2.63Å; R69-E73 PolarHBondContact NH1-OE1 3.47Å; R69-E73 IonicContact NH1-OE2 2.66Å; R69-E73 WeakPolarHBondContact O-CB 3.26Å; R69-E73 WeakPolarHBondContact O-CG 3.26Å; R69-E73 PolarHBondContact O-N 3.36Å
70	I	94.2	Very high	93.4	Very high	25 Å²	25	45.6 Å²	45.6	13%	0.128	27%	0.27	C	S	.	.	H	α-helix	trans	-57.4	-46.7	177.4	-71.2	163.4	0	0	0	110.8	I43 D66 A67 L74	I43-I70 HydrophobicContact CD1-CB 3.98Å; I43-I70 HydrophobicContact CD1-CD1 3.9Å; I43-I70 HydrophobicContact CD1-CG2 3.82Å; I43-I70 HydrophobicContact CG1-CG2 4.26Å; D66-I70 VanDerWaalsContact O-CG1 3.27Å; D66-I70 WeakPolarHBondContact O-CG1 3.13Å; D66-I70 PolarHBondContact O-N 3.34Å; A67-I70 PolarHBondContact O-N 2.88Å; I70-L74 VanDerWaalsContact O-CB 3.27Å; I70-L74 WeakPolarHBondContact O-CB 3.24Å; I70-L74 PolarHBondContact O-N 2.85Å
71	F	94.2	Very high	93.4	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-70	-37.5	177.8	-79.3	-73.8	0	0	0	112.6	P40 I43 A67 E68 R69 L74 L75 V94 F98 M129 I133	P40-F71 HydrophobicContact CG-CE1 3.79Å; P40-F71 HydrophobicContact CG-CZ 3.87Å; I43-F71 HydrophobicContact CD1-CD2 3.98Å; I43-F71 HydrophobicContact CD1-CE2 3.59Å; I43-F71 HydrophobicContact CD1-CZ 4.38Å; I43-F71 HydrophobicContact CG1-CE2 3.84Å; I43-F71 HydrophobicContact CG1-CZ 4.15Å; I43-F71 HydrophobicContact CG2-CE2 3.97Å; I43-F71 HydrophobicContact CG2-CZ 4.27Å; A67-F71 WeakPolarHBondContact O-CD2 3.43Å; A67-F71 PolarHBondContact O-N 3.41Å; E68-F71 PolarHBondContact O-N 3.5Å; R69-F71 VanDerWaalsContact C-N 3.33Å; R69-F71 PolarHBondContact O-N 2.87Å; F71-L74 HydrophobicContact CD1-CD2 4.24Å; F71-L74 WeakPolarHBondContact O-CB 3.22Å; F71-L74 PolarHBondContact O-N 3.34Å; F71-L75 WeakPolarHBondContact O-CB 3.23Å; F71-L75 VanDerWaalsContact O-CG 3.3Å; F71-L75 WeakPolarHBondContact O-CG 3.35Å; F71-L75 PolarHBondContact O-N 2.71Å; F71-V94 HydrophobicContact CB-CG1 3.94Å; F71-V94 HydrophobicContact CG-CG1 4.32Å; F71-F98 HydrophobicContact CB-CE2 4.43Å; F71-F98 AromaticContact CD2-CE2 3.67Å; F71-F98 HydrophobicContact CD2-CE2 3.67Å; F71-F98 AromaticContact CD2-CZ 3.72Å; F71-F98 HydrophobicContact CD2-CZ 3.72Å; F71-F98 HydrophobicContact CE2-CE2 4.32Å; F71-F98 HydrophobicContact CE2-CZ 4.18Å; F71-F98 HydrophobicContact CG-CE2 4.33Å; F71-M129 HydrophobicContact CD1-CB 4.46Å; F71-M129 HydrophobicContact CD2-CE 4.32Å; F71-M129 HydrophobicContact CD2-SD 4.34Å; F71-M129 HydrophobicContact CE1-CB 3.61Å; F71-M129 HydrophobicContact CE1-CE 4.48Å; F71-M129 HydrophobicContact CE1-SD 4.27Å; F71-M129 HydrophobicContact CE2-CE 3.49Å; F71-M129 VanDerWaalsContact CE2-CE 3.49Å; F71-M129 HydrophobicContact CE2-SD 3.96Å; F71-M129 HydrophobicContact CZ-CB 3.74Å; F71-M129 HydrophobicContact CZ-CE 3.59Å; F71-M129 HydrophobicContact CZ-CG 4.44Å; F71-M129 HydrophobicContact CZ-SD 3.93Å; F71-I133 HydrophobicContact CD1-CD1 3.72Å; F71-I133 HydrophobicContact CE1-CD1 3.95Å
72	A	93.6	Very high	93.4	Very high	51 Å²	51	44.1 Å²	44.1	42%	0.421	27%	0.268	S	S	.	.	H	α-helix	trans	-64	-44.8	177	0	0	0	0	0	112.3	E68 R69 L74 L75 T76	E68-A72 VanDerWaalsContact O-CB 3.32Å; E68-A72 WeakPolarHBondContact O-CB 3.41Å; E68-A72 PolarHBondContact O-N 3.47Å; R69-A72 PolarHBondContact O-N 2.94Å; A72-L74 VanDerWaalsContact C-N 3.34Å; A72-L75 PolarHBondContact O-N 2.73Å; A72-T76 WeakPolarHBondContact O-CB 3.29Å; A72-T76 PolarHBondContact O-N 2.76Å; A72-T76 PolarHBondContact O-OG1 2.83Å
73	E	94.6	Very high	93.2	Very high	109 Å²	109	46 Å²	46	51%	0.509	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-42.9	174.1	-73.2	173.9	-167.3	0	0	110.8	R69 T76 G77	R69-E73 WeakPolarHBondContact CD-OE1 3.21Å; R69-E73 HydrophobicContact CG-CG 4.25Å; R69-E73 WeakPolarHBondContact CG-OE1 3.36Å; R69-E73 IonicContact CZ-OE1 2.65Å; R69-E73 IonicContact NH1-OE1 2.63Å; R69-E73 PolarHBondContact NH1-OE1 3.47Å; R69-E73 IonicContact NH1-OE2 2.66Å; R69-E73 WeakPolarHBondContact O-CB 3.26Å; R69-E73 WeakPolarHBondContact O-CG 3.26Å; R69-E73 PolarHBondContact O-N 3.36Å; E73-T76 PolarHBondContact O-N 3.12Å; E73-G77 PolarHBondContact O-N 3.15Å
74	L	93.6	Very high	92.9	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-51.5	176.4	174.7	63.3	0	0	0	112.2	N13 A14 F17 I70 F71 A72 T76 G77 L78 I133	N13-L74 VanDerWaalsContact C-CD1 3.43Å; A14-L74 HydrophobicContact CB-CD1 4.29Å; A14-L74 VanDerWaalsContact N-CD1 3.35Å; F17-L74 HydrophobicContact CB-CD1 4.49Å; F17-L74 HydrophobicContact CD2-CD1 3.41Å; F17-L74 VanDerWaalsContact CD2-CD1 3.41Å; F17-L74 HydrophobicContact CD2-CD2 4.09Å; F17-L74 HydrophobicContact CD2-CG 4.37Å; F17-L74 HydrophobicContact CE2-CD1 3.71Å; F17-L74 HydrophobicContact CE2-CD2 3.46Å; F17-L74 VanDerWaalsContact CE2-CD2 3.46Å; F17-L74 HydrophobicContact CE2-CG 4.22Å; F17-L74 HydrophobicContact CG-CD1 4.07Å; F17-L74 HydrophobicContact CZ-CD2 3.89Å; I70-L74 VanDerWaalsContact O-CB 3.27Å; I70-L74 WeakPolarHBondContact O-CB 3.24Å; I70-L74 PolarHBondContact O-N 2.85Å; F71-L74 HydrophobicContact CD1-CD2 4.24Å; F71-L74 WeakPolarHBondContact O-CB 3.22Å; F71-L74 PolarHBondContact O-N 3.34Å; A72-L74 VanDerWaalsContact C-N 3.34Å; L74-T76 PolarHBondContact O-N 3.45Å; L74-G77 PolarHBondContact O-N 3.34Å; L74-L78 HydrophobicContact CD1-CD1 3.88Å; L74-L78 HydrophobicContact CD1-CG 4.18Å; L74-L78 HydrophobicContact CG-CD1 4.11Å; L74-L78 WeakPolarHBondContact O-CB 3.08Å; L74-L78 WeakPolarHBondContact O-CG 3.34Å; L74-L78 PolarHBondContact O-N 2.8Å; L74-I133 HydrophobicContact CD2-CD1 3.76Å; L74-I133 HydrophobicContact CD2-CG2 4.43Å
75	L	94	Very high	92.8	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-42.3	-180	-71.1	177.8	0	0	0	111.8	F71 A72 L78 T79 F85 L87 L90 K91 V94 I133	F71-L75 WeakPolarHBondContact O-CB 3.23Å; F71-L75 VanDerWaalsContact O-CG 3.3Å; F71-L75 WeakPolarHBondContact O-CG 3.35Å; F71-L75 PolarHBondContact O-N 2.71Å; A72-L75 PolarHBondContact O-N 2.73Å; L75-L78 PolarHBondContact O-N 2.85Å; L75-T79 WeakPolarHBondContact O-CB 3.44Å; L75-T79 PolarHBondContact O-N 2.92Å; L75-T79 PolarHBondContact O-OG1 3.22Å; L75-F85 HydrophobicContact CD2-CE1 3.88Å; L75-F85 HydrophobicContact CD2-CZ 3.81Å; L75-L87 HydrophobicContact CB-CD1 3.8Å; L75-L90 HydrophobicContact CD2-CB 3.97Å; L75-K91 HydrophobicContact CD1-CB 4.2Å; L75-V94 HydrophobicContact CD1-CB 4.47Å; L75-V94 HydrophobicContact CD1-CG2 4.22Å; L75-I133 HydrophobicContact CD2-CD1 4.05Å; L75-I133 HydrophobicContact CD2-CG1 3.99Å
76	T	93.3	Very high	92.7	Very high	93 Å²	93	47.2 Å²	47.2	57%	0.571	30%	0.299	S	S	*	.	H	α-helix	trans	-64.3	-46.3	178.3	-54.8	0	0	0	0	110.8	A72 E73 L74 L78 T79 A80	A72-T76 WeakPolarHBondContact O-CB 3.29Å; A72-T76 PolarHBondContact O-N 2.76Å; A72-T76 PolarHBondContact O-OG1 2.83Å; E73-T76 PolarHBondContact O-N 3.12Å; L74-T76 PolarHBondContact O-N 3.45Å; T76-L78 PolarHBondContact O-N 2.86Å; T76-T79 PolarHBondContact O-N 3.42Å; T76-A80 PolarHBondContact O-N 3.34Å
77	G	92.6	Very high	92.6	Very high	25 Å²	25	47.2 Å²	47.2	26%	0.258	30%	0.299	S	S	.	.	H	α-helix	trans	-63	-40.8	177.6	0	0	0	0	0	113	A14 E73 L74 A80 A81	A14-G77 VanDerWaalsContact CB-C 3.45Å; E73-G77 PolarHBondContact O-N 3.15Å; L74-G77 PolarHBondContact O-N 3.34Å; G77-A80 PolarHBondContact O-N 3.44Å; G77-A81 WeakPolarHBondContact O-CB 3.42Å; G77-A81 PolarHBondContact O-N 3.41Å; G77-A81 VanDerWaalsContact O-N 3.13Å
78	L	93.3	Very high	92.5	Very high	0 Å²	0	51 Å²	51	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-67.1	-39	176.5	-75.1	173.7	0	0	0	112.1	A14 F17 L18 L74 L75 T76 A80 A81 Q82 F85 I133 V137	A14-L78 HydrophobicContact CB-CD2 3.99Å; A14-L78 HydrophobicContact CB-CG 3.85Å; F17-L78 HydrophobicContact CB-CD1 4.44Å; F17-L78 HydrophobicContact CB-CD2 3.93Å; F17-L78 HydrophobicContact CG-CD1 4.49Å; L18-L78 HydrophobicContact CD1-CD2 4.49Å; L18-L78 HydrophobicContact CD2-CD2 3.97Å; L18-L78 HydrophobicContact CG-CD2 3.88Å; L74-L78 HydrophobicContact CD1-CD1 3.88Å; L74-L78 HydrophobicContact CD1-CG 4.18Å; L74-L78 HydrophobicContact CG-CD1 4.11Å; L74-L78 WeakPolarHBondContact O-CB 3.08Å; L74-L78 WeakPolarHBondContact O-CG 3.34Å; L74-L78 PolarHBondContact O-N 2.8Å; L75-L78 PolarHBondContact O-N 2.85Å; T76-L78 PolarHBondContact O-N 2.86Å; L78-A80 VanDerWaalsContact C-N 3.3Å; L78-A80 PolarHBondContact O-N 3.34Å; L78-A81 PolarHBondContact O-N 2.98Å; L78-Q82 WeakPolarHBondContact O-CA 3.46Å; L78-Q82 VanDerWaalsContact O-CB 3.32Å; L78-Q82 WeakPolarHBondContact O-CB 3.41Å; L78-Q82 PolarHBondContact O-N 3.33Å; L78-F85 HydrophobicContact CB-CD1 4.14Å; L78-F85 HydrophobicContact CB-CD2 4.48Å; L78-F85 HydrophobicContact CB-CE1 3.93Å; L78-F85 HydrophobicContact CB-CE2 4.3Å; L78-F85 HydrophobicContact CB-CG 4.4Å; L78-F85 HydrophobicContact CB-CZ 4Å; L78-F85 HydrophobicContact CD1-CE2 4.11Å; L78-F85 HydrophobicContact CD1-CZ 3.89Å; L78-I133 HydrophobicContact CD1-CG2 3.35Å; L78-V137 HydrophobicContact CD1-CG2 3.97Å; L78-V137 HydrophobicContact CD2-CG2 3.99Å
79	T	92.3	Very high	92.4	Very high	51 Å²	51	55 Å²	55	31%	0.313	35%	0.349	S	S	.	.	H	α-helix	trans	-63.3	-39.4	176	-52	0	0	0	0	111.7	L75 T76 A81 F85 L87	L75-T79 WeakPolarHBondContact O-CB 3.44Å; L75-T79 PolarHBondContact O-N 2.92Å; L75-T79 PolarHBondContact O-OG1 3.22Å; T76-T79 PolarHBondContact O-N 3.42Å; T79-A81 VanDerWaalsContact C-N 3.34Å; T79-F85 WeakPolarHBondContact OG1-CD1 3.48Å; T79-L87 HydrophobicContact CG2-CB 4.15Å; T79-L87 HydrophobicContact CG2-CD2 3.9Å; T79-L87 WeakPolarHBondContact OG1-CB 3.39Å; T79-L87 WeakPolarHBondContact OG1-CD1 3.48Å
80	A	91.4	Very high	92.3	Very high	91 Å²	91	50 Å²	50	75%	0.752	33%	0.331	S	S	*	.	H	α-helix	trans	-68.2	-33.6	178.8	0	0	0	0	0	112.7	T76 G77 L78	T76-A80 PolarHBondContact O-N 3.34Å; G77-A80 PolarHBondContact O-N 3.44Å; L78-A80 VanDerWaalsContact C-N 3.3Å; L78-A80 PolarHBondContact O-N 3.34Å
81	A	91.1	Very high	92.3	Very high	57 Å²	57	53.7 Å²	53.7	47%	0.471	35%	0.346	S	S	.	.	H	α-helix	trans	-101.1	-21.6	-172.8	0	0	0	0	0	114.6	L18 G77 L78 T79	L18-A81 HydrophobicContact CD1-CB 3.46Å; L18-A81 VanDerWaalsContact CD1-CB 3.46Å; G77-A81 WeakPolarHBondContact O-CB 3.42Å; G77-A81 PolarHBondContact O-N 3.41Å; G77-A81 VanDerWaalsContact O-N 3.13Å; L78-A81 PolarHBondContact O-N 2.98Å; T79-A81 VanDerWaalsContact C-N 3.34Å
82	Q	90.5	Very high	92.3	Very high	23 Å²	23	57.2 Å²	57.2	11%	0.107	37%	0.368	C	S	.	.	S	Bend	trans	-120.7	101.6	-178.4	-173.2	62.2	54.3	0	0	111	L18 L78 F85 V137 A140 R141	L18-Q82 HydrophobicContact CD2-CB 4.02Å; L18-Q82 HydrophobicContact CD2-CG 4.48Å; L78-Q82 WeakPolarHBondContact O-CA 3.46Å; L78-Q82 VanDerWaalsContact O-CB 3.32Å; L78-Q82 WeakPolarHBondContact O-CB 3.41Å; L78-Q82 PolarHBondContact O-N 3.33Å; Q82-F85 HydrophobicContact CB-CB 4.34Å; Q82-F85 HydrophobicContact CG-CB 4.47Å; Q82-F85 VanDerWaalsContact O-CB 3.27Å; Q82-F85 WeakPolarHBondContact O-CB 3.13Å; Q82-F85 PolarHBondContact O-N 2.91Å; Q82-V137 HydrophobicContact CG-CG1 4.47Å; Q82-A140 HydrophobicContact CG-CB 4.11Å; Q82-R141 VanDerWaalsContact NE2-CG 3.35Å
83	P	88.3	Confident	92.4	Very high	104 Å²	104	57.1 Å²	57.1	68%	0.675	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	140.8	172.4	-23.2	33.8	0	0	0	111.5	F85	P83-F85 VanDerWaalsContact C-N 3.29Å; P83-F85 PolarHBondContact O-N 3.49Å
84	G	88.3	Confident	92.3	Very high	69 Å²	69	52.2 Å²	52.2	71%	0.711	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-2.3	-179.1	0	0	0	0	0	115
85	F	91.7	Very high	92.4	Very high	15 Å²	15	55.6 Å²	55.6	7%	0.066	35%	0.353	C	S	.	.			trans	-61.6	127.5	178.1	-177.3	-107.1	0	0	0	111.7	L75 L78 T79 Q82 P83 L87 L90 I133 V137	L75-F85 HydrophobicContact CD2-CE1 3.88Å; L75-F85 HydrophobicContact CD2-CZ 3.81Å; L78-F85 HydrophobicContact CB-CD1 4.14Å; L78-F85 HydrophobicContact CB-CD2 4.48Å; L78-F85 HydrophobicContact CB-CE1 3.93Å; L78-F85 HydrophobicContact CB-CE2 4.3Å; L78-F85 HydrophobicContact CB-CG 4.4Å; L78-F85 HydrophobicContact CB-CZ 4Å; L78-F85 HydrophobicContact CD1-CE2 4.11Å; L78-F85 HydrophobicContact CD1-CZ 3.89Å; T79-F85 WeakPolarHBondContact OG1-CD1 3.48Å; Q82-F85 HydrophobicContact CB-CB 4.34Å; Q82-F85 HydrophobicContact CG-CB 4.47Å; Q82-F85 VanDerWaalsContact O-CB 3.27Å; Q82-F85 WeakPolarHBondContact O-CB 3.13Å; Q82-F85 PolarHBondContact O-N 2.91Å; P83-F85 VanDerWaalsContact C-N 3.29Å; P83-F85 PolarHBondContact O-N 3.49Å; F85-L87 HydrophobicContact CD1-CB 4.42Å; F85-L87 PolarHBondContact O-N 2.93Å; F85-L90 HydrophobicContact CD2-CD1 4.34Å; F85-L90 HydrophobicContact CE1-CD1 3.98Å; F85-L90 HydrophobicContact CE2-CD1 3.43Å; F85-L90 VanDerWaalsContact CE2-CD1 3.43Å; F85-L90 HydrophobicContact CZ-CD1 3.23Å; F85-I133 HydrophobicContact CE2-CG2 4.4Å; F85-I133 HydrophobicContact CZ-CG2 4.19Å; F85-V137 HydrophobicContact CD2-CG2 3.83Å; F85-V137 HydrophobicContact CE2-CG2 3.63Å
86	P	91.7	Very high	92.5	Very high	36 Å²	36	60.6 Å²	60.6	23%	0.234	38%	0.377	C	S	.	.			trans	-79.6	64.5	-172.1	32.3	-36.2	0	0	0	112.7	A88 Q89 L90	P86-A88 PolarHBondContact O-N 3.47Å; P86-Q89 HydrophobicContact CB-CB 4.41Å; P86-Q89 PolarHBondContact O-N 3.28Å; P86-L90 HydrophobicContact CG-CD1 3.93Å; P86-L90 HydrophobicContact CG-CG 4.24Å; P86-L90 PolarHBondContact O-N 3.04Å
87	L	91.8	Very high	92.5	Very high	58 Å²	58	56.6 Å²	56.6	30%	0.304	35%	0.351	S	S	.	.	H	α-helix	trans	-53.3	-48.7	-175	175.9	59.7	0	0	0	113.1	L75 T79 F85 Q89 L90 K91	L75-L87 HydrophobicContact CB-CD1 3.8Å; T79-L87 HydrophobicContact CG2-CB 4.15Å; T79-L87 HydrophobicContact CG2-CD2 3.9Å; T79-L87 WeakPolarHBondContact OG1-CB 3.39Å; T79-L87 WeakPolarHBondContact OG1-CD1 3.48Å; F85-L87 HydrophobicContact CD1-CB 4.42Å; F85-L87 PolarHBondContact O-N 2.93Å; L87-Q89 PolarHBondContact O-N 3.12Å; L87-L90 PolarHBondContact O-N 3.44Å; L87-K91 HydrophobicContact CD1-CB 4.48Å; L87-K91 WeakPolarHBondContact O-CB 3.41Å; L87-K91 PolarHBondContact O-N 3.13Å
88	A	91.5	Very high	92.6	Very high	78 Å²	78	55.6 Å²	55.6	65%	0.645	34%	0.34	S	S	*	.	H	α-helix	trans	-61.1	-46.8	-175.3	0	0	0	0	0	111.7	P86 T92	P86-A88 PolarHBondContact O-N 3.47Å; A88-T92 PolarHBondContact O-N 3.43Å; A88-T92 VanDerWaalsContact O-N 3.09Å; A88-T92 PolarHBondContact O-OG1 3.06Å; A88-T92 VanDerWaalsContact O-OG1 3.06Å
89	Q	93.1	Very high	92.7	Very high	142 Å²	142	58.3 Å²	58.3	66%	0.664	36%	0.362	S	S	*	.	H	α-helix	trans	-64.5	-48.1	179.1	-177.8	-177.5	-2.4	0	0	111.6	P86 L87 T92 F93	P86-Q89 HydrophobicContact CB-CB 4.41Å; P86-Q89 PolarHBondContact O-N 3.28Å; L87-Q89 PolarHBondContact O-N 3.12Å; Q89-T92 PolarHBondContact O-N 3.06Å; Q89-F93 PolarHBondContact O-N 3.37Å
90	L	93.7	Very high	92.8	Very high	13 Å²	13	60.4 Å²	60.4	7%	0.068	37%	0.369	C	S	.	.	H	α-helix	trans	-70.1	-35.6	-178.4	-72.8	173.8	0	0	0	112.6	L75 F85 P86 L87 F93 V94 A132	L75-L90 HydrophobicContact CD2-CB 3.97Å; F85-L90 HydrophobicContact CD2-CD1 4.34Å; F85-L90 HydrophobicContact CE1-CD1 3.98Å; F85-L90 HydrophobicContact CE2-CD1 3.43Å; F85-L90 VanDerWaalsContact CE2-CD1 3.43Å; F85-L90 HydrophobicContact CZ-CD1 3.23Å; P86-L90 HydrophobicContact CG-CD1 3.93Å; P86-L90 HydrophobicContact CG-CG 4.24Å; P86-L90 PolarHBondContact O-N 3.04Å; L87-L90 PolarHBondContact O-N 3.44Å; L90-F93 PolarHBondContact O-N 3.45Å; L90-V94 WeakPolarHBondContact O-CB 3.44Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 2.86Å; L90-A132 HydrophobicContact CD2-CB 4.06Å; L90-A132 WeakPolarHBondContact CD2-O 3.28Å
91	K	93.8	Very high	92.9	Very high	103 Å²	103	56.1 Å²	56.1	45%	0.448	33%	0.333	S	S	.	.	H	α-helix	trans	-61.4	-47.9	172.8	-174.1	-175.4	-178.4	-59.1	0	110.6	L75 L87 F93 V94 D95	L75-K91 HydrophobicContact CD1-CB 4.2Å; L87-K91 HydrophobicContact CD1-CB 4.48Å; L87-K91 WeakPolarHBondContact O-CB 3.41Å; L87-K91 PolarHBondContact O-N 3.13Å; K91-F93 VanDerWaalsContact C-N 3.31Å; K91-F93 PolarHBondContact O-N 3.32Å; K91-V94 PolarHBondContact O-N 3.18Å; K91-D95 IonicContact NZ-OD1 2.83Å; K91-D95 IonicContact NZ-OD2 3.62Å; K91-D95 PolarHBondContact NZ-OD2 3.37Å; K91-D95 WeakPolarHBondContact O-CB 3.33Å; K91-D95 PolarHBondContact O-N 3.47Å
92	T	95	Very high	93	Very high	74 Å²	74	57.6 Å²	57.6	45%	0.454	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-41.8	176.2	-61.6	0	0	0	0	111.8	A88 Q89 D95 Q96	A88-T92 PolarHBondContact O-N 3.43Å; A88-T92 VanDerWaalsContact O-N 3.09Å; A88-T92 PolarHBondContact O-OG1 3.06Å; A88-T92 VanDerWaalsContact O-OG1 3.06Å; Q89-T92 PolarHBondContact O-N 3.06Å; T92-D95 PolarHBondContact O-N 3.06Å; T92-Q96 WeakPolarHBondContact O-CB 3.47Å; T92-Q96 VanDerWaalsContact O-CG 3.23Å; T92-Q96 WeakPolarHBondContact O-CG 3.48Å; T92-Q96 PolarHBondContact O-N 2.85Å
93	F	94.7	Very high	93.2	Very high	50 Å²	50	63.2 Å²	63.2	22%	0.219	36%	0.355	C	S	.	.	H	α-helix	trans	-61.3	-48.9	175.9	174.5	-104.2	0	0	0	112.3	Q89 L90 K91 D95 Q96 E97 K128 M129 A132	Q89-F93 PolarHBondContact O-N 3.37Å; L90-F93 PolarHBondContact O-N 3.45Å; K91-F93 VanDerWaalsContact C-N 3.31Å; K91-F93 PolarHBondContact O-N 3.32Å; F93-D95 PolarHBondContact O-N 3.09Å; F93-Q96 WeakPolarHBondContact O-CB 3.45Å; F93-Q96 PolarHBondContact O-N 2.82Å; F93-E97 HydrophobicContact CE1-CG 4.11Å; F93-E97 HydrophobicContact CE2-CG 4.14Å; F93-E97 HydrophobicContact CZ-CG 3.9Å; F93-E97 WeakPolarHBondContact O-CG 3.31Å; F93-E97 PolarHBondContact O-N 2.95Å; F93-K128 HydrophobicContact CZ-CD 4.45Å; F93-K128 HydrophobicContact CZ-CG 4.39Å; F93-M129 HydrophobicContact CE1-CG 4.21Å; F93-A132 HydrophobicContact CD1-CB 3.9Å; F93-A132 HydrophobicContact CE1-CB 3.53Å; F93-A132 HydrophobicContact CZ-CB 4.24Å
94	V	93.3	Very high	93.4	Very high	6 Å²	6	60.2 Å²	60.2	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-44.8	177.5	169.9	0	0	0	0	111.2	F71 L75 L90 K91 Q96 E97 F98 M129	F71-V94 HydrophobicContact CB-CG1 3.94Å; F71-V94 HydrophobicContact CG-CG1 4.32Å; L75-V94 HydrophobicContact CD1-CB 4.47Å; L75-V94 HydrophobicContact CD1-CG2 4.22Å; L90-V94 WeakPolarHBondContact O-CB 3.44Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 2.86Å; K91-V94 PolarHBondContact O-N 3.18Å; V94-Q96 VanDerWaalsContact C-N 3.29Å; V94-Q96 PolarHBondContact O-N 2.94Å; V94-E97 PolarHBondContact O-N 3.12Å; V94-F98 HydrophobicContact CG1-CD2 3.68Å; V94-F98 HydrophobicContact CG1-CE2 3.72Å; V94-F98 WeakPolarHBondContact O-CD2 3.27Å; V94-F98 PolarHBondContact O-N 3.11Å; V94-M129 HydrophobicContact CG1-SD 4.27Å; V94-M129 HydrophobicContact CG2-SD 4.33Å
95	D	94.6	Very high	93.7	Very high	75 Å²	75	57.3 Å²	57.3	40%	0.401	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-39.6	177.4	-68.5	-21.5	0	0	0	111.3	K91 T92 F93 F98 A99	K91-D95 IonicContact NZ-OD1 2.83Å; K91-D95 IonicContact NZ-OD2 3.62Å; K91-D95 PolarHBondContact NZ-OD2 3.37Å; K91-D95 WeakPolarHBondContact O-CB 3.33Å; K91-D95 PolarHBondContact O-N 3.47Å; T92-D95 PolarHBondContact O-N 3.06Å; F93-D95 PolarHBondContact O-N 3.09Å; D95-F98 PolarHBondContact O-N 3.39Å; D95-A99 WeakPolarHBondContact O-CB 3.32Å; D95-A99 PolarHBondContact O-N 3.13Å
96	Q	95.6	Very high	93.7	Very high	110 Å²	110	62 Å²	62	51%	0.514	33%	0.325	S	S	.	.	H	α-helix	trans	-66.2	-41.5	175.4	-74.6	171.6	2	0	0	112.5	T92 F93 V94 A99 Q100	T92-Q96 WeakPolarHBondContact O-CB 3.47Å; T92-Q96 VanDerWaalsContact O-CG 3.23Å; T92-Q96 WeakPolarHBondContact O-CG 3.48Å; T92-Q96 PolarHBondContact O-N 2.85Å; F93-Q96 WeakPolarHBondContact O-CB 3.45Å; F93-Q96 PolarHBondContact O-N 2.82Å; V94-Q96 VanDerWaalsContact C-N 3.29Å; V94-Q96 PolarHBondContact O-N 2.94Å; Q96-A99 PolarHBondContact O-N 3.36Å; Q96-Q100 WeakPolarHBondContact O-CG 3.41Å; Q96-Q100 PolarHBondContact O-N 2.83Å
97	E	94.9	Very high	93.6	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-44.3	175.8	-70.4	-67.5	146.3	0	0	111	F93 V94 Q100 I101 R125 K128 M129	F93-E97 HydrophobicContact CE1-CG 4.11Å; F93-E97 HydrophobicContact CE2-CG 4.14Å; F93-E97 HydrophobicContact CZ-CG 3.9Å; F93-E97 WeakPolarHBondContact O-CG 3.31Å; F93-E97 PolarHBondContact O-N 2.95Å; V94-E97 PolarHBondContact O-N 3.12Å; E97-Q100 PolarHBondContact O-N 3.31Å; E97-I101 WeakPolarHBondContact O-CG1 3.47Å; E97-I101 PolarHBondContact O-N 2.68Å; E97-R125 PolarHBondContact O-NH1 2.9Å; E97-R125 VanDerWaalsContact O-NH1 3.15Å; E97-R125 IonicContact OE2-CZ 2.72Å; E97-R125 IonicContact OE2-NH1 2.68Å; E97-R125 PolarHBondContact OE2-NH1 2.74Å; E97-K128 IonicContact OE1-NZ 3.84Å; E97-K128 PolarHBondContact OE1-NZ 2.84Å; E97-K128 IonicContact OE2-NZ 3.53Å; E97-M129 HydrophobicContact CB-CG 4.39Å; E97-M129 HydrophobicContact CB-SD 3.99Å; E97-M129 HydrophobicContact CG-CG 4.24Å; E97-M129 HydrophobicContact CG-SD 4.48Å
98	F	94.5	Very high	93.6	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-66.5	-36.6	174.9	-84.2	-74	0	0	0	113.2	A67 E68 F71 V94 D95 Q100 I101 K102 M129	A67-F98 HydrophobicContact CB-CE1 3.76Å; A67-F98 HydrophobicContact CB-CZ 3.82Å; E68-F98 HydrophobicContact CG-CB 4.34Å; E68-F98 HydrophobicContact CG-CD1 3.57Å; E68-F98 HydrophobicContact CG-CD2 3.92Å; E68-F98 HydrophobicContact CG-CE1 3.73Å; E68-F98 HydrophobicContact CG-CE2 4.07Å; E68-F98 HydrophobicContact CG-CG 3.68Å; E68-F98 HydrophobicContact CG-CZ 3.98Å; F71-F98 HydrophobicContact CB-CE2 4.43Å; F71-F98 AromaticContact CD2-CE2 3.67Å; F71-F98 HydrophobicContact CD2-CE2 3.67Å; F71-F98 AromaticContact CD2-CZ 3.72Å; F71-F98 HydrophobicContact CD2-CZ 3.72Å; F71-F98 HydrophobicContact CE2-CE2 4.32Å; F71-F98 HydrophobicContact CE2-CZ 4.18Å; F71-F98 HydrophobicContact CG-CE2 4.33Å; V94-F98 HydrophobicContact CG1-CD2 3.68Å; V94-F98 HydrophobicContact CG1-CE2 3.72Å; V94-F98 WeakPolarHBondContact O-CD2 3.27Å; V94-F98 PolarHBondContact O-N 3.11Å; D95-F98 PolarHBondContact O-N 3.39Å; F98-Q100 VanDerWaalsContact C-N 3.31Å; F98-Q100 PolarHBondContact O-N 2.72Å; F98-I101 HydrophobicContact CD1-CD1 4.13Å; F98-I101 HydrophobicContact CE1-CD1 4.38Å; F98-I101 PolarHBondContact O-N 2.99Å; F98-K102 WeakPolarHBondContact O-CG 3.25Å; F98-K102 PolarHBondContact O-N 3.47Å; F98-M129 HydrophobicContact CE2-CE 4.49Å; F98-M129 HydrophobicContact CE2-SD 4.2Å
99	A	94.4	Very high	93.6	Very high	57 Å²	57	58.9 Å²	58.9	47%	0.471	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-41.8	173.8	0	0	0	0	0	111.7	D95 Q96 K102 H103	D95-A99 WeakPolarHBondContact O-CB 3.32Å; D95-A99 PolarHBondContact O-N 3.13Å; Q96-A99 PolarHBondContact O-N 3.36Å; A99-K102 PolarHBondContact O-N 3.29Å; A99-H103 WeakPolarHBondContact O-CB 3.06Å; A99-H103 PolarHBondContact O-N 2.7Å
100	Q	94.3	Very high	93.5	Very high	95 Å²	95	58.2 Å²	58.2	44%	0.444	31%	0.308	S	S	.	.	H	α-helix	trans	-67.9	-40.9	174.3	-72.1	-179.2	4.1	0	0	112.5	Q96 E97 F98 K102 H103 V104	Q96-Q100 WeakPolarHBondContact O-CG 3.41Å; Q96-Q100 PolarHBondContact O-N 2.83Å; E97-Q100 PolarHBondContact O-N 3.31Å; F98-Q100 VanDerWaalsContact C-N 3.31Å; F98-Q100 PolarHBondContact O-N 2.72Å; Q100-K102 VanDerWaalsContact C-N 3.32Å; Q100-K102 PolarHBondContact O-N 2.96Å; Q100-H103 WeakPolarHBondContact O-CB 3.19Å; Q100-H103 PolarHBondContact O-N 3.19Å; Q100-V104 WeakPolarHBondContact O-CG2 3.42Å; Q100-V104 PolarHBondContact O-N 2.82Å
101	I	94	Very high	93.3	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-55.1	-50.4	173.3	-71.3	164.9	0	0	0	109.8	L47 M50 E97 F98 H103 V104 L105 L122 R125	L47-I101 HydrophobicContact CD2-CD1 3.93Å; M50-I101 HydrophobicContact SD-CG2 4.13Å; E97-I101 WeakPolarHBondContact O-CG1 3.47Å; E97-I101 PolarHBondContact O-N 2.68Å; F98-I101 HydrophobicContact CD1-CD1 4.13Å; F98-I101 HydrophobicContact CE1-CD1 4.38Å; F98-I101 PolarHBondContact O-N 2.99Å; I101-H103 VanDerWaalsContact C-N 3.3Å; I101-H103 PolarHBondContact O-N 2.94Å; I101-V104 PolarHBondContact O-N 2.9Å; I101-L105 HydrophobicContact CG2-CD1 3.68Å; I101-L105 HydrophobicContact CG2-CG 4.18Å; I101-L105 WeakPolarHBondContact O-CB 3.24Å; I101-L105 VanDerWaalsContact O-CG 3.27Å; I101-L105 WeakPolarHBondContact O-CG 3.32Å; I101-L105 PolarHBondContact O-N 3.46Å; I101-L122 HydrophobicContact CB-CD2 4.33Å; I101-L122 HydrophobicContact CG1-CD2 4.04Å; I101-L122 HydrophobicContact CG2-CD2 4.21Å; I101-R125 HydrophobicContact CD1-CB 4.36Å
102	K	94.2	Very high	93	Very high	88 Å²	88	60.4 Å²	60.4	38%	0.383	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-41.4	177.5	-72	170.3	-176.6	171.3	0	112	I64 E68 F98 A99 Q100 L105 H106	I64-K102 HydrophobicContact CD1-CG 4.4Å; I64-K102 VanDerWaalsContact CG2-CE 3.45Å; I64-K102 HydrophobicContact CG2-CG 4.42Å; E68-K102 VanDerWaalsContact OE1-CE 3.25Å; E68-K102 WeakPolarHBondContact OE1-CE 2.96Å; E68-K102 IonicContact OE1-NZ 3.84Å; E68-K102 PolarHBondContact OE1-NZ 2.91Å; E68-K102 IonicContact OE2-NZ 2.79Å; F98-K102 WeakPolarHBondContact O-CG 3.25Å; F98-K102 PolarHBondContact O-N 3.47Å; A99-K102 PolarHBondContact O-N 3.29Å; Q100-K102 VanDerWaalsContact C-N 3.32Å; Q100-K102 PolarHBondContact O-N 2.96Å; K102-L105 PolarHBondContact O-N 3.24Å; K102-H106 WeakPolarHBondContact O-CB 3.4Å; K102-H106 PolarHBondContact O-N 2.81Å
103	H	94	Very high	92.8	Very high	142 Å²	142	62.8 Å²	62.8	66%	0.657	34%	0.341	S	S	*	.	H	α-helix	trans	-63.7	-45.2	177.9	-172.3	71.6	0	0	0	112.3	A99 Q100 I101 H106 G107	A99-H103 WeakPolarHBondContact O-CB 3.06Å; A99-H103 PolarHBondContact O-N 2.7Å; Q100-H103 WeakPolarHBondContact O-CB 3.19Å; Q100-H103 PolarHBondContact O-N 3.19Å; I101-H103 VanDerWaalsContact C-N 3.3Å; I101-H103 PolarHBondContact O-N 2.94Å; H103-H106 WeakPolarHBondContact O-CB 3.25Å; H103-H106 PolarHBondContact O-N 3.05Å; H103-G107 PolarHBondContact O-N 3.14Å; H103-G107 VanDerWaalsContact O-N 3.11Å
104	V	93.2	Very high	92.7	Very high	40 Å²	40	61.4 Å²	61.4	24%	0.242	34%	0.337	C	S	.	.	H	α-helix	trans	-67.4	-42.6	177.7	177	0	0	0	0	111.1	Q100 I101 H106 G107 I108 I118 L122	Q100-V104 WeakPolarHBondContact O-CG2 3.42Å; Q100-V104 PolarHBondContact O-N 2.82Å; I101-V104 PolarHBondContact O-N 2.9Å; V104-H106 VanDerWaalsContact C-N 3.28Å; V104-H106 PolarHBondContact O-N 2.66Å; V104-G107 CarbonylContact O-C 3.58Å; V104-G107 WeakPolarHBondContact O-CA 3.44Å; V104-G107 PolarHBondContact O-N 2.91Å; V104-I108 HydrophobicContact CG1-CD1 4.05Å; V104-I108 WeakPolarHBondContact O-CG1 3.45Å; V104-I108 PolarHBondContact O-N 3.36Å; V104-I118 HydrophobicContact CG1-CG2 3.36Å; V104-L122 HydrophobicContact CB-CD2 4.18Å; V104-L122 HydrophobicContact CG1-CD1 3.78Å; V104-L122 HydrophobicContact CG1-CD2 4.14Å; V104-L122 HydrophobicContact CG1-CG 4.05Å
105	L	92.8	Very high	92.7	Very high	9 Å²	9	63.9 Å²	63.9	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-38.3	175.1	-70.5	173.5	0	0	0	111.7	M50 I51 T54 I64 I101 K102 G107 I108 S109 L122	M50-L105 HydrophobicContact CB-CD1 3.98Å; M50-L105 HydrophobicContact CB-CD2 4.11Å; M50-L105 HydrophobicContact CG-CD1 4.35Å; M50-L105 HydrophobicContact SD-CD1 4.16Å; I51-L105 HydrophobicContact CG1-CD2 4.42Å; T54-L105 WeakPolarHBondContact CG2-O 3.14Å; I64-L105 HydrophobicContact CD1-CD1 3.81Å; I64-L105 HydrophobicContact CG1-CD1 4.22Å; I101-L105 HydrophobicContact CG2-CD1 3.68Å; I101-L105 HydrophobicContact CG2-CG 4.18Å; I101-L105 WeakPolarHBondContact O-CB 3.24Å; I101-L105 VanDerWaalsContact O-CG 3.27Å; I101-L105 WeakPolarHBondContact O-CG 3.32Å; I101-L105 PolarHBondContact O-N 3.46Å; K102-L105 PolarHBondContact O-N 3.24Å; L105-G107 VanDerWaalsContact C-N 3.34Å; L105-G107 PolarHBondContact O-N 2.83Å; L105-I108 HydrophobicContact CD2-CD1 4.26Å; L105-I108 PolarHBondContact O-N 3.43Å; L105-S109 WeakPolarHBondContact O-CB 3.35Å; L105-S109 PolarHBondContact O-N 3.25Å; L105-L122 HydrophobicContact CD2-CD1 4.34Å
106	H	91.7	Very high	92.6	Very high	114 Å²	114	63.5 Å²	63.5	53%	0.528	35%	0.351	S	S	.	.	H	α-helix	trans	-61	-43.3	172.2	-175.2	59.6	0	0	0	111.7	K102 H103 V104 I108 S109 L110	K102-H106 WeakPolarHBondContact O-CB 3.4Å; K102-H106 PolarHBondContact O-N 2.81Å; H103-H106 WeakPolarHBondContact O-CB 3.25Å; H103-H106 PolarHBondContact O-N 3.05Å; V104-H106 VanDerWaalsContact C-N 3.28Å; V104-H106 PolarHBondContact O-N 2.66Å; H106-I108 PolarHBondContact O-N 3.38Å; H106-S109 WeakPolarHBondContact O-CB 3.44Å; H106-S109 PolarHBondContact O-N 3.12Å; H106-L110 WeakPolarHBondContact O-CG 3.29Å; H106-L110 PolarHBondContact O-N 2.89Å
107	G	91.1	Very high	92.4	Very high	29 Å²	29	60.3 Å²	60.3	30%	0.299	34%	0.341	S	S	.	.	H	α-helix	trans	-59.5	-42.9	172.8	0	0	0	0	0	113.4	H103 V104 L105 S109 L110 L111	H103-G107 PolarHBondContact O-N 3.14Å; H103-G107 VanDerWaalsContact O-N 3.11Å; V104-G107 CarbonylContact O-C 3.58Å; V104-G107 WeakPolarHBondContact O-CA 3.44Å; V104-G107 PolarHBondContact O-N 2.91Å; L105-G107 VanDerWaalsContact C-N 3.34Å; L105-G107 PolarHBondContact O-N 2.83Å; G107-S109 VanDerWaalsContact C-N 3.34Å; G107-S109 PolarHBondContact O-N 3.36Å; G107-L110 PolarHBondContact O-N 3.17Å; G107-L111 WeakPolarHBondContact O-CG 3.33Å; G107-L111 PolarHBondContact O-N 2.7Å; G107-L111 VanDerWaalsContact O-N 3.13Å
108	I	91.9	Very high	92.3	Very high	4 Å²	4	63 Å²	63	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-42.1	175.5	-66.6	164.2	0	0	0	110.6	T54 I55 V104 L105 H106 L110 L111 G112 C114 I118 L122	T54-I108 HydrophobicContact CG2-CB 4.13Å; T54-I108 HydrophobicContact CG2-CG2 3.88Å; I55-I108 HydrophobicContact CG1-CG2 3.87Å; V104-I108 HydrophobicContact CG1-CD1 4.05Å; V104-I108 WeakPolarHBondContact O-CG1 3.45Å; V104-I108 PolarHBondContact O-N 3.36Å; L105-I108 HydrophobicContact CD2-CD1 4.26Å; L105-I108 PolarHBondContact O-N 3.43Å; H106-I108 PolarHBondContact O-N 3.38Å; I108-L110 VanDerWaalsContact C-N 3.31Å; I108-L110 PolarHBondContact O-N 3.15Å; I108-L111 PolarHBondContact O-N 3.08Å; I108-G112 PolarHBondContact O-N 2.9Å; I108-C114 HydrophobicContact CD1-CB 4.05Å; I108-C114 WeakPolarHBondContact CD1-SG 3.45Å; I108-C114 HydrophobicContact CG1-CB 4.12Å; I108-C114 HydrophobicContact CG2-CB 4.01Å; I108-I118 HydrophobicContact CD1-CG2 4.2Å; I108-L122 HydrophobicContact CD1-CD1 3.64Å
109	S	91	Very high	92.3	Very high	73 Å²	73	64.5 Å²	64.5	51%	0.51	36%	0.363	S	S	.	.	H	α-helix	trans	-61.4	-38.8	177.1	-179.2	0	0	0	0	112.3	L105 H106 G107	L105-S109 WeakPolarHBondContact O-CB 3.35Å; L105-S109 PolarHBondContact O-N 3.25Å; H106-S109 WeakPolarHBondContact O-CB 3.44Å; H106-S109 PolarHBondContact O-N 3.12Å; G107-S109 VanDerWaalsContact C-N 3.34Å; G107-S109 PolarHBondContact O-N 3.36Å
110	L	90.9	Very high	92.2	Very high	128 Å²	128	61.8 Å²	61.8	67%	0.67	34%	0.341	S	S	*	.	H	α-helix	trans	-68.5	-37.1	176.7	-69.3	173.7	0	0	0	112.8	H106 G107 I108	H106-L110 WeakPolarHBondContact O-CG 3.29Å; H106-L110 PolarHBondContact O-N 2.89Å; G107-L110 PolarHBondContact O-N 3.17Å; I108-L110 VanDerWaalsContact C-N 3.31Å; I108-L110 PolarHBondContact O-N 3.15Å
111	L	89.7	Confident	92.1	Very high	118 Å²	118	59 Å²	59	62%	0.618	33%	0.334	S	S	*	.	H	α-helix	trans	-85.1	-21.4	-178.8	-66.9	174.3	0	0	0	113.3	G107 I108 Q113	G107-L111 WeakPolarHBondContact O-CG 3.33Å; G107-L111 PolarHBondContact O-N 2.7Å; G107-L111 VanDerWaalsContact O-N 3.13Å; I108-L111 PolarHBondContact O-N 3.08Å; L111-Q113 HydrophobicContact CB-CG 4.08Å; L111-Q113 PolarHBondContact O-N 3.02Å
112	G	87.7	Confident	92	Very high	44 Å²	44	59.1 Å²	59.1	45%	0.454	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	11	-172.2	0	0	0	0	0	114.1	I108	I108-G112 PolarHBondContact O-N 2.9Å
113	Q	90.7	Very high	91.9	Very high	124 Å²	124	55.5 Å²	55.5	58%	0.579	32%	0.319	S	S	*	.			trans	-149.6	150.5	-178.6	62.1	179	6.4	0	0	110.8	L111	L111-Q113 HydrophobicContact CB-CG 4.08Å; L111-Q113 PolarHBondContact O-N 3.02Å
114	C	91.7	Very high	91.8	Very high	20 Å²	20	49.2 Å²	49.2	14%	0.135	29%	0.291	C	S	.	.			trans	-117.4	112.3	175.5	-173.4	0	0	0	0	109.4	I51 I55 I108	I51-C114 HydrophobicContact CG2-CB 3.9Å; I55-C114 HydrophobicContact CD1-CB 3.7Å; I55-C114 HydrophobicContact CG1-CB 4.25Å; I108-C114 HydrophobicContact CD1-CB 4.05Å; I108-C114 WeakPolarHBondContact CD1-SG 3.45Å; I108-C114 HydrophobicContact CG1-CB 4.12Å; I108-C114 HydrophobicContact CG2-CB 4.01Å
115	P	92.9	Very high	91.8	Very high	59 Å²	59	48.7 Å²	48.7	38%	0.383	29%	0.285	S	S	.	.			trans	-60.1	145.5	171.3	-22	33	0	0	0	111.6	S117 I118 N119	P115-S117 PolarHBondContact O-N 3.05Å; P115-I118 HydrophobicContact CB-CG1 4.2Å; P115-I118 HydrophobicContact CG-CG1 4.23Å; P115-I118 WeakPolarHBondContact O-CA 3.36Å; P115-I118 WeakPolarHBondContact O-CB 3.43Å; P115-I118 PolarHBondContact O-N 3.4Å; P115-N119 PolarHBondContact O-N 3.02Å
116	D	92.6	Very high	91.8	Very high	66 Å²	66	48.3 Å²	48.3	35%	0.353	28%	0.283	S	S	.	.	H	α-helix	trans	-61.3	-30.3	-175	-70.3	-32.3	0	0	0	114.1	N119 A120 H159 L161	D116-N119 PolarHBondContact O-N 3.46Å; D116-A120 WeakPolarHBondContact O-CB 3.09Å; D116-A120 PolarHBondContact O-N 3.35Å; D116-H159 IonicContact OD2-CE1 3.59Å; D116-H159 PolarHBondContact OD2-CE1 2.92Å; D116-H159 IonicContact OD2-NE2 2.99Å; D116-L161 HydrophobicContact CB-CD1 4.19Å; D116-L161 HydrophobicContact CB-CG 4.09Å; D116-L161 WeakPolarHBondContact OD1-CD1 3.48Å
117	S	92.8	Very high	91.9	Very high	44 Å²	44	43.1 Å²	43.1	31%	0.308	26%	0.259	S	S	.	.	H	α-helix	trans	-66	-38.9	173.3	57.3	0	0	0	0	112.5	P115 A121	P115-S117 PolarHBondContact O-N 3.05Å; S117-A121 WeakPolarHBondContact O-CB 3.43Å; S117-A121 PolarHBondContact O-N 3.23Å; S117-A121 VanDerWaalsContact O-N 3.14Å
118	I	93	Very high	92	Very high	64 Å²	64	46.4 Å²	46.4	33%	0.328	27%	0.265	S	S	.	.	H	α-helix	trans	-72	-39.3	175.9	-58.6	-58.6	0	0	0	110.4	V104 I108 P115 A121 L122	V104-I118 HydrophobicContact CG1-CG2 3.36Å; I108-I118 HydrophobicContact CD1-CG2 4.2Å; P115-I118 HydrophobicContact CB-CG1 4.2Å; P115-I118 HydrophobicContact CG-CG1 4.23Å; P115-I118 WeakPolarHBondContact O-CA 3.36Å; P115-I118 WeakPolarHBondContact O-CB 3.43Å; P115-I118 PolarHBondContact O-N 3.4Å; I118-A121 PolarHBondContact O-N 3.06Å; I118-L122 HydrophobicContact CG2-CD1 4.33Å; I118-L122 PolarHBondContact O-N 2.98Å
119	N	93	Very high	92.2	Very high	35 Å²	35	46.3 Å²	46.3	19%	0.187	26%	0.264	C	S	.	.	H	α-helix	trans	-58	-52.7	174.1	-171.5	-21.8	0	0	0	110.6	I51 P115 D116 A121 L122 I123 L161	I51-N119 WeakPolarHBondContact CD1-OD1 3.47Å; P115-N119 PolarHBondContact O-N 3.02Å; D116-N119 PolarHBondContact O-N 3.46Å; N119-A121 VanDerWaalsContact C-N 3.3Å; N119-A121 PolarHBondContact O-N 3.18Å; N119-L122 PolarHBondContact O-N 3.34Å; N119-I123 WeakPolarHBondContact O-CG1 3.32Å; N119-I123 PolarHBondContact O-N 3.33Å; N119-I123 WeakPolarHBondContact OD1-CG2 3.41Å; N119-L161 HydrophobicContact CB-CD2 4.18Å
120	A	92.7	Very high	92.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-52.4	-46.4	175.6	0	0	0	0	0	112.4	D116 L122 I123 C124 L161 L199 V201	D116-A120 WeakPolarHBondContact O-CB 3.09Å; D116-A120 PolarHBondContact O-N 3.35Å; A120-L122 VanDerWaalsContact C-N 3.29Å; A120-L122 PolarHBondContact O-N 3.49Å; A120-I123 WeakPolarHBondContact O-CG1 3.46Å; A120-C124 PolarHBondContact O-SG 3.28Å; A120-L161 HydrophobicContact CB-CD2 4.16Å; A120-L199 HydrophobicContact CB-CD2 4.03Å; A120-V201 HydrophobicContact CB-CG1 4.08Å; A120-V201 HydrophobicContact CB-CG2 4.37Å
121	A	92.5	Very high	92.7	Very high	37 Å²	37	37 Å²	37	31%	0.306	21%	0.21	S	C	.	.	H	α-helix	trans	-69.7	-20.4	-179.9	0	0	0	0	0	114.6	S117 I118 N119 R125	S117-A121 WeakPolarHBondContact O-CB 3.43Å; S117-A121 PolarHBondContact O-N 3.23Å; S117-A121 VanDerWaalsContact O-N 3.14Å; I118-A121 PolarHBondContact O-N 3.06Å; N119-A121 VanDerWaalsContact C-N 3.3Å; N119-A121 PolarHBondContact O-N 3.18Å; A121-R125 WeakPolarHBondContact O-CG 3.24Å
122	L	92.7	Very high	92.9	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-86.3	-49.3	175.6	-81.5	173.7	0	0	0	111.7	I51 I101 V104 L105 I108 I118 N119 A120 C124 R125	I51-L122 HydrophobicContact CD1-CB 3.87Å; I51-L122 HydrophobicContact CD1-CD1 3.94Å; I51-L122 HydrophobicContact CG1-CD1 3.79Å; I101-L122 HydrophobicContact CB-CD2 4.33Å; I101-L122 HydrophobicContact CG1-CD2 4.04Å; I101-L122 HydrophobicContact CG2-CD2 4.21Å; V104-L122 HydrophobicContact CB-CD2 4.18Å; V104-L122 HydrophobicContact CG1-CD1 3.78Å; V104-L122 HydrophobicContact CG1-CD2 4.14Å; V104-L122 HydrophobicContact CG1-CG 4.05Å; L105-L122 HydrophobicContact CD2-CD1 4.34Å; I108-L122 HydrophobicContact CD1-CD1 3.64Å; I118-L122 HydrophobicContact CG2-CD1 4.33Å; I118-L122 PolarHBondContact O-N 2.98Å; N119-L122 PolarHBondContact O-N 3.34Å; A120-L122 VanDerWaalsContact C-N 3.29Å; A120-L122 PolarHBondContact O-N 3.49Å; L122-C124 PolarHBondContact O-N 2.9Å; L122-R125 PolarHBondContact O-N 3.49Å
123	I	92.1	Very high	93.3	Very high	12 Å²	12	30.5 Å²	30.5	6%	0.062	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-24.7	-172	62.1	-179.6	0	0	0	113.5	V48 I51 N119 A120 L161 F190 V201	V48-I123 HydrophobicContact CG2-CG2 3.78Å; I51-I123 HydrophobicContact CD1-CG2 3.75Å; N119-I123 WeakPolarHBondContact O-CG1 3.32Å; N119-I123 PolarHBondContact O-N 3.33Å; N119-I123 WeakPolarHBondContact OD1-CG2 3.41Å; A120-I123 WeakPolarHBondContact O-CG1 3.46Å; I123-L161 HydrophobicContact CD1-CD2 4.29Å; I123-F190 HydrophobicContact CB-CE1 4.43Å; I123-F190 HydrophobicContact CD1-CE1 3.71Å; I123-F190 HydrophobicContact CD1-CZ 3.74Å; I123-F190 HydrophobicContact CG1-CE1 3.79Å; I123-F190 HydrophobicContact CG1-CZ 4.35Å; I123-V201 HydrophobicContact CD1-CG1 4.04Å; I123-V201 HydrophobicContact CD1-CG2 4.05Å; I123-V201 HydrophobicContact CG1-CG1 4.09Å
124	C	90.9	Very high	93.6	Very high	9 Å²	9	24.6 Å²	24.6	6%	0.061	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.1	-179.2	71.1	0	0	0	0	115.2	A120 L122 G126 E127 K128 F190 T191 L199 V201	A120-C124 PolarHBondContact O-SG 3.28Å; L122-C124 PolarHBondContact O-N 2.9Å; C124-G126 PolarHBondContact O-N 3.49Å; C124-E127 WeakPolarHBondContact CA-OE2 3.47Å; C124-E127 PolarHBondContact O-N 2.84Å; C124-K128 PolarHBondContact O-N 3.15Å; C124-F190 HydrophobicContact CB-CD1 4.44Å; C124-T191 HydrophobicContact CB-CG2 3.17Å; C124-L199 VanDerWaalsContact SG-CD1 3.53Å; C124-V201 HydrophobicContact CB-CG1 4.33Å
125	R	92.8	Very high	93.8	Very high	30 Å²	30	24.1 Å²	24.1	11%	0.113	14%	0.138	C	C	.	.	H	α-helix	trans	-65.1	-26.7	-176.9	-75.1	-177.4	175.7	-116.3	6.8	112.6	E97 I101 A121 L122 E127 K128 M129	E97-R125 PolarHBondContact O-NH1 2.9Å; E97-R125 VanDerWaalsContact O-NH1 3.15Å; E97-R125 IonicContact OE2-CZ 2.72Å; E97-R125 IonicContact OE2-NH1 2.68Å; E97-R125 PolarHBondContact OE2-NH1 2.74Å; I101-R125 HydrophobicContact CD1-CB 4.36Å; A121-R125 WeakPolarHBondContact O-CG 3.24Å; L122-R125 PolarHBondContact O-N 3.49Å; R125-E127 PolarHBondContact O-N 2.93Å; R125-K128 PolarHBondContact O-N 3.33Å; R125-M129 HydrophobicContact CB-CE 4.23Å; R125-M129 WeakPolarHBondContact O-CE 3.35Å; R125-M129 WeakPolarHBondContact O-CG 3.37Å; R125-M129 PolarHBondContact O-N 3.25Å
126	G	93	Very high	93.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.9	-46.1	176.3	0	0	0	0	0	112.5	C124 M129 S130	C124-G126 PolarHBondContact O-N 3.49Å; G126-M129 PolarHBondContact O-N 2.92Å; G126-S130 PolarHBondContact O-N 2.95Å; G126-S130 PolarHBondContact O-OG 3.02Å
127	E	94.5	Very high	94	Very high	5 Å²	5	18.3 Å²	18.3	2%	0.023	10%	0.104	C	C	.	.	H	α-helix	trans	-63.6	-43.4	177.7	-70.6	70.4	-162.7	0	0	111.6	A39 C124 R125 M129 S130 I131 A188 F190	A39-E127 HydrophobicContact CB-CG 4.49Å; A39-E127 WeakPolarHBondContact CB-OE1 3.29Å; A39-E127 PolarHBondContact N-OE1 2.78Å; C124-E127 WeakPolarHBondContact CA-OE2 3.47Å; C124-E127 PolarHBondContact O-N 2.84Å; R125-E127 PolarHBondContact O-N 2.93Å; E127-M129 VanDerWaalsContact C-N 3.31Å; E127-M129 PolarHBondContact O-N 3.21Å; E127-S130 WeakPolarHBondContact O-CB 3.32Å; E127-S130 PolarHBondContact O-N 2.79Å; E127-I131 WeakPolarHBondContact O-CG1 3.14Å; E127-I131 PolarHBondContact O-N 2.98Å; E127-A188 HydrophobicContact CB-CB 4.01Å; E127-F190 HydrophobicContact CG-CB 4.4Å
128	K	94	Very high	94.2	Very high	99 Å²	99	16.2 Å²	16.2	43%	0.43	9%	0.09	S	C	.	.	H	α-helix	trans	-57.7	-45.1	176.9	-171.5	-172.7	-179	-167	0	111.2	F93 E97 C124 R125 I131 A132	F93-K128 HydrophobicContact CZ-CD 4.45Å; F93-K128 HydrophobicContact CZ-CG 4.39Å; E97-K128 IonicContact OE1-NZ 3.84Å; E97-K128 PolarHBondContact OE1-NZ 2.84Å; E97-K128 IonicContact OE2-NZ 3.53Å; C124-K128 PolarHBondContact O-N 3.15Å; R125-K128 PolarHBondContact O-N 3.33Å; K128-I131 PolarHBondContact O-N 3.35Å; K128-A132 PolarHBondContact O-N 3.48Å
129	M	95	Very high	94.3	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-67.9	-40.5	176.9	-69.4	-177.4	-77.9	0	0	112.4	F71 F93 V94 E97 F98 R125 G126 E127 I131 A132 I133	F71-M129 HydrophobicContact CD1-CB 4.46Å; F71-M129 HydrophobicContact CD2-CE 4.32Å; F71-M129 HydrophobicContact CD2-SD 4.34Å; F71-M129 HydrophobicContact CE1-CB 3.61Å; F71-M129 HydrophobicContact CE1-CE 4.48Å; F71-M129 HydrophobicContact CE1-SD 4.27Å; F71-M129 HydrophobicContact CE2-CE 3.49Å; F71-M129 VanDerWaalsContact CE2-CE 3.49Å; F71-M129 HydrophobicContact CE2-SD 3.96Å; F71-M129 HydrophobicContact CZ-CB 3.74Å; F71-M129 HydrophobicContact CZ-CE 3.59Å; F71-M129 HydrophobicContact CZ-CG 4.44Å; F71-M129 HydrophobicContact CZ-SD 3.93Å; F93-M129 HydrophobicContact CE1-CG 4.21Å; V94-M129 HydrophobicContact CG1-SD 4.27Å; V94-M129 HydrophobicContact CG2-SD 4.33Å; E97-M129 HydrophobicContact CB-CG 4.39Å; E97-M129 HydrophobicContact CB-SD 3.99Å; E97-M129 HydrophobicContact CG-CG 4.24Å; E97-M129 HydrophobicContact CG-SD 4.48Å; F98-M129 HydrophobicContact CE2-CE 4.49Å; F98-M129 HydrophobicContact CE2-SD 4.2Å; R125-M129 HydrophobicContact CB-CE 4.23Å; R125-M129 WeakPolarHBondContact O-CE 3.35Å; R125-M129 WeakPolarHBondContact O-CG 3.37Å; R125-M129 PolarHBondContact O-N 3.25Å; G126-M129 PolarHBondContact O-N 2.92Å; E127-M129 VanDerWaalsContact C-N 3.31Å; E127-M129 PolarHBondContact O-N 3.21Å; M129-I131 VanDerWaalsContact C-N 3.27Å; M129-I131 PolarHBondContact O-N 3.36Å; M129-A132 PolarHBondContact O-N 2.99Å; M129-I133 VanDerWaalsContact O-CG1 3.28Å; M129-I133 WeakPolarHBondContact O-CG1 3.45Å; M129-I133 PolarHBondContact O-N 2.92Å
130	S	95.5	Very high	94.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-54.8	-43.4	173.9	-74.2	0	0	0	0	112.3	S38 P40 G126 E127 I133 M134	S38-S130 WeakPolarHBondContact O-CB 3.3Å; S38-S130 PolarHBondContact O-OG 3.36Å; P40-S130 WeakPolarHBondContact CD-OG 3.42Å; G126-S130 PolarHBondContact O-N 2.95Å; G126-S130 PolarHBondContact O-OG 3.02Å; E127-S130 WeakPolarHBondContact O-CB 3.32Å; E127-S130 PolarHBondContact O-N 2.79Å; S130-I133 PolarHBondContact O-N 3.46Å; S130-M134 WeakPolarHBondContact O-CB 3.19Å; S130-M134 PolarHBondContact O-N 2.96Å
131	I	96.3	Very high	94.3	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.036	11%	0.11	C	C	.	.	H	α-helix	trans	-67.9	-45	-178.3	-67.9	-70.8	0	0	0	111.5	L37 E127 K128 M129 I133 M134 A135 V147 L186 M187 A188	L37-I131 HydrophobicContact CB-CD1 3.81Å; L37-I131 HydrophobicContact CB-CG1 4.4Å; L37-I131 HydrophobicContact CD1-CD1 3.91Å; L37-I131 HydrophobicContact CG-CD1 3.81Å; E127-I131 WeakPolarHBondContact O-CG1 3.14Å; E127-I131 PolarHBondContact O-N 2.98Å; K128-I131 PolarHBondContact O-N 3.35Å; M129-I131 VanDerWaalsContact C-N 3.27Å; M129-I131 PolarHBondContact O-N 3.36Å; I131-I133 VanDerWaalsContact C-N 3.31Å; I131-I133 PolarHBondContact O-N 2.89Å; I131-M134 PolarHBondContact O-N 3.31Å; I131-A135 WeakPolarHBondContact O-CB 3.44Å; I131-A135 PolarHBondContact O-N 3.24Å; I131-V147 HydrophobicContact CG2-CG1 3.62Å; I131-V147 HydrophobicContact CG2-CG2 4.13Å; I131-L186 HydrophobicContact CD1-CB 4.01Å; I131-L186 HydrophobicContact CG2-CB 4.06Å; I131-L186 HydrophobicContact CG2-CD1 4.47Å; I131-M187 WeakPolarHBondContact CD1-O 2.98Å; I131-A188 HydrophobicContact CG1-CB 4.02Å
132	A	95.6	Very high	94.3	Very high	24 Å²	24	22 Å²	22	20%	0.198	13%	0.128	C	C	.	.	H	α-helix	trans	-60.2	-42.7	176.3	0	0	0	0	0	111.7	L90 F93 K128 M129 A135 G136	L90-A132 HydrophobicContact CD2-CB 4.06Å; L90-A132 WeakPolarHBondContact CD2-O 3.28Å; F93-A132 HydrophobicContact CD1-CB 3.9Å; F93-A132 HydrophobicContact CE1-CB 3.53Å; F93-A132 HydrophobicContact CZ-CB 4.24Å; K128-A132 PolarHBondContact O-N 3.48Å; M129-A132 PolarHBondContact O-N 2.99Å; A132-A135 PolarHBondContact O-N 3.22Å; A132-G136 PolarHBondContact O-N 3.23Å; A132-G136 VanDerWaalsContact O-N 3.12Å
133	I	95.8	Very high	94.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.2	-46.6	178.1	-67.5	170.8	0	0	0	110.9	F17 F71 L74 L75 L78 F85 M129 S130 I131 A135 G136 V137	F17-I133 HydrophobicContact CD1-CG2 4.1Å; F17-I133 HydrophobicContact CE1-CB 4.22Å; F17-I133 HydrophobicContact CE1-CG2 3.8Å; F17-I133 HydrophobicContact CZ-CG2 4.29Å; F71-I133 HydrophobicContact CD1-CD1 3.72Å; F71-I133 HydrophobicContact CE1-CD1 3.95Å; L74-I133 HydrophobicContact CD2-CD1 3.76Å; L74-I133 HydrophobicContact CD2-CG2 4.43Å; L75-I133 HydrophobicContact CD2-CD1 4.05Å; L75-I133 HydrophobicContact CD2-CG1 3.99Å; L78-I133 HydrophobicContact CD1-CG2 3.35Å; F85-I133 HydrophobicContact CE2-CG2 4.4Å; F85-I133 HydrophobicContact CZ-CG2 4.19Å; M129-I133 VanDerWaalsContact O-CG1 3.28Å; M129-I133 WeakPolarHBondContact O-CG1 3.45Å; M129-I133 PolarHBondContact O-N 2.92Å; S130-I133 PolarHBondContact O-N 3.46Å; I131-I133 VanDerWaalsContact C-N 3.31Å; I131-I133 PolarHBondContact O-N 2.89Å; I133-A135 PolarHBondContact O-N 3.04Å; I133-G136 PolarHBondContact O-N 2.99Å; I133-V137 WeakPolarHBondContact O-CG2 3.33Å; I133-V137 PolarHBondContact O-N 2.68Å
134	M	96.6	Very high	94.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.4	-39.3	178.1	-174.6	62.7	71.3	0	0	112.3	F17 V20 A21 L24 L37 S130 I131 G136 V137 L138 L186	F17-M134 HydrophobicContact CD1-CE 3.55Å; F17-M134 HydrophobicContact CD1-SD 4.5Å; F17-M134 HydrophobicContact CE1-CB 4.39Å; F17-M134 HydrophobicContact CE1-CE 4.06Å; F17-M134 HydrophobicContact CG-CE 4.39Å; V20-M134 HydrophobicContact CB-CE 3.84Å; V20-M134 HydrophobicContact CG1-CE 3.45Å; V20-M134 VanDerWaalsContact CG1-CE 3.45Å; A21-M134 HydrophobicContact CB-SD 4.29Å; L24-M134 HydrophobicContact CD1-SD 4.36Å; L37-M134 HydrophobicContact CD1-CB 3.49Å; L37-M134 VanDerWaalsContact CD1-CB 3.49Å; L37-M134 HydrophobicContact CD1-CE 4.12Å; L37-M134 HydrophobicContact CD1-CG 3.85Å; S130-M134 WeakPolarHBondContact O-CB 3.19Å; S130-M134 PolarHBondContact O-N 2.96Å; I131-M134 PolarHBondContact O-N 3.31Å; M134-G136 VanDerWaalsContact C-N 3.31Å; M134-G136 PolarHBondContact O-N 3.47Å; M134-V137 PolarHBondContact O-N 2.88Å; M134-V137 VanDerWaalsContact O-N 3.13Å; M134-V137 HydrophobicContact SD-CB 4.49Å; M134-L138 HydrophobicContact CG-CD1 4.04Å; M134-L138 HydrophobicContact CG-CG 4.26Å; M134-L138 WeakPolarHBondContact O-CG 3.35Å; M134-L138 PolarHBondContact O-N 2.89Å; M134-L138 HydrophobicContact SD-CG 4.26Å; M134-L186 HydrophobicContact CB-CD1 4.22Å; M134-L186 HydrophobicContact CG-CD1 4.17Å; M134-L186 HydrophobicContact CG-CD2 4.24Å
135	A	96.1	Very high	94.8	Very high	10 Å²	10	28.5 Å²	28.5	8%	0.083	16%	0.162	C	C	.	.	H	α-helix	trans	-56.3	-48.3	174.6	0	0	0	0	0	110.5	I131 A132 I133 V137 L138 E139 V145 V147 L186	I131-A135 WeakPolarHBondContact O-CB 3.44Å; I131-A135 PolarHBondContact O-N 3.24Å; A132-A135 PolarHBondContact O-N 3.22Å; I133-A135 PolarHBondContact O-N 3.04Å; A135-V137 VanDerWaalsContact C-N 3.31Å; A135-V137 PolarHBondContact O-N 3.29Å; A135-L138 PolarHBondContact O-N 2.91Å; A135-E139 WeakPolarHBondContact O-CB 3.5Å; A135-E139 VanDerWaalsContact O-CG 3.29Å; A135-E139 WeakPolarHBondContact O-CG 3.39Å; A135-E139 PolarHBondContact O-N 3.41Å; A135-V145 HydrophobicContact CB-CG1 4.19Å; A135-V147 HydrophobicContact CB-CG2 4.48Å; A135-L186 HydrophobicContact CB-CD1 3.86Å
136	G	95	Very high	94.9	Very high	3 Å²	3	28.6 Å²	28.6	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-31.9	176.2	0	0	0	0	0	114.2	A132 I133 M134 A140	A132-G136 PolarHBondContact O-N 3.23Å; A132-G136 VanDerWaalsContact O-N 3.12Å; I133-G136 PolarHBondContact O-N 2.99Å; M134-G136 VanDerWaalsContact C-N 3.31Å; M134-G136 PolarHBondContact O-N 3.47Å; G136-A140 WeakPolarHBondContact O-CB 3.41Å; G136-A140 PolarHBondContact O-N 3.47Å; G136-A140 VanDerWaalsContact O-N 3.12Å
137	V	95.3	Very high	95.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.4	-46.5	173.2	174.1	0	0	0	0	111.2	L18 A21 L78 Q82 F85 I133 M134 A135 A140 R141	L18-V137 HydrophobicContact CD2-CG1 4.16Å; A21-V137 HydrophobicContact CB-CG1 3.88Å; L78-V137 HydrophobicContact CD1-CG2 3.97Å; L78-V137 HydrophobicContact CD2-CG2 3.99Å; Q82-V137 HydrophobicContact CG-CG1 4.47Å; F85-V137 HydrophobicContact CD2-CG2 3.83Å; F85-V137 HydrophobicContact CE2-CG2 3.63Å; I133-V137 WeakPolarHBondContact O-CG2 3.33Å; I133-V137 PolarHBondContact O-N 2.68Å; M134-V137 PolarHBondContact O-N 2.88Å; M134-V137 VanDerWaalsContact O-N 3.13Å; M134-V137 HydrophobicContact SD-CB 4.49Å; A135-V137 VanDerWaalsContact C-N 3.31Å; A135-V137 PolarHBondContact O-N 3.29Å; V137-A140 PolarHBondContact O-N 2.72Å; V137-R141 WeakPolarHBondContact O-CG 3.35Å; V137-R141 PolarHBondContact O-N 3.43Å; V137-R141 VanDerWaalsContact O-N 3.11Å
138	L	95.1	Very high	95.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.4	-39.9	-177.8	-68.2	176.9	0	0	0	112.2	A21 L24 M134 A135 R141 G142 H143 V145 M184 L186	A21-L138 HydrophobicContact CB-CD2 4.17Å; L24-L138 HydrophobicContact CD1-CD1 4.05Å; L24-L138 HydrophobicContact CD1-CD2 4.35Å; M134-L138 HydrophobicContact CG-CD1 4.04Å; M134-L138 HydrophobicContact CG-CG 4.26Å; M134-L138 WeakPolarHBondContact O-CG 3.35Å; M134-L138 PolarHBondContact O-N 2.89Å; M134-L138 HydrophobicContact SD-CG 4.26Å; A135-L138 PolarHBondContact O-N 2.91Å; L138-R141 CarbonylContact O-C 3.59Å; L138-R141 WeakPolarHBondContact O-CA 3.37Å; L138-R141 PolarHBondContact O-N 2.97Å; L138-R141 VanDerWaalsContact O-N 3.12Å; L138-G142 PolarHBondContact O-N 3.38Å; L138-H143 HydrophobicContact CB-CB 4.43Å; L138-H143 PolarHBondContact O-N 3.3Å; L138-V145 HydrophobicContact CB-CG2 3.7Å; L138-V145 HydrophobicContact CD1-CG2 4.25Å; L138-M184 HydrophobicContact CD1-CB 4.46Å; L138-M184 HydrophobicContact CD1-SD 3.83Å; L138-M184 HydrophobicContact CD2-SD 3.82Å; L138-M184 HydrophobicContact CG-SD 4.3Å; L138-L186 HydrophobicContact CD1-CD1 4.25Å; L138-L186 HydrophobicContact CD1-CD2 4.03Å; L138-L186 HydrophobicContact CD1-CG 4.45Å
139	E	95.1	Very high	95.2	Very high	108 Å²	108	31.1 Å²	31.1	51%	0.505	19%	0.187	S	C	.	.	H	α-helix	trans	-63.4	-41.5	173.4	-72.6	172.5	176.8	0	0	111.3	A135 R141 G142 V145	A135-E139 WeakPolarHBondContact O-CB 3.5Å; A135-E139 VanDerWaalsContact O-CG 3.29Å; A135-E139 WeakPolarHBondContact O-CG 3.39Å; A135-E139 PolarHBondContact O-N 3.41Å; E139-R141 PolarHBondContact O-N 2.93Å; E139-G142 WeakPolarHBondContact O-CA 3.3Å; E139-G142 PolarHBondContact O-N 3.5Å; E139-V145 HydrophobicContact CG-CG2 4.1Å
140	A	93.4	Very high	95.2	Very high	29 Å²	29	31.4 Å²	31.4	24%	0.24	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-24.3	174.1	0	0	0	0	0	113.1	Q82 G136 V137 G142	Q82-A140 HydrophobicContact CG-CB 4.11Å; G136-A140 WeakPolarHBondContact O-CB 3.41Å; G136-A140 PolarHBondContact O-N 3.47Å; G136-A140 VanDerWaalsContact O-N 3.12Å; V137-A140 PolarHBondContact O-N 2.72Å; A140-G142 VanDerWaalsContact C-N 3.34Å
141	R	93.8	Very high	95.1	Very high	53 Å²	53	32.8 Å²	32.8	20%	0.2	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-0.2	171.9	-70.4	-176.2	178.1	-161.7	1.7	113.7	D22 E25 Q82 V137 L138 E139	D22-R141 IonicContact OD1-CZ 3.7Å; D22-R141 VanDerWaalsContact OD1-CZ 3.3Å; D22-R141 IonicContact OD1-NH1 3.3Å; D22-R141 PolarHBondContact OD1-NH1 2.98Å; D22-R141 IonicContact OD1-NH2 3.37Å; D22-R141 PolarHBondContact OD1-NH2 2.83Å; E25-R141 IonicContact OE2-CZ 2.73Å; E25-R141 IonicContact OE2-NH1 3.74Å; E25-R141 PolarHBondContact OE2-NH1 2.78Å; Q82-R141 VanDerWaalsContact NE2-CG 3.35Å; V137-R141 WeakPolarHBondContact O-CG 3.35Å; V137-R141 PolarHBondContact O-N 3.43Å; V137-R141 VanDerWaalsContact O-N 3.11Å; L138-R141 CarbonylContact O-C 3.59Å; L138-R141 WeakPolarHBondContact O-CA 3.37Å; L138-R141 PolarHBondContact O-N 2.97Å; L138-R141 VanDerWaalsContact O-N 3.12Å; E139-R141 PolarHBondContact O-N 2.93Å
142	G	92.4	Very high	95.1	Very high	67 Å²	67	38.1 Å²	38.1	69%	0.691	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.4	17.4	175.6	0	0	0	0	0	115.1	L138 E139 A140	L138-G142 PolarHBondContact O-N 3.38Å; E139-G142 WeakPolarHBondContact O-CA 3.3Å; E139-G142 PolarHBondContact O-N 3.5Å; A140-G142 VanDerWaalsContact C-N 3.34Å
143	H	94.1	Very high	95.1	Very high	55 Å²	55	39.3 Å²	39.3	26%	0.255	22%	0.223	S	C	.	.			trans	-91.5	144	174.6	-62.5	-79.3	0	0	0	111.6	E25 L138 M184	E25-H143 WeakPolarHBondContact CG-NE2 3.5Å; E25-H143 IonicContact OE1-CD2 3.79Å; E25-H143 IonicContact OE1-CE1 2.72Å; E25-H143 IonicContact OE1-NE2 3.25Å; E25-H143 PolarHBondContact OE1-NE2 3.13Å; L138-H143 HydrophobicContact CB-CB 4.43Å; L138-H143 PolarHBondContact O-N 3.3Å; H143-M184 HydrophobicContact CB-CE 4.48Å; H143-M184 HydrophobicContact CB-SD 3.95Å
144	N	95.1	Very high	95.1	Very high	85 Å²	85	39.3 Å²	39.3	46%	0.455	22%	0.223	S	C	.	.			trans	-78.6	132.3	168.2	-64.6	-34	0	0	0	109.4	D182 H183 M184	N144-D182 PolarHBondContact ND2-OD2 2.98Å; N144-H183 WeakPolarHBondContact CB-CD2 3.49Å; N144-H183 WeakPolarHBondContact CB-NE2 3.43Å; N144-H183 CarbonylContact O-C 3.4Å; N144-H183 VanDerWaalsContact O-CA 3.31Å; N144-H183 WeakPolarHBondContact O-CA 3.27Å; N144-M184 PolarHBondContact O-N 3.45Å
145	V	95.6	Very high	95.1	Very high	22 Å²	22	40 Å²	40	13%	0.133	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.4	-175.8	-178.6	0	0	0	0	110.5	A135 L138 E139 V147 M184 L186	A135-V145 HydrophobicContact CB-CG1 4.19Å; L138-V145 HydrophobicContact CB-CG2 3.7Å; L138-V145 HydrophobicContact CD1-CG2 4.25Å; E139-V145 HydrophobicContact CG-CG2 4.1Å; V145-V147 HydrophobicContact CG1-CG2 4.24Å; V145-M184 CarbonylContact C-O 3.57Å; V145-M184 WeakPolarHBondContact CA-O 3.28Å; V145-L186 HydrophobicContact CG1-CB 4.45Å; V145-L186 HydrophobicContact CG1-CD1 3.6Å; V145-L186 HydrophobicContact CG1-CG 3.76Å
146	T	96.1	Very high	95	Very high	32 Å²	32	39.6 Å²	39.6	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.4	165.7	-68.6	0	0	0	0	109.5	I179 H183 M184 V185 L186	T146-I179 HydrophobicContact CG2-CD1 4.45Å; T146-I179 HydrophobicContact CG2-CG1 4.21Å; T146-I179 HydrophobicContact CG2-CG2 4.04Å; T146-H183 PolarHBondContact OG1-ND1 3.44Å; T146-M184 PolarHBondContact N-O 3.33Å; T146-V185 CarbonylContact O-C 3.43Å; T146-V185 WeakPolarHBondContact O-CA 3.12Å; T146-L186 PolarHBondContact O-N 2.91Å
147	V	96.3	Very high	94.9	Very high	81 Å²	81	43.6 Å²	43.6	49%	0.491	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.9	173.6	-176.7	0	0	0	0	109.4	I131 A135 V145 L186	I131-V147 HydrophobicContact CG2-CG1 3.62Å; I131-V147 HydrophobicContact CG2-CG2 4.13Å; A135-V147 HydrophobicContact CB-CG2 4.48Å; V145-V147 HydrophobicContact CG1-CG2 4.24Å; V147-L186 CarbonylContact C-O 3.51Å; V147-L186 WeakPolarHBondContact CA-O 3.47Å; V147-L186 HydrophobicContact CG2-CB 4.38Å
148	I	95.6	Very high	94.7	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.036	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.4	169.9	-67	178.5	0	0	0	108.1	P150 K153 I179 V185 L186 M187 L214	I148-P150 VanDerWaalsContact O-CD 3.26Å; I148-P150 WeakPolarHBondContact O-CD 3.35Å; I148-K153 HydrophobicContact CG2-CB 3.95Å; I148-K153 HydrophobicContact CG2-CG 3.92Å; I148-I179 HydrophobicContact CD1-CD1 3.73Å; I148-I179 HydrophobicContact CG1-CD1 4.02Å; I148-V185 HydrophobicContact CD1-CG1 3.39Å; I148-V185 HydrophobicContact CG1-CG1 3.67Å; I148-L186 PolarHBondContact N-O 3.43Å; I148-M187 HydrophobicContact CB-CB 4.15Å; I148-M187 HydrophobicContact CB-CG 4.04Å; I148-M187 HydrophobicContact CB-SD 4.46Å; I148-M187 HydrophobicContact CG2-CG 3.95Å; I148-M187 HydrophobicContact CG2-SD 3.89Å; I148-L214 HydrophobicContact CD1-CD1 4.02Å
149	D	95.4	Very high	94.5	Very high	70 Å²	70	51.2 Å²	51.2	37%	0.374	30%	0.298	S	S	.	.			trans	-79.7	111.2	166.8	-171.1	-20.2	0	0	0	109.8	V151 E152 K153	D149-V151 PolarHBondContact O-N 3.06Å; D149-V151 WeakPolarHBondContact OD1-CB 3.45Å; D149-V151 PolarHBondContact OD1-N 3.37Å; D149-E152 HydrophobicContact CB-CB 4.29Å; D149-E152 HydrophobicContact CB-CG 4.16Å; D149-E152 PolarHBondContact O-N 3.12Å; D149-K153 WeakPolarHBondContact O-CB 3.43Å; D149-K153 VanDerWaalsContact O-CG 3.28Å; D149-K153 WeakPolarHBondContact O-CG 3.49Å; D149-K153 PolarHBondContact O-N 2.69Å
150	P	94.8	Very high	94.3	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.039	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-26.4	179	27.2	-34.2	0	0	0	113.1	I148 L154 M187 A188 T191	I148-P150 VanDerWaalsContact O-CD 3.26Å; I148-P150 WeakPolarHBondContact O-CD 3.35Å; P150-L154 HydrophobicContact CB-CD1 3.97Å; P150-L154 HydrophobicContact CB-CG 4.26Å; P150-L154 WeakPolarHBondContact O-CA 3.44Å; P150-L154 VanDerWaalsContact O-CB 3.29Å; P150-L154 WeakPolarHBondContact O-CB 3.33Å; P150-L154 PolarHBondContact O-N 2.72Å; P150-M187 HydrophobicContact CB-CG 4.26Å; P150-M187 HydrophobicContact CB-SD 4.4Å; P150-A188 HydrophobicContact CG-CB 4.21Å; P150-T191 WeakPolarHBondContact CB-O 3.18Å; P150-T191 WeakPolarHBondContact CG-OG1 3.48Å
151	V	94.8	Very high	94.1	Very high	29 Å²	29	49.9 Å²	49.9	18%	0.176	29%	0.286	C	S	.	.	H	α-helix	trans	-68.7	-39	179	-176.4	0	0	0	0	110.8	D149 G193 L199	D149-V151 PolarHBondContact O-N 3.06Å; D149-V151 WeakPolarHBondContact OD1-CB 3.45Å; D149-V151 PolarHBondContact OD1-N 3.37Å; V151-G193 WeakPolarHBondContact O-CA 3.47Å; V151-L199 HydrophobicContact CG2-CB 4.05Å; V151-L199 HydrophobicContact CG2-CD1 3.88Å; V151-L199 HydrophobicContact CG2-CG 3.91Å
152	E	94.9	Very high	93.9	Very high	120 Å²	120	52.2 Å²	52.2	56%	0.561	30%	0.299	S	S	*	.	H	α-helix	trans	-76.2	-41.3	176.2	-64.5	-172.3	166.4	0	0	112.1	D149 R173	D149-E152 HydrophobicContact CB-CB 4.29Å; D149-E152 HydrophobicContact CB-CG 4.16Å; D149-E152 PolarHBondContact O-N 3.12Å; E152-R173 WeakPolarHBondContact O-CD 3.47Å; E152-R173 PolarHBondContact O-NH1 3.33Å
153	K	95.2	Very high	93.9	Very high	48 Å²	48	49 Å²	49	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-98.1	-27.5	-163.9	-55.7	-58.9	175.2	169.4	0	114.5	I148 D149 S170 R173 I174 S177	I148-K153 HydrophobicContact CG2-CB 3.95Å; I148-K153 HydrophobicContact CG2-CG 3.92Å; D149-K153 WeakPolarHBondContact O-CB 3.43Å; D149-K153 VanDerWaalsContact O-CG 3.28Å; D149-K153 WeakPolarHBondContact O-CG 3.49Å; D149-K153 PolarHBondContact O-N 2.69Å; K153-S170 WeakPolarHBondContact O-CA 3.47Å; K153-R173 HydrophobicContact CD-CB 4.29Å; K153-I174 HydrophobicContact CB-CG1 3.95Å; K153-S177 WeakPolarHBondContact CE-OG 3.48Å; K153-S177 PolarHBondContact NZ-OG 3.09Å
154	L	95.7	Very high	93.8	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.			trans	-101.5	106.3	177.2	-56.5	-176.2	0	0	0	109.8	P150 V165 S170 I174 M187 A192 G193 V213	P150-L154 HydrophobicContact CB-CD1 3.97Å; P150-L154 HydrophobicContact CB-CG 4.26Å; P150-L154 WeakPolarHBondContact O-CA 3.44Å; P150-L154 VanDerWaalsContact O-CB 3.29Å; P150-L154 WeakPolarHBondContact O-CB 3.33Å; P150-L154 PolarHBondContact O-N 2.72Å; L154-V165 HydrophobicContact CB-CG1 4.31Å; L154-S170 WeakPolarHBondContact CA-OG 3.32Å; L154-I174 HydrophobicContact CD2-CD1 3.88Å; L154-M187 HydrophobicContact CD1-CE 3.96Å; L154-M187 HydrophobicContact CD1-SD 3.96Å; L154-M187 HydrophobicContact CG-SD 4.41Å; L154-A192 HydrophobicContact CB-CB 3.89Å; L154-G193 PolarHBondContact O-N 2.83Å; L154-V213 HydrophobicContact CD1-CG1 4.43Å; L154-V213 HydrophobicContact CD2-CG1 3.91Å
155	L	97	Very high	93.8	Very high	16 Å²	16	46.3 Å²	46.3	8%	0.084	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-80.3	123.4	173.5	179.3	64.2	0	0	0	109.8	V165 D166 E169 S170 G193 E195	L155-V165 CarbonylContact O-C 3.53Å; L155-V165 WeakPolarHBondContact O-CA 3.38Å; L155-V165 WeakPolarHBondContact O-CG1 3.49Å; L155-D166 PolarHBondContact O-N 3.26Å; L155-E169 HydrophobicContact CB-CB 4.44Å; L155-E169 HydrophobicContact CB-CG 4.1Å; L155-E169 HydrophobicContact CD2-CB 4.07Å; L155-E169 HydrophobicContact CD2-CG 3.64Å; L155-S170 PolarHBondContact N-OG 3.11Å; L155-G193 CarbonylContact C-O 3.58Å; L155-G193 WeakPolarHBondContact CA-O 3.42Å; L155-E195 HydrophobicContact CD1-CG 4.12Å
156	A	94.9	Very high	93.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.7	-178.3	0	0	0	0	0	112.4	T164 V165 A192 G193 N194 V200 L202	A156-T164 CarbonylContact C-O 3.55Å; A156-T164 VanDerWaalsContact CA-O 3.28Å; A156-T164 WeakPolarHBondContact CA-O 3.45Å; A156-V165 HydrophobicContact CB-CG2 4.37Å; A156-A192 HydrophobicContact CB-CB 3.54Å; A156-G193 PolarHBondContact N-O 3.07Å; A156-N194 WeakPolarHBondContact O-CA 3.43Å; A156-V200 HydrophobicContact CB-CG2 3.67Å; A156-L202 HydrophobicContact CB-CD2 4.48Å
157	V	92.9	Very high	93.7	Very high	86 Å²	86	47.9 Å²	47.9	52%	0.521	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.1	177.6	-175.7	0	0	0	0	108.6	T164	V157-T164 PolarHBondContact N-O 3.33Å; V157-T164 PolarHBondContact O-N 3.42Å
158	G	90.2	Very high	93.6	Very high	61 Å²	61	47.5 Å²	47.5	63%	0.629	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	142.3	-157	179	0	0	0	0	0	113.1
159	H	91.4	Very high	93.5	Very high	99 Å²	99	49 Å²	49	46%	0.458	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	153.1	-179	-168.3	-99.3	0	0	0	110.9	D116 L161 E162 S163	D116-H159 IonicContact OD2-CE1 3.59Å; D116-H159 PolarHBondContact OD2-CE1 2.92Å; D116-H159 IonicContact OD2-NE2 2.99Å; H159-L161 PolarHBondContact ND1-N 2.96Å; H159-L161 PolarHBondContact O-N 3.47Å; H159-E162 PolarHBondContact N-O 3.5Å; H159-E162 CarbonylContact O-C 3.56Å; H159-E162 PolarHBondContact O-N 2.86Å; H159-E162 VanDerWaalsContact O-O 3.08Å; H159-S163 PolarHBondContact O-OG 3.2Å
160	Y	91	Very high	93.6	Very high	57 Å²	57	45.6 Å²	45.6	22%	0.224	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.6	-178	-73.5	-83.3	0	0	0	113.9	E198 V200 V201	Y160-E198 HydrophobicContact CE1-CB 4.26Å; Y160-E198 PolarHBondContact OH-OE2 3.31Å; Y160-V200 HydrophobicContact CD1-CG1 3.88Å; Y160-V200 HydrophobicContact CE1-CG1 4.4Å; Y160-V201 WeakPolarHBondContact O-CG2 3.44Å; Y160-V201 PolarHBondContact O-N 3.44Å
161	L	89.6	Confident	93.6	Very high	53 Å²	53	47.2 Å²	47.2	28%	0.277	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-9	179.5	-61.8	-179.6	0	0	0	114.4	D116 N119 A120 I123 H159 V201	D116-L161 HydrophobicContact CB-CD1 4.19Å; D116-L161 HydrophobicContact CB-CG 4.09Å; D116-L161 WeakPolarHBondContact OD1-CD1 3.48Å; N119-L161 HydrophobicContact CB-CD2 4.18Å; A120-L161 HydrophobicContact CB-CD2 4.16Å; I123-L161 HydrophobicContact CD1-CD2 4.29Å; H159-L161 PolarHBondContact ND1-N 2.96Å; H159-L161 PolarHBondContact O-N 3.47Å; L161-V201 VanDerWaalsContact CA-CG2 3.44Å; L161-V201 HydrophobicContact CB-CG2 4.4Å; L161-V201 HydrophobicContact CD2-CG2 4.08Å; L161-V201 WeakPolarHBondContact O-CG2 3.24Å
162	E	88.9	Confident	93.6	Very high	101 Å²	101	53.7 Å²	53.7	47%	0.472	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	99.4	-177	-169.4	174.4	-175.4	0	0	110.5	H159 V201 R268	H159-E162 PolarHBondContact N-O 3.5Å; H159-E162 CarbonylContact O-C 3.56Å; H159-E162 PolarHBondContact O-N 2.86Å; H159-E162 VanDerWaalsContact O-O 3.08Å; E162-V201 PolarHBondContact N-O 3.18Å; E162-R268 VanDerWaalsContact CG-NH1 3.26Å; E162-R268 IonicContact OE1-CZ 2.7Å; E162-R268 IonicContact OE1-NH1 2.65Å; E162-R268 PolarHBondContact OE1-NH1 2.92Å; E162-R268 IonicContact OE1-NH2 2.68Å; E162-R268 PolarHBondContact OE1-NH2 2.98Å
163	S	91.8	Very high	93.6	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.007	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	158.1	-178.6	-70.8	0	0	0	0	113.2	H159 V201	H159-S163 PolarHBondContact O-OG 3.2Å; S163-V201 PolarHBondContact N-O 3Å
164	T	92.8	Very high	93.5	Very high	74 Å²	74	49.4 Å²	49.4	45%	0.454	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.1	176.9	-56.5	0	0	0	0	109.5	A156 V157 Y209	A156-T164 CarbonylContact C-O 3.55Å; A156-T164 VanDerWaalsContact CA-O 3.28Å; A156-T164 WeakPolarHBondContact CA-O 3.45Å; V157-T164 PolarHBondContact N-O 3.33Å; V157-T164 PolarHBondContact O-N 3.42Å; T164-Y209 WeakPolarHBondContact CG2-OH 3.4Å
165	V	94.6	Very high	93.3	Very high	8 Å²	8	52.7 Å²	52.7	5%	0.048	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	132.1	-178	178.7	0	0	0	0	111	L154 L155 A156 I167 S170 A192 L202 Y209 V213	L154-V165 HydrophobicContact CB-CG1 4.31Å; L155-V165 CarbonylContact O-C 3.53Å; L155-V165 WeakPolarHBondContact O-CA 3.38Å; L155-V165 WeakPolarHBondContact O-CG1 3.49Å; A156-V165 HydrophobicContact CB-CG2 4.37Å; V165-I167 PolarHBondContact O-N 3.04Å; V165-S170 VanDerWaalsContact CG1-OG 3.23Å; V165-S170 WeakPolarHBondContact CG1-OG 3.4Å; V165-A192 HydrophobicContact CG2-CB 4.25Å; V165-L202 HydrophobicContact CG2-CD1 4.24Å; V165-L202 HydrophobicContact CG2-CD2 3.72Å; V165-Y209 HydrophobicContact CB-CE1 4.4Å; V165-Y209 HydrophobicContact CG2-CE1 3.98Å; V165-Y209 PolarHBondContact N-OH 3.06Å; V165-V213 HydrophobicContact CB-CG1 3.98Å; V165-V213 HydrophobicContact CB-CG2 4.02Å; V165-V213 HydrophobicContact CG1-CG1 3.58Å; V165-V213 HydrophobicContact CG1-CG2 4.5Å; V165-V213 HydrophobicContact CG2-CG1 4.24Å; V165-V213 HydrophobicContact CG2-CG2 4.23Å
166	D	95.6	Very high	93.1	Very high	69 Å²	69	55.5 Å²	55.5	37%	0.369	32%	0.319	S	S	.	.			trans	-73.7	100.3	162.2	-176.7	-23.7	0	0	0	108.8	L155 A168 E169 S170	L155-D166 PolarHBondContact O-N 3.26Å; D166-A168 VanDerWaalsContact C-N 3.3Å; D166-A168 PolarHBondContact O-N 3.3Å; D166-A168 WeakPolarHBondContact OD1-CB 3.36Å; D166-A168 PolarHBondContact OD1-N 3.37Å; D166-E169 HydrophobicContact CB-CB 4.36Å; D166-E169 PolarHBondContact OD1-N 3.02Å; D166-S170 WeakPolarHBondContact O-CB 3.49Å; D166-S170 PolarHBondContact O-N 2.92Å; D166-S170 PolarHBondContact O-OG 3.35Å
167	I	93.9	Very high	92.7	Very high	19 Å²	19	57.6 Å²	57.6	10%	0.097	33%	0.333	C	S	.	.	H	α-helix	trans	-65.7	-34.3	-177.7	-60.5	173.1	0	0	0	111.3	V165 T171 A216 P272 F276	V165-I167 PolarHBondContact O-N 3.04Å; I167-T171 VanDerWaalsContact O-CB 3.28Å; I167-T171 WeakPolarHBondContact O-CB 3.27Å; I167-T171 PolarHBondContact O-N 3.4Å; I167-T171 PolarHBondContact O-OG1 3.05Å; I167-A216 HydrophobicContact CD1-CB 4.32Å; I167-A216 HydrophobicContact CG2-CB 3.89Å; I167-P272 HydrophobicContact CD1-CB 3.79Å; I167-P272 HydrophobicContact CD1-CG 4.08Å; I167-F276 HydrophobicContact CB-CE2 4.4Å; I167-F276 HydrophobicContact CD1-CE2 3.84Å; I167-F276 HydrophobicContact CG2-CE2 3.69Å; I167-F276 HydrophobicContact CG2-CZ 3.92Å
168	A	94.2	Very high	92.4	Very high	72 Å²	72	64 Å²	64	60%	0.595	35%	0.348	S	S	*	.	H	α-helix	trans	-69.3	-46.9	-175.7	0	0	0	0	0	111.2	D166 R172	D166-A168 VanDerWaalsContact C-N 3.3Å; D166-A168 PolarHBondContact O-N 3.3Å; D166-A168 WeakPolarHBondContact OD1-CB 3.36Å; D166-A168 PolarHBondContact OD1-N 3.37Å; A168-R172 PolarHBondContact O-N 3.31Å
169	E	95	Very high	92.4	Very high	38 Å²	38	62.8 Å²	62.8	18%	0.178	33%	0.327	C	S	.	.	H	α-helix	trans	-68.3	-42.5	175.9	-178.9	56.5	-156.8	0	0	111.6	L155 D166 T171 R172 R173	L155-E169 HydrophobicContact CB-CB 4.44Å; L155-E169 HydrophobicContact CB-CG 4.1Å; L155-E169 HydrophobicContact CD2-CB 4.07Å; L155-E169 HydrophobicContact CD2-CG 3.64Å; D166-E169 HydrophobicContact CB-CB 4.36Å; D166-E169 PolarHBondContact OD1-N 3.02Å; E169-T171 VanDerWaalsContact C-N 3.29Å; E169-T171 PolarHBondContact O-N 3.23Å; E169-R172 WeakPolarHBondContact O-CB 3.5Å; E169-R172 PolarHBondContact O-N 2.79Å; E169-R172 IonicContact OE1-NH1 3.78Å; E169-R172 IonicContact OE2-CZ 3.02Å; E169-R172 IonicContact OE2-NE 3.8Å; E169-R172 IonicContact OE2-NH1 2.63Å; E169-R172 PolarHBondContact OE2-NH1 3.33Å; E169-R172 IonicContact OE2-NH2 3.29Å; E169-R172 PolarHBondContact OE2-NH2 3.08Å; E169-R173 PolarHBondContact O-N 3.47Å; E169-R173 IonicContact OE1-NE 3.03Å; E169-R173 PolarHBondContact OE1-NE 3.26Å
170	S	96	Very high	92.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.4	-38.4	178.1	-57	0	0	0	0	112.1	K153 L154 L155 V165 D166 R172 R173 I174	K153-S170 WeakPolarHBondContact O-CA 3.47Å; L154-S170 WeakPolarHBondContact CA-OG 3.32Å; L155-S170 PolarHBondContact N-OG 3.11Å; V165-S170 VanDerWaalsContact CG1-OG 3.23Å; V165-S170 WeakPolarHBondContact CG1-OG 3.4Å; D166-S170 WeakPolarHBondContact O-CB 3.49Å; D166-S170 PolarHBondContact O-N 2.92Å; D166-S170 PolarHBondContact O-OG 3.35Å; S170-R172 VanDerWaalsContact C-N 3.31Å; S170-R172 PolarHBondContact O-N 2.65Å; S170-R173 PolarHBondContact O-N 3.34Å; S170-I174 WeakPolarHBondContact O-CB 3.19Å; S170-I174 WeakPolarHBondContact O-CG1 3.33Å; S170-I174 PolarHBondContact O-N 3.26Å
171	T	95.3	Very high	92.1	Very high	39 Å²	39	61.8 Å²	61.8	24%	0.239	34%	0.343	C	S	.	.	H	α-helix	trans	-57.4	-44.6	173	-60.6	0	0	0	0	111.1	I167 E169 A175 C217	I167-T171 VanDerWaalsContact O-CB 3.28Å; I167-T171 WeakPolarHBondContact O-CB 3.27Å; I167-T171 PolarHBondContact O-N 3.4Å; I167-T171 PolarHBondContact O-OG1 3.05Å; E169-T171 VanDerWaalsContact C-N 3.29Å; E169-T171 PolarHBondContact O-N 3.23Å; T171-A175 VanDerWaalsContact O-CB 3.27Å; T171-A175 WeakPolarHBondContact O-CB 3.48Å; T171-A175 PolarHBondContact O-N 3.02Å; T171-C217 WeakPolarHBondContact OG1-CA 2.96Å
172	R	95.2	Very high	92.1	Very high	165 Å²	165	64.3 Å²	64.3	62%	0.623	36%	0.357	S	S	*	.	H	α-helix	trans	-63.4	-45.2	178.7	-167.5	-167.9	-58.4	144.2	12.4	111.6	A168 E169 S170 A175 A176	A168-R172 PolarHBondContact O-N 3.31Å; E169-R172 WeakPolarHBondContact O-CB 3.5Å; E169-R172 PolarHBondContact O-N 2.79Å; E169-R172 IonicContact OE1-NH1 3.78Å; E169-R172 IonicContact OE2-CZ 3.02Å; E169-R172 IonicContact OE2-NE 3.8Å; E169-R172 IonicContact OE2-NH1 2.63Å; E169-R172 PolarHBondContact OE2-NH1 3.33Å; E169-R172 IonicContact OE2-NH2 3.29Å; E169-R172 PolarHBondContact OE2-NH2 3.08Å; S170-R172 VanDerWaalsContact C-N 3.31Å; S170-R172 PolarHBondContact O-N 2.65Å; R172-A175 PolarHBondContact O-N 2.65Å; R172-A176 WeakPolarHBondContact O-CB 3.44Å; R172-A176 PolarHBondContact O-N 3.05Å
173	R	95.2	Very high	92.4	Very high	73 Å²	73	61.4 Å²	61.4	28%	0.275	34%	0.343	S	S	.	.	H	α-helix	trans	-65.9	-40.2	-179.8	-66.4	-177.7	-177.3	-166.8	4.7	112.7	E152 K153 E169 S170 S177	E152-R173 WeakPolarHBondContact O-CD 3.47Å; E152-R173 PolarHBondContact O-NH1 3.33Å; K153-R173 HydrophobicContact CD-CB 4.29Å; E169-R173 PolarHBondContact O-N 3.47Å; E169-R173 IonicContact OE1-NE 3.03Å; E169-R173 PolarHBondContact OE1-NE 3.26Å; S170-R173 PolarHBondContact O-N 3.34Å; R173-S177 PolarHBondContact O-OG 2.89Å; R173-S177 VanDerWaalsContact O-OG 3.13Å
174	I	93.1	Very high	92.5	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-66.6	-48.4	176	-69.3	168.6	0	0	0	109.9	K153 L154 S170 A176 S177 L214 C217 L218	K153-I174 HydrophobicContact CB-CG1 3.95Å; L154-I174 HydrophobicContact CD2-CD1 3.88Å; S170-I174 WeakPolarHBondContact O-CB 3.19Å; S170-I174 WeakPolarHBondContact O-CG1 3.33Å; S170-I174 PolarHBondContact O-N 3.26Å; I174-A176 VanDerWaalsContact C-N 3.26Å; I174-A176 PolarHBondContact O-N 2.88Å; I174-S177 VanDerWaalsContact O-CB 3.25Å; I174-S177 WeakPolarHBondContact O-CB 3.34Å; I174-S177 PolarHBondContact O-N 3.06Å; I174-S177 PolarHBondContact O-OG 3.49Å; I174-L214 HydrophobicContact CD1-CD1 3.99Å; I174-C217 HydrophobicContact CD1-CB 3.6Å; I174-L218 HydrophobicContact CG2-CD2 3.62Å; I174-L218 HydrophobicContact CG2-CG 4.49Å
175	A	91.2	Very high	92.6	Very high	69 Å²	69	58.2 Å²	58.2	57%	0.57	32%	0.323	S	S	*	.	H	α-helix	trans	-59.5	-35.3	179	0	0	0	0	0	112.9	T171 R172 S177 R178	T171-A175 VanDerWaalsContact O-CB 3.27Å; T171-A175 WeakPolarHBondContact O-CB 3.48Å; T171-A175 PolarHBondContact O-N 3.02Å; R172-A175 PolarHBondContact O-N 2.65Å; A175-S177 PolarHBondContact O-N 3.5Å; A175-R178 PolarHBondContact O-N 3.41Å
176	A	91.8	Very high	92.8	Very high	75 Å²	75	57.8 Å²	57.8	62%	0.62	32%	0.321	S	S	*	.	H	α-helix	trans	-62.1	-21.3	175.5	0	0	0	0	0	113.6	R172 I174 R178	R172-A176 WeakPolarHBondContact O-CB 3.44Å; R172-A176 PolarHBondContact O-N 3.05Å; I174-A176 VanDerWaalsContact C-N 3.26Å; I174-A176 PolarHBondContact O-N 2.88Å; A176-R178 VanDerWaalsContact C-N 3.27Å; A176-R178 PolarHBondContact O-N 3.16Å
177	S	87	Confident	92.8	Very high	45 Å²	45	54.5 Å²	54.5	32%	0.315	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.6	-178.3	-46.2	0	0	0	0	113.3	K153 R173 I174 A175 I179	K153-S177 WeakPolarHBondContact CE-OG 3.48Å; K153-S177 PolarHBondContact NZ-OG 3.09Å; R173-S177 PolarHBondContact O-OG 2.89Å; R173-S177 VanDerWaalsContact O-OG 3.13Å; I174-S177 VanDerWaalsContact O-CB 3.25Å; I174-S177 WeakPolarHBondContact O-CB 3.34Å; I174-S177 PolarHBondContact O-N 3.06Å; I174-S177 PolarHBondContact O-OG 3.49Å; A175-S177 PolarHBondContact O-N 3.5Å; S177-I179 VanDerWaalsContact C-N 3.32Å; S177-I179 PolarHBondContact O-N 3.24Å
178	R	86.7	Confident	92.9	Very high	220 Å²	220	54.1 Å²	54.1	83%	0.83	30%	0.303	S	S	*	.			trans	43.2	54.2	177	-61.5	-177.1	-176.3	178.8	1.5	113.2	A175 A176	A175-R178 PolarHBondContact O-N 3.41Å; A176-R178 VanDerWaalsContact C-N 3.27Å; A176-R178 PolarHBondContact O-N 3.16Å
179	I	89.2	Confident	92.9	Very high	36 Å²	36	50.7 Å²	50.7	19%	0.185	27%	0.274	C	S	.	.			trans	-58.9	126	-177.5	-55.2	176.6	0	0	0	109.3	T146 I148 S177 H183 V185	T146-I179 HydrophobicContact CG2-CD1 4.45Å; T146-I179 HydrophobicContact CG2-CG1 4.21Å; T146-I179 HydrophobicContact CG2-CG2 4.04Å; I148-I179 HydrophobicContact CD1-CD1 3.73Å; I148-I179 HydrophobicContact CG1-CD1 4.02Å; S177-I179 VanDerWaalsContact C-N 3.32Å; S177-I179 PolarHBondContact O-N 3.24Å; I179-H183 HydrophobicContact CG2-CB 4.46Å; I179-V185 HydrophobicContact CD1-CG1 4.11Å; I179-V185 HydrophobicContact CD1-CG2 4.29Å; I179-V185 HydrophobicContact CG2-CG2 3.73Å
180	P	89.7	Confident	92.8	Very high	55 Å²	55	50.2 Å²	50.2	36%	0.357	27%	0.272	S	S	.	.			trans	-60.1	144.1	178.2	-22.3	33	0	0	0	111.7	Q32 D182 H183	Q32-P180 PolarHBondContact NE2-O 3.25Å; P180-D182 VanDerWaalsContact C-N 3.29Å; P180-D182 WeakPolarHBondContact CB-OD1 3.43Å; P180-D182 PolarHBondContact O-N 3.37Å; P180-H183 PolarHBondContact O-N 3.18Å
181	A	87	Confident	92.7	Very high	80 Å²	80	50.5 Å²	50.5	66%	0.661	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-23.5	-173	0	0	0	0	0	114.1
182	D	90.2	Very high	92.8	Very high	106 Å²	106	48.7 Å²	48.7	57%	0.567	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.1	178.1	65.1	-55.7	0	0	0	113.3	N144 P180	N144-D182 PolarHBondContact ND2-OD2 2.98Å; P180-D182 VanDerWaalsContact C-N 3.29Å; P180-D182 WeakPolarHBondContact CB-OD1 3.43Å; P180-D182 PolarHBondContact O-N 3.37Å
183	H	94.1	Very high	92.8	Very high	41 Å²	41	40.8 Å²	40.8	19%	0.19	23%	0.232	C	C	.	.	S	Bend	trans	-83.2	138.3	178.7	-78.7	-138.2	0	0	0	112.2	Q32 N144 T146 I179 P180	Q32-H183 WeakPolarHBondContact CG-O 3.24Å; Q32-H183 PolarHBondContact NE2-O 3.24Å; N144-H183 WeakPolarHBondContact CB-CD2 3.49Å; N144-H183 WeakPolarHBondContact CB-NE2 3.43Å; N144-H183 CarbonylContact O-C 3.4Å; N144-H183 VanDerWaalsContact O-CA 3.31Å; N144-H183 WeakPolarHBondContact O-CA 3.27Å; T146-H183 PolarHBondContact OG1-ND1 3.44Å; I179-H183 HydrophobicContact CG2-CB 4.46Å; P180-H183 PolarHBondContact O-N 3.18Å
184	M	94.8	Very high	92.8	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	129.1	160.8	-70.2	-177.1	170.5	0	0	109.5	L24 E25 A28 L138 H143 N144 V145 T146	L24-M184 HydrophobicContact CB-CE 4.5Å; E25-M184 HydrophobicContact CG-CE 4.19Å; A28-M184 HydrophobicContact CB-CE 3.35Å; L138-M184 HydrophobicContact CD1-CB 4.46Å; L138-M184 HydrophobicContact CD1-SD 3.83Å; L138-M184 HydrophobicContact CD2-SD 3.82Å; L138-M184 HydrophobicContact CG-SD 4.3Å; H143-M184 HydrophobicContact CB-CE 4.48Å; H143-M184 HydrophobicContact CB-SD 3.95Å; N144-M184 PolarHBondContact O-N 3.45Å; V145-M184 CarbonylContact C-O 3.57Å; V145-M184 WeakPolarHBondContact CA-O 3.28Å; T146-M184 PolarHBondContact N-O 3.33Å
185	V	96	Very high	92.8	Very high	1 Å²	1	46 Å²	46	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131	-178	-170.9	0	0	0	0	109.7	V33 A34 T35 T146 I148 I179	V33-V185 PolarHBondContact O-N 2.92Å; A34-V185 CarbonylContact C-O 3.5Å; A34-V185 WeakPolarHBondContact CA-O 3.42Å; A34-V185 HydrophobicContact CB-CB 3.81Å; A34-V185 HydrophobicContact CB-CG1 4.32Å; A34-V185 HydrophobicContact CB-CG2 4.45Å; T35-V185 PolarHBondContact N-O 3.29Å; T146-V185 CarbonylContact O-C 3.43Å; T146-V185 WeakPolarHBondContact O-CA 3.12Å; I148-V185 HydrophobicContact CD1-CG1 3.39Å; I148-V185 HydrophobicContact CG1-CG1 3.67Å; I179-V185 HydrophobicContact CD1-CG1 4.11Å; I179-V185 HydrophobicContact CD1-CG2 4.29Å; I179-V185 HydrophobicContact CG2-CG2 3.73Å
186	L	97.2	Very high	92.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.8	174.4	-61.9	-175.7	0	0	0	110	T35 I131 M134 A135 L138 V145 T146 V147 I148	T35-L186 HydrophobicContact CG2-CD2 4.31Å; T35-L186 CarbonylContact O-C 3.6Å; T35-L186 WeakPolarHBondContact O-CA 3.46Å; I131-L186 HydrophobicContact CD1-CB 4.01Å; I131-L186 HydrophobicContact CG2-CB 4.06Å; I131-L186 HydrophobicContact CG2-CD1 4.47Å; M134-L186 HydrophobicContact CB-CD1 4.22Å; M134-L186 HydrophobicContact CG-CD1 4.17Å; M134-L186 HydrophobicContact CG-CD2 4.24Å; A135-L186 HydrophobicContact CB-CD1 3.86Å; L138-L186 HydrophobicContact CD1-CD1 4.25Å; L138-L186 HydrophobicContact CD1-CD2 4.03Å; L138-L186 HydrophobicContact CD1-CG 4.45Å; V145-L186 HydrophobicContact CG1-CB 4.45Å; V145-L186 HydrophobicContact CG1-CD1 3.6Å; V145-L186 HydrophobicContact CG1-CG 3.76Å; T146-L186 PolarHBondContact O-N 2.91Å; V147-L186 CarbonylContact C-O 3.51Å; V147-L186 WeakPolarHBondContact CA-O 3.47Å; V147-L186 HydrophobicContact CG2-CB 4.38Å; I148-L186 PolarHBondContact N-O 3.43Å
187	M	96.9	Very high	92.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.1	174.7	-169.4	-177.9	76.7	0	0	110.5	T35 V36 L37 I131 I148 P150 L154 G189 L214	T35-M187 PolarHBondContact O-N 3.47Å; V36-M187 WeakPolarHBondContact CA-O 3.32Å; V36-M187 HydrophobicContact CG2-CE 3.86Å; L37-M187 PolarHBondContact N-O 3.01Å; I131-M187 WeakPolarHBondContact CD1-O 2.98Å; I148-M187 HydrophobicContact CB-CB 4.15Å; I148-M187 HydrophobicContact CB-CG 4.04Å; I148-M187 HydrophobicContact CB-SD 4.46Å; I148-M187 HydrophobicContact CG2-CG 3.95Å; I148-M187 HydrophobicContact CG2-SD 3.89Å; P150-M187 HydrophobicContact CB-CG 4.26Å; P150-M187 HydrophobicContact CB-SD 4.4Å; L154-M187 HydrophobicContact CD1-CE 3.96Å; L154-M187 HydrophobicContact CD1-SD 3.96Å; L154-M187 HydrophobicContact CG-SD 4.41Å; M187-G189 PolarHBondContact O-N 3.3Å; M187-L214 HydrophobicContact CB-CD2 4.23Å; M187-L214 HydrophobicContact CE-CB 3.93Å; M187-L214 HydrophobicContact CE-CD2 3.97Å; M187-L214 HydrophobicContact CE-CG 4.36Å; M187-L214 HydrophobicContact SD-CD1 4.04Å; M187-L214 HydrophobicContact SD-CD2 4.14Å; M187-L214 HydrophobicContact SD-CG 4.47Å
188	A	95.3	Very high	93.3	Very high	11 Å²	11	50.8 Å²	50.8	9%	0.091	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	133.8	172.7	0	0	0	0	0	109.9	E127 I131 P150	E127-A188 HydrophobicContact CB-CB 4.01Å; I131-A188 HydrophobicContact CG1-CB 4.02Å; P150-A188 HydrophobicContact CG-CB 4.21Å
189	G	93.8	Very high	93.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-73.8	177.5	172.8	0	0	0	0	0	112.5	L37 M187 T191	L37-G189 PolarHBondContact O-N 2.93Å; M187-G189 PolarHBondContact O-N 3.3Å; G189-T191 PolarHBondContact O-N 2.77Å; G189-T191 PolarHBondContact O-OG1 2.75Å
190	F	92.9	Very high	93.9	Very high	28 Å²	28	40.8 Å²	40.8	12%	0.123	23%	0.228	C	C	.	.	S	Bend	trans	67.1	-10.8	167.6	-173.3	-139.3	0	0	0	116.5	I123 C124 E127 V201 L202 G203 S210	I123-F190 HydrophobicContact CB-CE1 4.43Å; I123-F190 HydrophobicContact CD1-CE1 3.71Å; I123-F190 HydrophobicContact CD1-CZ 3.74Å; I123-F190 HydrophobicContact CG1-CE1 3.79Å; I123-F190 HydrophobicContact CG1-CZ 4.35Å; C124-F190 HydrophobicContact CB-CD1 4.44Å; E127-F190 HydrophobicContact CG-CB 4.4Å; F190-V201 HydrophobicContact CD1-CB 4.45Å; F190-V201 HydrophobicContact CD1-CG1 4.08Å; F190-V201 HydrophobicContact CD2-CB 4.1Å; F190-V201 HydrophobicContact CE1-CB 4.09Å; F190-V201 HydrophobicContact CE1-CG1 3.79Å; F190-V201 HydrophobicContact CE2-CB 3.7Å; F190-V201 HydrophobicContact CE2-CG1 4.32Å; F190-V201 HydrophobicContact CE2-CG2 4.15Å; F190-V201 HydrophobicContact CG-CB 4.46Å; F190-V201 HydrophobicContact CG-CG1 4.47Å; F190-V201 HydrophobicContact CZ-CB 3.7Å; F190-V201 HydrophobicContact CZ-CG1 3.92Å; F190-V201 HydrophobicContact CZ-CG2 3.95Å; F190-V201 CarbonylContact O-C 3.5Å; F190-V201 VanDerWaalsContact O-CA 3.25Å; F190-V201 WeakPolarHBondContact O-CA 3.41Å; F190-L202 PolarHBondContact O-N 2.92Å; F190-G203 WeakPolarHBondContact CE2-O 3.37Å; F190-S210 PolarHBondContact N-OG 3.26Å
191	T	94.5	Very high	94.2	Very high	6 Å²	6	38.2 Å²	38.2	4%	0.037	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	155.5	-171.3	45.4	0	0	0	0	113.3	C124 P150 G189 L199 V200 V201	C124-T191 HydrophobicContact CB-CG2 3.17Å; P150-T191 WeakPolarHBondContact CB-O 3.18Å; P150-T191 WeakPolarHBondContact CG-OG1 3.48Å; G189-T191 PolarHBondContact O-N 2.77Å; G189-T191 PolarHBondContact O-OG1 2.75Å; T191-L199 HydrophobicContact CG2-CD1 4.28Å; T191-L199 HydrophobicContact CG2-CD2 4.16Å; T191-L199 HydrophobicContact CG2-CG 4.31Å; T191-V200 WeakPolarHBondContact CA-O 3.48Å; T191-V201 HydrophobicContact CG2-CG1 4.37Å
192	A	96.3	Very high	94.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	177.7	170.6	0	0	0	0	0	109.6	L154 A156 V165 V200 L202	L154-A192 HydrophobicContact CB-CB 3.89Å; A156-A192 HydrophobicContact CB-CB 3.54Å; V165-A192 HydrophobicContact CG2-CB 4.25Å; A192-V200 HydrophobicContact CB-CG2 4.06Å; A192-V200 PolarHBondContact N-O 3.04Å; A192-V200 WeakPolarHBondContact O-CG2 3.41Å; A192-V200 PolarHBondContact O-N 2.63Å; A192-L202 HydrophobicContact CB-CD2 3.76Å; A192-L202 HydrophobicContact CB-CG 4.41Å
193	G	96.2	Very high	94.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.3	174.7	0	0	0	0	0	112.3	V151 L154 L155 A156 E198	V151-G193 WeakPolarHBondContact O-CA 3.47Å; L154-G193 PolarHBondContact O-N 2.83Å; L155-G193 CarbonylContact C-O 3.58Å; L155-G193 WeakPolarHBondContact CA-O 3.42Å; A156-G193 PolarHBondContact N-O 3.07Å; G193-E198 CarbonylContact C-O 3.56Å; G193-E198 WeakPolarHBondContact CA-O 3.02Å
194	N	95.1	Very high	93.3	Very high	24 Å²	24	38.3 Å²	38.3	13%	0.128	19%	0.189	C	C	.	.			trans	-80.6	-179	172	71.4	13.6	0	0	0	112.1	A156 K196 G197 E198 V200	A156-N194 WeakPolarHBondContact O-CA 3.43Å; N194-K196 PolarHBondContact O-N 2.96Å; N194-K196 VanDerWaalsContact O-N 3.13Å; N194-K196 WeakPolarHBondContact OD1-CA 3.23Å; N194-K196 WeakPolarHBondContact OD1-CB 3.41Å; N194-K196 PolarHBondContact OD1-N 2.66Å; N194-G197 PolarHBondContact O-N 3.16Å; N194-G197 PolarHBondContact OD1-N 3.29Å; N194-E198 PolarHBondContact N-O 3.21Å; N194-E198 PolarHBondContact ND2-OE2 2.88Å; N194-E198 WeakPolarHBondContact OD1-CB 3.33Å; N194-E198 PolarHBondContact OD1-N 2.95Å; N194-V200 HydrophobicContact CB-CG1 3.91Å
195	E	93	Very high	92.5	Very high	163 Å²	163	42 Å²	42	76%	0.762	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-23	178.4	-66.9	-177.8	168.9	0	0	114.2	L155 G197	L155-E195 HydrophobicContact CD1-CG 4.12Å; E195-G197 VanDerWaalsContact C-N 3.32Å
196	K	92.9	Very high	92.1	Very high	160 Å²	160	42 Å²	42	70%	0.696	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.7	176.9	-59.5	175.9	-178.2	173.7	0	112.9	N194 E198	N194-K196 PolarHBondContact O-N 2.96Å; N194-K196 VanDerWaalsContact O-N 3.13Å; N194-K196 WeakPolarHBondContact OD1-CA 3.23Å; N194-K196 WeakPolarHBondContact OD1-CB 3.41Å; N194-K196 PolarHBondContact OD1-N 2.66Å; K196-E198 VanDerWaalsContact C-N 3.3Å; K196-E198 HydrophobicContact CB-CG 3.98Å
197	G	92.4	Very high	91.9	Very high	52 Å²	52	42.5 Å²	42.5	54%	0.536	21%	0.213	S	C	.	.	S	Bend	trans	75.1	17	-173.2	0	0	0	0	0	113.8	N194 E195	N194-G197 PolarHBondContact O-N 3.16Å; N194-G197 PolarHBondContact OD1-N 3.29Å; E195-G197 VanDerWaalsContact C-N 3.32Å
198	E	94.5	Very high	91.7	Very high	77 Å²	77	43.2 Å²	43.2	36%	0.36	22%	0.216	S	C	.	.			trans	-89	146.4	177.2	-55.2	165.4	150.6	0	0	110.4	Y160 G193 N194 K196 V200	Y160-E198 HydrophobicContact CE1-CB 4.26Å; Y160-E198 PolarHBondContact OH-OE2 3.31Å; G193-E198 CarbonylContact C-O 3.56Å; G193-E198 WeakPolarHBondContact CA-O 3.02Å; N194-E198 PolarHBondContact N-O 3.21Å; N194-E198 PolarHBondContact ND2-OE2 2.88Å; N194-E198 WeakPolarHBondContact OD1-CB 3.33Å; N194-E198 PolarHBondContact OD1-N 2.95Å; K196-E198 VanDerWaalsContact C-N 3.3Å; K196-E198 HydrophobicContact CB-CG 3.98Å; E198-V200 PolarHBondContact O-N 3.18Å
199	L	94.9	Very high	91.6	Very high	45 Å²	45	43.2 Å²	43.2	24%	0.236	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	130.8	179.3	-173.6	155.9	0	0	0	111.4	A120 C124 V151 T191 V201	A120-L199 HydrophobicContact CB-CD2 4.03Å; C124-L199 VanDerWaalsContact SG-CD1 3.53Å; V151-L199 HydrophobicContact CG2-CB 4.05Å; V151-L199 HydrophobicContact CG2-CD1 3.88Å; V151-L199 HydrophobicContact CG2-CG 3.91Å; T191-L199 HydrophobicContact CG2-CD1 4.28Å; T191-L199 HydrophobicContact CG2-CD2 4.16Å; T191-L199 HydrophobicContact CG2-CG 4.31Å; L199-V201 HydrophobicContact CD2-CG1 4.39Å
200	V	95.3	Very high	91.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.5	170.7	-59.3	0	0	0	0	110.2	A156 Y160 T191 A192 N194 E198	A156-V200 HydrophobicContact CB-CG2 3.67Å; Y160-V200 HydrophobicContact CD1-CG1 3.88Å; Y160-V200 HydrophobicContact CE1-CG1 4.4Å; T191-V200 WeakPolarHBondContact CA-O 3.48Å; A192-V200 HydrophobicContact CB-CG2 4.06Å; A192-V200 PolarHBondContact N-O 3.04Å; A192-V200 WeakPolarHBondContact O-CG2 3.41Å; A192-V200 PolarHBondContact O-N 2.63Å; N194-V200 HydrophobicContact CB-CG1 3.91Å; E198-V200 PolarHBondContact O-N 3.18Å
201	V	94.2	Very high	91.9	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	152.3	171.9	-62.1	0	0	0	0	111.9	A120 I123 C124 Y160 L161 E162 S163 F190 T191 L199 G203	A120-V201 HydrophobicContact CB-CG1 4.08Å; A120-V201 HydrophobicContact CB-CG2 4.37Å; I123-V201 HydrophobicContact CD1-CG1 4.04Å; I123-V201 HydrophobicContact CD1-CG2 4.05Å; I123-V201 HydrophobicContact CG1-CG1 4.09Å; C124-V201 HydrophobicContact CB-CG1 4.33Å; Y160-V201 WeakPolarHBondContact O-CG2 3.44Å; Y160-V201 PolarHBondContact O-N 3.44Å; L161-V201 VanDerWaalsContact CA-CG2 3.44Å; L161-V201 HydrophobicContact CB-CG2 4.4Å; L161-V201 HydrophobicContact CD2-CG2 4.08Å; L161-V201 WeakPolarHBondContact O-CG2 3.24Å; E162-V201 PolarHBondContact N-O 3.18Å; S163-V201 PolarHBondContact N-O 3Å; F190-V201 HydrophobicContact CD1-CB 4.45Å; F190-V201 HydrophobicContact CD1-CG1 4.08Å; F190-V201 HydrophobicContact CD2-CB 4.1Å; F190-V201 HydrophobicContact CE1-CB 4.09Å; F190-V201 HydrophobicContact CE1-CG1 3.79Å; F190-V201 HydrophobicContact CE2-CB 3.7Å; F190-V201 HydrophobicContact CE2-CG1 4.32Å; F190-V201 HydrophobicContact CE2-CG2 4.15Å; F190-V201 HydrophobicContact CG-CB 4.46Å; F190-V201 HydrophobicContact CG-CG1 4.47Å; F190-V201 HydrophobicContact CZ-CB 3.7Å; F190-V201 HydrophobicContact CZ-CG1 3.92Å; F190-V201 HydrophobicContact CZ-CG2 3.95Å; F190-V201 CarbonylContact O-C 3.5Å; F190-V201 VanDerWaalsContact O-CA 3.25Å; F190-V201 WeakPolarHBondContact O-CA 3.41Å; T191-V201 HydrophobicContact CG2-CG1 4.37Å; L199-V201 HydrophobicContact CD2-CG1 4.39Å; V201-G203 VanDerWaalsContact C-N 3.33Å; V201-G203 PolarHBondContact O-N 3.18Å
202	L	91.9	Very high	91.9	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	21%	0.206	C	C	.	.			trans	-90.2	6.9	-172.3	-58.8	178.9	0	0	0	114.1	A156 V165 F190 A192 Y209 S210	A156-L202 HydrophobicContact CB-CD2 4.48Å; V165-L202 HydrophobicContact CG2-CD1 4.24Å; V165-L202 HydrophobicContact CG2-CD2 3.72Å; F190-L202 PolarHBondContact O-N 2.92Å; A192-L202 HydrophobicContact CB-CD2 3.76Å; A192-L202 HydrophobicContact CB-CG 4.41Å; L202-Y209 HydrophobicContact CB-CD1 3.88Å; L202-Y209 HydrophobicContact CB-CE1 4.44Å; L202-Y209 HydrophobicContact CD1-CD1 3.67Å; L202-Y209 HydrophobicContact CD1-CE1 4.15Å; L202-Y209 HydrophobicContact CD2-CD1 4.34Å; L202-Y209 HydrophobicContact CD2-CE1 4.15Å; L202-Y209 HydrophobicContact CG-CD1 4.17Å; L202-Y209 HydrophobicContact CG-CE1 4.48Å; L202-S210 WeakPolarHBondContact CD1-OG 3.1Å
203	G	86.2	Confident	91.9	Very high	12 Å²	12	41.6 Å²	41.6	12%	0.124	21%	0.206	C	C	.	.			trans	75.5	-153.9	-179.8	0	0	0	0	0	114.4	F190 V201 N205 G206	F190-G203 WeakPolarHBondContact CE2-O 3.37Å; V201-G203 VanDerWaalsContact C-N 3.33Å; V201-G203 PolarHBondContact O-N 3.18Å; G203-N205 PolarHBondContact O-N 2.65Å; G203-G206 WeakPolarHBondContact O-CA 3.35Å; G203-G206 PolarHBondContact O-N 3.13Å
204	R	75.7	Confident	91.9	Very high	216 Å²	216	41.6 Å²	41.6	82%	0.815	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	136.6	-173.5	-69.9	-173.5	178	-171.8	0.7	112.2	G206	R204-G206 PolarHBondContact O-N 3.31Å; R204-G206 VanDerWaalsContact O-N 3.16Å
205	N	77.5	Confident	91.9	Very high	82 Å²	82	40.4 Å²	40.4	44%	0.439	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	29.6	-174.8	-65.5	-10.8	0	0	0	113.1	G203 S207 D208 Y209 H266	G203-N205 PolarHBondContact O-N 2.65Å; N205-S207 PolarHBondContact O-N 3.49Å; N205-S207 VanDerWaalsContact O-N 3.09Å; N205-D208 HydrophobicContact CB-CB 4.48Å; N205-D208 WeakPolarHBondContact CB-OD2 3.38Å; N205-D208 WeakPolarHBondContact O-CB 3.15Å; N205-D208 PolarHBondContact O-N 2.83Å; N205-Y209 PolarHBondContact O-N 2.72Å; N205-Y209 VanDerWaalsContact O-N 3.12Å; N205-H266 HydrophobicContact CB-CB 4.09Å
206	G	88.3	Confident	92	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-23.1	-172.3	0	0	0	0	0	114.2	G203 R204 S210	G203-G206 WeakPolarHBondContact O-CA 3.35Å; G203-G206 PolarHBondContact O-N 3.13Å; R204-G206 PolarHBondContact O-N 3.31Å; R204-G206 VanDerWaalsContact O-N 3.16Å; G206-S210 WeakPolarHBondContact O-CB 3.34Å; G206-S210 PolarHBondContact O-N 3.25Å; G206-S210 PolarHBondContact O-OG 3.24Å
207	S	92.6	Very high	92.1	Very high	10 Å²	10	25.4 Å²	25.4	7%	0.07	13%	0.134	C	C	.	.	H	α-helix	trans	-65.8	-40.2	169.6	-68.3	0	0	0	0	112.8	S38 N205 S210 A211	S38-S207 WeakPolarHBondContact OG-CB 3.2Å; S38-S207 PolarHBondContact OG-OG 2.81Å; N205-S207 PolarHBondContact O-N 3.49Å; N205-S207 VanDerWaalsContact O-N 3.09Å; S207-S210 WeakPolarHBondContact O-CB 3.34Å; S207-S210 PolarHBondContact O-N 3.29Å; S207-A211 PolarHBondContact O-N 2.87Å; S207-A211 VanDerWaalsContact O-N 3.12Å
208	D	92.6	Very high	92.1	Very high	14 Å²	14	24.9 Å²	24.9	8%	0.075	12%	0.118	C	C	.	.	H	α-helix	trans	-67.2	-43.2	176.4	-52.5	-30	0	0	0	109.5	K5 N205 S210 A211 A212 L265 T269	K5-D208 WeakPolarHBondContact CD-OD1 3.07Å; K5-D208 WeakPolarHBondContact CE-OD1 3.25Å; K5-D208 IonicContact NZ-OD1 2.69Å; K5-D208 PolarHBondContact NZ-OD1 3Å; N205-D208 HydrophobicContact CB-CB 4.48Å; N205-D208 WeakPolarHBondContact CB-OD2 3.38Å; N205-D208 WeakPolarHBondContact O-CB 3.15Å; N205-D208 PolarHBondContact O-N 2.83Å; D208-S210 VanDerWaalsContact C-N 3.31Å; D208-S210 PolarHBondContact O-N 3.38Å; D208-A211 WeakPolarHBondContact O-CB 3.34Å; D208-A211 PolarHBondContact O-N 2.89Å; D208-A211 VanDerWaalsContact O-N 3.15Å; D208-A212 PolarHBondContact O-N 3.33Å; D208-L265 HydrophobicContact CB-CD2 4.41Å; D208-T269 HydrophobicContact CB-CG2 3.67Å; D208-T269 WeakPolarHBondContact O-CG2 3.38Å
209	Y	94	Very high	92	Very high	11 Å²	11	28 Å²	28	4%	0.043	13%	0.127	C	C	.	.	H	α-helix	trans	-62	-38.8	175.2	-179.9	-121.7	0	0	0	112	T164 V165 L202 N205 A211 A212 V213 R268 T269 P272	T164-Y209 WeakPolarHBondContact CG2-OH 3.4Å; V165-Y209 HydrophobicContact CB-CE1 4.4Å; V165-Y209 HydrophobicContact CG2-CE1 3.98Å; V165-Y209 PolarHBondContact N-OH 3.06Å; L202-Y209 HydrophobicContact CB-CD1 3.88Å; L202-Y209 HydrophobicContact CB-CE1 4.44Å; L202-Y209 HydrophobicContact CD1-CD1 3.67Å; L202-Y209 HydrophobicContact CD1-CE1 4.15Å; L202-Y209 HydrophobicContact CD2-CD1 4.34Å; L202-Y209 HydrophobicContact CD2-CE1 4.15Å; L202-Y209 HydrophobicContact CG-CD1 4.17Å; L202-Y209 HydrophobicContact CG-CE1 4.48Å; N205-Y209 PolarHBondContact O-N 2.72Å; N205-Y209 VanDerWaalsContact O-N 3.12Å; Y209-A211 VanDerWaalsContact C-N 3.29Å; Y209-A211 PolarHBondContact O-N 2.91Å; Y209-A212 PolarHBondContact O-N 3.36Å; Y209-V213 HydrophobicContact CD1-CG2 4.31Å; Y209-V213 HydrophobicContact CD2-CG2 3.96Å; Y209-V213 HydrophobicContact CE1-CG2 3.98Å; Y209-V213 HydrophobicContact CE2-CG2 3.59Å; Y209-V213 HydrophobicContact CG-CG2 4.32Å; Y209-V213 WeakPolarHBondContact O-CB 3.44Å; Y209-V213 VanDerWaalsContact O-CG2 3.25Å; Y209-V213 WeakPolarHBondContact O-CG2 3.49Å; Y209-V213 PolarHBondContact O-N 3.37Å; Y209-R268 HydrophobicContact CD2-CB 4.39Å; Y209-R268 WeakPolarHBondContact CD2-O 3.45Å; Y209-R268 VanDerWaalsContact CE2-O 3.31Å; Y209-R268 WeakPolarHBondContact CE2-O 3.36Å; Y209-T269 PolarHBondContact N-OG1 3.46Å; Y209-P272 HydrophobicContact CD2-CG 4.05Å; Y209-P272 HydrophobicContact CE2-CG 3.58Å
210	S	95.6	Very high	91.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.9	-41.1	173.8	-56.8	0	0	0	0	111.6	F190 L202 G206 S207 D208 L214	F190-S210 PolarHBondContact N-OG 3.26Å; L202-S210 WeakPolarHBondContact CD1-OG 3.1Å; G206-S210 WeakPolarHBondContact O-CB 3.34Å; G206-S210 PolarHBondContact O-N 3.25Å; G206-S210 PolarHBondContact O-OG 3.24Å; S207-S210 WeakPolarHBondContact O-CB 3.34Å; S207-S210 PolarHBondContact O-N 3.29Å; D208-S210 VanDerWaalsContact C-N 3.31Å; D208-S210 PolarHBondContact O-N 3.38Å; S210-L214 VanDerWaalsContact O-CB 3.26Å; S210-L214 WeakPolarHBondContact O-CB 3.32Å; S210-L214 PolarHBondContact O-N 3.44Å
211	A	95.5	Very high	91.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-68.1	-43.2	176.5	0	0	0	0	0	112.4	V3 K5 V36 S207 D208 Y209 V213 L214 A215 I225	V3-A211 HydrophobicContact CG1-CB 4.18Å; K5-A211 HydrophobicContact CB-CB 3.58Å; K5-A211 HydrophobicContact CG-CB 3.96Å; V36-A211 HydrophobicContact CB-CB 4.1Å; V36-A211 HydrophobicContact CG2-CB 3.94Å; S207-A211 PolarHBondContact O-N 2.87Å; S207-A211 VanDerWaalsContact O-N 3.12Å; D208-A211 WeakPolarHBondContact O-CB 3.34Å; D208-A211 PolarHBondContact O-N 2.89Å; D208-A211 VanDerWaalsContact O-N 3.15Å; Y209-A211 VanDerWaalsContact C-N 3.29Å; Y209-A211 PolarHBondContact O-N 2.91Å; A211-V213 VanDerWaalsContact C-N 3.34Å; A211-V213 PolarHBondContact O-N 3.1Å; A211-L214 PolarHBondContact O-N 2.79Å; A211-A215 VanDerWaalsContact O-CB 3.26Å; A211-A215 WeakPolarHBondContact O-CB 3.48Å; A211-A215 PolarHBondContact O-N 3.37Å; A211-I225 HydrophobicContact CB-CD1 4.2Å
212	A	95	Very high	91.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.9	-42.5	174.9	0	0	0	0	0	112.3	D208 Y209 A215 A216 T269 P272 I273	D208-A212 PolarHBondContact O-N 3.33Å; Y209-A212 PolarHBondContact O-N 3.36Å; A212-A215 PolarHBondContact O-N 3.42Å; A212-A216 WeakPolarHBondContact O-CB 3.32Å; A212-A216 PolarHBondContact O-N 2.95Å; A212-T269 HydrophobicContact CB-CG2 3.88Å; A212-T269 WeakPolarHBondContact CB-O 3.47Å; A212-P272 HydrophobicContact CB-CB 4.24Å; A212-P272 HydrophobicContact CB-CG 4.29Å; A212-I273 HydrophobicContact CB-CG2 3.86Å
213	V	95.9	Very high	91.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-46.2	175.7	166.5	0	0	0	0	111.1	L154 V165 Y209 A211 A215 A216 C217 P272	L154-V213 HydrophobicContact CD1-CG1 4.43Å; L154-V213 HydrophobicContact CD2-CG1 3.91Å; V165-V213 HydrophobicContact CB-CG1 3.98Å; V165-V213 HydrophobicContact CB-CG2 4.02Å; V165-V213 HydrophobicContact CG1-CG1 3.58Å; V165-V213 HydrophobicContact CG1-CG2 4.5Å; V165-V213 HydrophobicContact CG2-CG1 4.24Å; V165-V213 HydrophobicContact CG2-CG2 4.23Å; Y209-V213 HydrophobicContact CD1-CG2 4.31Å; Y209-V213 HydrophobicContact CD2-CG2 3.96Å; Y209-V213 HydrophobicContact CE1-CG2 3.98Å; Y209-V213 HydrophobicContact CE2-CG2 3.59Å; Y209-V213 HydrophobicContact CG-CG2 4.32Å; Y209-V213 WeakPolarHBondContact O-CB 3.44Å; Y209-V213 VanDerWaalsContact O-CG2 3.25Å; Y209-V213 WeakPolarHBondContact O-CG2 3.49Å; Y209-V213 PolarHBondContact O-N 3.37Å; A211-V213 VanDerWaalsContact C-N 3.34Å; A211-V213 PolarHBondContact O-N 3.1Å; V213-A215 VanDerWaalsContact C-N 3.32Å; V213-A215 PolarHBondContact O-N 3.06Å; V213-A216 WeakPolarHBondContact O-CB 3.15Å; V213-A216 PolarHBondContact O-N 3.18Å; V213-C217 WeakPolarHBondContact O-CB 3.27Å; V213-C217 PolarHBondContact O-N 3.3Å; V213-C217 PolarHBondContact O-SG 3.34Å; V213-P272 HydrophobicContact CG2-CG 4.28Å
214	L	96.1	Very high	92.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-42.4	177.5	-175.9	61.8	0	0	0	111.1	V3 A34 V36 I148 I174 M187 S210 A211 A216 C217 L218	V3-L214 HydrophobicContact CG1-CD2 4.32Å; V3-L214 HydrophobicContact CG2-CG 4.44Å; A34-L214 HydrophobicContact CB-CD2 4.14Å; V36-L214 HydrophobicContact CG2-CD2 3.73Å; I148-L214 HydrophobicContact CD1-CD1 4.02Å; I174-L214 HydrophobicContact CD1-CD1 3.99Å; M187-L214 HydrophobicContact CB-CD2 4.23Å; M187-L214 HydrophobicContact CE-CB 3.93Å; M187-L214 HydrophobicContact CE-CD2 3.97Å; M187-L214 HydrophobicContact CE-CG 4.36Å; M187-L214 HydrophobicContact SD-CD1 4.04Å; M187-L214 HydrophobicContact SD-CD2 4.14Å; M187-L214 HydrophobicContact SD-CG 4.47Å; S210-L214 VanDerWaalsContact O-CB 3.26Å; S210-L214 WeakPolarHBondContact O-CB 3.32Å; S210-L214 PolarHBondContact O-N 3.44Å; A211-L214 PolarHBondContact O-N 2.79Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 3.25Å; L214-C217 PolarHBondContact O-N 3.4Å; L214-L218 HydrophobicContact CD1-CD1 3.64Å; L214-L218 HydrophobicContact CD1-CG 4.03Å; L214-L218 HydrophobicContact CD2-CD1 4.42Å; L214-L218 HydrophobicContact CG-CD1 3.74Å; L214-L218 HydrophobicContact CG-CG 4.42Å; L214-L218 WeakPolarHBondContact O-CB 3.49Å; L214-L218 WeakPolarHBondContact O-CG 3.08Å; L214-L218 PolarHBondContact O-N 3.39Å
215	A	95.8	Very high	93.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.6	-44.3	174.2	0	0	0	0	0	111.6	V3 A211 A212 V213 L218 R219 A220 C223 I278	V3-A215 HydrophobicContact CB-CB 4.03Å; V3-A215 HydrophobicContact CG1-CB 4.48Å; V3-A215 HydrophobicContact CG2-CB 3.88Å; A211-A215 VanDerWaalsContact O-CB 3.26Å; A211-A215 WeakPolarHBondContact O-CB 3.48Å; A211-A215 PolarHBondContact O-N 3.37Å; A212-A215 PolarHBondContact O-N 3.42Å; V213-A215 VanDerWaalsContact C-N 3.32Å; V213-A215 PolarHBondContact O-N 3.06Å; A215-L218 PolarHBondContact O-N 3.48Å; A215-R219 WeakPolarHBondContact O-CA 3.36Å; A215-R219 PolarHBondContact O-N 3.5Å; A215-A220 HydrophobicContact CB-CB 3.99Å; A215-A220 PolarHBondContact O-N 2.99Å; A215-C223 HydrophobicContact CB-CB 3.98Å; A215-I278 VanDerWaalsContact C-CD1 3.41Å; A215-I278 HydrophobicContact CB-CD1 4.12Å; A215-I278 HydrophobicContact CB-CG2 4.39Å; A215-I278 VanDerWaalsContact O-CD1 3.24Å; A215-I278 WeakPolarHBondContact O-CD1 3.5Å
216	A	95.3	Very high	94	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.5	-44.7	175.1	0	0	0	0	0	112.5	I167 A212 V213 L214 R219 P272 F276 I278	I167-A216 HydrophobicContact CD1-CB 4.32Å; I167-A216 HydrophobicContact CG2-CB 3.89Å; A212-A216 WeakPolarHBondContact O-CB 3.32Å; A212-A216 PolarHBondContact O-N 2.95Å; V213-A216 WeakPolarHBondContact O-CB 3.15Å; V213-A216 PolarHBondContact O-N 3.18Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 3.25Å; A216-R219 PolarHBondContact O-N 2.92Å; A216-R219 PolarHBondContact O-NH1 2.74Å; A216-P272 HydrophobicContact CB-CB 4.26Å; A216-F276 HydrophobicContact CB-CD2 3.45Å; A216-F276 VanDerWaalsContact CB-CD2 3.45Å; A216-F276 HydrophobicContact CB-CE2 3.84Å; A216-F276 HydrophobicContact CB-CG 4.25Å; A216-I278 HydrophobicContact CB-CD1 4.47Å
217	C	94.8	Very high	94.1	Very high	8 Å²	8	19.3 Å²	19.3	5%	0.054	10%	0.096	C	C	.	.	H	α-helix	trans	-66.8	-38.4	-179.9	-66.2	0	0	0	0	112.6	T171 I174 V213 L214 R219	T171-C217 WeakPolarHBondContact OG1-CA 2.96Å; I174-C217 HydrophobicContact CD1-CB 3.6Å; V213-C217 WeakPolarHBondContact O-CB 3.27Å; V213-C217 PolarHBondContact O-N 3.3Å; V213-C217 PolarHBondContact O-SG 3.34Å; L214-C217 PolarHBondContact O-N 3.4Å; C217-R219 VanDerWaalsContact C-N 3.34Å
218	L	92.9	Very high	93.9	Very high	40 Å²	40	23.9 Å²	23.9	21%	0.209	12%	0.119	C	C	.	.	H	α-helix	trans	-87.1	-2.8	-179.6	-65.9	174.3	0	0	0	113.5	M1 V3 A34 I174 L214 A215 A220	M1-L218 HydrophobicContact SD-CB 3.92Å; M1-L218 HydrophobicContact SD-CD1 3.67Å; M1-L218 HydrophobicContact SD-CD2 4.34Å; M1-L218 HydrophobicContact SD-CG 4.19Å; V3-L218 HydrophobicContact CG2-CD1 4.43Å; A34-L218 HydrophobicContact CB-CD1 3.84Å; I174-L218 HydrophobicContact CG2-CD2 3.62Å; I174-L218 HydrophobicContact CG2-CG 4.49Å; L214-L218 HydrophobicContact CD1-CD1 3.64Å; L214-L218 HydrophobicContact CD1-CG 4.03Å; L214-L218 HydrophobicContact CD2-CD1 4.42Å; L214-L218 HydrophobicContact CG-CD1 3.74Å; L214-L218 HydrophobicContact CG-CG 4.42Å; L214-L218 WeakPolarHBondContact O-CB 3.49Å; L214-L218 WeakPolarHBondContact O-CG 3.08Å; L214-L218 PolarHBondContact O-N 3.39Å; A215-L218 PolarHBondContact O-N 3.48Å; L218-A220 PolarHBondContact O-N 2.9Å
219	R	91.7	Very high	93.7	Very high	144 Å²	144	26 Å²	26	54%	0.543	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	48.1	-171	-62	-68.7	-171	-120	9.2	111.1	A215 A216 C217 F276	A215-R219 WeakPolarHBondContact O-CA 3.36Å; A215-R219 PolarHBondContact O-N 3.5Å; A216-R219 PolarHBondContact O-N 2.92Å; A216-R219 PolarHBondContact O-NH1 2.74Å; C217-R219 VanDerWaalsContact C-N 3.34Å; R219-F276 VanDerWaalsContact CZ-CD1 3.48Å; R219-F276 VanDerWaalsContact NH2-CE1 3.33Å
220	A	93.2	Very high	93.6	Very high	6 Å²	6	27.1 Å²	27.1	5%	0.05	14%	0.139	C	C	.	.			trans	-63.4	147.4	-177.2	0	0	0	0	0	111.4	M1 V3 A215 L218 C222	M1-A220 CarbonylContact O-C 3.54Å; M1-A220 WeakPolarHBondContact O-CA 3.49Å; V3-A220 HydrophobicContact CG2-CB 3.77Å; A215-A220 HydrophobicContact CB-CB 3.99Å; A215-A220 PolarHBondContact O-N 2.99Å; L218-A220 PolarHBondContact O-N 2.9Å; A220-C222 VanDerWaalsContact C-N 3.26Å; A220-C222 PolarHBondContact O-N 3.49Å
221	D	93	Very high	93.4	Very high	113 Å²	113	27.3 Å²	27.3	60%	0.604	14%	0.141	S	C	*	.	S	Bend	trans	-71.6	-26.8	177.7	-56.2	-49	0	0	0	111.4	M1 P279	M1-D221 PolarHBondContact N-OD2 3.13Å; M1-D221 PolarHBondContact O-N 2.76Å; D221-P279 VanDerWaalsContact O-CD 3.27Å; D221-P279 WeakPolarHBondContact O-CD 3.34Å; D221-P279 WeakPolarHBondContact O-CG 3.36Å
222	C	93.6	Very high	93.3	Very high	18 Å²	18	27.5 Å²	27.5	12%	0.122	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	144.7	-179.2	-174.8	0	0	0	0	110.7	V3 A220 P279	V3-C222 PolarHBondContact N-O 3.02Å; A220-C222 VanDerWaalsContact C-N 3.26Å; A220-C222 PolarHBondContact O-N 3.49Å; C222-P279 WeakPolarHBondContact CA-O 3.32Å; C222-P279 HydrophobicContact CB-CG 4.4Å
223	C	95.6	Very high	93.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	107.2	169.9	-177.6	0	0	0	0	110	V3 A215 I273 I278 P279 C280 L281	V3-C223 CarbonylContact O-C 3.58Å; V3-C223 WeakPolarHBondContact O-CA 3.49Å; A215-C223 HydrophobicContact CB-CB 3.98Å; C223-I273 HydrophobicContact CB-CG2 4.25Å; C223-I278 HydrophobicContact CB-CG2 4.23Å; C223-P279 PolarHBondContact N-O 3.49Å; C223-C280 HydrophobicContact CB-CB 4.46Å; C223-C280 CarbonylContact O-C 3.45Å; C223-C280 WeakPolarHBondContact O-CA 3.32Å; C223-C280 PolarHBondContact O-SG 2.87Å; C223-L281 PolarHBondContact O-N 3.34Å
224	E	95.4	Very high	92.9	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.033	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.9	178.7	-57.1	-176.4	-174.7	0	0	110.7	R2 V3 L4 K5 W226 L281	R2-E224 WeakPolarHBondContact CD-OE1 3.38Å; R2-E224 IonicContact NH1-OE1 2.97Å; V3-E224 PolarHBondContact O-N 3.27Å; L4-E224 CarbonylContact C-O 3.56Å; L4-E224 WeakPolarHBondContact CA-O 3.5Å; L4-E224 HydrophobicContact CD1-CB 4.42Å; L4-E224 HydrophobicContact CD1-CG 4.39Å; L4-E224 HydrophobicContact CG-CB 4.1Å; L4-E224 HydrophobicContact CG-CG 4.49Å; K5-E224 PolarHBondContact N-O 3.3Å; E224-W226 VanDerWaalsContact OE2-CZ2 3.29Å; E224-W226 WeakPolarHBondContact OE2-CZ2 3.37Å; E224-W226 PolarHBondContact OE2-NE1 3.43Å; E224-L281 CarbonylContact C-O 3.56Å; E224-L281 WeakPolarHBondContact CA-O 3.38Å; E224-L281 HydrophobicContact CG-CB 4.35Å
225	I	94.5	Very high	92.6	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	106.9	175	-54.5	-61.8	0	0	0	108	K5 A211 T227 L265 L281 I282 K283	K5-I225 HydrophobicContact CB-CD1 3.68Å; K5-I225 HydrophobicContact CD-CD1 4.37Å; K5-I225 HydrophobicContact CD-CG2 4.2Å; K5-I225 HydrophobicContact CG-CD1 4.33Å; A211-I225 HydrophobicContact CB-CD1 4.2Å; I225-T227 HydrophobicContact CG2-CG2 3.86Å; I225-L265 HydrophobicContact CB-CD2 4.5Å; I225-L265 HydrophobicContact CG1-CD2 4.03Å; I225-L265 HydrophobicContact CG2-CD2 4.23Å; I225-L281 PolarHBondContact N-O 2.91Å; I225-I282 HydrophobicContact CB-CD1 3.83Å; I225-I282 HydrophobicContact CG1-CD1 4.2Å; I225-I282 HydrophobicContact CG2-CD1 4.42Å; I225-K283 PolarHBondContact O-N 3.02Å
226	W	93.8	Very high	92.3	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119.4	-179.9	-66	81.7	0	0	0	110.5	K5 F6 G7 S10 I23 E224 K283 N284 P288	K5-W226 WeakPolarHBondContact O-CA 3.28Å; K5-W226 VanDerWaalsContact O-CB 3.29Å; K5-W226 WeakPolarHBondContact O-CB 3.37Å; K5-W226 PolarHBondContact O-N 3.26Å; F6-W226 HydrophobicContact CD1-CB 3.43Å; F6-W226 VanDerWaalsContact CD1-CB 3.43Å; F6-W226 AromaticContact CD1-CG 3.85Å; F6-W226 HydrophobicContact CD1-CG 3.85Å; F6-W226 HydrophobicContact CE1-CB 3.56Å; F6-W226 AromaticContact CE1-CD1 3.8Å; F6-W226 AromaticContact CE1-CD2 3.81Å; F6-W226 HydrophobicContact CE1-CD2 3.81Å; F6-W226 HydrophobicContact CE1-CE3 4.39Å; F6-W226 AromaticContact CE1-CG 3.42Å; F6-W226 HydrophobicContact CE1-CG 3.42Å; F6-W226 VanDerWaalsContact CE1-CG 3.42Å; F6-W226 HydrophobicContact CG-CB 4.22Å; F6-W226 HydrophobicContact CZ-CB 4.42Å; F6-W226 AromaticContact CZ-CD1 3.84Å; F6-W226 HydrophobicContact CZ-CD2 4.32Å; F6-W226 AromaticContact CZ-CG 3.94Å; F6-W226 HydrophobicContact CZ-CG 3.94Å; G7-W226 PolarHBondContact N-O 3.19Å; S10-W226 PolarHBondContact OG-O 3.5Å; I23-W226 HydrophobicContact CD1-CD2 4.49Å; I23-W226 HydrophobicContact CD1-CE3 3.92Å; I23-W226 HydrophobicContact CD1-CH2 4.12Å; I23-W226 HydrophobicContact CD1-CZ3 3.71Å; I23-W226 HydrophobicContact CG1-CH2 4.29Å; I23-W226 HydrophobicContact CG1-CZ3 4.35Å; I23-W226 HydrophobicContact CG2-CD2 4.4Å; I23-W226 HydrophobicContact CG2-CH2 3.71Å; I23-W226 HydrophobicContact CG2-CZ2 3.42Å; I23-W226 VanDerWaalsContact CG2-CZ2 3.42Å; I23-W226 HydrophobicContact CG2-CZ3 4.33Å; E224-W226 VanDerWaalsContact OE2-CZ2 3.29Å; E224-W226 WeakPolarHBondContact OE2-CZ2 3.37Å; E224-W226 PolarHBondContact OE2-NE1 3.43Å; W226-K283 CarbonylContact C-O 3.53Å; W226-K283 WeakPolarHBondContact CA-O 3.09Å; W226-K283 HydrophobicContact CD2-CB 3.88Å; W226-K283 HydrophobicContact CE3-CB 3.73Å; W226-K283 HydrophobicContact CH2-CB 4.28Å; W226-K283 HydrophobicContact CH2-CD 3.8Å; W226-K283 HydrophobicContact CZ2-CB 4.38Å; W226-K283 HydrophobicContact CZ2-CD 3.63Å; W226-K283 HydrophobicContact CZ3-CB 3.95Å; W226-K283 HydrophobicContact CZ3-CD 4.32Å; W226-N284 WeakPolarHBondContact CZ3-O 3.5Å; W226-P288 HydrophobicContact CH2-CB 4.01Å; W226-P288 HydrophobicContact CZ3-CB 3.85Å; W226-P288 HydrophobicContact CZ3-CG 4.33Å
227	T	90.1	Very high	91.8	Very high	28 Å²	28	35.4 Å²	35.4	17%	0.172	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	-163.6	-175.2	76.6	0	0	0	0	110.2	I225 V229 I282 K283 N284 T285	I225-T227 HydrophobicContact CG2-CG2 3.86Å; T227-V229 VanDerWaalsContact OG1-CG2 3.32Å; T227-V229 WeakPolarHBondContact OG1-CG2 3.48Å; T227-V229 PolarHBondContact OG1-N 3.47Å; T227-V229 PolarHBondContact OG1-O 3.26Å; T227-I282 HydrophobicContact CG2-CG2 4.44Å; T227-K283 PolarHBondContact N-O 3.08Å; T227-N284 PolarHBondContact O-OD1 3.24Å; T227-T285 PolarHBondContact O-N 2.86Å; T227-T285 PolarHBondContact O-OG1 3.02Å
228	D	87	Confident	91.3	Very high	105 Å²	105	44.2 Å²	44.2	56%	0.561	22%	0.216	S	C	*	.	S	Bend	trans	-97.4	6.3	174.8	59.1	-19.6	0	0	0	114.1
229	V	88.8	Confident	90.8	Very high	58 Å²	58	44.5 Å²	44.5	35%	0.352	22%	0.216	S	C	.	.	S	Bend	trans	-124.9	150.6	178.2	-65.6	0	0	0	0	111.9	T227 G231 K283 N284	T227-V229 VanDerWaalsContact OG1-CG2 3.32Å; T227-V229 WeakPolarHBondContact OG1-CG2 3.48Å; T227-V229 PolarHBondContact OG1-N 3.47Å; T227-V229 PolarHBondContact OG1-O 3.26Å; V229-G231 WeakPolarHBondContact CG2-O 3.5Å; V229-G231 PolarHBondContact O-N 3Å; V229-G231 VanDerWaalsContact O-N 3.15Å; V229-K283 CarbonylContact O-C 3.47Å; V229-N284 WeakPolarHBondContact O-CA 3.43Å; V229-N284 VanDerWaalsContact O-CB 3.32Å; V229-N284 WeakPolarHBondContact O-CB 3.39Å; V229-N284 PolarHBondContact O-N 2.89Å
230	D	91.9	Very high	90.4	Very high	35 Å²	35	37.8 Å²	37.8	19%	0.187	19%	0.191	C	C	.	.	S	Bend	trans	-66.3	-12.6	-176.8	-73.1	-6.7	0	0	0	114.1	L245 N284 N287 A290 G292	D230-L245 HydrophobicContact CB-CD1 4.39Å; D230-L245 HydrophobicContact CB-CD2 4.18Å; D230-N284 WeakPolarHBondContact OD1-CB 3.46Å; D230-N284 PolarHBondContact OD1-ND2 2.89Å; D230-N287 PolarHBondContact OD2-ND2 3.48Å; D230-A290 HydrophobicContact CB-CB 4.13Å; D230-G292 VanDerWaalsContact O-CA 3.25Å; D230-G292 WeakPolarHBondContact O-CA 3.45Å
231	G	92.1	Very high	89.4	Confident	4 Å²	4	42.9 Å²	42.9	4%	0.041	22%	0.224	C	C	.	.	S	Bend	trans	158.4	-151.7	176.1	0	0	0	0	0	110.8	V229	V229-G231 WeakPolarHBondContact CG2-O 3.5Å; V229-G231 PolarHBondContact O-N 3Å; V229-G231 VanDerWaalsContact O-N 3.15Å
232	V	92.2	Very high	88.7	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.03	22%	0.22	C	C	.	.			trans	-92	125.7	175.9	-173.1	0	0	0	0	109	L246 M249 V264 I282 T293	V232-L246 HydrophobicContact CB-CD1 4.41Å; V232-L246 HydrophobicContact CG1-CD1 4.07Å; V232-L246 WeakPolarHBondContact O-CB 3.44Å; V232-L246 PolarHBondContact O-N 3.12Å; V232-M249 HydrophobicContact CB-SD 4.28Å; V232-M249 HydrophobicContact CG1-SD 4.13Å; V232-M249 HydrophobicContact CG2-SD 4.06Å; V232-V264 HydrophobicContact CB-CG2 4.45Å; V232-V264 HydrophobicContact CG1-CG1 4.42Å; V232-V264 HydrophobicContact CG1-CG2 3.68Å; V232-V264 HydrophobicContact CG2-CB 4.41Å; V232-V264 HydrophobicContact CG2-CG1 3.43Å; V232-V264 VanDerWaalsContact CG2-CG1 3.43Å; V232-V264 HydrophobicContact CG2-CG2 4.07Å; V232-I282 HydrophobicContact CG2-CG1 4.04Å; V232-T293 HydrophobicContact CB-CG2 4Å; V232-T293 HydrophobicContact CG2-CG2 4.07Å; V232-T293 PolarHBondContact N-OG1 3.46Å; V232-T293 PolarHBondContact O-OG1 3.4Å
233	Y	91.7	Very high	88.4	Confident	62 Å²	62	42 Å²	42	24%	0.243	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-96.6	156.3	175.9	-72.6	-100.2	0	0	0	110.9	C235 P237 A243 R244 L245	Y233-C235 WeakPolarHBondContact CB-O 3.48Å; Y233-C235 PolarHBondContact O-N 3.48Å; Y233-C235 VanDerWaalsContact O-N 3.09Å; Y233-P237 HydrophobicContact CD1-CB 4.36Å; Y233-P237 HydrophobicContact CD2-CG 4.24Å; Y233-P237 HydrophobicContact CG-CG 4.24Å; Y233-A243 HydrophobicContact CD1-CB 4.14Å; Y233-R244 CarbonylContact C-O 3.54Å; Y233-R244 VanDerWaalsContact CA-O 3.27Å; Y233-R244 WeakPolarHBondContact CA-O 3.42Å; Y233-L245 HydrophobicContact CD1-CB 4.41Å; Y233-L245 HydrophobicContact CD2-CD1 4.36Å; Y233-L245 HydrophobicContact CE1-CB 4.06Å; Y233-L245 HydrophobicContact CE2-CD1 4.04Å
234	T	91.2	Very high	88	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-56.8	-22.7	175	51.9	0	0	0	0	113.6	R244 L246 K307 G308 I309 H456 F460	T234-R244 HydrophobicContact CG2-CB 4.03Å; T234-R244 PolarHBondContact N-O 3.48Å; T234-R244 PolarHBondContact OG1-N 2.97Å; T234-L246 HydrophobicContact CG2-CD2 3.77Å; T234-L246 HydrophobicContact CG2-CG 4.38Å; T234-K307 WeakPolarHBondContact CA-O 3.07Å; T234-G308 CarbonylContact O-C 3.52Å; T234-G308 WeakPolarHBondContact O-CA 3.45Å; T234-I309 PolarHBondContact O-N 3.41Å; T234-H456 PolarHBondContact OG1-CD2 3.28Å; T234-H456 PolarHBondContact OG1-NE2 3.14Å; T234-F460 HydrophobicContact CG2-CD1 3.77Å; T234-F460 HydrophobicContact CG2-CE1 3.3Å; T234-F460 HydrophobicContact CG2-CE2 4.32Å; T234-F460 HydrophobicContact CG2-CG 4.45Å; T234-F460 HydrophobicContact CG2-CZ 3.61Å
235	C	90.3	Very high	87.8	Confident	8 Å²	8	49 Å²	49	5%	0.054	25%	0.249	C	C	.	.	S	Bend	trans	-162.8	176.6	172.1	53.2	0	0	0	0	108	Y233 P237 V240 I309 V452 H456	Y233-C235 WeakPolarHBondContact CB-O 3.48Å; Y233-C235 PolarHBondContact O-N 3.48Å; Y233-C235 VanDerWaalsContact O-N 3.09Å; C235-P237 VanDerWaalsContact O-CD 3.24Å; C235-P237 WeakPolarHBondContact O-CD 3.33Å; C235-P237 VanDerWaalsContact O-N 3.15Å; C235-V240 VanDerWaalsContact SG-CB 3.53Å; C235-I309 HydrophobicContact CB-CB 4.48Å; C235-V452 HydrophobicContact CB-CG1 4.03Å; C235-H456 PolarHBondContact SG-CD2 3.1Å
236	D	88.6	Confident	87.7	Confident	42 Å²	42	49 Å²	49	23%	0.225	25%	0.249	C	C	.	.			trans	-63.6	114.3	178.7	-172.3	-18.3	0	0	0	110.5	R238 Q239 V240	D236-R238 PolarHBondContact O-N 3.05Å; D236-R238 VanDerWaalsContact O-N 3.08Å; D236-R238 WeakPolarHBondContact OD1-CB 3.44Å; D236-R238 IonicContact OD1-CZ 3.62Å; D236-R238 PolarHBondContact OD1-N 3.49Å; D236-R238 IonicContact OD1-NE 3.95Å; D236-R238 PolarHBondContact OD1-NE 2.87Å; D236-R238 IonicContact OD1-NH2 3.84Å; D236-R238 IonicContact OD2-CZ 2.84Å; D236-R238 IonicContact OD2-NE 3.56Å; D236-R238 PolarHBondContact OD2-NE 3.4Å; D236-R238 IonicContact OD2-NH2 3.9Å; D236-R238 PolarHBondContact OD2-NH2 3.21Å; D236-Q239 HydrophobicContact CB-CB 4.28Å; D236-Q239 HydrophobicContact CB-CG 4.1Å; D236-Q239 PolarHBondContact O-N 3.39Å; D236-Q239 PolarHBondContact OD2-NE2 3.34Å; D236-V240 PolarHBondContact O-N 2.93Å
237	P	86.3	Confident	87.6	Confident	54 Å²	54	54.2 Å²	54.2	35%	0.351	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.7	-176	26.6	-34.9	0	0	0	113.1	Y233 C235 V240 A243	Y233-P237 HydrophobicContact CD1-CB 4.36Å; Y233-P237 HydrophobicContact CD2-CG 4.24Å; Y233-P237 HydrophobicContact CG-CG 4.24Å; C235-P237 VanDerWaalsContact O-CD 3.24Å; C235-P237 WeakPolarHBondContact O-CD 3.33Å; C235-P237 VanDerWaalsContact O-N 3.15Å; P237-V240 WeakPolarHBondContact CA-O 3.49Å; P237-A243 HydrophobicContact CB-CB 4.09Å
238	R	84.3	Confident	87.6	Confident	192 Å²	192	53 Å²	53	73%	0.725	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-25.5	173.4	-58.8	171.1	-65	-172.8	1.6	112.5	D236	D236-R238 PolarHBondContact O-N 3.05Å; D236-R238 VanDerWaalsContact O-N 3.08Å; D236-R238 WeakPolarHBondContact OD1-CB 3.44Å; D236-R238 IonicContact OD1-CZ 3.62Å; D236-R238 PolarHBondContact OD1-N 3.49Å; D236-R238 IonicContact OD1-NE 3.95Å; D236-R238 PolarHBondContact OD1-NE 2.87Å; D236-R238 IonicContact OD1-NH2 3.84Å; D236-R238 IonicContact OD2-CZ 2.84Å; D236-R238 IonicContact OD2-NE 3.56Å; D236-R238 PolarHBondContact OD2-NE 3.4Å; D236-R238 IonicContact OD2-NH2 3.9Å; D236-R238 PolarHBondContact OD2-NH2 3.21Å
239	Q	81.7	Confident	87.8	Confident	47 Å²	47	48.3 Å²	48.3	22%	0.22	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-36.1	177.2	-64.9	179.3	51.7	0	0	111.3	D236 T449	D236-Q239 HydrophobicContact CB-CB 4.28Å; D236-Q239 HydrophobicContact CB-CG 4.1Å; D236-Q239 PolarHBondContact O-N 3.39Å; D236-Q239 PolarHBondContact OD2-NE2 3.34Å; Q239-T449 HydrophobicContact CB-CG2 4.29Å; Q239-T449 HydrophobicContact CG-CG2 4.46Å
240	V	82.4	Confident	88	Confident	3 Å²	3	46 Å²	46	2%	0.018	23%	0.226	C	C	.	.			trans	-129.5	105.1	-177.5	-176.1	0	0	0	0	109.5	C235 D236 P237 D242 A243 V452 R453 H456	C235-V240 VanDerWaalsContact SG-CB 3.53Å; D236-V240 PolarHBondContact O-N 2.93Å; P237-V240 WeakPolarHBondContact CA-O 3.49Å; V240-D242 HydrophobicContact CG1-CB 4.47Å; V240-D242 PolarHBondContact O-N 2.89Å; V240-A243 VanDerWaalsContact O-CB 3.24Å; V240-A243 WeakPolarHBondContact O-CB 3.42Å; V240-A243 PolarHBondContact O-N 3.47Å; V240-A243 VanDerWaalsContact O-N 3.13Å; V240-V452 HydrophobicContact CG2-CG1 4.14Å; V240-R453 HydrophobicContact CG2-CB 4.09Å; V240-R453 HydrophobicContact CG2-CG 4.4Å; V240-H456 HydrophobicContact CG1-CB 4.35Å
241	P	73.1	Confident	88	Confident	113 Å²	113	45 Å²	45	73%	0.734	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.8	-179.4	-26.6	35.4	0	0	0	114.4	A243	P241-A243 PolarHBondContact O-N 3.35Å
242	D	77.9	Confident	87.9	Confident	97 Å²	97	49.7 Å²	49.7	52%	0.519	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	7.5	179.5	-64.1	-24.4	0	0	0	113.4	V240 R244 H456	V240-D242 HydrophobicContact CG1-CB 4.47Å; V240-D242 PolarHBondContact O-N 2.89Å; D242-R244 PolarHBondContact O-N 2.97Å; D242-H456 PolarHBondContact O-CE1 2.94Å; D242-H456 VanDerWaalsContact O-CE1 3.22Å
243	A	87.5	Confident	87.8	Confident	14 Å²	14	49.6 Å²	49.6	12%	0.116	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-58	131.8	178.5	0	0	0	0	0	111.1	Y233 P237 V240 P241	Y233-A243 HydrophobicContact CD1-CB 4.14Å; P237-A243 HydrophobicContact CB-CB 4.09Å; V240-A243 VanDerWaalsContact O-CB 3.24Å; V240-A243 WeakPolarHBondContact O-CB 3.42Å; V240-A243 PolarHBondContact O-N 3.47Å; V240-A243 VanDerWaalsContact O-N 3.13Å; P241-A243 PolarHBondContact O-N 3.35Å
244	R	88.2	Confident	87.8	Confident	103 Å²	103	46.7 Å²	46.7	39%	0.389	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-99.5	140.7	-177.5	-59.2	-174.8	-173.1	162.2	8.8	110.2	Y233 T234 D242 F460 N461	Y233-R244 CarbonylContact C-O 3.54Å; Y233-R244 VanDerWaalsContact CA-O 3.27Å; Y233-R244 WeakPolarHBondContact CA-O 3.42Å; T234-R244 HydrophobicContact CG2-CB 4.03Å; T234-R244 PolarHBondContact N-O 3.48Å; T234-R244 PolarHBondContact OG1-N 2.97Å; D242-R244 PolarHBondContact O-N 2.97Å; R244-F460 VanDerWaalsContact CZ-O 3.27Å; R244-F460 PolarHBondContact NH1-O 3.18Å; R244-F460 VanDerWaalsContact NH1-O 3.11Å; R244-F460 PolarHBondContact NH2-O 3.1Å; R244-N461 PolarHBondContact NH2-OD1 3.04Å
245	L	90.5	Very high	87.7	Confident	53 Å²	53	49.9 Å²	49.9	28%	0.277	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-72.3	125.7	171.5	-179.8	65.7	0	0	0	109.1	D230 Y233 P291	D230-L245 HydrophobicContact CB-CD1 4.39Å; D230-L245 HydrophobicContact CB-CD2 4.18Å; Y233-L245 HydrophobicContact CD1-CB 4.41Å; Y233-L245 HydrophobicContact CD2-CD1 4.36Å; Y233-L245 HydrophobicContact CE1-CB 4.06Å; Y233-L245 HydrophobicContact CE2-CD1 4.04Å; L245-P291 HydrophobicContact CD2-CG 4.28Å
246	L	91.4	Very high	87.6	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-78.7	138.2	175.2	-62.3	174.8	0	0	0	110	V232 T234 T293 L304 K307	V232-L246 HydrophobicContact CB-CD1 4.41Å; V232-L246 HydrophobicContact CG1-CD1 4.07Å; V232-L246 WeakPolarHBondContact O-CB 3.44Å; V232-L246 PolarHBondContact O-N 3.12Å; T234-L246 HydrophobicContact CG2-CD2 3.77Å; T234-L246 HydrophobicContact CG2-CG 4.38Å; L246-T293 HydrophobicContact CB-CG2 3.93Å; L246-T293 WeakPolarHBondContact O-CB 3.49Å; L246-T293 WeakPolarHBondContact O-CG2 3.01Å; L246-T293 PolarHBondContact O-OG1 3.4Å; L246-L304 HydrophobicContact CD2-CD1 4.31Å; L246-K307 HydrophobicContact CD1-CB 4.23Å; L246-K307 WeakPolarHBondContact CD1-O 3.24Å; L246-K307 HydrophobicContact CD2-CD 4.41Å; L246-K307 WeakPolarHBondContact CD2-O 3.22Å
247	K	91.6	Very high	87.7	Confident	115 Å²	115	50.4 Å²	50.4	50%	0.5	25%	0.245	S	C	.	.	S	Bend	trans	-79	-39.5	171.1	-61.4	174.7	-164.9	163.6	0	110.6	L294 D302	K247-L294 PolarHBondContact O-N 3.19Å; K247-D302 WeakPolarHBondContact CB-OD1 3.5Å; K247-D302 WeakPolarHBondContact CD-OD1 3.23Å; K247-D302 WeakPolarHBondContact CG-OD1 3.27Å; K247-D302 PolarHBondContact N-OD2 3.46Å
248	S	91.7	Very high	87.7	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	150.1	-172.7	57.4	0	0	0	0	113.7	L294 R299 E301 D302 K307	S248-L294 CarbonylContact C-O 3.53Å; S248-L294 VanDerWaalsContact CA-O 3.24Å; S248-L294 WeakPolarHBondContact CA-O 3.28Å; S248-R299 WeakPolarHBondContact CB-O 3.3Å; S248-R299 PolarHBondContact OG-O 3.22Å; S248-E301 PolarHBondContact OG-N 3.33Å; S248-D302 PolarHBondContact N-OD2 3.49Å; S248-K307 PolarHBondContact O-NZ 3.24Å; S248-K307 VanDerWaalsContact O-NZ 3.16Å
249	M	91	Very high	87.7	Confident	6 Å²	6	44.5 Å²	44.5	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	157	173.4	68.1	-172.7	-50.1	0	0	111.8	V232 E253 A254 L257 T293 L294 I295 G296	V232-M249 HydrophobicContact CB-SD 4.28Å; V232-M249 HydrophobicContact CG1-SD 4.13Å; V232-M249 HydrophobicContact CG2-SD 4.06Å; M249-E253 WeakPolarHBondContact CA-OE2 3.38Å; M249-E253 HydrophobicContact CE-CB 3.99Å; M249-A254 HydrophobicContact CE-CB 3.68Å; M249-A254 HydrophobicContact CG-CB 4.42Å; M249-A254 HydrophobicContact SD-CB 3.97Å; M249-L257 HydrophobicContact CE-CD1 3.62Å; M249-T293 HydrophobicContact CG-CG2 4.38Å; M249-T293 HydrophobicContact SD-CG2 4.41Å; M249-L294 PolarHBondContact N-O 3.26Å; M249-I295 HydrophobicContact CG-CB 4.33Å; M249-I295 HydrophobicContact CG-CG1 3.7Å; M249-I295 HydrophobicContact CG-CG2 4.39Å; M249-I295 WeakPolarHBondContact O-CA 3.35Å; M249-I295 HydrophobicContact SD-CD1 4.21Å; M249-I295 HydrophobicContact SD-CG1 3.9Å; M249-G296 PolarHBondContact O-N 3.42Å
250	S	91.5	Very high	87.7	Confident	10 Å²	10	43.2 Å²	43.2	7%	0.07	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	156.6	176.2	87.6	0	0	0	0	111.7	Q252 E253 A254 G296 D404	S250-Q252 PolarHBondContact O-N 3.42Å; S250-Q252 PolarHBondContact OG-N 3.05Å; S250-E253 PolarHBondContact N-OE2 3.13Å; S250-E253 PolarHBondContact O-N 3.29Å; S250-E253 WeakPolarHBondContact OG-CG 3.41Å; S250-E253 PolarHBondContact OG-N 3.36Å; S250-A254 PolarHBondContact O-N 3.44Å; S250-G296 CarbonylContact C-O 3.5Å; S250-G296 VanDerWaalsContact CA-O 3.29Å; S250-G296 WeakPolarHBondContact CA-O 3.42Å; S250-D404 VanDerWaalsContact CB-OD2 3.32Å; S250-D404 WeakPolarHBondContact CB-OD2 3.1Å; S250-D404 PolarHBondContact OG-OD2 3.12Å
251	Y	92.3	Very high	87.3	Confident	14 Å²	14	44.6 Å²	44.6	6%	0.055	23%	0.228	C	C	.	.	H	α-helix	trans	-54.8	-38	171.1	-61.7	-64.5	0	0	0	112	A254 M255 I270 I273 A274 I278 I295 G296 A297	Y251-A254 PolarHBondContact O-N 3Å; Y251-M255 VanDerWaalsContact O-CG 3.27Å; Y251-M255 WeakPolarHBondContact O-CG 3.43Å; Y251-M255 PolarHBondContact O-N 2.84Å; Y251-I270 HydrophobicContact CD1-CG2 4.05Å; Y251-I273 HydrophobicContact CE1-CD1 4.25Å; Y251-I273 HydrophobicContact CE1-CG1 4.21Å; Y251-A274 HydrophobicContact CD1-CB 3.91Å; Y251-A274 HydrophobicContact CD2-CB 3.98Å; Y251-A274 HydrophobicContact CE1-CB 4.41Å; Y251-A274 HydrophobicContact CE2-CB 4.45Å; Y251-A274 HydrophobicContact CG-CB 3.69Å; Y251-I278 PolarHBondContact OH-N 3.17Å; Y251-I278 PolarHBondContact OH-O 3.28Å; Y251-I295 HydrophobicContact CD1-CG2 3.74Å; Y251-I295 HydrophobicContact CE1-CG2 4.24Å; Y251-G296 WeakPolarHBondContact CD2-O 3.46Å; Y251-G296 PolarHBondContact N-O 2.77Å; Y251-G296 VanDerWaalsContact N-O 3.08Å; Y251-A297 HydrophobicContact CE2-CB 4.24Å; Y251-A297 VanDerWaalsContact CE2-N 3.34Å
252	Q	89.9	Confident	87.4	Confident	102 Å²	102	40.4 Å²	40.4	48%	0.477	20%	0.202	S	C	.	.	H	α-helix	trans	-72.6	-40.7	-176.4	-63.2	179.7	-6.3	0	0	111.1	S250 A254 M255 E256	S250-Q252 PolarHBondContact O-N 3.42Å; S250-Q252 PolarHBondContact OG-N 3.05Å; Q252-A254 VanDerWaalsContact C-N 3.32Å; Q252-A254 PolarHBondContact O-N 3.5Å; Q252-M255 PolarHBondContact O-N 3.41Å; Q252-E256 WeakPolarHBondContact O-CG 3.47Å; Q252-E256 PolarHBondContact O-N 2.94Å; Q252-E256 VanDerWaalsContact O-N 3.08Å
253	E	91	Very high	87.2	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.019	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-41.4	172.1	-69.7	168.7	145.4	0	0	111.8	M249 S250 M255 E256 L257 K307 V402 G403 D404 R437	M249-E253 WeakPolarHBondContact CA-OE2 3.38Å; M249-E253 HydrophobicContact CE-CB 3.99Å; S250-E253 PolarHBondContact N-OE2 3.13Å; S250-E253 PolarHBondContact O-N 3.29Å; S250-E253 WeakPolarHBondContact OG-CG 3.41Å; S250-E253 PolarHBondContact OG-N 3.36Å; E253-M255 VanDerWaalsContact C-N 3.35Å; E253-M255 PolarHBondContact O-N 2.95Å; E253-E256 PolarHBondContact O-N 3.31Å; E253-L257 WeakPolarHBondContact O-CB 3.48Å; E253-L257 PolarHBondContact O-N 2.89Å; E253-K307 VanDerWaalsContact CD-CG 3.42Å; E253-K307 HydrophobicContact CG-CG 4.44Å; E253-K307 WeakPolarHBondContact OE1-CG 2.9Å; E253-K307 WeakPolarHBondContact OE2-CG 3.42Å; E253-V402 HydrophobicContact CB-CG1 4.28Å; E253-V402 HydrophobicContact CG-CG1 4.44Å; E253-G403 WeakPolarHBondContact OE1-CA 3.29Å; E253-D404 HydrophobicContact CG-CB 4.42Å; E253-D404 WeakPolarHBondContact CG-OD2 3.49Å; E253-D404 WeakPolarHBondContact OE1-CB 3.36Å; E253-D404 PolarHBondContact OE1-N 3.15Å; E253-R437 HydrophobicContact CG-CG 4.48Å
254	A	91.3	Very high	86.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.4	-39.3	178.7	0	0	0	0	0	112	M249 S250 Y251 Q252 S258 I270 I295	M249-A254 HydrophobicContact CE-CB 3.68Å; M249-A254 HydrophobicContact CG-CB 4.42Å; M249-A254 HydrophobicContact SD-CB 3.97Å; S250-A254 PolarHBondContact O-N 3.44Å; Y251-A254 PolarHBondContact O-N 3Å; Q252-A254 VanDerWaalsContact C-N 3.32Å; Q252-A254 PolarHBondContact O-N 3.5Å; A254-S258 WeakPolarHBondContact O-CB 3.3Å; A254-S258 PolarHBondContact O-N 3.05Å; A254-I270 HydrophobicContact CB-CD1 3.75Å; A254-I295 HydrophobicContact CB-CD1 4.16Å; A254-I295 HydrophobicContact CB-CG2 3.86Å
255	M	89.5	Confident	86.2	Confident	68 Å²	68	40.9 Å²	40.9	34%	0.335	20%	0.203	S	C	.	.	H	α-helix	trans	-63.5	-47.2	175.8	-73.9	174.6	69	0	0	111.8	Y251 Q252 E253 S258 Y259 P267 I270	Y251-M255 VanDerWaalsContact O-CG 3.27Å; Y251-M255 WeakPolarHBondContact O-CG 3.43Å; Y251-M255 PolarHBondContact O-N 2.84Å; Q252-M255 PolarHBondContact O-N 3.41Å; E253-M255 VanDerWaalsContact C-N 3.35Å; E253-M255 PolarHBondContact O-N 2.95Å; M255-S258 PolarHBondContact O-N 3.09Å; M255-Y259 WeakPolarHBondContact O-CB 3.46Å; M255-Y259 PolarHBondContact O-N 3.29Å; M255-P267 HydrophobicContact CE-CB 4.49Å; M255-I270 HydrophobicContact CB-CD1 4.35Å; M255-I270 HydrophobicContact CG-CB 3.89Å; M255-I270 HydrophobicContact CG-CD1 3.69Å; M255-I270 HydrophobicContact CG-CG1 4.41Å; M255-I270 HydrophobicContact CG-CG2 3.72Å; M255-I270 HydrophobicContact SD-CG2 4.14Å
256	E	88.2	Confident	85.8	Confident	57 Å²	57	41 Å²	41	27%	0.266	20%	0.202	S	C	.	.	H	α-helix	trans	-63.7	-48.4	179.2	-68.2	-62.5	166.8	0	0	111.7	Q252 E253 S258 Y259 F260 V402 R437	Q252-E256 WeakPolarHBondContact O-CG 3.47Å; Q252-E256 PolarHBondContact O-N 2.94Å; Q252-E256 VanDerWaalsContact O-N 3.08Å; E253-E256 PolarHBondContact O-N 3.31Å; E256-S258 VanDerWaalsContact C-N 3.29Å; E256-S258 PolarHBondContact O-N 3.41Å; E256-Y259 PolarHBondContact O-N 2.92Å; E256-Y259 VanDerWaalsContact O-N 3.12Å; E256-F260 VanDerWaalsContact O-CD2 3.3Å; E256-F260 WeakPolarHBondContact O-CD2 3.47Å; E256-F260 PolarHBondContact O-N 3.13Å; E256-F260 WeakPolarHBondContact OE2-CE2 3.34Å; E256-V402 HydrophobicContact CB-CG1 3.77Å; E256-V402 HydrophobicContact CB-CG2 4.14Å; E256-R437 HydrophobicContact CG-CG 4.31Å
257	L	89.6	Confident	85.5	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-42.8	178.1	-81.4	171.6	0	0	0	111.6	M249 E253 Y259 F260 G261 A262 V402	M249-L257 HydrophobicContact CE-CD1 3.62Å; E253-L257 WeakPolarHBondContact O-CB 3.48Å; E253-L257 PolarHBondContact O-N 2.89Å; L257-Y259 VanDerWaalsContact C-N 3.34Å; L257-Y259 PolarHBondContact O-N 2.86Å; L257-F260 CarbonylContact O-C 3.5Å; L257-F260 PolarHBondContact O-N 3.01Å; L257-G261 PolarHBondContact O-N 3.09Å; L257-A262 HydrophobicContact CB-CB 3.95Å; L257-A262 WeakPolarHBondContact O-CB 3.44Å; L257-A262 PolarHBondContact O-N 2.62Å; L257-V402 HydrophobicContact CD2-CB 3.81Å; L257-V402 HydrophobicContact CD2-CG2 3.72Å; L257-V402 HydrophobicContact CG-CB 3.81Å; L257-V402 HydrophobicContact CG-CG1 4.01Å; L257-V402 HydrophobicContact CG-CG2 3.95Å
258	S	86.8	Confident	85.2	Confident	19 Å²	19	40.9 Å²	40.9	13%	0.133	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-36.8	177.7	-178.8	0	0	0	0	113	A254 M255 E256 F260 G261 A262 L265	A254-S258 WeakPolarHBondContact O-CB 3.3Å; A254-S258 PolarHBondContact O-N 3.05Å; M255-S258 PolarHBondContact O-N 3.09Å; E256-S258 VanDerWaalsContact C-N 3.29Å; E256-S258 PolarHBondContact O-N 3.41Å; S258-F260 VanDerWaalsContact C-N 3.33Å; S258-G261 PolarHBondContact O-N 3.25Å; S258-A262 WeakPolarHBondContact CA-O 3.45Å; S258-L265 WeakPolarHBondContact CB-O 3.25Å; S258-L265 PolarHBondContact OG-O 2.88Å
259	Y	83.9	Confident	85.1	Confident	103 Å²	103	40.9 Å²	40.9	40%	0.404	20%	0.202	S	C	.	.	H	α-helix	trans	-64.1	-42.6	178.2	-173.5	-96.5	0	0	0	110.8	M255 E256 L257 G261 V346 V347	M255-Y259 WeakPolarHBondContact O-CB 3.46Å; M255-Y259 PolarHBondContact O-N 3.29Å; E256-Y259 PolarHBondContact O-N 2.92Å; E256-Y259 VanDerWaalsContact O-N 3.12Å; L257-Y259 VanDerWaalsContact C-N 3.34Å; L257-Y259 PolarHBondContact O-N 2.86Å; Y259-G261 PolarHBondContact O-N 3.17Å; Y259-V346 PolarHBondContact OH-O 3.13Å; Y259-V347 HydrophobicContact CE1-CG1 4.17Å
260	F	81.5	Confident	85.1	Confident	19 Å²	19	40.6 Å²	40.6	8%	0.083	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	30	178.1	-65.1	-69.3	0	0	0	114.4	E256 L257 S258 S310 N311 L312 I398 S400	E256-F260 VanDerWaalsContact O-CD2 3.3Å; E256-F260 WeakPolarHBondContact O-CD2 3.47Å; E256-F260 PolarHBondContact O-N 3.13Å; E256-F260 WeakPolarHBondContact OE2-CE2 3.34Å; L257-F260 CarbonylContact O-C 3.5Å; L257-F260 PolarHBondContact O-N 3.01Å; S258-F260 VanDerWaalsContact C-N 3.33Å; F260-S310 WeakPolarHBondContact CB-OG 3.23Å; F260-S310 VanDerWaalsContact O-CB 3.24Å; F260-S310 WeakPolarHBondContact O-CB 3.43Å; F260-S310 PolarHBondContact O-OG 2.9Å; F260-N311 CarbonylContact O-C 3.48Å; F260-L312 VanDerWaalsContact C-CG 3.48Å; F260-L312 HydrophobicContact CD1-CD1 4.15Å; F260-I398 HydrophobicContact CD1-CG2 4.3Å; F260-I398 HydrophobicContact CE1-CG2 4.48Å; F260-S400 VanDerWaalsContact CD1-OG 3.27Å; F260-S400 WeakPolarHBondContact CD1-OG 3.36Å; F260-S400 VanDerWaalsContact CG-OG 3.26Å; F260-S400 WeakPolarHBondContact CG-OG 3.36Å
261	G	74.6	Confident	85.1	Confident	33 Å²	33	43.6 Å²	43.6	34%	0.34	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	98	-4.9	164.1	0	0	0	0	0	116.6	L257 S258 Y259 K263	L257-G261 PolarHBondContact O-N 3.09Å; S258-G261 PolarHBondContact O-N 3.25Å; Y259-G261 PolarHBondContact O-N 3.17Å; G261-K263 PolarHBondContact O-N 3.34Å
262	A	75.9	Confident	85.1	Confident	24 Å²	24	43.1 Å²	43.1	20%	0.198	22%	0.217	C	C	.	.			trans	-67.1	127.5	174.8	0	0	0	0	0	110.2	L257 S258 V264	L257-A262 HydrophobicContact CB-CB 3.95Å; L257-A262 WeakPolarHBondContact O-CB 3.44Å; L257-A262 PolarHBondContact O-N 2.62Å; S258-A262 WeakPolarHBondContact CA-O 3.45Å; A262-V264 HydrophobicContact CB-CG2 4.02Å; A262-V264 PolarHBondContact O-N 2.95Å
263	K	72.5	Confident	85.2	Confident	192 Å²	192	38.3 Å²	38.3	84%	0.835	19%	0.194	S	C	*	.	S	Bend	trans	-82.5	56.9	178.9	-63.9	-176.9	-179.6	-179.1	0	111.3	G261	G261-K263 PolarHBondContact O-N 3.34Å
264	V	72.2	Confident	85.3	Confident	33 Å²	33	39 Å²	39	20%	0.2	20%	0.201	C	C	.	.	S	Bend	trans	-97.8	-82.3	-178.2	178.9	0	0	0	0	110.7	V232 A262 I295	V232-V264 HydrophobicContact CB-CG2 4.45Å; V232-V264 HydrophobicContact CG1-CG1 4.42Å; V232-V264 HydrophobicContact CG1-CG2 3.68Å; V232-V264 HydrophobicContact CG2-CB 4.41Å; V232-V264 HydrophobicContact CG2-CG1 3.43Å; V232-V264 VanDerWaalsContact CG2-CG1 3.43Å; V232-V264 HydrophobicContact CG2-CG2 4.07Å; A262-V264 HydrophobicContact CB-CG2 4.02Å; A262-V264 PolarHBondContact O-N 2.95Å; V264-I295 HydrophobicContact CG1-CD1 4.33Å
265	L	82.6	Confident	85.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.			trans	-142.8	132.3	178.3	-70.7	-179.4	0	0	0	108.9	D208 I225 S258 T269 I270 I282 I295	D208-L265 HydrophobicContact CB-CD2 4.41Å; I225-L265 HydrophobicContact CB-CD2 4.5Å; I225-L265 HydrophobicContact CG1-CD2 4.03Å; I225-L265 HydrophobicContact CG2-CD2 4.23Å; S258-L265 WeakPolarHBondContact CB-O 3.25Å; S258-L265 PolarHBondContact OG-O 2.88Å; L265-T269 HydrophobicContact CD2-CG2 4.22Å; L265-I270 HydrophobicContact CB-CD1 4.07Å; L265-I270 HydrophobicContact CB-CG1 3.84Å; L265-I270 HydrophobicContact CD1-CG1 4.26Å; L265-I282 HydrophobicContact CD1-CD1 3.92Å; L265-I282 HydrophobicContact CD2-CD1 4.09Å; L265-I282 HydrophobicContact CG-CD1 3.96Å; L265-I295 HydrophobicContact CD1-CD1 3.62Å; L265-I295 HydrophobicContact CG-CD1 4.39Å
266	H	83.6	Confident	85.5	Confident	55 Å²	55	44.6 Å²	44.6	26%	0.255	23%	0.226	S	C	.	.			trans	-63	144.8	177.9	-169.1	-97.9	0	0	0	110.9	N205 R268 T269 I270	N205-H266 HydrophobicContact CB-CB 4.09Å; H266-R268 PolarHBondContact ND1-N 3.21Å; H266-R268 PolarHBondContact O-N 3.2Å; H266-T269 WeakPolarHBondContact O-CA 3.47Å; H266-T269 VanDerWaalsContact O-CB 3.25Å; H266-T269 WeakPolarHBondContact O-CB 3.2Å; H266-T269 PolarHBondContact O-N 3.39Å; H266-I270 PolarHBondContact O-N 3.45Å
267	P	85.5	Confident	85.7	Confident	28 Å²	28	47.5 Å²	47.5	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-54.2	-33.3	-179.2	-30.4	37	0	0	0	114.4	M255 T269 I270 T271	M255-P267 HydrophobicContact CE-CB 4.49Å; P267-T269 VanDerWaalsContact C-N 3.3Å; P267-T269 PolarHBondContact O-N 3.49Å; P267-I270 PolarHBondContact O-N 3.31Å; P267-T271 PolarHBondContact O-N 3.44Å; P267-T271 PolarHBondContact O-OG1 2.9Å
268	R	85.2	Confident	86	Confident	86 Å²	86	47.6 Å²	47.6	33%	0.325	24%	0.24	S	C	.	.	H	α-helix	trans	-63	-34.5	173.8	-69.4	-172	177.5	161.2	7	113.3	E162 Y209 H266 P272	E162-R268 VanDerWaalsContact CG-NH1 3.26Å; E162-R268 IonicContact OE1-CZ 2.7Å; E162-R268 IonicContact OE1-NH1 2.65Å; E162-R268 PolarHBondContact OE1-NH1 2.92Å; E162-R268 IonicContact OE1-NH2 2.68Å; E162-R268 PolarHBondContact OE1-NH2 2.98Å; Y209-R268 HydrophobicContact CD2-CB 4.39Å; Y209-R268 WeakPolarHBondContact CD2-O 3.45Å; Y209-R268 VanDerWaalsContact CE2-O 3.31Å; Y209-R268 WeakPolarHBondContact CE2-O 3.36Å; H266-R268 PolarHBondContact ND1-N 3.21Å; H266-R268 PolarHBondContact O-N 3.2Å; R268-P272 WeakPolarHBondContact O-CD 3.43Å
269	T	88.6	Confident	86.3	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-69.5	-37.7	174.3	-55.7	0	0	0	0	111.4	D208 Y209 A212 L265 H266 P267 P272	D208-T269 HydrophobicContact CB-CG2 3.67Å; D208-T269 WeakPolarHBondContact O-CG2 3.38Å; Y209-T269 PolarHBondContact N-OG1 3.46Å; A212-T269 HydrophobicContact CB-CG2 3.88Å; A212-T269 WeakPolarHBondContact CB-O 3.47Å; L265-T269 HydrophobicContact CD2-CG2 4.22Å; H266-T269 WeakPolarHBondContact O-CA 3.47Å; H266-T269 VanDerWaalsContact O-CB 3.25Å; H266-T269 WeakPolarHBondContact O-CB 3.2Å; H266-T269 PolarHBondContact O-N 3.39Å; P267-T269 VanDerWaalsContact C-N 3.3Å; P267-T269 PolarHBondContact O-N 3.49Å; T269-P272 WeakPolarHBondContact O-CD 3.3Å
270	I	91.2	Very high	86.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-72.5	-32.7	-178.3	-57.1	166.8	0	0	0	111.2	Y251 A254 M255 L265 H266 P267 I273 A274	Y251-I270 HydrophobicContact CD1-CG2 4.05Å; A254-I270 HydrophobicContact CB-CD1 3.75Å; M255-I270 HydrophobicContact CB-CD1 4.35Å; M255-I270 HydrophobicContact CG-CB 3.89Å; M255-I270 HydrophobicContact CG-CD1 3.69Å; M255-I270 HydrophobicContact CG-CG1 4.41Å; M255-I270 HydrophobicContact CG-CG2 3.72Å; M255-I270 HydrophobicContact SD-CG2 4.14Å; L265-I270 HydrophobicContact CB-CD1 4.07Å; L265-I270 HydrophobicContact CB-CG1 3.84Å; L265-I270 HydrophobicContact CD1-CG1 4.26Å; H266-I270 PolarHBondContact O-N 3.45Å; P267-I270 PolarHBondContact O-N 3.31Å; I270-I273 WeakPolarHBondContact O-CG1 3.49Å; I270-I273 PolarHBondContact O-N 3.15Å; I270-A274 HydrophobicContact CG2-CB 4.42Å; I270-A274 VanDerWaalsContact O-CB 3.24Å; I270-A274 WeakPolarHBondContact O-CB 3.42Å; I270-A274 PolarHBondContact O-N 3.18Å
271	T	90.7	Very high	87.5	Confident	72 Å²	72	44.4 Å²	44.4	44%	0.442	23%	0.231	S	C	.	.	H	α-helix	trans	-57.9	-50.7	-174	-58.1	0	0	0	0	113.6	P267 A274 Q275	P267-T271 PolarHBondContact O-N 3.44Å; P267-T271 PolarHBondContact O-OG1 2.9Å; T271-A274 PolarHBondContact O-N 2.69Å; T271-Q275 VanDerWaalsContact O-CB 3.31Å; T271-Q275 WeakPolarHBondContact O-CB 3.47Å; T271-Q275 PolarHBondContact O-N 2.87Å
272	P	92.6	Very high	88.4	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-48.9	176.5	-24.6	32.1	0	0	0	113.4	I167 Y209 A212 V213 A216 R268 T269 A274 Q275 F276	I167-P272 HydrophobicContact CD1-CB 3.79Å; I167-P272 HydrophobicContact CD1-CG 4.08Å; Y209-P272 HydrophobicContact CD2-CG 4.05Å; Y209-P272 HydrophobicContact CE2-CG 3.58Å; A212-P272 HydrophobicContact CB-CB 4.24Å; A212-P272 HydrophobicContact CB-CG 4.29Å; V213-P272 HydrophobicContact CG2-CG 4.28Å; A216-P272 HydrophobicContact CB-CB 4.26Å; R268-P272 WeakPolarHBondContact O-CD 3.43Å; T269-P272 WeakPolarHBondContact O-CD 3.3Å; P272-A274 VanDerWaalsContact C-N 3.31Å; P272-A274 PolarHBondContact O-N 3.03Å; P272-Q275 PolarHBondContact O-N 3.36Å; P272-F276 VanDerWaalsContact O-CD2 3.24Å; P272-F276 WeakPolarHBondContact O-CD2 3.37Å; P272-F276 PolarHBondContact O-N 2.76Å
273	I	92.9	Very high	89.3	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-35.5	-177.8	55.9	170.9	0	0	0	111.3	A212 C223 Y251 I270 Q277 I278 C280	A212-I273 HydrophobicContact CB-CG2 3.86Å; C223-I273 HydrophobicContact CB-CG2 4.25Å; Y251-I273 HydrophobicContact CE1-CD1 4.25Å; Y251-I273 HydrophobicContact CE1-CG1 4.21Å; I270-I273 WeakPolarHBondContact O-CG1 3.49Å; I270-I273 PolarHBondContact O-N 3.15Å; I273-Q277 CarbonylContact O-C 3.49Å; I273-Q277 WeakPolarHBondContact O-CA 3.27Å; I273-Q277 PolarHBondContact O-N 3.09Å; I273-I278 HydrophobicContact CB-CB 4.24Å; I273-I278 HydrophobicContact CG2-CB 4.28Å; I273-I278 HydrophobicContact CG2-CG2 4.44Å; I273-I278 PolarHBondContact O-N 3.38Å; I273-C280 HydrophobicContact CD1-CB 3.4Å
274	A	92.6	Very high	90.3	Very high	20 Å²	20	35.6 Å²	35.6	17%	0.165	18%	0.181	C	C	.	.	H	α-helix	trans	-69.2	-43.6	174.6	0	0	0	0	0	111.8	Y251 I270 T271 P272 F276 Q277	Y251-A274 HydrophobicContact CD1-CB 3.91Å; Y251-A274 HydrophobicContact CD2-CB 3.98Å; Y251-A274 HydrophobicContact CE1-CB 4.41Å; Y251-A274 HydrophobicContact CE2-CB 4.45Å; Y251-A274 HydrophobicContact CG-CB 3.69Å; I270-A274 HydrophobicContact CG2-CB 4.42Å; I270-A274 VanDerWaalsContact O-CB 3.24Å; I270-A274 WeakPolarHBondContact O-CB 3.42Å; I270-A274 PolarHBondContact O-N 3.18Å; T271-A274 PolarHBondContact O-N 2.69Å; P272-A274 VanDerWaalsContact C-N 3.31Å; P272-A274 PolarHBondContact O-N 3.03Å; A274-F276 VanDerWaalsContact C-N 3.27Å; A274-F276 PolarHBondContact O-N 3.5Å; A274-Q277 PolarHBondContact O-N 3.42Å; A274-Q277 PolarHBondContact O-NE2 2.85Å
275	Q	92.6	Very high	91.2	Very high	130 Å²	130	34.4 Å²	34.4	61%	0.607	17%	0.173	S	C	*	.	H	α-helix	trans	-59.2	-39.9	178.3	-178.8	-179.5	-1.8	0	0	111.9	T271 P272	T271-Q275 VanDerWaalsContact O-CB 3.31Å; T271-Q275 WeakPolarHBondContact O-CB 3.47Å; T271-Q275 PolarHBondContact O-N 2.87Å; P272-Q275 PolarHBondContact O-N 3.36Å
276	F	92.4	Very high	91.5	Very high	55 Å²	55	36.8 Å²	36.8	24%	0.241	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	7	-179.8	-64.6	-71.1	0	0	0	114	I167 A216 R219 P272 A274 I278	I167-F276 HydrophobicContact CB-CE2 4.4Å; I167-F276 HydrophobicContact CD1-CE2 3.84Å; I167-F276 HydrophobicContact CG2-CE2 3.69Å; I167-F276 HydrophobicContact CG2-CZ 3.92Å; A216-F276 HydrophobicContact CB-CD2 3.45Å; A216-F276 VanDerWaalsContact CB-CD2 3.45Å; A216-F276 HydrophobicContact CB-CE2 3.84Å; A216-F276 HydrophobicContact CB-CG 4.25Å; R219-F276 VanDerWaalsContact CZ-CD1 3.48Å; R219-F276 VanDerWaalsContact NH2-CE1 3.33Å; P272-F276 VanDerWaalsContact O-CD2 3.24Å; P272-F276 WeakPolarHBondContact O-CD2 3.37Å; P272-F276 PolarHBondContact O-N 2.76Å; A274-F276 VanDerWaalsContact C-N 3.27Å; A274-F276 PolarHBondContact O-N 3.5Å; F276-I278 HydrophobicContact CB-CD1 3.97Å; F276-I278 HydrophobicContact CB-CG1 3.96Å; F276-I278 PolarHBondContact O-N 2.97Å
277	Q	92.9	Very high	91.9	Very high	117 Å²	117	37.4 Å²	37.4	55%	0.547	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	37	179.5	-60.1	-67.5	-48.6	0	0	113.3	I273 A274	I273-Q277 CarbonylContact O-C 3.49Å; I273-Q277 WeakPolarHBondContact O-CA 3.27Å; I273-Q277 PolarHBondContact O-N 3.09Å; A274-Q277 PolarHBondContact O-N 3.42Å; A274-Q277 PolarHBondContact O-NE2 2.85Å
278	I	94.8	Very high	92.1	Very high	6 Å²	6	38 Å²	38	3%	0.031	21%	0.207	C	C	.	.			trans	-86.5	119.2	177.3	-60	177	0	0	0	107.7	A215 A216 C223 Y251 I273 F276	A215-I278 VanDerWaalsContact C-CD1 3.41Å; A215-I278 HydrophobicContact CB-CD1 4.12Å; A215-I278 HydrophobicContact CB-CG2 4.39Å; A215-I278 VanDerWaalsContact O-CD1 3.24Å; A215-I278 WeakPolarHBondContact O-CD1 3.5Å; A216-I278 HydrophobicContact CB-CD1 4.47Å; C223-I278 HydrophobicContact CB-CG2 4.23Å; Y251-I278 PolarHBondContact OH-N 3.17Å; Y251-I278 PolarHBondContact OH-O 3.28Å; I273-I278 HydrophobicContact CB-CB 4.24Å; I273-I278 HydrophobicContact CG2-CB 4.28Å; I273-I278 HydrophobicContact CG2-CG2 4.44Å; I273-I278 PolarHBondContact O-N 3.38Å; F276-I278 HydrophobicContact CB-CD1 3.97Å; F276-I278 HydrophobicContact CB-CG1 3.96Å; F276-I278 PolarHBondContact O-N 2.97Å
279	P	94.4	Very high	92.3	Very high	43 Å²	43	42.3 Å²	42.3	28%	0.279	23%	0.231	S	C	.	.			trans	-65	141.8	175.3	26.1	-32	0	0	0	110.2	D221 C222 C223 L294	D221-P279 VanDerWaalsContact O-CD 3.27Å; D221-P279 WeakPolarHBondContact O-CD 3.34Å; D221-P279 WeakPolarHBondContact O-CG 3.36Å; C222-P279 WeakPolarHBondContact CA-O 3.32Å; C222-P279 HydrophobicContact CB-CG 4.4Å; C223-P279 PolarHBondContact N-O 3.49Å; P279-L294 HydrophobicContact CB-CD1 3.87Å
280	C	94.9	Very high	92.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.007	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.1	177	-180	0	0	0	0	110.9	C223 I273 I295	C223-C280 HydrophobicContact CB-CB 4.46Å; C223-C280 CarbonylContact O-C 3.45Å; C223-C280 WeakPolarHBondContact O-CA 3.32Å; C223-C280 PolarHBondContact O-SG 2.87Å; I273-C280 HydrophobicContact CD1-CB 3.4Å; C280-I295 HydrophobicContact CB-CB 4.31Å; C280-I295 PolarHBondContact N-O 2.84Å; C280-I295 PolarHBondContact O-N 3.42Å
281	L	94.4	Very high	92.3	Very high	31 Å²	31	47.5 Å²	47.5	16%	0.162	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.2	-177.1	-172.8	62.8	0	0	0	109.9	C223 E224 I225 K283 L294	C223-L281 PolarHBondContact O-N 3.34Å; E224-L281 CarbonylContact C-O 3.56Å; E224-L281 WeakPolarHBondContact CA-O 3.38Å; E224-L281 HydrophobicContact CG-CB 4.35Å; I225-L281 PolarHBondContact N-O 2.91Å; L281-K283 HydrophobicContact CD2-CD 3.74Å; L281-K283 HydrophobicContact CD2-CG 4.02Å; L281-K283 HydrophobicContact CG-CD 4.1Å; L281-K283 HydrophobicContact CG-CG 3.79Å; L281-L294 HydrophobicContact CD1-CB 4.25Å; L281-L294 HydrophobicContact CD1-CD1 4.34Å
282	I	94.3	Very high	92.4	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.041	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.2	174	-49.7	-55.8	0	0	0	108.8	I225 T227 V232 L265 G292 T293 I295	I225-I282 HydrophobicContact CB-CD1 3.83Å; I225-I282 HydrophobicContact CG1-CD1 4.2Å; I225-I282 HydrophobicContact CG2-CD1 4.42Å; T227-I282 HydrophobicContact CG2-CG2 4.44Å; V232-I282 HydrophobicContact CG2-CG1 4.04Å; L265-I282 HydrophobicContact CD1-CD1 3.92Å; L265-I282 HydrophobicContact CD2-CD1 4.09Å; L265-I282 HydrophobicContact CG-CD1 3.96Å; I282-G292 WeakPolarHBondContact O-CA 3.33Å; I282-T293 PolarHBondContact N-O 3.37Å; I282-T293 PolarHBondContact O-N 3.33Å; I282-T293 VanDerWaalsContact O-N 3.13Å; I282-I295 HydrophobicContact CD1-CD1 4.14Å; I282-I295 HydrophobicContact CG1-CD1 4.03Å
283	K	94.2	Very high	92.5	Very high	33 Å²	33	44 Å²	44	14%	0.143	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	157.5	-175.4	-61.9	-161.7	70.1	178.3	0	113.1	I225 W226 T227 V229 L281 P288	I225-K283 PolarHBondContact O-N 3.02Å; W226-K283 CarbonylContact C-O 3.53Å; W226-K283 WeakPolarHBondContact CA-O 3.09Å; W226-K283 HydrophobicContact CD2-CB 3.88Å; W226-K283 HydrophobicContact CE3-CB 3.73Å; W226-K283 HydrophobicContact CH2-CB 4.28Å; W226-K283 HydrophobicContact CH2-CD 3.8Å; W226-K283 HydrophobicContact CZ2-CB 4.38Å; W226-K283 HydrophobicContact CZ2-CD 3.63Å; W226-K283 HydrophobicContact CZ3-CB 3.95Å; W226-K283 HydrophobicContact CZ3-CD 4.32Å; T227-K283 PolarHBondContact N-O 3.08Å; V229-K283 CarbonylContact O-C 3.47Å; L281-K283 HydrophobicContact CD2-CD 3.74Å; L281-K283 HydrophobicContact CD2-CG 4.02Å; L281-K283 HydrophobicContact CG-CD 4.1Å; L281-K283 HydrophobicContact CG-CG 3.79Å; K283-P288 PolarHBondContact NZ-O 3.47Å
284	N	93.4	Very high	92.5	Very high	23 Å²	23	46.3 Å²	46.3	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.2	174.2	-164.7	-16.5	0	0	0	112.3	W226 T227 V229 D230 G286 N287	W226-N284 WeakPolarHBondContact CZ3-O 3.5Å; T227-N284 PolarHBondContact O-OD1 3.24Å; V229-N284 WeakPolarHBondContact O-CA 3.43Å; V229-N284 VanDerWaalsContact O-CB 3.32Å; V229-N284 WeakPolarHBondContact O-CB 3.39Å; V229-N284 PolarHBondContact O-N 2.89Å; D230-N284 WeakPolarHBondContact OD1-CB 3.46Å; D230-N284 PolarHBondContact OD1-ND2 2.89Å; N284-G286 VanDerWaalsContact C-N 3.28Å; N284-G286 PolarHBondContact O-N 3.36Å; N284-G286 WeakPolarHBondContact OD1-CA 3.41Å; N284-G286 PolarHBondContact OD1-N 3.44Å; N284-N287 HydrophobicContact CB-CB 4.16Å; N284-N287 CarbonylContact O-C 3.55Å; N284-N287 VanDerWaalsContact O-C 3.27Å; N284-N287 PolarHBondContact O-N 2.92Å
285	T	90.8	Very high	92.5	Very high	8 Å²	8	45.3 Å²	45.3	5%	0.049	25%	0.248	C	C	.	.	S	Bend	trans	-66.8	-32.1	173.3	-42.8	0	0	0	0	111.6	S10 R19 V20 I23 T227	S10-T285 WeakPolarHBondContact CB-OG1 3.36Å; S10-T285 PolarHBondContact OG-OG1 3.27Å; R19-T285 WeakPolarHBondContact CD-O 3.46Å; V20-T285 HydrophobicContact CG2-CG2 4.17Å; I23-T285 HydrophobicContact CD1-CG2 4.07Å; T227-T285 PolarHBondContact O-N 2.86Å; T227-T285 PolarHBondContact O-OG1 3.02Å
286	G	89	Confident	92.5	Very high	49 Å²	49	39.7 Å²	39.7	51%	0.505	23%	0.225	S	C	.	.	S	Bend	trans	-77.4	-21.7	177.3	0	0	0	0	0	114.3	N284	N284-G286 VanDerWaalsContact C-N 3.28Å; N284-G286 PolarHBondContact O-N 3.36Å; N284-G286 WeakPolarHBondContact OD1-CA 3.41Å; N284-G286 PolarHBondContact OD1-N 3.44Å
287	N	92.6	Very high	91.9	Very high	69 Å²	69	39.9 Å²	39.9	37%	0.369	24%	0.237	S	C	.	.			trans	-136	71.2	179	-172.6	12.4	0	0	0	111.3	D230 N284 Q289 A290	D230-N287 PolarHBondContact OD2-ND2 3.48Å; N284-N287 HydrophobicContact CB-CB 4.16Å; N284-N287 CarbonylContact O-C 3.55Å; N284-N287 VanDerWaalsContact O-C 3.27Å; N284-N287 PolarHBondContact O-N 2.92Å; N287-Q289 PolarHBondContact O-N 3.48Å; N287-Q289 VanDerWaalsContact O-N 3.1Å; N287-A290 HydrophobicContact CB-CB 4.47Å; N287-A290 WeakPolarHBondContact O-CB 3.09Å; N287-A290 PolarHBondContact O-N 2.93Å
288	P	89.1	Confident	90.7	Very high	40 Å²	40	39.2 Å²	39.2	26%	0.26	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.4	-171.4	-24.2	35.6	0	0	0	115.8	I23 W226 K283	I23-P288 HydrophobicContact CD1-CG 4.17Å; I23-P288 HydrophobicContact CG1-CG 4.39Å; W226-P288 HydrophobicContact CH2-CB 4.01Å; W226-P288 HydrophobicContact CZ3-CB 3.85Å; W226-P288 HydrophobicContact CZ3-CG 4.33Å; K283-P288 PolarHBondContact NZ-O 3.47Å
289	Q	89.7	Confident	88.9	Confident	177 Å²	177	47.3 Å²	47.3	83%	0.827	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-12	178.5	-60.7	-59.4	-32.3	0	0	112.9	N287	N287-Q289 PolarHBondContact O-N 3.48Å; N287-Q289 VanDerWaalsContact O-N 3.1Å
290	A	90.8	Very high	87.3	Confident	10 Å²	10	49.4 Å²	49.4	8%	0.083	28%	0.284	C	S	.	.	S	Bend	trans	-57.9	143.1	172.6	0	0	0	0	0	110.4	D230 N287 G292	D230-A290 HydrophobicContact CB-CB 4.13Å; N287-A290 HydrophobicContact CB-CB 4.47Å; N287-A290 WeakPolarHBondContact O-CB 3.09Å; N287-A290 PolarHBondContact O-N 2.93Å; A290-G292 PolarHBondContact O-N 3.11Å
291	P	89.6	Confident	85.7	Confident	101 Å²	101	54.3 Å²	54.3	66%	0.656	31%	0.307	S	S	*	.			trans	-62.5	-27.6	-176.9	24	-33.6	0	0	0	113.1	L245	L245-P291 HydrophobicContact CD2-CG 4.28Å
292	G	92.3	Very high	84.2	Confident	3 Å²	3	54.2 Å²	54.2	3%	0.031	31%	0.306	C	S	.	.			trans	78.7	-176.3	-174.1	0	0	0	0	0	113	D230 I282 A290	D230-G292 VanDerWaalsContact O-CA 3.25Å; D230-G292 WeakPolarHBondContact O-CA 3.45Å; I282-G292 WeakPolarHBondContact O-CA 3.33Å; A290-G292 PolarHBondContact O-N 3.11Å
293	T	93.8	Very high	83.1	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.3	168.6	-53.4	0	0	0	0	110.5	V232 L246 M249 I282	V232-T293 HydrophobicContact CB-CG2 4Å; V232-T293 HydrophobicContact CG2-CG2 4.07Å; V232-T293 PolarHBondContact N-OG1 3.46Å; V232-T293 PolarHBondContact O-OG1 3.4Å; L246-T293 HydrophobicContact CB-CG2 3.93Å; L246-T293 WeakPolarHBondContact O-CB 3.49Å; L246-T293 WeakPolarHBondContact O-CG2 3.01Å; L246-T293 PolarHBondContact O-OG1 3.4Å; M249-T293 HydrophobicContact CG-CG2 4.38Å; M249-T293 HydrophobicContact SD-CG2 4.41Å; I282-T293 PolarHBondContact N-O 3.37Å; I282-T293 PolarHBondContact O-N 3.33Å; I282-T293 VanDerWaalsContact O-N 3.13Å
294	L	93.8	Very high	82.3	Confident	48 Å²	48	62.6 Å²	62.6	25%	0.251	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.9	178.5	-173.7	70	0	0	0	111.5	K247 S248 M249 P279 L281	K247-L294 PolarHBondContact O-N 3.19Å; S248-L294 CarbonylContact C-O 3.53Å; S248-L294 VanDerWaalsContact CA-O 3.24Å; S248-L294 WeakPolarHBondContact CA-O 3.28Å; M249-L294 PolarHBondContact N-O 3.26Å; P279-L294 HydrophobicContact CB-CD1 3.87Å; L281-L294 HydrophobicContact CD1-CB 4.25Å; L281-L294 HydrophobicContact CD1-CD1 4.34Å
295	I	93.2	Very high	81.9	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.4	172.8	-54.1	174.9	0	0	0	108.5	M249 Y251 A254 V264 L265 C280 I282	M249-I295 HydrophobicContact CG-CB 4.33Å; M249-I295 HydrophobicContact CG-CG1 3.7Å; M249-I295 HydrophobicContact CG-CG2 4.39Å; M249-I295 WeakPolarHBondContact O-CA 3.35Å; M249-I295 HydrophobicContact SD-CD1 4.21Å; M249-I295 HydrophobicContact SD-CG1 3.9Å; Y251-I295 HydrophobicContact CD1-CG2 3.74Å; Y251-I295 HydrophobicContact CE1-CG2 4.24Å; A254-I295 HydrophobicContact CB-CD1 4.16Å; A254-I295 HydrophobicContact CB-CG2 3.86Å; V264-I295 HydrophobicContact CG1-CD1 4.33Å; L265-I295 HydrophobicContact CD1-CD1 3.62Å; L265-I295 HydrophobicContact CG-CD1 4.39Å; C280-I295 HydrophobicContact CB-CB 4.31Å; C280-I295 PolarHBondContact N-O 2.84Å; C280-I295 PolarHBondContact O-N 3.42Å; I282-I295 HydrophobicContact CD1-CD1 4.14Å; I282-I295 HydrophobicContact CG1-CD1 4.03Å
296	G	91.4	Very high	81.8	Confident	12 Å²	12	62.9 Å²	62.9	12%	0.124	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	-170.5	-171.3	0	0	0	0	0	115.2	M249 S250 Y251	M249-G296 PolarHBondContact O-N 3.42Å; S250-G296 CarbonylContact C-O 3.5Å; S250-G296 VanDerWaalsContact CA-O 3.29Å; S250-G296 WeakPolarHBondContact CA-O 3.42Å; Y251-G296 WeakPolarHBondContact CD2-O 3.46Å; Y251-G296 PolarHBondContact N-O 2.77Å; Y251-G296 VanDerWaalsContact N-O 3.08Å
297	A	80.8	Confident	81.9	Confident	58 Å²	58	60.7 Å²	60.7	48%	0.479	33%	0.327	S	S	.	.	S	Bend	trans	-68.3	-45.5	-173.6	0	0	0	0	0	113.9	Y251	Y251-A297 HydrophobicContact CE2-CB 4.24Å; Y251-A297 VanDerWaalsContact CE2-N 3.34Å
298	S	67.8	Low	81.8	Confident	103 Å²	103	57.4 Å²	57.4	72%	0.72	31%	0.309	S	S	*	.	S	Bend	trans	177.6	82.5	179.4	55.7	0	0	0	0	111.9
299	R	56.2	Low	82	Confident	176 Å²	176	55.7 Å²	55.7	66%	0.664	30%	0.298	S	S	*	.			trans	-123.9	106.9	161.7	-73.8	-172.5	-178.4	-172.4	2.1	106.8	S248 E301	S248-R299 WeakPolarHBondContact CB-O 3.3Å; S248-R299 PolarHBondContact OG-O 3.22Å; R299-E301 VanDerWaalsContact C-N 3.31Å; R299-E301 HydrophobicContact CB-CG 4.35Å; R299-E301 PolarHBondContact O-N 3Å
300	D	60.4	Low	82.2	Confident	88 Å²	88	47.5 Å²	47.5	47%	0.471	26%	0.26	S	S	.	.			trans	-90.4	73.5	177	-147.3	-6.7	0	0	0	108.2	D302 K307	D300-D302 VanDerWaalsContact C-N 3.26Å; D300-D302 PolarHBondContact O-N 2.95Å; D300-K307 VanDerWaalsContact OD1-CE 3.23Å; D300-K307 WeakPolarHBondContact OD1-CE 3.21Å; D300-K307 IonicContact OD1-NZ 3.12Å; D300-K307 PolarHBondContact OD1-NZ 3.04Å
301	E	61.3	Low	82.3	Confident	103 Å²	103	48 Å²	48	48%	0.481	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.3	-178.3	-70.2	-175.4	-176.8	0	0	113.1	S248 R299	S248-E301 PolarHBondContact OG-N 3.33Å; R299-E301 VanDerWaalsContact C-N 3.31Å; R299-E301 HydrophobicContact CB-CG 4.35Å; R299-E301 PolarHBondContact O-N 3Å
302	D	64	Low	82.5	Confident	29 Å²	29	45 Å²	45	16%	0.155	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-10.4	-174.8	-69.4	-47.8	0	0	0	113.3	K247 S248 D300 L304 K307	K247-D302 WeakPolarHBondContact CB-OD1 3.5Å; K247-D302 WeakPolarHBondContact CD-OD1 3.23Å; K247-D302 WeakPolarHBondContact CG-OD1 3.27Å; K247-D302 PolarHBondContact N-OD2 3.46Å; S248-D302 PolarHBondContact N-OD2 3.49Å; D300-D302 VanDerWaalsContact C-N 3.26Å; D300-D302 PolarHBondContact O-N 2.95Å; D302-L304 HydrophobicContact CB-CB 4.28Å; D302-L304 HydrophobicContact CB-CD1 4.07Å; D302-L304 HydrophobicContact CB-CG 4.11Å; D302-L304 WeakPolarHBondContact O-CG 3.05Å; D302-L304 PolarHBondContact O-N 2.63Å; D302-K307 IonicContact OD2-NZ 3.11Å
303	E	70.2	Confident	82.5	Confident	179 Å²	179	48 Å²	48	84%	0.836	26%	0.255	S	S	*	.			trans	50.3	11.9	-171.5	-64.6	-175.5	170.7	0	0	114.3
304	L	78.3	Confident	82.6	Confident	38 Å²	38	52.6 Å²	52.6	20%	0.199	28%	0.279	C	S	.	.			trans	-84.1	120.3	-176.9	-73	173.2	0	0	0	109.7	L246 D302 V306 F460	L246-L304 HydrophobicContact CD2-CD1 4.31Å; D302-L304 HydrophobicContact CB-CB 4.28Å; D302-L304 HydrophobicContact CB-CD1 4.07Å; D302-L304 HydrophobicContact CB-CG 4.11Å; D302-L304 WeakPolarHBondContact O-CG 3.05Å; D302-L304 PolarHBondContact O-N 2.63Å; L304-V306 WeakPolarHBondContact CB-O 3.2Å; L304-V306 PolarHBondContact O-N 3.34Å; L304-F460 HydrophobicContact CD1-CD1 4.27Å; L304-F460 HydrophobicContact CD1-CE1 4.18Å; L304-F460 HydrophobicContact CD2-CD1 4.27Å
305	P	83.7	Confident	82.8	Confident	35 Å²	35	50.7 Å²	50.7	23%	0.227	27%	0.269	C	S	.	.	S	Bend	trans	-66.5	-24.9	178.5	28.3	-36.5	0	0	0	112.6	G405 M406 L409 I412	P305-G405 CarbonylContact O-C 3.59Å; P305-G405 WeakPolarHBondContact O-CA 3.39Å; P305-G405 PolarHBondContact O-N 3.43Å; P305-M406 WeakPolarHBondContact O-CG 3.22Å; P305-M406 PolarHBondContact O-N 3.15Å; P305-M406 VanDerWaalsContact O-N 3.13Å; P305-L409 HydrophobicContact CB-CB 4.18Å; P305-L409 HydrophobicContact CB-CD2 3.59Å; P305-L409 HydrophobicContact CG-CD2 3.5Å; P305-L409 VanDerWaalsContact CG-CD2 3.5Å; P305-I412 HydrophobicContact CG-CD1 4.28Å
306	V	90.2	Very high	83	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.018	27%	0.269	C	S	.	.			trans	-118	128.3	177.7	177.5	0	0	0	0	107.4	L304 V401 M406 I412 L459 F460	L304-V306 WeakPolarHBondContact CB-O 3.2Å; L304-V306 PolarHBondContact O-N 3.34Å; V306-V401 HydrophobicContact CB-CG1 4.37Å; V306-V401 HydrophobicContact CG1-CG1 3.42Å; V306-V401 VanDerWaalsContact CG1-CG1 3.42Å; V306-V401 HydrophobicContact CG2-CG1 3.99Å; V306-M406 HydrophobicContact CG2-CG 3.82Å; V306-M406 HydrophobicContact CG2-SD 3.91Å; V306-I412 HydrophobicContact CG2-CD1 4.12Å; V306-I412 HydrophobicContact CG2-CG1 4.49Å; V306-I412 HydrophobicContact CG2-CG2 3.91Å; V306-L459 HydrophobicContact CG1-CD1 4.23Å; V306-L459 HydrophobicContact CG2-CD1 4.31Å; V306-F460 HydrophobicContact CB-CZ 4.27Å; V306-F460 HydrophobicContact CG1-CE2 4.23Å; V306-F460 HydrophobicContact CG1-CZ 3.8Å; V306-F460 WeakPolarHBondContact O-CE1 3.26Å
307	K	89.7	Confident	83.2	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.009	27%	0.266	C	S	.	.			trans	-92.3	-39.9	178.2	-66.1	-60.2	-176.5	167	0	112.6	T234 L246 S248 E253 D300 D302 V402	T234-K307 WeakPolarHBondContact CA-O 3.07Å; L246-K307 HydrophobicContact CD1-CB 4.23Å; L246-K307 WeakPolarHBondContact CD1-O 3.24Å; L246-K307 HydrophobicContact CD2-CD 4.41Å; L246-K307 WeakPolarHBondContact CD2-O 3.22Å; S248-K307 PolarHBondContact O-NZ 3.24Å; S248-K307 VanDerWaalsContact O-NZ 3.16Å; E253-K307 VanDerWaalsContact CD-CG 3.42Å; E253-K307 HydrophobicContact CG-CG 4.44Å; E253-K307 WeakPolarHBondContact OE1-CG 2.9Å; E253-K307 WeakPolarHBondContact OE2-CG 3.42Å; D300-K307 VanDerWaalsContact OD1-CE 3.23Å; D300-K307 WeakPolarHBondContact OD1-CE 3.21Å; D300-K307 IonicContact OD1-NZ 3.12Å; D300-K307 PolarHBondContact OD1-NZ 3.04Å; D302-K307 IonicContact OD2-NZ 3.11Å; K307-V402 PolarHBondContact N-O 2.98Å
308	G	91.8	Very high	84	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	161.5	-176.3	0	0	0	0	0	114.8	T234 V402	T234-G308 CarbonylContact O-C 3.52Å; T234-G308 WeakPolarHBondContact O-CA 3.45Å; G308-V402 PolarHBondContact N-O 3.02Å; G308-V402 PolarHBondContact O-N 3.3Å
309	I	93.4	Very high	85.3	Confident	5 Å²	5	44 Å²	44	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.1	172.1	-56.2	161	0	0	0	106.3	T234 C235 I399 S400 V401 V452 T455 H456 L459 F460	T234-I309 PolarHBondContact O-N 3.41Å; C235-I309 HydrophobicContact CB-CB 4.48Å; I309-I399 HydrophobicContact CG2-CG2 3.99Å; I309-S400 CarbonylContact C-O 3.5Å; I309-S400 VanDerWaalsContact CA-O 3.3Å; I309-S400 WeakPolarHBondContact CA-O 3.47Å; I309-V401 HydrophobicContact CG1-CG2 4.4Å; I309-V452 HydrophobicContact CG2-CB 4.39Å; I309-V452 HydrophobicContact CG2-CG1 3.99Å; I309-V452 HydrophobicContact CG2-CG2 4.19Å; I309-T455 HydrophobicContact CD1-CG2 3.67Å; I309-T455 HydrophobicContact CG1-CG2 4.21Å; I309-H456 HydrophobicContact CD1-CB 3.71Å; I309-H456 VanDerWaalsContact CD1-N 3.32Å; I309-L459 HydrophobicContact CD1-CD1 4.31Å; I309-F460 HydrophobicContact CD1-CD2 4.2Å; I309-F460 HydrophobicContact CD1-CE2 3.66Å; I309-F460 HydrophobicContact CG1-CE2 4.02Å
310	S	92.9	Very high	87.1	Confident	5 Å²	5	35.6 Å²	35.6	4%	0.035	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	161	176.8	71.2	0	0	0	0	110.8	F260 I399 S400	F260-S310 WeakPolarHBondContact CB-OG 3.23Å; F260-S310 VanDerWaalsContact O-CB 3.24Å; F260-S310 WeakPolarHBondContact O-CB 3.43Å; F260-S310 PolarHBondContact O-OG 2.9Å; S310-I399 WeakPolarHBondContact O-CA 3.28Å; S310-S400 PolarHBondContact N-O 3.33Å; S310-S400 PolarHBondContact O-N 2.8Å
311	N	93.5	Very high	88.6	Confident	21 Å²	21	32.4 Å²	32.4	11%	0.112	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.8	173.6	61.1	-35	0	0	0	112.6	F260 N313 I398 I399 V452	F260-N311 CarbonylContact O-C 3.48Å; N311-N313 PolarHBondContact ND2-ND2 3.06Å; N311-N313 PolarHBondContact ND2-OD1 3.16Å; N311-I398 CarbonylContact C-O 3.56Å; N311-I398 WeakPolarHBondContact CA-O 3.44Å; N311-I399 HydrophobicContact CB-CG1 4.46Å; N311-V452 HydrophobicContact CB-CG2 3.84Å
312	L	93.1	Very high	89.9	Confident	36 Å²	36	27.5 Å²	27.5	19%	0.188	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111.3	166.3	-72.6	175	0	0	0	109.2	F260 M315 V347 A397 I398	F260-L312 VanDerWaalsContact C-CG 3.48Å; F260-L312 HydrophobicContact CD1-CD1 4.15Å; L312-M315 HydrophobicContact CB-CG 4.48Å; L312-V347 HydrophobicContact CD1-CG1 3.59Å; L312-A397 CarbonylContact O-C 3.48Å; L312-A397 WeakPolarHBondContact O-CA 3.26Å; L312-A397 WeakPolarHBondContact O-CB 3.49Å; L312-I398 HydrophobicContact CB-CB 4.29Å; L312-I398 PolarHBondContact N-O 3.36Å; L312-I398 PolarHBondContact O-N 2.87Å
313	N	93.9	Very high	90.8	Very high	66 Å²	66	29.9 Å²	29.9	35%	0.353	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	165.3	178.5	-63.2	-29.1	0	0	0	111.5	N311 N445 A448	N311-N313 PolarHBondContact ND2-ND2 3.06Å; N311-N313 PolarHBondContact ND2-OD1 3.16Å; N313-N445 WeakPolarHBondContact CA-OD1 3.2Å; N313-N445 WeakPolarHBondContact CB-OD1 3.3Å; N313-A448 WeakPolarHBondContact OD1-CB 3.17Å
314	N	95.6	Very high	91.3	Very high	97 Å²	97	21.7 Å²	21.7	52%	0.519	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.1	61.6	176.4	-51.9	-56.4	0	0	0	112.3	Q364 L396 N445	N314-Q364 HydrophobicContact CB-CB 4.02Å; N314-Q364 WeakPolarHBondContact O-CB 3.48Å; N314-Q364 PolarHBondContact O-N 2.88Å; N314-L396 PolarHBondContact N-O 3.06Å; N314-N445 PolarHBondContact N-OD1 2.88Å
315	M	96.5	Very high	91.4	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.039	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	150.7	174.9	-60.1	-59.6	-66.1	0	0	110.4	L312 V347 C361 V362 Q364 R395 L396 I398	L312-M315 HydrophobicContact CB-CG 4.48Å; M315-V347 HydrophobicContact CE-CB 3.67Å; M315-V347 HydrophobicContact CE-CG1 4.1Å; M315-V347 HydrophobicContact CE-CG2 3.61Å; M315-C361 HydrophobicContact CE-CB 3.85Å; M315-V362 WeakPolarHBondContact CA-O 3.18Å; M315-V362 VanDerWaalsContact CE-C 3.42Å; M315-V362 WeakPolarHBondContact CE-O 3.5Å; M315-Q364 PolarHBondContact O-OE1 2.78Å; M315-R395 PolarHBondContact O-N 3.42Å; M315-L396 HydrophobicContact CB-CB 4.41Å; M315-L396 PolarHBondContact N-O 2.95Å; M315-L396 WeakPolarHBondContact O-CB 3.41Å; M315-L396 PolarHBondContact O-N 2.91Å; M315-I398 HydrophobicContact CE-CD1 3.96Å; M315-I398 HydrophobicContact CG-CD1 4.18Å; M315-I398 HydrophobicContact CG-CG1 4.18Å
316	A	97.6	Very high	91	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.7	168	0	0	0	0	0	109.1	F318 C361 V362 C367 T393	A316-F318 HydrophobicContact CB-CE2 4.21Å; A316-C361 CarbonylContact O-C 3.53Å; A316-C361 VanDerWaalsContact O-CA 3.29Å; A316-C361 WeakPolarHBondContact O-CA 3.17Å; A316-V362 HydrophobicContact CB-CG2 4.31Å; A316-V362 PolarHBondContact N-O 3.32Å; A316-V362 PolarHBondContact O-N 2.83Å; A316-C367 HydrophobicContact CB-CB 4.06Å; A316-T393 CarbonylContact C-O 3.59Å; A316-T393 WeakPolarHBondContact CA-O 3.18Å
317	M	97.3	Very high	90.1	Very high	12 Å²	12	29.4 Å²	29.4	6%	0.059	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.6	175.6	-171.2	175.8	74	0	0	110.1	F360 V392 T393 L396 V428 A429	M317-F360 WeakPolarHBondContact CA-O 3.41Å; M317-V392 WeakPolarHBondContact O-CA 3.3Å; M317-T393 PolarHBondContact N-O 3.43Å; M317-T393 PolarHBondContact O-N 3.49Å; M317-L396 HydrophobicContact CB-CD1 3.52Å; M317-V428 HydrophobicContact CE-CG1 3.37Å; M317-V428 HydrophobicContact SD-CG1 4.2Å; M317-A429 HydrophobicContact SD-CB 3.92Å
318	F	97	Very high	89.4	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.3	172.3	-74.5	-97.8	0	0	0	108.6	A316 S359 F360 V362 C367 A370 E371 A391 V392	A316-F318 HydrophobicContact CB-CE2 4.21Å; F318-S359 CarbonylContact O-C 3.53Å; F318-S359 WeakPolarHBondContact O-CA 3.11Å; F318-S359 WeakPolarHBondContact O-CB 3.24Å; F318-F360 HydrophobicContact CB-CD1 4.27Å; F318-F360 HydrophobicContact CB-CD2 4.33Å; F318-F360 HydrophobicContact CB-CE1 3.76Å; F318-F360 HydrophobicContact CB-CE2 3.83Å; F318-F360 HydrophobicContact CB-CZ 3.52Å; F318-F360 HydrophobicContact CD2-CE2 4.25Å; F318-F360 HydrophobicContact CG-CE2 4.16Å; F318-F360 HydrophobicContact CG-CZ 4.06Å; F318-F360 PolarHBondContact N-O 3.38Å; F318-F360 PolarHBondContact O-N 2.82Å; F318-V362 HydrophobicContact CD2-CG2 3.87Å; F318-V362 HydrophobicContact CE2-CG2 3.55Å; F318-C367 WeakPolarHBondContact CZ-O 3.2Å; F318-A370 HydrophobicContact CD2-CB 4.47Å; F318-A370 HydrophobicContact CE1-CB 4.36Å; F318-A370 HydrophobicContact CE2-CB 3.82Å; F318-A370 HydrophobicContact CZ-CB 3.77Å; F318-E371 HydrophobicContact CE1-CB 3.7Å; F318-E371 HydrophobicContact CE1-CG 4.22Å; F318-E371 HydrophobicContact CZ-CB 4.04Å; F318-A391 CarbonylContact C-O 3.51Å; F318-A391 WeakPolarHBondContact CA-O 3.41Å; F318-V392 HydrophobicContact CD1-CG1 4.45Å; F318-V392 HydrophobicContact CD1-CG2 3.68Å; F318-V392 HydrophobicContact CE1-CB 4.34Å; F318-V392 HydrophobicContact CE1-CG1 3.95Å; F318-V392 HydrophobicContact CE1-CG2 3.43Å; F318-V392 VanDerWaalsContact CE1-CG2 3.43Å; F318-V392 HydrophobicContact CE2-CG1 4.19Å; F318-V392 HydrophobicContact CZ-CG1 3.8Å; F318-V392 HydrophobicContact CZ-CG2 4.15Å
319	S	94.7	Very high	88.7	Confident	18 Å²	18	40.4 Å²	40.4	13%	0.126	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.2	171	-52.3	0	0	0	0	110	I358 S359 A391	S319-I358 WeakPolarHBondContact CA-O 3.46Å; S319-S359 VanDerWaalsContact CB-OG 3.28Å; S319-S359 WeakPolarHBondContact CB-OG 3.5Å; S319-S359 WeakPolarHBondContact OG-CB 3.4Å; S319-S359 PolarHBondContact OG-OG 3.09Å; S319-A391 PolarHBondContact N-O 2.97Å; S319-A391 PolarHBondContact O-N 2.99Å
320	V	93.4	Very high	88.4	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.8	173.8	-171.8	0	0	0	0	107	M325 V335 S357 I358 F360 M374 L387 L390	V320-M325 HydrophobicContact CG1-SD 4.17Å; V320-V335 HydrophobicContact CG2-CG2 4.21Å; V320-S357 VanDerWaalsContact O-CA 3.26Å; V320-S357 WeakPolarHBondContact O-CA 3.39Å; V320-I358 PolarHBondContact N-O 3.09Å; V320-I358 PolarHBondContact O-N 2.88Å; V320-F360 HydrophobicContact CG2-CE1 4.29Å; V320-M374 HydrophobicContact CG2-CE 3.28Å; V320-L387 HydrophobicContact CG1-CD1 3.98Å; V320-L387 HydrophobicContact CG1-CD2 4.03Å; V320-L390 HydrophobicContact CB-CD2 4.42Å; V320-L390 HydrophobicContact CG1-CD2 4.35Å; V320-L390 HydrophobicContact CG2-CD2 3.88Å
321	S	92	Very high	88.1	Confident	20 Å²	20	41.8 Å²	41.8	14%	0.14	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.9	-175	-58.6	0	0	0	0	110.3	S357 E388	S321-S357 VanDerWaalsContact OG-CB 3.3Å; S321-S357 WeakPolarHBondContact OG-CB 3.43Å; S321-E388 WeakPolarHBondContact O-CB 3.24Å; S321-E388 PolarHBondContact O-N 3.13Å
322	G	88.7	Confident	87.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	152.5	168.9	168.1	0	0	0	0	0	114.1	G324 M325 Y356 L386	G322-G324 PolarHBondContact O-N 2.85Å; G322-M325 VanDerWaalsContact O-CB 3.3Å; G322-M325 WeakPolarHBondContact O-CB 3.24Å; G322-M325 PolarHBondContact O-N 3.33Å; G322-Y356 VanDerWaalsContact C-CE2 3.5Å; G322-Y356 PolarHBondContact N-O 3.37Å; G322-Y356 WeakPolarHBondContact O-CE2 3.3Å; G322-L386 CarbonylContact C-O 3.57Å
323	P	83.4	Confident	87.7	Confident	80 Å²	80	43.7 Å²	43.7	52%	0.519	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-59.6	-30.7	-178.6	24	-33.9	0	0	0	112.9	M325 K326 L386	P323-M325 PolarHBondContact O-N 3.35Å; P323-K326 PolarHBondContact O-N 2.94Å; P323-L386 VanDerWaalsContact CD-O 3.28Å; P323-L386 WeakPolarHBondContact CD-O 3.46Å
324	G	80.4	Confident	87.6	Confident	7 Å²	7	43.5 Å²	43.5	7%	0.072	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-67.3	-12.3	176.7	0	0	0	0	0	114.7	G322 M328 L386	G322-G324 PolarHBondContact O-N 2.85Å; G324-M328 VanDerWaalsContact O-CB 3.23Å; G324-M328 WeakPolarHBondContact O-CB 3.27Å; G324-L386 WeakPolarHBondContact CA-O 3.43Å; G324-L386 PolarHBondContact N-O 3.24Å
325	M	80.9	Confident	87.5	Confident	6 Å²	6	38.9 Å²	38.9	3%	0.03	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-76.3	-32.8	174	-64.8	-70.4	-71.2	0	0	112.1	V320 G322 P323 G327 M328 M331 E355 Y356 I358 L387	V320-M325 HydrophobicContact CG1-SD 4.17Å; G322-M325 VanDerWaalsContact O-CB 3.3Å; G322-M325 WeakPolarHBondContact O-CB 3.24Å; G322-M325 PolarHBondContact O-N 3.33Å; P323-M325 PolarHBondContact O-N 3.35Å; M325-G327 PolarHBondContact O-N 2.84Å; M325-G327 VanDerWaalsContact O-N 3.15Å; M325-M328 PolarHBondContact O-N 2.93Å; M325-M331 HydrophobicContact CE-CB 4.16Å; M325-M331 HydrophobicContact SD-CB 3.77Å; M325-M331 HydrophobicContact SD-CG 3.88Å; M325-M331 HydrophobicContact SD-SD 4.4Å; M325-E355 WeakPolarHBondContact CB-O 3.41Å; M325-Y356 WeakPolarHBondContact CB-O 3.44Å; M325-Y356 WeakPolarHBondContact CG-O 3.43Å; M325-I358 HydrophobicContact CE-CB 4.33Å; M325-I358 HydrophobicContact CE-CD1 3.66Å; M325-I358 HydrophobicContact CE-CG1 3.68Å; M325-L387 HydrophobicContact CG-CD2 3.67Å; M325-L387 HydrophobicContact SD-CD2 3.83Å
326	K	74.1	Confident	87.4	Confident	166 Å²	166	41.6 Å²	41.6	72%	0.722	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	109.8	-171.5	-171.7	177.5	-179.5	179.2	0	111	P323 M328	P323-K326 PolarHBondContact O-N 2.94Å; K326-M328 VanDerWaalsContact C-N 3.3Å; K326-M328 PolarHBondContact O-N 2.75Å
327	G	71.3	Confident	87.3	Confident	66 Å²	66	43.2 Å²	43.2	68%	0.68	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	3.4	176.3	0	0	0	0	0	115	M325	M325-G327 PolarHBondContact O-N 2.84Å; M325-G327 VanDerWaalsContact O-N 3.15Å
328	M	75.4	Confident	87.2	Confident	85 Å²	85	42.8 Å²	42.8	42%	0.419	27%	0.267	S	S	.	.			trans	-91.9	109.9	175.5	-162.7	172.4	-58.1	0	0	110.8	G324 M325 K326 G330 M331	G324-M328 VanDerWaalsContact O-CB 3.23Å; G324-M328 WeakPolarHBondContact O-CB 3.27Å; M325-M328 PolarHBondContact O-N 2.93Å; K326-M328 VanDerWaalsContact C-N 3.3Å; K326-M328 PolarHBondContact O-N 2.75Å; M328-G330 PolarHBondContact O-N 3.34Å; M328-M331 HydrophobicContact CB-CG 4.34Å; M328-M331 HydrophobicContact CE-CE 4.39Å; M328-M331 HydrophobicContact CG-CE 4.05Å; M328-M331 HydrophobicContact SD-CE 3.11Å; M328-M331 WeakPolarHBondContact SD-CE 3.24Å
329	V	78.4	Confident	87.2	Confident	147 Å²	147	42.8 Å²	42.8	89%	0.891	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	133.1	178.4	-177.3	0	0	0	0	110.1
330	G	85.6	Confident	87.2	Confident	32 Å²	32	46 Å²	46	33%	0.33	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.7	-3.6	170.6	0	0	0	0	0	115.9	M328 A332 A333 R334	M328-G330 PolarHBondContact O-N 3.34Å; G330-A332 PolarHBondContact O-N 3.36Å; G330-A333 WeakPolarHBondContact O-CB 3.21Å; G330-A333 PolarHBondContact O-N 3.15Å; G330-A333 VanDerWaalsContact O-N 3.17Å; G330-R334 PolarHBondContact O-N 3.31Å
331	M	87	Confident	87.3	Confident	8 Å²	8	53.5 Å²	53.5	4%	0.039	32%	0.318	C	S	.	.	H	α-helix	trans	-57.5	-51.4	176.2	-76.3	-63.5	162.4	0	0	112.3	M325 M328 A333 R334 V335 F378 E381	M325-M331 HydrophobicContact CE-CB 4.16Å; M325-M331 HydrophobicContact SD-CB 3.77Å; M325-M331 HydrophobicContact SD-CG 3.88Å; M325-M331 HydrophobicContact SD-SD 4.4Å; M328-M331 HydrophobicContact CB-CG 4.34Å; M328-M331 HydrophobicContact CE-CE 4.39Å; M328-M331 HydrophobicContact CG-CE 4.05Å; M328-M331 HydrophobicContact SD-CE 3.11Å; M328-M331 WeakPolarHBondContact SD-CE 3.24Å; M331-A333 VanDerWaalsContact C-N 3.27Å; M331-A333 PolarHBondContact O-N 3.05Å; M331-R334 WeakPolarHBondContact O-CB 3.23Å; M331-R334 PolarHBondContact O-N 3.21Å; M331-R334 VanDerWaalsContact O-N 3.09Å; M331-V335 WeakPolarHBondContact O-CG2 3.45Å; M331-V335 PolarHBondContact O-N 2.85Å; M331-F378 HydrophobicContact SD-CD1 4.34Å; M331-F378 HydrophobicContact SD-CE1 3.61Å; M331-E381 HydrophobicContact CE-CG 4.29Å
332	A	87.1	Confident	87.4	Confident	32 Å²	32	53.7 Å²	53.7	26%	0.264	32%	0.321	S	S	.	.	H	α-helix	trans	-54.7	-43.3	174.9	0	0	0	0	0	112.3	G330 R334 V335 F336 I358	G330-A332 PolarHBondContact O-N 3.36Å; A332-R334 VanDerWaalsContact C-N 3.32Å; A332-R334 PolarHBondContact O-N 2.86Å; A332-V335 PolarHBondContact O-N 2.84Å; A332-F336 HydrophobicContact CB-CE2 4.29Å; A332-F336 WeakPolarHBondContact O-CD2 3.42Å; A332-F336 PolarHBondContact O-N 3.08Å; A332-F336 VanDerWaalsContact O-N 3.08Å; A332-I358 HydrophobicContact CB-CD1 3.51Å
333	A	90.8	Very high	87.5	Confident	65 Å²	65	64.3 Å²	64.3	54%	0.537	36%	0.361	S	S	.	.	H	α-helix	trans	-62.5	-39.7	179	0	0	0	0	0	111.8	G330 M331 A337	G330-A333 WeakPolarHBondContact O-CB 3.21Å; G330-A333 PolarHBondContact O-N 3.15Å; G330-A333 VanDerWaalsContact O-N 3.17Å; M331-A333 VanDerWaalsContact C-N 3.27Å; M331-A333 PolarHBondContact O-N 3.05Å; A333-A337 WeakPolarHBondContact O-CB 3.11Å; A333-A337 PolarHBondContact O-N 3.09Å
334	R	92.1	Very high	88	Confident	61 Å²	61	61 Å²	61	23%	0.23	34%	0.339	C	S	.	.	H	α-helix	trans	-65.1	-44.3	175.6	-73.8	174.8	63.2	-166.5	1.6	112.4	G330 M331 A332 F336 A337 A338 E377 F378 E381	G330-R334 PolarHBondContact O-N 3.31Å; M331-R334 WeakPolarHBondContact O-CB 3.23Å; M331-R334 PolarHBondContact O-N 3.21Å; M331-R334 VanDerWaalsContact O-N 3.09Å; A332-R334 VanDerWaalsContact C-N 3.32Å; A332-R334 PolarHBondContact O-N 2.86Å; R334-F336 PolarHBondContact O-N 3.09Å; R334-A337 PolarHBondContact O-N 2.92Å; R334-A338 WeakPolarHBondContact O-CB 3.33Å; R334-A338 PolarHBondContact O-N 3.49Å; R334-E377 HydrophobicContact CB-CG 4.36Å; R334-E377 IonicContact CZ-OE1 2.69Å; R334-E377 IonicContact NE-OE1 3.71Å; R334-E377 PolarHBondContact NE-OE1 3.13Å; R334-E377 PolarHBondContact NH2-O 2.96Å; R334-E377 IonicContact NH2-OE1 4Å; R334-F378 HydrophobicContact CB-CE1 4.1Å; R334-F378 HydrophobicContact CB-CZ 3.74Å; R334-E381 IonicContact CZ-OE1 3.66Å; R334-E381 VanDerWaalsContact CZ-OE1 3.26Å; R334-E381 IonicContact NH1-OE1 3.91Å; R334-E381 PolarHBondContact NH1-OE1 3.18Å; R334-E381 VanDerWaalsContact NH2-CD 3.34Å; R334-E381 IonicContact NH2-OE1 2.76Å; R334-E381 PolarHBondContact NH2-OE1 2.9Å; R334-E381 IonicContact NH2-OE2 3.78Å; R334-E381 PolarHBondContact NH2-OE2 3.11Å; R334-E381 VanDerWaalsContact NH2-OE2 3.13Å
335	V	93	Very high	88.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-54.7	-54.5	175.4	176.7	0	0	0	0	110.4	V320 M331 A332 A338 M339 F360 M374 F378	V320-V335 HydrophobicContact CG2-CG2 4.21Å; M331-V335 WeakPolarHBondContact O-CG2 3.45Å; M331-V335 PolarHBondContact O-N 2.85Å; A332-V335 PolarHBondContact O-N 2.84Å; V335-A338 PolarHBondContact O-N 3.15Å; V335-M339 WeakPolarHBondContact O-CG 3.34Å; V335-M339 PolarHBondContact O-N 3.03Å; V335-M339 VanDerWaalsContact O-N 3.13Å; V335-F360 HydrophobicContact CG1-CD1 3.85Å; V335-F360 HydrophobicContact CG1-CE1 3.33Å; V335-F360 HydrophobicContact CG1-CZ 3.88Å; V335-M374 HydrophobicContact CB-CE 4.37Å; V335-M374 HydrophobicContact CG1-CE 3.95Å; V335-M374 HydrophobicContact CG1-SD 4.13Å; V335-M374 HydrophobicContact CG2-CE 4Å; V335-F378 HydrophobicContact CG2-CE2 3.84Å; V335-F378 HydrophobicContact CG2-CZ 3.67Å
336	F	94.3	Very high	89.1	Confident	65 Å²	65	65 Å²	65	29%	0.285	37%	0.365	S	S	.	.	H	α-helix	trans	-72.2	-32.2	-176.7	-61.7	-55.7	0	0	0	113.1	A332 R334 M339 S340 V346 I349 I358	A332-F336 HydrophobicContact CB-CE2 4.29Å; A332-F336 WeakPolarHBondContact O-CD2 3.42Å; A332-F336 PolarHBondContact O-N 3.08Å; A332-F336 VanDerWaalsContact O-N 3.08Å; R334-F336 PolarHBondContact O-N 3.09Å; F336-M339 PolarHBondContact O-N 3.37Å; F336-S340 VanDerWaalsContact O-CB 3.28Å; F336-S340 WeakPolarHBondContact O-CB 3.47Å; F336-S340 PolarHBondContact O-N 2.85Å; F336-V346 HydrophobicContact CD1-CG2 4.38Å; F336-V346 HydrophobicContact CE1-CG1 4.31Å; F336-I349 HydrophobicContact CD1-CD1 4.31Å; F336-I349 HydrophobicContact CE1-CD1 3.44Å; F336-I349 VanDerWaalsContact CE1-CD1 3.44Å; F336-I349 HydrophobicContact CE1-CG1 3.75Å; F336-I349 HydrophobicContact CE1-CG2 4.41Å; F336-I349 HydrophobicContact CE2-CD1 4.41Å; F336-I349 HydrophobicContact CZ-CB 4.45Å; F336-I349 HydrophobicContact CZ-CD1 3.52Å; F336-I349 HydrophobicContact CZ-CG1 3.87Å; F336-I349 HydrophobicContact CZ-CG2 3.71Å; F336-I358 HydrophobicContact CZ-CG2 4.41Å
337	A	95.5	Very high	89.9	Confident	35 Å²	35	58.1 Å²	58.1	29%	0.289	34%	0.337	S	S	.	.	H	α-helix	trans	-65.2	-41	173	0	0	0	0	0	111.6	A333 R334 S340 R341	A333-A337 WeakPolarHBondContact O-CB 3.11Å; A333-A337 PolarHBondContact O-N 3.09Å; R334-A337 PolarHBondContact O-N 2.92Å; A337-S340 PolarHBondContact O-N 3.05Å; A337-R341 WeakPolarHBondContact O-CB 3.5Å; A337-R341 WeakPolarHBondContact O-CG 3.46Å; A337-R341 PolarHBondContact O-N 3.47Å
338	A	96.1	Very high	90.9	Very high	3 Å²	3	55.4 Å²	55.4	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-47	175.5	0	0	0	0	0	111.4	R334 V335 S340 R341 A342 M374 E377	R334-A338 WeakPolarHBondContact O-CB 3.33Å; R334-A338 PolarHBondContact O-N 3.49Å; V335-A338 PolarHBondContact O-N 3.15Å; A338-S340 PolarHBondContact O-N 3.13Å; A338-R341 PolarHBondContact O-N 2.97Å; A338-A342 WeakPolarHBondContact O-CB 3.39Å; A338-A342 PolarHBondContact O-N 2.62Å; A338-M374 HydrophobicContact CB-SD 4.39Å; A338-E377 HydrophobicContact CB-CB 4.03Å; A338-E377 HydrophobicContact CB-CG 4.05Å
339	M	96.5	Very high	91.8	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-43	175.5	-65.7	-58.5	94.1	0	0	112.5	V335 F336 A342 R343 I344 V346 F360 A370 A373 M374	V335-M339 WeakPolarHBondContact O-CG 3.34Å; V335-M339 PolarHBondContact O-N 3.03Å; V335-M339 VanDerWaalsContact O-N 3.13Å; F336-M339 PolarHBondContact O-N 3.37Å; M339-A342 CarbonylContact O-C 3.55Å; M339-A342 PolarHBondContact O-N 3.04Å; M339-R343 PolarHBondContact O-N 2.65Å; M339-R343 VanDerWaalsContact O-N 3.11Å; M339-I344 PolarHBondContact O-N 2.85Å; M339-I344 HydrophobicContact SD-CB 4.3Å; M339-I344 HydrophobicContact SD-CD1 4.21Å; M339-I344 HydrophobicContact SD-CG2 4.27Å; M339-V346 HydrophobicContact CB-CG2 3.95Å; M339-V346 HydrophobicContact CG-CG2 3.89Å; M339-F360 HydrophobicContact CG-CE2 3.99Å; M339-F360 HydrophobicContact CG-CZ 4.31Å; M339-F360 HydrophobicContact SD-CE2 3.81Å; M339-F360 HydrophobicContact SD-CZ 4.22Å; M339-A370 HydrophobicContact CE-CB 4.3Å; M339-A370 HydrophobicContact SD-CB 3.93Å; M339-A373 HydrophobicContact CE-CB 3.88Å; M339-M374 HydrophobicContact CE-CG 3.57Å; M339-M374 HydrophobicContact CE-SD 3.69Å
340	S	94.4	Very high	92.4	Very high	85 Å²	85	50.4 Å²	50.4	59%	0.594	28%	0.278	S	S	*	.	H	α-helix	trans	-62.5	-46.8	177.8	-177.8	0	0	0	0	112.2	F336 A337 A338 A342 R343	F336-S340 VanDerWaalsContact O-CB 3.28Å; F336-S340 WeakPolarHBondContact O-CB 3.47Å; F336-S340 PolarHBondContact O-N 2.85Å; A337-S340 PolarHBondContact O-N 3.05Å; A338-S340 PolarHBondContact O-N 3.13Å; S340-A342 VanDerWaalsContact C-N 3.27Å; S340-A342 PolarHBondContact O-N 3.31Å; S340-R343 WeakPolarHBondContact O-CA 3.42Å; S340-R343 PolarHBondContact O-N 2.81Å
341	R	95.5	Very high	92.5	Very high	158 Å²	158	53.5 Å²	53.5	60%	0.596	28%	0.283	S	S	*	.	H	α-helix	trans	-61.8	-35.6	175.6	-71.2	-173.3	-52	-104.8	2.1	112.2	A337 A338 R343 E377	A337-R341 WeakPolarHBondContact O-CB 3.5Å; A337-R341 WeakPolarHBondContact O-CG 3.46Å; A337-R341 PolarHBondContact O-N 3.47Å; A338-R341 PolarHBondContact O-N 2.97Å; R341-R343 PolarHBondContact O-N 3.47Å; R341-E377 IonicContact CZ-OE2 2.73Å; R341-E377 IonicContact NH2-OE2 2.88Å; R341-E377 PolarHBondContact NH2-OE2 3.26Å
342	A	94.4	Very high	92.2	Very high	25 Å²	25	55 Å²	55	21%	0.207	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-2.1	174.1	0	0	0	0	0	113.8	A338 M339 S340 I344 R369 A373	A338-A342 WeakPolarHBondContact O-CB 3.39Å; A338-A342 PolarHBondContact O-N 2.62Å; M339-A342 CarbonylContact O-C 3.55Å; M339-A342 PolarHBondContact O-N 3.04Å; S340-A342 VanDerWaalsContact C-N 3.27Å; S340-A342 PolarHBondContact O-N 3.31Å; A342-I344 VanDerWaalsContact C-N 3.28Å; A342-I344 HydrophobicContact CB-CD1 3.73Å; A342-I344 HydrophobicContact CB-CG1 3.87Å; A342-I344 PolarHBondContact O-N 2.88Å; A342-R369 PolarHBondContact O-NE 3.38Å; A342-A373 HydrophobicContact CB-CB 4.03Å
343	R	91.6	Very high	91.6	Very high	222 Å²	222	59.7 Å²	59.7	84%	0.838	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	46.4	-174.2	-58.1	-173.6	-65.4	-161.7	-0.5	111.8	M339 S340 R341 R369	M339-R343 PolarHBondContact O-N 2.65Å; M339-R343 VanDerWaalsContact O-N 3.11Å; S340-R343 WeakPolarHBondContact O-CA 3.42Å; S340-R343 PolarHBondContact O-N 2.81Å; R341-R343 PolarHBondContact O-N 3.47Å; R343-R369 PolarHBondContact O-NH2 3.37Å
344	I	93.9	Very high	91	Very high	10 Å²	10	59.9 Å²	59.9	5%	0.051	32%	0.323	C	S	.	.			trans	-106.5	127.5	177.8	-60.6	174.9	0	0	0	108.5	M339 A342 V346 V362 D366 R369 A370	M339-I344 PolarHBondContact O-N 2.85Å; M339-I344 HydrophobicContact SD-CB 4.3Å; M339-I344 HydrophobicContact SD-CD1 4.21Å; M339-I344 HydrophobicContact SD-CG2 4.27Å; A342-I344 VanDerWaalsContact C-N 3.28Å; A342-I344 HydrophobicContact CB-CD1 3.73Å; A342-I344 HydrophobicContact CB-CG1 3.87Å; A342-I344 PolarHBondContact O-N 2.88Å; I344-V346 PolarHBondContact O-N 3.16Å; I344-V362 HydrophobicContact CG2-CB 4.01Å; I344-V362 HydrophobicContact CG2-CG1 3.74Å; I344-D366 HydrophobicContact CD1-CB 4.49Å; I344-D366 HydrophobicContact CG1-CB 4.35Å; I344-D366 HydrophobicContact CG2-CB 3.98Å; I344-R369 HydrophobicContact CD1-CB 4.03Å; I344-R369 HydrophobicContact CD1-CG 4.04Å; I344-A370 VanDerWaalsContact CD1-CA 3.44Å; I344-A370 HydrophobicContact CD1-CB 3.73Å
345	S	89.9	Confident	90.2	Very high	69 Å²	69	62.1 Å²	62.1	48%	0.483	34%	0.336	S	S	.	.			trans	-80.1	118.6	176.5	-172.3	0	0	0	0	109.9	P363	S345-P363 WeakPolarHBondContact O-CD 3.37Å
346	V	93.7	Very high	89.8	Confident	28 Å²	28	65.9 Å²	65.9	17%	0.17	35%	0.351	C	S	.	.			trans	-84.1	125.9	168	-179.9	0	0	0	0	108.5	Y259 F336 M339 I344 I349 F360 V362	Y259-V346 PolarHBondContact OH-O 3.13Å; F336-V346 HydrophobicContact CD1-CG2 4.38Å; F336-V346 HydrophobicContact CE1-CG1 4.31Å; M339-V346 HydrophobicContact CB-CG2 3.95Å; M339-V346 HydrophobicContact CG-CG2 3.89Å; I344-V346 PolarHBondContact O-N 3.16Å; V346-I349 HydrophobicContact CG1-CD1 4.09Å; V346-I349 HydrophobicContact CG1-CG1 3.58Å; V346-F360 HydrophobicContact CG1-CB 3.75Å; V346-F360 HydrophobicContact CG1-CD2 4.17Å; V346-F360 HydrophobicContact CG1-CG 4.32Å; V346-F360 HydrophobicContact CG2-CD2 4.07Å; V346-V362 HydrophobicContact CG2-CG1 4.44Å
347	V	91.5	Very high	89.6	Confident	23 Å²	23	64 Å²	64	14%	0.139	35%	0.346	C	S	.	.			trans	-99.2	-40	-172	178	0	0	0	0	112.2	Y259 L312 M315 C361 I398	Y259-V347 HydrophobicContact CE1-CG1 4.17Å; L312-V347 HydrophobicContact CD1-CG1 3.59Å; M315-V347 HydrophobicContact CE-CB 3.67Å; M315-V347 HydrophobicContact CE-CG1 4.1Å; M315-V347 HydrophobicContact CE-CG2 3.61Å; V347-C361 PolarHBondContact N-O 3.01Å; V347-I398 HydrophobicContact CB-CD1 4.42Å; V347-I398 HydrophobicContact CG1-CD1 3.8Å
348	L	93	Very high	89.5	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.042	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	140.3	-179.1	-177	151.2	0	0	0	108.5	F360 C361 I398 A431 V442	L348-F360 CarbonylContact O-C 3.53Å; L348-F360 WeakPolarHBondContact O-CA 3.17Å; L348-F360 WeakPolarHBondContact O-CB 3.35Å; L348-C361 HydrophobicContact CB-CB 4.09Å; L348-C361 PolarHBondContact O-N 3.24Å; L348-I398 HydrophobicContact CB-CD1 3.92Å; L348-I398 HydrophobicContact CD1-CD1 4.24Å; L348-I398 HydrophobicContact CD1-CG1 4.46Å; L348-I398 HydrophobicContact CD1-CG2 3.95Å; L348-A431 HydrophobicContact CD1-CB 3.79Å; L348-A431 HydrophobicContact CD2-CB 4.06Å; L348-A431 HydrophobicContact CG-CB 3.78Å; L348-V442 HydrophobicContact CD1-CG2 4.05Å; L348-V442 HydrophobicContact CD2-CG2 4.14Å
349	I	93.5	Very high	89.4	Confident	85 Å²	85	63 Å²	63	44%	0.436	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.7	178.7	-59.8	164.2	0	0	0	107.6	F336 V346 F360	F336-I349 HydrophobicContact CD1-CD1 4.31Å; F336-I349 HydrophobicContact CE1-CD1 3.44Å; F336-I349 VanDerWaalsContact CE1-CD1 3.44Å; F336-I349 HydrophobicContact CE1-CG1 3.75Å; F336-I349 HydrophobicContact CE1-CG2 4.41Å; F336-I349 HydrophobicContact CE2-CD1 4.41Å; F336-I349 HydrophobicContact CZ-CB 4.45Å; F336-I349 HydrophobicContact CZ-CD1 3.52Å; F336-I349 HydrophobicContact CZ-CG1 3.87Å; F336-I349 HydrophobicContact CZ-CG2 3.71Å; V346-I349 HydrophobicContact CG1-CD1 4.09Å; V346-I349 HydrophobicContact CG1-CG1 3.58Å; I349-F360 HydrophobicContact CG1-CB 4.32Å
350	T	91.4	Very high	89.4	Confident	43 Å²	43	63 Å²	63	26%	0.264	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.1	170.2	-170.2	0	0	0	0	109.1	S359 A429 I430	T350-S359 PolarHBondContact N-O 2.8Å; T350-S359 PolarHBondContact O-N 2.82Å; T350-A429 HydrophobicContact CG2-CB 4.08Å; T350-I430 PolarHBondContact OG1-O 3.46Å
351	Q	86.7	Confident	89.5	Confident	96 Å²	96	58.9 Å²	58.9	45%	0.449	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136	-177.3	178.1	176	13.4	0	0	109	S357 I358	Q351-S357 WeakPolarHBondContact CG-O 3.42Å; Q351-I358 HydrophobicContact CB-CG1 4.36Å; Q351-I358 HydrophobicContact CG-CG1 3.84Å
352	S	80.4	Confident	89.6	Confident	41 Å²	41	51.4 Å²	51.4	29%	0.287	28%	0.279	S	S	.	.			trans	-64.2	139.2	173.3	180	0	0	0	0	110.6	S354 E355 S357	S352-S354 PolarHBondContact O-N 2.79Å; S352-S354 VanDerWaalsContact O-N 3.16Å; S352-S354 PolarHBondContact OG-N 3.39Å; S352-S354 PolarHBondContact OG-OG 2.89Å; S352-E355 WeakPolarHBondContact O-CA 3.29Å; S352-E355 PolarHBondContact O-N 3.48Å; S352-S357 PolarHBondContact N-O 2.85Å
353	S	76.2	Confident	89.6	Confident	130 Å²	130	51.9 Å²	51.9	91%	0.909	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.2	173.9	55.5	0	0	0	0	113.2	E355	S353-E355 PolarHBondContact O-N 2.77Å
354	S	77.2	Confident	89.8	Confident	68 Å²	68	43.4 Å²	43.4	48%	0.476	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-0.5	171.7	62.1	0	0	0	0	114	S352 Y356	S352-S354 PolarHBondContact O-N 2.79Å; S352-S354 VanDerWaalsContact O-N 3.16Å; S352-S354 PolarHBondContact OG-N 3.39Å; S352-S354 PolarHBondContact OG-OG 2.89Å; S354-Y356 PolarHBondContact O-N 2.84Å; S354-Y356 VanDerWaalsContact OG-CB 3.32Å; S354-Y356 WeakPolarHBondContact OG-CB 3.14Å
355	E	75.8	Confident	89.9	Confident	108 Å²	108	48 Å²	48	51%	0.505	28%	0.284	S	S	.	.	S	Bend	trans	55.6	9.6	-170.6	-59.3	-179.7	178.8	0	0	114.2	M325 S352 S353 S357	M325-E355 WeakPolarHBondContact CB-O 3.41Å; S352-E355 WeakPolarHBondContact O-CA 3.29Å; S352-E355 PolarHBondContact O-N 3.48Å; S353-E355 PolarHBondContact O-N 2.77Å; E355-S357 VanDerWaalsContact C-N 3.33Å; E355-S357 PolarHBondContact O-N 2.89Å
356	Y	85.3	Confident	90.2	Very high	79 Å²	79	46 Å²	46	31%	0.31	27%	0.267	S	S	.	.	S	Bend	trans	-70.9	-28.1	-175.6	-173.5	-98.1	0	0	0	113.5	G322 M325 S354 E388	G322-Y356 VanDerWaalsContact C-CE2 3.5Å; G322-Y356 PolarHBondContact N-O 3.37Å; G322-Y356 WeakPolarHBondContact O-CE2 3.3Å; M325-Y356 WeakPolarHBondContact CB-O 3.44Å; M325-Y356 WeakPolarHBondContact CG-O 3.43Å; S354-Y356 PolarHBondContact O-N 2.84Å; S354-Y356 VanDerWaalsContact OG-CB 3.32Å; S354-Y356 WeakPolarHBondContact OG-CB 3.14Å; Y356-E388 PolarHBondContact OH-OE1 2.83Å
357	S	89.5	Confident	90.4	Very high	27 Å²	27	44.9 Å²	44.9	19%	0.189	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	142.9	-177.3	63.2	0	0	0	0	112.2	V320 S321 Q351 S352 E355	V320-S357 VanDerWaalsContact O-CA 3.26Å; V320-S357 WeakPolarHBondContact O-CA 3.39Å; S321-S357 VanDerWaalsContact OG-CB 3.3Å; S321-S357 WeakPolarHBondContact OG-CB 3.43Å; Q351-S357 WeakPolarHBondContact CG-O 3.42Å; S352-S357 PolarHBondContact N-O 2.85Å; E355-S357 VanDerWaalsContact C-N 3.33Å; E355-S357 PolarHBondContact O-N 2.89Å
358	I	92.3	Very high	90.6	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124	169.3	-61	174	0	0	0	107.1	S319 V320 M325 A332 F336 Q351	S319-I358 WeakPolarHBondContact CA-O 3.46Å; V320-I358 PolarHBondContact N-O 3.09Å; V320-I358 PolarHBondContact O-N 2.88Å; M325-I358 HydrophobicContact CE-CB 4.33Å; M325-I358 HydrophobicContact CE-CD1 3.66Å; M325-I358 HydrophobicContact CE-CG1 3.68Å; A332-I358 HydrophobicContact CB-CD1 3.51Å; F336-I358 HydrophobicContact CZ-CG2 4.41Å; Q351-I358 HydrophobicContact CB-CG1 4.36Å; Q351-I358 HydrophobicContact CG-CG1 3.84Å
359	S	94.5	Very high	90.8	Very high	15 Å²	15	54.4 Å²	54.4	11%	0.105	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142.7	174.1	-52.9	0	0	0	0	110.9	F318 S319 T350	F318-S359 CarbonylContact O-C 3.53Å; F318-S359 WeakPolarHBondContact O-CA 3.11Å; F318-S359 WeakPolarHBondContact O-CB 3.24Å; S319-S359 VanDerWaalsContact CB-OG 3.28Å; S319-S359 WeakPolarHBondContact CB-OG 3.5Å; S319-S359 WeakPolarHBondContact OG-CB 3.4Å; S319-S359 PolarHBondContact OG-OG 3.09Å; T350-S359 PolarHBondContact N-O 2.8Å; T350-S359 PolarHBondContact O-N 2.82Å
360	F	96.3	Very high	91	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	149.8	-178.9	61.7	-87.2	0	0	0	111.9	M317 F318 V320 V335 M339 V346 L348 I349 V362 M374	M317-F360 WeakPolarHBondContact CA-O 3.41Å; F318-F360 HydrophobicContact CB-CD1 4.27Å; F318-F360 HydrophobicContact CB-CD2 4.33Å; F318-F360 HydrophobicContact CB-CE1 3.76Å; F318-F360 HydrophobicContact CB-CE2 3.83Å; F318-F360 HydrophobicContact CB-CZ 3.52Å; F318-F360 HydrophobicContact CD2-CE2 4.25Å; F318-F360 HydrophobicContact CG-CE2 4.16Å; F318-F360 HydrophobicContact CG-CZ 4.06Å; F318-F360 PolarHBondContact N-O 3.38Å; F318-F360 PolarHBondContact O-N 2.82Å; V320-F360 HydrophobicContact CG2-CE1 4.29Å; V335-F360 HydrophobicContact CG1-CD1 3.85Å; V335-F360 HydrophobicContact CG1-CE1 3.33Å; V335-F360 HydrophobicContact CG1-CZ 3.88Å; M339-F360 HydrophobicContact CG-CE2 3.99Å; M339-F360 HydrophobicContact CG-CZ 4.31Å; M339-F360 HydrophobicContact SD-CE2 3.81Å; M339-F360 HydrophobicContact SD-CZ 4.22Å; V346-F360 HydrophobicContact CG1-CB 3.75Å; V346-F360 HydrophobicContact CG1-CD2 4.17Å; V346-F360 HydrophobicContact CG1-CG 4.32Å; V346-F360 HydrophobicContact CG2-CD2 4.07Å; L348-F360 CarbonylContact O-C 3.53Å; L348-F360 WeakPolarHBondContact O-CA 3.17Å; L348-F360 WeakPolarHBondContact O-CB 3.35Å; I349-F360 HydrophobicContact CG1-CB 4.32Å; F360-V362 HydrophobicContact CD2-CG1 3.89Å; F360-V362 HydrophobicContact CE2-CG1 3.93Å; F360-M374 HydrophobicContact CE1-CE 4.25Å; F360-M374 HydrophobicContact CZ-CE 4.24Å; F360-M374 HydrophobicContact CZ-CG 4.35Å; F360-M374 HydrophobicContact CZ-SD 4.16Å
361	C	96.9	Very high	91.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.2	-180	-63	0	0	0	0	111.4	M315 A316 V347 L348 I398	M315-C361 HydrophobicContact CE-CB 3.85Å; A316-C361 CarbonylContact O-C 3.53Å; A316-C361 VanDerWaalsContact O-CA 3.29Å; A316-C361 WeakPolarHBondContact O-CA 3.17Å; V347-C361 PolarHBondContact N-O 3.01Å; L348-C361 HydrophobicContact CB-CB 4.09Å; L348-C361 PolarHBondContact O-N 3.24Å; C361-I398 HydrophobicContact CB-CD1 4.05Å
362	V	96.9	Very high	91.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.8	172.4	-59.1	0	0	0	0	109.8	M315 A316 F318 I344 V346 F360 Q364 A370	M315-V362 WeakPolarHBondContact CA-O 3.18Å; M315-V362 VanDerWaalsContact CE-C 3.42Å; M315-V362 WeakPolarHBondContact CE-O 3.5Å; A316-V362 HydrophobicContact CB-CG2 4.31Å; A316-V362 PolarHBondContact N-O 3.32Å; A316-V362 PolarHBondContact O-N 2.83Å; F318-V362 HydrophobicContact CD2-CG2 3.87Å; F318-V362 HydrophobicContact CE2-CG2 3.55Å; I344-V362 HydrophobicContact CG2-CB 4.01Å; I344-V362 HydrophobicContact CG2-CG1 3.74Å; V346-V362 HydrophobicContact CG2-CG1 4.44Å; F360-V362 HydrophobicContact CD2-CG1 3.89Å; F360-V362 HydrophobicContact CE2-CG1 3.93Å; V362-Q364 PolarHBondContact O-N 3.23Å; V362-A370 HydrophobicContact CG2-CB 4.19Å
363	P	95.7	Very high	92.5	Very high	35 Å²	35	53.5 Å²	53.5	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	137.5	170.4	-24.7	34.8	0	0	0	111	S345 S365 D366	S345-P363 WeakPolarHBondContact O-CD 3.37Å; P363-S365 PolarHBondContact O-N 2.85Å; P363-S365 VanDerWaalsContact O-N 3.1Å; P363-D366 PolarHBondContact O-N 3.31Å
364	Q	96.3	Very high	93.4	Very high	45 Å²	45	47.3 Å²	47.3	21%	0.21	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-55.1	-32.8	179.8	-178.3	72.6	46.3	0	0	112.2	N314 M315 V362 D366 C367 E394	N314-Q364 HydrophobicContact CB-CB 4.02Å; N314-Q364 WeakPolarHBondContact O-CB 3.48Å; N314-Q364 PolarHBondContact O-N 2.88Å; M315-Q364 PolarHBondContact O-OE1 2.78Å; V362-Q364 PolarHBondContact O-N 3.23Å; Q364-D366 PolarHBondContact O-N 2.85Å; Q364-C367 WeakPolarHBondContact O-CB 3.49Å; Q364-C367 PolarHBondContact O-N 2.86Å; Q364-C367 VanDerWaalsContact O-N 3.15Å; Q364-E394 PolarHBondContact NE2-OE2 3.41Å
365	S	95.5	Very high	94.3	Very high	107 Å²	107	48.3 Å²	48.3	75%	0.748	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-61.5	-25	175.9	56.2	0	0	0	0	114	P363	P363-S365 PolarHBondContact O-N 2.85Å; P363-S365 VanDerWaalsContact O-N 3.1Å
366	D	96.5	Very high	95.2	Very high	25 Å²	25	48.8 Å²	48.8	13%	0.134	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-98.3	0.3	179.6	-70	-31.1	0	0	0	112.8	I344 P363 Q364 V368 R369 A370	I344-D366 HydrophobicContact CD1-CB 4.49Å; I344-D366 HydrophobicContact CG1-CB 4.35Å; I344-D366 HydrophobicContact CG2-CB 3.98Å; P363-D366 PolarHBondContact O-N 3.31Å; Q364-D366 PolarHBondContact O-N 2.85Å; D366-V368 PolarHBondContact O-N 3.25Å; D366-R369 PolarHBondContact O-N 2.87Å; D366-R369 VanDerWaalsContact O-N 3.08Å; D366-R369 IonicContact OD1-CZ 3.62Å; D366-R369 IonicContact OD1-NH1 3.93Å; D366-R369 PolarHBondContact OD1-NH1 2.93Å; D366-R369 IonicContact OD1-NH2 2.62Å; D366-R369 PolarHBondContact OD1-NH2 2.75Å; D366-R369 IonicContact OD2-NH2 3.79Å; D366-R369 PolarHBondContact OD2-NH2 2.87Å; D366-A370 WeakPolarHBondContact O-CB 3.46Å; D366-A370 PolarHBondContact O-N 3.32Å
367	C	96.5	Very high	95.7	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.034	24%	0.24	C	C	.	.	H	α-helix	trans	-52.6	-54.2	-173.7	-173.1	0	0	0	0	112.8	A316 F318 Q364 R369 A370 E371	A316-C367 HydrophobicContact CB-CB 4.06Å; F318-C367 WeakPolarHBondContact CZ-O 3.2Å; Q364-C367 WeakPolarHBondContact O-CB 3.49Å; Q364-C367 PolarHBondContact O-N 2.86Å; Q364-C367 VanDerWaalsContact O-N 3.15Å; C367-R369 VanDerWaalsContact C-N 3.29Å; C367-R369 PolarHBondContact O-N 3.12Å; C367-A370 PolarHBondContact O-N 2.92Å; C367-E371 WeakPolarHBondContact O-CB 3.29Å; C367-E371 PolarHBondContact O-N 3.36Å
368	V	96.7	Very high	95.9	Very high	118 Å²	118	46 Å²	46	72%	0.715	23%	0.231	S	C	*	.	H	α-helix	trans	-61.7	-37.6	-179.8	-180	0	0	0	0	111.8	D366 R372	D366-V368 PolarHBondContact O-N 3.25Å; V368-R372 WeakPolarHBondContact O-CB 3.34Å; V368-R372 PolarHBondContact O-N 3.3Å; V368-R372 VanDerWaalsContact O-N 3.15Å
369	R	96.8	Very high	95.9	Very high	113 Å²	113	52.4 Å²	52.4	43%	0.426	26%	0.257	S	S	.	.	H	α-helix	trans	-70.4	-39	179	-165.4	170.2	72.9	-113.5	0.4	111	A342 R343 I344 D366 C367 A373	A342-R369 PolarHBondContact O-NE 3.38Å; R343-R369 PolarHBondContact O-NH2 3.37Å; I344-R369 HydrophobicContact CD1-CB 4.03Å; I344-R369 HydrophobicContact CD1-CG 4.04Å; D366-R369 PolarHBondContact O-N 2.87Å; D366-R369 VanDerWaalsContact O-N 3.08Å; D366-R369 IonicContact OD1-CZ 3.62Å; D366-R369 IonicContact OD1-NH1 3.93Å; D366-R369 PolarHBondContact OD1-NH1 2.93Å; D366-R369 IonicContact OD1-NH2 2.62Å; D366-R369 PolarHBondContact OD1-NH2 2.75Å; D366-R369 IonicContact OD2-NH2 3.79Å; D366-R369 PolarHBondContact OD2-NH2 2.87Å; C367-R369 VanDerWaalsContact C-N 3.29Å; C367-R369 PolarHBondContact O-N 3.12Å; R369-A373 WeakPolarHBondContact O-CB 3.3Å; R369-A373 PolarHBondContact O-N 3.37Å; R369-A373 VanDerWaalsContact O-N 3.12Å
370	A	96.9	Very high	95.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-47.9	176.6	0	0	0	0	0	111.2	F318 M339 I344 V362 D366 C367 R372 A373 M374	F318-A370 HydrophobicContact CD2-CB 4.47Å; F318-A370 HydrophobicContact CE1-CB 4.36Å; F318-A370 HydrophobicContact CE2-CB 3.82Å; F318-A370 HydrophobicContact CZ-CB 3.77Å; M339-A370 HydrophobicContact CE-CB 4.3Å; M339-A370 HydrophobicContact SD-CB 3.93Å; I344-A370 VanDerWaalsContact CD1-CA 3.44Å; I344-A370 HydrophobicContact CD1-CB 3.73Å; V362-A370 HydrophobicContact CG2-CB 4.19Å; D366-A370 WeakPolarHBondContact O-CB 3.46Å; D366-A370 PolarHBondContact O-N 3.32Å; C367-A370 PolarHBondContact O-N 2.92Å; A370-R372 PolarHBondContact O-N 2.97Å; A370-A373 PolarHBondContact O-N 3.26Å; A370-M374 WeakPolarHBondContact O-CB 3.34Å; A370-M374 VanDerWaalsContact O-CG 3.26Å; A370-M374 WeakPolarHBondContact O-CG 3.17Å; A370-M374 PolarHBondContact O-N 3.32Å
371	E	97	Very high	95.7	Very high	65 Å²	65	58.3 Å²	58.3	30%	0.304	29%	0.286	S	S	.	.	H	α-helix	trans	-57.9	-49.4	179.3	-170.1	-178.9	178.9	0	0	111.4	F318 C367 A373 M374 Q375	F318-E371 HydrophobicContact CE1-CB 3.7Å; F318-E371 HydrophobicContact CE1-CG 4.22Å; F318-E371 HydrophobicContact CZ-CB 4.04Å; C367-E371 WeakPolarHBondContact O-CB 3.29Å; C367-E371 PolarHBondContact O-N 3.36Å; E371-A373 PolarHBondContact O-N 2.86Å; E371-M374 PolarHBondContact O-N 2.75Å; E371-Q375 HydrophobicContact CG-CG 4.43Å; E371-Q375 WeakPolarHBondContact O-CB 3.42Å; E371-Q375 WeakPolarHBondContact O-CG 3.46Å; E371-Q375 PolarHBondContact O-N 2.95Å; E371-Q375 PolarHBondContact OE1-NE2 3.08Å; E371-Q375 VanDerWaalsContact OE1-NE2 3.08Å
372	R	96.7	Very high	95.5	Very high	164 Å²	164	60.6 Å²	60.6	62%	0.619	30%	0.298	S	S	*	.	H	α-helix	trans	-58.6	-47.5	177.1	-179	177.9	173.9	175.7	0.3	112.2	V368 A370 M374 Q375 E376	V368-R372 WeakPolarHBondContact O-CB 3.34Å; V368-R372 PolarHBondContact O-N 3.3Å; V368-R372 VanDerWaalsContact O-N 3.15Å; A370-R372 PolarHBondContact O-N 2.97Å; R372-M374 VanDerWaalsContact C-N 3.27Å; R372-M374 PolarHBondContact O-N 3.38Å; R372-Q375 PolarHBondContact O-N 2.91Å; R372-E376 HydrophobicContact CG-CG 4.44Å; R372-E376 WeakPolarHBondContact CG-OE1 3.4Å; R372-E376 IonicContact CZ-OE1 2.84Å; R372-E376 IonicContact NE-OE1 3.96Å; R372-E376 PolarHBondContact NE-OE1 3.15Å; R372-E376 IonicContact NH2-OE1 2.73Å; R372-E376 PolarHBondContact NH2-OE1 3Å; R372-E376 WeakPolarHBondContact O-CB 3.36Å; R372-E376 WeakPolarHBondContact O-CG 3.4Å; R372-E376 PolarHBondContact O-N 3.01Å
373	A	96.8	Very high	95.3	Very high	17 Å²	17	67.3 Å²	67.3	14%	0.14	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-36.7	-179.9	0	0	0	0	0	112.2	M339 A342 R369 A370 E371 E377	M339-A373 HydrophobicContact CE-CB 3.88Å; A342-A373 HydrophobicContact CB-CB 4.03Å; R369-A373 WeakPolarHBondContact O-CB 3.3Å; R369-A373 PolarHBondContact O-N 3.37Å; R369-A373 VanDerWaalsContact O-N 3.12Å; A370-A373 PolarHBondContact O-N 3.26Å; E371-A373 PolarHBondContact O-N 2.86Å; A373-E377 WeakPolarHBondContact O-CB 3.22Å; A373-E377 PolarHBondContact O-N 3.22Å
374	M	95.8	Very high	95.1	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-72.5	-43.1	176.9	-69.3	-63	-67.4	0	0	112.4	V320 V335 A338 M339 F360 A370 E371 R372 E376 E377 F378 L390	V320-M374 HydrophobicContact CG2-CE 3.28Å; V335-M374 HydrophobicContact CB-CE 4.37Å; V335-M374 HydrophobicContact CG1-CE 3.95Å; V335-M374 HydrophobicContact CG1-SD 4.13Å; V335-M374 HydrophobicContact CG2-CE 4Å; A338-M374 HydrophobicContact CB-SD 4.39Å; M339-M374 HydrophobicContact CE-CG 3.57Å; M339-M374 HydrophobicContact CE-SD 3.69Å; F360-M374 HydrophobicContact CE1-CE 4.25Å; F360-M374 HydrophobicContact CZ-CE 4.24Å; F360-M374 HydrophobicContact CZ-CG 4.35Å; F360-M374 HydrophobicContact CZ-SD 4.16Å; A370-M374 WeakPolarHBondContact O-CB 3.34Å; A370-M374 VanDerWaalsContact O-CG 3.26Å; A370-M374 WeakPolarHBondContact O-CG 3.17Å; A370-M374 PolarHBondContact O-N 3.32Å; E371-M374 PolarHBondContact O-N 2.75Å; R372-M374 VanDerWaalsContact C-N 3.27Å; R372-M374 PolarHBondContact O-N 3.38Å; M374-E376 VanDerWaalsContact C-N 3.31Å; M374-E376 PolarHBondContact O-N 3.34Å; M374-E377 PolarHBondContact O-N 3.04Å; M374-F378 HydrophobicContact CE-CD2 3.71Å; M374-F378 HydrophobicContact CE-CE2 3.41Å; M374-F378 VanDerWaalsContact CE-CE2 3.41Å; M374-F378 WeakPolarHBondContact O-CD2 3.35Å; M374-F378 PolarHBondContact O-N 3.24Å; M374-F378 HydrophobicContact SD-CD2 4.39Å; M374-F378 HydrophobicContact SD-CE2 4.03Å; M374-L390 HydrophobicContact CB-CD1 3.59Å; M374-L390 HydrophobicContact CE-CD2 4.44Å
375	Q	95.4	Very high	94.7	Very high	90 Å²	90	72.3 Å²	72.3	42%	0.421	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-38.9	176.1	-73.5	176.6	-4.2	0	0	111.8	E371 R372 Y379 L390	E371-Q375 HydrophobicContact CG-CG 4.43Å; E371-Q375 WeakPolarHBondContact O-CB 3.42Å; E371-Q375 WeakPolarHBondContact O-CG 3.46Å; E371-Q375 PolarHBondContact O-N 2.95Å; E371-Q375 PolarHBondContact OE1-NE2 3.08Å; E371-Q375 VanDerWaalsContact OE1-NE2 3.08Å; R372-Q375 PolarHBondContact O-N 2.91Å; Q375-Y379 WeakPolarHBondContact O-CA 3.4Å; Q375-Y379 WeakPolarHBondContact O-CB 3.37Å; Q375-Y379 PolarHBondContact O-N 3.19Å; Q375-Y379 VanDerWaalsContact O-N 3.11Å; Q375-L390 HydrophobicContact CG-CD1 3.87Å
376	E	95.3	Very high	94.4	Very high	117 Å²	117	70.7 Å²	70.7	55%	0.547	34%	0.342	S	S	.	.	H	α-helix	trans	-68.5	-44.9	175.7	-72.7	174.7	-176.8	0	0	111.7	R372 M374	R372-E376 HydrophobicContact CG-CG 4.44Å; R372-E376 WeakPolarHBondContact CG-OE1 3.4Å; R372-E376 IonicContact CZ-OE1 2.84Å; R372-E376 IonicContact NE-OE1 3.96Å; R372-E376 PolarHBondContact NE-OE1 3.15Å; R372-E376 IonicContact NH2-OE1 2.73Å; R372-E376 PolarHBondContact NH2-OE1 3Å; R372-E376 WeakPolarHBondContact O-CB 3.36Å; R372-E376 WeakPolarHBondContact O-CG 3.4Å; R372-E376 PolarHBondContact O-N 3.01Å; M374-E376 VanDerWaalsContact C-N 3.31Å; M374-E376 PolarHBondContact O-N 3.34Å
377	E	94.8	Very high	94.2	Very high	47 Å²	47	69.7 Å²	69.7	22%	0.22	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-38.2	-179.6	177.3	63.7	-155	0	0	113.1	R334 A338 R341 A373 M374	R334-E377 HydrophobicContact CB-CG 4.36Å; R334-E377 IonicContact CZ-OE1 2.69Å; R334-E377 IonicContact NE-OE1 3.71Å; R334-E377 PolarHBondContact NE-OE1 3.13Å; R334-E377 PolarHBondContact NH2-O 2.96Å; R334-E377 IonicContact NH2-OE1 4Å; A338-E377 HydrophobicContact CB-CB 4.03Å; A338-E377 HydrophobicContact CB-CG 4.05Å; R341-E377 IonicContact CZ-OE2 2.73Å; R341-E377 IonicContact NH2-OE2 2.88Å; R341-E377 PolarHBondContact NH2-OE2 3.26Å; A373-E377 WeakPolarHBondContact O-CB 3.22Å; A373-E377 PolarHBondContact O-N 3.22Å; M374-E377 PolarHBondContact O-N 3.04Å
378	F	93.4	Very high	94.1	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	19.7	-174.5	-66.3	-71.5	0	0	0	113.6	M331 R334 V335 M374 L380 E381 L382 L387	M331-F378 HydrophobicContact SD-CD1 4.34Å; M331-F378 HydrophobicContact SD-CE1 3.61Å; R334-F378 HydrophobicContact CB-CE1 4.1Å; R334-F378 HydrophobicContact CB-CZ 3.74Å; V335-F378 HydrophobicContact CG2-CE2 3.84Å; V335-F378 HydrophobicContact CG2-CZ 3.67Å; M374-F378 HydrophobicContact CE-CD2 3.71Å; M374-F378 HydrophobicContact CE-CE2 3.41Å; M374-F378 VanDerWaalsContact CE-CE2 3.41Å; M374-F378 WeakPolarHBondContact O-CD2 3.35Å; M374-F378 PolarHBondContact O-N 3.24Å; M374-F378 HydrophobicContact SD-CD2 4.39Å; M374-F378 HydrophobicContact SD-CE2 4.03Å; F378-L380 VanDerWaalsContact C-N 3.29Å; F378-L380 PolarHBondContact O-N 3.18Å; F378-E381 WeakPolarHBondContact CA-OE2 3.43Å; F378-E381 PolarHBondContact O-N 3.47Å; F378-L382 HydrophobicContact CB-CD1 4.25Å; F378-L382 HydrophobicContact CB-CG 4.34Å; F378-L382 WeakPolarHBondContact O-CB 3.49Å; F378-L382 VanDerWaalsContact O-CG 3.28Å; F378-L382 WeakPolarHBondContact O-CG 3.44Å; F378-L382 PolarHBondContact O-N 2.98Å; F378-L387 HydrophobicContact CB-CD1 3.84Å; F378-L387 HydrophobicContact CD1-CD1 3.57Å; F378-L387 HydrophobicContact CE1-CD1 4.32Å; F378-L387 HydrophobicContact CG-CD1 3.78Å
379	Y	94.3	Very high	93.9	Very high	138 Å²	138	73.5 Å²	73.5	54%	0.541	36%	0.357	S	S	.	.	H	α-helix	trans	-53.2	-43.9	-176	174.8	-99.3	0	0	0	113	Q375 K383	Q375-Y379 WeakPolarHBondContact O-CA 3.4Å; Q375-Y379 WeakPolarHBondContact O-CB 3.37Å; Q375-Y379 PolarHBondContact O-N 3.19Å; Q375-Y379 VanDerWaalsContact O-N 3.11Å; Y379-K383 HydrophobicContact CE1-CD 4.28Å; Y379-K383 VanDerWaalsContact O-CB 3.28Å; Y379-K383 WeakPolarHBondContact O-CB 3.3Å; Y379-K383 PolarHBondContact O-N 3.18Å; Y379-K383 VanDerWaalsContact O-N 3.1Å
380	L	92.9	Very high	93.7	Very high	113 Å²	113	69.5 Å²	69.5	59%	0.592	34%	0.343	S	S	*	.	H	α-helix	trans	-70.2	-45.4	-178.6	-66.8	176.3	0	0	0	111.4	F378 L382 K383 E384	F378-L380 VanDerWaalsContact C-N 3.29Å; F378-L380 PolarHBondContact O-N 3.18Å; L380-L382 PolarHBondContact O-N 3.3Å; L380-K383 PolarHBondContact O-N 3.02Å; L380-E384 WeakPolarHBondContact O-CB 3.43Å; L380-E384 WeakPolarHBondContact O-CG 3.45Å; L380-E384 PolarHBondContact O-N 3.32Å
381	E	92.3	Very high	93.7	Very high	26 Å²	26	71.9 Å²	71.9	12%	0.121	36%	0.363	C	S	.	.	H	α-helix	trans	-65.8	-38.1	-179.5	-67.4	80.7	177.8	0	0	112.6	M331 R334 F378 G385 L386 L387	M331-E381 HydrophobicContact CE-CG 4.29Å; R334-E381 IonicContact CZ-OE1 3.66Å; R334-E381 VanDerWaalsContact CZ-OE1 3.26Å; R334-E381 IonicContact NH1-OE1 3.91Å; R334-E381 PolarHBondContact NH1-OE1 3.18Å; R334-E381 VanDerWaalsContact NH2-CD 3.34Å; R334-E381 IonicContact NH2-OE1 2.76Å; R334-E381 PolarHBondContact NH2-OE1 2.9Å; R334-E381 IonicContact NH2-OE2 3.78Å; R334-E381 PolarHBondContact NH2-OE2 3.11Å; R334-E381 VanDerWaalsContact NH2-OE2 3.13Å; F378-E381 WeakPolarHBondContact CA-OE2 3.43Å; F378-E381 PolarHBondContact O-N 3.47Å; E381-G385 PolarHBondContact O-N 3.23Å; E381-L386 HydrophobicContact CB-CB 4.09Å; E381-L386 HydrophobicContact CG-CB 4.47Å; E381-L386 HydrophobicContact CG-CD1 4.3Å; E381-L386 WeakPolarHBondContact O-CB 3.35Å; E381-L386 PolarHBondContact O-N 3.25Å; E381-L387 HydrophobicContact CB-CB 4.37Å; E381-L387 HydrophobicContact CB-CD1 3.75Å; E381-L387 HydrophobicContact CB-CG 3.84Å; E381-L387 HydrophobicContact CG-CD1 4.5Å; E381-L387 PolarHBondContact O-N 3.03Å; E381-L387 VanDerWaalsContact O-N 3.11Å
382	L	92.8	Very high	93.7	Very high	48 Å²	48	70.8 Å²	70.8	25%	0.251	36%	0.361	S	S	.	.	H	α-helix	trans	-65.2	-40.7	173.7	-71.2	167.4	0	0	0	111.2	F378 L380 G385 L387 E388 L390	F378-L382 HydrophobicContact CB-CD1 4.25Å; F378-L382 HydrophobicContact CB-CG 4.34Å; F378-L382 WeakPolarHBondContact O-CB 3.49Å; F378-L382 VanDerWaalsContact O-CG 3.28Å; F378-L382 WeakPolarHBondContact O-CG 3.44Å; F378-L382 PolarHBondContact O-N 2.98Å; L380-L382 PolarHBondContact O-N 3.3Å; L382-G385 PolarHBondContact O-N 3.42Å; L382-L387 HydrophobicContact CD2-CB 3.88Å; L382-L387 HydrophobicContact CG-CB 4.39Å; L382-E388 WeakPolarHBondContact CD2-O 3.32Å; L382-L390 HydrophobicContact CD1-CD1 4.42Å; L382-L390 HydrophobicContact CD1-CG 4.41Å; L382-L390 HydrophobicContact CD2-CG 4.44Å
383	K	92.4	Very high	93.7	Very high	140 Å²	140	65.8 Å²	65.8	61%	0.609	35%	0.349	S	S	*	.	H	α-helix	trans	-69.6	-39.5	-179.6	-174.3	180	178.8	-177	0	113	Y379 L380 G385	Y379-K383 HydrophobicContact CE1-CD 4.28Å; Y379-K383 VanDerWaalsContact O-CB 3.28Å; Y379-K383 WeakPolarHBondContact O-CB 3.3Å; Y379-K383 PolarHBondContact O-N 3.18Å; Y379-K383 VanDerWaalsContact O-N 3.1Å; L380-K383 PolarHBondContact O-N 3.02Å; K383-G385 PolarHBondContact O-N 3.39Å
384	E	91.7	Very high	93.7	Very high	139 Å²	139	70 Å²	70	65%	0.65	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	0.4	178.2	-63.4	-61.9	142.5	0	0	112.8	L380 L386	L380-E384 WeakPolarHBondContact O-CB 3.43Å; L380-E384 WeakPolarHBondContact O-CG 3.45Å; L380-E384 PolarHBondContact O-N 3.32Å; E384-L386 HydrophobicContact CB-CD1 4.4Å; E384-L386 HydrophobicContact CB-CG 4.17Å; E384-L386 PolarHBondContact O-N 3.12Å
385	G	89	Confident	93.7	Very high	47 Å²	47	78.2 Å²	78.2	49%	0.485	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	18.5	-178.3	0	0	0	0	0	113.9	E381 L382 K383 L387	E381-G385 PolarHBondContact O-N 3.23Å; L382-G385 PolarHBondContact O-N 3.42Å; K383-G385 PolarHBondContact O-N 3.39Å; G385-L387 VanDerWaalsContact C-N 3.33Å
386	L	89.2	Confident	93.9	Very high	72 Å²	72	74.2 Å²	74.2	38%	0.377	38%	0.378	S	S	.	.	S	Bend	trans	-72.4	-32.4	172.2	-66.3	176	0	0	0	111	G322 P323 G324 E381 E384	G322-L386 CarbonylContact C-O 3.57Å; P323-L386 VanDerWaalsContact CD-O 3.28Å; P323-L386 WeakPolarHBondContact CD-O 3.46Å; G324-L386 WeakPolarHBondContact CA-O 3.43Å; G324-L386 PolarHBondContact N-O 3.24Å; E381-L386 HydrophobicContact CB-CB 4.09Å; E381-L386 HydrophobicContact CG-CB 4.47Å; E381-L386 HydrophobicContact CG-CD1 4.3Å; E381-L386 WeakPolarHBondContact O-CB 3.35Å; E381-L386 PolarHBondContact O-N 3.25Å; E384-L386 HydrophobicContact CB-CD1 4.4Å; E384-L386 HydrophobicContact CB-CG 4.17Å; E384-L386 PolarHBondContact O-N 3.12Å
387	L	92	Very high	93.9	Very high	5 Å²	5	68.6 Å²	68.6	3%	0.026	35%	0.352	C	S	.	.	S	Bend	trans	-112.8	142.3	170.2	-67.3	176.5	0	0	0	110.1	V320 M325 F378 E381 L382 G385	V320-L387 HydrophobicContact CG1-CD1 3.98Å; V320-L387 HydrophobicContact CG1-CD2 4.03Å; M325-L387 HydrophobicContact CG-CD2 3.67Å; M325-L387 HydrophobicContact SD-CD2 3.83Å; F378-L387 HydrophobicContact CB-CD1 3.84Å; F378-L387 HydrophobicContact CD1-CD1 3.57Å; F378-L387 HydrophobicContact CE1-CD1 4.32Å; F378-L387 HydrophobicContact CG-CD1 3.78Å; E381-L387 HydrophobicContact CB-CB 4.37Å; E381-L387 HydrophobicContact CB-CD1 3.75Å; E381-L387 HydrophobicContact CB-CG 3.84Å; E381-L387 HydrophobicContact CG-CD1 4.5Å; E381-L387 PolarHBondContact O-N 3.03Å; E381-L387 VanDerWaalsContact O-N 3.11Å; L382-L387 HydrophobicContact CD2-CB 3.88Å; L382-L387 HydrophobicContact CG-CB 4.39Å; G385-L387 VanDerWaalsContact C-N 3.33Å
388	E	93	Very high	94	Very high	86 Å²	86	66.4 Å²	66.4	40%	0.402	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-67.3	158.3	165.5	-66.6	170.8	-165.6	0	0	109.6	S321 Y356 L382 L390	S321-E388 WeakPolarHBondContact O-CB 3.24Å; S321-E388 PolarHBondContact O-N 3.13Å; Y356-E388 PolarHBondContact OH-OE1 2.83Å; L382-E388 WeakPolarHBondContact CD2-O 3.32Å; E388-L390 PolarHBondContact O-N 3.11Å
389	P	93.1	Very high	94.1	Very high	117 Å²	117	66.4 Å²	66.4	76%	0.76	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-50.5	134	171.5	-25.8	34.8	0	0	0	111.1	A391	P389-A391 PolarHBondContact O-N 3.43Å; P389-A391 VanDerWaalsContact O-N 3.1Å
390	L	93.9	Very high	94.1	Very high	28 Å²	28	59.8 Å²	59.8	15%	0.147	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-56.1	118.6	179.3	-65.9	173.2	0	0	0	109.9	V320 M374 Q375 L382 E388	V320-L390 HydrophobicContact CB-CD2 4.42Å; V320-L390 HydrophobicContact CG1-CD2 4.35Å; V320-L390 HydrophobicContact CG2-CD2 3.88Å; M374-L390 HydrophobicContact CB-CD1 3.59Å; M374-L390 HydrophobicContact CE-CD2 4.44Å; Q375-L390 HydrophobicContact CG-CD1 3.87Å; L382-L390 HydrophobicContact CD1-CD1 4.42Å; L382-L390 HydrophobicContact CD1-CG 4.41Å; L382-L390 HydrophobicContact CD2-CG 4.44Å; E388-L390 PolarHBondContact O-N 3.11Å
391	A	95.3	Very high	94.2	Very high	50 Å²	50	54.5 Å²	54.5	41%	0.413	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119	177	0	0	0	0	0	109.2	F318 S319 P389	F318-A391 CarbonylContact C-O 3.51Å; F318-A391 WeakPolarHBondContact CA-O 3.41Å; S319-A391 PolarHBondContact N-O 2.97Å; S319-A391 PolarHBondContact O-N 2.99Å; P389-A391 PolarHBondContact O-N 3.43Å; P389-A391 VanDerWaalsContact O-N 3.1Å
392	V	96.9	Very high	94.2	Very high	42 Å²	42	53.2 Å²	53.2	26%	0.255	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.3	179	-171.7	0	0	0	0	108.6	M317 F318 E394	M317-V392 WeakPolarHBondContact O-CA 3.3Å; F318-V392 HydrophobicContact CD1-CG1 4.45Å; F318-V392 HydrophobicContact CD1-CG2 3.68Å; F318-V392 HydrophobicContact CE1-CB 4.34Å; F318-V392 HydrophobicContact CE1-CG1 3.95Å; F318-V392 HydrophobicContact CE1-CG2 3.43Å; F318-V392 VanDerWaalsContact CE1-CG2 3.43Å; F318-V392 HydrophobicContact CE2-CG1 4.19Å; F318-V392 HydrophobicContact CZ-CG1 3.8Å; F318-V392 HydrophobicContact CZ-CG2 4.15Å; V392-E394 HydrophobicContact CG1-CG 4.29Å
393	T	97.3	Very high	94.1	Very high	60 Å²	60	51 Å²	51	37%	0.368	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.9	174.7	-53.6	0	0	0	0	109	A316 M317 L396	A316-T393 CarbonylContact C-O 3.59Å; A316-T393 WeakPolarHBondContact CA-O 3.18Å; M317-T393 PolarHBondContact N-O 3.43Å; M317-T393 PolarHBondContact O-N 3.49Å; T393-L396 HydrophobicContact CG2-CD1 3.88Å; T393-L396 HydrophobicContact CG2-CD2 3.91Å; T393-L396 HydrophobicContact CG2-CG 4.11Å; T393-L396 WeakPolarHBondContact O-CD1 3.5Å
394	E	97.1	Very high	93.9	Very high	106 Å²	106	46.7 Å²	46.7	50%	0.495	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	170.6	-177.6	-64	-177.6	-129.2	0	0	112.4	Q364 V392 L396	Q364-E394 PolarHBondContact NE2-OE2 3.41Å; V392-E394 HydrophobicContact CG1-CG 4.29Å; E394-L396 PolarHBondContact O-N 3.46Å
395	R	96.6	Very high	93.6	Very high	171 Å²	171	40.5 Å²	40.5	65%	0.645	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	56.7	49.5	176.9	-56	-175.2	-65.6	176	-0.5	112.2	M315 N445	M315-R395 PolarHBondContact O-N 3.42Å; R395-N445 HydrophobicContact CB-CB 4.47Å; R395-N445 WeakPolarHBondContact O-CB 3.26Å; R395-N445 PolarHBondContact O-N 3.37Å
396	L	97.8	Very high	93.5	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	164.3	173.5	-58.3	176.6	0	0	0	110.9	N314 M315 M317 T393 E394 V428 V442 V443	N314-L396 PolarHBondContact N-O 3.06Å; M315-L396 HydrophobicContact CB-CB 4.41Å; M315-L396 PolarHBondContact N-O 2.95Å; M315-L396 WeakPolarHBondContact O-CB 3.41Å; M315-L396 PolarHBondContact O-N 2.91Å; M317-L396 HydrophobicContact CB-CD1 3.52Å; T393-L396 HydrophobicContact CG2-CD1 3.88Å; T393-L396 HydrophobicContact CG2-CD2 3.91Å; T393-L396 HydrophobicContact CG2-CG 4.11Å; T393-L396 WeakPolarHBondContact O-CD1 3.5Å; E394-L396 PolarHBondContact O-N 3.46Å; L396-V428 HydrophobicContact CD2-CG2 4.29Å; L396-V442 HydrophobicContact CB-CG1 3.86Å; L396-V442 HydrophobicContact CD1-CG1 3.72Å; L396-V442 HydrophobicContact CG-CG1 4.25Å; L396-V443 CarbonylContact C-O 3.53Å; L396-V443 VanDerWaalsContact CA-O 3.28Å; L396-V443 WeakPolarHBondContact CA-O 3.5Å
397	A	96.6	Very high	93.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.3	168.4	0	0	0	0	0	110.5	L312 V442 V443 N445 A448	L312-A397 CarbonylContact O-C 3.48Å; L312-A397 WeakPolarHBondContact O-CA 3.26Å; L312-A397 WeakPolarHBondContact O-CB 3.49Å; A397-V442 CarbonylContact O-C 3.59Å; A397-V442 WeakPolarHBondContact O-CA 3.35Å; A397-V443 HydrophobicContact CB-CG2 4.39Å; A397-V443 PolarHBondContact N-O 3.33Å; A397-V443 PolarHBondContact O-N 3.47Å; A397-N445 HydrophobicContact CB-CB 4.48Å; A397-A448 HydrophobicContact CB-CB 3.52Å
398	I	96.2	Very high	92.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.7	174	-55.9	170	0	0	0	107.8	F260 N311 L312 M315 V347 L348 C361 V441 V442	F260-I398 HydrophobicContact CD1-CG2 4.3Å; F260-I398 HydrophobicContact CE1-CG2 4.48Å; N311-I398 CarbonylContact C-O 3.56Å; N311-I398 WeakPolarHBondContact CA-O 3.44Å; L312-I398 HydrophobicContact CB-CB 4.29Å; L312-I398 PolarHBondContact N-O 3.36Å; L312-I398 PolarHBondContact O-N 2.87Å; M315-I398 HydrophobicContact CE-CD1 3.96Å; M315-I398 HydrophobicContact CG-CD1 4.18Å; M315-I398 HydrophobicContact CG-CG1 4.18Å; V347-I398 HydrophobicContact CB-CD1 4.42Å; V347-I398 HydrophobicContact CG1-CD1 3.8Å; L348-I398 HydrophobicContact CB-CD1 3.92Å; L348-I398 HydrophobicContact CD1-CD1 4.24Å; L348-I398 HydrophobicContact CD1-CG1 4.46Å; L348-I398 HydrophobicContact CD1-CG2 3.95Å; C361-I398 HydrophobicContact CB-CD1 4.05Å; I398-V441 CarbonylContact C-O 3.59Å; I398-V441 VanDerWaalsContact CA-O 3.26Å; I398-V441 WeakPolarHBondContact CA-O 3.42Å; I398-V442 HydrophobicContact CG1-CG2 4.31Å
399	I	95.7	Very high	91.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.2	170.4	-58.4	172.9	0	0	0	107.6	I309 S310 N311 F416 L420 S440 V441 V443 V452	I309-I399 HydrophobicContact CG2-CG2 3.99Å; S310-I399 WeakPolarHBondContact O-CA 3.28Å; N311-I399 HydrophobicContact CB-CG1 4.46Å; I399-F416 HydrophobicContact CB-CZ 4.46Å; I399-F416 HydrophobicContact CG2-CE2 4.09Å; I399-F416 HydrophobicContact CG2-CZ 4.02Å; I399-L420 HydrophobicContact CD1-CD2 4.36Å; I399-S440 CarbonylContact O-C 3.48Å; I399-S440 VanDerWaalsContact O-CA 3.3Å; I399-S440 WeakPolarHBondContact O-CA 3.4Å; I399-V441 HydrophobicContact CB-CG2 3.86Å; I399-V441 PolarHBondContact N-O 3.36Å; I399-V441 PolarHBondContact O-N 3.5Å; I399-V443 HydrophobicContact CD1-CG2 3.75Å; I399-V443 HydrophobicContact CG1-CG2 4.05Å; I399-V452 HydrophobicContact CG1-CG2 4.32Å; I399-V452 HydrophobicContact CG2-CG2 4.14Å
400	S	94.6	Very high	91.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.6	-178.4	-55.9	0	0	0	0	111	F260 I309 S310 I439 S440	F260-S400 VanDerWaalsContact CD1-OG 3.27Å; F260-S400 WeakPolarHBondContact CD1-OG 3.36Å; F260-S400 VanDerWaalsContact CG-OG 3.26Å; F260-S400 WeakPolarHBondContact CG-OG 3.36Å; I309-S400 CarbonylContact C-O 3.5Å; I309-S400 VanDerWaalsContact CA-O 3.3Å; I309-S400 WeakPolarHBondContact CA-O 3.47Å; S310-S400 PolarHBondContact N-O 3.33Å; S310-S400 PolarHBondContact O-N 2.8Å; S400-I439 WeakPolarHBondContact CA-O 3.17Å; S400-S440 WeakPolarHBondContact CB-OG 3.49Å; S400-S440 WeakPolarHBondContact OG-CB 3.37Å; S400-S440 PolarHBondContact OG-OG 3.25Å
401	V	94.4	Very high	90.6	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.2	170.2	-176.9	0	0	0	0	107.4	V306 I309 M406 F416 S438 I439 T455 L459	V306-V401 HydrophobicContact CB-CG1 4.37Å; V306-V401 HydrophobicContact CG1-CG1 3.42Å; V306-V401 VanDerWaalsContact CG1-CG1 3.42Å; V306-V401 HydrophobicContact CG2-CG1 3.99Å; I309-V401 HydrophobicContact CG1-CG2 4.4Å; V401-M406 HydrophobicContact CB-SD 4.41Å; V401-M406 HydrophobicContact CG1-SD 3.65Å; V401-F416 HydrophobicContact CB-CE1 4.48Å; V401-F416 HydrophobicContact CG2-CD1 3.71Å; V401-F416 HydrophobicContact CG2-CD2 3.8Å; V401-F416 HydrophobicContact CG2-CE1 3.66Å; V401-F416 HydrophobicContact CG2-CE2 3.75Å; V401-F416 HydrophobicContact CG2-CG 3.76Å; V401-F416 HydrophobicContact CG2-CZ 3.66Å; V401-S438 WeakPolarHBondContact O-CA 3.38Å; V401-S438 PolarHBondContact O-OG 3.36Å; V401-I439 PolarHBondContact N-O 2.76Å; V401-I439 PolarHBondContact O-N 3.46Å; V401-T455 HydrophobicContact CG2-CG2 3.85Å; V401-L459 HydrophobicContact CB-CD1 4.48Å; V401-L459 HydrophobicContact CG1-CD1 3.61Å; V401-L459 HydrophobicContact CG2-CD1 3.95Å
402	V	92.7	Very high	90.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.8	-175.7	-176.6	0	0	0	0	111.1	E253 E256 L257 K307 G308 R437	E253-V402 HydrophobicContact CB-CG1 4.28Å; E253-V402 HydrophobicContact CG-CG1 4.44Å; E256-V402 HydrophobicContact CB-CG1 3.77Å; E256-V402 HydrophobicContact CB-CG2 4.14Å; L257-V402 HydrophobicContact CD2-CB 3.81Å; L257-V402 HydrophobicContact CD2-CG2 3.72Å; L257-V402 HydrophobicContact CG-CB 3.81Å; L257-V402 HydrophobicContact CG-CG1 4.01Å; L257-V402 HydrophobicContact CG-CG2 3.95Å; K307-V402 PolarHBondContact N-O 2.98Å; G308-V402 PolarHBondContact N-O 3.02Å; G308-V402 PolarHBondContact O-N 3.3Å; V402-R437 CarbonylContact C-O 3.57Å; V402-R437 VanDerWaalsContact CA-O 3.29Å; V402-R437 WeakPolarHBondContact CA-O 3.05Å; V402-R437 HydrophobicContact CG1-CG 4.21Å
403	G	91.4	Very high	89.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.257	C	S	.	.			trans	176.2	136.4	172	0	0	0	0	0	112.7	E253 G405 M406 R437	E253-G403 WeakPolarHBondContact OE1-CA 3.29Å; G403-G405 VanDerWaalsContact C-N 3.29Å; G403-G405 PolarHBondContact O-N 2.88Å; G403-M406 WeakPolarHBondContact O-CB 3.46Å; G403-M406 WeakPolarHBondContact O-CG 3.48Å; G403-M406 PolarHBondContact O-N 3.24Å; G403-R437 PolarHBondContact N-O 2.97Å
404	D	88.2	Confident	88.9	Confident	50 Å²	50	53.5 Å²	53.5	27%	0.267	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-66.4	-31.6	176.9	-83.4	-43.5	0	0	0	112	S250 E253 M406 R407 R437	S250-D404 VanDerWaalsContact CB-OD2 3.32Å; S250-D404 WeakPolarHBondContact CB-OD2 3.1Å; S250-D404 PolarHBondContact OG-OD2 3.12Å; E253-D404 HydrophobicContact CG-CB 4.42Å; E253-D404 WeakPolarHBondContact CG-OD2 3.49Å; E253-D404 WeakPolarHBondContact OE1-CB 3.36Å; E253-D404 PolarHBondContact OE1-N 3.15Å; D404-M406 PolarHBondContact O-N 2.96Å; D404-R407 PolarHBondContact O-N 3.44Å; D404-R437 IonicContact OD1-CZ 2.66Å; D404-R437 IonicContact OD1-NE 3.71Å; D404-R437 PolarHBondContact OD1-NE 3.25Å; D404-R437 IonicContact OD1-NH2 3.53Å; D404-R437 PolarHBondContact OD1-NH2 3.44Å; D404-R437 IonicContact OD2-NE 3.08Å
405	G	85	Confident	88.3	Confident	10 Å²	10	53 Å²	53	10%	0.103	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-68.6	-12.8	178.2	0	0	0	0	0	114.5	P305 G403 R407 T408 L409	P305-G405 CarbonylContact O-C 3.59Å; P305-G405 WeakPolarHBondContact O-CA 3.39Å; P305-G405 PolarHBondContact O-N 3.43Å; G403-G405 VanDerWaalsContact C-N 3.29Å; G403-G405 PolarHBondContact O-N 2.88Å; G405-R407 PolarHBondContact O-N 2.88Å; G405-T408 PolarHBondContact O-N 2.75Å; G405-T408 PolarHBondContact O-OG1 2.88Å; G405-L409 PolarHBondContact O-N 3.19Å; G405-L409 VanDerWaalsContact O-N 3.15Å
406	M	87.1	Confident	88	Confident	11 Å²	11	44.9 Å²	44.9	5%	0.054	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-64.1	-29.4	176.1	-64.7	-163.1	-56.4	0	0	112.7	P305 V306 V401 G403 D404 T408 I412 E436 R437 I439	P305-M406 WeakPolarHBondContact O-CG 3.22Å; P305-M406 PolarHBondContact O-N 3.15Å; P305-M406 VanDerWaalsContact O-N 3.13Å; V306-M406 HydrophobicContact CG2-CG 3.82Å; V306-M406 HydrophobicContact CG2-SD 3.91Å; V401-M406 HydrophobicContact CB-SD 4.41Å; V401-M406 HydrophobicContact CG1-SD 3.65Å; G403-M406 WeakPolarHBondContact O-CB 3.46Å; G403-M406 WeakPolarHBondContact O-CG 3.48Å; G403-M406 PolarHBondContact O-N 3.24Å; D404-M406 PolarHBondContact O-N 2.96Å; M406-T408 VanDerWaalsContact C-N 3.28Å; M406-T408 PolarHBondContact O-N 2.88Å; M406-I412 HydrophobicContact CG-CB 4.49Å; M406-I412 HydrophobicContact CG-CG1 4.42Å; M406-I412 HydrophobicContact CG-CG2 3.96Å; M406-I412 HydrophobicContact SD-CG2 3.59Å; M406-I412 VanDerWaalsContact SD-CG2 3.59Å; M406-E436 WeakPolarHBondContact CB-O 3.49Å; M406-E436 WeakPolarHBondContact CE-O 3.47Å; M406-R437 WeakPolarHBondContact CE-O 3.39Å; M406-I439 HydrophobicContact CE-CG1 4.41Å
407	R	82.8	Confident	87.6	Confident	178 Å²	178	47.5 Å²	47.5	67%	0.672	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-63.8	-33.6	176.4	-175.1	178.9	177.9	-168.8	-0.3	112.6	D404 G405 E436	D404-R407 PolarHBondContact O-N 3.44Å; G405-R407 PolarHBondContact O-N 2.88Å; R407-E436 HydrophobicContact CB-CB 4.15Å; R407-E436 HydrophobicContact CG-CB 4.36Å
408	T	79.1	Confident	86.9	Confident	123 Å²	123	49.3 Å²	49.3	76%	0.755	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-27.5	-177.5	48.6	0	0	0	0	113.1	G405 M406	G405-T408 PolarHBondContact O-N 2.75Å; G405-T408 PolarHBondContact O-OG1 2.88Å; M406-T408 VanDerWaalsContact C-N 3.28Å; M406-T408 PolarHBondContact O-N 2.88Å
409	L	78.7	Confident	86.3	Confident	80 Å²	80	49.3 Å²	49.3	42%	0.419	26%	0.257	S	S	.	.	S	Bend	trans	-98.8	111.4	-174.7	-170.7	67	0	0	0	112.1	P305 G405 I412	P305-L409 HydrophobicContact CB-CB 4.18Å; P305-L409 HydrophobicContact CB-CD2 3.59Å; P305-L409 HydrophobicContact CG-CD2 3.5Å; P305-L409 VanDerWaalsContact CG-CD2 3.5Å; G405-L409 PolarHBondContact O-N 3.19Å; G405-L409 VanDerWaalsContact O-N 3.15Å; L409-I412 HydrophobicContact CB-CG1 4.33Å; L409-I412 HydrophobicContact CD2-CD1 3.74Å; L409-I412 HydrophobicContact CD2-CG1 4.06Å; L409-I412 HydrophobicContact CG-CD1 4.46Å; L409-I412 HydrophobicContact CG-CG1 4.31Å
410	R	79.4	Confident	86	Confident	244 Å²	244	49.3 Å²	49.3	92%	0.921	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	141.5	176.3	-63.3	-177.8	-179	-178.8	0.3	111.4
411	G	79.9	Confident	85.3	Confident	37 Å²	37	52.6 Å²	52.6	38%	0.381	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	1.7	171.8	0	0	0	0	0	115.7	A414 K415	G411-A414 WeakPolarHBondContact O-CB 3.2Å; G411-A414 PolarHBondContact O-N 3.08Å; G411-K415 WeakPolarHBondContact O-CG 3.37Å; G411-K415 PolarHBondContact O-N 2.88Å
412	I	85.4	Confident	84.2	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.036	30%	0.296	C	S	.	.	H	α-helix	trans	-60.1	-47.3	174.1	-67.9	-59.7	0	0	0	111.5	P305 V306 M406 L409 A414 K415 F416 L459	P305-I412 HydrophobicContact CG-CD1 4.28Å; V306-I412 HydrophobicContact CG2-CD1 4.12Å; V306-I412 HydrophobicContact CG2-CG1 4.49Å; V306-I412 HydrophobicContact CG2-CG2 3.91Å; M406-I412 HydrophobicContact CG-CB 4.49Å; M406-I412 HydrophobicContact CG-CG1 4.42Å; M406-I412 HydrophobicContact CG-CG2 3.96Å; M406-I412 HydrophobicContact SD-CG2 3.59Å; M406-I412 VanDerWaalsContact SD-CG2 3.59Å; L409-I412 HydrophobicContact CB-CG1 4.33Å; L409-I412 HydrophobicContact CD2-CD1 3.74Å; L409-I412 HydrophobicContact CD2-CG1 4.06Å; L409-I412 HydrophobicContact CG-CD1 4.46Å; L409-I412 HydrophobicContact CG-CG1 4.31Å; I412-A414 VanDerWaalsContact C-N 3.26Å; I412-A414 PolarHBondContact O-N 3.36Å; I412-K415 WeakPolarHBondContact O-CB 3.38Å; I412-K415 PolarHBondContact O-N 3.43Å; I412-K415 VanDerWaalsContact O-N 3.12Å; I412-F416 PolarHBondContact O-N 3.15Å; I412-L459 HydrophobicContact CD1-CD2 4.32Å; I412-L459 HydrophobicContact CG2-CD2 4.28Å
413	S	86.5	Confident	83.2	Confident	36 Å²	36	56.4 Å²	56.4	25%	0.252	30%	0.301	S	S	.	.	H	α-helix	trans	-59.9	-38.5	176.3	-30.1	0	0	0	0	111.6	F416 F417 I439	S413-F416 PolarHBondContact O-N 2.83Å; S413-F417 WeakPolarHBondContact O-CD2 3.39Å; S413-F417 VanDerWaalsContact O-CG 3.24Å; S413-F417 WeakPolarHBondContact O-CG 3.37Å; S413-F417 PolarHBondContact O-N 3.31Å; S413-I439 WeakPolarHBondContact OG-CD1 3.44Å
414	A	82.5	Confident	82.5	Confident	64 Å²	64	63.5 Å²	63.5	53%	0.529	34%	0.339	S	S	.	.	H	α-helix	trans	-64.3	-42.4	176.3	0	0	0	0	0	111.6	G411 I412 A418	G411-A414 WeakPolarHBondContact O-CB 3.2Å; G411-A414 PolarHBondContact O-N 3.08Å; I412-A414 VanDerWaalsContact C-N 3.26Å; I412-A414 PolarHBondContact O-N 3.36Å; A414-A418 WeakPolarHBondContact O-CB 3.32Å; A414-A418 PolarHBondContact O-N 3.24Å
415	K	82.8	Confident	82.4	Confident	95 Å²	95	61.5 Å²	61.5	41%	0.413	33%	0.328	S	S	.	.	H	α-helix	trans	-63.1	-43.2	173.7	-71	-177.7	-180	-174.5	0	111.8	G411 I412 A418 A419 M458 L459	G411-K415 WeakPolarHBondContact O-CG 3.37Å; G411-K415 PolarHBondContact O-N 2.88Å; I412-K415 WeakPolarHBondContact O-CB 3.38Å; I412-K415 PolarHBondContact O-N 3.43Å; I412-K415 VanDerWaalsContact O-N 3.12Å; K415-A418 PolarHBondContact O-N 2.84Å; K415-A419 WeakPolarHBondContact O-CB 3.43Å; K415-A419 PolarHBondContact O-N 2.84Å; K415-M458 HydrophobicContact CB-CE 4.48Å; K415-M458 HydrophobicContact CB-CG 4.19Å; K415-M458 HydrophobicContact CG-CE 4.26Å; K415-L459 HydrophobicContact CB-CD2 3.78Å; K415-L459 HydrophobicContact CD-CD2 4.35Å
416	F	90.7	Very high	82.7	Confident	1 Å²	1	66.7 Å²	66.7	0%	0.004	35%	0.353	C	S	.	.	H	α-helix	trans	-61.6	-52.8	178.3	179.4	-154.3	0	0	0	111.6	I399 V401 I412 S413 A418 A419 L420 I439 V441 T455	I399-F416 HydrophobicContact CB-CZ 4.46Å; I399-F416 HydrophobicContact CG2-CE2 4.09Å; I399-F416 HydrophobicContact CG2-CZ 4.02Å; V401-F416 HydrophobicContact CB-CE1 4.48Å; V401-F416 HydrophobicContact CG2-CD1 3.71Å; V401-F416 HydrophobicContact CG2-CD2 3.8Å; V401-F416 HydrophobicContact CG2-CE1 3.66Å; V401-F416 HydrophobicContact CG2-CE2 3.75Å; V401-F416 HydrophobicContact CG2-CG 3.76Å; V401-F416 HydrophobicContact CG2-CZ 3.66Å; I412-F416 PolarHBondContact O-N 3.15Å; S413-F416 PolarHBondContact O-N 2.83Å; F416-A418 PolarHBondContact O-N 2.88Å; F416-A419 WeakPolarHBondContact O-CB 3.16Å; F416-A419 PolarHBondContact O-N 2.83Å; F416-L420 HydrophobicContact CD2-CD1 4.06Å; F416-L420 HydrophobicContact CD2-CG 4.28Å; F416-L420 HydrophobicContact CE2-CD1 3.71Å; F416-L420 HydrophobicContact CE2-CD2 4.4Å; F416-L420 HydrophobicContact CE2-CG 4.13Å; F416-L420 HydrophobicContact CZ-CD1 4.14Å; F416-L420 PolarHBondContact O-N 3.1Å; F416-I439 HydrophobicContact CD1-CB 4.39Å; F416-I439 HydrophobicContact CD1-CG2 4.02Å; F416-I439 HydrophobicContact CE1-CB 4.44Å; F416-I439 HydrophobicContact CE1-CG2 4.08Å; F416-V441 HydrophobicContact CD1-CG1 4.49Å; F416-V441 HydrophobicContact CE1-CG1 3.71Å; F416-V441 HydrophobicContact CE1-CG2 4.25Å; F416-V441 HydrophobicContact CE2-CG2 4.34Å; F416-V441 HydrophobicContact CZ-CB 4.38Å; F416-V441 HydrophobicContact CZ-CG1 3.93Å; F416-V441 HydrophobicContact CZ-CG2 3.62Å; F416-T455 HydrophobicContact CD2-CG2 3.36Å; F416-T455 HydrophobicContact CE2-CG2 3.66Å; F416-T455 WeakPolarHBondContact CE2-OG1 3.26Å; F416-T455 HydrophobicContact CG-CG2 4.32Å
417	F	90.8	Very high	83.1	Confident	60 Å²	60	68.3 Å²	68.3	26%	0.263	36%	0.362	S	S	.	.	H	α-helix	trans	-67.6	-35.4	178.9	-57	-36.6	0	0	0	112.5	S413 A419 L420 A421 I427 I430 I439 V441	S413-F417 WeakPolarHBondContact O-CD2 3.39Å; S413-F417 VanDerWaalsContact O-CG 3.24Å; S413-F417 WeakPolarHBondContact O-CG 3.37Å; S413-F417 PolarHBondContact O-N 3.31Å; F417-A419 VanDerWaalsContact C-N 3.3Å; F417-A419 PolarHBondContact O-N 2.88Å; F417-L420 PolarHBondContact O-N 2.87Å; F417-A421 VanDerWaalsContact O-CB 3.3Å; F417-A421 WeakPolarHBondContact O-CB 3.46Å; F417-A421 PolarHBondContact O-N 3.29Å; F417-I427 HydrophobicContact CB-CD1 4.45Å; F417-I427 HydrophobicContact CD1-CD1 3.69Å; F417-I427 HydrophobicContact CE1-CD1 4.38Å; F417-I427 HydrophobicContact CG-CD1 4.35Å; F417-I430 HydrophobicContact CE1-CD1 4.09Å; F417-I430 HydrophobicContact CE1-CG1 4.41Å; F417-I430 HydrophobicContact CE1-CG2 4.29Å; F417-I430 HydrophobicContact CZ-CD1 3.96Å; F417-I430 HydrophobicContact CZ-CG2 3.89Å; F417-I439 HydrophobicContact CE1-CG2 4.39Å; F417-I439 HydrophobicContact CZ-CG2 4.15Å; F417-V441 HydrophobicContact CD1-CG1 4.14Å; F417-V441 HydrophobicContact CE1-CG1 3.6Å
418	A	81.9	Confident	83.7	Confident	38 Å²	38	62.5 Å²	62.5	31%	0.314	35%	0.346	S	S	.	.	H	α-helix	trans	-63.8	-36.5	173.4	0	0	0	0	0	111.9	A414 K415 F416 R422	A414-A418 WeakPolarHBondContact O-CB 3.32Å; A414-A418 PolarHBondContact O-N 3.24Å; K415-A418 PolarHBondContact O-N 2.84Å; F416-A418 PolarHBondContact O-N 2.88Å; A418-R422 VanDerWaalsContact O-CB 3.26Å; A418-R422 WeakPolarHBondContact O-CB 3.48Å; A418-R422 WeakPolarHBondContact O-CG 3.07Å; A418-R422 PolarHBondContact O-N 2.78Å
419	A	83	Confident	84.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-45.7	175.4	0	0	0	0	0	111.4	K415 F416 F417 R422 A423 V454 M458	K415-A419 WeakPolarHBondContact O-CB 3.43Å; K415-A419 PolarHBondContact O-N 2.84Å; F416-A419 WeakPolarHBondContact O-CB 3.16Å; F416-A419 PolarHBondContact O-N 2.83Å; F417-A419 VanDerWaalsContact C-N 3.3Å; F417-A419 PolarHBondContact O-N 2.88Å; A419-R422 PolarHBondContact O-N 2.89Å; A419-A423 PolarHBondContact O-N 3.37Å; A419-A423 VanDerWaalsContact O-N 3.16Å; A419-V454 HydrophobicContact CB-CG2 4.3Å; A419-M458 HydrophobicContact CB-CB 3.76Å; A419-M458 HydrophobicContact CB-CG 4.07Å
420	L	89.4	Confident	85.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.5	-44.9	177.7	-62	172.4	0	0	0	112	I399 F416 F417 R422 A423 N424 I425 I427 V441	I399-L420 HydrophobicContact CD1-CD2 4.36Å; F416-L420 HydrophobicContact CD2-CD1 4.06Å; F416-L420 HydrophobicContact CD2-CG 4.28Å; F416-L420 HydrophobicContact CE2-CD1 3.71Å; F416-L420 HydrophobicContact CE2-CD2 4.4Å; F416-L420 HydrophobicContact CE2-CG 4.13Å; F416-L420 HydrophobicContact CZ-CD1 4.14Å; F416-L420 PolarHBondContact O-N 3.1Å; F417-L420 PolarHBondContact O-N 2.87Å; L420-R422 VanDerWaalsContact C-N 3.33Å; L420-R422 PolarHBondContact O-N 3.42Å; L420-A423 CarbonylContact O-C 3.57Å; L420-A423 PolarHBondContact O-N 2.83Å; L420-A423 VanDerWaalsContact O-N 3.15Å; L420-N424 PolarHBondContact O-N 2.84Å; L420-I425 HydrophobicContact CB-CB 4.39Å; L420-I425 HydrophobicContact CD2-CD1 4.15Å; L420-I425 HydrophobicContact CD2-CG2 4.47Å; L420-I425 PolarHBondContact O-N 2.83Å; L420-I427 HydrophobicContact CB-CD1 4.37Å; L420-I427 HydrophobicContact CB-CG1 4.5Å; L420-I427 HydrophobicContact CD1-CD1 3.79Å; L420-I427 HydrophobicContact CD1-CG1 3.96Å; L420-V441 HydrophobicContact CD1-CB 4.36Å; L420-V441 HydrophobicContact CD1-CG1 4.15Å; L420-V441 HydrophobicContact CD1-CG2 3.71Å
421	A	80.4	Confident	85.7	Confident	70 Å²	70	46.4 Å²	46.4	58%	0.579	28%	0.278	S	S	*	.	H	α-helix	trans	-62	-39.7	176.8	0	0	0	0	0	112.1	F417 A423 N424	F417-A421 VanDerWaalsContact O-CB 3.3Å; F417-A421 WeakPolarHBondContact O-CB 3.46Å; F417-A421 PolarHBondContact O-N 3.29Å; A421-A423 VanDerWaalsContact C-N 3.28Å; A421-A423 PolarHBondContact O-N 2.87Å; A421-N424 WeakPolarHBondContact O-CA 3.36Å; A421-N424 PolarHBondContact O-N 3.19Å
422	R	70.1	Confident	86.3	Confident	68 Å²	68	49 Å²	49	26%	0.257	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-36.8	174.5	-82.9	175.5	167.9	-176.4	-5.4	112.4	A418 A419 L420 N424	A418-R422 VanDerWaalsContact O-CB 3.26Å; A418-R422 WeakPolarHBondContact O-CB 3.48Å; A418-R422 WeakPolarHBondContact O-CG 3.07Å; A418-R422 PolarHBondContact O-N 2.78Å; A419-R422 PolarHBondContact O-N 2.89Å; L420-R422 VanDerWaalsContact C-N 3.33Å; L420-R422 PolarHBondContact O-N 3.42Å; R422-N424 PolarHBondContact O-N 3.48Å
423	A	72.8	Confident	86.1	Confident	12 Å²	12	50.7 Å²	50.7	10%	0.099	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	4.2	174.7	0	0	0	0	0	113.7	A419 L420 A421 I425 T450 V454	A419-A423 PolarHBondContact O-N 3.37Å; A419-A423 VanDerWaalsContact O-N 3.16Å; L420-A423 CarbonylContact O-C 3.57Å; L420-A423 PolarHBondContact O-N 2.83Å; L420-A423 VanDerWaalsContact O-N 3.15Å; A421-A423 VanDerWaalsContact C-N 3.28Å; A421-A423 PolarHBondContact O-N 2.87Å; A423-I425 HydrophobicContact CB-CD1 3.74Å; A423-I425 HydrophobicContact CB-CG1 3.81Å; A423-I425 PolarHBondContact O-N 2.86Å; A423-T450 HydrophobicContact CB-CG2 4.34Å; A423-V454 HydrophobicContact CB-CB 4.44Å; A423-V454 HydrophobicContact CB-CG1 4.03Å; A423-V454 HydrophobicContact CB-CG2 3.94Å
424	N	76.2	Confident	86	Confident	150 Å²	150	55 Å²	55	80%	0.802	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	31.4	-174.1	-163.7	48.3	0	0	0	113.4	L420 A421 R422	L420-N424 PolarHBondContact O-N 2.84Å; A421-N424 WeakPolarHBondContact O-CA 3.36Å; A421-N424 PolarHBondContact O-N 3.19Å; R422-N424 PolarHBondContact O-N 3.48Å
425	I	86.1	Confident	86.1	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.036	32%	0.32	C	S	.	.			trans	-88	118.5	178.2	-61.1	172.9	0	0	0	108.2	L420 A423 V443 D447 T450 G451	L420-I425 HydrophobicContact CB-CB 4.39Å; L420-I425 HydrophobicContact CD2-CD1 4.15Å; L420-I425 HydrophobicContact CD2-CG2 4.47Å; L420-I425 PolarHBondContact O-N 2.83Å; A423-I425 HydrophobicContact CB-CD1 3.74Å; A423-I425 HydrophobicContact CB-CG1 3.81Å; A423-I425 PolarHBondContact O-N 2.86Å; I425-V443 HydrophobicContact CG2-CB 3.88Å; I425-V443 HydrophobicContact CG2-CG1 3.59Å; I425-D447 HydrophobicContact CD1-CB 4.15Å; I425-D447 HydrophobicContact CG1-CB 4.03Å; I425-D447 HydrophobicContact CG2-CB 3.94Å; I425-T450 HydrophobicContact CD1-CG2 4.03Å; I425-G451 VanDerWaalsContact CD1-CA 3.49Å
426	N	90.3	Very high	86.3	Confident	119 Å²	119	53.4 Å²	53.4	64%	0.636	32%	0.318	S	S	*	.			trans	-74.9	131.3	175.9	-176.1	59	0	0	0	110.9
427	I	96	Very high	86.2	Confident	45 Å²	45	55 Å²	55	23%	0.231	32%	0.324	C	S	.	.			trans	-91.8	116	175.9	-59.6	170.4	0	0	0	108.4	F417 L420 A429 I430 V441	F417-I427 HydrophobicContact CB-CD1 4.45Å; F417-I427 HydrophobicContact CD1-CD1 3.69Å; F417-I427 HydrophobicContact CE1-CD1 4.38Å; F417-I427 HydrophobicContact CG-CD1 4.35Å; L420-I427 HydrophobicContact CB-CD1 4.37Å; L420-I427 HydrophobicContact CB-CG1 4.5Å; L420-I427 HydrophobicContact CD1-CD1 3.79Å; L420-I427 HydrophobicContact CD1-CG1 3.96Å; I427-A429 WeakPolarHBondContact CG2-O 3.35Å; I427-I430 HydrophobicContact CG2-CD1 4.1Å; I427-I430 HydrophobicContact CG2-CG1 3.53Å; I427-V441 HydrophobicContact CD1-CG1 4.35Å; I427-V441 HydrophobicContact CG2-CB 4.02Å; I427-V441 HydrophobicContact CG2-CG1 4.1Å
428	V	94.7	Very high	86.3	Confident	57 Å²	57	52.6 Å²	52.6	35%	0.345	31%	0.314	S	S	.	.			trans	-79.8	-41.8	-179.7	179	0	0	0	0	111.2	M317 L396 V442	M317-V428 HydrophobicContact CE-CG1 3.37Å; M317-V428 HydrophobicContact SD-CG1 4.2Å; L396-V428 HydrophobicContact CD2-CG2 4.29Å; V428-V442 HydrophobicContact CB-CB 4.29Å; V428-V442 HydrophobicContact CB-CG1 4.31Å; V428-V442 WeakPolarHBondContact CB-O 3.36Å; V428-V442 PolarHBondContact N-O 3.47Å
429	A	94.5	Very high	86.9	Confident	11 Å²	11	50.9 Å²	50.9	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	158	178.5	0	0	0	0	0	111	M317 T350 I427 V441 V442	M317-A429 HydrophobicContact SD-CB 3.92Å; T350-A429 HydrophobicContact CG2-CB 4.08Å; I427-A429 WeakPolarHBondContact CG2-O 3.35Å; A429-V441 CarbonylContact O-C 3.5Å; A429-V441 WeakPolarHBondContact O-CA 3.39Å; A429-V442 HydrophobicContact CB-CB 3.99Å; A429-V442 HydrophobicContact CB-CG2 3.79Å; A429-V442 PolarHBondContact O-N 2.99Å
430	I	94.5	Very high	87.4	Confident	74 Å²	74	51 Å²	51	38%	0.379	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.9	178.7	-56.3	172.4	0	0	0	108.1	T350 F417 I427 S440 V441	T350-I430 PolarHBondContact OG1-O 3.46Å; F417-I430 HydrophobicContact CE1-CD1 4.09Å; F417-I430 HydrophobicContact CE1-CG1 4.41Å; F417-I430 HydrophobicContact CE1-CG2 4.29Å; F417-I430 HydrophobicContact CZ-CD1 3.96Å; F417-I430 HydrophobicContact CZ-CG2 3.89Å; I427-I430 HydrophobicContact CG2-CD1 4.1Å; I427-I430 HydrophobicContact CG2-CG1 3.53Å; I430-S440 WeakPolarHBondContact CA-O 3.43Å; I430-V441 HydrophobicContact CG1-CG1 4.34Å
431	A	92.1	Very high	87.8	Confident	24 Å²	24	51 Å²	51	20%	0.198	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.1	170.4	0	0	0	0	0	110.4	L348 S440	L348-A431 HydrophobicContact CD1-CB 3.79Å; L348-A431 HydrophobicContact CD2-CB 4.06Å; L348-A431 HydrophobicContact CG-CB 3.78Å; A431-S440 PolarHBondContact N-O 3.48Å; A431-S440 PolarHBondContact O-N 2.91Å
432	Q	90.9	Very high	88.6	Confident	91 Å²	91	47.7 Å²	47.7	43%	0.425	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	126.9	173.5	175.7	172.6	4.9	0	0	108.6	I439	Q432-I439 HydrophobicContact CB-CG1 4.33Å; Q432-I439 HydrophobicContact CG-CG1 3.92Å
433	G	82.9	Confident	89.8	Confident	43 Å²	43	44.5 Å²	44.5	44%	0.443	26%	0.262	S	S	.	.			trans	-77.8	161.3	175.7	0	0	0	0	0	112.6	S435 E436	G433-S435 PolarHBondContact O-N 3.47Å; G433-S435 VanDerWaalsContact O-N 3.14Å; G433-E436 PolarHBondContact O-N 3.08Å
434	S	82.6	Confident	91	Very high	127 Å²	127	47.1 Å²	47.1	89%	0.888	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.5	178.7	63.4	0	0	0	0	114.5	E436	S434-E436 PolarHBondContact O-N 3.19Å
435	S	84.9	Confident	91.9	Very high	44 Å²	44	41.5 Å²	41.5	31%	0.308	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.9	171.9	59.5	0	0	0	0	112.6	G433 R437	G433-S435 PolarHBondContact O-N 3.47Å; G433-S435 VanDerWaalsContact O-N 3.14Å; S435-R437 PolarHBondContact O-N 3.18Å; S435-R437 PolarHBondContact OG-N 2.66Å
436	E	87.1	Confident	92.2	Very high	80 Å²	80	46.9 Å²	46.9	37%	0.374	27%	0.273	S	S	.	.			trans	56	11.4	-172.9	-57.4	173.8	-152.3	0	0	114	M406 R407 G433 S434	M406-E436 WeakPolarHBondContact CB-O 3.49Å; M406-E436 WeakPolarHBondContact CE-O 3.47Å; R407-E436 HydrophobicContact CB-CB 4.15Å; R407-E436 HydrophobicContact CG-CB 4.36Å; G433-E436 PolarHBondContact O-N 3.08Å; S434-E436 PolarHBondContact O-N 3.19Å
437	R	89.7	Confident	92.3	Very high	34 Å²	34	43.6 Å²	43.6	13%	0.128	26%	0.255	C	S	.	.	S	Bend	trans	-76.4	-25.5	179.7	177.7	-178.2	-59	105.8	21.5	113	E253 E256 V402 G403 D404 M406 S435	E253-R437 HydrophobicContact CG-CG 4.48Å; E256-R437 HydrophobicContact CG-CG 4.31Å; V402-R437 CarbonylContact C-O 3.57Å; V402-R437 VanDerWaalsContact CA-O 3.29Å; V402-R437 WeakPolarHBondContact CA-O 3.05Å; V402-R437 HydrophobicContact CG1-CG 4.21Å; G403-R437 PolarHBondContact N-O 2.97Å; D404-R437 IonicContact OD1-CZ 2.66Å; D404-R437 IonicContact OD1-NE 3.71Å; D404-R437 PolarHBondContact OD1-NE 3.25Å; D404-R437 IonicContact OD1-NH2 3.53Å; D404-R437 PolarHBondContact OD1-NH2 3.44Å; D404-R437 IonicContact OD2-NE 3.08Å; M406-R437 WeakPolarHBondContact CE-O 3.39Å; S435-R437 PolarHBondContact O-N 3.18Å; S435-R437 PolarHBondContact OG-N 2.66Å
438	S	91.8	Very high	92.1	Very high	10 Å²	10	41.5 Å²	41.5	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	139.8	178.4	-170.1	0	0	0	0	111.9	V401	V401-S438 WeakPolarHBondContact O-CA 3.38Å; V401-S438 PolarHBondContact O-OG 3.36Å
439	I	94.1	Very high	91.9	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.2	171.1	-52.9	-178.5	0	0	0	106.8	S400 V401 M406 S413 F416 F417 Q432	S400-I439 WeakPolarHBondContact CA-O 3.17Å; V401-I439 PolarHBondContact N-O 2.76Å; V401-I439 PolarHBondContact O-N 3.46Å; M406-I439 HydrophobicContact CE-CG1 4.41Å; S413-I439 WeakPolarHBondContact OG-CD1 3.44Å; F416-I439 HydrophobicContact CD1-CB 4.39Å; F416-I439 HydrophobicContact CD1-CG2 4.02Å; F416-I439 HydrophobicContact CE1-CB 4.44Å; F416-I439 HydrophobicContact CE1-CG2 4.08Å; F417-I439 HydrophobicContact CE1-CG2 4.39Å; F417-I439 HydrophobicContact CZ-CG2 4.15Å; Q432-I439 HydrophobicContact CB-CG1 4.33Å; Q432-I439 HydrophobicContact CG-CG1 3.92Å
440	S	94.8	Very high	91.4	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.028	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.5	-178.8	-55.4	0	0	0	0	110.4	I399 S400 I430 A431	I399-S440 CarbonylContact O-C 3.48Å; I399-S440 VanDerWaalsContact O-CA 3.3Å; I399-S440 WeakPolarHBondContact O-CA 3.4Å; S400-S440 WeakPolarHBondContact CB-OG 3.49Å; S400-S440 WeakPolarHBondContact OG-CB 3.37Å; S400-S440 PolarHBondContact OG-OG 3.25Å; I430-S440 WeakPolarHBondContact CA-O 3.43Å; A431-S440 PolarHBondContact N-O 3.48Å; A431-S440 PolarHBondContact O-N 2.91Å
441	V	96.6	Very high	91.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.9	171.5	-61	0	0	0	0	109.9	I398 I399 F416 F417 L420 I427 A429 I430 V443	I398-V441 CarbonylContact C-O 3.59Å; I398-V441 VanDerWaalsContact CA-O 3.26Å; I398-V441 WeakPolarHBondContact CA-O 3.42Å; I399-V441 HydrophobicContact CB-CG2 3.86Å; I399-V441 PolarHBondContact N-O 3.36Å; I399-V441 PolarHBondContact O-N 3.5Å; F416-V441 HydrophobicContact CD1-CG1 4.49Å; F416-V441 HydrophobicContact CE1-CG1 3.71Å; F416-V441 HydrophobicContact CE1-CG2 4.25Å; F416-V441 HydrophobicContact CE2-CG2 4.34Å; F416-V441 HydrophobicContact CZ-CB 4.38Å; F416-V441 HydrophobicContact CZ-CG1 3.93Å; F416-V441 HydrophobicContact CZ-CG2 3.62Å; F417-V441 HydrophobicContact CD1-CG1 4.14Å; F417-V441 HydrophobicContact CE1-CG1 3.6Å; L420-V441 HydrophobicContact CD1-CB 4.36Å; L420-V441 HydrophobicContact CD1-CG1 4.15Å; L420-V441 HydrophobicContact CD1-CG2 3.71Å; I427-V441 HydrophobicContact CD1-CG1 4.35Å; I427-V441 HydrophobicContact CG2-CB 4.02Å; I427-V441 HydrophobicContact CG2-CG1 4.1Å; A429-V441 CarbonylContact O-C 3.5Å; A429-V441 WeakPolarHBondContact O-CA 3.39Å; I430-V441 HydrophobicContact CG1-CG1 4.34Å; V441-V443 HydrophobicContact CG2-CG1 4.02Å
442	V	97.2	Very high	91.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.5	171.3	-172.2	0	0	0	0	108.2	L348 L396 A397 I398 V428 A429	L348-V442 HydrophobicContact CD1-CG2 4.05Å; L348-V442 HydrophobicContact CD2-CG2 4.14Å; L396-V442 HydrophobicContact CB-CG1 3.86Å; L396-V442 HydrophobicContact CD1-CG1 3.72Å; L396-V442 HydrophobicContact CG-CG1 4.25Å; A397-V442 CarbonylContact O-C 3.59Å; A397-V442 WeakPolarHBondContact O-CA 3.35Å; I398-V442 HydrophobicContact CG1-CG2 4.31Å; V428-V442 HydrophobicContact CB-CB 4.29Å; V428-V442 HydrophobicContact CB-CG1 4.31Å; V428-V442 WeakPolarHBondContact CB-O 3.36Å; V428-V442 PolarHBondContact N-O 3.47Å; A429-V442 HydrophobicContact CB-CB 3.99Å; A429-V442 HydrophobicContact CB-CG2 3.79Å; A429-V442 PolarHBondContact O-N 2.99Å
443	V	97.2	Very high	90.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	170.7	-178.8	-62.6	0	0	0	0	109.9	L396 A397 I399 I425 V441	L396-V443 CarbonylContact C-O 3.53Å; L396-V443 VanDerWaalsContact CA-O 3.28Å; L396-V443 WeakPolarHBondContact CA-O 3.5Å; A397-V443 HydrophobicContact CB-CG2 4.39Å; A397-V443 PolarHBondContact N-O 3.33Å; A397-V443 PolarHBondContact O-N 3.47Å; I399-V443 HydrophobicContact CD1-CG2 3.75Å; I399-V443 HydrophobicContact CG1-CG2 4.05Å; I425-V443 HydrophobicContact CG2-CB 3.88Å; I425-V443 HydrophobicContact CG2-CG1 3.59Å; V441-V443 HydrophobicContact CG2-CG1 4.02Å
444	N	96.8	Very high	90.8	Very high	67 Å²	67	34.7 Å²	34.7	36%	0.358	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	138.8	169.1	-171.8	-35.7	0	0	0	109.6	D446 D447	N444-D446 PolarHBondContact O-N 2.92Å; N444-D446 PolarHBondContact OD1-N 3.33Å; N444-D447 PolarHBondContact O-N 3.07Å
445	N	95.7	Very high	91.1	Very high	33 Å²	33	28.7 Å²	28.7	18%	0.176	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-57.8	-33.3	180	-173.8	90.1	0	0	0	112.9	N313 N314 R395 A397 D447 A448	N313-N445 WeakPolarHBondContact CA-OD1 3.2Å; N313-N445 WeakPolarHBondContact CB-OD1 3.3Å; N314-N445 PolarHBondContact N-OD1 2.88Å; R395-N445 HydrophobicContact CB-CB 4.47Å; R395-N445 WeakPolarHBondContact O-CB 3.26Å; R395-N445 PolarHBondContact O-N 3.37Å; A397-N445 HydrophobicContact CB-CB 4.48Å; N445-D447 PolarHBondContact O-N 3.06Å; N445-A448 WeakPolarHBondContact O-CB 3.28Å; N445-A448 PolarHBondContact O-N 3.41Å
446	D	92.5	Very high	91.2	Very high	119 Å²	119	26.7 Å²	26.7	64%	0.636	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	-66.7	-25.8	178.9	-63.4	-22.5	0	0	0	112.2	N444	N444-D446 PolarHBondContact O-N 2.92Å; N444-D446 PolarHBondContact OD1-N 3.33Å
447	D	91.3	Very high	90.8	Very high	51 Å²	51	24.4 Å²	24.4	27%	0.273	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-90.3	-5.1	-179.8	-63.4	-39.9	0	0	0	113.1	I425 N444 N445 T449 T450 G451	I425-D447 HydrophobicContact CD1-CB 4.15Å; I425-D447 HydrophobicContact CG1-CB 4.03Å; I425-D447 HydrophobicContact CG2-CB 3.94Å; N444-D447 PolarHBondContact O-N 3.07Å; N445-D447 PolarHBondContact O-N 3.06Å; D447-T449 PolarHBondContact O-N 2.65Å; D447-T450 PolarHBondContact O-N 2.87Å; D447-G451 PolarHBondContact O-N 3.02Å
448	A	92.3	Very high	90.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-51	-168.9	0	0	0	0	0	113	N313 A397 N445 T450 G451 V452	N313-A448 WeakPolarHBondContact OD1-CB 3.17Å; A397-A448 HydrophobicContact CB-CB 3.52Å; N445-A448 WeakPolarHBondContact O-CB 3.28Å; N445-A448 PolarHBondContact O-N 3.41Å; A448-T450 VanDerWaalsContact C-N 3.35Å; A448-T450 PolarHBondContact O-N 2.77Å; A448-G451 PolarHBondContact O-N 2.83Å; A448-V452 WeakPolarHBondContact O-CG2 3.49Å; A448-V452 PolarHBondContact O-N 2.95Å
449	T	89.9	Confident	89.8	Confident	61 Å²	61	25.6 Å²	25.6	37%	0.374	13%	0.132	S	C	.	.	H	α-helix	trans	-62.3	-43.9	-179.2	-52.8	0	0	0	0	111.1	Q239 D447 V452 R453	Q239-T449 HydrophobicContact CB-CG2 4.29Å; Q239-T449 HydrophobicContact CG-CG2 4.46Å; D447-T449 PolarHBondContact O-N 2.65Å; T449-V452 PolarHBondContact O-N 3.41Å; T449-R453 PolarHBondContact O-N 3.04Å
450	T	84.6	Confident	89.2	Confident	16 Å²	16	25.8 Å²	25.8	10%	0.098	13%	0.133	C	C	.	.	H	α-helix	trans	-61.5	-47.6	175	-66.9	0	0	0	0	110.9	A423 I425 D447 A448 V452 R453 V454 H545	A423-T450 HydrophobicContact CB-CG2 4.34Å; I425-T450 HydrophobicContact CD1-CG2 4.03Å; D447-T450 PolarHBondContact O-N 2.87Å; A448-T450 VanDerWaalsContact C-N 3.35Å; A448-T450 PolarHBondContact O-N 2.77Å; T450-V452 VanDerWaalsContact C-N 3.3Å; T450-V452 PolarHBondContact O-N 2.79Å; T450-R453 WeakPolarHBondContact O-CB 3.28Å; T450-R453 PolarHBondContact O-N 3.49Å; T450-V454 HydrophobicContact CG2-CG1 4.21Å; T450-V454 WeakPolarHBondContact O-CG2 3.48Å; T450-V454 PolarHBondContact O-N 3.19Å; T450-H545 HydrophobicContact CG2-CB 3.95Å; T450-H545 WeakPolarHBondContact CG2-CD2 3.49Å; T450-H545 VanDerWaalsContact CG2-CE1 3.44Å; T450-H545 WeakPolarHBondContact CG2-CE1 3.34Å; T450-H545 WeakPolarHBondContact CG2-ND1 3.41Å; T450-H545 VanDerWaalsContact CG2-NE2 3.31Å; T450-H545 WeakPolarHBondContact CG2-NE2 3.28Å; T450-H545 PolarHBondContact OG1-CD2 2.82Å; T450-H545 PolarHBondContact OG1-NE2 3.37Å
451	G	89.9	Confident	87.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.7	-42.1	179.9	0	0	0	0	0	112.2	I425 D447 A448 V454 T455	I425-G451 VanDerWaalsContact CD1-CA 3.49Å; D447-G451 PolarHBondContact O-N 3.02Å; A448-G451 PolarHBondContact O-N 2.83Å; G451-V454 WeakPolarHBondContact O-CG2 3.43Å; G451-T455 WeakPolarHBondContact O-CB 3.2Å; G451-T455 PolarHBondContact O-N 3.46Å; G451-T455 VanDerWaalsContact O-N 3.08Å; G451-T455 PolarHBondContact O-OG1 2.77Å
452	V	90.9	Very high	86.1	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-46.1	173.7	173.2	0	0	0	0	111	C235 V240 I309 N311 I399 A448 T449 T450 T455 H456	C235-V452 HydrophobicContact CB-CG1 4.03Å; V240-V452 HydrophobicContact CG2-CG1 4.14Å; I309-V452 HydrophobicContact CG2-CB 4.39Å; I309-V452 HydrophobicContact CG2-CG1 3.99Å; I309-V452 HydrophobicContact CG2-CG2 4.19Å; N311-V452 HydrophobicContact CB-CG2 3.84Å; I399-V452 HydrophobicContact CG1-CG2 4.32Å; I399-V452 HydrophobicContact CG2-CG2 4.14Å; A448-V452 WeakPolarHBondContact O-CG2 3.49Å; A448-V452 PolarHBondContact O-N 2.95Å; T449-V452 PolarHBondContact O-N 3.41Å; T450-V452 VanDerWaalsContact C-N 3.3Å; T450-V452 PolarHBondContact O-N 2.79Å; V452-T455 PolarHBondContact O-N 2.93Å; V452-H456 VanDerWaalsContact O-CB 3.3Å; V452-H456 WeakPolarHBondContact O-CB 3.33Å; V452-H456 PolarHBondContact O-N 3.2Å
453	R	85.4	Confident	84.8	Confident	77 Å²	77	34 Å²	34	29%	0.291	18%	0.181	S	C	.	.	H	α-helix	trans	-62.3	-50.2	-178.8	-173.6	173.7	68.1	-150.5	4.8	112.7	V240 T449 T450 T455 H456 Q457 H545	V240-R453 HydrophobicContact CG2-CB 4.09Å; V240-R453 HydrophobicContact CG2-CG 4.4Å; T449-R453 PolarHBondContact O-N 3.04Å; T450-R453 WeakPolarHBondContact O-CB 3.28Å; T450-R453 PolarHBondContact O-N 3.49Å; R453-T455 VanDerWaalsContact C-N 3.32Å; R453-T455 PolarHBondContact O-N 3.22Å; R453-H456 PolarHBondContact O-N 3.11Å; R453-Q457 PolarHBondContact O-N 3.24Å; R453-H545 PolarHBondContact NH2-CD2 2.96Å
454	V	81.3	Confident	83.8	Confident	2 Å²	2	36 Å²	36	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-67.9	-35.4	-179.2	-59.9	0	0	0	0	111.8	A419 A423 T450 G451 M458 H545 L547	A419-V454 HydrophobicContact CB-CG2 4.3Å; A423-V454 HydrophobicContact CB-CB 4.44Å; A423-V454 HydrophobicContact CB-CG1 4.03Å; A423-V454 HydrophobicContact CB-CG2 3.94Å; T450-V454 HydrophobicContact CG2-CG1 4.21Å; T450-V454 WeakPolarHBondContact O-CG2 3.48Å; T450-V454 PolarHBondContact O-N 3.19Å; G451-V454 WeakPolarHBondContact O-CG2 3.43Å; V454-M458 WeakPolarHBondContact O-CB 3.5Å; V454-M458 PolarHBondContact O-N 3.24Å; V454-H545 HydrophobicContact CG1-CB 4.18Å; V454-L547 HydrophobicContact CB-CD2 4.31Å; V454-L547 HydrophobicContact CG1-CD2 4.34Å
455	T	88.9	Confident	82.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.3	-42.4	174.7	-58.8	0	0	0	0	110.5	I309 V401 F416 G451 V452 R453 M458 L459	I309-T455 HydrophobicContact CD1-CG2 3.67Å; I309-T455 HydrophobicContact CG1-CG2 4.21Å; V401-T455 HydrophobicContact CG2-CG2 3.85Å; F416-T455 HydrophobicContact CD2-CG2 3.36Å; F416-T455 HydrophobicContact CE2-CG2 3.66Å; F416-T455 WeakPolarHBondContact CE2-OG1 3.26Å; F416-T455 HydrophobicContact CG-CG2 4.32Å; G451-T455 WeakPolarHBondContact O-CB 3.2Å; G451-T455 PolarHBondContact O-N 3.46Å; G451-T455 VanDerWaalsContact O-N 3.08Å; G451-T455 PolarHBondContact O-OG1 2.77Å; V452-T455 PolarHBondContact O-N 2.93Å; R453-T455 VanDerWaalsContact C-N 3.32Å; R453-T455 PolarHBondContact O-N 3.22Å; T455-M458 PolarHBondContact O-N 3.47Å; T455-L459 HydrophobicContact CG2-CD1 3.51Å; T455-L459 HydrophobicContact CG2-CG 4.08Å; T455-L459 WeakPolarHBondContact O-CB 3.46Å; T455-L459 VanDerWaalsContact O-CG 3.29Å; T455-L459 WeakPolarHBondContact O-CG 3.43Å; T455-L459 PolarHBondContact O-N 2.61Å
456	H	87.3	Confident	82.7	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.009	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-48.5	177.4	-179	-88.1	0	0	0	111.3	T234 C235 V240 D242 I309 V452 R453 M458 L459 F460	T234-H456 PolarHBondContact OG1-CD2 3.28Å; T234-H456 PolarHBondContact OG1-NE2 3.14Å; C235-H456 PolarHBondContact SG-CD2 3.1Å; V240-H456 HydrophobicContact CG1-CB 4.35Å; D242-H456 PolarHBondContact O-CE1 2.94Å; D242-H456 VanDerWaalsContact O-CE1 3.22Å; I309-H456 HydrophobicContact CD1-CB 3.71Å; I309-H456 VanDerWaalsContact CD1-N 3.32Å; V452-H456 VanDerWaalsContact O-CB 3.3Å; V452-H456 WeakPolarHBondContact O-CB 3.33Å; V452-H456 PolarHBondContact O-N 3.2Å; R453-H456 PolarHBondContact O-N 3.11Å; H456-M458 VanDerWaalsContact C-N 3.32Å; H456-M458 PolarHBondContact O-N 2.87Å; H456-L459 PolarHBondContact O-N 2.82Å; H456-F460 HydrophobicContact CB-CD2 4.39Å; H456-F460 AromaticContact CD2-CD2 3.18Å; H456-F460 WeakPolarHBondContact CD2-CD2 3.12Å; H456-F460 AromaticContact CD2-CE2 3.57Å; H456-F460 AromaticContact CD2-CG 3.93Å; H456-F460 AromaticContact CG-CD2 3.81Å; H456-F460 AromaticContact NE2-CD2 3.52Å; H456-F460 AromaticContact NE2-CG 3.76Å; H456-F460 WeakPolarHBondContact O-CB 3.48Å; H456-F460 WeakPolarHBondContact O-CD2 3.28Å; H456-F460 PolarHBondContact O-N 3.31Å
457	Q	78.2	Confident	82.6	Confident	32 Å²	32	26.4 Å²	26.4	15%	0.15	14%	0.139	C	C	.	.	H	α-helix	trans	-56.8	-46	175.6	-170	175.3	-3.2	0	0	111.4	R453 N461 L547	R453-Q457 PolarHBondContact O-N 3.24Å; Q457-N461 WeakPolarHBondContact O-CA 3.33Å; Q457-N461 WeakPolarHBondContact O-CB 3.3Å; Q457-N461 PolarHBondContact O-N 3.08Å; Q457-L547 VanDerWaalsContact CD-CD1 3.41Å; Q457-L547 HydrophobicContact CG-CD1 3.93Å; Q457-L547 VanDerWaalsContact NE2-CD1 3.33Å
458	M	77.9	Confident	82.8	Confident	46 Å²	46	24 Å²	24	23%	0.227	13%	0.126	C	C	.	.	H	α-helix	trans	-72.1	-30.3	-177.4	-168.7	67.4	-176.5	0	0	114.3	K415 A419 V454 T455 H456	K415-M458 HydrophobicContact CB-CE 4.48Å; K415-M458 HydrophobicContact CB-CG 4.19Å; K415-M458 HydrophobicContact CG-CE 4.26Å; A419-M458 HydrophobicContact CB-CB 3.76Å; A419-M458 HydrophobicContact CB-CG 4.07Å; V454-M458 WeakPolarHBondContact O-CB 3.5Å; V454-M458 PolarHBondContact O-N 3.24Å; T455-M458 PolarHBondContact O-N 3.47Å; H456-M458 VanDerWaalsContact C-N 3.32Å; H456-M458 PolarHBondContact O-N 2.87Å
459	L	83.5	Confident	82.9	Confident	24 Å²	24	24.2 Å²	24.2	13%	0.126	13%	0.127	C	C	.	.	H	α-helix	trans	-91.9	-33.3	-176.7	-66	-179	0	0	0	113.2	V306 I309 V401 I412 K415 T455 H456	V306-L459 HydrophobicContact CG1-CD1 4.23Å; V306-L459 HydrophobicContact CG2-CD1 4.31Å; I309-L459 HydrophobicContact CD1-CD1 4.31Å; V401-L459 HydrophobicContact CB-CD1 4.48Å; V401-L459 HydrophobicContact CG1-CD1 3.61Å; V401-L459 HydrophobicContact CG2-CD1 3.95Å; I412-L459 HydrophobicContact CD1-CD2 4.32Å; I412-L459 HydrophobicContact CG2-CD2 4.28Å; K415-L459 HydrophobicContact CB-CD2 3.78Å; K415-L459 HydrophobicContact CD-CD2 4.35Å; T455-L459 HydrophobicContact CG2-CD1 3.51Å; T455-L459 HydrophobicContact CG2-CG 4.08Å; T455-L459 WeakPolarHBondContact O-CB 3.46Å; T455-L459 VanDerWaalsContact O-CG 3.29Å; T455-L459 WeakPolarHBondContact O-CG 3.43Å; T455-L459 PolarHBondContact O-N 2.61Å; H456-L459 PolarHBondContact O-N 2.82Å
460	F	80.3	Confident	83.2	Confident	5 Å²	5	21.4 Å²	21.4	2%	0.022	11%	0.109	C	C	.	.	H	α-helix	trans	-107.7	-26.2	-175.2	-63.4	-84.5	0	0	0	114	T234 R244 L304 V306 I309 H456	T234-F460 HydrophobicContact CG2-CD1 3.77Å; T234-F460 HydrophobicContact CG2-CE1 3.3Å; T234-F460 HydrophobicContact CG2-CE2 4.32Å; T234-F460 HydrophobicContact CG2-CG 4.45Å; T234-F460 HydrophobicContact CG2-CZ 3.61Å; R244-F460 VanDerWaalsContact CZ-O 3.27Å; R244-F460 PolarHBondContact NH1-O 3.18Å; R244-F460 VanDerWaalsContact NH1-O 3.11Å; R244-F460 PolarHBondContact NH2-O 3.1Å; L304-F460 HydrophobicContact CD1-CD1 4.27Å; L304-F460 HydrophobicContact CD1-CE1 4.18Å; L304-F460 HydrophobicContact CD2-CD1 4.27Å; V306-F460 HydrophobicContact CB-CZ 4.27Å; V306-F460 HydrophobicContact CG1-CE2 4.23Å; V306-F460 HydrophobicContact CG1-CZ 3.8Å; V306-F460 WeakPolarHBondContact O-CE1 3.26Å; I309-F460 HydrophobicContact CD1-CD2 4.2Å; I309-F460 HydrophobicContact CD1-CE2 3.66Å; I309-F460 HydrophobicContact CG1-CE2 4.02Å; H456-F460 HydrophobicContact CB-CD2 4.39Å; H456-F460 AromaticContact CD2-CD2 3.18Å; H456-F460 WeakPolarHBondContact CD2-CD2 3.12Å; H456-F460 AromaticContact CD2-CE2 3.57Å; H456-F460 AromaticContact CD2-CG 3.93Å; H456-F460 AromaticContact CG-CD2 3.81Å; H456-F460 AromaticContact NE2-CD2 3.52Å; H456-F460 AromaticContact NE2-CG 3.76Å; H456-F460 WeakPolarHBondContact O-CB 3.48Å; H456-F460 WeakPolarHBondContact O-CD2 3.28Å; H456-F460 PolarHBondContact O-N 3.31Å
461	N	67.1	Low	83.7	Confident	41 Å²	41	20.9 Å²	20.9	22%	0.219	11%	0.106	C	C	.	.			trans	-85.2	124.9	170.6	-64.7	-22.7	0	0	0	109.6	R244 Q457 D463	R244-N461 PolarHBondContact NH2-OD1 3.04Å; Q457-N461 WeakPolarHBondContact O-CA 3.33Å; Q457-N461 WeakPolarHBondContact O-CB 3.3Å; Q457-N461 PolarHBondContact O-N 3.08Å; N461-D463 VanDerWaalsContact C-N 3.26Å
462	T	59.3	Low	83.9	Confident	100 Å²	100	21.3 Å²	21.3	61%	0.613	11%	0.11	S	C	*	.			trans	-71.8	-25.1	177.9	41.3	0	0	0	0	112.2
463	D	71.1	Confident	83.9	Confident	37 Å²	37	22.7 Å²	22.7	20%	0.198	12%	0.118	C	C	.	.	S	Bend	trans	-87.1	129	-165.5	-57.5	-7.3	0	0	0	111.5	N461 V465 K492 H495 D497	N461-D463 VanDerWaalsContact C-N 3.26Å; D463-V465 PolarHBondContact O-N 2.82Å; D463-K492 IonicContact OD2-NZ 2.65Å; D463-H495 CarbonylContact C-O 3.14Å; D463-H495 WeakPolarHBondContact CA-O 3.21Å; D463-H495 WeakPolarHBondContact OD1-CA 3.35Å; D463-H495 IonicContact OD1-CG 3.73Å; D463-H495 IonicContact OD1-ND1 3.18Å; D463-H495 PolarHBondContact OD1-ND1 3.08Å; D463-D497 HydrophobicContact CB-CB 3.85Å
464	Q	75.2	Confident	84.1	Confident	41 Å²	41	21.3 Å²	21.3	19%	0.192	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	117.8	172.2	-57.7	-172.4	12.6	0	0	109.3	H495 I496 D497 L814	Q464-H495 PolarHBondContact N-O 3.28Å; Q464-I496 CarbonylContact O-C 3.15Å; Q464-I496 WeakPolarHBondContact O-CA 3.06Å; Q464-D497 PolarHBondContact O-N 2.68Å; Q464-L814 HydrophobicContact CB-CD2 3.81Å
465	V	79.3	Confident	84.5	Confident	12 Å²	12	23 Å²	23	7%	0.073	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	140.7	-177.4	-173.9	0	0	0	0	110.8	D463 E467 D497 L547 N548	D463-V465 PolarHBondContact O-N 2.82Å; V465-E467 HydrophobicContact CG1-CG 3.81Å; V465-D497 VanDerWaalsContact CA-O 3.31Å; V465-D497 WeakPolarHBondContact CA-O 3.42Å; V465-D497 HydrophobicContact CG2-CB 4.25Å; V465-L547 HydrophobicContact CB-CD1 4.35Å; V465-L547 HydrophobicContact CG2-CD1 4.19Å; V465-N548 VanDerWaalsContact O-CB 3.25Å; V465-N548 WeakPolarHBondContact O-CB 3.26Å; V465-N548 PolarHBondContact O-ND2 3.46Å
466	I	89.5	Confident	84.7	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118.3	164.2	-53.3	174.7	0	0	0	106.9	V468 I496 D497 L498 R499 V550 L811 L814	I466-V468 HydrophobicContact CG2-CG2 3.69Å; I466-I496 HydrophobicContact CD1-CG2 4.24Å; I466-D497 PolarHBondContact N-O 3.45Å; I466-L498 HydrophobicContact CB-CB 4.45Å; I466-L498 HydrophobicContact CB-CG 4.12Å; I466-L498 HydrophobicContact CD1-CD1 4.26Å; I466-L498 HydrophobicContact CG2-CG 4.43Å; I466-L498 WeakPolarHBondContact O-CA 3.26Å; I466-R499 PolarHBondContact O-N 2.88Å; I466-V550 HydrophobicContact CG2-CG2 3.66Å; I466-L811 HydrophobicContact CD1-CD2 4.16Å; I466-L814 HydrophobicContact CD1-CD1 4.4Å; I466-L814 HydrophobicContact CD1-CD2 3.63Å; I466-L814 HydrophobicContact CD1-CG 3.87Å; I466-L814 HydrophobicContact CG1-CD2 3.5Å; I466-L814 HydrophobicContact CG1-CG 4.29Å
467	E	90.8	Very high	85	Confident	6 Å²	6	24.2 Å²	24.2	3%	0.028	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	107.8	177.3	-65.1	115.4	147	0	0	110.4	V465 R499 L546 L547 N548 P549 V550	V465-E467 HydrophobicContact CG1-CG 3.81Å; E467-R499 CarbonylContact C-O 3.58Å; E467-R499 WeakPolarHBondContact CA-O 3.44Å; E467-L546 HydrophobicContact CB-CB 4.31Å; E467-L546 HydrophobicContact CB-CD1 4.01Å; E467-L546 HydrophobicContact CG-CB 4.2Å; E467-L546 HydrophobicContact CG-CD1 4.32Å; E467-L546 HydrophobicContact CG-CD2 4.1Å; E467-L546 HydrophobicContact CG-CG 4.43Å; E467-L546 VanDerWaalsContact OE1-CA 3.31Å; E467-L546 WeakPolarHBondContact OE1-CA 3.42Å; E467-L547 VanDerWaalsContact CD-N 3.32Å; E467-L547 PolarHBondContact OE1-N 2.57Å; E467-L547 PolarHBondContact OE2-N 3.05Å; E467-N548 PolarHBondContact N-O 2.87Å; E467-N548 VanDerWaalsContact OE2-C 3.3Å; E467-N548 WeakPolarHBondContact OE2-CA 3.44Å; E467-N548 PolarHBondContact OE2-N 3.42Å; E467-P549 CarbonylContact O-C 3.58Å; E467-P549 VanDerWaalsContact O-CA 3.3Å; E467-P549 WeakPolarHBondContact O-CA 3.19Å; E467-V550 PolarHBondContact O-N 3Å
468	V	95.5	Very high	85.8	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.8	-169.3	-176	0	0	0	0	111.4	I466 V470 L498 R499 V500 C501 G502 V552 L810	I466-V468 HydrophobicContact CG2-CG2 3.69Å; V468-V470 HydrophobicContact CG1-CG2 3.78Å; V468-L498 HydrophobicContact CG2-CD2 3.74Å; V468-L498 HydrophobicContact CG2-CG 4.04Å; V468-R499 PolarHBondContact N-O 2.71Å; V468-V500 CarbonylContact O-C 3.58Å; V468-V500 WeakPolarHBondContact O-CA 3.43Å; V468-C501 PolarHBondContact O-N 3.46Å; V468-G502 PolarHBondContact O-N 3.26Å; V468-V552 HydrophobicContact CG1-CB 4.45Å; V468-V552 HydrophobicContact CG1-CG2 3.6Å; V468-L810 HydrophobicContact CG1-CD1 4.25Å; V468-L810 HydrophobicContact CG1-CD2 4.16Å; V468-L810 HydrophobicContact CG2-CD1 4.18Å; V468-L810 HydrophobicContact CG2-CD2 3.88Å
469	F	95.4	Very high	86.6	Confident	5 Å²	5	22.1 Å²	22.1	2%	0.022	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	107.3	169.6	-64.9	-87.2	0	0	0	109.6	C501 G502 L537 V541 L546 P549 V550 I551 V552 F572	F469-C501 HydrophobicContact CD1-CB 4.46Å; F469-C501 HydrophobicContact CE1-CB 3.85Å; F469-C501 HydrophobicContact CE2-CB 4.23Å; F469-C501 HydrophobicContact CZ-CB 3.74Å; F469-G502 CarbonylContact C-O 3.55Å; F469-G502 WeakPolarHBondContact CA-O 3.26Å; F469-L537 HydrophobicContact CB-CD1 4.46Å; F469-L537 HydrophobicContact CD1-CD1 4.34Å; F469-L537 HydrophobicContact CD1-CD2 3.54Å; F469-L537 HydrophobicContact CE1-CD2 3.63Å; F469-L537 HydrophobicContact CG-CD1 4.44Å; F469-L537 HydrophobicContact CG-CD2 4.37Å; F469-L537 HydrophobicContact CZ-CD2 4.5Å; F469-V541 HydrophobicContact CE2-CG2 4.25Å; F469-V541 HydrophobicContact CZ-CG2 4.46Å; F469-L546 HydrophobicContact CE2-CD1 3.62Å; F469-L546 HydrophobicContact CZ-CD1 3.47Å; F469-L546 VanDerWaalsContact CZ-CD1 3.47Å; F469-P549 HydrophobicContact CE2-CB 4.35Å; F469-V550 PolarHBondContact N-O 3.21Å; F469-I551 HydrophobicContact CB-CD1 3.81Å; F469-I551 HydrophobicContact CD2-CD1 4.36Å; F469-I551 HydrophobicContact CG-CD1 4.32Å; F469-V552 PolarHBondContact O-N 2.97Å; F469-F572 HydrophobicContact CD2-CE1 4.08Å; F469-F572 HydrophobicContact CE2-CE1 4.09Å
470	V	96.3	Very high	87.2	Confident	1 Å²	1	21 Å²	21	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117.5	-178.7	-174.8	0	0	0	0	109.8	V468 L480 L481 G502 V503 A504 V552	V468-V470 HydrophobicContact CG1-CG2 3.78Å; V470-L480 HydrophobicContact CG2-CD2 4.21Å; V470-L481 HydrophobicContact CG2-CD2 3.99Å; V470-G502 PolarHBondContact N-O 3.49Å; V470-V503 CarbonylContact O-C 3.58Å; V470-V503 WeakPolarHBondContact O-CA 3.38Å; V470-A504 PolarHBondContact O-N 2.89Å; V470-V552 HydrophobicContact CG2-CB 4.38Å
471	I	95	Very high	88	Confident	6 Å²	6	20.8 Å²	20.8	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.9	173.7	-48.4	171.6	0	0	0	107.5	A504 F532 I551 V552 C554 T555 V560 F567	I471-A504 HydrophobicContact CG2-CB 4.4Å; I471-F532 HydrophobicContact CD1-CD2 4.43Å; I471-F532 HydrophobicContact CD1-CE1 4.31Å; I471-F532 HydrophobicContact CD1-CE2 3.45Å; I471-F532 VanDerWaalsContact CD1-CE2 3.45Å; I471-F532 HydrophobicContact CD1-CZ 3.39Å; I471-F532 HydrophobicContact CG1-CD2 4.38Å; I471-F532 HydrophobicContact CG1-CE2 3.72Å; I471-F532 HydrophobicContact CG1-CZ 4.18Å; I471-F532 HydrophobicContact CG2-CE2 4.45Å; I471-I551 HydrophobicContact CD1-CG2 3.66Å; I471-I551 HydrophobicContact CG1-CG2 4.4Å; I471-V552 PolarHBondContact N-O 3Å; I471-C554 WeakPolarHBondContact O-CA 3.39Å; I471-C554 PolarHBondContact O-N 2.96Å; I471-T555 HydrophobicContact CG2-CG2 3.83Å; I471-V560 HydrophobicContact CD1-CG1 3.89Å; I471-V560 HydrophobicContact CG2-CG1 4.26Å; I471-V560 HydrophobicContact CG2-CG2 4.34Å; I471-F567 HydrophobicContact CD1-CE2 4.5Å; I471-F567 HydrophobicContact CD1-CZ 4.09Å
472	G	93.6	Very high	89.4	Confident	8 Å²	8	23.5 Å²	23.5	8%	0.082	16%	0.156	C	C	.	.			trans	92.9	89.8	-177.8	0	0	0	0	0	113	G474 G477 A504 C554	G472-G474 VanDerWaalsContact C-N 3.28Å; G472-G474 PolarHBondContact O-N 3.24Å; G472-G477 WeakPolarHBondContact O-CA 3.31Å; G472-A504 PolarHBondContact N-O 3.05Å; G472-C554 VanDerWaalsContact O-CB 3.31Å; G472-C554 WeakPolarHBondContact O-CB 3.33Å
473	V	91.4	Very high	91.1	Very high	31 Å²	31	19.7 Å²	19.7	19%	0.188	13%	0.132	C	C	.	.			trans	-93.3	43.1	174.6	-72.3	0	0	0	0	113.7	L481 V503 N505 W521 L525	V473-L481 HydrophobicContact CG1-CD1 3.72Å; V473-V503 HydrophobicContact CB-CG1 4.36Å; V473-V503 HydrophobicContact CG1-CG1 3.18Å; V473-V503 HydrophobicContact CG2-CG1 4.38Å; V473-N505 HydrophobicContact CG2-CB 4.08Å; V473-W521 HydrophobicContact CB-CH2 3.67Å; V473-W521 HydrophobicContact CB-CZ3 3.76Å; V473-W521 HydrophobicContact CG1-CH2 3.85Å; V473-W521 HydrophobicContact CG1-CZ3 3.72Å; V473-W521 HydrophobicContact CG2-CH2 4.2Å; V473-W521 HydrophobicContact CG2-CZ3 3.91Å; V473-L525 HydrophobicContact CG2-CD2 3.67Å
474	G	89.6	Confident	92.2	Very high	49 Å²	49	18 Å²	18	51%	0.505	12%	0.122	S	C	.	.	S	Bend	trans	-76.8	-147.3	169.6	0	0	0	0	0	111.5	G472 G478	G472-G474 VanDerWaalsContact C-N 3.28Å; G472-G474 PolarHBondContact O-N 3.24Å; G474-G478 PolarHBondContact O-N 3.34Å
475	G	89.4	Confident	93.2	Very high	38 Å²	38	19.4 Å²	19.4	39%	0.392	13%	0.128	S	C	.	.	H	α-helix	trans	-54.6	-58.4	179.6	0	0	0	0	0	113.7	A479 N799	G475-A479 WeakPolarHBondContact O-CB 3.34Å; G475-A479 PolarHBondContact O-N 2.88Å; G475-A479 VanDerWaalsContact O-N 3.08Å; G475-N799 VanDerWaalsContact C-CG 3.44Å; G475-N799 WeakPolarHBondContact CA-ND2 3.43Å
476	V	92.1	Very high	93.9	Very high	26 Å²	26	27.3 Å²	27.3	16%	0.158	16%	0.157	C	C	.	.	H	α-helix	trans	-67.5	-47	-178.5	-179.2	0	0	0	0	112	G478 A479 L480 P577 T802 A803	V476-G478 PolarHBondContact O-N 3.04Å; V476-A479 PolarHBondContact O-N 3.27Å; V476-L480 WeakPolarHBondContact O-CB 3.25Å; V476-L480 PolarHBondContact O-N 3.15Å; V476-P577 HydrophobicContact CG1-CG 4.35Å; V476-T802 HydrophobicContact CG1-CG2 3.78Å; V476-T802 HydrophobicContact CG2-CG2 4.01Å; V476-A803 HydrophobicContact CG1-CB 4.35Å
477	G	94.6	Very high	94.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.1	-38.8	-179.4	0	0	0	0	0	113.3	G472 L480 L481	G472-G477 WeakPolarHBondContact O-CA 3.31Å; G477-L480 PolarHBondContact O-N 3.16Å; G477-L481 WeakPolarHBondContact O-CG 3.29Å; G477-L481 PolarHBondContact O-N 2.87Å; G477-L481 VanDerWaalsContact O-N 3.09Å
478	G	94.9	Very high	94.2	Very high	22 Å²	22	32.4 Å²	32.4	23%	0.227	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-45.6	173.9	0	0	0	0	0	112.3	G474 V476 L480 L481 E482	G474-G478 PolarHBondContact O-N 3.34Å; V476-G478 PolarHBondContact O-N 3.04Å; G478-L480 VanDerWaalsContact C-N 3.32Å; G478-L480 PolarHBondContact O-N 3.42Å; G478-L481 PolarHBondContact O-N 3.23Å; G478-E482 PolarHBondContact O-N 2.94Å; G478-E482 VanDerWaalsContact O-N 3.11Å
479	A	94.9	Very high	94	Very high	13 Å²	13	36.7 Å²	36.7	11%	0.107	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-39.8	175.1	0	0	0	0	0	112.1	G475 V476 E482 Q483 N799 A803	G475-A479 WeakPolarHBondContact O-CB 3.34Å; G475-A479 PolarHBondContact O-N 2.88Å; G475-A479 VanDerWaalsContact O-N 3.08Å; V476-A479 PolarHBondContact O-N 3.27Å; A479-E482 PolarHBondContact O-N 3.35Å; A479-Q483 VanDerWaalsContact O-CG 3.31Å; A479-Q483 WeakPolarHBondContact O-CG 3.44Å; A479-Q483 PolarHBondContact O-N 2.8Å; A479-N799 HydrophobicContact CB-CB 4.23Å; A479-A803 HydrophobicContact CB-CB 3.78Å
480	L	96.6	Very high	93.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-48.9	175	176	67	0	0	0	111.5	V470 V476 G477 G478 E482 Q483 L484 V552 A803 V806 F807 L810	V470-L480 HydrophobicContact CG2-CD2 4.21Å; V476-L480 WeakPolarHBondContact O-CB 3.25Å; V476-L480 PolarHBondContact O-N 3.15Å; G477-L480 PolarHBondContact O-N 3.16Å; G478-L480 VanDerWaalsContact C-N 3.32Å; G478-L480 PolarHBondContact O-N 3.42Å; L480-E482 VanDerWaalsContact C-N 3.29Å; L480-E482 PolarHBondContact O-N 3.43Å; L480-Q483 PolarHBondContact O-N 3.45Å; L480-L484 HydrophobicContact CD1-CD1 4.35Å; L480-L484 HydrophobicContact CD1-CG 4.19Å; L480-L484 HydrophobicContact CG-CD1 4.12Å; L480-L484 HydrophobicContact CG-CG 4.34Å; L480-L484 WeakPolarHBondContact O-CB 3.38Å; L480-L484 VanDerWaalsContact O-CG 3.29Å; L480-L484 WeakPolarHBondContact O-CG 3.45Å; L480-L484 PolarHBondContact O-N 3.45Å; L480-V552 HydrophobicContact CD2-CG1 3.72Å; L480-A803 HydrophobicContact CB-CB 4.04Å; L480-V806 HydrophobicContact CD1-CB 4.43Å; L480-V806 HydrophobicContact CD1-CG1 4.1Å; L480-V806 HydrophobicContact CD2-CG1 3.74Å; L480-F807 HydrophobicContact CD1-CB 3.93Å; L480-L810 HydrophobicContact CD1-CD1 4.24Å
481	L	96.5	Very high	93.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-39	179.7	-69.2	173.7	0	0	0	111.9	V470 V473 G477 G478 L484 K485 V500 V503 L518 W521	V470-L481 HydrophobicContact CG2-CD2 3.99Å; V473-L481 HydrophobicContact CG1-CD1 3.72Å; G477-L481 WeakPolarHBondContact O-CG 3.29Å; G477-L481 PolarHBondContact O-N 2.87Å; G477-L481 VanDerWaalsContact O-N 3.09Å; G478-L481 PolarHBondContact O-N 3.23Å; L481-L484 PolarHBondContact O-N 3.42Å; L481-K485 WeakPolarHBondContact O-CB 3.31Å; L481-K485 PolarHBondContact O-N 3.19Å; L481-V500 HydrophobicContact CD2-CB 4.49Å; L481-V500 HydrophobicContact CD2-CG1 3.81Å; L481-V500 HydrophobicContact CD2-CG2 4.01Å; L481-V503 HydrophobicContact CD1-CG1 4.33Å; L481-V503 HydrophobicContact CD1-CG2 4.05Å; L481-V503 HydrophobicContact CD2-CG2 4.2Å; L481-L518 HydrophobicContact CD2-CD2 4.12Å; L481-W521 HydrophobicContact CB-CZ2 4.48Å; L481-W521 HydrophobicContact CD1-CD2 3.81Å; L481-W521 HydrophobicContact CD1-CE3 4.08Å; L481-W521 HydrophobicContact CD1-CH2 3.88Å; L481-W521 HydrophobicContact CD1-CZ2 3.55Å; L481-W521 HydrophobicContact CD1-CZ3 4.12Å
482	E	95.7	Very high	93.1	Very high	97 Å²	97	45.8 Å²	45.8	45%	0.453	25%	0.246	S	C	.	.	H	α-helix	trans	-67.2	-40.6	175.6	-171.5	56.9	-146.1	0	0	112.1	G478 A479 L480 K485 R486	G478-E482 PolarHBondContact O-N 2.94Å; G478-E482 VanDerWaalsContact O-N 3.11Å; A479-E482 PolarHBondContact O-N 3.35Å; L480-E482 VanDerWaalsContact C-N 3.29Å; L480-E482 PolarHBondContact O-N 3.43Å; E482-K485 WeakPolarHBondContact O-CB 3.31Å; E482-K485 PolarHBondContact O-N 3.34Å; E482-R486 WeakPolarHBondContact O-CB 3.43Å; E482-R486 PolarHBondContact O-N 2.93Å
483	Q	95.5	Very high	92.8	Very high	21 Å²	21	52 Å²	52	10%	0.098	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-42.6	174.8	-71	-179	26.2	0	0	112.1	A479 L480 R486 Q487 D800 A804 F807	A479-Q483 VanDerWaalsContact O-CG 3.31Å; A479-Q483 WeakPolarHBondContact O-CG 3.44Å; A479-Q483 PolarHBondContact O-N 2.8Å; L480-Q483 PolarHBondContact O-N 3.45Å; Q483-R486 PolarHBondContact O-N 3.37Å; Q483-Q487 WeakPolarHBondContact O-CB 3.5Å; Q483-Q487 WeakPolarHBondContact O-CG 3.35Å; Q483-Q487 PolarHBondContact O-N 2.99Å; Q483-D800 PolarHBondContact NE2-O 3.01Å; Q483-A804 VanDerWaalsContact OE1-CA 3.24Å; Q483-F807 HydrophobicContact CB-CD1 4.1Å; Q483-F807 HydrophobicContact CB-CE1 4.46Å
484	L	95.4	Very high	92.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-44.6	175.7	-71.2	179.2	0	0	0	111.1	L480 L481 Q487 Q488 L498 V500 L518 F807 L810	L480-L484 HydrophobicContact CD1-CD1 4.35Å; L480-L484 HydrophobicContact CD1-CG 4.19Å; L480-L484 HydrophobicContact CG-CD1 4.12Å; L480-L484 HydrophobicContact CG-CG 4.34Å; L480-L484 WeakPolarHBondContact O-CB 3.38Å; L480-L484 VanDerWaalsContact O-CG 3.29Å; L480-L484 WeakPolarHBondContact O-CG 3.45Å; L480-L484 PolarHBondContact O-N 3.45Å; L481-L484 PolarHBondContact O-N 3.42Å; L484-Q487 PolarHBondContact O-N 2.98Å; L484-Q488 WeakPolarHBondContact O-CG 3.33Å; L484-Q488 PolarHBondContact O-N 3.47Å; L484-L498 HydrophobicContact CD1-CD2 3.93Å; L484-L498 HydrophobicContact CD2-CD1 3.54Å; L484-L498 HydrophobicContact CD2-CD2 3.67Å; L484-L498 HydrophobicContact CD2-CG 4.26Å; L484-L498 HydrophobicContact CG-CD2 4.3Å; L484-V500 HydrophobicContact CD1-CG2 3.74Å; L484-L518 HydrophobicContact CB-CD1 4.25Å; L484-F807 HydrophobicContact CD2-CD1 4.05Å; L484-F807 HydrophobicContact CD2-CD2 3.81Å; L484-F807 HydrophobicContact CD2-CE1 3.84Å; L484-F807 HydrophobicContact CD2-CE2 3.67Å; L484-F807 HydrophobicContact CD2-CG 4.06Å; L484-F807 HydrophobicContact CD2-CZ 3.7Å; L484-L810 HydrophobicContact CD1-CD1 4.42Å; L484-L810 HydrophobicContact CD2-CD1 4.29Å
485	K	94.7	Very high	92	Very high	72 Å²	72	55.9 Å²	55.9	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-56.8	-51.8	175	-179.7	-173.7	178.8	-178.9	0	111.5	L481 E482 Q487 Q488 L518	L481-K485 WeakPolarHBondContact O-CB 3.31Å; L481-K485 PolarHBondContact O-N 3.19Å; E482-K485 WeakPolarHBondContact O-CB 3.31Å; E482-K485 PolarHBondContact O-N 3.34Å; K485-Q487 VanDerWaalsContact C-N 3.27Å; K485-Q487 PolarHBondContact O-N 2.85Å; K485-Q488 PolarHBondContact O-N 3.02Å; K485-L518 HydrophobicContact CB-CB 3.91Å; K485-L518 HydrophobicContact CB-CD1 3.93Å; K485-L518 HydrophobicContact CD-CB 4.28Å; K485-L518 HydrophobicContact CG-CB 4.04Å
486	R	95	Very high	91.9	Very high	178 Å²	178	54.5 Å²	54.5	67%	0.672	26%	0.263	S	S	*	.	H	α-helix	trans	-60.6	-35.4	-179.4	-172.4	179.5	69.3	-172.2	-1.7	112.7	E482 Q483	E482-R486 WeakPolarHBondContact O-CB 3.43Å; E482-R486 PolarHBondContact O-N 2.93Å; Q483-R486 PolarHBondContact O-N 3.37Å
487	Q	94.4	Very high	91.6	Very high	60 Å²	60	54.1 Å²	54.1	28%	0.28	26%	0.26	S	S	.	.	H	α-helix	trans	-91	-0.1	-174	-65.9	-67.1	4.6	0	0	114.8	Q483 L484 K485 S489 W490 L491 F807	Q483-Q487 WeakPolarHBondContact O-CB 3.5Å; Q483-Q487 WeakPolarHBondContact O-CG 3.35Å; Q483-Q487 PolarHBondContact O-N 2.99Å; L484-Q487 PolarHBondContact O-N 2.98Å; K485-Q487 VanDerWaalsContact C-N 3.27Å; K485-Q487 PolarHBondContact O-N 2.85Å; Q487-S489 VanDerWaalsContact C-N 3.27Å; Q487-S489 PolarHBondContact O-N 2.99Å; Q487-W490 PolarHBondContact O-N 3.02Å; Q487-L491 HydrophobicContact CB-CD1 4.49Å; Q487-L491 WeakPolarHBondContact O-CG 3.49Å; Q487-L491 PolarHBondContact O-N 3.26Å; Q487-F807 HydrophobicContact CB-CE1 3.78Å; Q487-F807 HydrophobicContact CB-CZ 3.81Å; Q487-F807 HydrophobicContact CG-CE1 3.68Å; Q487-F807 HydrophobicContact CG-CZ 4.14Å
488	Q	92.1	Very high	91.5	Very high	53 Å²	53	54.1 Å²	54.1	25%	0.248	26%	0.26	C	S	.	.	H	α-helix	trans	-51.3	-44.1	-179.3	-76.6	-62.1	-30.7	0	0	113.2	L484 K485 W490 L491 K492 L498	L484-Q488 WeakPolarHBondContact O-CG 3.33Å; L484-Q488 PolarHBondContact O-N 3.47Å; K485-Q488 PolarHBondContact O-N 3.02Å; Q488-W490 PolarHBondContact O-N 3.25Å; Q488-L491 PolarHBondContact O-N 3.4Å; Q488-K492 WeakPolarHBondContact O-CG 3.43Å; Q488-K492 PolarHBondContact O-N 3.33Å; Q488-L498 PolarHBondContact NE2-O 3.33Å
489	S	90.5	Very high	91.3	Very high	90 Å²	90	55.8 Å²	55.8	63%	0.629	26%	0.259	S	S	*	.	H	α-helix	trans	-65.4	-40.3	179.4	-62.8	0	0	0	0	112.6	Q487 N493	Q487-S489 VanDerWaalsContact C-N 3.27Å; Q487-S489 PolarHBondContact O-N 2.99Å; S489-N493 VanDerWaalsContact O-CG 3.3Å; S489-N493 PolarHBondContact O-N 3.37Å; S489-N493 VanDerWaalsContact O-N 3.12Å; S489-N493 PolarHBondContact O-ND2 3.35Å
490	W	92.6	Very high	91.3	Very high	121 Å²	121	55.3 Å²	55.3	46%	0.458	26%	0.255	S	S	.	.	H	α-helix	trans	-67.5	-41.7	178.3	178.1	88.9	0	0	0	111.6	Q487 Q488 N493 K494 L811	Q487-W490 PolarHBondContact O-N 3.02Å; Q488-W490 PolarHBondContact O-N 3.25Å; W490-N493 PolarHBondContact O-N 2.98Å; W490-K494 HydrophobicContact CH2-CG 4.41Å; W490-K494 HydrophobicContact CZ2-CG 4.11Å; W490-K494 PolarHBondContact O-N 3.31Å; W490-L811 HydrophobicContact CZ3-CD1 4.26Å
491	L	90.8	Very high	91.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-46.7	176.4	-68.8	168.2	0	0	0	111.2	Q487 Q488 N493 K494 H495 I496 L498 F807 L811	Q487-L491 HydrophobicContact CB-CD1 4.49Å; Q487-L491 WeakPolarHBondContact O-CG 3.49Å; Q487-L491 PolarHBondContact O-N 3.26Å; Q488-L491 PolarHBondContact O-N 3.4Å; L491-N493 VanDerWaalsContact C-N 3.33Å; L491-N493 PolarHBondContact O-N 2.94Å; L491-K494 CarbonylContact O-C 3.18Å; L491-K494 WeakPolarHBondContact O-CA 3.21Å; L491-K494 PolarHBondContact O-N 3.41Å; L491-H495 PolarHBondContact O-N 3Å; L491-I496 CarbonylContact C-O 3.57Å; L491-I496 HydrophobicContact CB-CB 4.23Å; L491-I496 HydrophobicContact CB-CG2 4.49Å; L491-I496 HydrophobicContact CD2-CB 4.16Å; L491-I496 HydrophobicContact CD2-CD1 4.31Å; L491-I496 HydrophobicContact CD2-CG2 3.95Å; L491-I496 PolarHBondContact O-N 3.05Å; L491-L498 HydrophobicContact CD1-CB 3.77Å; L491-L498 HydrophobicContact CD1-CD1 4.16Å; L491-F807 HydrophobicContact CD1-CE2 4.46Å; L491-F807 HydrophobicContact CD1-CZ 4.07Å; L491-F807 HydrophobicContact CD2-CE2 4.36Å; L491-F807 HydrophobicContact CD2-CZ 4.37Å; L491-L811 HydrophobicContact CD2-CD2 3.81Å
492	K	85.7	Confident	90.9	Very high	82 Å²	82	55.4 Å²	55.4	36%	0.357	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-42.2	176.7	-73.4	-72	173.6	-174.6	0	112.5	D463 Q488 K494 H495 I496 D497	D463-K492 IonicContact OD2-NZ 2.65Å; Q488-K492 WeakPolarHBondContact O-CG 3.43Å; Q488-K492 PolarHBondContact O-N 3.33Å; K492-K494 PolarHBondContact O-N 3.39Å; K492-H495 PolarHBondContact O-N 3.36Å; K492-I496 PolarHBondContact N-O 3.05Å; K492-D497 WeakPolarHBondContact CE-OD1 3.39Å; K492-D497 IonicContact NZ-OD1 3.77Å; K492-D497 PolarHBondContact NZ-OD1 3.31Å; K492-D497 IonicContact NZ-OD2 3.11Å; K492-D497 PolarHBondContact NZ-OD2 3.15Å
493	N	85.6	Confident	90.9	Very high	138 Å²	138	50.8 Å²	50.8	74%	0.738	23%	0.234	S	C	*	.	H	α-helix	trans	-64.3	-22.5	175.4	-71.5	-17	0	0	0	113.6	S489 W490 L491	S489-N493 VanDerWaalsContact O-CG 3.3Å; S489-N493 PolarHBondContact O-N 3.37Å; S489-N493 VanDerWaalsContact O-N 3.12Å; S489-N493 PolarHBondContact O-ND2 3.35Å; W490-N493 PolarHBondContact O-N 2.98Å; L491-N493 VanDerWaalsContact C-N 3.33Å; L491-N493 PolarHBondContact O-N 2.94Å
494	K	84.3	Confident	90.8	Very high	69 Å²	69	49.9 Å²	49.9	30%	0.3	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	11.7	175	-72.8	-69	-170.1	175.6	0	112.9	W490 L491 K492 I496 L818	W490-K494 HydrophobicContact CH2-CG 4.41Å; W490-K494 HydrophobicContact CZ2-CG 4.11Å; W490-K494 PolarHBondContact O-N 3.31Å; L491-K494 CarbonylContact O-C 3.18Å; L491-K494 WeakPolarHBondContact O-CA 3.21Å; L491-K494 PolarHBondContact O-N 3.41Å; K492-K494 PolarHBondContact O-N 3.39Å; K494-I496 VanDerWaalsContact C-N 3.3Å; K494-I496 HydrophobicContact CB-CD1 4.07Å; K494-I496 HydrophobicContact CB-CG1 4.37Å; K494-I496 PolarHBondContact O-N 3.44Å; K494-L818 WeakPolarHBondContact O-CD1 3.49Å
495	H	81.4	Confident	90.6	Very high	92 Å²	92	52.2 Å²	52.2	43%	0.426	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	45.9	-173.2	-59	-66.4	0	0	0	111.9	D463 Q464 L491 K492	D463-H495 CarbonylContact C-O 3.14Å; D463-H495 WeakPolarHBondContact CA-O 3.21Å; D463-H495 WeakPolarHBondContact OD1-CA 3.35Å; D463-H495 IonicContact OD1-CG 3.73Å; D463-H495 IonicContact OD1-ND1 3.18Å; D463-H495 PolarHBondContact OD1-ND1 3.08Å; Q464-H495 PolarHBondContact N-O 3.28Å; L491-H495 PolarHBondContact O-N 3Å; K492-H495 PolarHBondContact O-N 3.36Å
496	I	86.6	Confident	90.2	Very high	10 Å²	10	54.3 Å²	54.3	5%	0.051	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.3	174.1	-59.6	165.6	0	0	0	107.9	Q464 I466 L491 K492 K494 L811 L814	Q464-I496 CarbonylContact O-C 3.15Å; Q464-I496 WeakPolarHBondContact O-CA 3.06Å; I466-I496 HydrophobicContact CD1-CG2 4.24Å; L491-I496 CarbonylContact C-O 3.57Å; L491-I496 HydrophobicContact CB-CB 4.23Å; L491-I496 HydrophobicContact CB-CG2 4.49Å; L491-I496 HydrophobicContact CD2-CB 4.16Å; L491-I496 HydrophobicContact CD2-CD1 4.31Å; L491-I496 HydrophobicContact CD2-CG2 3.95Å; L491-I496 PolarHBondContact O-N 3.05Å; K492-I496 PolarHBondContact N-O 3.05Å; K494-I496 VanDerWaalsContact C-N 3.3Å; K494-I496 HydrophobicContact CB-CD1 4.07Å; K494-I496 HydrophobicContact CB-CG1 4.37Å; K494-I496 PolarHBondContact O-N 3.44Å; I496-L811 HydrophobicContact CD1-CD2 4.48Å; I496-L814 HydrophobicContact CD1-CD1 3.76Å; I496-L814 HydrophobicContact CG1-CD1 4.08Å
497	D	86.3	Confident	89.8	Confident	17 Å²	17	53.9 Å²	53.9	9%	0.091	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	85.2	177.5	-169.8	16.5	0	0	0	109.6	D463 Q464 V465 I466 K492 R499	D463-D497 HydrophobicContact CB-CB 3.85Å; Q464-D497 PolarHBondContact O-N 2.68Å; V465-D497 VanDerWaalsContact CA-O 3.31Å; V465-D497 WeakPolarHBondContact CA-O 3.42Å; V465-D497 HydrophobicContact CG2-CB 4.25Å; I466-D497 PolarHBondContact N-O 3.45Å; K492-D497 WeakPolarHBondContact CE-OD1 3.39Å; K492-D497 IonicContact NZ-OD1 3.77Å; K492-D497 PolarHBondContact NZ-OD1 3.31Å; K492-D497 IonicContact NZ-OD2 3.11Å; K492-D497 PolarHBondContact NZ-OD2 3.15Å; D497-R499 VanDerWaalsContact CG-NE 3.32Å; D497-R499 IonicContact OD1-NE 2.65Å; D497-R499 PolarHBondContact OD1-NE 2.95Å; D497-R499 IonicContact OD2-CZ 3.82Å; D497-R499 IonicContact OD2-NE 3.76Å; D497-R499 PolarHBondContact OD2-NE 2.99Å; D497-R499 IonicContact OD2-NH2 2.85Å; D497-R499 PolarHBondContact OD2-NH2 3.22Å
498	L	92	Very high	89.7	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	109.4	178.5	-167.8	162.8	0	0	0	109.5	I466 V468 L484 Q488 L491 V500 F807	I466-L498 HydrophobicContact CB-CB 4.45Å; I466-L498 HydrophobicContact CB-CG 4.12Å; I466-L498 HydrophobicContact CD1-CD1 4.26Å; I466-L498 HydrophobicContact CG2-CG 4.43Å; I466-L498 WeakPolarHBondContact O-CA 3.26Å; V468-L498 HydrophobicContact CG2-CD2 3.74Å; V468-L498 HydrophobicContact CG2-CG 4.04Å; L484-L498 HydrophobicContact CD1-CD2 3.93Å; L484-L498 HydrophobicContact CD2-CD1 3.54Å; L484-L498 HydrophobicContact CD2-CD2 3.67Å; L484-L498 HydrophobicContact CD2-CG 4.26Å; L484-L498 HydrophobicContact CG-CD2 4.3Å; Q488-L498 PolarHBondContact NE2-O 3.33Å; L491-L498 HydrophobicContact CD1-CB 3.77Å; L491-L498 HydrophobicContact CD1-CD1 4.16Å; L498-V500 HydrophobicContact CD2-CG2 4.4Å; L498-F807 HydrophobicContact CD1-CD2 4.5Å; L498-F807 HydrophobicContact CD1-CE2 3.94Å
499	R	91	Very high	89.6	Confident	57 Å²	57	49 Å²	49	22%	0.215	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126	-177.9	-57.3	179.4	-173.1	178.8	-0.6	109.6	I466 E467 V468 D497 C501	I466-R499 PolarHBondContact O-N 2.88Å; E467-R499 CarbonylContact C-O 3.58Å; E467-R499 WeakPolarHBondContact CA-O 3.44Å; V468-R499 PolarHBondContact N-O 2.71Å; D497-R499 VanDerWaalsContact CG-NE 3.32Å; D497-R499 IonicContact OD1-NE 2.65Å; D497-R499 PolarHBondContact OD1-NE 2.95Å; D497-R499 IonicContact OD2-CZ 3.82Å; D497-R499 IonicContact OD2-NE 3.76Å; D497-R499 PolarHBondContact OD2-NE 2.99Å; D497-R499 IonicContact OD2-NH2 2.85Å; D497-R499 PolarHBondContact OD2-NH2 3.22Å; R499-C501 PolarHBondContact O-N 2.92Å
500	V	94.7	Very high	89.7	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	100.4	170.3	-178.2	0	0	0	0	107.7	V468 L481 L484 L498 V503 G515 L516 L518	V468-V500 CarbonylContact O-C 3.58Å; V468-V500 WeakPolarHBondContact O-CA 3.43Å; L481-V500 HydrophobicContact CD2-CB 4.49Å; L481-V500 HydrophobicContact CD2-CG1 3.81Å; L481-V500 HydrophobicContact CD2-CG2 4.01Å; L484-V500 HydrophobicContact CD1-CG2 3.74Å; L498-V500 HydrophobicContact CD2-CG2 4.4Å; V500-V503 HydrophobicContact CG1-CG2 3.73Å; V500-G515 CarbonylContact O-C 3.57Å; V500-G515 WeakPolarHBondContact O-CA 3.47Å; V500-L516 HydrophobicContact CG1-CD1 4.33Å; V500-L516 WeakPolarHBondContact O-CB 3.48Å; V500-L516 WeakPolarHBondContact O-CG 3.35Å; V500-L516 PolarHBondContact O-N 2.72Å; V500-L518 HydrophobicContact CB-CD2 3.97Å; V500-L518 HydrophobicContact CG1-CD2 4.36Å; V500-L518 HydrophobicContact CG2-CD1 4.22Å; V500-L518 HydrophobicContact CG2-CD2 3.92Å
501	C	92.4	Very high	89.6	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-18.4	-175.3	-66.3	0	0	0	0	113.2	V468 F469 R499 T511 N512 L546	V468-C501 PolarHBondContact O-N 3.46Å; F469-C501 HydrophobicContact CD1-CB 4.46Å; F469-C501 HydrophobicContact CE1-CB 3.85Å; F469-C501 HydrophobicContact CE2-CB 4.23Å; F469-C501 HydrophobicContact CZ-CB 3.74Å; R499-C501 PolarHBondContact O-N 2.92Å; C501-T511 CarbonylContact O-C 3.6Å; C501-T511 VanDerWaalsContact O-CA 3.29Å; C501-T511 WeakPolarHBondContact O-CA 3.36Å; C501-N512 VanDerWaalsContact CA-O 3.26Å; C501-N512 WeakPolarHBondContact CA-O 3.3Å; C501-N512 PolarHBondContact O-N 3.25Å; C501-L546 HydrophobicContact CB-CD1 4.44Å
502	G	93.3	Very high	89.5	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	152	173.9	0	0	0	0	0	113.9	V468 F469 V470 L510	V468-G502 PolarHBondContact O-N 3.26Å; F469-G502 CarbonylContact C-O 3.55Å; F469-G502 WeakPolarHBondContact CA-O 3.26Å; V470-G502 PolarHBondContact N-O 3.49Å; G502-L510 CarbonylContact C-O 3.58Å; G502-L510 WeakPolarHBondContact CA-O 3.47Å
503	V	94.3	Very high	89.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	129.3	178.3	174.9	0	0	0	0	108.2	V470 V473 L481 V500 L510 L516 W521 L525	V470-V503 CarbonylContact O-C 3.58Å; V470-V503 WeakPolarHBondContact O-CA 3.38Å; V473-V503 HydrophobicContact CB-CG1 4.36Å; V473-V503 HydrophobicContact CG1-CG1 3.18Å; V473-V503 HydrophobicContact CG2-CG1 4.38Å; L481-V503 HydrophobicContact CD1-CG1 4.33Å; L481-V503 HydrophobicContact CD1-CG2 4.05Å; L481-V503 HydrophobicContact CD2-CG2 4.2Å; V500-V503 HydrophobicContact CG1-CG2 3.73Å; V503-L510 PolarHBondContact N-O 3.39Å; V503-L510 PolarHBondContact O-N 3.17Å; V503-L516 HydrophobicContact CB-CD1 4.09Å; V503-L516 HydrophobicContact CG2-CD1 3.68Å; V503-W521 HydrophobicContact CG1-CE3 3.97Å; V503-W521 HydrophobicContact CG1-CZ3 4.09Å; V503-L525 HydrophobicContact CG1-CD2 3.92Å
504	A	93.5	Very high	88.9	Confident	2 Å²	2	42 Å²	42	2%	0.017	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.6	-178.4	0	0	0	0	0	112.8	V470 I471 G472 A508 L509 F532	V470-A504 PolarHBondContact O-N 2.89Å; I471-A504 HydrophobicContact CG2-CB 4.4Å; G472-A504 PolarHBondContact N-O 3.05Å; A504-A508 CarbonylContact C-O 3.6Å; A504-A508 VanDerWaalsContact CA-O 3.3Å; A504-A508 WeakPolarHBondContact CA-O 3.41Å; A504-L509 HydrophobicContact CB-CB 4.44Å; A504-L509 HydrophobicContact CB-CD1 3.86Å; A504-F532 HydrophobicContact CB-CB 4.33Å; A504-F532 HydrophobicContact CB-CD2 3.7Å; A504-F532 HydrophobicContact CB-CG 4.39Å
505	N	91.2	Very high	89	Confident	50 Å²	50	39.6 Å²	39.6	27%	0.267	21%	0.207	S	C	.	.			trans	-127.1	-170.1	162.9	66	34.6	0	0	0	109.3	V473 K507 A508	V473-N505 HydrophobicContact CG2-CB 4.08Å; N505-K507 PolarHBondContact O-N 2.82Å; N505-K507 WeakPolarHBondContact OD1-CA 3.34Å; N505-K507 PolarHBondContact OD1-N 3.16Å; N505-A508 PolarHBondContact N-O 3.04Å; N505-A508 PolarHBondContact OD1-N 3.38Å
506	S	86.6	Confident	89.4	Confident	115 Å²	115	35.8 Å²	35.8	80%	0.804	19%	0.19	S	C	*	.	S	Bend	trans	-65.9	-15.9	-179.5	54.4	0	0	0	0	114.6
507	K	86.8	Confident	89.6	Confident	170 Å²	170	39 Å²	39	74%	0.739	21%	0.208	S	C	*	.	S	Bend	trans	-113.2	-30.3	-173.6	-59.5	-179.2	-177.8	178	0	113.5	N505	N505-K507 PolarHBondContact O-N 2.82Å; N505-K507 WeakPolarHBondContact OD1-CA 3.34Å; N505-K507 PolarHBondContact OD1-N 3.16Å
508	A	91	Very high	89.8	Confident	4 Å²	4	39 Å²	39	3%	0.033	21%	0.207	C	C	.	.			trans	-142.7	145.3	-165.9	0	0	0	0	0	112.3	A504 N505 L525 A528 E530	A504-A508 CarbonylContact C-O 3.6Å; A504-A508 VanDerWaalsContact CA-O 3.3Å; A504-A508 WeakPolarHBondContact CA-O 3.41Å; N505-A508 PolarHBondContact N-O 3.04Å; N505-A508 PolarHBondContact OD1-N 3.38Å; A508-L525 HydrophobicContact CB-CD1 3.89Å; A508-L525 HydrophobicContact CB-CG 4.45Å; A508-A528 HydrophobicContact CB-CB 4.12Å; A508-A528 WeakPolarHBondContact CB-O 3.49Å; A508-E530 CarbonylContact C-O 3.41Å; A508-E530 VanDerWaalsContact C-O 3.31Å; A508-E530 WeakPolarHBondContact CA-O 3.44Å
509	L	91.3	Very high	89.7	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	114.4	170.8	168.8	63.8	0	0	0	109	A504 T511 E530 L537	A504-L509 HydrophobicContact CB-CB 4.44Å; A504-L509 HydrophobicContact CB-CD1 3.86Å; L509-T511 HydrophobicContact CD1-CG2 3.71Å; L509-T511 HydrophobicContact CD2-CG2 4.23Å; L509-T511 HydrophobicContact CG-CG2 3.83Å; L509-E530 PolarHBondContact N-O 2.85Å; L509-L537 HydrophobicContact CD1-CD2 4.27Å; L509-L537 HydrophobicContact CD2-CD2 4.22Å
510	L	92.1	Very high	89.6	Confident	24 Å²	24	45.2 Å²	45.2	13%	0.126	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.8	171.8	179.8	67.2	0	0	0	109	G502 V503 L516 E524 L525 A528	G502-L510 CarbonylContact C-O 3.58Å; G502-L510 WeakPolarHBondContact CA-O 3.47Å; V503-L510 PolarHBondContact N-O 3.39Å; V503-L510 PolarHBondContact O-N 3.17Å; L510-L516 HydrophobicContact CD1-CD2 4.32Å; L510-L516 HydrophobicContact CD2-CD1 4.04Å; L510-L516 HydrophobicContact CD2-CD2 3.76Å; L510-L516 HydrophobicContact CG-CD1 4.13Å; L510-L516 HydrophobicContact CG-CD2 3.65Å; L510-E524 HydrophobicContact CD1-CB 4.09Å; L510-E524 HydrophobicContact CD2-CB 3.57Å; L510-E524 HydrophobicContact CG-CB 4.49Å; L510-L525 HydrophobicContact CB-CB 4.47Å; L510-L525 HydrophobicContact CB-CD1 3.75Å; L510-L525 HydrophobicContact CD2-CB 4.32Å; L510-A528 HydrophobicContact CB-CB 4.46Å
511	T	91	Very high	89.4	Confident	32 Å²	32	45.9 Å²	45.9	20%	0.196	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	133.8	-178.6	56	0	0	0	0	111.3	C501 L509 R536 L537 L540	C501-T511 CarbonylContact O-C 3.6Å; C501-T511 VanDerWaalsContact O-CA 3.29Å; C501-T511 WeakPolarHBondContact O-CA 3.36Å; L509-T511 HydrophobicContact CD1-CG2 3.71Å; L509-T511 HydrophobicContact CD2-CG2 4.23Å; L509-T511 HydrophobicContact CG-CG2 3.83Å; T511-R536 PolarHBondContact OG1-NH2 3.32Å; T511-L537 HydrophobicContact CG2-CD2 4.31Å; T511-L540 HydrophobicContact CG2-CD1 3.65Å
512	N	88.1	Confident	89.3	Confident	64 Å²	64	50.5 Å²	50.5	34%	0.342	26%	0.264	S	S	.	.			trans	-142.6	116.4	167	-176.8	-9.3	0	0	0	109.1	C501 H514 G515 L516	C501-N512 VanDerWaalsContact CA-O 3.26Å; C501-N512 WeakPolarHBondContact CA-O 3.3Å; C501-N512 PolarHBondContact O-N 3.25Å; N512-H514 PolarHBondContact O-N 3.07Å; N512-H514 PolarHBondContact OD1-N 2.62Å; N512-G515 PolarHBondContact ND2-O 3.04Å; N512-G515 VanDerWaalsContact ND2-O 3.11Å; N512-G515 PolarHBondContact O-N 3.04Å; N512-L516 HydrophobicContact CB-CD2 3.44Å; N512-L516 VanDerWaalsContact CB-CD2 3.44Å; N512-L516 HydrophobicContact CB-CG 4.05Å
513	V	78.9	Confident	89.1	Confident	22 Å²	22	57 Å²	57	13%	0.133	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.6	-176.2	-68.6	0	0	0	0	113.5	G515 L540 Y544	V513-G515 VanDerWaalsContact C-N 3.27Å; V513-L540 HydrophobicContact CG1-CD2 4.4Å; V513-Y544 HydrophobicContact CB-CD1 3.76Å; V513-Y544 HydrophobicContact CB-CD2 4.43Å; V513-Y544 HydrophobicContact CB-CE1 4.2Å; V513-Y544 HydrophobicContact CB-CG 3.87Å; V513-Y544 HydrophobicContact CG1-CD1 3.75Å; V513-Y544 HydrophobicContact CG1-CD2 3.51Å; V513-Y544 HydrophobicContact CG1-CE1 4.12Å; V513-Y544 HydrophobicContact CG1-CE2 3.92Å; V513-Y544 HydrophobicContact CG1-CG 3.4Å; V513-Y544 VanDerWaalsContact CG1-CG 3.4Å; V513-Y544 HydrophobicContact CG2-CD1 3.41Å; V513-Y544 VanDerWaalsContact CG2-CD1 3.41Å; V513-Y544 HydrophobicContact CG2-CE1 3.41Å; V513-Y544 VanDerWaalsContact CG2-CE1 3.41Å; V513-Y544 HydrophobicContact CG2-CG 4.02Å
514	H	79.8	Confident	88.9	Confident	143 Å²	143	60 Å²	60	66%	0.662	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.5	175.4	-61	-66.3	0	0	0	112.9	N512	N512-H514 PolarHBondContact O-N 3.07Å; N512-H514 PolarHBondContact OD1-N 2.62Å
515	G	86.8	Confident	88.8	Confident	18 Å²	18	60.2 Å²	60.2	19%	0.186	31%	0.309	C	S	.	.			trans	101.2	134.5	-172.8	0	0	0	0	0	111.4	V500 N512 V513	V500-G515 CarbonylContact O-C 3.57Å; V500-G515 WeakPolarHBondContact O-CA 3.47Å; N512-G515 PolarHBondContact ND2-O 3.04Å; N512-G515 VanDerWaalsContact ND2-O 3.11Å; N512-G515 PolarHBondContact O-N 3.04Å; V513-G515 VanDerWaalsContact C-N 3.27Å
516	L	90.6	Very high	88.6	Confident	13 Å²	13	62 Å²	62	7%	0.068	33%	0.331	C	S	.	.			trans	-74.2	145.4	172.9	-67	170.8	0	0	0	110.3	V500 V503 L510 N512 L518	V500-L516 HydrophobicContact CG1-CD1 4.33Å; V500-L516 WeakPolarHBondContact O-CB 3.48Å; V500-L516 WeakPolarHBondContact O-CG 3.35Å; V500-L516 PolarHBondContact O-N 2.72Å; V503-L516 HydrophobicContact CB-CD1 4.09Å; V503-L516 HydrophobicContact CG2-CD1 3.68Å; L510-L516 HydrophobicContact CD1-CD2 4.32Å; L510-L516 HydrophobicContact CD2-CD1 4.04Å; L510-L516 HydrophobicContact CD2-CD2 3.76Å; L510-L516 HydrophobicContact CG-CD1 4.13Å; L510-L516 HydrophobicContact CG-CD2 3.65Å; N512-L516 HydrophobicContact CB-CD2 3.44Å; N512-L516 VanDerWaalsContact CB-CD2 3.44Å; N512-L516 HydrophobicContact CB-CG 4.05Å; L516-L518 PolarHBondContact O-N 3.38Å
517	N	89.9	Confident	88.7	Confident	77 Å²	77	63.8 Å²	63.8	41%	0.412	33%	0.326	S	S	.	.			trans	-72.2	114.2	169.3	-178.9	2.9	0	0	0	109	E519 N520 W521	N517-E519 PolarHBondContact O-N 3.4Å; N517-E519 WeakPolarHBondContact OD1-CB 3.44Å; N517-E519 PolarHBondContact OD1-N 3.05Å; N517-N520 VanDerWaalsContact CB-OD1 3.24Å; N517-N520 WeakPolarHBondContact CB-OD1 3.45Å; N517-N520 VanDerWaalsContact CG-OD1 3.3Å; N517-N520 PolarHBondContact ND2-OD1 3.12Å; N517-N520 PolarHBondContact O-OD1 2.91Å; N517-W521 PolarHBondContact O-N 2.78Å
518	L	90.2	Very high	88.7	Confident	16 Å²	16	56.9 Å²	56.9	8%	0.084	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.5	-178.6	-59.6	-178.3	0	0	0	113.2	L481 L484 K485 V500 L516	L481-L518 HydrophobicContact CD2-CD2 4.12Å; L484-L518 HydrophobicContact CB-CD1 4.25Å; K485-L518 HydrophobicContact CB-CB 3.91Å; K485-L518 HydrophobicContact CB-CD1 3.93Å; K485-L518 HydrophobicContact CD-CB 4.28Å; K485-L518 HydrophobicContact CG-CB 4.04Å; V500-L518 HydrophobicContact CB-CD2 3.97Å; V500-L518 HydrophobicContact CG1-CD2 4.36Å; V500-L518 HydrophobicContact CG2-CD1 4.22Å; V500-L518 HydrophobicContact CG2-CD2 3.92Å; L516-L518 PolarHBondContact O-N 3.38Å
519	E	89.7	Confident	88.3	Confident	144 Å²	144	65.9 Å²	65.9	67%	0.673	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-33.8	174.1	-65.2	-173.9	163.9	0	0	113.6	N517	N517-E519 PolarHBondContact O-N 3.4Å; N517-E519 WeakPolarHBondContact OD1-CB 3.44Å; N517-E519 PolarHBondContact OD1-N 3.05Å
520	N	88.7	Confident	87.9	Confident	45 Å²	45	70.5 Å²	70.5	24%	0.241	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	12.9	-170.1	68.5	-26.8	0	0	0	113.5	N517 Q522 E523 E524	N517-N520 VanDerWaalsContact CB-OD1 3.24Å; N517-N520 WeakPolarHBondContact CB-OD1 3.45Å; N517-N520 VanDerWaalsContact CG-OD1 3.3Å; N517-N520 PolarHBondContact ND2-OD1 3.12Å; N517-N520 PolarHBondContact O-OD1 2.91Å; N520-Q522 PolarHBondContact O-N 3.05Å; N520-Q522 VanDerWaalsContact O-N 3.09Å; N520-E523 PolarHBondContact O-N 2.88Å; N520-E524 PolarHBondContact ND2-OE1 3.34Å; N520-E524 PolarHBondContact O-N 3.32Å; N520-E524 PolarHBondContact OD1-OE1 2.8Å
521	W	90.8	Very high	87.6	Confident	17 Å²	17	73.5 Å²	73.5	6%	0.064	38%	0.382	C	S	.	.	H	α-helix	trans	-57	-29.7	-175.4	71	-92.7	0	0	0	113.4	V473 L481 V503 N517 L525	V473-W521 HydrophobicContact CB-CH2 3.67Å; V473-W521 HydrophobicContact CB-CZ3 3.76Å; V473-W521 HydrophobicContact CG1-CH2 3.85Å; V473-W521 HydrophobicContact CG1-CZ3 3.72Å; V473-W521 HydrophobicContact CG2-CH2 4.2Å; V473-W521 HydrophobicContact CG2-CZ3 3.91Å; L481-W521 HydrophobicContact CB-CZ2 4.48Å; L481-W521 HydrophobicContact CD1-CD2 3.81Å; L481-W521 HydrophobicContact CD1-CE3 4.08Å; L481-W521 HydrophobicContact CD1-CH2 3.88Å; L481-W521 HydrophobicContact CD1-CZ2 3.55Å; L481-W521 HydrophobicContact CD1-CZ3 4.12Å; V503-W521 HydrophobicContact CG1-CE3 3.97Å; V503-W521 HydrophobicContact CG1-CZ3 4.09Å; N517-W521 PolarHBondContact O-N 2.78Å; W521-L525 HydrophobicContact CE3-CB 4.49Å; W521-L525 HydrophobicContact CE3-CD2 4.22Å; W521-L525 HydrophobicContact CZ3-CD2 3.88Å; W521-L525 WeakPolarHBondContact O-CB 3.26Å; W521-L525 PolarHBondContact O-N 3.24Å
522	Q	90.7	Very high	87.3	Confident	98 Å²	98	74 Å²	74	46%	0.458	38%	0.381	S	S	.	.	H	α-helix	trans	-63.9	-43.1	177.9	-63.6	89.2	-22.4	0	0	111.7	N520 A526	N520-Q522 PolarHBondContact O-N 3.05Å; N520-Q522 VanDerWaalsContact O-N 3.09Å; Q522-A526 WeakPolarHBondContact O-CB 3.46Å; Q522-A526 PolarHBondContact O-N 3.41Å
523	E	89.7	Confident	87.1	Confident	138 Å²	138	75.2 Å²	75.2	65%	0.645	39%	0.388	S	S	*	.	H	α-helix	trans	-70.4	-43.5	179.6	-63.5	-178	175.5	0	0	110.6	N520 L525 A526 Q527	N520-E523 PolarHBondContact O-N 2.88Å; E523-L525 VanDerWaalsContact C-N 3.35Å; E523-L525 PolarHBondContact O-N 2.9Å; E523-A526 PolarHBondContact O-N 2.88Å; E523-Q527 WeakPolarHBondContact O-CG 3.47Å; E523-Q527 PolarHBondContact O-N 3.14Å
524	E	90	Very high	87.2	Confident	63 Å²	63	75.1 Å²	75.1	29%	0.294	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-40.2	176.4	-67.7	-173.2	-175.9	0	0	111.8	L510 N520 A526 Q527 A528	L510-E524 HydrophobicContact CD1-CB 4.09Å; L510-E524 HydrophobicContact CD2-CB 3.57Å; L510-E524 HydrophobicContact CG-CB 4.49Å; N520-E524 PolarHBondContact ND2-OE1 3.34Å; N520-E524 PolarHBondContact O-N 3.32Å; N520-E524 PolarHBondContact OD1-OE1 2.8Å; E524-A526 VanDerWaalsContact C-N 3.33Å; E524-A526 PolarHBondContact O-N 3.25Å; E524-Q527 PolarHBondContact O-N 2.96Å; E524-A528 PolarHBondContact O-N 2.79Å; E524-A528 VanDerWaalsContact O-N 3.09Å
525	L	90.1	Very high	87.4	Confident	7 Å²	7	69.7 Å²	69.7	4%	0.037	37%	0.369	C	S	.	.	H	α-helix	trans	-67.3	-35	176.7	-177.3	66.7	0	0	0	111.7	V473 V503 A508 L510 W521 E523 Q527 A528	V473-L525 HydrophobicContact CG2-CD2 3.67Å; V503-L525 HydrophobicContact CG1-CD2 3.92Å; A508-L525 HydrophobicContact CB-CD1 3.89Å; A508-L525 HydrophobicContact CB-CG 4.45Å; L510-L525 HydrophobicContact CB-CB 4.47Å; L510-L525 HydrophobicContact CB-CD1 3.75Å; L510-L525 HydrophobicContact CD2-CB 4.32Å; W521-L525 HydrophobicContact CE3-CB 4.49Å; W521-L525 HydrophobicContact CE3-CD2 4.22Å; W521-L525 HydrophobicContact CZ3-CD2 3.88Å; W521-L525 WeakPolarHBondContact O-CB 3.26Å; W521-L525 PolarHBondContact O-N 3.24Å; E523-L525 VanDerWaalsContact C-N 3.35Å; E523-L525 PolarHBondContact O-N 2.9Å; L525-Q527 PolarHBondContact O-N 3.18Å; L525-A528 PolarHBondContact O-N 3.32Å
526	A	88.9	Confident	87.3	Confident	88 Å²	88	72.1 Å²	72.1	73%	0.727	37%	0.373	S	S	*	.	H	α-helix	trans	-66.3	-26.9	175.2	0	0	0	0	0	112.6	Q522 E523 E524	Q522-A526 WeakPolarHBondContact O-CB 3.46Å; Q522-A526 PolarHBondContact O-N 3.41Å; E523-A526 PolarHBondContact O-N 2.88Å; E524-A526 VanDerWaalsContact C-N 3.33Å; E524-A526 PolarHBondContact O-N 3.25Å
527	Q	88.6	Confident	87	Confident	151 Å²	151	71.6 Å²	71.6	71%	0.706	37%	0.37	S	S	*	.	H	α-helix	trans	-84.4	-21.9	175.2	-65.8	179.4	18.8	0	0	113.2	E523 E524 L525	E523-Q527 WeakPolarHBondContact O-CG 3.47Å; E523-Q527 PolarHBondContact O-N 3.14Å; E524-Q527 PolarHBondContact O-N 2.96Å; L525-Q527 PolarHBondContact O-N 3.18Å
528	A	86.9	Confident	86.6	Confident	25 Å²	25	69.1 Å²	69.1	21%	0.207	36%	0.357	C	S	.	.			trans	-67.3	132.1	176.1	0	0	0	0	0	111.1	A508 L510 E524 L525	A508-A528 HydrophobicContact CB-CB 4.12Å; A508-A528 WeakPolarHBondContact CB-O 3.49Å; L510-A528 HydrophobicContact CB-CB 4.46Å; E524-A528 PolarHBondContact O-N 2.79Å; E524-A528 VanDerWaalsContact O-N 3.09Å; L525-A528 PolarHBondContact O-N 3.32Å
529	K	81.3	Confident	86.3	Confident	193 Å²	193	77.3 Å²	77.3	84%	0.839	39%	0.386	S	S	*	.			trans	-111.2	-7.3	-175	-64.8	-177.8	-178.8	177.2	0	114.3
530	E	83.8	Confident	85.9	Confident	102 Å²	102	71.5 Å²	71.5	48%	0.477	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-91	133.9	-172.9	-66	-171.1	-174.2	0	0	111.4	A508 L509 R536	A508-E530 CarbonylContact C-O 3.41Å; A508-E530 VanDerWaalsContact C-O 3.31Å; A508-E530 WeakPolarHBondContact CA-O 3.44Å; L509-E530 PolarHBondContact N-O 2.85Å; E530-R536 IonicContact OE2-CZ 3.1Å; E530-R536 IonicContact OE2-NE 2.79Å; E530-R536 PolarHBondContact OE2-NE 3.37Å; E530-R536 IonicContact OE2-NH1 2.77Å; E530-R536 PolarHBondContact OE2-NH1 2.95Å; E530-R536 IonicContact OE2-NH2 3.48Å
531	P	85	Confident	85.3	Confident	88 Å²	88	70.2 Å²	70.2	57%	0.571	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-70.9	157.3	178.4	30.4	-35.2	0	0	0	111.8	N533	P531-N533 PolarHBondContact O-N 2.8Å
532	F	84.1	Confident	84.4	Confident	42 Å²	42	74.9 Å²	74.9	18%	0.184	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-57.8	128	171	176.3	-97.3	0	0	0	111.2	I471 A504 L537 F567	I471-F532 HydrophobicContact CD1-CD2 4.43Å; I471-F532 HydrophobicContact CD1-CE1 4.31Å; I471-F532 HydrophobicContact CD1-CE2 3.45Å; I471-F532 VanDerWaalsContact CD1-CE2 3.45Å; I471-F532 HydrophobicContact CD1-CZ 3.39Å; I471-F532 HydrophobicContact CG1-CD2 4.38Å; I471-F532 HydrophobicContact CG1-CE2 3.72Å; I471-F532 HydrophobicContact CG1-CZ 4.18Å; I471-F532 HydrophobicContact CG2-CE2 4.45Å; A504-F532 HydrophobicContact CB-CB 4.33Å; A504-F532 HydrophobicContact CB-CD2 3.7Å; A504-F532 HydrophobicContact CB-CG 4.39Å; F532-L537 HydrophobicContact CE2-CD1 3.63Å; F532-L537 HydrophobicContact CE2-CG 4.46Å; F532-L537 HydrophobicContact CZ-CD1 4.19Å; F532-F567 HydrophobicContact CZ-CE1 4.32Å; F532-F567 AromaticContact CZ-CZ 3.94Å; F532-F567 HydrophobicContact CZ-CZ 3.94Å
533	N	85.6	Confident	83.5	Confident	89 Å²	89	76 Å²	76	48%	0.476	38%	0.38	S	S	.	.			trans	-143.9	119.9	177.4	-174.7	-78.3	0	0	0	110.5	P531 G535 R536 L537	P531-N533 PolarHBondContact O-N 2.8Å; N533-G535 VanDerWaalsContact C-N 3.32Å; N533-G535 PolarHBondContact O-N 3.11Å; N533-G535 VanDerWaalsContact OD1-CA 3.28Å; N533-G535 WeakPolarHBondContact OD1-CA 3.49Å; N533-G535 PolarHBondContact OD1-N 2.85Å; N533-R536 HydrophobicContact CB-CB 4.24Å; N533-R536 WeakPolarHBondContact O-CB 3.5Å; N533-R536 PolarHBondContact O-N 2.87Å; N533-R536 VanDerWaalsContact O-N 3.11Å; N533-R536 PolarHBondContact OD1-N 3.45Å; N533-R536 VanDerWaalsContact OD1-N 3.11Å; N533-L537 PolarHBondContact O-N 3.38Å
534	L	79.9	Confident	82.5	Confident	21 Å²	21	74.1 Å²	74.1	11%	0.11	37%	0.367	C	S	.	.	H	α-helix	trans	-55.3	-45	177.7	164.6	64.4	0	0	0	112.3	R536 L537 I538 Q563 D566 F567	L534-R536 PolarHBondContact O-N 3.19Å; L534-L537 PolarHBondContact O-N 3.23Å; L534-I538 HydrophobicContact CD1-CD1 3.66Å; L534-I538 HydrophobicContact CD1-CG1 3.79Å; L534-I538 HydrophobicContact CD2-CD1 4.29Å; L534-I538 HydrophobicContact CG-CD1 3.63Å; L534-I538 HydrophobicContact CG-CG1 4.24Å; L534-I538 WeakPolarHBondContact O-CG1 3.31Å; L534-I538 PolarHBondContact O-N 3.37Å; L534-Q563 VanDerWaalsContact CB-OE1 3.28Å; L534-D566 HydrophobicContact CD2-CB 3.86Å; L534-F567 HydrophobicContact CB-CE1 4.38Å; L534-F567 HydrophobicContact CD1-CD1 3.27Å; L534-F567 HydrophobicContact CD1-CE1 3.19Å; L534-F567 HydrophobicContact CD1-CG 4.43Å; L534-F567 HydrophobicContact CD1-CZ 4.26Å; L534-F567 HydrophobicContact CG-CE1 4.25Å
535	G	83.8	Confident	81.3	Confident	29 Å²	29	72.9 Å²	72.9	30%	0.299	36%	0.361	S	S	.	.	H	α-helix	trans	-57.5	-32.8	178.5	0	0	0	0	0	113.3	N533 R539	N533-G535 VanDerWaalsContact C-N 3.32Å; N533-G535 PolarHBondContact O-N 3.11Å; N533-G535 VanDerWaalsContact OD1-CA 3.28Å; N533-G535 WeakPolarHBondContact OD1-CA 3.49Å; N533-G535 PolarHBondContact OD1-N 2.85Å; G535-R539 WeakPolarHBondContact O-CB 3.36Å; G535-R539 VanDerWaalsContact O-CG 3.24Å; G535-R539 WeakPolarHBondContact O-CG 3.29Å; G535-R539 PolarHBondContact O-N 3.26Å
536	R	84.1	Confident	80.5	Confident	69 Å²	69	73.2 Å²	73.2	26%	0.26	36%	0.363	S	S	.	.	H	α-helix	trans	-70.2	-43.8	174	-173.4	177.8	173.9	-148.8	-7.8	111.9	T511 E530 N533 L534 R539 L540	T511-R536 PolarHBondContact OG1-NH2 3.32Å; E530-R536 IonicContact OE2-CZ 3.1Å; E530-R536 IonicContact OE2-NE 2.79Å; E530-R536 PolarHBondContact OE2-NE 3.37Å; E530-R536 IonicContact OE2-NH1 2.77Å; E530-R536 PolarHBondContact OE2-NH1 2.95Å; E530-R536 IonicContact OE2-NH2 3.48Å; N533-R536 HydrophobicContact CB-CB 4.24Å; N533-R536 WeakPolarHBondContact O-CB 3.5Å; N533-R536 PolarHBondContact O-N 2.87Å; N533-R536 VanDerWaalsContact O-N 3.11Å; N533-R536 PolarHBondContact OD1-N 3.45Å; N533-R536 VanDerWaalsContact OD1-N 3.11Å; L534-R536 PolarHBondContact O-N 3.19Å; R536-R539 PolarHBondContact O-N 3.3Å; R536-L540 HydrophobicContact CG-CD1 4.4Å; R536-L540 WeakPolarHBondContact O-CG 3.39Å; R536-L540 PolarHBondContact O-N 3.19Å
537	L	85.1	Confident	79.6	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-43	175.7	-68	-171.3	0	0	0	111.7	F469 L509 T511 F532 N533 L534 R539 L540 V541 I551 F572	F469-L537 HydrophobicContact CB-CD1 4.46Å; F469-L537 HydrophobicContact CD1-CD1 4.34Å; F469-L537 HydrophobicContact CD1-CD2 3.54Å; F469-L537 HydrophobicContact CE1-CD2 3.63Å; F469-L537 HydrophobicContact CG-CD1 4.44Å; F469-L537 HydrophobicContact CG-CD2 4.37Å; F469-L537 HydrophobicContact CZ-CD2 4.5Å; L509-L537 HydrophobicContact CD1-CD2 4.27Å; L509-L537 HydrophobicContact CD2-CD2 4.22Å; T511-L537 HydrophobicContact CG2-CD2 4.31Å; F532-L537 HydrophobicContact CE2-CD1 3.63Å; F532-L537 HydrophobicContact CE2-CG 4.46Å; F532-L537 HydrophobicContact CZ-CD1 4.19Å; N533-L537 PolarHBondContact O-N 3.38Å; L534-L537 PolarHBondContact O-N 3.23Å; L537-R539 VanDerWaalsContact C-N 3.32Å; L537-R539 PolarHBondContact O-N 2.95Å; L537-L540 HydrophobicContact CD2-CD1 4.43Å; L537-L540 PolarHBondContact O-N 3.42Å; L537-V541 WeakPolarHBondContact O-CG2 3.24Å; L537-V541 PolarHBondContact O-N 2.81Å; L537-I551 HydrophobicContact CD1-CD1 3.93Å; L537-F572 HydrophobicContact CB-CZ 4.28Å
538	I	82.6	Confident	79.4	Confident	26 Å²	26	62.4 Å²	62.4	13%	0.133	30%	0.298	C	S	.	.	H	α-helix	trans	-58.2	-45.9	173.9	-65.6	165.3	0	0	0	110.3	L534 V541 K542 E570 F572	L534-I538 HydrophobicContact CD1-CD1 3.66Å; L534-I538 HydrophobicContact CD1-CG1 3.79Å; L534-I538 HydrophobicContact CD2-CD1 4.29Å; L534-I538 HydrophobicContact CG-CD1 3.63Å; L534-I538 HydrophobicContact CG-CG1 4.24Å; L534-I538 WeakPolarHBondContact O-CG1 3.31Å; L534-I538 PolarHBondContact O-N 3.37Å; I538-V541 PolarHBondContact O-N 3.11Å; I538-K542 HydrophobicContact CG2-CD 3.83Å; I538-K542 HydrophobicContact CG2-CG 4.42Å; I538-K542 WeakPolarHBondContact O-CB 3.41Å; I538-K542 WeakPolarHBondContact O-CG 3.38Å; I538-K542 PolarHBondContact O-N 3.12Å; I538-E570 HydrophobicContact CD1-CB 4.38Å; I538-E570 HydrophobicContact CD1-CG 3.66Å; I538-E570 HydrophobicContact CG1-CB 4.09Å; I538-E570 HydrophobicContact CG1-CG 3.91Å; I538-E570 VanDerWaalsContact CG2-OE2 3.31Å; I538-E570 WeakPolarHBondContact CG2-OE2 3.28Å; I538-F572 HydrophobicContact CG1-CE2 4.29Å
539	R	83.2	Confident	79.6	Confident	187 Å²	187	61.3 Å²	61.3	71%	0.706	29%	0.289	S	S	*	.	H	α-helix	trans	-60.9	-45.6	176.6	-77.4	174	-171.6	-177.4	3.3	111.8	G535 R536 L537 V541 K542 E543	G535-R539 WeakPolarHBondContact O-CB 3.36Å; G535-R539 VanDerWaalsContact O-CG 3.24Å; G535-R539 WeakPolarHBondContact O-CG 3.29Å; G535-R539 PolarHBondContact O-N 3.26Å; R536-R539 PolarHBondContact O-N 3.3Å; L537-R539 VanDerWaalsContact C-N 3.32Å; L537-R539 PolarHBondContact O-N 2.95Å; R539-V541 PolarHBondContact O-N 3.48Å; R539-K542 PolarHBondContact O-N 2.97Å; R539-E543 WeakPolarHBondContact O-CB 3.47Å; R539-E543 PolarHBondContact O-N 3.42Å
540	L	80.3	Confident	80.3	Confident	22 Å²	22	52.1 Å²	52.1	12%	0.115	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-43.8	177.5	-74.8	171.1	0	0	0	111.9	T511 V513 R536 L537 K542 E543 Y544	T511-L540 HydrophobicContact CG2-CD1 3.65Å; V513-L540 HydrophobicContact CG1-CD2 4.4Å; R536-L540 HydrophobicContact CG-CD1 4.4Å; R536-L540 WeakPolarHBondContact O-CG 3.39Å; R536-L540 PolarHBondContact O-N 3.19Å; L537-L540 HydrophobicContact CD2-CD1 4.43Å; L537-L540 PolarHBondContact O-N 3.42Å; L540-K542 VanDerWaalsContact C-N 3.32Å; L540-K542 PolarHBondContact O-N 2.97Å; L540-E543 PolarHBondContact O-N 3.01Å; L540-Y544 HydrophobicContact CD2-CD2 3.99Å; L540-Y544 HydrophobicContact CD2-CE2 3.74Å; L540-Y544 WeakPolarHBondContact O-CB 3.46Å; L540-Y544 WeakPolarHBondContact O-CD2 3.04Å; L540-Y544 PolarHBondContact O-N 2.93Å
541	V	76.5	Confident	80.9	Confident	18 Å²	18	47.2 Å²	47.2	11%	0.109	23%	0.226	C	C	.	.	H	α-helix	trans	-61.8	-42.3	175	169.3	0	0	0	0	111.1	F469 L537 I538 R539 H545 L546 P549 F572	F469-V541 HydrophobicContact CE2-CG2 4.25Å; F469-V541 HydrophobicContact CZ-CG2 4.46Å; L537-V541 WeakPolarHBondContact O-CG2 3.24Å; L537-V541 PolarHBondContact O-N 2.81Å; I538-V541 PolarHBondContact O-N 3.11Å; R539-V541 PolarHBondContact O-N 3.48Å; V541-H545 WeakPolarHBondContact O-CA 3.44Å; V541-H545 PolarHBondContact O-N 2.98Å; V541-L546 HydrophobicContact CG1-CB 4.48Å; V541-L546 HydrophobicContact CG2-CB 4.35Å; V541-L546 HydrophobicContact CG2-CD1 3.96Å; V541-L546 HydrophobicContact CG2-CG 4.31Å; V541-L546 PolarHBondContact O-N 3.3Å; V541-P549 HydrophobicContact CG1-CG 4.21Å; V541-P549 HydrophobicContact CG2-CB 4.02Å; V541-P549 HydrophobicContact CG2-CG 4.39Å; V541-F572 HydrophobicContact CB-CZ 4.09Å; V541-F572 HydrophobicContact CG2-CE1 3.52Å; V541-F572 HydrophobicContact CG2-CE2 4.23Å; V541-F572 HydrophobicContact CG2-CZ 3.32Å
542	K	71.5	Confident	81.5	Confident	115 Å²	115	43 Å²	43	50%	0.5	20%	0.199	S	C	.	.	H	α-helix	trans	-71.2	-36.9	179.1	-73.1	177.7	-177.1	168.7	0	113	I538 R539 L540 H545 E570	I538-K542 HydrophobicContact CG2-CD 3.83Å; I538-K542 HydrophobicContact CG2-CG 4.42Å; I538-K542 WeakPolarHBondContact O-CB 3.41Å; I538-K542 WeakPolarHBondContact O-CG 3.38Å; I538-K542 PolarHBondContact O-N 3.12Å; R539-K542 PolarHBondContact O-N 2.97Å; L540-K542 VanDerWaalsContact C-N 3.32Å; L540-K542 PolarHBondContact O-N 2.97Å; K542-H545 PolarHBondContact O-CD2 3.01Å; K542-H545 PolarHBondContact O-CE1 3.18Å; K542-H545 PolarHBondContact O-ND1 3.09Å; K542-H545 PolarHBondContact O-NE2 2.74Å; K542-H545 VanDerWaalsContact O-NE2 3.17Å; K542-E570 VanDerWaalsContact CE-OE2 3.29Å; K542-E570 WeakPolarHBondContact CE-OE2 3.43Å; K542-E570 IonicContact NZ-OE2 3.74Å; K542-E570 PolarHBondContact NZ-OE2 3.29Å
543	E	72.8	Confident	82.1	Confident	122 Å²	122	41 Å²	41	57%	0.57	19%	0.19	S	C	*	.	H	α-helix	trans	-77.4	-41.1	-177.8	-176.7	-179.8	-179.8	0	0	112	R539 L540 H545	R539-E543 WeakPolarHBondContact O-CB 3.47Å; R539-E543 PolarHBondContact O-N 3.42Å; L540-E543 PolarHBondContact O-N 3.01Å; E543-H545 PolarHBondContact O-CD2 3.25Å; E543-H545 VanDerWaalsContact O-CD2 3.26Å
544	Y	68.3	Low	82.5	Confident	99 Å²	99	37.7 Å²	37.7	39%	0.388	17%	0.173	S	C	.	.	H	α-helix	trans	-96.8	-8.9	-178.5	-66.7	-91.9	0	0	0	113.2	V513 L540	V513-Y544 HydrophobicContact CB-CD1 3.76Å; V513-Y544 HydrophobicContact CB-CD2 4.43Å; V513-Y544 HydrophobicContact CB-CE1 4.2Å; V513-Y544 HydrophobicContact CB-CG 3.87Å; V513-Y544 HydrophobicContact CG1-CD1 3.75Å; V513-Y544 HydrophobicContact CG1-CD2 3.51Å; V513-Y544 HydrophobicContact CG1-CE1 4.12Å; V513-Y544 HydrophobicContact CG1-CE2 3.92Å; V513-Y544 HydrophobicContact CG1-CG 3.4Å; V513-Y544 VanDerWaalsContact CG1-CG 3.4Å; V513-Y544 HydrophobicContact CG2-CD1 3.41Å; V513-Y544 VanDerWaalsContact CG2-CD1 3.41Å; V513-Y544 HydrophobicContact CG2-CE1 3.41Å; V513-Y544 VanDerWaalsContact CG2-CE1 3.41Å; V513-Y544 HydrophobicContact CG2-CG 4.02Å; L540-Y544 HydrophobicContact CD2-CD2 3.99Å; L540-Y544 HydrophobicContact CD2-CE2 3.74Å; L540-Y544 WeakPolarHBondContact O-CB 3.46Å; L540-Y544 WeakPolarHBondContact O-CD2 3.04Å; L540-Y544 PolarHBondContact O-N 2.93Å
545	H	64.6	Low	83.2	Confident	37 Å²	37	38.3 Å²	38.3	17%	0.171	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	53.8	175.3	-55.8	-87.4	0	0	0	113.1	T450 R453 V454 V541 K542 E543	T450-H545 HydrophobicContact CG2-CB 3.95Å; T450-H545 WeakPolarHBondContact CG2-CD2 3.49Å; T450-H545 VanDerWaalsContact CG2-CE1 3.44Å; T450-H545 WeakPolarHBondContact CG2-CE1 3.34Å; T450-H545 WeakPolarHBondContact CG2-ND1 3.41Å; T450-H545 VanDerWaalsContact CG2-NE2 3.31Å; T450-H545 WeakPolarHBondContact CG2-NE2 3.28Å; T450-H545 PolarHBondContact OG1-CD2 2.82Å; T450-H545 PolarHBondContact OG1-NE2 3.37Å; R453-H545 PolarHBondContact NH2-CD2 2.96Å; V454-H545 HydrophobicContact CG1-CB 4.18Å; V541-H545 WeakPolarHBondContact O-CA 3.44Å; V541-H545 PolarHBondContact O-N 2.98Å; K542-H545 PolarHBondContact O-CD2 3.01Å; K542-H545 PolarHBondContact O-CE1 3.18Å; K542-H545 PolarHBondContact O-ND1 3.09Å; K542-H545 PolarHBondContact O-NE2 2.74Å; K542-H545 VanDerWaalsContact O-NE2 3.17Å; E543-H545 PolarHBondContact O-CD2 3.25Å; E543-H545 VanDerWaalsContact O-CD2 3.26Å
546	L	72.9	Confident	83.4	Confident	13 Å²	13	41.5 Å²	41.5	7%	0.068	20%	0.196	C	C	.	.			trans	-60.1	134.2	179.8	-58.4	-170	0	0	0	111.1	E467 F469 C501 V541 P549	E467-L546 HydrophobicContact CB-CB 4.31Å; E467-L546 HydrophobicContact CB-CD1 4.01Å; E467-L546 HydrophobicContact CG-CB 4.2Å; E467-L546 HydrophobicContact CG-CD1 4.32Å; E467-L546 HydrophobicContact CG-CD2 4.1Å; E467-L546 HydrophobicContact CG-CG 4.43Å; E467-L546 VanDerWaalsContact OE1-CA 3.31Å; E467-L546 WeakPolarHBondContact OE1-CA 3.42Å; F469-L546 HydrophobicContact CE2-CD1 3.62Å; F469-L546 HydrophobicContact CZ-CD1 3.47Å; F469-L546 VanDerWaalsContact CZ-CD1 3.47Å; C501-L546 HydrophobicContact CB-CD1 4.44Å; V541-L546 HydrophobicContact CG1-CB 4.48Å; V541-L546 HydrophobicContact CG2-CB 4.35Å; V541-L546 HydrophobicContact CG2-CD1 3.96Å; V541-L546 HydrophobicContact CG2-CG 4.31Å; V541-L546 PolarHBondContact O-N 3.3Å; L546-P549 HydrophobicContact CB-CB 4.29Å
547	L	71.1	Confident	83.8	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.031	20%	0.197	C	C	.	.	S	Bend	trans	-79.1	-39.7	-167	-66	-177.8	0	0	0	113.7	V454 Q457 V465 E467	V454-L547 HydrophobicContact CB-CD2 4.31Å; V454-L547 HydrophobicContact CG1-CD2 4.34Å; Q457-L547 VanDerWaalsContact CD-CD1 3.41Å; Q457-L547 HydrophobicContact CG-CD1 3.93Å; Q457-L547 VanDerWaalsContact NE2-CD1 3.33Å; V465-L547 HydrophobicContact CB-CD1 4.35Å; V465-L547 HydrophobicContact CG2-CD1 4.19Å; E467-L547 VanDerWaalsContact CD-N 3.32Å; E467-L547 PolarHBondContact OE1-N 2.57Å; E467-L547 PolarHBondContact OE2-N 3.05Å
548	N	84	Confident	84.1	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.032	21%	0.212	C	C	.	.	S	Bend	trans	-143.3	66.6	-176.1	-172.2	28.6	0	0	0	109.9	V465 E467 H573	V465-N548 VanDerWaalsContact O-CB 3.25Å; V465-N548 WeakPolarHBondContact O-CB 3.26Å; V465-N548 PolarHBondContact O-ND2 3.46Å; E467-N548 PolarHBondContact N-O 2.87Å; E467-N548 VanDerWaalsContact OE2-C 3.3Å; E467-N548 WeakPolarHBondContact OE2-CA 3.44Å; E467-N548 PolarHBondContact OE2-N 3.42Å; N548-H573 PolarHBondContact OD1-CD2 2.84Å; N548-H573 PolarHBondContact OD1-NE2 3.4Å; N548-H573 VanDerWaalsContact OD1-NE2 3.15Å
549	P	91.2	Very high	84.6	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.013	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	133	-178.4	31.2	-34.9	0	0	0	110.8	E467 F469 V541 L546 F572 H573	E467-P549 CarbonylContact O-C 3.58Å; E467-P549 VanDerWaalsContact O-CA 3.3Å; E467-P549 WeakPolarHBondContact O-CA 3.19Å; F469-P549 HydrophobicContact CE2-CB 4.35Å; V541-P549 HydrophobicContact CG1-CG 4.21Å; V541-P549 HydrophobicContact CG2-CB 4.02Å; V541-P549 HydrophobicContact CG2-CG 4.39Å; L546-P549 HydrophobicContact CB-CB 4.29Å; P549-F572 HydrophobicContact CB-CD1 3.66Å; P549-F572 HydrophobicContact CB-CE1 3.88Å; P549-F572 HydrophobicContact CB-CG 4.41Å; P549-F572 HydrophobicContact CG-CD1 4.17Å; P549-F572 HydrophobicContact CG-CG 4.47Å; P549-F572 WeakPolarHBondContact O-CA 3.25Å; P549-H573 PolarHBondContact O-N 3.4Å
550	V	95.6	Very high	85	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.9	-179.7	-168.3	0	0	0	0	109.7	I466 E467 F469 V552 H573 V575 L810 T813	I466-V550 HydrophobicContact CG2-CG2 3.66Å; E467-V550 PolarHBondContact O-N 3Å; F469-V550 PolarHBondContact N-O 3.21Å; V550-V552 HydrophobicContact CG1-CG2 4.4Å; V550-H573 CarbonylContact C-O 3.54Å; V550-H573 WeakPolarHBondContact CA-O 3.37Å; V550-H573 HydrophobicContact CB-CB 4.31Å; V550-H573 HydrophobicContact CG1-CB 3.94Å; V550-H573 HydrophobicContact CG2-CB 4.04Å; V550-V575 HydrophobicContact CG1-CB 4.38Å; V550-V575 HydrophobicContact CG1-CG2 3.71Å; V550-L810 HydrophobicContact CB-CD2 4Å; V550-L810 HydrophobicContact CG1-CD2 3.57Å; V550-L810 HydrophobicContact CG2-CD2 4.44Å; V550-T813 HydrophobicContact CG1-CG2 4.1Å; V550-T813 HydrophobicContact CG2-CG2 4.02Å
551	I	96.3	Very high	85.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.3	166.9	-61.2	-56.9	0	0	0	108.4	F469 I471 L537 F567 F572 H573 V574 V575	F469-I551 HydrophobicContact CB-CD1 3.81Å; F469-I551 HydrophobicContact CD2-CD1 4.36Å; F469-I551 HydrophobicContact CG-CD1 4.32Å; I471-I551 HydrophobicContact CD1-CG2 3.66Å; I471-I551 HydrophobicContact CG1-CG2 4.4Å; L537-I551 HydrophobicContact CD1-CD1 3.93Å; I551-F567 HydrophobicContact CB-CD2 4.39Å; I551-F567 HydrophobicContact CB-CG 4.47Å; I551-F567 HydrophobicContact CD1-CD1 4.1Å; I551-F567 HydrophobicContact CD1-CE1 4.12Å; I551-F567 HydrophobicContact CG1-CB 4.16Å; I551-F567 HydrophobicContact CG1-CD1 3.68Å; I551-F567 HydrophobicContact CG1-CD2 4.13Å; I551-F567 HydrophobicContact CG1-CE1 4.06Å; I551-F567 HydrophobicContact CG1-CG 3.77Å; I551-F567 HydrophobicContact CG2-CD2 4.06Å; I551-F567 HydrophobicContact CG2-CE2 4.01Å; I551-F567 HydrophobicContact CG2-CZ 4.35Å; I551-F572 HydrophobicContact CD1-CD1 3.56Å; I551-F572 HydrophobicContact CD1-CE1 3.75Å; I551-F572 HydrophobicContact CD1-CG 4.29Å; I551-F572 HydrophobicContact CG1-CB 3.96Å; I551-F572 HydrophobicContact CG1-CD1 3.61Å; I551-F572 HydrophobicContact CG1-CE1 4.29Å; I551-F572 HydrophobicContact CG1-CG 3.91Å; I551-H573 PolarHBondContact N-O 2.86Å; I551-V574 HydrophobicContact CB-CG2 4.46Å; I551-V574 WeakPolarHBondContact O-CA 3.27Å; I551-V575 PolarHBondContact O-N 3.14Å
552	V	97.7	Very high	86.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	102.8	170.7	-176.7	0	0	0	0	108.7	V468 F469 V470 I471 L480 V550 C554 V575 V806 L810	V468-V552 HydrophobicContact CG1-CB 4.45Å; V468-V552 HydrophobicContact CG1-CG2 3.6Å; F469-V552 PolarHBondContact O-N 2.97Å; V470-V552 HydrophobicContact CG2-CB 4.38Å; I471-V552 PolarHBondContact N-O 3Å; L480-V552 HydrophobicContact CD2-CG1 3.72Å; V550-V552 HydrophobicContact CG1-CG2 4.4Å; V552-C554 PolarHBondContact O-N 2.97Å; V552-V575 VanDerWaalsContact CA-O 3.25Å; V552-V575 WeakPolarHBondContact CA-O 3.46Å; V552-V575 HydrophobicContact CG2-CB 4.33Å; V552-V806 HydrophobicContact CG1-CG1 3.48Å; V552-V806 VanDerWaalsContact CG1-CG1 3.48Å; V552-L810 HydrophobicContact CG2-CD1 4.23Å; V552-L810 HydrophobicContact CG2-CD2 3.48Å; V552-L810 VanDerWaalsContact CG2-CD2 3.48Å; V552-L810 HydrophobicContact CG2-CG 4.09Å
553	D	96.8	Very high	87.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	97.2	177.3	178.6	21.5	0	0	0	111.1	T555 V560 Y564 V575 T576 P577 N578	D553-T555 VanDerWaalsContact C-N 3.34Å; D553-T555 WeakPolarHBondContact OD1-CA 3.29Å; D553-T555 WeakPolarHBondContact OD1-CB 3.32Å; D553-T555 WeakPolarHBondContact OD1-CG2 3.49Å; D553-T555 PolarHBondContact OD1-N 3.15Å; D553-T555 PolarHBondContact OD1-OG1 3.31Å; D553-V560 HydrophobicContact CB-CG1 4.12Å; D553-V560 WeakPolarHBondContact OD2-CG1 3.39Å; D553-Y564 HydrophobicContact CB-CE1 3.83Å; D553-Y564 WeakPolarHBondContact CB-OH 3.16Å; D553-Y564 VanDerWaalsContact CG-OH 3.27Å; D553-Y564 PolarHBondContact OD2-OH 3.46Å; D553-V575 PolarHBondContact N-O 2.83Å; D553-V575 VanDerWaalsContact N-O 3.09Å; D553-T576 PolarHBondContact O-OG1 2.91Å; D553-P577 WeakPolarHBondContact O-CD 3.12Å; D553-N578 PolarHBondContact OD2-ND2 3.33Å
554	C	95.1	Very high	88.7	Confident	19 Å²	19	29.4 Å²	29.4	13%	0.128	17%	0.167	C	C	.	.			trans	-94	17.5	173.4	-69.7	0	0	0	0	112.7	I471 G472 V552 P577	I471-C554 WeakPolarHBondContact O-CA 3.39Å; I471-C554 PolarHBondContact O-N 2.96Å; G472-C554 VanDerWaalsContact O-CB 3.31Å; G472-C554 WeakPolarHBondContact O-CB 3.33Å; V552-C554 PolarHBondContact O-N 2.97Å; C554-P577 HydrophobicContact CB-CG 4.44Å
555	T	93.1	Very high	90	Very high	34 Å²	34	24.8 Å²	24.8	21%	0.209	15%	0.15	C	C	.	.	S	Bend	trans	-89	169.9	175.5	75.9	0	0	0	0	112.2	I471 D553 S557 N578	I471-T555 HydrophobicContact CG2-CG2 3.83Å; D553-T555 VanDerWaalsContact C-N 3.34Å; D553-T555 WeakPolarHBondContact OD1-CA 3.29Å; D553-T555 WeakPolarHBondContact OD1-CB 3.32Å; D553-T555 WeakPolarHBondContact OD1-CG2 3.49Å; D553-T555 PolarHBondContact OD1-N 3.15Å; D553-T555 PolarHBondContact OD1-OG1 3.31Å; T555-S557 VanDerWaalsContact OG1-CB 3.3Å; T555-S557 WeakPolarHBondContact OG1-CB 3.39Å; T555-S557 PolarHBondContact OG1-N 2.91Å; T555-N578 WeakPolarHBondContact O-CB 3.4Å; T555-N578 VanDerWaalsContact O-CG 3.28Å; T555-N578 PolarHBondContact O-ND2 2.93Å
556	S	89	Confident	91.4	Very high	96 Å²	96	26 Å²	26	67%	0.671	16%	0.157	S	C	*	.			trans	-100.2	21	162.7	58	0	0	0	0	111.8	K580	S556-K580 WeakPolarHBondContact O-CD 3.15Å; S556-K580 WeakPolarHBondContact O-CE 3.41Å; S556-K580 PolarHBondContact O-NZ 3.47Å
557	S	91.7	Very high	92.4	Very high	42 Å²	42	25.3 Å²	25.3	29%	0.294	15%	0.154	S	C	.	.			trans	-82.1	129.3	-173.3	-175.5	0	0	0	0	111.8	T555 A559 V560 A561 N578	T555-S557 VanDerWaalsContact OG1-CB 3.3Å; T555-S557 WeakPolarHBondContact OG1-CB 3.39Å; T555-S557 PolarHBondContact OG1-N 2.91Å; S557-A559 PolarHBondContact OG-N 3.39Å; S557-V560 PolarHBondContact OG-N 3.44Å; S557-A561 PolarHBondContact O-N 3.19Å; S557-N578 PolarHBondContact O-ND2 2.89Å
558	Q	92.8	Very high	93.5	Very high	66 Å²	66	25 Å²	25	31%	0.308	15%	0.152	S	C	.	.	H	α-helix	trans	-69	-41.8	170.5	-173.5	68.6	44.4	0	0	110.4	V560 A561 D562 K580	Q558-V560 PolarHBondContact O-N 3.22Å; Q558-V560 VanDerWaalsContact O-N 3.16Å; Q558-A561 CarbonylContact O-C 3.53Å; Q558-A561 WeakPolarHBondContact O-CA 3.38Å; Q558-A561 WeakPolarHBondContact O-CB 3.27Å; Q558-A561 PolarHBondContact O-N 3.23Å; Q558-D562 PolarHBondContact NE2-OD1 3.03Å; Q558-D562 VanDerWaalsContact O-CG 3.23Å; Q558-D562 PolarHBondContact O-N 2.94Å; Q558-K580 HydrophobicContact CB-CD 4.04Å
559	A	91.5	Very high	93.9	Very high	58 Å²	58	30.6 Å²	30.6	48%	0.479	17%	0.173	S	C	.	.	H	α-helix	trans	-61.3	-28.7	-177.7	0	0	0	0	0	113.3	S557 Q563	S557-A559 PolarHBondContact OG-N 3.39Å; A559-Q563 PolarHBondContact O-NE2 3.35Å
560	V	92.1	Very high	93.7	Very high	13 Å²	13	34.1 Å²	34.1	8%	0.079	19%	0.189	C	C	.	.	H	α-helix	trans	-79.2	-42.5	173.5	-177.6	0	0	0	0	110.4	I471 D553 S557 Q558 D562 Q563 Y564 F567	I471-V560 HydrophobicContact CD1-CG1 3.89Å; I471-V560 HydrophobicContact CG2-CG1 4.26Å; I471-V560 HydrophobicContact CG2-CG2 4.34Å; D553-V560 HydrophobicContact CB-CG1 4.12Å; D553-V560 WeakPolarHBondContact OD2-CG1 3.39Å; S557-V560 PolarHBondContact OG-N 3.44Å; Q558-V560 PolarHBondContact O-N 3.22Å; Q558-V560 VanDerWaalsContact O-N 3.16Å; V560-D562 VanDerWaalsContact C-N 3.29Å; V560-D562 PolarHBondContact O-N 2.77Å; V560-Q563 PolarHBondContact O-N 3.46Å; V560-Q563 VanDerWaalsContact O-N 3.09Å; V560-Y564 HydrophobicContact CG1-CE1 4.31Å; V560-Y564 WeakPolarHBondContact O-CD1 3.37Å; V560-Y564 WeakPolarHBondContact O-CE1 3.43Å; V560-F567 HydrophobicContact CG1-CE2 4.45Å
561	A	94.4	Very high	93.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.3	-36.1	176.4	0	0	0	0	0	113.5	S557 Q558 Q563 Y564 K580 A581 Y588	S557-A561 PolarHBondContact O-N 3.19Å; Q558-A561 CarbonylContact O-C 3.53Å; Q558-A561 WeakPolarHBondContact O-CA 3.38Å; Q558-A561 WeakPolarHBondContact O-CB 3.27Å; Q558-A561 PolarHBondContact O-N 3.23Å; A561-Q563 PolarHBondContact O-N 3.39Å; A561-Y564 HydrophobicContact CB-CE2 4.37Å; A561-Y564 VanDerWaalsContact O-CG 3.32Å; A561-Y564 PolarHBondContact O-N 3.23Å; A561-K580 HydrophobicContact CB-CB 3.93Å; A561-A581 HydrophobicContact CB-CB 4.14Å; A561-Y588 PolarHBondContact O-OH 3.33Å
562	D	95	Very high	93.1	Very high	75 Å²	75	34.9 Å²	34.9	40%	0.401	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-13.4	178	-64.9	-19.5	0	0	0	113.3	Q558 V560 Y588	Q558-D562 PolarHBondContact NE2-OD1 3.03Å; Q558-D562 VanDerWaalsContact O-CG 3.23Å; Q558-D562 PolarHBondContact O-N 2.94Å; V560-D562 VanDerWaalsContact C-N 3.29Å; V560-D562 PolarHBondContact O-N 2.77Å; D562-Y588 WeakPolarHBondContact CA-OH 3.25Å; D562-Y588 PolarHBondContact O-OH 3.24Å; D562-Y588 VanDerWaalsContact O-OH 3.08Å
563	Q	94.2	Very high	93	Very high	51 Å²	51	35.3 Å²	35.3	24%	0.238	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-0.8	178.7	-71	174.9	71.8	0	0	113.3	L534 A559 V560 A561 A565 D566 F567	L534-Q563 VanDerWaalsContact CB-OE1 3.28Å; A559-Q563 PolarHBondContact O-NE2 3.35Å; V560-Q563 PolarHBondContact O-N 3.46Å; V560-Q563 VanDerWaalsContact O-N 3.09Å; A561-Q563 PolarHBondContact O-N 3.39Å; Q563-A565 VanDerWaalsContact C-N 3.31Å; Q563-A565 PolarHBondContact O-N 3.46Å; Q563-D566 WeakPolarHBondContact O-CB 3.13Å; Q563-D566 PolarHBondContact O-N 3.48Å; Q563-F567 HydrophobicContact CB-CD2 4.48Å; Q563-F567 HydrophobicContact CB-CE2 3.94Å; Q563-F567 HydrophobicContact CB-CZ 4.13Å; Q563-F567 WeakPolarHBondContact O-CD2 3.47Å; Q563-F567 PolarHBondContact O-N 2.88Å
564	Y	96.4	Very high	93	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-39	-177.7	-70.4	0.9	0	0	0	113.4	D553 V560 A561 D566 F567 L568 V574 T576 N578 A581 Y588 L592 F603	D553-Y564 HydrophobicContact CB-CE1 3.83Å; D553-Y564 WeakPolarHBondContact CB-OH 3.16Å; D553-Y564 VanDerWaalsContact CG-OH 3.27Å; D553-Y564 PolarHBondContact OD2-OH 3.46Å; V560-Y564 HydrophobicContact CG1-CE1 4.31Å; V560-Y564 WeakPolarHBondContact O-CD1 3.37Å; V560-Y564 WeakPolarHBondContact O-CE1 3.43Å; A561-Y564 HydrophobicContact CB-CE2 4.37Å; A561-Y564 VanDerWaalsContact O-CG 3.32Å; A561-Y564 PolarHBondContact O-N 3.23Å; Y564-D566 PolarHBondContact O-N 3.49Å; Y564-F567 AromaticContact CD1-CD2 3.83Å; Y564-F567 HydrophobicContact CD1-CD2 3.83Å; Y564-F567 AromaticContact CD1-CE2 3.97Å; Y564-F567 HydrophobicContact CD1-CE2 3.97Å; Y564-F567 HydrophobicContact CE1-CE2 4.46Å; Y564-F567 PolarHBondContact O-N 3.47Å; Y564-L568 VanDerWaalsContact O-CG 3.3Å; Y564-L568 WeakPolarHBondContact O-CG 3.19Å; Y564-L568 PolarHBondContact O-N 2.87Å; Y564-V574 HydrophobicContact CD1-CG1 4.04Å; Y564-V574 HydrophobicContact CD2-CG1 4.03Å; Y564-V574 HydrophobicContact CE1-CG1 4.25Å; Y564-V574 HydrophobicContact CE2-CG1 4.27Å; Y564-V574 HydrophobicContact CG-CG1 3.93Å; Y564-T576 HydrophobicContact CE2-CG2 3.75Å; Y564-T576 PolarHBondContact OH-OG1 2.92Å; Y564-N578 WeakPolarHBondContact OH-CB 3.37Å; Y564-A581 HydrophobicContact CD2-CB 3.43Å; Y564-A581 VanDerWaalsContact CD2-CB 3.43Å; Y564-A581 HydrophobicContact CE2-CB 3.38Å; Y564-Y588 PolarHBondContact N-OH 3.3Å; Y564-L592 VanDerWaalsContact CB-CD2 3.45Å; Y564-F603 AromaticContact CD2-CE2 3.84Å; Y564-F603 HydrophobicContact CD2-CE2 3.84Å; Y564-F603 HydrophobicContact CD2-CZ 4.22Å; Y564-F603 HydrophobicContact CE2-CE2 4.1Å; Y564-F603 HydrophobicContact CE2-CZ 4.49Å
565	A	95.2	Very high	93.2	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-34.9	176.4	0	0	0	0	0	111.5	Q563 R569 Y588 L591 L592 A595	Q563-A565 VanDerWaalsContact C-N 3.31Å; Q563-A565 PolarHBondContact O-N 3.46Å; A565-R569 WeakPolarHBondContact O-CB 3.3Å; A565-R569 VanDerWaalsContact O-CG 3.25Å; A565-R569 WeakPolarHBondContact O-CG 3.46Å; A565-R569 PolarHBondContact O-N 2.83Å; A565-Y588 HydrophobicContact CB-CE2 4.21Å; A565-L591 HydrophobicContact CB-CD2 4.11Å; A565-L591 HydrophobicContact CB-CG 4.12Å; A565-L592 HydrophobicContact CB-CD2 3.99Å; A565-A595 HydrophobicContact CB-CB 4.45Å
566	D	93.8	Very high	93.4	Very high	62 Å²	62	32.8 Å²	32.8	33%	0.332	18%	0.183	S	C	.	.	H	α-helix	trans	-72.7	-43.2	176.6	-60.3	-30.2	0	0	0	111.3	L534 Q563 Y564 L568 R569 E570	L534-D566 HydrophobicContact CD2-CB 3.86Å; Q563-D566 WeakPolarHBondContact O-CB 3.13Å; Q563-D566 PolarHBondContact O-N 3.48Å; Y564-D566 PolarHBondContact O-N 3.49Å; D566-L568 VanDerWaalsContact C-N 3.32Å; D566-L568 PolarHBondContact O-N 2.7Å; D566-R569 PolarHBondContact O-N 2.97Å; D566-R569 IonicContact OD1-CZ 2.95Å; D566-R569 IonicContact OD1-NH1 3.18Å; D566-R569 PolarHBondContact OD1-NH1 2.79Å; D566-E570 WeakPolarHBondContact O-CB 3.43Å; D566-E570 WeakPolarHBondContact O-CG 3.37Å; D566-E570 PolarHBondContact O-N 3.5Å
567	F	94.1	Very high	93.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-54.7	-48.3	172.2	-65.6	-49.4	0	0	0	111.2	I471 F532 L534 I551 V560 Q563 Y564 R569 E570 G571 F572 V574	I471-F567 HydrophobicContact CD1-CE2 4.5Å; I471-F567 HydrophobicContact CD1-CZ 4.09Å; F532-F567 HydrophobicContact CZ-CE1 4.32Å; F532-F567 AromaticContact CZ-CZ 3.94Å; F532-F567 HydrophobicContact CZ-CZ 3.94Å; L534-F567 HydrophobicContact CB-CE1 4.38Å; L534-F567 HydrophobicContact CD1-CD1 3.27Å; L534-F567 HydrophobicContact CD1-CE1 3.19Å; L534-F567 HydrophobicContact CD1-CG 4.43Å; L534-F567 HydrophobicContact CD1-CZ 4.26Å; L534-F567 HydrophobicContact CG-CE1 4.25Å; I551-F567 HydrophobicContact CB-CD2 4.39Å; I551-F567 HydrophobicContact CB-CG 4.47Å; I551-F567 HydrophobicContact CD1-CD1 4.1Å; I551-F567 HydrophobicContact CD1-CE1 4.12Å; I551-F567 HydrophobicContact CG1-CB 4.16Å; I551-F567 HydrophobicContact CG1-CD1 3.68Å; I551-F567 HydrophobicContact CG1-CD2 4.13Å; I551-F567 HydrophobicContact CG1-CE1 4.06Å; I551-F567 HydrophobicContact CG1-CG 3.77Å; I551-F567 HydrophobicContact CG2-CD2 4.06Å; I551-F567 HydrophobicContact CG2-CE2 4.01Å; I551-F567 HydrophobicContact CG2-CZ 4.35Å; V560-F567 HydrophobicContact CG1-CE2 4.45Å; Q563-F567 HydrophobicContact CB-CD2 4.48Å; Q563-F567 HydrophobicContact CB-CE2 3.94Å; Q563-F567 HydrophobicContact CB-CZ 4.13Å; Q563-F567 WeakPolarHBondContact O-CD2 3.47Å; Q563-F567 PolarHBondContact O-N 2.88Å; Y564-F567 AromaticContact CD1-CD2 3.83Å; Y564-F567 HydrophobicContact CD1-CD2 3.83Å; Y564-F567 AromaticContact CD1-CE2 3.97Å; Y564-F567 HydrophobicContact CD1-CE2 3.97Å; Y564-F567 HydrophobicContact CE1-CE2 4.46Å; Y564-F567 PolarHBondContact O-N 3.47Å; F567-R569 PolarHBondContact O-N 2.82Å; F567-E570 PolarHBondContact O-N 2.88Å; F567-G571 PolarHBondContact O-N 2.88Å; F567-F572 HydrophobicContact CB-CB 4.16Å; F567-F572 WeakPolarHBondContact O-CB 3.41Å; F567-F572 WeakPolarHBondContact O-CD2 3.38Å; F567-F572 PolarHBondContact O-N 2.92Å; F567-V574 HydrophobicContact CB-CG2 3.76Å; F567-V574 HydrophobicContact CD2-CG2 4.39Å
568	L	93.9	Very high	93.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-43.4	179.7	-70.4	165	0	0	0	111.9	Y564 D566 E570 G571 V574 L592 A595 A596 S599 R601 F603	Y564-L568 VanDerWaalsContact O-CG 3.3Å; Y564-L568 WeakPolarHBondContact O-CG 3.19Å; Y564-L568 PolarHBondContact O-N 2.87Å; D566-L568 VanDerWaalsContact C-N 3.32Å; D566-L568 PolarHBondContact O-N 2.7Å; L568-E570 VanDerWaalsContact C-N 3.32Å; L568-E570 PolarHBondContact O-N 3.26Å; L568-G571 PolarHBondContact O-N 3.44Å; L568-G571 VanDerWaalsContact O-N 3.15Å; L568-V574 HydrophobicContact CD2-CB 4.43Å; L568-V574 HydrophobicContact CD2-CG2 4.02Å; L568-V574 HydrophobicContact CG-CG2 3.96Å; L568-L592 HydrophobicContact CD1-CD2 4.19Å; L568-A595 HydrophobicContact CB-CB 4.07Å; L568-A595 HydrophobicContact CD1-CB 4.28Å; L568-A596 HydrophobicContact CD1-CB 4.05Å; L568-A596 HydrophobicContact CD2-CB 4.15Å; L568-S599 WeakPolarHBondContact O-CB 3.33Å; L568-S599 PolarHBondContact O-OG 3.47Å; L568-R601 HydrophobicContact CD2-CB 3.96Å; L568-F603 HydrophobicContact CD1-CB 4.34Å; L568-F603 HydrophobicContact CD2-CB 4.36Å
569	R	91.1	Very high	93.8	Very high	122 Å²	122	27.1 Å²	27.1	46%	0.46	14%	0.142	S	C	.	.	H	α-helix	trans	-65.3	-34.3	178.8	-74.7	179.4	-143.3	130	5.1	112.7	A565 D566 F567 G571 A595	A565-R569 WeakPolarHBondContact O-CB 3.3Å; A565-R569 VanDerWaalsContact O-CG 3.25Å; A565-R569 WeakPolarHBondContact O-CG 3.46Å; A565-R569 PolarHBondContact O-N 2.83Å; D566-R569 PolarHBondContact O-N 2.97Å; D566-R569 IonicContact OD1-CZ 2.95Å; D566-R569 IonicContact OD1-NH1 3.18Å; D566-R569 PolarHBondContact OD1-NH1 2.79Å; F567-R569 PolarHBondContact O-N 2.82Å; R569-G571 PolarHBondContact O-N 2.9Å; R569-A595 HydrophobicContact CG-CB 4.24Å
570	E	88.8	Confident	93.9	Very high	77 Å²	77	27.5 Å²	27.5	36%	0.36	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	7	176.9	-65.1	-69.7	145.9	0	0	113.1	I538 K542 D566 F567 L568 F572	I538-E570 HydrophobicContact CD1-CB 4.38Å; I538-E570 HydrophobicContact CD1-CG 3.66Å; I538-E570 HydrophobicContact CG1-CB 4.09Å; I538-E570 HydrophobicContact CG1-CG 3.91Å; I538-E570 VanDerWaalsContact CG2-OE2 3.31Å; I538-E570 WeakPolarHBondContact CG2-OE2 3.28Å; K542-E570 VanDerWaalsContact CE-OE2 3.29Å; K542-E570 WeakPolarHBondContact CE-OE2 3.43Å; K542-E570 IonicContact NZ-OE2 3.74Å; K542-E570 PolarHBondContact NZ-OE2 3.29Å; D566-E570 WeakPolarHBondContact O-CB 3.43Å; D566-E570 WeakPolarHBondContact O-CG 3.37Å; D566-E570 PolarHBondContact O-N 3.5Å; F567-E570 PolarHBondContact O-N 2.88Å; L568-E570 VanDerWaalsContact C-N 3.32Å; L568-E570 PolarHBondContact O-N 3.26Å; E570-F572 HydrophobicContact CB-CD2 4.12Å; E570-F572 HydrophobicContact CB-CE2 4.11Å
571	G	86.1	Confident	94	Very high	15 Å²	15	26.9 Å²	26.9	16%	0.155	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	12.9	170.1	0	0	0	0	0	115.2	F567 L568 R569 R601	F567-G571 PolarHBondContact O-N 2.88Å; L568-G571 PolarHBondContact O-N 3.44Å; L568-G571 VanDerWaalsContact O-N 3.15Å; R569-G571 PolarHBondContact O-N 2.9Å; G571-R601 WeakPolarHBondContact O-CD 3.42Å; G571-R601 PolarHBondContact O-NE 2.94Å; G571-R601 PolarHBondContact O-NH2 2.94Å
572	F	92.7	Very high	94	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.			trans	-82.9	143.7	172.2	-62.6	-102.5	0	0	0	110.9	F469 L537 I538 V541 P549 I551 F567 E570 R601	F469-F572 HydrophobicContact CD2-CE1 4.08Å; F469-F572 HydrophobicContact CE2-CE1 4.09Å; L537-F572 HydrophobicContact CB-CZ 4.28Å; I538-F572 HydrophobicContact CG1-CE2 4.29Å; V541-F572 HydrophobicContact CB-CZ 4.09Å; V541-F572 HydrophobicContact CG2-CE1 3.52Å; V541-F572 HydrophobicContact CG2-CE2 4.23Å; V541-F572 HydrophobicContact CG2-CZ 3.32Å; P549-F572 HydrophobicContact CB-CD1 3.66Å; P549-F572 HydrophobicContact CB-CE1 3.88Å; P549-F572 HydrophobicContact CB-CG 4.41Å; P549-F572 HydrophobicContact CG-CD1 4.17Å; P549-F572 HydrophobicContact CG-CG 4.47Å; P549-F572 WeakPolarHBondContact O-CA 3.25Å; I551-F572 HydrophobicContact CD1-CD1 3.56Å; I551-F572 HydrophobicContact CD1-CE1 3.75Å; I551-F572 HydrophobicContact CD1-CG 4.29Å; I551-F572 HydrophobicContact CG1-CB 3.96Å; I551-F572 HydrophobicContact CG1-CD1 3.61Å; I551-F572 HydrophobicContact CG1-CE1 4.29Å; I551-F572 HydrophobicContact CG1-CG 3.91Å; F567-F572 HydrophobicContact CB-CB 4.16Å; F567-F572 WeakPolarHBondContact O-CB 3.41Å; F567-F572 WeakPolarHBondContact O-CD2 3.38Å; F567-F572 PolarHBondContact O-N 2.92Å; E570-F572 HydrophobicContact CB-CD2 4.12Å; E570-F572 HydrophobicContact CB-CE2 4.11Å; F572-R601 WeakPolarHBondContact O-CB 3.37Å
573	H	95.2	Very high	93.9	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.046	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	151.8	154.1	-62	-89.7	0	0	0	108.9	N548 P549 V550 I551 R601 K602 T813	N548-H573 PolarHBondContact OD1-CD2 2.84Å; N548-H573 PolarHBondContact OD1-NE2 3.4Å; N548-H573 VanDerWaalsContact OD1-NE2 3.15Å; P549-H573 PolarHBondContact O-N 3.4Å; V550-H573 CarbonylContact C-O 3.54Å; V550-H573 WeakPolarHBondContact CA-O 3.37Å; V550-H573 HydrophobicContact CB-CB 4.31Å; V550-H573 HydrophobicContact CG1-CB 3.94Å; V550-H573 HydrophobicContact CG2-CB 4.04Å; I551-H573 PolarHBondContact N-O 2.86Å; H573-R601 VanDerWaalsContact NE2-CD 3.35Å; H573-R601 WeakPolarHBondContact NE2-CD 3.46Å; H573-R601 PolarHBondContact NE2-NH1 2.82Å; H573-K602 WeakPolarHBondContact CA-O 3.44Å; H573-K602 WeakPolarHBondContact ND1-CB 3.49Å; H573-K602 PolarHBondContact ND1-N 2.84Å; H573-T813 HydrophobicContact CB-CG2 3.85Å
574	V	97.5	Very high	93.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.8	175.6	178.8	0	0	0	0	108.3	I551 Y564 F567 L568 K602 F603 L604	I551-V574 HydrophobicContact CB-CG2 4.46Å; I551-V574 WeakPolarHBondContact O-CA 3.27Å; Y564-V574 HydrophobicContact CD1-CG1 4.04Å; Y564-V574 HydrophobicContact CD2-CG1 4.03Å; Y564-V574 HydrophobicContact CE1-CG1 4.25Å; Y564-V574 HydrophobicContact CE2-CG1 4.27Å; Y564-V574 HydrophobicContact CG-CG1 3.93Å; F567-V574 HydrophobicContact CB-CG2 3.76Å; F567-V574 HydrophobicContact CD2-CG2 4.39Å; L568-V574 HydrophobicContact CD2-CB 4.43Å; L568-V574 HydrophobicContact CD2-CG2 4.02Å; L568-V574 HydrophobicContact CG-CG2 3.96Å; V574-K602 PolarHBondContact N-O 3.24Å; V574-F603 HydrophobicContact CB-CD2 3.95Å; V574-F603 HydrophobicContact CG1-CD2 3.9Å; V574-F603 HydrophobicContact CG1-CE2 4.08Å; V574-F603 CarbonylContact O-C 3.57Å; V574-F603 WeakPolarHBondContact O-CA 3.37Å; V574-L604 PolarHBondContact O-N 3.05Å
575	V	97.9	Very high	93.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.6	172.3	178.9	0	0	0	0	107.8	V550 I551 V552 D553 L604 V806 D809 L810 T813	V550-V575 HydrophobicContact CG1-CB 4.38Å; V550-V575 HydrophobicContact CG1-CG2 3.71Å; I551-V575 PolarHBondContact O-N 3.14Å; V552-V575 VanDerWaalsContact CA-O 3.25Å; V552-V575 WeakPolarHBondContact CA-O 3.46Å; V552-V575 HydrophobicContact CG2-CB 4.33Å; D553-V575 PolarHBondContact N-O 2.83Å; D553-V575 VanDerWaalsContact N-O 3.09Å; V575-L604 CarbonylContact C-O 3.49Å; V575-L604 VanDerWaalsContact CA-O 3.27Å; V575-L604 WeakPolarHBondContact CA-O 3.34Å; V575-L604 HydrophobicContact CG2-CB 4.25Å; V575-L604 HydrophobicContact CG2-CD1 4.34Å; V575-V806 HydrophobicContact CG1-CG1 3.9Å; V575-D809 HydrophobicContact CB-CB 4.43Å; V575-D809 HydrophobicContact CG1-CB 3.42Å; V575-D809 VanDerWaalsContact CG1-CB 3.42Å; V575-D809 HydrophobicContact CG2-CB 4.15Å; V575-L810 HydrophobicContact CG2-CD2 4.25Å; V575-T813 HydrophobicContact CG2-CG2 4.12Å
576	T	97	Very high	93.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.			trans	-156.7	139.4	-176.8	-171.7	0	0	0	0	114.9	D553 Y564 N578 F603 L604 Y605 T607 N608	D553-T576 PolarHBondContact O-OG1 2.91Å; Y564-T576 HydrophobicContact CE2-CG2 3.75Å; Y564-T576 PolarHBondContact OH-OG1 2.92Å; T576-N578 WeakPolarHBondContact OG1-CA 3.35Å; T576-N578 WeakPolarHBondContact OG1-CB 3.34Å; T576-N578 PolarHBondContact OG1-N 3.11Å; T576-F603 HydrophobicContact CG2-CE2 3.82Å; T576-F603 HydrophobicContact CG2-CZ 4.43Å; T576-L604 PolarHBondContact N-O 3.31Å; T576-Y605 WeakPolarHBondContact O-CA 3.07Å; T576-T607 PolarHBondContact O-OG1 2.83Å; T576-N608 PolarHBondContact O-OD1 2.84Å
577	P	94.4	Very high	93.9	Very high	22 Å²	22	30.1 Å²	30.1	14%	0.143	16%	0.155	C	C	.	.			trans	-85.4	-3.4	158.3	32.7	-39	0	0	0	114.2	V476 D553 C554 K579 T607 N608 T802 V806	V476-P577 HydrophobicContact CG1-CG 4.35Å; D553-P577 WeakPolarHBondContact O-CD 3.12Å; C554-P577 HydrophobicContact CB-CG 4.44Å; P577-K579 PolarHBondContact O-N 2.86Å; P577-T607 WeakPolarHBondContact CA-OG1 3.27Å; P577-T607 WeakPolarHBondContact CB-OG1 3.4Å; P577-N608 VanDerWaalsContact C-OD1 3.24Å; P577-N608 PolarHBondContact O-OD1 3.18Å; P577-T802 HydrophobicContact CB-CG2 3.83Å; P577-V806 HydrophobicContact CB-CG2 4.43Å; P577-V806 HydrophobicContact CG-CG2 4.18Å
578	N	94.4	Very high	94	Very high	9 Å²	9	31.4 Å²	31.4	5%	0.048	16%	0.16	C	C	.	.			trans	-76.7	109.6	-179.2	-172.3	-6	0	0	0	110.5	D553 T555 S557 Y564 T576 K580	D553-N578 PolarHBondContact OD2-ND2 3.33Å; T555-N578 WeakPolarHBondContact O-CB 3.4Å; T555-N578 VanDerWaalsContact O-CG 3.28Å; T555-N578 PolarHBondContact O-ND2 2.93Å; S557-N578 PolarHBondContact O-ND2 2.89Å; Y564-N578 WeakPolarHBondContact OH-CB 3.37Å; T576-N578 WeakPolarHBondContact OG1-CA 3.35Å; T576-N578 WeakPolarHBondContact OG1-CB 3.34Å; T576-N578 PolarHBondContact OG1-N 3.11Å; N578-K580 VanDerWaalsContact C-N 3.25Å; N578-K580 PolarHBondContact O-N 3.16Å; N578-K580 WeakPolarHBondContact OD1-CB 3.29Å; N578-K580 WeakPolarHBondContact OD1-CG 3.43Å; N578-K580 PolarHBondContact OD1-N 2.86Å
579	K	93.2	Very high	94	Very high	53 Å²	53	32.4 Å²	32.4	23%	0.23	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.1	-176.3	-68.5	163.4	-68.4	-156.3	0	113.9	P577 A581 N582 T583 N608 D678 K682 I685	P577-K579 PolarHBondContact O-N 2.86Å; K579-A581 VanDerWaalsContact C-N 3.32Å; K579-A581 PolarHBondContact O-N 3.17Å; K579-N582 PolarHBondContact O-N 3.11Å; K579-N582 VanDerWaalsContact O-N 3.15Å; K579-T583 PolarHBondContact O-N 3.31Å; K579-T583 PolarHBondContact O-OG1 3.48Å; K579-N608 HydrophobicContact CG-CB 3.93Å; K579-D678 WeakPolarHBondContact CE-OD1 3.13Å; K579-D678 IonicContact NZ-OD1 3.64Å; K579-D678 PolarHBondContact NZ-OD1 3.33Å; K579-D678 IonicContact NZ-OD2 2.8Å; K579-K682 HydrophobicContact CD-CG 4.28Å; K579-I685 HydrophobicContact CB-CD1 4.16Å; K579-I685 HydrophobicContact CG-CD1 4.07Å
580	K	93.6	Very high	94.2	Very high	67 Å²	67	30.7 Å²	30.7	29%	0.291	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-38.2	-168.1	-74.1	-179.4	167.3	-168.8	0	114.3	S556 Q558 A561 N578 T583 S584	S556-K580 WeakPolarHBondContact O-CD 3.15Å; S556-K580 WeakPolarHBondContact O-CE 3.41Å; S556-K580 PolarHBondContact O-NZ 3.47Å; Q558-K580 HydrophobicContact CB-CD 4.04Å; A561-K580 HydrophobicContact CB-CB 3.93Å; N578-K580 VanDerWaalsContact C-N 3.25Å; N578-K580 PolarHBondContact O-N 3.16Å; N578-K580 WeakPolarHBondContact OD1-CB 3.29Å; N578-K580 WeakPolarHBondContact OD1-CG 3.43Å; N578-K580 PolarHBondContact OD1-N 2.86Å; K580-T583 PolarHBondContact O-N 3.35Å; K580-S584 PolarHBondContact O-N 2.9Å
581	A	94.1	Very high	94.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-44.8	179.4	0	0	0	0	0	112.4	A561 Y564 K579 T583 S584 Y588 L592 F603	A561-A581 HydrophobicContact CB-CB 4.14Å; Y564-A581 HydrophobicContact CD2-CB 3.43Å; Y564-A581 VanDerWaalsContact CD2-CB 3.43Å; Y564-A581 HydrophobicContact CE2-CB 3.38Å; K579-A581 VanDerWaalsContact C-N 3.32Å; K579-A581 PolarHBondContact O-N 3.17Å; A581-T583 VanDerWaalsContact C-N 3.3Å; A581-T583 PolarHBondContact O-N 2.91Å; A581-S584 PolarHBondContact O-N 3.09Å; A581-Y588 HydrophobicContact CB-CE1 4.22Å; A581-L592 HydrophobicContact CB-CD1 3.98Å; A581-F603 HydrophobicContact CB-CZ 4.49Å
582	N	94.7	Very high	95.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.4	-178.1	-76.6	-41.9	0	0	0	113.8	K579 R593 F603 Y605 N608 I685 R688	K579-N582 PolarHBondContact O-N 3.11Å; K579-N582 VanDerWaalsContact O-N 3.15Å; N582-R593 VanDerWaalsContact OD1-CZ 3.27Å; N582-R593 PolarHBondContact OD1-NH1 2.89Å; N582-R593 PolarHBondContact OD1-NH2 3.27Å; N582-F603 WeakPolarHBondContact OD1-CE1 3.31Å; N582-Y605 WeakPolarHBondContact ND2-CD2 3.47Å; N582-Y605 WeakPolarHBondContact ND2-CE2 3.38Å; N582-N608 PolarHBondContact ND2-ND2 3.05Å; N582-I685 HydrophobicContact CB-CD1 4.15Å; N582-I685 HydrophobicContact CB-CG1 3.79Å; N582-R688 PolarHBondContact O-NH1 2.92Å
583	T	93.8	Very high	95.2	Very high	20 Å²	20	32.3 Å²	32.3	12%	0.123	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	11	176.5	64.8	0	0	0	0	113	K579 K580 A581 R681 L684 I685	K579-T583 PolarHBondContact O-N 3.31Å; K579-T583 PolarHBondContact O-OG1 3.48Å; K580-T583 PolarHBondContact O-N 3.35Å; A581-T583 VanDerWaalsContact C-N 3.3Å; A581-T583 PolarHBondContact O-N 2.91Å; T583-R681 HydrophobicContact CG2-CB 3.81Å; T583-R681 HydrophobicContact CG2-CG 3.95Å; T583-R681 WeakPolarHBondContact CG2-O 3.16Å; T583-L684 HydrophobicContact CG2-CD2 4.28Å; T583-I685 HydrophobicContact CG2-CD1 3.86Å; T583-I685 HydrophobicContact CG2-CG1 3.74Å
584	S	94.2	Very high	95.2	Very high	32 Å²	32	36.9 Å²	36.9	22%	0.224	19%	0.185	C	C	.	.	S	Bend	trans	-75.6	-167.9	170.3	-162.6	0	0	0	0	110.1	K580 A581 R688	K580-S584 PolarHBondContact O-N 2.9Å; A581-S584 PolarHBondContact O-N 3.09Å; S584-R688 PolarHBondContact O-NH1 3.11Å; S584-R688 PolarHBondContact O-NH2 3.32Å; S584-R688 VanDerWaalsContact O-NH2 3.15Å
585	S	95.1	Very high	95.1	Very high	50 Å²	50	37 Å²	37	35%	0.35	19%	0.186	S	C	.	.			trans	-58.6	153.2	177	64.1	0	0	0	0	112.8	D587 Y588 Y589	S585-D587 PolarHBondContact O-N 2.87Å; S585-Y588 PolarHBondContact O-N 3.43Å; S585-Y588 VanDerWaalsContact O-N 3.11Å; S585-Y588 PolarHBondContact OG-N 3.46Å; S585-Y589 PolarHBondContact O-N 3.08Å
586	M	94.3	Very high	94.9	Very high	22 Å²	22	37.6 Å²	37.6	11%	0.108	19%	0.191	C	C	.	.	H	α-helix	trans	-56	-38.3	172.6	-79.7	-58.4	-57.9	0	0	112.3	Y588 Y589 H590 R688 E693 E695	M586-Y588 VanDerWaalsContact C-N 3.32Å; M586-Y588 PolarHBondContact O-N 3.28Å; M586-Y589 HydrophobicContact CE-CD1 4.28Å; M586-Y589 WeakPolarHBondContact O-CB 3.37Å; M586-Y589 PolarHBondContact O-N 3.44Å; M586-H590 WeakPolarHBondContact CE-NE2 3.5Å; M586-H590 PolarHBondContact O-CD2 2.93Å; M586-H590 PolarHBondContact O-N 3.09Å; M586-R688 HydrophobicContact SD-CG 4.25Å; M586-R688 VanDerWaalsContact SD-CZ 3.52Å; M586-R688 PolarHBondContact SD-NE 3.28Å; M586-E693 HydrophobicContact CE-CB 3.93Å; M586-E693 HydrophobicContact CE-CG 3.84Å; M586-E695 WeakPolarHBondContact CB-OE1 3.36Å; M586-E695 HydrophobicContact CG-CG 4.33Å; M586-E695 WeakPolarHBondContact CG-OE1 3.21Å; M586-E695 PolarHBondContact N-OE1 3.4Å
587	D	95.6	Very high	94.7	Very high	133 Å²	133	44.7 Å²	44.7	71%	0.711	22%	0.224	S	C	*	.	H	α-helix	trans	-57.3	-45.4	175	-72	-20.9	0	0	0	112	S585 L591	S585-D587 PolarHBondContact O-N 2.87Å; D587-L591 VanDerWaalsContact O-CB 3.28Å; D587-L591 WeakPolarHBondContact O-CB 3.21Å; D587-L591 PolarHBondContact O-N 2.91Å
588	Y	96.1	Very high	94.5	Very high	27 Å²	27	51.6 Å²	51.6	11%	0.106	25%	0.252	C	S	.	.	H	α-helix	trans	-70.7	-37.9	177.8	-168.9	-112.7	0	0	0	111.6	A561 D562 Y564 A565 A581 S585 M586 H590 L591 L592	A561-Y588 PolarHBondContact O-OH 3.33Å; D562-Y588 WeakPolarHBondContact CA-OH 3.25Å; D562-Y588 PolarHBondContact O-OH 3.24Å; D562-Y588 VanDerWaalsContact O-OH 3.08Å; Y564-Y588 PolarHBondContact N-OH 3.3Å; A565-Y588 HydrophobicContact CB-CE2 4.21Å; A581-Y588 HydrophobicContact CB-CE1 4.22Å; S585-Y588 PolarHBondContact O-N 3.43Å; S585-Y588 VanDerWaalsContact O-N 3.11Å; S585-Y588 PolarHBondContact OG-N 3.46Å; M586-Y588 VanDerWaalsContact C-N 3.32Å; M586-Y588 PolarHBondContact O-N 3.28Å; Y588-H590 PolarHBondContact O-N 2.86Å; Y588-L591 HydrophobicContact CD2-CD2 4Å; Y588-L591 HydrophobicContact CE2-CD2 4.25Å; Y588-L591 PolarHBondContact O-N 3.36Å; Y588-L592 HydrophobicContact CD1-CD1 3.89Å; Y588-L592 HydrophobicContact CD1-CG 4.25Å; Y588-L592 HydrophobicContact CE1-CD1 3.59Å; Y588-L592 HydrophobicContact CE1-CD2 4.15Å; Y588-L592 HydrophobicContact CE1-CG 3.93Å; Y588-L592 HydrophobicContact CE2-CD2 4.46Å; Y588-L592 HydrophobicContact CE2-CG 4.5Å; Y588-L592 WeakPolarHBondContact O-CG 3.26Å; Y588-L592 PolarHBondContact O-N 3.47Å
589	Y	95.1	Very high	94.2	Very high	22 Å²	22	52.7 Å²	52.7	9%	0.086	26%	0.26	C	S	.	.	H	α-helix	trans	-54.6	-51.3	173.4	179.4	-85.8	0	0	0	110.8	S585 M586 L592 R593 R688 E689	S585-Y589 PolarHBondContact O-N 3.08Å; M586-Y589 HydrophobicContact CE-CD1 4.28Å; M586-Y589 WeakPolarHBondContact O-CB 3.37Å; M586-Y589 PolarHBondContact O-N 3.44Å; Y589-L592 PolarHBondContact O-N 2.94Å; Y589-R593 VanDerWaalsContact CD2-CZ 3.45Å; Y589-R593 VanDerWaalsContact CD2-NH1 3.3Å; Y589-R593 WeakPolarHBondContact O-CD 3.13Å; Y589-R593 PolarHBondContact O-N 2.86Å; Y589-R593 PolarHBondContact O-NH1 2.9Å; Y589-R593 PolarHBondContact OH-NE 2.72Å; Y589-R593 PolarHBondContact OH-NH2 2.81Å; Y589-R688 HydrophobicContact CD2-CB 4.39Å; Y589-R688 HydrophobicContact CE1-CB 4.46Å; Y589-R688 HydrophobicContact CE2-CB 3.65Å; Y589-R688 HydrophobicContact CE2-CG 4.3Å; Y589-E689 PolarHBondContact OH-OE1 2.82Å
590	H	95.2	Very high	94	Very high	85 Å²	85	60.9 Å²	60.9	39%	0.394	29%	0.29	S	S	.	.	H	α-helix	trans	-65.6	-41.4	176.8	-68.2	-57.8	0	0	0	112.7	M586 Y588 L592 R593 H594	M586-H590 WeakPolarHBondContact CE-NE2 3.5Å; M586-H590 PolarHBondContact O-CD2 2.93Å; M586-H590 PolarHBondContact O-N 3.09Å; Y588-H590 PolarHBondContact O-N 2.86Å; H590-L592 VanDerWaalsContact C-N 3.26Å; H590-L592 PolarHBondContact O-N 3.19Å; H590-R593 PolarHBondContact O-N 3.06Å; H590-H594 WeakPolarHBondContact O-CB 3.18Å; H590-H594 PolarHBondContact O-N 3.37Å
591	L	96.6	Very high	93.8	Very high	69 Å²	69	60 Å²	60	36%	0.361	28%	0.284	S	S	.	.	H	α-helix	trans	-56.5	-40.9	177.9	-177.7	64.6	0	0	0	111.9	A565 D587 Y588 A595	A565-L591 HydrophobicContact CB-CD2 4.11Å; A565-L591 HydrophobicContact CB-CG 4.12Å; D587-L591 VanDerWaalsContact O-CB 3.28Å; D587-L591 WeakPolarHBondContact O-CB 3.21Å; D587-L591 PolarHBondContact O-N 2.91Å; Y588-L591 HydrophobicContact CD2-CD2 4Å; Y588-L591 HydrophobicContact CE2-CD2 4.25Å; Y588-L591 PolarHBondContact O-N 3.36Å; L591-A595 WeakPolarHBondContact O-CB 3.34Å; L591-A595 PolarHBondContact O-N 3.03Å
592	L	95.8	Very high	93.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-46.2	177.4	-72.8	172.9	0	0	0	112.5	Y564 A565 L568 A581 Y588 Y589 H590 A595 A596 F603	Y564-L592 VanDerWaalsContact CB-CD2 3.45Å; A565-L592 HydrophobicContact CB-CD2 3.99Å; L568-L592 HydrophobicContact CD1-CD2 4.19Å; A581-L592 HydrophobicContact CB-CD1 3.98Å; Y588-L592 HydrophobicContact CD1-CD1 3.89Å; Y588-L592 HydrophobicContact CD1-CG 4.25Å; Y588-L592 HydrophobicContact CE1-CD1 3.59Å; Y588-L592 HydrophobicContact CE1-CD2 4.15Å; Y588-L592 HydrophobicContact CE1-CG 3.93Å; Y588-L592 HydrophobicContact CE2-CD2 4.46Å; Y588-L592 HydrophobicContact CE2-CG 4.5Å; Y588-L592 WeakPolarHBondContact O-CG 3.26Å; Y588-L592 PolarHBondContact O-N 3.47Å; Y589-L592 PolarHBondContact O-N 2.94Å; H590-L592 VanDerWaalsContact C-N 3.26Å; H590-L592 PolarHBondContact O-N 3.19Å; L592-A595 PolarHBondContact O-N 2.72Å; L592-A596 WeakPolarHBondContact O-CB 3.39Å; L592-A596 PolarHBondContact O-N 2.8Å; L592-F603 HydrophobicContact CD1-CE1 4.19Å; L592-F603 HydrophobicContact CD1-CZ 4.42Å
593	R	94.6	Very high	93.9	Very high	57 Å²	57	65.1 Å²	65.1	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-44	179.4	-79.9	79.2	-176.9	147.6	5.4	110.5	N582 Y589 H590 A595 A596 E597 Y605 E689	N582-R593 VanDerWaalsContact OD1-CZ 3.27Å; N582-R593 PolarHBondContact OD1-NH1 2.89Å; N582-R593 PolarHBondContact OD1-NH2 3.27Å; Y589-R593 VanDerWaalsContact CD2-CZ 3.45Å; Y589-R593 VanDerWaalsContact CD2-NH1 3.3Å; Y589-R593 WeakPolarHBondContact O-CD 3.13Å; Y589-R593 PolarHBondContact O-N 2.86Å; Y589-R593 PolarHBondContact O-NH1 2.9Å; Y589-R593 PolarHBondContact OH-NE 2.72Å; Y589-R593 PolarHBondContact OH-NH2 2.81Å; H590-R593 PolarHBondContact O-N 3.06Å; R593-A595 PolarHBondContact O-N 3.34Å; R593-A596 PolarHBondContact O-N 3.34Å; R593-E597 WeakPolarHBondContact O-CB 3.3Å; R593-E597 PolarHBondContact O-N 2.94Å; R593-Y605 PolarHBondContact NH2-OH 3.08Å; R593-E689 IonicContact NH2-OE1 3.28Å; R593-E689 PolarHBondContact NH2-OE1 3.18Å
594	H	95.6	Very high	94	Very high	106 Å²	106	65 Å²	65	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-63.6	-40.3	176.3	-172.1	66.2	0	0	0	112.3	H590 K598	H590-H594 WeakPolarHBondContact O-CB 3.18Å; H590-H594 PolarHBondContact O-N 3.37Å; H594-K598 WeakPolarHBondContact O-CB 3.36Å; H594-K598 PolarHBondContact O-N 3.31Å
595	A	95.3	Very high	94.1	Very high	4 Å²	4	64 Å²	64	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-46.3	176.3	0	0	0	0	0	111.7	A565 L568 R569 L591 L592 R593 S599	A565-A595 HydrophobicContact CB-CB 4.45Å; L568-A595 HydrophobicContact CB-CB 4.07Å; L568-A595 HydrophobicContact CD1-CB 4.28Å; R569-A595 HydrophobicContact CG-CB 4.24Å; L591-A595 WeakPolarHBondContact O-CB 3.34Å; L591-A595 PolarHBondContact O-N 3.03Å; L592-A595 PolarHBondContact O-N 2.72Å; R593-A595 PolarHBondContact O-N 3.34Å; A595-S599 WeakPolarHBondContact O-CB 3.39Å; A595-S599 PolarHBondContact O-N 3.46Å; A595-S599 PolarHBondContact O-OG 3.26Å
596	A	94.1	Very high	94	Very high	12 Å²	12	62.1 Å²	62.1	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-46.6	176.2	0	0	0	0	0	112.2	L568 L592 R593 R600 R601 F603	L568-A596 HydrophobicContact CD1-CB 4.05Å; L568-A596 HydrophobicContact CD2-CB 4.15Å; L592-A596 WeakPolarHBondContact O-CB 3.39Å; L592-A596 PolarHBondContact O-N 2.8Å; R593-A596 PolarHBondContact O-N 3.34Å; A596-R600 WeakPolarHBondContact O-CA 3.36Å; A596-R600 PolarHBondContact O-N 3.07Å; A596-R601 CarbonylContact C-O 3.51Å; A596-R601 WeakPolarHBondContact CB-O 3.33Å; A596-R601 PolarHBondContact O-N 3.35Å; A596-R601 VanDerWaalsContact O-O 3.11Å; A596-F603 HydrophobicContact CB-CB 4.42Å
597	E	92.2	Very high	94	Very high	149 Å²	149	61.4 Å²	61.4	70%	0.696	28%	0.28	S	S	*	.	H	α-helix	trans	-62.7	-50.1	178.2	-174.5	-177.6	-168.8	0	0	111.5	R593 S599 R600	R593-E597 WeakPolarHBondContact O-CB 3.3Å; R593-E597 PolarHBondContact O-N 2.94Å; E597-S599 PolarHBondContact O-N 3.32Å; E597-R600 PolarHBondContact O-N 3.39Å; E597-R600 VanDerWaalsContact O-N 3.12Å
598	K	91.5	Very high	93.8	Very high	166 Å²	166	55.1 Å²	55.1	72%	0.722	25%	0.246	S	C	*	.	H	α-helix	trans	-63.7	-39	-177.5	-172.8	176.1	-177.6	176.8	0	112.5	H594 R600	H594-K598 WeakPolarHBondContact O-CB 3.36Å; H594-K598 PolarHBondContact O-N 3.31Å; K598-R600 VanDerWaalsContact C-N 3.33Å
599	S	87.6	Confident	93.5	Very high	32 Å²	32	53.9 Å²	53.9	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-86.3	-3.8	177.3	71.2	0	0	0	0	113.8	L568 A595 E597 R601	L568-S599 WeakPolarHBondContact O-CB 3.33Å; L568-S599 PolarHBondContact O-OG 3.47Å; A595-S599 WeakPolarHBondContact O-CB 3.39Å; A595-S599 PolarHBondContact O-N 3.46Å; A595-S599 PolarHBondContact O-OG 3.26Å; E597-S599 PolarHBondContact O-N 3.32Å; S599-R601 PolarHBondContact O-N 2.98Å; S599-R601 WeakPolarHBondContact OG-CB 3.5Å; S599-R601 WeakPolarHBondContact OG-CG 3.31Å
600	R	87.8	Confident	93.1	Very high	226 Å²	226	52.9 Å²	52.9	85%	0.853	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	36.1	-172.8	-57.5	-176.3	177	-167.9	-1	112.6	A596 E597 K598	A596-R600 WeakPolarHBondContact O-CA 3.36Å; A596-R600 PolarHBondContact O-N 3.07Å; E597-R600 PolarHBondContact O-N 3.39Å; E597-R600 VanDerWaalsContact O-N 3.12Å; K598-R600 VanDerWaalsContact C-N 3.33Å
601	R	90.6	Very high	92.7	Very high	47 Å²	47	49.2 Å²	49.2	18%	0.177	22%	0.222	C	C	.	.			trans	-106.8	156.5	175.2	-61	-59.2	175.7	163.1	9	110.4	L568 G571 F572 H573 A596 S599	L568-R601 HydrophobicContact CD2-CB 3.96Å; G571-R601 WeakPolarHBondContact O-CD 3.42Å; G571-R601 PolarHBondContact O-NE 2.94Å; G571-R601 PolarHBondContact O-NH2 2.94Å; F572-R601 WeakPolarHBondContact O-CB 3.37Å; H573-R601 VanDerWaalsContact NE2-CD 3.35Å; H573-R601 WeakPolarHBondContact NE2-CD 3.46Å; H573-R601 PolarHBondContact NE2-NH1 2.82Å; A596-R601 CarbonylContact C-O 3.51Å; A596-R601 WeakPolarHBondContact CB-O 3.33Å; A596-R601 PolarHBondContact O-N 3.35Å; A596-R601 VanDerWaalsContact O-O 3.11Å; S599-R601 PolarHBondContact O-N 2.98Å; S599-R601 WeakPolarHBondContact OG-CB 3.5Å; S599-R601 WeakPolarHBondContact OG-CG 3.31Å
602	K	94.1	Very high	92.1	Very high	88 Å²	88	47.2 Å²	47.2	38%	0.383	22%	0.219	S	C	.	.			trans	-97.6	132.1	-177.2	-57.7	-174.2	-171.7	176.9	0	108.9	H573 V574 L604 R812 L814	H573-K602 WeakPolarHBondContact CA-O 3.44Å; H573-K602 WeakPolarHBondContact ND1-CB 3.49Å; H573-K602 PolarHBondContact ND1-N 2.84Å; V574-K602 PolarHBondContact N-O 3.24Å; K602-L604 HydrophobicContact CB-CD1 4.37Å; K602-L604 HydrophobicContact CB-CD2 4.26Å; K602-L604 HydrophobicContact CB-CG 4.07Å; K602-R812 WeakPolarHBondContact CD-O 3.34Å; K602-R812 PolarHBondContact NZ-O 2.99Å; K602-L814 PolarHBondContact NZ-O 2.9Å
603	F	96.5	Very high	91.9	Very high	21 Å²	21	48.5 Å²	48.5	9%	0.092	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.3	165.1	174	-134.4	0	0	0	107.7	Y564 L568 V574 T576 A581 N582 L592 A596 Y605	Y564-F603 AromaticContact CD2-CE2 3.84Å; Y564-F603 HydrophobicContact CD2-CE2 3.84Å; Y564-F603 HydrophobicContact CD2-CZ 4.22Å; Y564-F603 HydrophobicContact CE2-CE2 4.1Å; Y564-F603 HydrophobicContact CE2-CZ 4.49Å; L568-F603 HydrophobicContact CD1-CB 4.34Å; L568-F603 HydrophobicContact CD2-CB 4.36Å; V574-F603 HydrophobicContact CB-CD2 3.95Å; V574-F603 HydrophobicContact CG1-CD2 3.9Å; V574-F603 HydrophobicContact CG1-CE2 4.08Å; V574-F603 CarbonylContact O-C 3.57Å; V574-F603 WeakPolarHBondContact O-CA 3.37Å; T576-F603 HydrophobicContact CG2-CE2 3.82Å; T576-F603 HydrophobicContact CG2-CZ 4.43Å; A581-F603 HydrophobicContact CB-CZ 4.49Å; N582-F603 WeakPolarHBondContact OD1-CE1 3.31Å; L592-F603 HydrophobicContact CD1-CE1 4.19Å; L592-F603 HydrophobicContact CD1-CZ 4.42Å; A596-F603 HydrophobicContact CB-CB 4.42Å; F603-Y605 AromaticContact CD1-CD1 3.53Å; F603-Y605 HydrophobicContact CD1-CD1 3.53Å; F603-Y605 AromaticContact CD1-CE1 3.35Å; F603-Y605 HydrophobicContact CD1-CE1 3.35Å; F603-Y605 AromaticContact CD2-CD1 3.99Å; F603-Y605 HydrophobicContact CD2-CD1 3.99Å; F603-Y605 AromaticContact CE1-CD1 3.32Å; F603-Y605 HydrophobicContact CE1-CD1 3.32Å; F603-Y605 AromaticContact CE1-CE1 3.38Å; F603-Y605 HydrophobicContact CE1-CE1 3.38Å; F603-Y605 HydrophobicContact CE1-CG 4.25Å; F603-Y605 AromaticContact CE2-CD1 3.81Å; F603-Y605 HydrophobicContact CE2-CD1 3.81Å; F603-Y605 AromaticContact CG-CD1 3.87Å; F603-Y605 HydrophobicContact CG-CD1 3.87Å; F603-Y605 AromaticContact CG-CE1 3.99Å; F603-Y605 HydrophobicContact CG-CE1 3.99Å; F603-Y605 AromaticContact CZ-CD1 3.46Å; F603-Y605 HydrophobicContact CZ-CD1 3.46Å; F603-Y605 VanDerWaalsContact CZ-CD1 3.46Å; F603-Y605 HydrophobicContact CZ-CE1 4.04Å; F603-Y605 HydrophobicContact CZ-CG 4.12Å
604	L	96.3	Very high	91.7	Very high	16 Å²	16	48.2 Å²	48.2	8%	0.084	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.8	-174.6	-54.6	174.3	0	0	0	109.3	V574 V575 T576 K602 D809 R812 T813	V574-L604 PolarHBondContact O-N 3.05Å; V575-L604 CarbonylContact C-O 3.49Å; V575-L604 VanDerWaalsContact CA-O 3.27Å; V575-L604 WeakPolarHBondContact CA-O 3.34Å; V575-L604 HydrophobicContact CG2-CB 4.25Å; V575-L604 HydrophobicContact CG2-CD1 4.34Å; T576-L604 PolarHBondContact N-O 3.31Å; K602-L604 HydrophobicContact CB-CD1 4.37Å; K602-L604 HydrophobicContact CB-CD2 4.26Å; K602-L604 HydrophobicContact CB-CG 4.07Å; L604-D809 HydrophobicContact CB-CB 3.95Å; L604-D809 HydrophobicContact CD1-CB 4.11Å; L604-D809 WeakPolarHBondContact CD1-O 3.49Å; L604-R812 HydrophobicContact CD1-CB 3.81Å; L604-T813 HydrophobicContact CD1-CG2 4.12Å
605	Y	95.6	Very high	91.6	Very high	11 Å²	11	43.2 Å²	43.2	4%	0.043	21%	0.207	C	C	.	.			trans	-156.7	34.6	-170	48.8	-89.9	0	0	0	110.1	T576 N582 R593 F603 T607 N608 I616 I685 E689	T576-Y605 WeakPolarHBondContact O-CA 3.07Å; N582-Y605 WeakPolarHBondContact ND2-CD2 3.47Å; N582-Y605 WeakPolarHBondContact ND2-CE2 3.38Å; R593-Y605 PolarHBondContact NH2-OH 3.08Å; F603-Y605 AromaticContact CD1-CD1 3.53Å; F603-Y605 HydrophobicContact CD1-CD1 3.53Å; F603-Y605 AromaticContact CD1-CE1 3.35Å; F603-Y605 HydrophobicContact CD1-CE1 3.35Å; F603-Y605 AromaticContact CD2-CD1 3.99Å; F603-Y605 HydrophobicContact CD2-CD1 3.99Å; F603-Y605 AromaticContact CE1-CD1 3.32Å; F603-Y605 HydrophobicContact CE1-CD1 3.32Å; F603-Y605 AromaticContact CE1-CE1 3.38Å; F603-Y605 HydrophobicContact CE1-CE1 3.38Å; F603-Y605 HydrophobicContact CE1-CG 4.25Å; F603-Y605 AromaticContact CE2-CD1 3.81Å; F603-Y605 HydrophobicContact CE2-CD1 3.81Å; F603-Y605 AromaticContact CG-CD1 3.87Å; F603-Y605 HydrophobicContact CG-CD1 3.87Å; F603-Y605 AromaticContact CG-CE1 3.99Å; F603-Y605 HydrophobicContact CG-CE1 3.99Å; F603-Y605 AromaticContact CZ-CD1 3.46Å; F603-Y605 HydrophobicContact CZ-CD1 3.46Å; F603-Y605 VanDerWaalsContact CZ-CD1 3.46Å; F603-Y605 HydrophobicContact CZ-CE1 4.04Å; F603-Y605 HydrophobicContact CZ-CG 4.12Å; Y605-T607 PolarHBondContact O-N 3.11Å; Y605-T607 VanDerWaalsContact O-N 3.16Å; Y605-N608 VanDerWaalsContact O-CB 3.26Å; Y605-N608 WeakPolarHBondContact O-CB 3.33Å; Y605-N608 PolarHBondContact O-N 3.11Å; Y605-I616 HydrophobicContact CD2-CG1 4.44Å; Y605-I616 HydrophobicContact CD2-CG2 4.4Å; Y605-I616 HydrophobicContact CE2-CG2 3.86Å; Y605-I685 HydrophobicContact CE2-CG2 4.46Å; Y605-E689 HydrophobicContact CE2-CG 4.47Å; Y605-E689 PolarHBondContact OH-OE1 3.47Å; Y605-E689 PolarHBondContact OH-OE2 3.45Å; Y605-E689 VanDerWaalsContact OH-OE2 3.08Å
606	D	93.8	Very high	91.5	Very high	11 Å²	11	43.1 Å²	43.1	6%	0.059	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-58.5	-34.7	-175.9	-162.9	45.5	0	0	0	110.5	N608 V609 P614 V615 I616 E617 D809	D606-N608 PolarHBondContact O-N 3.08Å; D606-V609 PolarHBondContact O-N 3.2Å; D606-V609 VanDerWaalsContact O-O 3.11Å; D606-P614 VanDerWaalsContact OD2-CA 3.25Å; D606-P614 WeakPolarHBondContact OD2-CA 3.48Å; D606-V615 PolarHBondContact OD1-N 3.02Å; D606-I616 WeakPolarHBondContact OD1-CA 3.24Å; D606-I616 VanDerWaalsContact OD1-CB 3.31Å; D606-I616 WeakPolarHBondContact OD1-CB 3.43Å; D606-I616 PolarHBondContact OD1-N 3.36Å; D606-E617 PolarHBondContact OD1-N 3.01Å; D606-D809 WeakPolarHBondContact CB-OD2 3.43Å; D606-D809 PolarHBondContact N-OD2 3.15Å; D606-D809 VanDerWaalsContact N-OD2 3.14Å
607	T	93.1	Very high	91.4	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.043	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-68.9	-10.1	177.5	67.2	0	0	0	0	116.2	T576 P577 Y605 V609 A611 V806	T576-T607 PolarHBondContact O-OG1 2.83Å; P577-T607 WeakPolarHBondContact CA-OG1 3.27Å; P577-T607 WeakPolarHBondContact CB-OG1 3.4Å; Y605-T607 PolarHBondContact O-N 3.11Å; Y605-T607 VanDerWaalsContact O-N 3.16Å; T607-V609 PolarHBondContact O-N 2.97Å; T607-A611 WeakPolarHBondContact CA-O 3.5Å; T607-A611 WeakPolarHBondContact CB-O 3.49Å; T607-A611 WeakPolarHBondContact CG2-O 3.45Å; T607-V806 HydrophobicContact CG2-CG2 3.82Å; T607-V806 VanDerWaalsContact CG2-N 3.34Å
608	N	92.3	Very high	91.4	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.011	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-61.6	-29.4	174.9	-80.7	10.5	0	0	0	112	T576 P577 K579 N582 Y605 D606 I685	T576-N608 PolarHBondContact O-OD1 2.84Å; P577-N608 VanDerWaalsContact C-OD1 3.24Å; P577-N608 PolarHBondContact O-OD1 3.18Å; K579-N608 HydrophobicContact CG-CB 3.93Å; N582-N608 PolarHBondContact ND2-ND2 3.05Å; Y605-N608 VanDerWaalsContact O-CB 3.26Å; Y605-N608 WeakPolarHBondContact O-CB 3.33Å; Y605-N608 PolarHBondContact O-N 3.11Å; D606-N608 PolarHBondContact O-N 3.08Å; N608-I685 HydrophobicContact CB-CD1 3.85Å
609	V	90.5	Very high	91.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	120.3	-179.4	-173.9	0	0	0	0	109	D606 T607 V615 I616 L636 K682 I685 L686 L778	D606-V609 PolarHBondContact O-N 3.2Å; D606-V609 VanDerWaalsContact O-O 3.11Å; T607-V609 PolarHBondContact O-N 2.97Å; V609-V615 HydrophobicContact CB-CB 4.44Å; V609-V615 HydrophobicContact CB-CG1 4.23Å; V609-V615 HydrophobicContact CG1-CB 4.42Å; V609-V615 HydrophobicContact CG1-CG1 3.9Å; V609-V615 WeakPolarHBondContact O-CB 3.25Å; V609-V615 WeakPolarHBondContact O-CG2 3.32Å; V609-I616 HydrophobicContact CB-CD1 4.27Å; V609-I616 HydrophobicContact CG2-CD1 4.06Å; V609-L636 HydrophobicContact CG1-CD2 4.08Å; V609-K682 HydrophobicContact CG1-CB 4.48Å; V609-K682 HydrophobicContact CG2-CB 4.17Å; V609-K682 HydrophobicContact CG2-CG 4.35Å; V609-I685 HydrophobicContact CG2-CB 4.18Å; V609-I685 HydrophobicContact CG2-CG2 4.07Å; V609-L686 HydrophobicContact CG1-CD1 4.05Å; V609-L686 HydrophobicContact CG1-CD2 4.26Å; V609-L686 HydrophobicContact CG1-CG 4.2Å; V609-L686 HydrophobicContact CG2-CG 4.31Å; V609-L778 HydrophobicContact CG1-CD2 3.8Å
610	G	86.7	Confident	91.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.01	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	11.2	178.2	0	0	0	0	0	115.6	G612 L613	G610-G612 PolarHBondContact O-N 3.16Å; G610-L613 WeakPolarHBondContact O-CB 3.36Å; G610-L613 WeakPolarHBondContact O-CG 3.15Å; G610-L613 PolarHBondContact O-N 3.38Å
611	A	85.2	Confident	92	Very high	8 Å²	8	26.5 Å²	26.5	7%	0.066	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-90.9	176.7	0	0	0	0	0	113.6	T607 V801 T802	T607-A611 WeakPolarHBondContact CA-O 3.5Å; T607-A611 WeakPolarHBondContact CB-O 3.49Å; T607-A611 WeakPolarHBondContact CG2-O 3.45Å; A611-V801 HydrophobicContact CB-CG1 4.49Å; A611-T802 WeakPolarHBondContact CB-OG1 3.45Å
612	G	85.9	Confident	92.1	Very high	28 Å²	28	25.7 Å²	25.7	29%	0.289	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-1.2	176.6	0	0	0	0	0	113.8	G610 V801	G610-G612 PolarHBondContact O-N 3.16Å; G612-V801 WeakPolarHBondContact CA-O 3.26Å
613	L	90.5	Very high	92.1	Very high	26 Å²	26	23.8 Å²	23.8	14%	0.136	13%	0.133	C	C	.	.	S	Bend	trans	-73.2	137.4	175.7	-67.4	174	0	0	0	110.1	G610 V615 N776 L778	G610-L613 WeakPolarHBondContact O-CB 3.36Å; G610-L613 WeakPolarHBondContact O-CG 3.15Å; G610-L613 PolarHBondContact O-N 3.38Å; L613-V615 HydrophobicContact CB-CG2 3.86Å; L613-V615 PolarHBondContact O-N 3.22Å; L613-N776 HydrophobicContact CD1-CB 4.43Å; L613-L778 HydrophobicContact CD1-CD1 4.31Å
614	P	91.2	Very high	91.9	Very high	52 Å²	52	29.3 Å²	29.3	34%	0.338	16%	0.163	S	C	.	.			trans	-77.3	67.5	-179.7	31.6	-35.1	0	0	0	112.1	D606 N618	D606-P614 VanDerWaalsContact OD2-CA 3.25Å; D606-P614 WeakPolarHBondContact OD2-CA 3.48Å; P614-N618 VanDerWaalsContact O-CB 3.28Å; P614-N618 WeakPolarHBondContact O-CB 3.34Å; P614-N618 VanDerWaalsContact O-CG 3.26Å; P614-N618 PolarHBondContact O-N 2.72Å; P614-N618 PolarHBondContact O-ND2 2.85Å
615	V	93.2	Very high	91.7	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-80	-56.7	-171.6	177.3	0	0	0	0	111.4	D606 V609 L613 N618 L619 L686 L778 F780 L792	D606-V615 PolarHBondContact OD1-N 3.02Å; V609-V615 HydrophobicContact CB-CB 4.44Å; V609-V615 HydrophobicContact CB-CG1 4.23Å; V609-V615 HydrophobicContact CG1-CB 4.42Å; V609-V615 HydrophobicContact CG1-CG1 3.9Å; V609-V615 WeakPolarHBondContact O-CB 3.25Å; V609-V615 WeakPolarHBondContact O-CG2 3.32Å; L613-V615 HydrophobicContact CB-CG2 3.86Å; L613-V615 PolarHBondContact O-N 3.22Å; V615-N618 PolarHBondContact O-N 2.84Å; V615-L619 WeakPolarHBondContact O-CB 3.46Å; V615-L619 PolarHBondContact O-N 2.86Å; V615-L686 HydrophobicContact CG1-CD2 3.73Å; V615-L778 HydrophobicContact CB-CD2 4.37Å; V615-L778 HydrophobicContact CG1-CD2 3.53Å; V615-L778 HydrophobicContact CG2-CD1 4.09Å; V615-L778 HydrophobicContact CG2-CD2 3.85Å; V615-F780 HydrophobicContact CG1-CE2 4.43Å; V615-F780 HydrophobicContact CG1-CZ 3.86Å; V615-L792 HydrophobicContact CG2-CD1 4.27Å
616	I	93.7	Very high	91.6	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-69.7	-41.4	-174.2	-56	-59.7	0	0	0	109.4	Y605 D606 V609 N618 L619 Q620 I685 L686 E689	Y605-I616 HydrophobicContact CD2-CG1 4.44Å; Y605-I616 HydrophobicContact CD2-CG2 4.4Å; Y605-I616 HydrophobicContact CE2-CG2 3.86Å; D606-I616 WeakPolarHBondContact OD1-CA 3.24Å; D606-I616 VanDerWaalsContact OD1-CB 3.31Å; D606-I616 WeakPolarHBondContact OD1-CB 3.43Å; D606-I616 PolarHBondContact OD1-N 3.36Å; V609-I616 HydrophobicContact CB-CD1 4.27Å; V609-I616 HydrophobicContact CG2-CD1 4.06Å; I616-N618 PolarHBondContact O-N 3.09Å; I616-L619 PolarHBondContact O-N 2.88Å; I616-Q620 HydrophobicContact CG2-CG 4.21Å; I616-Q620 WeakPolarHBondContact O-CB 3.33Å; I616-Q620 VanDerWaalsContact O-CG 3.27Å; I616-Q620 WeakPolarHBondContact O-CG 3.33Å; I616-Q620 PolarHBondContact O-N 3.25Å; I616-I685 HydrophobicContact CD1-CG2 4Å; I616-L686 HydrophobicContact CD1-CD2 3.87Å; I616-E689 HydrophobicContact CD1-CG 4.45Å; I616-E689 HydrophobicContact CG2-CG 4.3Å
617	E	91.8	Very high	91.6	Very high	41 Å²	41	33.6 Å²	33.6	19%	0.192	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-46.7	176.4	179	167.8	-131.4	0	0	112	D606 Q620 N621 R812	D606-E617 PolarHBondContact OD1-N 3.01Å; E617-Q620 PolarHBondContact O-N 3.45Å; E617-N621 WeakPolarHBondContact O-CB 3.13Å; E617-N621 PolarHBondContact O-N 2.8Å; E617-N621 PolarHBondContact O-ND2 2.86Å; E617-N621 VanDerWaalsContact O-ND2 3.16Å; E617-R812 VanDerWaalsContact CD-CZ 3.49Å; E617-R812 VanDerWaalsContact CD-NH2 3.34Å; E617-R812 IonicContact OE1-CZ 3.7Å; E617-R812 VanDerWaalsContact OE1-CZ 3.23Å; E617-R812 IonicContact OE1-NE 3.13Å; E617-R812 PolarHBondContact OE1-NE 3.39Å; E617-R812 IonicContact OE1-NH2 3.26Å; E617-R812 PolarHBondContact OE1-NH2 3.03Å; E617-R812 IonicContact OE2-CZ 2.85Å; E617-R812 IonicContact OE2-NE 2.97Å
618	N	92.3	Very high	91.5	Very high	52 Å²	52	39.5 Å²	39.5	28%	0.278	24%	0.236	S	C	.	.	H	α-helix	trans	-65.6	-43.4	178.7	-80.6	-36.4	0	0	0	111.8	P614 V615 I616 Q620 N621 L622 L792	P614-N618 VanDerWaalsContact O-CB 3.28Å; P614-N618 WeakPolarHBondContact O-CB 3.34Å; P614-N618 VanDerWaalsContact O-CG 3.26Å; P614-N618 PolarHBondContact O-N 2.72Å; P614-N618 PolarHBondContact O-ND2 2.85Å; V615-N618 PolarHBondContact O-N 2.84Å; I616-N618 PolarHBondContact O-N 3.09Å; N618-Q620 PolarHBondContact O-N 3.37Å; N618-N621 PolarHBondContact O-N 2.81Å; N618-L622 WeakPolarHBondContact O-CG 3.14Å; N618-L622 PolarHBondContact O-N 2.77Å; N618-L792 HydrophobicContact CB-CD1 4.31Å
619	L	93.5	Very high	91.6	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-48.2	176.7	179.2	60.4	0	0	0	111.3	V615 I616 N621 L622 L623 L686 E689 T690 F780	V615-L619 WeakPolarHBondContact O-CB 3.46Å; V615-L619 PolarHBondContact O-N 2.86Å; I616-L619 PolarHBondContact O-N 2.88Å; L619-N621 VanDerWaalsContact C-N 3.31Å; L619-N621 PolarHBondContact O-N 2.84Å; L619-L622 PolarHBondContact O-N 2.65Å; L619-L623 HydrophobicContact CD1-CD1 4.2Å; L619-L623 HydrophobicContact CD1-CG 4.3Å; L619-L623 HydrophobicContact CG-CD1 4.09Å; L619-L623 WeakPolarHBondContact O-CG 3.34Å; L619-L623 PolarHBondContact O-N 3.07Å; L619-L686 HydrophobicContact CD2-CD2 3.92Å; L619-E689 HydrophobicContact CD2-CB 4.09Å; L619-T690 HydrophobicContact CD1-CG2 4.35Å; L619-T690 HydrophobicContact CD2-CG2 4.19Å; L619-F780 HydrophobicContact CD1-CD1 4.07Å; L619-F780 HydrophobicContact CD1-CE1 4.04Å; L619-F780 HydrophobicContact CD2-CE1 4.22Å; L619-F780 HydrophobicContact CG-CE1 4.5Å
620	Q	92.6	Very high	91.7	Very high	52 Å²	52	43.9 Å²	43.9	24%	0.243	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-39.7	176.7	-73.4	174.1	-12.3	0	0	111.8	I616 E617 N618 L623 N624 E689	I616-Q620 HydrophobicContact CG2-CG 4.21Å; I616-Q620 WeakPolarHBondContact O-CB 3.33Å; I616-Q620 VanDerWaalsContact O-CG 3.27Å; I616-Q620 WeakPolarHBondContact O-CG 3.33Å; I616-Q620 PolarHBondContact O-N 3.25Å; E617-Q620 PolarHBondContact O-N 3.45Å; N618-Q620 PolarHBondContact O-N 3.37Å; Q620-L623 PolarHBondContact O-N 3.08Å; Q620-N624 WeakPolarHBondContact O-CB 3.21Å; Q620-N624 PolarHBondContact O-N 3.28Å; Q620-N624 PolarHBondContact O-ND2 2.8Å; Q620-E689 PolarHBondContact NE2-OE2 3.48Å
621	N	92.8	Very high	92	Very high	87 Å²	87	47.4 Å²	47.4	47%	0.465	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-40	176.5	-72.2	-26.9	0	0	0	112.3	E617 N618 L619 A625	E617-N621 WeakPolarHBondContact O-CB 3.13Å; E617-N621 PolarHBondContact O-N 2.8Å; E617-N621 PolarHBondContact O-ND2 2.86Å; E617-N621 VanDerWaalsContact O-ND2 3.16Å; N618-N621 PolarHBondContact O-N 2.81Å; L619-N621 VanDerWaalsContact C-N 3.31Å; L619-N621 PolarHBondContact O-N 2.84Å; N621-A625 WeakPolarHBondContact O-CB 3.31Å; N621-A625 PolarHBondContact O-N 2.87Å; N621-A625 VanDerWaalsContact O-N 3.08Å
622	L	93.1	Very high	92.5	Very high	30 Å²	30	47 Å²	47	16%	0.157	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-51.5	174.7	-68.7	176.7	0	0	0	111.1	N618 L619 N624 A625 G626 D627 Y785 L790	N618-L622 WeakPolarHBondContact O-CG 3.14Å; N618-L622 PolarHBondContact O-N 2.77Å; L619-L622 PolarHBondContact O-N 2.65Å; L622-N624 VanDerWaalsContact C-N 3.35Å; L622-N624 PolarHBondContact O-N 3.14Å; L622-A625 WeakPolarHBondContact O-CB 3.49Å; L622-A625 PolarHBondContact O-N 3.32Å; L622-G626 PolarHBondContact O-N 3.4Å; L622-D627 HydrophobicContact CB-CB 4.09Å; L622-D627 WeakPolarHBondContact O-CB 3.3Å; L622-D627 PolarHBondContact O-N 3.09Å; L622-Y785 HydrophobicContact CD2-CD2 4.24Å; L622-Y785 HydrophobicContact CD2-CE2 3.57Å; L622-L790 HydrophobicContact CD1-CD2 3.79Å
623	L	93.5	Very high	92.9	Very high	48 Å²	48	46.1 Å²	46.1	25%	0.251	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-42.5	-180	-63.7	172.9	0	0	0	111.8	L619 Q620 A625 G626 E689	L619-L623 HydrophobicContact CD1-CD1 4.2Å; L619-L623 HydrophobicContact CD1-CG 4.3Å; L619-L623 HydrophobicContact CG-CD1 4.09Å; L619-L623 WeakPolarHBondContact O-CG 3.34Å; L619-L623 PolarHBondContact O-N 3.07Å; Q620-L623 PolarHBondContact O-N 3.08Å; L623-A625 PolarHBondContact O-N 2.85Å; L623-G626 PolarHBondContact O-N 3.26Å; L623-E689 WeakPolarHBondContact CD1-O 3.17Å
624	N	91.9	Very high	93.1	Very high	137 Å²	137	44.9 Å²	44.9	73%	0.733	25%	0.253	S	S	*	.	H	α-helix	trans	-65.8	-24.2	176.1	-72.9	-32.8	0	0	0	113.2	Q620 L622 G626	Q620-N624 WeakPolarHBondContact O-CB 3.21Å; Q620-N624 PolarHBondContact O-N 3.28Å; Q620-N624 PolarHBondContact O-ND2 2.8Å; L622-N624 VanDerWaalsContact C-N 3.35Å; L622-N624 PolarHBondContact O-N 3.14Å; N624-G626 PolarHBondContact O-N 3.14Å
625	A	92.7	Very high	93.3	Very high	72 Å²	72	42.6 Å²	42.6	60%	0.595	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	3	173	0	0	0	0	0	113	N621 L622 L623	N621-A625 WeakPolarHBondContact O-CB 3.31Å; N621-A625 PolarHBondContact O-N 2.87Å; N621-A625 VanDerWaalsContact O-N 3.08Å; L622-A625 WeakPolarHBondContact O-CB 3.49Å; L622-A625 PolarHBondContact O-N 3.32Å; L623-A625 PolarHBondContact O-N 2.85Å
626	G	92.6	Very high	93.2	Very high	50 Å²	50	42.6 Å²	42.6	52%	0.515	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	19.3	-176.9	0	0	0	0	0	113.6	L622 L623 N624	L622-G626 PolarHBondContact O-N 3.4Å; L623-G626 PolarHBondContact O-N 3.26Å; N624-G626 PolarHBondContact O-N 3.14Å
627	D	94	Very high	93	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.032	24%	0.238	C	C	.	.			trans	-77	154.9	167.4	-158	1	0	0	0	110	L622 S782 H783 Y784	L622-D627 HydrophobicContact CB-CB 4.09Å; L622-D627 WeakPolarHBondContact O-CB 3.3Å; L622-D627 PolarHBondContact O-N 3.09Å; D627-S782 VanDerWaalsContact CG-CB 3.47Å; D627-S782 VanDerWaalsContact OD1-CB 3.26Å; D627-S782 WeakPolarHBondContact OD1-CB 3.26Å; D627-S782 PolarHBondContact OD1-OG 3.43Å; D627-S782 WeakPolarHBondContact OD2-CB 3.41Å; D627-S782 PolarHBondContact OD2-OG 2.66Å; D627-H783 WeakPolarHBondContact OD1-CB 3.39Å; D627-H783 PolarHBondContact OD1-N 3.07Å; D627-H783 VanDerWaalsContact OD1-N 3.09Å; D627-Y784 HydrophobicContact CB-CD2 3.6Å; D627-Y784 HydrophobicContact CB-CE2 3.89Å; D627-Y784 PolarHBondContact OD1-N 3.11Å
628	E	92.4	Very high	92.9	Very high	131 Å²	131	40.9 Å²	40.9	61%	0.612	23%	0.231	S	C	*	.			trans	-126.1	127.9	-179.1	-68	-178.6	178.7	0	0	109.7	M630 S782 H783	E628-M630 PolarHBondContact O-N 2.69Å; E628-S782 CarbonylContact O-C 3.42Å; E628-S782 WeakPolarHBondContact O-CA 3.43Å; E628-S782 VanDerWaalsContact O-CB 3.26Å; E628-S782 WeakPolarHBondContact O-CB 3.49Å; E628-H783 HydrophobicContact CB-CB 4.45Å; E628-H783 PolarHBondContact O-N 2.92Å
629	L	93.3	Very high	92.7	Very high	24 Å²	24	38.9 Å²	38.9	13%	0.126	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	115.2	176.7	-175.6	72.6	0	0	0	109.9	K631 F632 T690 I749 F780	L629-K631 WeakPolarHBondContact CD1-O 3.42Å; L629-F632 HydrophobicContact CD1-CB 4.48Å; L629-F632 HydrophobicContact CD2-CB 4.15Å; L629-T690 HydrophobicContact CB-CG2 4.06Å; L629-T690 HydrophobicContact CD2-CG2 3.36Å; L629-T690 HydrophobicContact CG-CG2 4.34Å; L629-I749 HydrophobicContact CD2-CD1 4.03Å; L629-F780 HydrophobicContact CD1-CB 4.2Å; L629-F780 HydrophobicContact CD1-CD1 3.93Å
630	M	92.9	Very high	92.7	Very high	70 Å²	70	38.8 Å²	38.8	35%	0.345	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-46.6	176.8	-61.2	-62.5	-64.4	0	0	111.2	E628 E751 Y781	E628-M630 PolarHBondContact O-N 2.69Å; M630-E751 WeakPolarHBondContact O-CA 3.34Å; M630-Y781 WeakPolarHBondContact CA-O 3.3Å; M630-Y781 WeakPolarHBondContact CB-O 3.16Å; M630-Y781 PolarHBondContact N-O 3.37Å
631	K	93.8	Very high	92.6	Very high	75 Å²	75	36.5 Å²	36.5	33%	0.326	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	146.9	-177.2	175.6	-177.9	-179.9	-176.4	0	110.4	L629 I749 E751 Y781	L629-K631 WeakPolarHBondContact CD1-O 3.42Å; K631-I749 CarbonylContact C-O 3.5Å; K631-I749 WeakPolarHBondContact CA-O 3.5Å; K631-E751 HydrophobicContact CB-CG 4.31Å; K631-Y781 HydrophobicContact CB-CD2 4.39Å; K631-Y781 HydrophobicContact CB-CG 4.44Å; K631-Y781 HydrophobicContact CD-CD2 4.47Å; K631-Y781 HydrophobicContact CG-CD2 4.26Å; K631-Y781 PolarHBondContact N-O 3.12Å; K631-Y781 WeakPolarHBondContact O-CA 3.43Å; K631-Y781 WeakPolarHBondContact O-CB 3.32Å; K631-Y781 PolarHBondContact O-N 3.4Å; K631-Y781 VanDerWaalsContact O-O 3.1Å
632	F	94.9	Very high	92.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.8	173.1	170.7	-96.9	0	0	0	110.4	L629 L636 L683 L686 G747 N748 I749 L778 A779 F780	L629-F632 HydrophobicContact CD1-CB 4.48Å; L629-F632 HydrophobicContact CD2-CB 4.15Å; F632-L636 HydrophobicContact CE1-CD1 4.44Å; F632-L636 HydrophobicContact CZ-CD2 4.16Å; F632-L683 HydrophobicContact CD1-CD1 3.87Å; F632-L683 HydrophobicContact CE1-CD1 3.93Å; F632-L686 HydrophobicContact CD1-CD1 4.39Å; F632-L686 HydrophobicContact CE1-CD1 3.69Å; F632-L686 HydrophobicContact CE2-CD1 3.93Å; F632-L686 HydrophobicContact CZ-CD1 3.43Å; F632-L686 VanDerWaalsContact CZ-CD1 3.43Å; F632-G747 WeakPolarHBondContact CE1-O 3.17Å; F632-N748 VanDerWaalsContact O-CA 3.27Å; F632-N748 WeakPolarHBondContact O-CA 3.38Å; F632-I749 HydrophobicContact CB-CB 3.91Å; F632-I749 HydrophobicContact CB-CD1 4.08Å; F632-I749 HydrophobicContact CB-CG1 3.98Å; F632-I749 HydrophobicContact CD1-CD1 4.35Å; F632-I749 HydrophobicContact CD1-CG1 4.1Å; F632-I749 HydrophobicContact CG-CD1 4.44Å; F632-I749 HydrophobicContact CG-CG1 4.43Å; F632-I749 PolarHBondContact N-O 3.43Å; F632-I749 PolarHBondContact O-N 3.46Å; F632-L778 HydrophobicContact CE2-CB 3.95Å; F632-L778 HydrophobicContact CE2-CD2 4.12Å; F632-L778 HydrophobicContact CE2-CG 4.35Å; F632-L778 HydrophobicContact CZ-CB 4.34Å; F632-L778 HydrophobicContact CZ-CD2 4.02Å; F632-L778 HydrophobicContact CZ-CG 4.27Å; F632-A779 WeakPolarHBondContact CA-O 3.29Å; F632-A779 WeakPolarHBondContact CD2-O 3.36Å; F632-F780 AromaticContact CD2-CD1 3.65Å; F632-F780 HydrophobicContact CD2-CD1 3.65Å; F632-F780 AromaticContact CD2-CE1 3.58Å; F632-F780 HydrophobicContact CD2-CE1 3.58Å; F632-F780 HydrophobicContact CD2-CG 4.17Å; F632-F780 HydrophobicContact CD2-CZ 4.05Å; F632-F780 HydrophobicContact CE2-CD1 4.15Å; F632-F780 AromaticContact CE2-CE1 3.71Å; F632-F780 HydrophobicContact CE2-CE1 3.71Å; F632-F780 HydrophobicContact CE2-CE2 4.15Å; F632-F780 AromaticContact CE2-CZ 3.71Å; F632-F780 HydrophobicContact CE2-CZ 3.71Å
633	S	94.9	Very high	92.6	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.063	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	135.3	165.8	-167.9	0	0	0	0	109.8	G747 N748 L768 A779	S633-G747 WeakPolarHBondContact CA-O 3.34Å; S633-N748 WeakPolarHBondContact CB-OD1 3.4Å; S633-N748 PolarHBondContact OG-OD1 3.34Å; S633-L768 WeakPolarHBondContact OG-CD1 3.45Å; S633-A779 PolarHBondContact N-O 3.28Å; S633-A779 VanDerWaalsContact N-O 3.08Å; S633-A779 WeakPolarHBondContact O-CB 3.43Å; S633-A779 PolarHBondContact O-N 3.25Å
634	G	94.7	Very high	92.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	146.8	179.6	0	0	0	0	0	115.5	V746 G747 A777	G634-V746 VanDerWaalsContact O-CA 3.32Å; G634-V746 WeakPolarHBondContact O-CA 3.45Å; G634-G747 PolarHBondContact N-O 2.81Å; G634-G747 PolarHBondContact O-N 3.49Å; G634-A777 CarbonylContact C-O 3.42Å; G634-A777 WeakPolarHBondContact CA-O 3.23Å
635	I	94.1	Very high	92.6	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.015	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	106.4	165.3	-63.8	164.1	0	0	0	106.7	R744 V746 L768 V771 N776 A777	I635-R744 HydrophobicContact CD1-CB 4.23Å; I635-R744 HydrophobicContact CD1-CG 4.11Å; I635-R744 HydrophobicContact CG1-CB 4.42Å; I635-V746 HydrophobicContact CG1-CG1 4.09Å; I635-L768 HydrophobicContact CD1-CB 4.02Å; I635-L768 HydrophobicContact CD1-CD2 4.35Å; I635-L768 HydrophobicContact CG1-CD1 4.39Å; I635-L768 HydrophobicContact CG1-CD2 4.38Å; I635-V771 HydrophobicContact CD1-CB 3.62Å; I635-V771 HydrophobicContact CD1-CG1 3.65Å; I635-V771 HydrophobicContact CD1-CG2 4.37Å; I635-N776 VanDerWaalsContact O-CA 3.3Å; I635-N776 WeakPolarHBondContact O-CA 3.39Å; I635-N776 WeakPolarHBondContact O-CB 3.33Å; I635-N776 PolarHBondContact O-OD1 3.28Å; I635-A777 PolarHBondContact N-O 2.73Å; I635-A777 PolarHBondContact O-N 3.12Å; I635-A777 VanDerWaalsContact O-N 3.14Å
636	L	92.4	Very high	92.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.			trans	-104.7	-11.1	-170.5	-59.2	177.5	0	0	0	113.7	V609 F632 V679 K682 L683 L686 N776 L778	V609-L636 HydrophobicContact CG1-CD2 4.08Å; F632-L636 HydrophobicContact CE1-CD1 4.44Å; F632-L636 HydrophobicContact CZ-CD2 4.16Å; L636-V679 HydrophobicContact CB-CG1 4.19Å; L636-V679 HydrophobicContact CB-CG2 4.48Å; L636-V679 HydrophobicContact CD1-CG1 4.16Å; L636-K682 HydrophobicContact CB-CB 4.24Å; L636-K682 HydrophobicContact CB-CD 3.89Å; L636-K682 HydrophobicContact CD1-CB 3.82Å; L636-K682 VanDerWaalsContact O-CD 3.31Å; L636-K682 WeakPolarHBondContact O-CD 3.2Å; L636-K682 PolarHBondContact O-NZ 3.3Å; L636-L683 HydrophobicContact CD1-CB 4.33Å; L636-L686 HydrophobicContact CD2-CD1 4.48Å; L636-N776 PolarHBondContact O-ND2 2.85Å; L636-L778 HydrophobicContact CD2-CD1 4.5Å; L636-L778 HydrophobicContact CD2-CD2 3.66Å; L636-L778 HydrophobicContact CD2-CG 3.88Å
637	S	89.8	Confident	92.7	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.021	9%	0.092	C	C	.	.			trans	-116.3	124.4	179.4	168	0	0	0	0	110.6	S639 L640 S641	S637-S639 PolarHBondContact OG-N 3.06Å; S637-L640 PolarHBondContact OG-N 3.48Å; S637-S641 WeakPolarHBondContact O-CB 3.45Å; S637-S641 PolarHBondContact O-N 3.25Å
638	G	88.5	Confident	92.4	Very high	5 Å²	5	21 Å²	21	5%	0.052	10%	0.103	C	C	.	.	H	α-helix	trans	-65.3	-41.8	174.2	0	0	0	0	0	112	L640 S641 Y642 G774	G638-L640 PolarHBondContact O-N 3.2Å; G638-S641 WeakPolarHBondContact O-CB 3.29Å; G638-S641 PolarHBondContact O-N 3.2Å; G638-Y642 WeakPolarHBondContact O-CB 3.43Å; G638-Y642 PolarHBondContact O-N 3.3Å; G638-G774 WeakPolarHBondContact O-CA 3.48Å
639	S	88.7	Confident	92.3	Very high	10 Å²	10	19.2 Å²	19.2	7%	0.07	10%	0.095	C	C	.	.	H	α-helix	trans	-57.7	-49.6	178.2	-27.5	0	0	0	0	110.8	S637 Y642 I643 Y665 D673	S637-S639 PolarHBondContact OG-N 3.06Å; S639-Y642 PolarHBondContact O-N 3.46Å; S639-I643 WeakPolarHBondContact O-CG1 3.49Å; S639-I643 PolarHBondContact O-N 2.83Å; S639-Y665 PolarHBondContact OG-O 2.92Å; S639-D673 WeakPolarHBondContact CB-OD1 3.21Å; S639-D673 PolarHBondContact OG-OD1 3.04Å
640	L	92.2	Very high	92.1	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-71.6	-36.8	179.6	-61.8	175.4	0	0	0	112.1	S637 G638 Y642 I643 F644 L674 V679 V704 Y745	S637-L640 PolarHBondContact OG-N 3.48Å; G638-L640 PolarHBondContact O-N 3.2Å; L640-Y642 VanDerWaalsContact C-N 3.26Å; L640-Y642 PolarHBondContact O-N 2.9Å; L640-I643 PolarHBondContact O-N 3.27Å; L640-F644 HydrophobicContact CB-CD2 4.44Å; L640-F644 HydrophobicContact CD2-CE2 4.48Å; L640-F644 WeakPolarHBondContact O-CB 2.93Å; L640-F644 VanDerWaalsContact O-CD2 3.31Å; L640-F644 WeakPolarHBondContact O-CD2 3.48Å; L640-F644 PolarHBondContact O-N 3.35Å; L640-L674 HydrophobicContact CD2-CD2 3.85Å; L640-V679 HydrophobicContact CD1-CG2 4.02Å; L640-V704 HydrophobicContact CD2-CG2 4.02Å; L640-Y745 HydrophobicContact CD1-CD1 3.24Å; L640-Y745 HydrophobicContact CD1-CE1 3.62Å; L640-Y745 HydrophobicContact CD1-CG 3.91Å; L640-Y745 HydrophobicContact CG-CD1 4.43Å
641	S	91.9	Very high	92.1	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-56.5	-42	171	-178	0	0	0	0	111.7	S637 G638 G645 E775	S637-S641 WeakPolarHBondContact O-CB 3.45Å; S637-S641 PolarHBondContact O-N 3.25Å; G638-S641 WeakPolarHBondContact O-CB 3.29Å; G638-S641 PolarHBondContact O-N 3.2Å; S641-G645 WeakPolarHBondContact O-CA 3.38Å; S641-G645 PolarHBondContact O-N 3.19Å; S641-E775 VanDerWaalsContact CB-O 3.29Å; S641-E775 WeakPolarHBondContact CB-O 3.46Å; S641-E775 PolarHBondContact OG-N 3.5Å; S641-E775 PolarHBondContact OG-O 3.17Å
642	Y	91.2	Very high	92.2	Very high	15 Å²	15	18 Å²	18	6%	0.059	11%	0.108	C	C	.	.	H	α-helix	trans	-67.1	-50.6	177.1	-170.1	-91.5	0	0	0	111.7	G638 S639 L640 G645 K646 L659 A660 M663 Y665	G638-Y642 WeakPolarHBondContact O-CB 3.43Å; G638-Y642 PolarHBondContact O-N 3.3Å; S639-Y642 PolarHBondContact O-N 3.46Å; L640-Y642 VanDerWaalsContact C-N 3.26Å; L640-Y642 PolarHBondContact O-N 2.9Å; Y642-G645 PolarHBondContact O-N 2.64Å; Y642-K646 HydrophobicContact CD1-CG 4.2Å; Y642-K646 HydrophobicContact CE1-CG 3.84Å; Y642-K646 WeakPolarHBondContact O-CG 3.45Å; Y642-K646 PolarHBondContact O-N 3.21Å; Y642-K646 WeakPolarHBondContact OH-CE 3.35Å; Y642-L659 HydrophobicContact CE1-CB 4.47Å; Y642-L659 HydrophobicContact CE1-CD2 4.12Å; Y642-L659 HydrophobicContact CE1-CG 4.05Å; Y642-L659 VanDerWaalsContact OH-CD2 3.25Å; Y642-L659 WeakPolarHBondContact OH-CD2 3.45Å; Y642-A660 HydrophobicContact CD1-CB 3.76Å; Y642-A660 HydrophobicContact CE1-CB 4.31Å; Y642-M663 HydrophobicContact CE1-SD 4.39Å; Y642-M663 HydrophobicContact CE2-SD 4.13Å; Y642-M663 PolarHBondContact OH-SD 2.66Å; Y642-Y665 HydrophobicContact CD1-CD2 4.24Å; Y642-Y665 AromaticContact CD2-CD2 3.92Å; Y642-Y665 HydrophobicContact CD2-CD2 3.92Å; Y642-Y665 AromaticContact CD2-CE2 3.61Å; Y642-Y665 HydrophobicContact CD2-CE2 3.61Å; Y642-Y665 HydrophobicContact CE2-CD2 4.25Å; Y642-Y665 AromaticContact CE2-CE2 3.72Å; Y642-Y665 HydrophobicContact CE2-CE2 3.72Å; Y642-Y665 AromaticContact CG-CD2 3.93Å; Y642-Y665 HydrophobicContact CG-CD2 3.93Å; Y642-Y665 HydrophobicContact CG-CE2 4.12Å
643	I	93.5	Very high	92.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60	-53.3	-178.9	-66.8	166.2	0	0	0	110.9	S639 L640 G645 K646 L647 F653 A656 T657 A660 L674	S639-I643 WeakPolarHBondContact O-CG1 3.49Å; S639-I643 PolarHBondContact O-N 2.83Å; L640-I643 PolarHBondContact O-N 3.27Å; I643-G645 VanDerWaalsContact C-N 3.28Å; I643-G645 PolarHBondContact O-N 3.1Å; I643-K646 PolarHBondContact O-N 3.23Å; I643-L647 WeakPolarHBondContact O-CG 3.44Å; I643-L647 PolarHBondContact O-N 3.02Å; I643-F653 HydrophobicContact CG2-CD2 3.94Å; I643-F653 HydrophobicContact CG2-CE2 3.87Å; I643-A656 HydrophobicContact CG2-CB 4.1Å; I643-T657 HydrophobicContact CD1-CG2 4.26Å; I643-A660 HydrophobicContact CD1-CB 4.22Å; I643-A660 HydrophobicContact CG1-CB 3.78Å; I643-L674 HydrophobicContact CD1-CD2 4.13Å
644	F	94	Very high	92	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-67.4	-29.5	179.8	-79.9	-90.8	0	0	0	112.7	L640 K646 L647 D648 V704 F729 L743 Y745 I759	L640-F644 HydrophobicContact CB-CD2 4.44Å; L640-F644 HydrophobicContact CD2-CE2 4.48Å; L640-F644 WeakPolarHBondContact O-CB 2.93Å; L640-F644 VanDerWaalsContact O-CD2 3.31Å; L640-F644 WeakPolarHBondContact O-CD2 3.48Å; L640-F644 PolarHBondContact O-N 3.35Å; F644-K646 VanDerWaalsContact C-N 3.34Å; F644-L647 HydrophobicContact CD1-CD1 4.04Å; F644-L647 HydrophobicContact CE1-CD1 4.28Å; F644-L647 HydrophobicContact CG-CD1 4.45Å; F644-D648 PolarHBondContact O-N 2.97Å; F644-V704 HydrophobicContact CE2-CG1 4.23Å; F644-V704 HydrophobicContact CE2-CG2 4.31Å; F644-V704 HydrophobicContact CZ-CG1 4.14Å; F644-F729 HydrophobicContact CE1-CE1 4.39Å; F644-F729 HydrophobicContact CZ-CE1 4.29Å; F644-L743 HydrophobicContact CD1-CB 3.78Å; F644-L743 HydrophobicContact CE1-CB 4.07Å; F644-Y745 HydrophobicContact CE2-CD2 4.3Å; F644-Y745 HydrophobicContact CE2-CG 4.31Å; F644-Y745 HydrophobicContact CZ-CD2 4.31Å; F644-I759 HydrophobicContact CE1-CD1 4.42Å; F644-I759 HydrophobicContact CE1-CG1 4.15Å; F644-I759 HydrophobicContact CE1-CG2 3.85Å; F644-I759 HydrophobicContact CZ-CD1 4.06Å; F644-I759 HydrophobicContact CZ-CG1 3.82Å; F644-I759 HydrophobicContact CZ-CG2 4.38Å
645	G	92.5	Very high	92	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.1	-34.6	170.4	0	0	0	0	0	113.2	S641 Y642 I643 D648 E649	S641-G645 WeakPolarHBondContact O-CA 3.38Å; S641-G645 PolarHBondContact O-N 3.19Å; Y642-G645 PolarHBondContact O-N 2.64Å; I643-G645 VanDerWaalsContact C-N 3.28Å; I643-G645 PolarHBondContact O-N 3.1Å; G645-D648 WeakPolarHBondContact O-CB 3.34Å; G645-E649 WeakPolarHBondContact O-CG 3.37Å; G645-E649 PolarHBondContact O-N 3.44Å
646	K	93.5	Very high	91.9	Very high	33 Å²	33	23.7 Å²	23.7	14%	0.143	14%	0.135	C	C	.	.	H	α-helix	trans	-78.1	-33.6	176.3	-69	-69.3	162	-159.7	0	113.2	Y642 I643 F644 D648 E649 G650 M651 A656 L659	Y642-K646 HydrophobicContact CD1-CG 4.2Å; Y642-K646 HydrophobicContact CE1-CG 3.84Å; Y642-K646 WeakPolarHBondContact O-CG 3.45Å; Y642-K646 PolarHBondContact O-N 3.21Å; Y642-K646 WeakPolarHBondContact OH-CE 3.35Å; I643-K646 PolarHBondContact O-N 3.23Å; F644-K646 VanDerWaalsContact C-N 3.34Å; K646-D648 VanDerWaalsContact C-N 3.29Å; K646-D648 PolarHBondContact O-N 2.91Å; K646-E649 IonicContact NZ-OE2 2.81Å; K646-E649 PolarHBondContact NZ-OE2 2.86Å; K646-E649 CarbonylContact O-C 3.51Å; K646-E649 WeakPolarHBondContact O-CA 3.42Å; K646-E649 PolarHBondContact O-N 2.79Å; K646-E649 VanDerWaalsContact O-N 3.12Å; K646-G650 PolarHBondContact O-N 3.41Å; K646-M651 HydrophobicContact CB-CB 4.12Å; K646-M651 HydrophobicContact CB-SD 3.94Å; K646-M651 HydrophobicContact CD-CE 4.45Å; K646-M651 HydrophobicContact CD-SD 4.3Å; K646-M651 HydrophobicContact CG-SD 4.26Å; K646-M651 WeakPolarHBondContact O-CB 3.28Å; K646-M651 PolarHBondContact O-N 3.45Å; K646-M651 VanDerWaalsContact O-N 3.1Å; K646-A656 HydrophobicContact CB-CB 3.76Å; K646-L659 HydrophobicContact CD-CD2 4.47Å
647	L	92.8	Very high	91.9	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-58.3	-42.5	170.8	-71.8	-179	0	0	0	111.9	I643 F644 E649 G650 M651 F653 F729 V733	I643-L647 WeakPolarHBondContact O-CG 3.44Å; I643-L647 PolarHBondContact O-N 3.02Å; F644-L647 HydrophobicContact CD1-CD1 4.04Å; F644-L647 HydrophobicContact CE1-CD1 4.28Å; F644-L647 HydrophobicContact CG-CD1 4.45Å; L647-E649 VanDerWaalsContact C-N 3.27Å; L647-E649 PolarHBondContact O-N 3.06Å; L647-G650 PolarHBondContact O-N 3.3Å; L647-M651 WeakPolarHBondContact CD2-O 3.34Å; L647-F653 HydrophobicContact CD1-CD2 4.23Å; L647-F653 HydrophobicContact CD2-CB 4.02Å; L647-F729 HydrophobicContact CD1-CD1 4.01Å; L647-V733 HydrophobicContact CB-CG2 4.11Å
648	D	88.5	Confident	92.1	Very high	50 Å²	50	25.9 Å²	25.9	27%	0.267	15%	0.149	S	C	.	.	H	α-helix	trans	-59.1	-39.7	174.6	-174.4	11.4	0	0	0	111.7	F644 G645 K646 G650 R737 V742 R744	F644-D648 PolarHBondContact O-N 2.97Å; G645-D648 WeakPolarHBondContact O-CB 3.34Å; K646-D648 VanDerWaalsContact C-N 3.29Å; K646-D648 PolarHBondContact O-N 2.91Å; D648-G650 PolarHBondContact O-N 3.39Å; D648-R737 PolarHBondContact O-NH2 3.46Å; D648-V742 WeakPolarHBondContact OD1-CG1 3.34Å; D648-R744 IonicContact OD2-CZ 3.53Å; D648-R744 IonicContact OD2-NH1 2.82Å; D648-R744 IonicContact OD2-NH2 3.33Å; D648-R744 PolarHBondContact OD2-NH2 3.16Å
649	E	90.2	Very high	92.2	Very high	93 Å²	93	27.9 Å²	27.9	44%	0.435	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-0.5	175.7	-66.5	176.7	175.4	0	0	114.1	G645 K646 L647 K772	G645-E649 WeakPolarHBondContact O-CG 3.37Å; G645-E649 PolarHBondContact O-N 3.44Å; K646-E649 IonicContact NZ-OE2 2.81Å; K646-E649 PolarHBondContact NZ-OE2 2.86Å; K646-E649 CarbonylContact O-C 3.51Å; K646-E649 WeakPolarHBondContact O-CA 3.42Å; K646-E649 PolarHBondContact O-N 2.79Å; K646-E649 VanDerWaalsContact O-N 3.12Å; L647-E649 VanDerWaalsContact C-N 3.27Å; L647-E649 PolarHBondContact O-N 3.06Å; E649-K772 IonicContact OE1-NZ 3.58Å; E649-K772 PolarHBondContact OE1-NZ 2.91Å
650	G	89.6	Confident	92.2	Very high	56 Å²	56	27.4 Å²	27.4	58%	0.577	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	93	8.3	173.8	0	0	0	0	0	115.6	K646 L647 D648	K646-G650 PolarHBondContact O-N 3.41Å; L647-G650 PolarHBondContact O-N 3.3Å; D648-G650 PolarHBondContact O-N 3.39Å
651	M	93.2	Very high	92	Very high	59 Å²	59	32 Å²	32	29%	0.291	17%	0.172	S	C	.	.			trans	-73.5	150.2	173.1	-170.9	169.6	-81.6	0	0	110.7	K646 L647 E655 A656 L659	K646-M651 HydrophobicContact CB-CB 4.12Å; K646-M651 HydrophobicContact CB-SD 3.94Å; K646-M651 HydrophobicContact CD-CE 4.45Å; K646-M651 HydrophobicContact CD-SD 4.3Å; K646-M651 HydrophobicContact CG-SD 4.26Å; K646-M651 WeakPolarHBondContact O-CB 3.28Å; K646-M651 PolarHBondContact O-N 3.45Å; K646-M651 VanDerWaalsContact O-N 3.1Å; L647-M651 WeakPolarHBondContact CD2-O 3.34Å; M651-E655 HydrophobicContact CG-CB 3.44Å; M651-E655 VanDerWaalsContact CG-CB 3.44Å; M651-E655 HydrophobicContact SD-CB 4.04Å; M651-A656 HydrophobicContact CG-CB 4.13Å; M651-A656 VanDerWaalsContact SD-CA 3.52Å; M651-A656 HydrophobicContact SD-CB 3.98Å; M651-L659 HydrophobicContact CE-CD2 3.88Å; M651-L659 HydrophobicContact SD-CD2 4.02Å
652	S	94.3	Very high	91.8	Very high	30 Å²	30	39 Å²	39	21%	0.21	20%	0.204	C	C	.	.			trans	-70.3	162.8	173.5	88.2	0	0	0	0	111.6	S654 E655 A656 D726	S652-S654 VanDerWaalsContact C-N 3.35Å; S652-S654 PolarHBondContact OG-OG 2.99Å; S652-S654 VanDerWaalsContact OG-OG 3.04Å; S652-E655 PolarHBondContact N-OE2 3.41Å; S652-E655 VanDerWaalsContact N-OE2 3.17Å; S652-E655 PolarHBondContact O-N 3.42Å; S652-E655 WeakPolarHBondContact OG-CB 3.27Å; S652-E655 VanDerWaalsContact OG-CG 3.25Å; S652-E655 WeakPolarHBondContact OG-CG 3.34Å; S652-E655 PolarHBondContact OG-N 3.36Å; S652-E655 VanDerWaalsContact OG-N 3.12Å; S652-A656 WeakPolarHBondContact O-CB 3.36Å; S652-A656 PolarHBondContact O-N 3.43Å; S652-D726 VanDerWaalsContact CB-CG 3.47Å; S652-D726 WeakPolarHBondContact CB-OD1 3.45Å; S652-D726 PolarHBondContact OG-OD1 3.22Å; S652-D726 PolarHBondContact OG-OD2 3.36Å
653	F	93.4	Very high	91.4	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-40.3	179.8	178.1	-111.1	0	0	0	111.6	I643 L647 T657 L674 V704 L705 L722 L725 D726 F729	I643-F653 HydrophobicContact CG2-CD2 3.94Å; I643-F653 HydrophobicContact CG2-CE2 3.87Å; L647-F653 HydrophobicContact CD1-CD2 4.23Å; L647-F653 HydrophobicContact CD2-CB 4.02Å; F653-T657 WeakPolarHBondContact O-CB 3.32Å; F653-T657 PolarHBondContact O-N 3.2Å; F653-T657 PolarHBondContact O-OG1 3.08Å; F653-L674 HydrophobicContact CE2-CD2 4.21Å; F653-L674 HydrophobicContact CZ-CD1 4.35Å; F653-L674 HydrophobicContact CZ-CD2 3.82Å; F653-V704 HydrophobicContact CE2-CG1 3.77Å; F653-V704 HydrophobicContact CZ-CG1 3.7Å; F653-L705 HydrophobicContact CE1-CD2 4.08Å; F653-L705 HydrophobicContact CZ-CD2 4.31Å; F653-L722 HydrophobicContact CD1-CD2 4.47Å; F653-L722 HydrophobicContact CE1-CD2 3.91Å; F653-L725 HydrophobicContact CD1-CB 4.09Å; F653-L725 HydrophobicContact CD1-CD1 4.32Å; F653-L725 HydrophobicContact CE1-CD1 3.99Å; F653-D726 PolarHBondContact N-OD1 3.33Å; F653-F729 HydrophobicContact CB-CB 3.99Å; F653-F729 HydrophobicContact CB-CD2 3.83Å; F653-F729 HydrophobicContact CB-CG 3.98Å; F653-F729 AromaticContact CD1-CD2 3.84Å; F653-F729 HydrophobicContact CD1-CD2 3.84Å; F653-F729 AromaticContact CD1-CE2 3.83Å; F653-F729 HydrophobicContact CD1-CE2 3.83Å; F653-F729 HydrophobicContact CD2-CD1 4.34Å; F653-F729 HydrophobicContact CD2-CD2 4Å; F653-F729 HydrophobicContact CD2-CE1 4.33Å; F653-F729 HydrophobicContact CD2-CE2 4Å; F653-F729 HydrophobicContact CD2-CG 4.18Å; F653-F729 HydrophobicContact CD2-CZ 4.17Å; F653-F729 HydrophobicContact CE1-CD2 4.38Å; F653-F729 AromaticContact CE1-CE2 3.89Å; F653-F729 HydrophobicContact CE1-CE2 3.89Å; F653-F729 HydrophobicContact CE2-CE1 4.4Å; F653-F729 HydrophobicContact CE2-CE2 4.08Å; F653-F729 HydrophobicContact CE2-CZ 4Å; F653-F729 AromaticContact CG-CD2 3.61Å; F653-F729 HydrophobicContact CG-CD2 3.61Å; F653-F729 AromaticContact CG-CE2 3.87Å; F653-F729 HydrophobicContact CG-CE2 3.87Å; F653-F729 HydrophobicContact CG-CG 4.05Å; F653-F729 HydrophobicContact CG-CZ 4.5Å; F653-F729 HydrophobicContact CZ-CE2 4.02Å; F653-F729 HydrophobicContact CZ-CZ 4.18Å
654	S	93.1	Very high	90.8	Very high	17 Å²	17	46 Å²	46	12%	0.119	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-44.7	176.6	69.4	0	0	0	0	112.1	S652 T658 D726	S652-S654 VanDerWaalsContact C-N 3.35Å; S652-S654 PolarHBondContact OG-OG 2.99Å; S652-S654 VanDerWaalsContact OG-OG 3.04Å; S654-T658 WeakPolarHBondContact O-CB 3.49Å; S654-T658 PolarHBondContact O-N 2.9Å; S654-T658 PolarHBondContact O-OG1 2.86Å; S654-D726 WeakPolarHBondContact CB-OD1 3.45Å; S654-D726 WeakPolarHBondContact CB-OD2 3.44Å; S654-D726 PolarHBondContact N-OD1 3.04Å; S654-D726 PolarHBondContact OG-OD1 2.92Å; S654-D726 PolarHBondContact OG-OD2 3Å
655	E	93.8	Very high	90.2	Very high	112 Å²	112	49.8 Å²	49.8	52%	0.523	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-46.8	175.6	-73.4	174.4	157.8	0	0	111.2	M651 S652 T657 T658 L659	M651-E655 HydrophobicContact CG-CB 3.44Å; M651-E655 VanDerWaalsContact CG-CB 3.44Å; M651-E655 HydrophobicContact SD-CB 4.04Å; S652-E655 PolarHBondContact N-OE2 3.41Å; S652-E655 VanDerWaalsContact N-OE2 3.17Å; S652-E655 PolarHBondContact O-N 3.42Å; S652-E655 WeakPolarHBondContact OG-CB 3.27Å; S652-E655 VanDerWaalsContact OG-CG 3.25Å; S652-E655 WeakPolarHBondContact OG-CG 3.34Å; S652-E655 PolarHBondContact OG-N 3.36Å; S652-E655 VanDerWaalsContact OG-N 3.12Å; E655-T657 VanDerWaalsContact C-N 3.35Å; E655-T657 PolarHBondContact O-N 3.15Å; E655-T658 PolarHBondContact O-N 3.45Å; E655-L659 WeakPolarHBondContact O-CB 3.4Å; E655-L659 PolarHBondContact O-N 3.19Å
656	A	93.3	Very high	89.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.3	-41.8	179.9	0	0	0	0	0	112.1	I643 K646 M651 S652 A660	I643-A656 HydrophobicContact CG2-CB 4.1Å; K646-A656 HydrophobicContact CB-CB 3.76Å; M651-A656 HydrophobicContact CG-CB 4.13Å; M651-A656 VanDerWaalsContact SD-CA 3.52Å; M651-A656 HydrophobicContact SD-CB 3.98Å; S652-A656 WeakPolarHBondContact O-CB 3.36Å; S652-A656 PolarHBondContact O-N 3.43Å; A656-A660 WeakPolarHBondContact O-CB 3.27Å; A656-A660 PolarHBondContact O-N 3.22Å
657	T	93	Very high	89.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.8	-40.8	176.9	-54.8	0	0	0	0	111.5	I643 F653 E655 A660 R661 P670 L674 M719 L722	I643-T657 HydrophobicContact CD1-CG2 4.26Å; F653-T657 WeakPolarHBondContact O-CB 3.32Å; F653-T657 PolarHBondContact O-N 3.2Å; F653-T657 PolarHBondContact O-OG1 3.08Å; E655-T657 VanDerWaalsContact C-N 3.35Å; E655-T657 PolarHBondContact O-N 3.15Å; T657-A660 PolarHBondContact O-N 2.63Å; T657-R661 WeakPolarHBondContact O-CB 3.42Å; T657-R661 PolarHBondContact O-N 2.91Å; T657-P670 HydrophobicContact CG2-CB 4.17Å; T657-L674 HydrophobicContact CG2-CD1 4.16Å; T657-M719 HydrophobicContact CG2-CE 4.23Å; T657-M719 HydrophobicContact CG2-SD 4.28Å; T657-L722 HydrophobicContact CG2-CD1 3.68Å
658	T	92.4	Very high	88.6	Confident	49 Å²	49	59.3 Å²	59.3	30%	0.301	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-47.5	175.7	-58.3	0	0	0	0	110.7	S654 E655 A660 R661 E662 M719	S654-T658 WeakPolarHBondContact O-CB 3.49Å; S654-T658 PolarHBondContact O-N 2.9Å; S654-T658 PolarHBondContact O-OG1 2.86Å; E655-T658 PolarHBondContact O-N 3.45Å; T658-A660 PolarHBondContact O-N 3.33Å; T658-R661 WeakPolarHBondContact O-CB 3.36Å; T658-R661 PolarHBondContact O-N 3.37Å; T658-E662 HydrophobicContact CG2-CG 4.47Å; T658-E662 WeakPolarHBondContact O-CG 3.21Å; T658-E662 PolarHBondContact O-N 3.36Å; T658-M719 HydrophobicContact CG2-CE 4.45Å; T658-M719 VanDerWaalsContact OG1-CE 3.23Å; T658-M719 WeakPolarHBondContact OG1-CE 3.48Å
659	L	91.5	Very high	88.7	Confident	47 Å²	47	58.5 Å²	58.5	25%	0.246	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-41	177.7	-175.5	62.4	0	0	0	111.9	Y642 K646 M651 E655 R661 E662 M663	Y642-L659 HydrophobicContact CE1-CB 4.47Å; Y642-L659 HydrophobicContact CE1-CD2 4.12Å; Y642-L659 HydrophobicContact CE1-CG 4.05Å; Y642-L659 VanDerWaalsContact OH-CD2 3.25Å; Y642-L659 WeakPolarHBondContact OH-CD2 3.45Å; K646-L659 HydrophobicContact CD-CD2 4.47Å; M651-L659 HydrophobicContact CE-CD2 3.88Å; M651-L659 HydrophobicContact SD-CD2 4.02Å; E655-L659 WeakPolarHBondContact O-CB 3.4Å; E655-L659 PolarHBondContact O-N 3.19Å; L659-R661 VanDerWaalsContact C-N 3.29Å; L659-R661 PolarHBondContact O-N 2.95Å; L659-E662 PolarHBondContact O-N 3.33Å; L659-M663 HydrophobicContact CD1-CG 4.27Å; L659-M663 HydrophobicContact CD1-SD 4.35Å; L659-M663 HydrophobicContact CG-SD 4.34Å; L659-M663 WeakPolarHBondContact O-CB 3.36Å; L659-M663 VanDerWaalsContact O-CG 3.31Å; L659-M663 WeakPolarHBondContact O-CG 3.09Å; L659-M663 PolarHBondContact O-N 3.28Å
660	A	88.6	Confident	88.6	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-41.6	175.2	0	0	0	0	0	111.7	Y642 I643 A656 T657 T658 G664 Y665 T666	Y642-A660 HydrophobicContact CD1-CB 3.76Å; Y642-A660 HydrophobicContact CE1-CB 4.31Å; I643-A660 HydrophobicContact CD1-CB 4.22Å; I643-A660 HydrophobicContact CG1-CB 3.78Å; A656-A660 WeakPolarHBondContact O-CB 3.27Å; A656-A660 PolarHBondContact O-N 3.22Å; T657-A660 PolarHBondContact O-N 2.63Å; T658-A660 PolarHBondContact O-N 3.33Å; A660-G664 PolarHBondContact O-N 3.09Å; A660-Y665 WeakPolarHBondContact O-CB 3.32Å; A660-Y665 PolarHBondContact O-N 3.36Å; A660-T666 HydrophobicContact CB-CG2 3.87Å
661	R	87.5	Confident	88.6	Confident	100 Å²	100	53.9 Å²	53.9	38%	0.377	28%	0.282	S	S	.	.	H	α-helix	trans	-67.6	-44.8	176.6	-175.7	-175	178.6	-156.3	-2.1	112.3	T657 T658 L659 M663 G664 T666 P670	T657-R661 WeakPolarHBondContact O-CB 3.42Å; T657-R661 PolarHBondContact O-N 2.91Å; T658-R661 WeakPolarHBondContact O-CB 3.36Å; T658-R661 PolarHBondContact O-N 3.37Å; L659-R661 VanDerWaalsContact C-N 3.29Å; L659-R661 PolarHBondContact O-N 2.95Å; R661-M663 VanDerWaalsContact C-N 3.3Å; R661-M663 PolarHBondContact O-N 3.28Å; R661-G664 PolarHBondContact O-N 2.91Å; R661-T666 WeakPolarHBondContact CA-OG1 3.4Å; R661-P670 HydrophobicContact CB-CG 4.41Å; R661-P670 HydrophobicContact CG-CG 4.26Å
662	E	87.8	Confident	88.4	Confident	149 Å²	149	56 Å²	56	70%	0.696	29%	0.294	S	S	*	.	H	α-helix	trans	-62.2	-37.4	177.7	-74.5	177.9	177.2	0	0	112.4	T658 L659 G664	T658-E662 HydrophobicContact CG2-CG 4.47Å; T658-E662 WeakPolarHBondContact O-CG 3.21Å; T658-E662 PolarHBondContact O-N 3.36Å; L659-E662 PolarHBondContact O-N 3.33Å; E662-G664 PolarHBondContact O-N 3.01Å
663	M	83.4	Confident	88.1	Confident	103 Å²	103	55.1 Å²	55.1	51%	0.507	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-3.3	174.8	-66.7	-168.6	79.5	0	0	113.5	Y642 L659 R661 Y665	Y642-M663 HydrophobicContact CE1-SD 4.39Å; Y642-M663 HydrophobicContact CE2-SD 4.13Å; Y642-M663 PolarHBondContact OH-SD 2.66Å; L659-M663 HydrophobicContact CD1-CG 4.27Å; L659-M663 HydrophobicContact CD1-SD 4.35Å; L659-M663 HydrophobicContact CG-SD 4.34Å; L659-M663 WeakPolarHBondContact O-CB 3.36Å; L659-M663 VanDerWaalsContact O-CG 3.31Å; L659-M663 WeakPolarHBondContact O-CG 3.09Å; L659-M663 PolarHBondContact O-N 3.28Å; R661-M663 VanDerWaalsContact C-N 3.3Å; R661-M663 PolarHBondContact O-N 3.28Å; M663-Y665 VanDerWaalsContact C-N 3.31Å; M663-Y665 HydrophobicContact CB-CD2 3.62Å; M663-Y665 HydrophobicContact CB-CE2 3.79Å; M663-Y665 HydrophobicContact CE-CE2 4.07Å; M663-Y665 PolarHBondContact O-N 3.28Å; M663-Y665 HydrophobicContact SD-CD2 4.49Å; M663-Y665 HydrophobicContact SD-CE2 3.98Å
664	G	81.2	Confident	88	Confident	59 Å²	59	55.1 Å²	55.1	61%	0.608	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	23	-179.7	0	0	0	0	0	114.1	A660 R661 E662	A660-G664 PolarHBondContact O-N 3.09Å; R661-G664 PolarHBondContact O-N 2.91Å; E662-G664 PolarHBondContact O-N 3.01Å
665	Y	81.3	Confident	87.9	Confident	82 Å²	82	56.3 Å²	56.3	32%	0.322	30%	0.295	S	S	.	.			trans	-75	-34.1	173.2	-75.9	-66.2	0	0	0	112.2	S639 Y642 A660 M663	S639-Y665 PolarHBondContact OG-O 2.92Å; Y642-Y665 HydrophobicContact CD1-CD2 4.24Å; Y642-Y665 AromaticContact CD2-CD2 3.92Å; Y642-Y665 HydrophobicContact CD2-CD2 3.92Å; Y642-Y665 AromaticContact CD2-CE2 3.61Å; Y642-Y665 HydrophobicContact CD2-CE2 3.61Å; Y642-Y665 HydrophobicContact CE2-CD2 4.25Å; Y642-Y665 AromaticContact CE2-CE2 3.72Å; Y642-Y665 HydrophobicContact CE2-CE2 3.72Å; Y642-Y665 AromaticContact CG-CD2 3.93Å; Y642-Y665 HydrophobicContact CG-CD2 3.93Å; Y642-Y665 HydrophobicContact CG-CE2 4.12Å; A660-Y665 WeakPolarHBondContact O-CB 3.32Å; A660-Y665 PolarHBondContact O-N 3.36Å; M663-Y665 VanDerWaalsContact C-N 3.31Å; M663-Y665 HydrophobicContact CB-CD2 3.62Å; M663-Y665 HydrophobicContact CB-CE2 3.79Å; M663-Y665 HydrophobicContact CE-CE2 4.07Å; M663-Y665 PolarHBondContact O-N 3.28Å; M663-Y665 HydrophobicContact SD-CD2 4.49Å; M663-Y665 HydrophobicContact SD-CE2 3.98Å
666	T	82.5	Confident	87.7	Confident	16 Å²	16	51 Å²	51	10%	0.098	27%	0.271	C	S	.	.	S	Bend	trans	-83.9	159	177.6	69.5	0	0	0	0	111.5	A660 R661 P670 D673	A660-T666 HydrophobicContact CB-CG2 3.87Å; R661-T666 WeakPolarHBondContact CA-OG1 3.4Å; T666-P670 HydrophobicContact CG2-CB 4.34Å; T666-D673 VanDerWaalsContact CA-OD2 3.24Å; T666-D673 WeakPolarHBondContact CA-OD2 3.16Å; T666-D673 WeakPolarHBondContact CB-OD2 3.31Å
667	E	81.6	Confident	87.6	Confident	114 Å²	114	53.9 Å²	53.9	53%	0.533	29%	0.285	S	S	.	.			trans	-59.2	163.6	160.5	-67.9	-66.5	170.8	0	0	110.7	D669 D672 D673	E667-D669 CarbonylContact O-C 3.6Å; E667-D669 PolarHBondContact O-N 2.52Å; E667-D672 HydrophobicContact CB-CB 4.47Å; E667-D673 PolarHBondContact N-OD2 3.33Å
668	P	81.4	Confident	87.4	Confident	108 Å²	108	55.2 Å²	55.2	70%	0.701	29%	0.292	S	S	*	.	S	Bend	trans	-53.3	-31.6	179.9	-28.5	35.7	0	0	0	113.9
669	D	89.2	Confident	87.5	Confident	33 Å²	33	52.9 Å²	52.9	18%	0.176	28%	0.278	C	S	.	.	S	Bend	trans	-109.7	106.8	169	-166.1	-24.3	0	0	0	110.1	E667 R671 D672 V715	E667-D669 CarbonylContact O-C 3.6Å; E667-D669 PolarHBondContact O-N 2.52Å; D669-R671 VanDerWaalsContact CG-NE 3.29Å; D669-R671 PolarHBondContact O-N 3.33Å; D669-R671 VanDerWaalsContact OD1-CB 3.3Å; D669-R671 WeakPolarHBondContact OD1-CB 3.47Å; D669-R671 WeakPolarHBondContact OD1-CG 3.3Å; D669-R671 IonicContact OD1-CZ 3.68Å; D669-R671 PolarHBondContact OD1-N 2.82Å; D669-R671 VanDerWaalsContact OD1-N 3.1Å; D669-R671 IonicContact OD1-NE 2.7Å; D669-R671 PolarHBondContact OD1-NE 2.93Å; D669-R671 IonicContact OD1-NH2 3.74Å; D669-R671 IonicContact OD2-CZ 3.21Å; D669-R671 IonicContact OD2-NE 2.72Å; D669-R671 PolarHBondContact OD2-NE 2.68Å; D669-R671 IonicContact OD2-NH2 2.66Å; D669-R671 PolarHBondContact OD2-NH2 2.81Å; D669-D672 PolarHBondContact O-N 2.61Å; D669-D672 VanDerWaalsContact O-N 3.11Å; D669-V715 HydrophobicContact CB-CG2 4.16Å
670	P	88.5	Confident	87.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-16.9	-178.7	-25.3	35.2	0	0	0	114.4	T657 R661 T666 D672 D673 L674 F718 M719	T657-P670 HydrophobicContact CG2-CB 4.17Å; R661-P670 HydrophobicContact CB-CG 4.41Å; R661-P670 HydrophobicContact CG-CG 4.26Å; T666-P670 HydrophobicContact CG2-CB 4.34Å; P670-D672 PolarHBondContact O-N 3.05Å; P670-D673 PolarHBondContact O-N 2.87Å; P670-L674 HydrophobicContact CB-CD1 4.4Å; P670-L674 WeakPolarHBondContact O-CB 3.39Å; P670-L674 VanDerWaalsContact O-CG 3.25Å; P670-L674 WeakPolarHBondContact O-CG 3.48Å; P670-L674 PolarHBondContact O-N 2.83Å; P670-F718 HydrophobicContact CB-CE1 4.3Å; P670-M719 HydrophobicContact CB-SD 4.47Å; P670-M719 HydrophobicContact CG-SD 3.88Å
671	R	90.6	Very high	87.9	Confident	53 Å²	53	55 Å²	55	20%	0.2	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-33	175.5	-68.7	173.7	-78.9	-166.1	7.6	112	D669 D673 L674 S675 A711 G713 F718	D669-R671 VanDerWaalsContact CG-NE 3.29Å; D669-R671 PolarHBondContact O-N 3.33Å; D669-R671 VanDerWaalsContact OD1-CB 3.3Å; D669-R671 WeakPolarHBondContact OD1-CB 3.47Å; D669-R671 WeakPolarHBondContact OD1-CG 3.3Å; D669-R671 IonicContact OD1-CZ 3.68Å; D669-R671 PolarHBondContact OD1-N 2.82Å; D669-R671 VanDerWaalsContact OD1-N 3.1Å; D669-R671 IonicContact OD1-NE 2.7Å; D669-R671 PolarHBondContact OD1-NE 2.93Å; D669-R671 IonicContact OD1-NH2 3.74Å; D669-R671 IonicContact OD2-CZ 3.21Å; D669-R671 IonicContact OD2-NE 2.72Å; D669-R671 PolarHBondContact OD2-NE 2.68Å; D669-R671 IonicContact OD2-NH2 2.66Å; D669-R671 PolarHBondContact OD2-NH2 2.81Å; R671-D673 VanDerWaalsContact C-N 3.35Å; R671-D673 PolarHBondContact O-N 3.19Å; R671-L674 PolarHBondContact O-N 3.11Å; R671-S675 WeakPolarHBondContact O-CB 3.33Å; R671-S675 PolarHBondContact O-N 3.16Å; R671-A711 WeakPolarHBondContact CD-O 3.38Å; R671-A711 PolarHBondContact NH1-O 3.21Å; R671-G713 PolarHBondContact NH1-O 2.74Å; R671-G713 PolarHBondContact NH2-O 2.69Å; R671-F718 HydrophobicContact CG-CD1 3.95Å; R671-F718 HydrophobicContact CG-CD2 3.72Å; R671-F718 HydrophobicContact CG-CE1 3.7Å; R671-F718 HydrophobicContact CG-CE2 3.43Å; R671-F718 VanDerWaalsContact CG-CE2 3.43Å; R671-F718 HydrophobicContact CG-CG 3.97Å; R671-F718 HydrophobicContact CG-CZ 3.42Å; R671-F718 VanDerWaalsContact CG-CZ 3.42Å
672	D	87.2	Confident	88.2	Confident	102 Å²	102	51 Å²	51	55%	0.545	27%	0.268	S	S	.	.	H	α-helix	trans	-64.6	-40.8	179.8	-71.6	-25.1	0	0	0	111.3	E667 D669 P670 S675	E667-D672 HydrophobicContact CB-CB 4.47Å; D669-D672 PolarHBondContact O-N 2.61Å; D669-D672 VanDerWaalsContact O-N 3.11Å; P670-D672 PolarHBondContact O-N 3.05Å; D672-S675 PolarHBondContact O-OG 3.29Å
673	D	88	Confident	88.6	Confident	12 Å²	12	44 Å²	44	6%	0.064	24%	0.235	C	C	.	.	H	α-helix	trans	-69.7	-47.8	173.2	-69.9	-77.1	0	0	0	111.9	S639 T666 E667 P670 R671 S675 G676	S639-D673 WeakPolarHBondContact CB-OD1 3.21Å; S639-D673 PolarHBondContact OG-OD1 3.04Å; T666-D673 VanDerWaalsContact CA-OD2 3.24Å; T666-D673 WeakPolarHBondContact CA-OD2 3.16Å; T666-D673 WeakPolarHBondContact CB-OD2 3.31Å; E667-D673 PolarHBondContact N-OD2 3.33Å; P670-D673 PolarHBondContact O-N 2.87Å; R671-D673 VanDerWaalsContact C-N 3.35Å; R671-D673 PolarHBondContact O-N 3.19Å; D673-S675 PolarHBondContact O-N 3.21Å; D673-G676 PolarHBondContact O-N 3.45Å
674	L	92	Very high	89.2	Confident	1 Å²	1	39 Å²	39	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-69.2	-18.7	-174.8	-67.1	172.9	0	0	0	113.6	L640 I643 F653 T657 P670 R671 G676 V704 L705 F718	L640-L674 HydrophobicContact CD2-CD2 3.85Å; I643-L674 HydrophobicContact CD1-CD2 4.13Å; F653-L674 HydrophobicContact CE2-CD2 4.21Å; F653-L674 HydrophobicContact CZ-CD1 4.35Å; F653-L674 HydrophobicContact CZ-CD2 3.82Å; T657-L674 HydrophobicContact CG2-CD1 4.16Å; P670-L674 HydrophobicContact CB-CD1 4.4Å; P670-L674 WeakPolarHBondContact O-CB 3.39Å; P670-L674 VanDerWaalsContact O-CG 3.25Å; P670-L674 WeakPolarHBondContact O-CG 3.48Å; P670-L674 PolarHBondContact O-N 2.83Å; R671-L674 PolarHBondContact O-N 3.11Å; L674-G676 PolarHBondContact O-N 2.75Å; L674-V704 HydrophobicContact CB-CB 4.42Å; L674-V704 HydrophobicContact CD2-CB 4.16Å; L674-V704 HydrophobicContact CD2-CG1 3.97Å; L674-V704 HydrophobicContact CD2-CG2 4.44Å; L674-V704 WeakPolarHBondContact O-CB 3.35Å; L674-V704 WeakPolarHBondContact O-CG2 3.39Å; L674-V704 PolarHBondContact O-N 3.24Å; L674-V704 VanDerWaalsContact O-N 3.12Å; L674-L705 HydrophobicContact CB-CD1 4.34Å; L674-L705 HydrophobicContact CB-CG 4.23Å; L674-L705 HydrophobicContact CD1-CD2 4.24Å; L674-F718 HydrophobicContact CD1-CE1 4.27Å; L674-F718 HydrophobicContact CD1-CZ 3.84Å
675	S	90.6	Very high	89.8	Confident	43 Å²	43	36.2 Å²	36.2	30%	0.301	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22	172.7	73	0	0	0	0	113.4	R671 D672 D673 M677	R671-S675 WeakPolarHBondContact O-CB 3.33Å; R671-S675 PolarHBondContact O-N 3.16Å; D672-S675 PolarHBondContact O-OG 3.29Å; D673-S675 PolarHBondContact O-N 3.21Å; S675-M677 PolarHBondContact O-N 2.91Å; S675-M677 VanDerWaalsContact OG-CB 3.23Å; S675-M677 WeakPolarHBondContact OG-CB 3.19Å; S675-M677 PolarHBondContact OG-N 3.34Å; S675-M677 VanDerWaalsContact OG-N 3.11Å
676	G	90.4	Very high	90.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	75.8	-0.5	-172	0	0	0	0	0	114.4	D673 L674 D678 V679 A680 Y745	D673-G676 PolarHBondContact O-N 3.45Å; L674-G676 PolarHBondContact O-N 2.75Å; G676-D678 PolarHBondContact O-N 2.89Å; G676-V679 WeakPolarHBondContact O-CB 3.3Å; G676-V679 PolarHBondContact O-N 2.81Å; G676-V679 VanDerWaalsContact O-N 3.14Å; G676-A680 PolarHBondContact O-N 2.82Å; G676-Y745 WeakPolarHBondContact CA-OH 3.39Å
677	M	91.2	Very high	91	Very high	60 Å²	60	31.6 Å²	31.6	30%	0.296	16%	0.162	S	C	.	.	H	α-helix	trans	-64.6	-35.2	-173.6	-170.3	57	61.3	0	0	113.3	S675 A680 R681 L696 I701	S675-M677 PolarHBondContact O-N 2.91Å; S675-M677 VanDerWaalsContact OG-CB 3.23Å; S675-M677 WeakPolarHBondContact OG-CB 3.19Å; S675-M677 PolarHBondContact OG-N 3.34Å; S675-M677 VanDerWaalsContact OG-N 3.11Å; M677-A680 PolarHBondContact O-N 2.82Å; M677-R681 WeakPolarHBondContact O-CG 3.47Å; M677-R681 PolarHBondContact O-N 2.88Å; M677-L696 HydrophobicContact SD-CD1 4.28Å; M677-L696 HydrophobicContact SD-CD2 3.72Å; M677-L696 HydrophobicContact SD-CG 4.24Å; M677-I701 HydrophobicContact CE-CD1 3.96Å; M677-I701 HydrophobicContact SD-CD1 4.38Å
678	D	89.6	Confident	91.6	Very high	28 Å²	28	26.4 Å²	26.4	15%	0.15	14%	0.137	C	C	.	.	H	α-helix	trans	-66.8	-39	175	-174.7	62.3	0	0	0	112	K579 G676 R681 K682	K579-D678 WeakPolarHBondContact CE-OD1 3.13Å; K579-D678 IonicContact NZ-OD1 3.64Å; K579-D678 PolarHBondContact NZ-OD1 3.33Å; K579-D678 IonicContact NZ-OD2 2.8Å; G676-D678 PolarHBondContact O-N 2.89Å; D678-R681 PolarHBondContact O-N 3.08Å; D678-K682 WeakPolarHBondContact O-CG 3.29Å; D678-K682 PolarHBondContact O-N 2.88Å; D678-K682 WeakPolarHBondContact OD2-CE 3.42Å; D678-K682 IonicContact OD2-NZ 3.76Å; D678-K682 PolarHBondContact OD2-NZ 3.43Å
679	V	93.4	Very high	92.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-64.9	-44.2	174.8	178.4	0	0	0	0	110	L636 L640 G676 R681 K682 L683 Y745 V757	L636-V679 HydrophobicContact CB-CG1 4.19Å; L636-V679 HydrophobicContact CB-CG2 4.48Å; L636-V679 HydrophobicContact CD1-CG1 4.16Å; L640-V679 HydrophobicContact CD1-CG2 4.02Å; G676-V679 WeakPolarHBondContact O-CB 3.3Å; G676-V679 PolarHBondContact O-N 2.81Å; G676-V679 VanDerWaalsContact O-N 3.14Å; V679-R681 PolarHBondContact O-N 2.97Å; V679-K682 PolarHBondContact O-N 3.38Å; V679-L683 WeakPolarHBondContact O-CB 3.36Å; V679-L683 PolarHBondContact O-N 3.47Å; V679-Y745 HydrophobicContact CB-CE1 4.34Å; V679-Y745 HydrophobicContact CG2-CD1 4.13Å; V679-Y745 HydrophobicContact CG2-CE1 4.18Å; V679-V757 HydrophobicContact CB-CG1 3.99Å; V679-V757 HydrophobicContact CG1-CG1 3.68Å; V679-V757 HydrophobicContact CG1-CG2 4.07Å
680	A	94.7	Very high	92.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60	-43.8	176.1	0	0	0	0	0	112.2	G676 M677 K682 L683 L684 L696 I699 I701 V757	G676-A680 PolarHBondContact O-N 2.82Å; M677-A680 PolarHBondContact O-N 2.82Å; A680-K682 PolarHBondContact O-N 3.3Å; A680-L683 PolarHBondContact O-N 2.73Å; A680-L684 WeakPolarHBondContact O-CB 3.49Å; A680-L684 PolarHBondContact O-N 3.1Å; A680-L696 HydrophobicContact CB-CD1 3.99Å; A680-I699 HydrophobicContact CB-CG2 4.25Å; A680-I699 VanDerWaalsContact O-CD1 3.29Å; A680-I699 WeakPolarHBondContact O-CD1 3.28Å; A680-I701 HydrophobicContact CB-CD1 3.51Å; A680-I701 HydrophobicContact CB-CG1 3.92Å; A680-V757 HydrophobicContact CB-CG2 4.04Å
681	R	93.6	Very high	92.2	Very high	90 Å²	90	25.6 Å²	25.6	34%	0.34	14%	0.143	S	C	.	.	H	α-helix	trans	-59.8	-45.4	174.2	-78.7	-176.1	-164.4	135.7	3	112.5	T583 M677 D678 V679 L684 I685 L696	T583-R681 HydrophobicContact CG2-CB 3.81Å; T583-R681 HydrophobicContact CG2-CG 3.95Å; T583-R681 WeakPolarHBondContact CG2-O 3.16Å; M677-R681 WeakPolarHBondContact O-CG 3.47Å; M677-R681 PolarHBondContact O-N 2.88Å; D678-R681 PolarHBondContact O-N 3.08Å; V679-R681 PolarHBondContact O-N 2.97Å; R681-L684 PolarHBondContact O-N 3.18Å; R681-I685 VanDerWaalsContact O-CG1 3.27Å; R681-I685 WeakPolarHBondContact O-CG1 3.37Å; R681-I685 PolarHBondContact O-N 3.38Å; R681-I685 VanDerWaalsContact O-N 3.15Å; R681-L696 HydrophobicContact CG-CD1 4.35Å
682	K	94.2	Very high	92.2	Very high	18 Å²	18	26.4 Å²	26.4	8%	0.078	15%	0.147	C	C	.	.	H	α-helix	trans	-65.4	-39.8	177.7	-72.1	170.7	176.7	161.4	0	111.8	K579 V609 L636 D678 V679 A680 I685 L686	K579-K682 HydrophobicContact CD-CG 4.28Å; V609-K682 HydrophobicContact CG1-CB 4.48Å; V609-K682 HydrophobicContact CG2-CB 4.17Å; V609-K682 HydrophobicContact CG2-CG 4.35Å; L636-K682 HydrophobicContact CB-CB 4.24Å; L636-K682 HydrophobicContact CB-CD 3.89Å; L636-K682 HydrophobicContact CD1-CB 3.82Å; L636-K682 VanDerWaalsContact O-CD 3.31Å; L636-K682 WeakPolarHBondContact O-CD 3.2Å; L636-K682 PolarHBondContact O-NZ 3.3Å; D678-K682 WeakPolarHBondContact O-CG 3.29Å; D678-K682 PolarHBondContact O-N 2.88Å; D678-K682 WeakPolarHBondContact OD2-CE 3.42Å; D678-K682 IonicContact OD2-NZ 3.76Å; D678-K682 PolarHBondContact OD2-NZ 3.43Å; V679-K682 PolarHBondContact O-N 3.38Å; A680-K682 PolarHBondContact O-N 3.3Å; K682-I685 PolarHBondContact O-N 3.33Å; K682-L686 PolarHBondContact O-N 3.3Å
683	L	95.5	Very high	92.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-42.9	175.3	-173.7	65.5	0	0	0	111.6	F632 L636 V679 A680 I685 L686 A687 I699 I749 C755 V757	F632-L683 HydrophobicContact CD1-CD1 3.87Å; F632-L683 HydrophobicContact CE1-CD1 3.93Å; L636-L683 HydrophobicContact CD1-CB 4.33Å; V679-L683 WeakPolarHBondContact O-CB 3.36Å; V679-L683 PolarHBondContact O-N 3.47Å; A680-L683 PolarHBondContact O-N 2.73Å; L683-I685 VanDerWaalsContact C-N 3.3Å; L683-I685 PolarHBondContact O-N 3.12Å; L683-L686 PolarHBondContact O-N 3.36Å; L683-A687 WeakPolarHBondContact O-CB 3.43Å; L683-A687 PolarHBondContact O-N 3.38Å; L683-I699 HydrophobicContact CD2-CG2 4.19Å; L683-I749 HydrophobicContact CD1-CD1 4.29Å; L683-I749 HydrophobicContact CD1-CG1 3.69Å; L683-C755 HydrophobicContact CD2-CB 3.96Å; L683-C755 HydrophobicContact CG-CB 4.41Å; L683-V757 HydrophobicContact CD2-CG2 3.73Å
684	L	95.8	Very high	92.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.7	-44.2	176.2	-176.1	59.7	0	0	0	111.7	T583 A680 R681 A687 R688 L694 L696 I699	T583-L684 HydrophobicContact CG2-CD2 4.28Å; A680-L684 WeakPolarHBondContact O-CB 3.49Å; A680-L684 PolarHBondContact O-N 3.1Å; R681-L684 PolarHBondContact O-N 3.18Å; L684-A687 PolarHBondContact O-N 2.85Å; L684-R688 HydrophobicContact CD1-CG 4.26Å; L684-R688 WeakPolarHBondContact O-CB 3.33Å; L684-R688 WeakPolarHBondContact O-CG 3.25Å; L684-R688 PolarHBondContact O-N 3.15Å; L684-L694 HydrophobicContact CD1-CB 3.96Å; L684-L694 WeakPolarHBondContact CD1-O 3.37Å; L684-L696 HydrophobicContact CD2-CB 4.01Å; L684-L696 HydrophobicContact CD2-CD1 4.19Å; L684-I699 HydrophobicContact CB-CD1 3.64Å; L684-I699 HydrophobicContact CD1-CD1 4.11Å; L684-I699 HydrophobicContact CG-CD1 4.41Å
685	I	94.6	Very high	92.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.1	-50.2	177.9	-65.4	166.5	0	0	0	109.8	K579 N582 T583 Y605 N608 V609 I616 R681 K682 L683 A687 R688 E689	K579-I685 HydrophobicContact CB-CD1 4.16Å; K579-I685 HydrophobicContact CG-CD1 4.07Å; N582-I685 HydrophobicContact CB-CD1 4.15Å; N582-I685 HydrophobicContact CB-CG1 3.79Å; T583-I685 HydrophobicContact CG2-CD1 3.86Å; T583-I685 HydrophobicContact CG2-CG1 3.74Å; Y605-I685 HydrophobicContact CE2-CG2 4.46Å; N608-I685 HydrophobicContact CB-CD1 3.85Å; V609-I685 HydrophobicContact CG2-CB 4.18Å; V609-I685 HydrophobicContact CG2-CG2 4.07Å; I616-I685 HydrophobicContact CD1-CG2 4Å; R681-I685 VanDerWaalsContact O-CG1 3.27Å; R681-I685 WeakPolarHBondContact O-CG1 3.37Å; R681-I685 PolarHBondContact O-N 3.38Å; R681-I685 VanDerWaalsContact O-N 3.15Å; K682-I685 PolarHBondContact O-N 3.33Å; L683-I685 VanDerWaalsContact C-N 3.3Å; L683-I685 PolarHBondContact O-N 3.12Å; I685-A687 PolarHBondContact O-N 3.31Å; I685-R688 PolarHBondContact O-N 2.78Å; I685-E689 WeakPolarHBondContact O-CG 3.31Å; I685-E689 PolarHBondContact O-N 3.15Å
686	L	94.3	Very high	92.8	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-44.5	177.7	-69.2	172	0	0	0	112.2	V609 V615 I616 L619 F632 L636 K682 L683 E689 T690 L778 F780	V609-L686 HydrophobicContact CG1-CD1 4.05Å; V609-L686 HydrophobicContact CG1-CD2 4.26Å; V609-L686 HydrophobicContact CG1-CG 4.2Å; V609-L686 HydrophobicContact CG2-CG 4.31Å; V615-L686 HydrophobicContact CG1-CD2 3.73Å; I616-L686 HydrophobicContact CD1-CD2 3.87Å; L619-L686 HydrophobicContact CD2-CD2 3.92Å; F632-L686 HydrophobicContact CD1-CD1 4.39Å; F632-L686 HydrophobicContact CE1-CD1 3.69Å; F632-L686 HydrophobicContact CE2-CD1 3.93Å; F632-L686 HydrophobicContact CZ-CD1 3.43Å; F632-L686 VanDerWaalsContact CZ-CD1 3.43Å; L636-L686 HydrophobicContact CD2-CD1 4.48Å; K682-L686 PolarHBondContact O-N 3.3Å; L683-L686 PolarHBondContact O-N 3.36Å; L686-E689 PolarHBondContact O-N 3.42Å; L686-T690 VanDerWaalsContact O-CG2 3.29Å; L686-T690 WeakPolarHBondContact O-CG2 3.42Å; L686-T690 PolarHBondContact O-N 3.05Å; L686-L778 HydrophobicContact CD1-CD2 4.27Å; L686-F780 HydrophobicContact CD2-CE1 4.31Å; L686-F780 HydrophobicContact CD2-CZ 4.26Å
687	A	94.1	Very high	92.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-45	-179.9	0	0	0	0	0	111.6	L683 L684 I685 E689 T690 R692 L694 I749	L683-A687 WeakPolarHBondContact O-CB 3.43Å; L683-A687 PolarHBondContact O-N 3.38Å; L684-A687 PolarHBondContact O-N 2.85Å; I685-A687 PolarHBondContact O-N 3.31Å; A687-E689 VanDerWaalsContact C-N 3.34Å; A687-E689 PolarHBondContact O-N 2.84Å; A687-T690 PolarHBondContact O-N 3.22Å; A687-T690 VanDerWaalsContact O-N 3.1Å; A687-T690 PolarHBondContact O-OG1 2.87Å; A687-R692 WeakPolarHBondContact O-CB 3.45Å; A687-R692 PolarHBondContact O-N 2.69Å; A687-L694 HydrophobicContact CB-CD1 3.98Å; A687-I749 HydrophobicContact CB-CD1 4.02Å
688	R	94.4	Very high	93.1	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.019	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-39.5	175.8	-72.8	179.2	175	-176.5	-9.7	112.5	N582 S584 M586 Y589 L684 I685 T690 G691 R692 L694 E695	N582-R688 PolarHBondContact O-NH1 2.92Å; S584-R688 PolarHBondContact O-NH1 3.11Å; S584-R688 PolarHBondContact O-NH2 3.32Å; S584-R688 VanDerWaalsContact O-NH2 3.15Å; M586-R688 HydrophobicContact SD-CG 4.25Å; M586-R688 VanDerWaalsContact SD-CZ 3.52Å; M586-R688 PolarHBondContact SD-NE 3.28Å; Y589-R688 HydrophobicContact CD2-CB 4.39Å; Y589-R688 HydrophobicContact CE1-CB 4.46Å; Y589-R688 HydrophobicContact CE2-CB 3.65Å; Y589-R688 HydrophobicContact CE2-CG 4.3Å; L684-R688 HydrophobicContact CD1-CG 4.26Å; L684-R688 WeakPolarHBondContact O-CB 3.33Å; L684-R688 WeakPolarHBondContact O-CG 3.25Å; L684-R688 PolarHBondContact O-N 3.15Å; I685-R688 PolarHBondContact O-N 2.78Å; R688-T690 PolarHBondContact O-N 2.75Å; R688-G691 PolarHBondContact O-N 2.81Å; R688-R692 WeakPolarHBondContact CA-O 3.46Å; R688-L694 VanDerWaalsContact CZ-O 3.23Å; R688-L694 PolarHBondContact NE-O 2.84Å; R688-L694 PolarHBondContact NH2-O 2.99Å; R688-E695 IonicContact NH2-OE1 2.65Å; R688-E695 IonicContact NH2-OE2 3.12Å; R688-E695 PolarHBondContact NH2-OE2 3.39Å
689	E	92.4	Very high	93.3	Very high	25 Å²	25	38 Å²	38	12%	0.117	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-22.1	175.5	-69.6	-54.3	117.8	0	0	113.3	Y589 R593 Y605 I616 L619 Q620 L623 I685 L686 A687 G691	Y589-E689 PolarHBondContact OH-OE1 2.82Å; R593-E689 IonicContact NH2-OE1 3.28Å; R593-E689 PolarHBondContact NH2-OE1 3.18Å; Y605-E689 HydrophobicContact CE2-CG 4.47Å; Y605-E689 PolarHBondContact OH-OE1 3.47Å; Y605-E689 PolarHBondContact OH-OE2 3.45Å; Y605-E689 VanDerWaalsContact OH-OE2 3.08Å; I616-E689 HydrophobicContact CD1-CG 4.45Å; I616-E689 HydrophobicContact CG2-CG 4.3Å; L619-E689 HydrophobicContact CD2-CB 4.09Å; Q620-E689 PolarHBondContact NE2-OE2 3.48Å; L623-E689 WeakPolarHBondContact CD1-O 3.17Å; I685-E689 WeakPolarHBondContact O-CG 3.31Å; I685-E689 PolarHBondContact O-N 3.15Å; L686-E689 PolarHBondContact O-N 3.42Å; A687-E689 VanDerWaalsContact C-N 3.34Å; A687-E689 PolarHBondContact O-N 2.84Å; E689-G691 PolarHBondContact O-N 2.77Å
690	T	91.4	Very high	93.4	Very high	32 Å²	32	43.2 Å²	43.2	20%	0.196	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	5	173.2	68.7	0	0	0	0	113.4	L619 L629 L686 A687 R688 R692	L619-T690 HydrophobicContact CD1-CG2 4.35Å; L619-T690 HydrophobicContact CD2-CG2 4.19Å; L629-T690 HydrophobicContact CB-CG2 4.06Å; L629-T690 HydrophobicContact CD2-CG2 3.36Å; L629-T690 HydrophobicContact CG-CG2 4.34Å; L686-T690 VanDerWaalsContact O-CG2 3.29Å; L686-T690 WeakPolarHBondContact O-CG2 3.42Å; L686-T690 PolarHBondContact O-N 3.05Å; A687-T690 PolarHBondContact O-N 3.22Å; A687-T690 VanDerWaalsContact O-N 3.1Å; A687-T690 PolarHBondContact O-OG1 2.87Å; R688-T690 PolarHBondContact O-N 2.75Å; T690-R692 WeakPolarHBondContact OG1-CD 3.23Å
691	G	88.7	Confident	93.4	Very high	67 Å²	67	45.7 Å²	45.7	69%	0.691	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.8	11.4	-179.7	0	0	0	0	0	114.6	R688 E689	R688-G691 PolarHBondContact O-N 2.81Å; E689-G691 PolarHBondContact O-N 2.77Å
692	R	89.7	Confident	93.4	Very high	70 Å²	70	44.6 Å²	44.6	26%	0.264	25%	0.248	S	C	.	.			trans	-86.6	131.7	180	-59.5	172.7	177.8	-84.3	4.3	111.2	A687 R688 T690 L694	A687-R692 WeakPolarHBondContact O-CB 3.45Å; A687-R692 PolarHBondContact O-N 2.69Å; R688-R692 WeakPolarHBondContact CA-O 3.46Å; T690-R692 WeakPolarHBondContact OG1-CD 3.23Å; R692-L694 HydrophobicContact CB-CD1 4.15Å; R692-L694 HydrophobicContact CB-CG 4.18Å; R692-L694 PolarHBondContact O-N 2.94Å
693	E	91.7	Very high	93.2	Very high	151 Å²	151	46.9 Å²	46.9	71%	0.706	26%	0.264	S	S	*	.			trans	-89.2	90.2	173.5	-61.6	-174.1	171.2	0	0	109.4	M586	M586-E693 HydrophobicContact CE-CB 3.93Å; M586-E693 HydrophobicContact CE-CG 3.84Å
694	L	93.4	Very high	93	Very high	33 Å²	33	47 Å²	47	17%	0.173	27%	0.265	C	S	.	.			trans	-125.9	147.5	-179.6	-66.2	173.2	0	0	0	110.5	L684 A687 R688 R692 D698 C755	L684-L694 HydrophobicContact CD1-CB 3.96Å; L684-L694 WeakPolarHBondContact CD1-O 3.37Å; A687-L694 HydrophobicContact CB-CD1 3.98Å; R688-L694 VanDerWaalsContact CZ-O 3.23Å; R688-L694 PolarHBondContact NE-O 2.84Å; R688-L694 PolarHBondContact NH2-O 2.99Å; R692-L694 HydrophobicContact CB-CD1 4.15Å; R692-L694 HydrophobicContact CB-CG 4.18Å; R692-L694 PolarHBondContact O-N 2.94Å; L694-D698 HydrophobicContact CD2-CB 3.91Å; L694-C755 HydrophobicContact CD1-CB 4.44Å; L694-C755 VanDerWaalsContact CD1-SG 3.56Å
695	E	94	Very high	92.7	Very high	66 Å²	66	48.1 Å²	48.1	31%	0.308	27%	0.271	S	S	.	.			trans	-102.6	164	166	-66.5	-68.6	-178.1	0	0	110.7	M586 R688 A697 D698	M586-E695 WeakPolarHBondContact CB-OE1 3.36Å; M586-E695 HydrophobicContact CG-CG 4.33Å; M586-E695 WeakPolarHBondContact CG-OE1 3.21Å; M586-E695 PolarHBondContact N-OE1 3.4Å; R688-E695 IonicContact NH2-OE1 2.65Å; R688-E695 IonicContact NH2-OE2 3.12Å; R688-E695 PolarHBondContact NH2-OE2 3.39Å; E695-A697 PolarHBondContact O-N 2.79Å; E695-A697 VanDerWaalsContact O-N 3.16Å; E695-D698 PolarHBondContact N-OD2 3.32Å; E695-D698 WeakPolarHBondContact O-CB 3.43Å; E695-D698 PolarHBondContact O-N 3.01Å
696	L	91.7	Very high	92.4	Very high	46 Å²	46	49.9 Å²	49.9	24%	0.241	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-60.3	-27.8	178.8	-170.6	62.5	0	0	0	112.5	M677 A680 R681 L684 D698 I699	M677-L696 HydrophobicContact SD-CD1 4.28Å; M677-L696 HydrophobicContact SD-CD2 3.72Å; M677-L696 HydrophobicContact SD-CG 4.24Å; A680-L696 HydrophobicContact CB-CD1 3.99Å; R681-L696 HydrophobicContact CG-CD1 4.35Å; L684-L696 HydrophobicContact CD2-CB 4.01Å; L684-L696 HydrophobicContact CD2-CD1 4.19Å; L696-D698 VanDerWaalsContact C-N 3.26Å; L696-D698 PolarHBondContact O-N 2.83Å; L696-I699 HydrophobicContact CD1-CD1 4.36Å; L696-I699 PolarHBondContact O-N 2.86Å
697	A	93.2	Very high	91.9	Very high	95 Å²	95	55.2 Å²	55.2	79%	0.785	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-70.9	-19.5	176.4	0	0	0	0	0	113.5	E695 I699	E695-A697 PolarHBondContact O-N 2.79Å; E695-A697 VanDerWaalsContact O-N 3.16Å; A697-I699 VanDerWaalsContact C-N 3.29Å
698	D	93.7	Very high	91.4	Very high	88 Å²	88	64.5 Å²	64.5	47%	0.471	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-84	-7.6	178.7	-55.4	-44.1	0	0	0	112.3	L694 E695 L696	L694-D698 HydrophobicContact CD2-CB 3.91Å; E695-D698 PolarHBondContact N-OD2 3.32Å; E695-D698 WeakPolarHBondContact O-CB 3.43Å; E695-D698 PolarHBondContact O-N 3.01Å; L696-D698 VanDerWaalsContact C-N 3.26Å; L696-D698 PolarHBondContact O-N 2.83Å
699	I	94.6	Very high	91.1	Very high	10 Å²	10	65.3 Å²	65.3	5%	0.051	37%	0.374	C	S	.	.	S	Bend	trans	-85.9	121.4	176.1	-58.8	-174	0	0	0	109	A680 L683 L684 L696 A697 I701 C755 V757	A680-I699 HydrophobicContact CB-CG2 4.25Å; A680-I699 VanDerWaalsContact O-CD1 3.29Å; A680-I699 WeakPolarHBondContact O-CD1 3.28Å; L683-I699 HydrophobicContact CD2-CG2 4.19Å; L684-I699 HydrophobicContact CB-CD1 3.64Å; L684-I699 HydrophobicContact CD1-CD1 4.11Å; L684-I699 HydrophobicContact CG-CD1 4.41Å; L696-I699 HydrophobicContact CD1-CD1 4.36Å; L696-I699 PolarHBondContact O-N 2.86Å; A697-I699 VanDerWaalsContact C-N 3.29Å; I699-I701 HydrophobicContact CG2-CG1 3.99Å; I699-I701 PolarHBondContact O-N 3.48Å; I699-C755 HydrophobicContact CG1-CB 4Å; I699-C755 HydrophobicContact CG2-CB 4.43Å; I699-V757 HydrophobicContact CG2-CG2 3.89Å
700	E	95.4	Very high	90.6	Very high	110 Å²	110	68.3 Å²	68.3	51%	0.514	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	109.9	172.6	-64.6	173.9	-170.6	0	0	109.1	C755 R756 V757	E700-C755 PolarHBondContact N-O 3.38Å; E700-R756 HydrophobicContact CB-CG 4.2Å; E700-R756 CarbonylContact O-C 3.56Å; E700-R756 WeakPolarHBondContact O-CA 3.42Å; E700-R756 WeakPolarHBondContact OE2-CD 3.36Å; E700-R756 IonicContact OE2-CZ 2.79Å; E700-R756 IonicContact OE2-NE 4Å; E700-R756 PolarHBondContact OE2-NE 3Å; E700-R756 IonicContact OE2-NH2 3.47Å; E700-V757 PolarHBondContact O-N 3.48Å
701	I	94.4	Very high	90.2	Very high	52 Å²	52	68.3 Å²	68.3	27%	0.267	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.6	-180	-53.8	169.5	0	0	0	108.6	M677 A680 I699 P703 V757	M677-I701 HydrophobicContact CE-CD1 3.96Å; M677-I701 HydrophobicContact SD-CD1 4.38Å; A680-I701 HydrophobicContact CB-CD1 3.51Å; A680-I701 HydrophobicContact CB-CG1 3.92Å; I699-I701 HydrophobicContact CG2-CG1 3.99Å; I699-I701 PolarHBondContact O-N 3.48Å; I701-P703 VanDerWaalsContact O-CD 3.29Å; I701-P703 WeakPolarHBondContact O-CD 3.37Å; I701-V757 HydrophobicContact CG1-CB 4.45Å; I701-V757 HydrophobicContact CG2-CB 4.39Å; I701-V757 HydrophobicContact CG2-CG1 4.49Å
702	E	93.7	Very high	90	Very high	67 Å²	67	72.3 Å²	72.3	31%	0.313	40%	0.395	S	S	.	.			trans	-86.4	105	160.5	-179.2	-165.6	-178.8	0	0	107.3	R732 Y745 V757 K758 I759	E702-R732 IonicContact OE1-NH1 3.75Å; E702-R732 PolarHBondContact OE1-NH1 3.07Å; E702-Y745 WeakPolarHBondContact O-CE2 3.34Å; E702-Y745 PolarHBondContact O-OH 2.81Å; E702-V757 PolarHBondContact N-O 3.25Å; E702-K758 HydrophobicContact CB-CB 4.12Å; E702-K758 VanDerWaalsContact OE2-CB 3.31Å; E702-K758 WeakPolarHBondContact OE2-CB 3.35Å; E702-I759 PolarHBondContact OE2-N 3.33Å
703	P	89.7	Confident	89.7	Confident	66 Å²	66	71.5 Å²	71.5	43%	0.429	41%	0.408	S	S	.	.			trans	-61.1	149.9	175.7	-18.4	32.9	0	0	0	110.2	I701 L705	I701-P703 VanDerWaalsContact O-CD 3.29Å; I701-P703 WeakPolarHBondContact O-CD 3.37Å; P703-L705 PolarHBondContact O-N 3.04Å
704	V	91.4	Very high	89.6	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.018	40%	0.401	C	S	.	.	S	Bend	trans	-64.6	-36.3	176.5	-178.4	0	0	0	0	110.5	L640 F644 F653 L674 F729 Y745	L640-V704 HydrophobicContact CD2-CG2 4.02Å; F644-V704 HydrophobicContact CE2-CG1 4.23Å; F644-V704 HydrophobicContact CE2-CG2 4.31Å; F644-V704 HydrophobicContact CZ-CG1 4.14Å; F653-V704 HydrophobicContact CE2-CG1 3.77Å; F653-V704 HydrophobicContact CZ-CG1 3.7Å; L674-V704 HydrophobicContact CB-CB 4.42Å; L674-V704 HydrophobicContact CD2-CB 4.16Å; L674-V704 HydrophobicContact CD2-CG1 3.97Å; L674-V704 HydrophobicContact CD2-CG2 4.44Å; L674-V704 WeakPolarHBondContact O-CB 3.35Å; L674-V704 WeakPolarHBondContact O-CG2 3.39Å; L674-V704 PolarHBondContact O-N 3.24Å; L674-V704 VanDerWaalsContact O-N 3.12Å; V704-F729 HydrophobicContact CG1-CE1 4.35Å; V704-F729 HydrophobicContact CG1-CZ 3.76Å; V704-F729 WeakPolarHBondContact O-CZ 3.41Å; V704-Y745 HydrophobicContact CG2-CD2 3.7Å; V704-Y745 HydrophobicContact CG2-CE1 4.39Å; V704-Y745 HydrophobicContact CG2-CE2 3.47Å; V704-Y745 VanDerWaalsContact CG2-CE2 3.47Å; V704-Y745 HydrophobicContact CG2-CG 4.25Å
705	L	90.3	Very high	89.4	Confident	23 Å²	23	69.2 Å²	69.2	12%	0.12	40%	0.402	C	S	.	.	S	Bend	trans	-82.2	126.6	178.8	-58.8	175.1	0	0	0	110.4	F653 L674 P703 F709 A711 F718 L722 L725	F653-L705 HydrophobicContact CE1-CD2 4.08Å; F653-L705 HydrophobicContact CZ-CD2 4.31Å; L674-L705 HydrophobicContact CB-CD1 4.34Å; L674-L705 HydrophobicContact CB-CG 4.23Å; L674-L705 HydrophobicContact CD1-CD2 4.24Å; P703-L705 PolarHBondContact O-N 3.04Å; L705-F709 HydrophobicContact CB-CD1 4.44Å; L705-F709 HydrophobicContact CD1-CD1 4.32Å; L705-F709 HydrophobicContact CD2-CD1 4.19Å; L705-F709 HydrophobicContact CD2-CE1 4.33Å; L705-A711 HydrophobicContact CD1-CB 4.27Å; L705-F718 HydrophobicContact CD1-CE2 3.72Å; L705-F718 HydrophobicContact CD1-CZ 3.94Å; L705-L722 HydrophobicContact CD2-CD2 4.14Å; L705-L725 HydrophobicContact CD2-CD1 3.63Å
706	P	87.5	Confident	89.1	Confident	38 Å²	38	69.2 Å²	69.2	25%	0.247	41%	0.413	C	S	.	.			trans	-59.2	148.1	174.2	-21.8	32.3	0	0	0	111.9	E708 F709 L725 L728	P706-E708 PolarHBondContact O-N 2.94Å; P706-F709 VanDerWaalsContact O-CB 3.27Å; P706-F709 WeakPolarHBondContact O-CB 3.46Å; P706-F709 PolarHBondContact O-N 3.46Å; P706-L725 HydrophobicContact CG-CD2 3.89Å; P706-L728 HydrophobicContact CG-CD1 3.97Å; P706-L728 HydrophobicContact CG-CD2 4.5Å
707	A	84.3	Confident	89	Confident	112 Å²	112	69 Å²	69	93%	0.926	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.2	179.7	0	0	0	0	0	114	F709	A707-F709 VanDerWaalsContact C-N 3.3Å
708	E	84	Confident	88.9	Confident	196 Å²	196	64.4 Å²	64.4	92%	0.916	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.7	-179.3	-45.8	-145.9	-142.3	0	0	112.7	P706	P706-E708 PolarHBondContact O-N 2.94Å
709	F	87.3	Confident	88.8	Confident	21 Å²	21	61.2 Å²	61.2	9%	0.092	36%	0.363	C	S	.	.	S	Bend	trans	-79.7	126.7	179.1	-177	-102.2	0	0	0	111.1	L705 P706 A707 A711 F718 N721 L722 L725	L705-F709 HydrophobicContact CB-CD1 4.44Å; L705-F709 HydrophobicContact CD1-CD1 4.32Å; L705-F709 HydrophobicContact CD2-CD1 4.19Å; L705-F709 HydrophobicContact CD2-CE1 4.33Å; P706-F709 VanDerWaalsContact O-CB 3.27Å; P706-F709 WeakPolarHBondContact O-CB 3.46Å; P706-F709 PolarHBondContact O-N 3.46Å; A707-F709 VanDerWaalsContact C-N 3.3Å; F709-A711 HydrophobicContact CD1-CB 4.2Å; F709-A711 HydrophobicContact CE1-CB 4.41Å; F709-A711 PolarHBondContact O-N 3.15Å; F709-F718 HydrophobicContact CE1-CD2 4.02Å; F709-F718 AromaticContact CE1-CE2 3.7Å; F709-F718 HydrophobicContact CE1-CE2 3.7Å; F709-F718 HydrophobicContact CZ-CE2 4.5Å; F709-N721 HydrophobicContact CE2-CB 4.12Å; F709-N721 WeakPolarHBondContact CE2-O 3.39Å; F709-N721 HydrophobicContact CZ-CB 3.82Å; F709-L722 HydrophobicContact CE1-CD2 4.36Å; F709-L722 HydrophobicContact CZ-CD2 4.09Å; F709-L725 HydrophobicContact CB-CD1 4.46Å; F709-L725 HydrophobicContact CB-CD2 4.22Å; F709-L725 HydrophobicContact CD1-CD1 4.23Å; F709-L725 HydrophobicContact CD2-CD1 3.63Å; F709-L725 HydrophobicContact CD2-CD2 3.64Å; F709-L725 HydrophobicContact CD2-CG 3.54Å; F709-L725 HydrophobicContact CE1-CD1 4.41Å; F709-L725 HydrophobicContact CE2-CD1 3.82Å; F709-L725 HydrophobicContact CE2-CD2 4.34Å; F709-L725 HydrophobicContact CE2-CG 3.75Å; F709-L725 HydrophobicContact CG-CD1 3.84Å; F709-L725 HydrophobicContact CG-CD2 4.15Å; F709-L725 HydrophobicContact CG-CG 4.19Å; F709-L725 HydrophobicContact CZ-CD1 4.21Å
710	N	83.1	Confident	88.5	Confident	88 Å²	88	63.9 Å²	63.9	47%	0.471	39%	0.386	S	S	.	.			trans	-75.5	97.5	174.5	-174.2	-0.7	0	0	0	110.9	E712	N710-E712 VanDerWaalsContact C-N 3.34Å; N710-E712 VanDerWaalsContact OD1-CB 3.23Å; N710-E712 WeakPolarHBondContact OD1-CB 3.36Å; N710-E712 WeakPolarHBondContact OD1-CG 3.49Å; N710-E712 PolarHBondContact OD1-N 3.42Å
711	A	81.8	Confident	88.3	Confident	33 Å²	33	60.9 Å²	60.9	27%	0.273	37%	0.374	S	S	.	.			trans	-87.4	3.8	175.8	0	0	0	0	0	114.3	R671 L705 F709 F718	R671-A711 WeakPolarHBondContact CD-O 3.38Å; R671-A711 PolarHBondContact NH1-O 3.21Å; L705-A711 HydrophobicContact CD1-CB 4.27Å; F709-A711 HydrophobicContact CD1-CB 4.2Å; F709-A711 HydrophobicContact CE1-CB 4.41Å; F709-A711 PolarHBondContact O-N 3.15Å; A711-F718 HydrophobicContact CB-CD2 4.33Å; A711-F718 HydrophobicContact CB-CE2 4.22Å
712	E	84.7	Confident	88.1	Confident	151 Å²	151	58.4 Å²	58.4	71%	0.706	36%	0.361	S	S	*	.			trans	-74.8	167.4	179.9	-57.2	-177.9	171	0	0	112.4	N710	N710-E712 VanDerWaalsContact C-N 3.34Å; N710-E712 VanDerWaalsContact OD1-CB 3.23Å; N710-E712 WeakPolarHBondContact OD1-CB 3.36Å; N710-E712 WeakPolarHBondContact OD1-CG 3.49Å; N710-E712 PolarHBondContact OD1-N 3.42Å
713	G	83.8	Confident	88	Confident	53 Å²	53	58.3 Å²	58.3	55%	0.546	37%	0.368	S	S	.	.	S	Bend	trans	98	-175.1	178.9	0	0	0	0	0	114	R671	R671-G713 PolarHBondContact NH1-O 2.74Å; R671-G713 PolarHBondContact NH2-O 2.69Å
714	D	90.5	Very high	88.1	Confident	103 Å²	103	61.3 Å²	61.3	55%	0.551	38%	0.376	S	S	*	.			trans	-72.3	165.6	174.8	71	19.1	0	0	0	111.5	A716 A717 F718	D714-A716 PolarHBondContact O-N 3.02Å; D714-A716 PolarHBondContact OD1-N 3.16Å; D714-A717 PolarHBondContact O-N 3.33Å; D714-A717 VanDerWaalsContact OD1-CB 3.3Å; D714-A717 WeakPolarHBondContact OD1-CB 3.32Å; D714-A717 PolarHBondContact OD1-N 3.49Å; D714-F718 WeakPolarHBondContact O-CB 3.44Å; D714-F718 PolarHBondContact O-N 2.92Å
715	V	88	Confident	88.1	Confident	32 Å²	32	61.7 Å²	61.7	19%	0.194	38%	0.378	C	S	.	.	H	α-helix	trans	-60.7	-30.5	-177.3	-178.1	0	0	0	0	111.5	D669 M719	D669-V715 HydrophobicContact CB-CG2 4.16Å; V715-M719 HydrophobicContact CG1-CG 4.29Å; V715-M719 WeakPolarHBondContact O-CB 3.36Å; V715-M719 WeakPolarHBondContact O-CG 3.43Å; V715-M719 PolarHBondContact O-N 3.37Å
716	A	88.9	Confident	88.2	Confident	67 Å²	67	62 Å²	62	55%	0.554	38%	0.38	S	S	*	.	H	α-helix	trans	-70.8	-45.4	-179.8	0	0	0	0	0	111.8	D714 M719 A720	D714-A716 PolarHBondContact O-N 3.02Å; D714-A716 PolarHBondContact OD1-N 3.16Å; A716-M719 PolarHBondContact O-N 2.85Å; A716-A720 PolarHBondContact O-N 2.89Å
717	A	89.1	Confident	88.4	Confident	40 Å²	40	66.8 Å²	66.8	33%	0.331	40%	0.403	S	S	.	.	H	α-helix	trans	-63.6	-42.7	175.2	0	0	0	0	0	111.5	D714 M719 A720 N721	D714-A717 PolarHBondContact O-N 3.33Å; D714-A717 VanDerWaalsContact OD1-CB 3.3Å; D714-A717 WeakPolarHBondContact OD1-CB 3.32Å; D714-A717 PolarHBondContact OD1-N 3.49Å; A717-M719 PolarHBondContact O-N 2.85Å; A717-A720 PolarHBondContact O-N 3Å; A717-N721 VanDerWaalsContact O-CG 3.31Å; A717-N721 PolarHBondContact O-N 2.97Å; A717-N721 PolarHBondContact O-ND2 3.42Å
718	F	91.6	Very high	88.8	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-56.1	-51.1	173.8	169.6	-100.6	0	0	0	111.6	P670 R671 L674 L705 F709 A711 D714 A720 N721 L722	P670-F718 HydrophobicContact CB-CE1 4.3Å; R671-F718 HydrophobicContact CG-CD1 3.95Å; R671-F718 HydrophobicContact CG-CD2 3.72Å; R671-F718 HydrophobicContact CG-CE1 3.7Å; R671-F718 HydrophobicContact CG-CE2 3.43Å; R671-F718 VanDerWaalsContact CG-CE2 3.43Å; R671-F718 HydrophobicContact CG-CG 3.97Å; R671-F718 HydrophobicContact CG-CZ 3.42Å; R671-F718 VanDerWaalsContact CG-CZ 3.42Å; L674-F718 HydrophobicContact CD1-CE1 4.27Å; L674-F718 HydrophobicContact CD1-CZ 3.84Å; L705-F718 HydrophobicContact CD1-CE2 3.72Å; L705-F718 HydrophobicContact CD1-CZ 3.94Å; F709-F718 HydrophobicContact CE1-CD2 4.02Å; F709-F718 AromaticContact CE1-CE2 3.7Å; F709-F718 HydrophobicContact CE1-CE2 3.7Å; F709-F718 HydrophobicContact CZ-CE2 4.5Å; A711-F718 HydrophobicContact CB-CD2 4.33Å; A711-F718 HydrophobicContact CB-CE2 4.22Å; D714-F718 WeakPolarHBondContact O-CB 3.44Å; D714-F718 PolarHBondContact O-N 2.92Å; F718-A720 VanDerWaalsContact C-N 3.32Å; F718-A720 PolarHBondContact O-N 3.14Å; F718-N721 PolarHBondContact O-N 2.69Å; F718-N721 VanDerWaalsContact O-N 3.14Å; F718-L722 HydrophobicContact CE1-CD1 4.09Å; F718-L722 HydrophobicContact CE1-CD2 4.1Å; F718-L722 HydrophobicContact CE1-CG 4.23Å; F718-L722 HydrophobicContact CE2-CD2 4.12Å; F718-L722 HydrophobicContact CZ-CD1 4.48Å; F718-L722 HydrophobicContact CZ-CD2 3.68Å; F718-L722 HydrophobicContact CZ-CG 4.29Å; F718-L722 PolarHBondContact O-N 3.23Å
719	M	90.7	Very high	89.2	Confident	21 Å²	21	55.3 Å²	55.3	10%	0.103	33%	0.332	C	S	.	.	H	α-helix	trans	-63.1	-36.3	179.9	-70.4	-63.8	-61.4	0	0	112.8	T657 T658 P670 V715 A716 A717 N721 L722	T657-M719 HydrophobicContact CG2-CE 4.23Å; T657-M719 HydrophobicContact CG2-SD 4.28Å; T658-M719 HydrophobicContact CG2-CE 4.45Å; T658-M719 VanDerWaalsContact OG1-CE 3.23Å; T658-M719 WeakPolarHBondContact OG1-CE 3.48Å; P670-M719 HydrophobicContact CB-SD 4.47Å; P670-M719 HydrophobicContact CG-SD 3.88Å; V715-M719 HydrophobicContact CG1-CG 4.29Å; V715-M719 WeakPolarHBondContact O-CB 3.36Å; V715-M719 WeakPolarHBondContact O-CG 3.43Å; V715-M719 PolarHBondContact O-N 3.37Å; A716-M719 PolarHBondContact O-N 2.85Å; A717-M719 PolarHBondContact O-N 2.85Å; M719-N721 VanDerWaalsContact C-N 3.33Å; M719-L722 HydrophobicContact CE-CD1 3.94Å; M719-L722 PolarHBondContact O-N 3.49Å; M719-L722 HydrophobicContact SD-CD1 3.59Å; M719-L722 VanDerWaalsContact SD-CD1 3.59Å
720	A	88.4	Confident	89.4	Confident	66 Å²	66	57.1 Å²	57.1	55%	0.545	35%	0.351	S	S	.	.	H	α-helix	trans	-65.7	-37	175.2	0	0	0	0	0	112.2	A716 A717 F718 L722 S723	A716-A720 PolarHBondContact O-N 2.89Å; A717-A720 PolarHBondContact O-N 3Å; F718-A720 VanDerWaalsContact C-N 3.32Å; F718-A720 PolarHBondContact O-N 3.14Å; A720-L722 VanDerWaalsContact C-N 3.33Å; A720-L722 PolarHBondContact O-N 2.82Å; A720-S723 PolarHBondContact O-OG 3.27Å
721	N	91	Very high	89.9	Confident	46 Å²	46	55.9 Å²	55.9	25%	0.246	35%	0.353	C	S	.	.	H	α-helix	trans	-72.9	-21.8	179.6	-72	-16.2	0	0	0	113.4	F709 A717 F718 M719 S723 Q724	F709-N721 HydrophobicContact CE2-CB 4.12Å; F709-N721 WeakPolarHBondContact CE2-O 3.39Å; F709-N721 HydrophobicContact CZ-CB 3.82Å; A717-N721 VanDerWaalsContact O-CG 3.31Å; A717-N721 PolarHBondContact O-N 2.97Å; A717-N721 PolarHBondContact O-ND2 3.42Å; F718-N721 PolarHBondContact O-N 2.69Å; F718-N721 VanDerWaalsContact O-N 3.14Å; M719-N721 VanDerWaalsContact C-N 3.33Å; N721-S723 PolarHBondContact O-N 2.8Å; N721-Q724 VanDerWaalsContact O-CB 3.3Å; N721-Q724 WeakPolarHBondContact O-CB 3.45Å; N721-Q724 WeakPolarHBondContact O-CG 3.13Å; N721-Q724 PolarHBondContact O-N 3.43Å
722	L	90.5	Very high	90.5	Very high	0 Å²	0	59 Å²	59	0%	0	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-55.3	-29	-178.9	-73.5	179.1	0	0	0	113.6	F653 T657 L705 F709 F718 M719 A720 Q724 L725	F653-L722 HydrophobicContact CD1-CD2 4.47Å; F653-L722 HydrophobicContact CE1-CD2 3.91Å; T657-L722 HydrophobicContact CG2-CD1 3.68Å; L705-L722 HydrophobicContact CD2-CD2 4.14Å; F709-L722 HydrophobicContact CE1-CD2 4.36Å; F709-L722 HydrophobicContact CZ-CD2 4.09Å; F718-L722 HydrophobicContact CE1-CD1 4.09Å; F718-L722 HydrophobicContact CE1-CD2 4.1Å; F718-L722 HydrophobicContact CE1-CG 4.23Å; F718-L722 HydrophobicContact CE2-CD2 4.12Å; F718-L722 HydrophobicContact CZ-CD1 4.48Å; F718-L722 HydrophobicContact CZ-CD2 3.68Å; F718-L722 HydrophobicContact CZ-CG 4.29Å; F718-L722 PolarHBondContact O-N 3.23Å; M719-L722 HydrophobicContact CE-CD1 3.94Å; M719-L722 PolarHBondContact O-N 3.49Å; M719-L722 HydrophobicContact SD-CD1 3.59Å; M719-L722 VanDerWaalsContact SD-CD1 3.59Å; A720-L722 VanDerWaalsContact C-N 3.33Å; A720-L722 PolarHBondContact O-N 2.82Å; L722-Q724 PolarHBondContact O-N 2.97Å; L722-Q724 VanDerWaalsContact O-N 3.15Å; L722-L725 HydrophobicContact CD2-CD1 4.46Å; L722-L725 WeakPolarHBondContact O-CB 3.35Å; L722-L725 PolarHBondContact O-N 3.3Å
723	S	91.1	Very high	90.9	Very high	66 Å²	66	52.7 Å²	52.7	46%	0.462	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-57.4	-25.7	176.5	57.7	0	0	0	0	113.5	A720 N721 L725 D726	A720-S723 PolarHBondContact O-OG 3.27Å; N721-S723 PolarHBondContact O-N 2.8Å; S723-L725 PolarHBondContact O-N 3.44Å; S723-D726 WeakPolarHBondContact CA-OD2 3.44Å; S723-D726 WeakPolarHBondContact O-CB 3.19Å; S723-D726 PolarHBondContact O-N 3.37Å
724	Q	91.3	Very high	91.3	Very high	129 Å²	129	52.1 Å²	52.1	60%	0.603	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-66	-18.5	175.6	-60.3	174.1	22.1	0	0	113.1	N721 L722	N721-Q724 VanDerWaalsContact O-CB 3.3Å; N721-Q724 WeakPolarHBondContact O-CB 3.45Å; N721-Q724 WeakPolarHBondContact O-CG 3.13Å; N721-Q724 PolarHBondContact O-N 3.43Å; L722-Q724 PolarHBondContact O-N 2.97Å; L722-Q724 VanDerWaalsContact O-N 3.15Å
725	L	91.6	Very high	91.4	Very high	11 Å²	11	52.3 Å²	52.3	6%	0.058	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-94.6	-8	178.6	-61.5	178.5	0	0	0	113	F653 L705 P706 F709 L722 S723 D727 L728 F729	F653-L725 HydrophobicContact CD1-CB 4.09Å; F653-L725 HydrophobicContact CD1-CD1 4.32Å; F653-L725 HydrophobicContact CE1-CD1 3.99Å; L705-L725 HydrophobicContact CD2-CD1 3.63Å; P706-L725 HydrophobicContact CG-CD2 3.89Å; F709-L725 HydrophobicContact CB-CD1 4.46Å; F709-L725 HydrophobicContact CB-CD2 4.22Å; F709-L725 HydrophobicContact CD1-CD1 4.23Å; F709-L725 HydrophobicContact CD2-CD1 3.63Å; F709-L725 HydrophobicContact CD2-CD2 3.64Å; F709-L725 HydrophobicContact CD2-CG 3.54Å; F709-L725 HydrophobicContact CE1-CD1 4.41Å; F709-L725 HydrophobicContact CE2-CD1 3.82Å; F709-L725 HydrophobicContact CE2-CD2 4.34Å; F709-L725 HydrophobicContact CE2-CG 3.75Å; F709-L725 HydrophobicContact CG-CD1 3.84Å; F709-L725 HydrophobicContact CG-CD2 4.15Å; F709-L725 HydrophobicContact CG-CG 4.19Å; F709-L725 HydrophobicContact CZ-CD1 4.21Å; L722-L725 HydrophobicContact CD2-CD1 4.46Å; L722-L725 WeakPolarHBondContact O-CB 3.35Å; L722-L725 PolarHBondContact O-N 3.3Å; S723-L725 PolarHBondContact O-N 3.44Å; L725-D727 PolarHBondContact O-N 2.73Å; L725-L728 PolarHBondContact O-N 2.91Å; L725-F729 HydrophobicContact CB-CD2 4.08Å; L725-F729 HydrophobicContact CB-CE2 4.28Å; L725-F729 WeakPolarHBondContact O-CD2 3.48Å; L725-F729 PolarHBondContact O-N 3.34Å
726	D	92.9	Very high	91.7	Very high	29 Å²	29	50.8 Å²	50.8	16%	0.155	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-43.3	-174	-74.6	-23.3	0	0	0	112	S652 F653 S654 S723 L728 F729 A730	S652-D726 VanDerWaalsContact CB-CG 3.47Å; S652-D726 WeakPolarHBondContact CB-OD1 3.45Å; S652-D726 PolarHBondContact OG-OD1 3.22Å; S652-D726 PolarHBondContact OG-OD2 3.36Å; F653-D726 PolarHBondContact N-OD1 3.33Å; S654-D726 WeakPolarHBondContact CB-OD1 3.45Å; S654-D726 WeakPolarHBondContact CB-OD2 3.44Å; S654-D726 PolarHBondContact N-OD1 3.04Å; S654-D726 PolarHBondContact OG-OD1 2.92Å; S654-D726 PolarHBondContact OG-OD2 3Å; S723-D726 WeakPolarHBondContact CA-OD2 3.44Å; S723-D726 WeakPolarHBondContact O-CB 3.19Å; S723-D726 PolarHBondContact O-N 3.37Å; D726-L728 VanDerWaalsContact C-N 3.32Å; D726-L728 PolarHBondContact O-N 3.28Å; D726-F729 PolarHBondContact O-N 3.41Å; D726-A730 WeakPolarHBondContact O-CB 3.34Å; D726-A730 PolarHBondContact O-N 3.12Å
727	D	91.8	Very high	91.8	Very high	139 Å²	139	54 Å²	54	74%	0.743	30%	0.304	S	S	*	.	H	α-helix	trans	-63.5	-38.3	177.3	-71.2	-26.7	0	0	0	112.1	L725 A731	L725-D727 PolarHBondContact O-N 2.73Å; D727-A731 WeakPolarHBondContact O-CB 3.4Å; D727-A731 PolarHBondContact O-N 3.43Å
728	L	92.7	Very high	91.9	Very high	64 Å²	64	58.9 Å²	58.9	34%	0.335	33%	0.325	S	S	.	.	H	α-helix	trans	-66	-47.7	178.9	-179.1	152.9	0	0	0	111.1	P706 L725 D726 A731 R732	P706-L728 HydrophobicContact CG-CD1 3.97Å; P706-L728 HydrophobicContact CG-CD2 4.5Å; L725-L728 PolarHBondContact O-N 2.91Å; D726-L728 VanDerWaalsContact C-N 3.32Å; D726-L728 PolarHBondContact O-N 3.28Å; L728-A731 PolarHBondContact O-N 2.82Å; L728-R732 PolarHBondContact O-N 3.04Å; L728-R732 VanDerWaalsContact O-N 3.09Å
729	F	93	Very high	92	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.009	35%	0.347	C	S	.	.	H	α-helix	trans	-70.4	-37.5	178	-83.8	-81	0	0	0	111.8	F644 L647 F653 V704 L725 D726 A731 R732 V733 I759	F644-F729 HydrophobicContact CE1-CE1 4.39Å; F644-F729 HydrophobicContact CZ-CE1 4.29Å; L647-F729 HydrophobicContact CD1-CD1 4.01Å; F653-F729 HydrophobicContact CB-CB 3.99Å; F653-F729 HydrophobicContact CB-CD2 3.83Å; F653-F729 HydrophobicContact CB-CG 3.98Å; F653-F729 AromaticContact CD1-CD2 3.84Å; F653-F729 HydrophobicContact CD1-CD2 3.84Å; F653-F729 AromaticContact CD1-CE2 3.83Å; F653-F729 HydrophobicContact CD1-CE2 3.83Å; F653-F729 HydrophobicContact CD2-CD1 4.34Å; F653-F729 HydrophobicContact CD2-CD2 4Å; F653-F729 HydrophobicContact CD2-CE1 4.33Å; F653-F729 HydrophobicContact CD2-CE2 4Å; F653-F729 HydrophobicContact CD2-CG 4.18Å; F653-F729 HydrophobicContact CD2-CZ 4.17Å; F653-F729 HydrophobicContact CE1-CD2 4.38Å; F653-F729 AromaticContact CE1-CE2 3.89Å; F653-F729 HydrophobicContact CE1-CE2 3.89Å; F653-F729 HydrophobicContact CE2-CE1 4.4Å; F653-F729 HydrophobicContact CE2-CE2 4.08Å; F653-F729 HydrophobicContact CE2-CZ 4Å; F653-F729 AromaticContact CG-CD2 3.61Å; F653-F729 HydrophobicContact CG-CD2 3.61Å; F653-F729 AromaticContact CG-CE2 3.87Å; F653-F729 HydrophobicContact CG-CE2 3.87Å; F653-F729 HydrophobicContact CG-CG 4.05Å; F653-F729 HydrophobicContact CG-CZ 4.5Å; F653-F729 HydrophobicContact CZ-CE2 4.02Å; F653-F729 HydrophobicContact CZ-CZ 4.18Å; V704-F729 HydrophobicContact CG1-CE1 4.35Å; V704-F729 HydrophobicContact CG1-CZ 3.76Å; V704-F729 WeakPolarHBondContact O-CZ 3.41Å; L725-F729 HydrophobicContact CB-CD2 4.08Å; L725-F729 HydrophobicContact CB-CE2 4.28Å; L725-F729 WeakPolarHBondContact O-CD2 3.48Å; L725-F729 PolarHBondContact O-N 3.34Å; D726-F729 PolarHBondContact O-N 3.41Å; F729-A731 VanDerWaalsContact C-N 3.32Å; F729-A731 PolarHBondContact O-N 3.24Å; F729-R732 PolarHBondContact O-N 2.99Å; F729-V733 WeakPolarHBondContact O-CB 3.41Å; F729-V733 VanDerWaalsContact O-CG2 3.24Å; F729-V733 WeakPolarHBondContact O-CG2 3.31Å; F729-V733 PolarHBondContact O-N 2.96Å; F729-I759 HydrophobicContact CE1-CD1 4.08Å; F729-I759 HydrophobicContact CZ-CD1 4.42Å
730	A	92	Very high	92	Very high	59 Å²	59	64.9 Å²	64.9	49%	0.488	37%	0.366	S	S	.	.	H	α-helix	trans	-59.2	-43.1	174.1	0	0	0	0	0	111.5	D726 V733 A734	D726-A730 WeakPolarHBondContact O-CB 3.34Å; D726-A730 PolarHBondContact O-N 3.12Å; A730-V733 PolarHBondContact O-N 2.92Å; A730-A734 VanDerWaalsContact O-CB 3.3Å; A730-A734 WeakPolarHBondContact O-CB 3.33Å; A730-A734 PolarHBondContact O-N 3.01Å
731	A	92.9	Very high	92.3	Very high	63 Å²	63	64.4 Å²	64.4	52%	0.521	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-43.2	175	0	0	0	0	0	112.5	D727 L728 F729 A734 K735	D727-A731 WeakPolarHBondContact O-CB 3.4Å; D727-A731 PolarHBondContact O-N 3.43Å; L728-A731 PolarHBondContact O-N 2.82Å; F729-A731 VanDerWaalsContact C-N 3.32Å; F729-A731 PolarHBondContact O-N 3.24Å; A731-A734 PolarHBondContact O-N 3.45Å; A731-K735 WeakPolarHBondContact O-CB 3.36Å; A731-K735 PolarHBondContact O-N 3.19Å
732	R	94.1	Very high	92.5	Very high	99 Å²	99	62.7 Å²	62.7	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-42.3	175.6	-72.3	-170.4	177.7	-158.4	2	112	E702 L728 F729 A736 L743	E702-R732 IonicContact OE1-NH1 3.75Å; E702-R732 PolarHBondContact OE1-NH1 3.07Å; L728-R732 PolarHBondContact O-N 3.04Å; L728-R732 VanDerWaalsContact O-N 3.09Å; F729-R732 PolarHBondContact O-N 2.99Å; R732-A736 WeakPolarHBondContact O-CB 3.33Å; R732-A736 PolarHBondContact O-N 2.88Å; R732-L743 HydrophobicContact CB-CD1 3.83Å
733	V	93.1	Very high	92.7	Very high	17 Å²	17	63.1 Å²	63.1	10%	0.103	35%	0.345	C	S	.	.	H	α-helix	trans	-65.9	-43.8	177.6	170.8	0	0	0	0	110.8	L647 F729 A730 A736 R737 L743	L647-V733 HydrophobicContact CB-CG2 4.11Å; F729-V733 WeakPolarHBondContact O-CB 3.41Å; F729-V733 VanDerWaalsContact O-CG2 3.24Å; F729-V733 WeakPolarHBondContact O-CG2 3.31Å; F729-V733 PolarHBondContact O-N 2.96Å; A730-V733 PolarHBondContact O-N 2.92Å; V733-A736 PolarHBondContact O-N 3.28Å; V733-R737 VanDerWaalsContact O-CB 3.27Å; V733-R737 WeakPolarHBondContact O-CB 3.24Å; V733-R737 PolarHBondContact O-N 3.01Å; V733-L743 HydrophobicContact CG2-CD1 3.71Å; V733-L743 HydrophobicContact CG2-CG 4.42Å
734	A	91.8	Very high	92.9	Very high	41 Å²	41	60 Å²	60	34%	0.339	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-47.4	177.3	0	0	0	0	0	111.4	A730 A731 A736 R737 D738	A730-A734 VanDerWaalsContact O-CB 3.3Å; A730-A734 WeakPolarHBondContact O-CB 3.33Å; A730-A734 PolarHBondContact O-N 3.01Å; A731-A734 PolarHBondContact O-N 3.45Å; A734-A736 PolarHBondContact O-N 3.37Å; A734-R737 PolarHBondContact O-N 3.23Å; A734-D738 VanDerWaalsContact O-CG 3.31Å; A734-D738 PolarHBondContact O-N 2.96Å
735	K	94	Very high	93.1	Very high	107 Å²	107	54.2 Å²	54.2	47%	0.465	30%	0.296	S	S	.	.	H	α-helix	trans	-57.8	-48	175.5	-174.9	-164.3	167.6	-137.6	0	112	A731 R737 D738 E739 E761	A731-K735 WeakPolarHBondContact O-CB 3.36Å; A731-K735 PolarHBondContact O-N 3.19Å; K735-R737 VanDerWaalsContact C-N 3.33Å; K735-R737 PolarHBondContact O-N 3.41Å; K735-D738 PolarHBondContact O-N 3.35Å; K735-E739 PolarHBondContact O-N 2.88Å; K735-E761 IonicContact NZ-OE1 3.01Å; K735-E761 PolarHBondContact NZ-OE1 3.39Å; K735-E761 VanDerWaalsContact NZ-OE1 3.11Å
736	A	92.4	Very high	93.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-42.8	178	0	0	0	0	0	111.4	R732 V733 A734 D738 E739 G740 K741 L743 E761	R732-A736 WeakPolarHBondContact O-CB 3.33Å; R732-A736 PolarHBondContact O-N 2.88Å; V733-A736 PolarHBondContact O-N 3.28Å; A734-A736 PolarHBondContact O-N 3.37Å; A736-D738 PolarHBondContact O-N 3.43Å; A736-E739 CarbonylContact O-C 3.19Å; A736-E739 PolarHBondContact O-N 2.93Å; A736-E739 VanDerWaalsContact O-N 3.14Å; A736-G740 PolarHBondContact O-N 2.76Å; A736-K741 CarbonylContact C-O 3.6Å; A736-K741 HydrophobicContact CB-CB 4.32Å; A736-K741 CarbonylContact O-C 3.55Å; A736-K741 WeakPolarHBondContact O-CA 3.5Å; A736-K741 WeakPolarHBondContact O-CB 3.47Å; A736-K741 PolarHBondContact O-N 2.65Å; A736-K741 VanDerWaalsContact O-O 3.06Å; A736-L743 HydrophobicContact CB-CD2 3.85Å; A736-L743 HydrophobicContact CB-CG 4.2Å; A736-E761 HydrophobicContact CB-CG 4.36Å
737	R	91.5	Very high	93.4	Very high	134 Å²	134	52.3 Å²	52.3	51%	0.506	29%	0.286	S	S	.	.	H	α-helix	trans	-62.8	-40.9	178.7	-175.5	-177.5	-69.4	154.9	-2.6	112.3	D648 V733 A734 K735 E739 G740 K741	D648-R737 PolarHBondContact O-NH2 3.46Å; V733-R737 VanDerWaalsContact O-CB 3.27Å; V733-R737 WeakPolarHBondContact O-CB 3.24Å; V733-R737 PolarHBondContact O-N 3.01Å; A734-R737 PolarHBondContact O-N 3.23Å; K735-R737 VanDerWaalsContact C-N 3.33Å; K735-R737 PolarHBondContact O-N 3.41Å; R737-E739 PolarHBondContact O-N 3.1Å; R737-G740 PolarHBondContact O-N 2.81Å; R737-K741 PolarHBondContact N-O 3.02Å
738	D	91.9	Very high	93.7	Very high	143 Å²	143	46.2 Å²	46.2	77%	0.765	25%	0.253	S	S	*	.	H	α-helix	trans	-61.6	-29.3	176.1	-71.6	-16.3	0	0	0	112	A734 K735 A736 G740	A734-D738 VanDerWaalsContact O-CG 3.31Å; A734-D738 PolarHBondContact O-N 2.96Å; K735-D738 PolarHBondContact O-N 3.35Å; A736-D738 PolarHBondContact O-N 3.43Å; D738-G740 VanDerWaalsContact C-N 3.34Å
739	E	92.5	Very high	93.7	Very high	97 Å²	97	43.2 Å²	43.2	45%	0.453	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	4.1	174.4	-64.2	-177.7	-162.8	0	0	113.7	K735 A736 R737 K741	K735-E739 PolarHBondContact O-N 2.88Å; A736-E739 CarbonylContact O-C 3.19Å; A736-E739 PolarHBondContact O-N 2.93Å; A736-E739 VanDerWaalsContact O-N 3.14Å; R737-E739 PolarHBondContact O-N 3.1Å; E739-K741 VanDerWaalsContact C-N 3.3Å; E739-K741 HydrophobicContact CB-CD 4.25Å; E739-K741 HydrophobicContact CB-CG 4.27Å; E739-K741 PolarHBondContact O-N 2.84Å; E739-K741 IonicContact OE2-NZ 3.04Å; E739-K741 PolarHBondContact OE2-NZ 3.41Å
740	G	92	Very high	93.7	Very high	49 Å²	49	44.4 Å²	44.4	51%	0.505	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	23.6	-176.2	0	0	0	0	0	114.1	A736 R737 D738	A736-G740 PolarHBondContact O-N 2.76Å; R737-G740 PolarHBondContact O-N 2.81Å; D738-G740 VanDerWaalsContact C-N 3.34Å
741	K	95.2	Very high	93.4	Very high	56 Å²	56	48.2 Å²	48.2	24%	0.243	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	165	-178.6	-59.8	177.9	-171.8	157.5	0	111.7	A736 R737 E739 E761 V762 D763	A736-K741 CarbonylContact C-O 3.6Å; A736-K741 HydrophobicContact CB-CB 4.32Å; A736-K741 CarbonylContact O-C 3.55Å; A736-K741 WeakPolarHBondContact O-CA 3.5Å; A736-K741 WeakPolarHBondContact O-CB 3.47Å; A736-K741 PolarHBondContact O-N 2.65Å; A736-K741 VanDerWaalsContact O-O 3.06Å; R737-K741 PolarHBondContact N-O 3.02Å; E739-K741 VanDerWaalsContact C-N 3.3Å; E739-K741 HydrophobicContact CB-CD 4.25Å; E739-K741 HydrophobicContact CB-CG 4.27Å; E739-K741 PolarHBondContact O-N 2.84Å; E739-K741 IonicContact OE2-NZ 3.04Å; E739-K741 PolarHBondContact OE2-NZ 3.41Å; K741-E761 HydrophobicContact CB-CB 4.33Å; K741-E761 HydrophobicContact CD-CB 3.77Å; K741-E761 IonicContact NZ-OE2 2.85Å; K741-V762 CarbonylContact C-O 3.27Å; K741-V762 WeakPolarHBondContact CA-O 3.39Å; K741-V762 WeakPolarHBondContact CB-O 3.31Å; K741-D763 HydrophobicContact CG-CB 3.98Å
742	V	94.6	Very high	93.1	Very high	11 Å²	11	50.7 Å²	50.7	7%	0.067	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	154.3	173.2	-61.1	0	0	0	0	110.2	D648 R744 E761 V762 F769	D648-V742 WeakPolarHBondContact OD1-CG1 3.34Å; V742-R744 HydrophobicContact CG2-CG 4.44Å; V742-R744 VanDerWaalsContact CG2-CZ 3.48Å; V742-E761 WeakPolarHBondContact O-CA 3.49Å; V742-V762 HydrophobicContact CG2-CG2 3.5Å; V742-V762 PolarHBondContact N-O 3.46Å; V742-V762 WeakPolarHBondContact O-CG2 3.37Å; V742-V762 PolarHBondContact O-N 2.9Å; V742-F769 HydrophobicContact CB-CD2 4.49Å; V742-F769 HydrophobicContact CB-CE2 4.26Å; V742-F769 HydrophobicContact CG1-CD2 4.29Å; V742-F769 HydrophobicContact CG1-CE2 3.64Å; V742-F769 HydrophobicContact CG1-CZ 3.96Å; V742-F769 HydrophobicContact CG2-CD2 3.53Å; V742-F769 HydrophobicContact CG2-CE2 3.77Å; V742-F769 HydrophobicContact CG2-CG 4.22Å
743	L	95.1	Very high	92.6	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.8	176.9	-59.1	-178.1	0	0	0	110.3	F644 R732 V733 A736 I759 A760 E761	F644-L743 HydrophobicContact CD1-CB 3.78Å; F644-L743 HydrophobicContact CE1-CB 4.07Å; R732-L743 HydrophobicContact CB-CD1 3.83Å; V733-L743 HydrophobicContact CG2-CD1 3.71Å; V733-L743 HydrophobicContact CG2-CG 4.42Å; A736-L743 HydrophobicContact CB-CD2 3.85Å; A736-L743 HydrophobicContact CB-CG 4.2Å; L743-I759 HydrophobicContact CB-CG2 4.25Å; L743-I759 HydrophobicContact CD1-CG2 4.49Å; L743-I759 HydrophobicContact CD2-CG2 4.15Å; L743-A760 WeakPolarHBondContact CA-O 3.29Å; L743-E761 HydrophobicContact CD2-CG 3.72Å
744	R	95.2	Very high	92.6	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.5	171.4	-63.2	-64.4	178.9	-97.4	0.9	109.6	I635 D648 V742 V746 A760 V762 F769 V771	I635-R744 HydrophobicContact CD1-CB 4.23Å; I635-R744 HydrophobicContact CD1-CG 4.11Å; I635-R744 HydrophobicContact CG1-CB 4.42Å; D648-R744 IonicContact OD2-CZ 3.53Å; D648-R744 IonicContact OD2-NH1 2.82Å; D648-R744 IonicContact OD2-NH2 3.33Å; D648-R744 PolarHBondContact OD2-NH2 3.16Å; V742-R744 HydrophobicContact CG2-CG 4.44Å; V742-R744 VanDerWaalsContact CG2-CZ 3.48Å; R744-V746 HydrophobicContact CB-CG1 3.91Å; R744-A760 PolarHBondContact N-O 3.48Å; R744-A760 PolarHBondContact O-N 3.46Å; R744-V762 HydrophobicContact CB-CG2 4.23Å; R744-V762 HydrophobicContact CG-CG2 3.54Å; R744-F769 PolarHBondContact NH2-O 2.87Å; R744-V771 PolarHBondContact NE-O 2.98Å; R744-V771 VanDerWaalsContact NE-O 3.08Å
745	Y	95.2	Very high	92.8	Very high	6 Å²	6	44.9 Å²	44.9	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	115.9	171.8	-159.7	-102.2	0	0	0	109.6	L640 F644 G676 V679 E702 V704 V757 I759	L640-Y745 HydrophobicContact CD1-CD1 3.24Å; L640-Y745 HydrophobicContact CD1-CE1 3.62Å; L640-Y745 HydrophobicContact CD1-CG 3.91Å; L640-Y745 HydrophobicContact CG-CD1 4.43Å; F644-Y745 HydrophobicContact CE2-CD2 4.3Å; F644-Y745 HydrophobicContact CE2-CG 4.31Å; F644-Y745 HydrophobicContact CZ-CD2 4.31Å; G676-Y745 WeakPolarHBondContact CA-OH 3.39Å; V679-Y745 HydrophobicContact CB-CE1 4.34Å; V679-Y745 HydrophobicContact CG2-CD1 4.13Å; V679-Y745 HydrophobicContact CG2-CE1 4.18Å; E702-Y745 WeakPolarHBondContact O-CE2 3.34Å; E702-Y745 PolarHBondContact O-OH 2.81Å; V704-Y745 HydrophobicContact CG2-CD2 3.7Å; V704-Y745 HydrophobicContact CG2-CE1 4.39Å; V704-Y745 HydrophobicContact CG2-CE2 3.47Å; V704-Y745 VanDerWaalsContact CG2-CE2 3.47Å; V704-Y745 HydrophobicContact CG2-CG 4.25Å; Y745-V757 HydrophobicContact CD1-CG1 4.24Å; Y745-V757 HydrophobicContact CE1-CG1 3.35Å; Y745-V757 WeakPolarHBondContact OH-CG1 3.47Å; Y745-I759 HydrophobicContact CD2-CG1 3.64Å; Y745-I759 HydrophobicContact CE2-CG1 3.99Å
746	V	95.7	Very high	92.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.4	-167.4	-58.6	0	0	0	0	111.6	G634 I635 R744 N748 V757 K758 A760 L768	G634-V746 VanDerWaalsContact O-CA 3.32Å; G634-V746 WeakPolarHBondContact O-CA 3.45Å; I635-V746 HydrophobicContact CG1-CG1 4.09Å; R744-V746 HydrophobicContact CB-CG1 3.91Å; V746-N748 WeakPolarHBondContact CG2-OD1 3.48Å; V746-V757 WeakPolarHBondContact O-CA 3.37Å; V746-K758 PolarHBondContact N-O 3.06Å; V746-K758 PolarHBondContact O-N 3.4Å; V746-A760 HydrophobicContact CG1-CB 4.45Å; V746-A760 HydrophobicContact CG2-CB 3.48Å; V746-A760 VanDerWaalsContact CG2-CB 3.48Å; V746-L768 HydrophobicContact CG1-CD1 3.76Å
747	G	95.8	Very high	93.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.3	161.7	0	0	0	0	0	109.4	F632 S633 G634	F632-G747 WeakPolarHBondContact CE1-O 3.17Å; S633-G747 WeakPolarHBondContact CA-O 3.34Å; G634-G747 PolarHBondContact N-O 2.81Å; G634-G747 PolarHBondContact O-N 3.49Å
748	N	96.1	Very high	93.3	Very high	12 Å²	12	40 Å²	40	6%	0.064	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142	-179.4	-68.7	-14.2	0	0	0	111.1	F632 S633 V746 C755 R756	F632-N748 VanDerWaalsContact O-CA 3.27Å; F632-N748 WeakPolarHBondContact O-CA 3.38Å; S633-N748 WeakPolarHBondContact CB-OD1 3.4Å; S633-N748 PolarHBondContact OG-OD1 3.34Å; V746-N748 WeakPolarHBondContact CG2-OD1 3.48Å; N748-C755 WeakPolarHBondContact O-CA 3.3Å; N748-R756 PolarHBondContact N-O 2.65Å; N748-R756 PolarHBondContact O-N 3.35Å
749	I	94.7	Very high	93.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	110.3	159.7	-51.3	175.9	0	0	0	105.1	L629 K631 F632 L683 A687	L629-I749 HydrophobicContact CD2-CD1 4.03Å; K631-I749 CarbonylContact C-O 3.5Å; K631-I749 WeakPolarHBondContact CA-O 3.5Å; F632-I749 HydrophobicContact CB-CB 3.91Å; F632-I749 HydrophobicContact CB-CD1 4.08Å; F632-I749 HydrophobicContact CB-CG1 3.98Å; F632-I749 HydrophobicContact CD1-CD1 4.35Å; F632-I749 HydrophobicContact CD1-CG1 4.1Å; F632-I749 HydrophobicContact CG-CD1 4.44Å; F632-I749 HydrophobicContact CG-CG1 4.43Å; F632-I749 PolarHBondContact N-O 3.43Å; F632-I749 PolarHBondContact O-N 3.46Å; L683-I749 HydrophobicContact CD1-CD1 4.29Å; L683-I749 HydrophobicContact CD1-CG1 3.69Å; A687-I749 HydrophobicContact CB-CD1 4.02Å
750	D	92.3	Very high	93.5	Very high	27 Å²	27	30.1 Å²	30.1	14%	0.144	17%	0.165	C	C	.	.			trans	-79.4	166.3	179.9	-69.9	-43.1	0	0	0	111	D752 G753 A754 R756	D750-D752 VanDerWaalsContact CB-OD1 3.24Å; D750-D752 WeakPolarHBondContact CB-OD1 3.33Å; D750-D752 PolarHBondContact O-N 2.73Å; D750-G753 WeakPolarHBondContact O-CA 3.24Å; D750-G753 PolarHBondContact O-N 3.18Å; D750-A754 PolarHBondContact N-O 2.75Å; D750-R756 IonicContact OD2-CZ 3.37Å; D750-R756 IonicContact OD2-NE 3.74Å; D750-R756 IonicContact OD2-NH1 3.23Å; D750-R756 PolarHBondContact OD2-NH1 3.27Å
751	E	86.2	Confident	93.6	Very high	139 Å²	139	31.4 Å²	31.4	65%	0.65	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.5	-176.7	-66.9	177.6	178.6	0	0	113.1	M630 K631 G753	M630-E751 WeakPolarHBondContact O-CA 3.34Å; K631-E751 HydrophobicContact CB-CG 4.31Å; E751-G753 PolarHBondContact O-N 3.11Å
752	D	84.9	Confident	93.5	Very high	116 Å²	116	29 Å²	29	62%	0.62	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-10.4	172	64.1	-4.2	0	0	0	112.7	D750 A754	D750-D752 VanDerWaalsContact CB-OD1 3.24Å; D750-D752 WeakPolarHBondContact CB-OD1 3.33Å; D750-D752 PolarHBondContact O-N 2.73Å; D752-A754 VanDerWaalsContact OD1-CB 3.3Å; D752-A754 WeakPolarHBondContact OD1-CB 3.39Å; D752-A754 PolarHBondContact OD1-N 3.11Å
753	G	84.7	Confident	93.4	Very high	9 Å²	9	31.8 Å²	31.8	9%	0.093	16%	0.162	C	C	.	.			trans	91.3	-1.7	-177.4	0	0	0	0	0	116.5	D750 E751 C755	D750-G753 WeakPolarHBondContact O-CA 3.24Å; D750-G753 PolarHBondContact O-N 3.18Å; E751-G753 PolarHBondContact O-N 3.11Å; G753-C755 PolarHBondContact O-N 3.28Å
754	A	92.5	Very high	93.1	Very high	23 Å²	23	33.6 Å²	33.6	19%	0.19	18%	0.183	C	C	.	.			trans	-64.3	129.7	177.1	0	0	0	0	0	109.9	D750 D752	D750-A754 PolarHBondContact N-O 2.75Å; D752-A754 VanDerWaalsContact OD1-CB 3.3Å; D752-A754 WeakPolarHBondContact OD1-CB 3.39Å; D752-A754 PolarHBondContact OD1-N 3.11Å
755	C	95.7	Very high	92.7	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.02	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.6	176.2	-70.4	0	0	0	0	109.1	L683 L694 I699 E700 N748 G753	L683-C755 HydrophobicContact CD2-CB 3.96Å; L683-C755 HydrophobicContact CG-CB 4.41Å; L694-C755 HydrophobicContact CD1-CB 4.44Å; L694-C755 VanDerWaalsContact CD1-SG 3.56Å; I699-C755 HydrophobicContact CG1-CB 4Å; I699-C755 HydrophobicContact CG2-CB 4.43Å; E700-C755 PolarHBondContact N-O 3.38Å; N748-C755 WeakPolarHBondContact O-CA 3.3Å; G753-C755 PolarHBondContact O-N 3.28Å
756	R	96.3	Very high	92.4	Very high	65 Å²	65	42.5 Å²	42.5	25%	0.245	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.3	-175	-57.8	-174.6	171	111.1	7.2	111	E700 N748 D750	E700-R756 HydrophobicContact CB-CG 4.2Å; E700-R756 CarbonylContact O-C 3.56Å; E700-R756 WeakPolarHBondContact O-CA 3.42Å; E700-R756 WeakPolarHBondContact OE2-CD 3.36Å; E700-R756 IonicContact OE2-CZ 2.79Å; E700-R756 IonicContact OE2-NE 4Å; E700-R756 PolarHBondContact OE2-NE 3Å; E700-R756 IonicContact OE2-NH2 3.47Å; N748-R756 PolarHBondContact N-O 2.65Å; N748-R756 PolarHBondContact O-N 3.35Å; D750-R756 IonicContact OD2-CZ 3.37Å; D750-R756 IonicContact OD2-NE 3.74Å; D750-R756 IonicContact OD2-NH1 3.23Å; D750-R756 PolarHBondContact OD2-NH1 3.27Å
757	V	96.3	Very high	92.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.6	170.6	179	0	0	0	0	107.8	V679 A680 L683 I699 E700 I701 E702 Y745 V746	V679-V757 HydrophobicContact CB-CG1 3.99Å; V679-V757 HydrophobicContact CG1-CG1 3.68Å; V679-V757 HydrophobicContact CG1-CG2 4.07Å; A680-V757 HydrophobicContact CB-CG2 4.04Å; L683-V757 HydrophobicContact CD2-CG2 3.73Å; I699-V757 HydrophobicContact CG2-CG2 3.89Å; E700-V757 PolarHBondContact O-N 3.48Å; I701-V757 HydrophobicContact CG1-CB 4.45Å; I701-V757 HydrophobicContact CG2-CB 4.39Å; I701-V757 HydrophobicContact CG2-CG1 4.49Å; E702-V757 PolarHBondContact N-O 3.25Å; Y745-V757 HydrophobicContact CD1-CG1 4.24Å; Y745-V757 HydrophobicContact CE1-CG1 3.35Å; Y745-V757 WeakPolarHBondContact OH-CG1 3.47Å; V746-V757 WeakPolarHBondContact O-CA 3.37Å
758	K	95.5	Very high	91.9	Very high	72 Å²	72	44.4 Å²	44.4	31%	0.313	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	166.1	-170.6	66.8	179.1	-177.7	-175.1	0	114.6	E702 V746 A760	E702-K758 HydrophobicContact CB-CB 4.12Å; E702-K758 VanDerWaalsContact OE2-CB 3.31Å; E702-K758 WeakPolarHBondContact OE2-CB 3.35Å; V746-K758 PolarHBondContact N-O 3.06Å; V746-K758 PolarHBondContact O-N 3.4Å; K758-A760 PolarHBondContact O-N 3.14Å
759	I	95.1	Very high	91.7	Very high	19 Å²	19	46.3 Å²	46.3	10%	0.097	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	110.5	165.4	-59.4	168.1	0	0	0	107.4	F644 E702 F729 L743 Y745	F644-I759 HydrophobicContact CE1-CD1 4.42Å; F644-I759 HydrophobicContact CE1-CG1 4.15Å; F644-I759 HydrophobicContact CE1-CG2 3.85Å; F644-I759 HydrophobicContact CZ-CD1 4.06Å; F644-I759 HydrophobicContact CZ-CG1 3.82Å; F644-I759 HydrophobicContact CZ-CG2 4.38Å; E702-I759 PolarHBondContact OE2-N 3.33Å; F729-I759 HydrophobicContact CE1-CD1 4.08Å; F729-I759 HydrophobicContact CZ-CD1 4.42Å; L743-I759 HydrophobicContact CB-CG2 4.25Å; L743-I759 HydrophobicContact CD1-CG2 4.49Å; L743-I759 HydrophobicContact CD2-CG2 4.15Å; Y745-I759 HydrophobicContact CD2-CG1 3.64Å; Y745-I759 HydrophobicContact CE2-CG1 3.99Å
760	A	94.2	Very high	91.4	Very high	15 Å²	15	53.6 Å²	53.6	12%	0.124	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137.9	177.1	0	0	0	0	0	111.5	L743 R744 V746 K758 V762	L743-A760 WeakPolarHBondContact CA-O 3.29Å; R744-A760 PolarHBondContact N-O 3.48Å; R744-A760 PolarHBondContact O-N 3.46Å; V746-A760 HydrophobicContact CG1-CB 4.45Å; V746-A760 HydrophobicContact CG2-CB 3.48Å; V746-A760 VanDerWaalsContact CG2-CB 3.48Å; K758-A760 PolarHBondContact O-N 3.14Å; A760-V762 HydrophobicContact CB-CG1 4.27Å
761	E	94.5	Very high	91.2	Very high	75 Å²	75	52.3 Å²	52.3	35%	0.35	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	105.7	166.1	-61.7	171.4	179.1	0	0	107.9	K735 A736 K741 V742 L743	K735-E761 IonicContact NZ-OE1 3.01Å; K735-E761 PolarHBondContact NZ-OE1 3.39Å; K735-E761 VanDerWaalsContact NZ-OE1 3.11Å; A736-E761 HydrophobicContact CB-CG 4.36Å; K741-E761 HydrophobicContact CB-CB 4.33Å; K741-E761 HydrophobicContact CD-CB 3.77Å; K741-E761 IonicContact NZ-OE2 2.85Å; V742-E761 WeakPolarHBondContact O-CA 3.49Å; L743-E761 HydrophobicContact CD2-CG 3.72Å
762	V	93.1	Very high	91.1	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.4	-178.3	-64.8	0	0	0	0	111	K741 V742 R744 A760 D766 F769	K741-V762 CarbonylContact C-O 3.27Å; K741-V762 WeakPolarHBondContact CA-O 3.39Å; K741-V762 WeakPolarHBondContact CB-O 3.31Å; V742-V762 HydrophobicContact CG2-CG2 3.5Å; V742-V762 PolarHBondContact N-O 3.46Å; V742-V762 WeakPolarHBondContact O-CG2 3.37Å; V742-V762 PolarHBondContact O-N 2.9Å; R744-V762 HydrophobicContact CB-CG2 4.23Å; R744-V762 HydrophobicContact CG-CG2 3.54Å; A760-V762 HydrophobicContact CB-CG1 4.27Å; V762-D766 HydrophobicContact CB-CB 3.98Å; V762-D766 HydrophobicContact CG1-CB 4.45Å; V762-F769 WeakPolarHBondContact O-CD2 3.44Å
763	D	92.9	Very high	91.2	Very high	68 Å²	68	46.7 Å²	46.7	36%	0.364	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	173.7	-180	72.1	32.9	0	0	0	112.6	K741 N765 D766 F769	K741-D763 HydrophobicContact CG-CB 3.98Å; D763-N765 PolarHBondContact O-N 2.87Å; D763-N765 VanDerWaalsContact O-N 3.11Å; D763-N765 WeakPolarHBondContact OD1-CA 3.48Å; D763-N765 WeakPolarHBondContact OD1-CB 3.25Å; D763-N765 PolarHBondContact OD1-N 3.21Å; D763-D766 WeakPolarHBondContact O-CB 3.45Å; D763-D766 PolarHBondContact O-N 3.02Å; D763-D766 PolarHBondContact OD1-N 3.36Å; D763-F769 VanDerWaalsContact O-CB 3.3Å; D763-F769 WeakPolarHBondContact O-CB 3.37Å; D763-F769 WeakPolarHBondContact O-CD2 3.39Å; D763-F769 WeakPolarHBondContact O-CG 3.23Å
764	G	88.6	Confident	91.1	Very high	47 Å²	47	46.4 Å²	46.4	49%	0.485	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.9	-177.6	0	0	0	0	0	116.3
765	N	86.8	Confident	90.9	Very high	155 Å²	155	47.3 Å²	47.3	83%	0.829	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-17.1	175.4	-63	-41.6	0	0	0	112.3	D763	D763-N765 PolarHBondContact O-N 2.87Å; D763-N765 VanDerWaalsContact O-N 3.11Å; D763-N765 WeakPolarHBondContact OD1-CA 3.48Å; D763-N765 WeakPolarHBondContact OD1-CB 3.25Å; D763-N765 PolarHBondContact OD1-N 3.21Å
766	D	89.4	Confident	90.6	Very high	40 Å²	40	47.1 Å²	47.1	21%	0.214	24%	0.243	C	C	.	.	S	Bend	trans	-71.9	132.5	178.2	-166.4	-67.7	0	0	0	111	V762 D763 L768 F769	V762-D766 HydrophobicContact CB-CB 3.98Å; V762-D766 HydrophobicContact CG1-CB 4.45Å; D763-D766 WeakPolarHBondContact O-CB 3.45Å; D763-D766 PolarHBondContact O-N 3.02Å; D763-D766 PolarHBondContact OD1-N 3.36Å; D766-L768 PolarHBondContact O-N 3.45Å; D766-L768 VanDerWaalsContact O-N 3.08Å; D766-L768 WeakPolarHBondContact OD1-CB 3.24Å; D766-L768 WeakPolarHBondContact OD1-CG 3.42Å; D766-L768 PolarHBondContact OD1-N 3.42Å; D766-F769 VanDerWaalsContact O-CB 3.26Å; D766-F769 WeakPolarHBondContact O-CB 3.27Å; D766-F769 PolarHBondContact O-N 2.82Å
767	P	88	Confident	90.5	Very high	39 Å²	39	44 Å²	44	25%	0.253	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22	179.4	24.2	-34.8	0	0	0	113.8	A779 P789 V791	P767-A779 HydrophobicContact CG-CB 3.77Å; P767-P789 HydrophobicContact CG-CG 4.23Å; P767-V791 HydrophobicContact CB-CG1 4.5Å; P767-V791 HydrophobicContact CB-CG2 3.83Å; P767-V791 HydrophobicContact CG-CG2 4.38Å
768	L	92.2	Very high	90.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-12.5	-179.7	-53.9	-178.9	0	0	0	113.3	S633 I635 V746 D766 K770 V771 A777	S633-L768 WeakPolarHBondContact OG-CD1 3.45Å; I635-L768 HydrophobicContact CD1-CB 4.02Å; I635-L768 HydrophobicContact CD1-CD2 4.35Å; I635-L768 HydrophobicContact CG1-CD1 4.39Å; I635-L768 HydrophobicContact CG1-CD2 4.38Å; V746-L768 HydrophobicContact CG1-CD1 3.76Å; D766-L768 PolarHBondContact O-N 3.45Å; D766-L768 VanDerWaalsContact O-N 3.08Å; D766-L768 WeakPolarHBondContact OD1-CB 3.24Å; D766-L768 WeakPolarHBondContact OD1-CG 3.42Å; D766-L768 PolarHBondContact OD1-N 3.42Å; L768-K770 VanDerWaalsContact C-N 3.34Å; L768-K770 PolarHBondContact O-N 3.02Å; L768-V771 WeakPolarHBondContact O-CB 3.33Å; L768-V771 PolarHBondContact O-N 3.07Å; L768-V771 VanDerWaalsContact O-N 3.16Å; L768-A777 HydrophobicContact CD2-CB 3.63Å
769	F	91.4	Very high	90.3	Very high	53 Å²	53	40.6 Å²	40.6	23%	0.232	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-46.2	-176.5	-175	-94.7	0	0	0	112.9	V742 R744 V762 D763 D766 V771	V742-F769 HydrophobicContact CB-CD2 4.49Å; V742-F769 HydrophobicContact CB-CE2 4.26Å; V742-F769 HydrophobicContact CG1-CD2 4.29Å; V742-F769 HydrophobicContact CG1-CE2 3.64Å; V742-F769 HydrophobicContact CG1-CZ 3.96Å; V742-F769 HydrophobicContact CG2-CD2 3.53Å; V742-F769 HydrophobicContact CG2-CE2 3.77Å; V742-F769 HydrophobicContact CG2-CG 4.22Å; R744-F769 PolarHBondContact NH2-O 2.87Å; V762-F769 WeakPolarHBondContact O-CD2 3.44Å; D763-F769 VanDerWaalsContact O-CB 3.3Å; D763-F769 WeakPolarHBondContact O-CB 3.37Å; D763-F769 WeakPolarHBondContact O-CD2 3.39Å; D763-F769 WeakPolarHBondContact O-CG 3.23Å; D766-F769 VanDerWaalsContact O-CB 3.26Å; D766-F769 WeakPolarHBondContact O-CB 3.27Å; D766-F769 PolarHBondContact O-N 2.82Å; F769-V771 VanDerWaalsContact C-N 3.32Å; F769-V771 PolarHBondContact O-N 2.96Å
770	K	89	Confident	90.3	Very high	153 Å²	153	39.9 Å²	39.9	67%	0.665	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	4.1	-175.6	-63	-174.2	-179.6	175.5	0	114.3	L768 R793	L768-K770 VanDerWaalsContact C-N 3.34Å; L768-K770 PolarHBondContact O-N 3.02Å; K770-R793 PolarHBondContact O-NH2 2.75Å
771	V	87.3	Confident	90.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.			trans	-86.2	123.2	-176.1	-177	0	0	0	0	108.5	I635 R744 L768 F769 E775 A777	I635-V771 HydrophobicContact CD1-CB 3.62Å; I635-V771 HydrophobicContact CD1-CG1 3.65Å; I635-V771 HydrophobicContact CD1-CG2 4.37Å; R744-V771 PolarHBondContact NE-O 2.98Å; R744-V771 VanDerWaalsContact NE-O 3.08Å; L768-V771 WeakPolarHBondContact O-CB 3.33Å; L768-V771 PolarHBondContact O-N 3.07Å; L768-V771 VanDerWaalsContact O-N 3.16Å; F769-V771 VanDerWaalsContact C-N 3.32Å; F769-V771 PolarHBondContact O-N 2.96Å; V771-E775 HydrophobicContact CG1-CB 3.96Å; V771-A777 HydrophobicContact CB-CB 4.21Å; V771-A777 HydrophobicContact CG1-CB 3.83Å; V771-A777 HydrophobicContact CG2-CB 3.42Å; V771-A777 VanDerWaalsContact CG2-CB 3.42Å
772	K	84.9	Confident	90.3	Very high	73 Å²	73	37.6 Å²	37.6	32%	0.317	20%	0.198	S	C	.	.			trans	-156.7	-178.2	-177.5	60.7	177.9	-173.9	167.5	0	110.8	E649 G774 E775	E649-K772 IonicContact OE1-NZ 3.58Å; E649-K772 PolarHBondContact OE1-NZ 2.91Å; K772-G774 VanDerWaalsContact C-N 3.34Å; K772-G774 PolarHBondContact O-N 3.44Å; K772-E775 WeakPolarHBondContact O-CG 3.2Å; K772-E775 PolarHBondContact O-N 3.37Å
773	N	86.2	Confident	90.3	Very high	63 Å²	63	43 Å²	43	34%	0.337	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	34.1	174.6	-60.6	-32	0	0	0	114.9	E775	N773-E775 VanDerWaalsContact C-N 3.35Å
774	G	83.3	Confident	90.2	Very high	4 Å²	4	46.6 Å²	46.6	4%	0.041	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	11.1	175.6	0	0	0	0	0	115.1	G638 K772	G638-G774 WeakPolarHBondContact O-CA 3.48Å; K772-G774 VanDerWaalsContact C-N 3.34Å; K772-G774 PolarHBondContact O-N 3.44Å
775	E	88.7	Confident	90.3	Very high	41 Å²	41	48.8 Å²	48.8	19%	0.192	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	144.7	173.7	-65.8	173.5	-168.9	0	0	111.4	S641 V771 K772 N773 R793 G794	S641-E775 VanDerWaalsContact CB-O 3.29Å; S641-E775 WeakPolarHBondContact CB-O 3.46Å; S641-E775 PolarHBondContact OG-N 3.5Å; S641-E775 PolarHBondContact OG-O 3.17Å; V771-E775 HydrophobicContact CG1-CB 3.96Å; K772-E775 WeakPolarHBondContact O-CG 3.2Å; K772-E775 PolarHBondContact O-N 3.37Å; N773-E775 VanDerWaalsContact C-N 3.35Å; E775-R793 IonicContact OE1-NH2 3.34Å; E775-R793 IonicContact OE2-CZ 3.47Å; E775-R793 IonicContact OE2-NE 3.71Å; E775-R793 PolarHBondContact OE2-NE 3.1Å; E775-R793 IonicContact OE2-NH2 2.75Å; E775-R793 PolarHBondContact OE2-NH2 2.66Å; E775-G794 WeakPolarHBondContact CA-O 3.48Å
776	N	89.8	Confident	90.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	146.4	163.1	-78.6	2.3	0	0	0	109.8	L613 I635 L636 L778 R793 G794 G796	L613-N776 HydrophobicContact CD1-CB 4.43Å; I635-N776 VanDerWaalsContact O-CA 3.3Å; I635-N776 WeakPolarHBondContact O-CA 3.39Å; I635-N776 WeakPolarHBondContact O-CB 3.33Å; I635-N776 PolarHBondContact O-OD1 3.28Å; L636-N776 PolarHBondContact O-ND2 2.85Å; N776-L778 HydrophobicContact CB-CD1 4.27Å; N776-R793 WeakPolarHBondContact O-CA 3.43Å; N776-G794 PolarHBondContact N-O 2.99Å; N776-G794 PolarHBondContact O-N 3.42Å; N776-G794 VanDerWaalsContact O-N 3.11Å; N776-G796 WeakPolarHBondContact ND2-CA 3.46Å
777	A	93.1	Very high	90.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	133.1	173.1	0	0	0	0	0	109.7	G634 I635 L768 V771 L792 R793	G634-A777 CarbonylContact C-O 3.42Å; G634-A777 WeakPolarHBondContact CA-O 3.23Å; I635-A777 PolarHBondContact N-O 2.73Å; I635-A777 PolarHBondContact O-N 3.12Å; I635-A777 VanDerWaalsContact O-N 3.14Å; L768-A777 HydrophobicContact CD2-CB 3.63Å; V771-A777 HydrophobicContact CB-CB 4.21Å; V771-A777 HydrophobicContact CG1-CB 3.83Å; V771-A777 HydrophobicContact CG2-CB 3.42Å; V771-A777 VanDerWaalsContact CG2-CB 3.42Å; A777-L792 CarbonylContact C-O 3.31Å; A777-L792 WeakPolarHBondContact CA-O 3.14Å; A777-R793 HydrophobicContact CB-CG 4.45Å
778	L	94.3	Very high	90.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	114.4	-173.5	-66.6	95.7	0	0	0	108.3	V609 L613 V615 F632 L636 L686 N776 F780 V791 L792	V609-L778 HydrophobicContact CG1-CD2 3.8Å; L613-L778 HydrophobicContact CD1-CD1 4.31Å; V615-L778 HydrophobicContact CB-CD2 4.37Å; V615-L778 HydrophobicContact CG1-CD2 3.53Å; V615-L778 HydrophobicContact CG2-CD1 4.09Å; V615-L778 HydrophobicContact CG2-CD2 3.85Å; F632-L778 HydrophobicContact CE2-CB 3.95Å; F632-L778 HydrophobicContact CE2-CD2 4.12Å; F632-L778 HydrophobicContact CE2-CG 4.35Å; F632-L778 HydrophobicContact CZ-CB 4.34Å; F632-L778 HydrophobicContact CZ-CD2 4.02Å; F632-L778 HydrophobicContact CZ-CG 4.27Å; L636-L778 HydrophobicContact CD2-CD1 4.5Å; L636-L778 HydrophobicContact CD2-CD2 3.66Å; L636-L778 HydrophobicContact CD2-CG 3.88Å; L686-L778 HydrophobicContact CD1-CD2 4.27Å; N776-L778 HydrophobicContact CB-CD1 4.27Å; L778-F780 HydrophobicContact CB-CD2 4.47Å; L778-F780 HydrophobicContact CB-CE2 3.72Å; L778-F780 HydrophobicContact CB-CZ 4.27Å; L778-F780 HydrophobicContact CD2-CE2 4.39Å; L778-F780 HydrophobicContact CD2-CZ 4.19Å; L778-V791 WeakPolarHBondContact O-CA 3.16Å; L778-L792 HydrophobicContact CB-CB 4.44Å; L778-L792 PolarHBondContact N-O 2.91Å; L778-L792 PolarHBondContact O-N 3.01Å
779	A	94.6	Very high	90.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112.1	179.1	0	0	0	0	0	109.9	F632 S633 P767 Y781 P789 L790 V791	F632-A779 WeakPolarHBondContact CA-O 3.29Å; F632-A779 WeakPolarHBondContact CD2-O 3.36Å; S633-A779 PolarHBondContact N-O 3.28Å; S633-A779 VanDerWaalsContact N-O 3.08Å; S633-A779 WeakPolarHBondContact O-CB 3.43Å; S633-A779 PolarHBondContact O-N 3.25Å; P767-A779 HydrophobicContact CG-CB 3.77Å; A779-Y781 HydrophobicContact CB-CE2 3.99Å; A779-P789 HydrophobicContact CB-CB 4.22Å; A779-P789 HydrophobicContact CB-CG 4.24Å; A779-L790 WeakPolarHBondContact CA-O 3.3Å; A779-V791 HydrophobicContact CB-CG2 4.3Å
780	F	94.5	Very high	90.3	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.5	176.6	-61.4	-89.6	0	0	0	109.3	V615 L619 L629 F632 L686 L778 P789 L790 L792	V615-F780 HydrophobicContact CG1-CE2 4.43Å; V615-F780 HydrophobicContact CG1-CZ 3.86Å; L619-F780 HydrophobicContact CD1-CD1 4.07Å; L619-F780 HydrophobicContact CD1-CE1 4.04Å; L619-F780 HydrophobicContact CD2-CE1 4.22Å; L619-F780 HydrophobicContact CG-CE1 4.5Å; L629-F780 HydrophobicContact CD1-CB 4.2Å; L629-F780 HydrophobicContact CD1-CD1 3.93Å; F632-F780 AromaticContact CD2-CD1 3.65Å; F632-F780 HydrophobicContact CD2-CD1 3.65Å; F632-F780 AromaticContact CD2-CE1 3.58Å; F632-F780 HydrophobicContact CD2-CE1 3.58Å; F632-F780 HydrophobicContact CD2-CG 4.17Å; F632-F780 HydrophobicContact CD2-CZ 4.05Å; F632-F780 HydrophobicContact CE2-CD1 4.15Å; F632-F780 AromaticContact CE2-CE1 3.71Å; F632-F780 HydrophobicContact CE2-CE1 3.71Å; F632-F780 HydrophobicContact CE2-CE2 4.15Å; F632-F780 AromaticContact CE2-CZ 3.71Å; F632-F780 HydrophobicContact CE2-CZ 3.71Å; L686-F780 HydrophobicContact CD2-CE1 4.31Å; L686-F780 HydrophobicContact CD2-CZ 4.26Å; L778-F780 HydrophobicContact CB-CD2 4.47Å; L778-F780 HydrophobicContact CB-CE2 3.72Å; L778-F780 HydrophobicContact CB-CZ 4.27Å; L778-F780 HydrophobicContact CD2-CE2 4.39Å; L778-F780 HydrophobicContact CD2-CZ 4.19Å; F780-P789 CarbonylContact O-C 3.56Å; F780-P789 VanDerWaalsContact O-CA 3.3Å; F780-P789 WeakPolarHBondContact O-CA 3.36Å; F780-P789 VanDerWaalsContact O-CB 3.27Å; F780-P789 WeakPolarHBondContact O-CB 3.3Å; F780-L790 HydrophobicContact CB-CB 4.36Å; F780-L790 PolarHBondContact N-O 2.81Å; F780-L790 PolarHBondContact O-N 3.47Å; F780-L792 HydrophobicContact CE2-CD1 4.19Å
781	Y	94.4	Very high	90.5	Very high	40 Å²	40	51 Å²	51	16%	0.157	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	105.1	170.2	-59.9	-99.4	0	0	0	107.2	M630 K631 A779 P789	M630-Y781 WeakPolarHBondContact CA-O 3.3Å; M630-Y781 WeakPolarHBondContact CB-O 3.16Å; M630-Y781 PolarHBondContact N-O 3.37Å; K631-Y781 HydrophobicContact CB-CD2 4.39Å; K631-Y781 HydrophobicContact CB-CG 4.44Å; K631-Y781 HydrophobicContact CD-CD2 4.47Å; K631-Y781 HydrophobicContact CG-CD2 4.26Å; K631-Y781 PolarHBondContact N-O 3.12Å; K631-Y781 WeakPolarHBondContact O-CA 3.43Å; K631-Y781 WeakPolarHBondContact O-CB 3.32Å; K631-Y781 PolarHBondContact O-N 3.4Å; K631-Y781 VanDerWaalsContact O-O 3.1Å; A779-Y781 HydrophobicContact CB-CE2 3.99Å; Y781-P789 HydrophobicContact CD1-CB 3.74Å; Y781-P789 HydrophobicContact CD1-CG 4.19Å; Y781-P789 HydrophobicContact CD2-CB 3.97Å; Y781-P789 HydrophobicContact CE1-CB 3.69Å; Y781-P789 HydrophobicContact CE1-CG 3.61Å; Y781-P789 HydrophobicContact CE2-CB 3.92Å; Y781-P789 HydrophobicContact CE2-CG 4.12Å; Y781-P789 HydrophobicContact CG-CB 3.88Å
782	S	93.3	Very high	90.8	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	174.5	179.8	69.1	0	0	0	0	110.9	D627 E628 Y784 Y785 Q786	D627-S782 VanDerWaalsContact CG-CB 3.47Å; D627-S782 VanDerWaalsContact OD1-CB 3.26Å; D627-S782 WeakPolarHBondContact OD1-CB 3.26Å; D627-S782 PolarHBondContact OD1-OG 3.43Å; D627-S782 WeakPolarHBondContact OD2-CB 3.41Å; D627-S782 PolarHBondContact OD2-OG 2.66Å; E628-S782 CarbonylContact O-C 3.42Å; E628-S782 WeakPolarHBondContact O-CA 3.43Å; E628-S782 VanDerWaalsContact O-CB 3.26Å; E628-S782 WeakPolarHBondContact O-CB 3.49Å; S782-Y784 PolarHBondContact O-N 3.3Å; S782-Y785 CarbonylContact O-C 3.54Å; S782-Y785 PolarHBondContact O-N 3.01Å; S782-Y785 WeakPolarHBondContact OG-CD2 3.44Å; S782-Y785 PolarHBondContact OG-N 3.46Å; S782-Q786 WeakPolarHBondContact O-CG 3.45Å
783	H	92.7	Very high	91.1	Very high	120 Å²	120	54.3 Å²	54.3	56%	0.556	26%	0.264	S	S	*	.	S	Bend	trans	-53.6	-39.5	176.4	-173.8	69.9	0	0	0	112.3	D627 E628	D627-H783 WeakPolarHBondContact OD1-CB 3.39Å; D627-H783 PolarHBondContact OD1-N 3.07Å; D627-H783 VanDerWaalsContact OD1-N 3.09Å; E628-H783 HydrophobicContact CB-CB 4.45Å; E628-H783 PolarHBondContact O-N 2.92Å
784	Y	92.4	Very high	91.2	Very high	143 Å²	143	52.2 Å²	52.2	56%	0.561	26%	0.257	S	S	*	.	S	Bend	trans	-87.3	-24.1	178.1	-60.8	-37.1	0	0	0	114.9	D627 S782 Q786	D627-Y784 HydrophobicContact CB-CD2 3.6Å; D627-Y784 HydrophobicContact CB-CE2 3.89Å; D627-Y784 PolarHBondContact OD1-N 3.11Å; S782-Y784 PolarHBondContact O-N 3.3Å; Y784-Q786 PolarHBondContact O-N 3.09Å
785	Y	90.9	Very high	91	Very high	93 Å²	93	59.5 Å²	59.5	37%	0.365	29%	0.285	S	S	.	.	S	Bend	trans	-102.7	66.3	178.8	-71.7	-88.5	0	0	0	111.3	L622 S782 L788 L790	L622-Y785 HydrophobicContact CD2-CD2 4.24Å; L622-Y785 HydrophobicContact CD2-CE2 3.57Å; S782-Y785 CarbonylContact O-C 3.54Å; S782-Y785 PolarHBondContact O-N 3.01Å; S782-Y785 WeakPolarHBondContact OG-CD2 3.44Å; S782-Y785 PolarHBondContact OG-N 3.46Å; Y785-L788 CarbonylContact C-O 3.44Å; Y785-L788 VanDerWaalsContact O-O 3.07Å; Y785-L790 HydrophobicContact CD1-CB 3.86Å; Y785-L790 HydrophobicContact CD2-CB 4.31Å; Y785-L790 HydrophobicContact CE1-CB 4.13Å; Y785-L790 HydrophobicContact CE1-CD1 4.28Å; Y785-L790 HydrophobicContact CG-CB 3.94Å
786	Q	86	Confident	90.1	Very high	103 Å²	103	58 Å²	58	48%	0.481	28%	0.279	S	S	.	.			trans	-139.1	146.6	170.1	-77.9	-168.9	17.1	0	0	112.3	S782 Y784 L788	S782-Q786 WeakPolarHBondContact O-CG 3.45Å; Y784-Q786 PolarHBondContact O-N 3.09Å; Q786-L788 VanDerWaalsContact C-N 3.32Å
787	P	85.7	Confident	89.3	Confident	121 Å²	121	60.4 Å²	60.4	79%	0.786	30%	0.3	S	S	*	.	S	Bend	cis	-77.8	-10.2	0.1	32.8	-35.9	0	0	0	113.9
788	L	89.9	Confident	88.7	Confident	143 Å²	143	62.3 Å²	62.3	75%	0.749	32%	0.32	S	S	*	.	S	Bend	trans	-90.3	123.6	178.6	-69.1	169.2	0	0	0	110.7	Y785 Q786	Y785-L788 CarbonylContact C-O 3.44Å; Y785-L788 VanDerWaalsContact O-O 3.07Å; Q786-L788 VanDerWaalsContact C-N 3.32Å
789	P	93.1	Very high	88.5	Confident	23 Å²	23	66.4 Å²	66.4	15%	0.149	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-73.8	158.8	-179.9	30.7	-35.2	0	0	0	112.3	P767 A779 F780 Y781 V791	P767-P789 HydrophobicContact CG-CG 4.23Å; A779-P789 HydrophobicContact CB-CB 4.22Å; A779-P789 HydrophobicContact CB-CG 4.24Å; F780-P789 CarbonylContact O-C 3.56Å; F780-P789 VanDerWaalsContact O-CA 3.3Å; F780-P789 WeakPolarHBondContact O-CA 3.36Å; F780-P789 VanDerWaalsContact O-CB 3.27Å; F780-P789 WeakPolarHBondContact O-CB 3.3Å; Y781-P789 HydrophobicContact CD1-CB 3.74Å; Y781-P789 HydrophobicContact CD1-CG 4.19Å; Y781-P789 HydrophobicContact CD2-CB 3.97Å; Y781-P789 HydrophobicContact CE1-CB 3.69Å; Y781-P789 HydrophobicContact CE1-CG 3.61Å; Y781-P789 HydrophobicContact CE2-CB 3.92Å; Y781-P789 HydrophobicContact CE2-CG 4.12Å; Y781-P789 HydrophobicContact CG-CB 3.88Å; P789-V791 HydrophobicContact CB-CG2 4.47Å; P789-V791 HydrophobicContact CG-CG2 3.91Å; P789-V791 PolarHBondContact O-N 3.22Å
790	L	93.2	Very high	88.3	Confident	38 Å²	38	71.5 Å²	71.5	20%	0.199	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	119.5	161.1	175.5	67.1	0	0	0	108.6	L622 A779 F780 Y785	L622-L790 HydrophobicContact CD1-CD2 3.79Å; A779-L790 WeakPolarHBondContact CA-O 3.3Å; F780-L790 HydrophobicContact CB-CB 4.36Å; F780-L790 PolarHBondContact N-O 2.81Å; F780-L790 PolarHBondContact O-N 3.47Å; Y785-L790 HydrophobicContact CD1-CB 3.86Å; Y785-L790 HydrophobicContact CD2-CB 4.31Å; Y785-L790 HydrophobicContact CE1-CB 4.13Å; Y785-L790 HydrophobicContact CE1-CD1 4.28Å; Y785-L790 HydrophobicContact CG-CB 3.94Å
791	V	93.2	Very high	88.1	Confident	60 Å²	60	73.8 Å²	73.8	36%	0.364	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.8	-179.7	-176	0	0	0	0	110.6	P767 L778 A779 P789	P767-V791 HydrophobicContact CB-CG1 4.5Å; P767-V791 HydrophobicContact CB-CG2 3.83Å; P767-V791 HydrophobicContact CG-CG2 4.38Å; L778-V791 WeakPolarHBondContact O-CA 3.16Å; A779-V791 HydrophobicContact CB-CG2 4.3Å; P789-V791 HydrophobicContact CB-CG2 4.47Å; P789-V791 HydrophobicContact CG-CG2 3.91Å; P789-V791 PolarHBondContact O-N 3.22Å
792	L	92.6	Very high	87.9	Confident	24 Å²	24	72.7 Å²	72.7	13%	0.126	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.9	169.1	-59.7	178.5	0	0	0	109	V615 N618 A777 L778 F780	V615-L792 HydrophobicContact CG2-CD1 4.27Å; N618-L792 HydrophobicContact CB-CD1 4.31Å; A777-L792 CarbonylContact C-O 3.31Å; A777-L792 WeakPolarHBondContact CA-O 3.14Å; L778-L792 HydrophobicContact CB-CB 4.44Å; L778-L792 PolarHBondContact N-O 2.91Å; L778-L792 PolarHBondContact O-N 3.01Å; F780-L792 HydrophobicContact CE2-CD1 4.19Å
793	R	90.4	Very high	88	Confident	117 Å²	117	72.6 Å²	72.6	44%	0.442	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.7	-176.7	-177.7	-179.8	176.3	172.4	3.8	111	K770 E775 N776 A777	K770-R793 PolarHBondContact O-NH2 2.75Å; E775-R793 IonicContact OE1-NH2 3.34Å; E775-R793 IonicContact OE2-CZ 3.47Å; E775-R793 IonicContact OE2-NE 3.71Å; E775-R793 PolarHBondContact OE2-NE 3.1Å; E775-R793 IonicContact OE2-NH2 2.75Å; E775-R793 PolarHBondContact OE2-NH2 2.66Å; N776-R793 WeakPolarHBondContact O-CA 3.43Å; A777-R793 HydrophobicContact CB-CG 4.45Å
794	G	88.4	Confident	88	Confident	19 Å²	19	69 Å²	69	20%	0.196	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.2	-168.8	173.7	0	0	0	0	0	112.3	E775 N776 G796	E775-G794 WeakPolarHBondContact CA-O 3.48Å; N776-G794 PolarHBondContact N-O 2.99Å; N776-G794 PolarHBondContact O-N 3.42Å; N776-G794 VanDerWaalsContact O-N 3.11Å; G794-G796 PolarHBondContact O-N 2.82Å
795	Y	79.2	Confident	88.1	Confident	158 Å²	158	62.5 Å²	62.5	62%	0.62	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	123.2	179.3	-68.5	-70.4	0	0	0	111.2
796	G	71.2	Confident	88.3	Confident	8 Å²	8	58 Å²	58	8%	0.082	33%	0.33	C	S	.	.			trans	-87.6	-7.7	-178	0	0	0	0	0	115.7	N776 G794	N776-G796 WeakPolarHBondContact ND2-CA 3.46Å; G794-G796 PolarHBondContact O-N 2.82Å
797	A	72.1	Confident	88.8	Confident	52 Å²	52	54 Å²	54	43%	0.43	31%	0.31	S	S	.	.			trans	-147.4	161.7	-175.5	0	0	0	0	0	110
798	G	81.8	Confident	89.2	Confident	40 Å²	40	50.6 Å²	50.6	41%	0.412	29%	0.293	S	S	.	.			trans	126.1	129	178.9	0	0	0	0	0	112.1	D800 V801 T802	G798-D800 VanDerWaalsContact C-N 3.3Å; G798-D800 PolarHBondContact O-N 3.42Å; G798-V801 PolarHBondContact O-N 3Å; G798-T802 PolarHBondContact O-N 2.95Å; G798-T802 PolarHBondContact O-OG1 2.81Å
799	N	88.3	Confident	89.4	Confident	85 Å²	85	43.9 Å²	43.9	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-57.2	-42.4	-176.3	-69.9	-32	0	0	0	112.4	G475 A479 A803	G475-N799 VanDerWaalsContact C-CG 3.44Å; G475-N799 WeakPolarHBondContact CA-ND2 3.43Å; A479-N799 HydrophobicContact CB-CB 4.23Å; N799-A803 WeakPolarHBondContact O-CB 3.42Å; N799-A803 PolarHBondContact O-N 3.02Å
800	D	90.8	Very high	89.5	Confident	108 Å²	108	42.8 Å²	42.8	58%	0.578	25%	0.25	S	S	*	.	H	α-helix	trans	-68.3	-38.7	-179.1	-69.3	-43	0	0	0	113.1	Q483 G798 A803 A804	Q483-D800 PolarHBondContact NE2-O 3.01Å; G798-D800 VanDerWaalsContact C-N 3.3Å; G798-D800 PolarHBondContact O-N 3.42Å; D800-A803 PolarHBondContact O-N 3.17Å; D800-A804 WeakPolarHBondContact O-CB 3.25Å; D800-A804 PolarHBondContact O-N 2.6Å
801	V	90	Very high	89.5	Confident	51 Å²	51	43 Å²	43	31%	0.309	25%	0.252	S	S	.	.	H	α-helix	trans	-70.9	-44.5	-178.7	-179.5	0	0	0	0	110.1	A611 G612 G798 A804 G805	A611-V801 HydrophobicContact CB-CG1 4.49Å; G612-V801 WeakPolarHBondContact CA-O 3.26Å; G798-V801 PolarHBondContact O-N 3Å; V801-A804 PolarHBondContact O-N 3.42Å; V801-G805 PolarHBondContact O-N 3.26Å; V801-G805 VanDerWaalsContact O-N 3.11Å
802	T	91.8	Very high	89.4	Confident	18 Å²	18	42.5 Å²	42.5	11%	0.11	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-44.8	173.2	-52.8	0	0	0	0	111.1	V476 P577 A611 G798 A804 G805 V806	V476-T802 HydrophobicContact CG1-CG2 3.78Å; V476-T802 HydrophobicContact CG2-CG2 4.01Å; P577-T802 HydrophobicContact CB-CG2 3.83Å; A611-T802 WeakPolarHBondContact CB-OG1 3.45Å; G798-T802 PolarHBondContact O-N 2.95Å; G798-T802 PolarHBondContact O-OG1 2.81Å; T802-A804 VanDerWaalsContact C-N 3.28Å; T802-A804 PolarHBondContact O-N 3.31Å; T802-G805 PolarHBondContact O-N 3.04Å; T802-G805 VanDerWaalsContact O-N 3.16Å; T802-V806 WeakPolarHBondContact O-CG2 3.27Å; T802-V806 PolarHBondContact O-N 3.07Å
803	A	94.2	Very high	89.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-37.1	177.2	0	0	0	0	0	112.4	V476 A479 L480 N799 D800 V806 F807	V476-A803 HydrophobicContact CG1-CB 4.35Å; A479-A803 HydrophobicContact CB-CB 3.78Å; L480-A803 HydrophobicContact CB-CB 4.04Å; N799-A803 WeakPolarHBondContact O-CB 3.42Å; N799-A803 PolarHBondContact O-N 3.02Å; D800-A803 PolarHBondContact O-N 3.17Å; A803-V806 PolarHBondContact O-N 2.97Å; A803-F807 WeakPolarHBondContact O-CB 3.41Å; A803-F807 PolarHBondContact O-N 2.84Å
804	A	93.7	Very high	89	Confident	45 Å²	45	36.9 Å²	36.9	37%	0.372	22%	0.222	S	C	.	.	H	α-helix	trans	-65.3	-40.4	175.2	0	0	0	0	0	112	Q483 D800 V801 T802 F807 A808	Q483-A804 VanDerWaalsContact OE1-CA 3.24Å; D800-A804 WeakPolarHBondContact O-CB 3.25Å; D800-A804 PolarHBondContact O-N 2.6Å; V801-A804 PolarHBondContact O-N 3.42Å; T802-A804 VanDerWaalsContact C-N 3.28Å; T802-A804 PolarHBondContact O-N 3.31Å; A804-F807 PolarHBondContact O-N 3.3Å; A804-A808 PolarHBondContact O-N 3.17Å
805	G	93.4	Very high	87.9	Confident	6 Å²	6	40.3 Å²	40.3	6%	0.062	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-43.1	172.7	0	0	0	0	0	112.4	V801 T802 F807 A808 D809	V801-G805 PolarHBondContact O-N 3.26Å; V801-G805 VanDerWaalsContact O-N 3.11Å; T802-G805 PolarHBondContact O-N 3.04Å; T802-G805 VanDerWaalsContact O-N 3.16Å; G805-F807 VanDerWaalsContact C-N 3.31Å; G805-F807 PolarHBondContact O-N 2.82Å; G805-A808 WeakPolarHBondContact O-CB 3.39Å; G805-A808 PolarHBondContact O-N 3.41Å; G805-D809 PolarHBondContact O-N 3.19Å
806	V	96.1	Very high	87.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-39.7	175.1	172.4	0	0	0	0	111.2	L480 V552 V575 P577 T607 T802 A803 D809 L810	L480-V806 HydrophobicContact CD1-CB 4.43Å; L480-V806 HydrophobicContact CD1-CG1 4.1Å; L480-V806 HydrophobicContact CD2-CG1 3.74Å; V552-V806 HydrophobicContact CG1-CG1 3.48Å; V552-V806 VanDerWaalsContact CG1-CG1 3.48Å; V575-V806 HydrophobicContact CG1-CG1 3.9Å; P577-V806 HydrophobicContact CB-CG2 4.43Å; P577-V806 HydrophobicContact CG-CG2 4.18Å; T607-V806 HydrophobicContact CG2-CG2 3.82Å; T607-V806 VanDerWaalsContact CG2-N 3.34Å; T802-V806 WeakPolarHBondContact O-CG2 3.27Å; T802-V806 PolarHBondContact O-N 3.07Å; A803-V806 PolarHBondContact O-N 2.97Å; V806-D809 PolarHBondContact O-N 3.22Å; V806-L810 WeakPolarHBondContact O-CG 3.35Å; V806-L810 PolarHBondContact O-N 2.98Å
807	F	95.7	Very high	86.3	Confident	17 Å²	17	47.8 Å²	47.8	8%	0.075	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-41.9	174.8	-168	172.9	0	0	0	111.4	L480 Q483 L484 Q487 L491 L498 A803 A804 G805 D809 L810 L811	L480-F807 HydrophobicContact CD1-CB 3.93Å; Q483-F807 HydrophobicContact CB-CD1 4.1Å; Q483-F807 HydrophobicContact CB-CE1 4.46Å; L484-F807 HydrophobicContact CD2-CD1 4.05Å; L484-F807 HydrophobicContact CD2-CD2 3.81Å; L484-F807 HydrophobicContact CD2-CE1 3.84Å; L484-F807 HydrophobicContact CD2-CE2 3.67Å; L484-F807 HydrophobicContact CD2-CG 4.06Å; L484-F807 HydrophobicContact CD2-CZ 3.7Å; Q487-F807 HydrophobicContact CB-CE1 3.78Å; Q487-F807 HydrophobicContact CB-CZ 3.81Å; Q487-F807 HydrophobicContact CG-CE1 3.68Å; Q487-F807 HydrophobicContact CG-CZ 4.14Å; L491-F807 HydrophobicContact CD1-CE2 4.46Å; L491-F807 HydrophobicContact CD1-CZ 4.07Å; L491-F807 HydrophobicContact CD2-CE2 4.36Å; L491-F807 HydrophobicContact CD2-CZ 4.37Å; L498-F807 HydrophobicContact CD1-CD2 4.5Å; L498-F807 HydrophobicContact CD1-CE2 3.94Å; A803-F807 WeakPolarHBondContact O-CB 3.41Å; A803-F807 PolarHBondContact O-N 2.84Å; A804-F807 PolarHBondContact O-N 3.3Å; G805-F807 VanDerWaalsContact C-N 3.31Å; G805-F807 PolarHBondContact O-N 2.82Å; F807-D809 VanDerWaalsContact C-N 3.27Å; F807-D809 PolarHBondContact O-N 2.97Å; F807-L810 WeakPolarHBondContact O-CB 3.45Å; F807-L810 PolarHBondContact O-N 3.06Å; F807-L810 VanDerWaalsContact O-N 3.14Å; F807-L811 HydrophobicContact CD2-CD1 4.3Å; F807-L811 HydrophobicContact CD2-CG 4.03Å; F807-L811 HydrophobicContact CE2-CD1 4.03Å; F807-L811 HydrophobicContact CE2-CD2 3.97Å; F807-L811 HydrophobicContact CE2-CG 3.9Å; F807-L811 PolarHBondContact O-N 3.2Å
808	A	93.6	Very high	85.3	Confident	51 Å²	51	48.3 Å²	48.3	42%	0.421	27%	0.267	S	S	.	.	H	α-helix	trans	-57.2	-43.7	173.1	0	0	0	0	0	111.4	A804 G805 L811 R812	A804-A808 PolarHBondContact O-N 3.17Å; G805-A808 WeakPolarHBondContact O-CB 3.39Å; G805-A808 PolarHBondContact O-N 3.41Å; A808-L811 PolarHBondContact O-N 3.48Å; A808-R812 WeakPolarHBondContact O-CG 3.3Å; A808-R812 PolarHBondContact O-N 3.49Å
809	D	94.9	Very high	83.7	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-39.4	174.6	-83.4	-15.9	0	0	0	113.1	V575 L604 D606 G805 V806 F807 L811 R812 T813	V575-D809 HydrophobicContact CB-CB 4.43Å; V575-D809 HydrophobicContact CG1-CB 3.42Å; V575-D809 VanDerWaalsContact CG1-CB 3.42Å; V575-D809 HydrophobicContact CG2-CB 4.15Å; L604-D809 HydrophobicContact CB-CB 3.95Å; L604-D809 HydrophobicContact CD1-CB 4.11Å; L604-D809 WeakPolarHBondContact CD1-O 3.49Å; D606-D809 WeakPolarHBondContact CB-OD2 3.43Å; D606-D809 PolarHBondContact N-OD2 3.15Å; D606-D809 VanDerWaalsContact N-OD2 3.14Å; G805-D809 PolarHBondContact O-N 3.19Å; V806-D809 PolarHBondContact O-N 3.22Å; F807-D809 VanDerWaalsContact C-N 3.27Å; F807-D809 PolarHBondContact O-N 2.97Å; D809-L811 VanDerWaalsContact C-N 3.32Å; D809-L811 PolarHBondContact O-N 3.42Å; D809-R812 WeakPolarHBondContact O-CB 3.33Å; D809-R812 PolarHBondContact O-N 3.38Å; D809-R812 VanDerWaalsContact O-N 3.12Å; D809-R812 IonicContact OD1-CZ 3.74Å; D809-R812 IonicContact OD1-NH1 2.62Å; D809-R812 PolarHBondContact OD1-NH1 3.5Å; D809-T813 PolarHBondContact O-N 3.3Å
810	L	95	Very high	81.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-55.6	-47.2	172.1	-79.2	176.7	0	0	0	111.3	V468 L480 L484 V550 V552 V575 V806 F807 R812 T813	V468-L810 HydrophobicContact CG1-CD1 4.25Å; V468-L810 HydrophobicContact CG1-CD2 4.16Å; V468-L810 HydrophobicContact CG2-CD1 4.18Å; V468-L810 HydrophobicContact CG2-CD2 3.88Å; L480-L810 HydrophobicContact CD1-CD1 4.24Å; L484-L810 HydrophobicContact CD1-CD1 4.42Å; L484-L810 HydrophobicContact CD2-CD1 4.29Å; V550-L810 HydrophobicContact CB-CD2 4Å; V550-L810 HydrophobicContact CG1-CD2 3.57Å; V550-L810 HydrophobicContact CG2-CD2 4.44Å; V552-L810 HydrophobicContact CG2-CD1 4.23Å; V552-L810 HydrophobicContact CG2-CD2 3.48Å; V552-L810 VanDerWaalsContact CG2-CD2 3.48Å; V552-L810 HydrophobicContact CG2-CG 4.09Å; V575-L810 HydrophobicContact CG2-CD2 4.25Å; V806-L810 WeakPolarHBondContact O-CG 3.35Å; V806-L810 PolarHBondContact O-N 2.98Å; F807-L810 WeakPolarHBondContact O-CB 3.45Å; F807-L810 PolarHBondContact O-N 3.06Å; F807-L810 VanDerWaalsContact O-N 3.14Å; L810-R812 VanDerWaalsContact C-N 3.28Å; L810-R812 PolarHBondContact O-N 3.14Å; L810-T813 WeakPolarHBondContact O-CB 3.48Å; L810-T813 WeakPolarHBondContact O-CG2 3.3Å; L810-T813 PolarHBondContact O-N 2.99Å; L810-T813 PolarHBondContact O-OG1 3.2Å
811	L	92.7	Very high	81	Confident	43 Å²	43	51.7 Å²	51.7	23%	0.225	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-29.9	178.7	-64.4	-179.1	0	0	0	112.5	I466 W490 L491 I496 F807 A808 D809 T813 L814	I466-L811 HydrophobicContact CD1-CD2 4.16Å; W490-L811 HydrophobicContact CZ3-CD1 4.26Å; L491-L811 HydrophobicContact CD2-CD2 3.81Å; I496-L811 HydrophobicContact CD1-CD2 4.48Å; F807-L811 HydrophobicContact CD2-CD1 4.3Å; F807-L811 HydrophobicContact CD2-CG 4.03Å; F807-L811 HydrophobicContact CE2-CD1 4.03Å; F807-L811 HydrophobicContact CE2-CD2 3.97Å; F807-L811 HydrophobicContact CE2-CG 3.9Å; F807-L811 PolarHBondContact O-N 3.2Å; A808-L811 PolarHBondContact O-N 3.48Å; D809-L811 VanDerWaalsContact C-N 3.32Å; D809-L811 PolarHBondContact O-N 3.42Å; L811-T813 PolarHBondContact O-N 3.3Å; L811-L814 WeakPolarHBondContact O-CB 3.44Å; L811-L814 VanDerWaalsContact O-CG 3.29Å; L811-L814 WeakPolarHBondContact O-CG 3.23Å; L811-L814 PolarHBondContact O-N 2.78Å
812	R	91.3	Very high	80.5	Confident	50 Å²	50	51.7 Å²	51.7	19%	0.189	30%	0.297	C	S	.	.	H	α-helix	trans	-67.5	-14.3	173.5	-67.9	167.2	78.4	-142.8	0.8	112.7	K602 L604 E617 A808 D809 L810 L814	K602-R812 WeakPolarHBondContact CD-O 3.34Å; K602-R812 PolarHBondContact NZ-O 2.99Å; L604-R812 HydrophobicContact CD1-CB 3.81Å; E617-R812 VanDerWaalsContact CD-CZ 3.49Å; E617-R812 VanDerWaalsContact CD-NH2 3.34Å; E617-R812 IonicContact OE1-CZ 3.7Å; E617-R812 VanDerWaalsContact OE1-CZ 3.23Å; E617-R812 IonicContact OE1-NE 3.13Å; E617-R812 PolarHBondContact OE1-NE 3.39Å; E617-R812 IonicContact OE1-NH2 3.26Å; E617-R812 PolarHBondContact OE1-NH2 3.03Å; E617-R812 IonicContact OE2-CZ 2.85Å; E617-R812 IonicContact OE2-NE 2.97Å; A808-R812 WeakPolarHBondContact O-CG 3.3Å; A808-R812 PolarHBondContact O-N 3.49Å; D809-R812 WeakPolarHBondContact O-CB 3.33Å; D809-R812 PolarHBondContact O-N 3.38Å; D809-R812 VanDerWaalsContact O-N 3.12Å; D809-R812 IonicContact OD1-CZ 3.74Å; D809-R812 IonicContact OD1-NH1 2.62Å; D809-R812 PolarHBondContact OD1-NH1 3.5Å; L810-R812 VanDerWaalsContact C-N 3.28Å; L810-R812 PolarHBondContact O-N 3.14Å; R812-L814 PolarHBondContact O-N 3.18Å
813	T	90.7	Very high	79.9	Confident	4 Å²	4	53.6 Å²	53.6	3%	0.025	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.1	172.5	70.9	0	0	0	0	113.7	V550 H573 V575 L604 D809 L810 L811	V550-T813 HydrophobicContact CG1-CG2 4.1Å; V550-T813 HydrophobicContact CG2-CG2 4.02Å; H573-T813 HydrophobicContact CB-CG2 3.85Å; V575-T813 HydrophobicContact CG2-CG2 4.12Å; L604-T813 HydrophobicContact CD1-CG2 4.12Å; D809-T813 PolarHBondContact O-N 3.3Å; L810-T813 WeakPolarHBondContact O-CB 3.48Å; L810-T813 WeakPolarHBondContact O-CG2 3.3Å; L810-T813 PolarHBondContact O-N 2.99Å; L810-T813 PolarHBondContact O-OG1 3.2Å; L811-T813 PolarHBondContact O-N 3.3Å
814	L	83.5	Confident	79	Confident	19 Å²	19	56.7 Å²	56.7	10%	0.099	33%	0.325	C	S	.	.	S	Bend	trans	-57	143.5	175.7	-66.4	175.6	0	0	0	111.3	Q464 I466 I496 K602 L811 R812 W816	Q464-L814 HydrophobicContact CB-CD2 3.81Å; I466-L814 HydrophobicContact CD1-CD1 4.4Å; I466-L814 HydrophobicContact CD1-CD2 3.63Å; I466-L814 HydrophobicContact CD1-CG 3.87Å; I466-L814 HydrophobicContact CG1-CD2 3.5Å; I466-L814 HydrophobicContact CG1-CG 4.29Å; I496-L814 HydrophobicContact CD1-CD1 3.76Å; I496-L814 HydrophobicContact CG1-CD1 4.08Å; K602-L814 PolarHBondContact NZ-O 2.9Å; L811-L814 WeakPolarHBondContact O-CB 3.44Å; L811-L814 VanDerWaalsContact O-CG 3.29Å; L811-L814 WeakPolarHBondContact O-CG 3.23Å; L811-L814 PolarHBondContact O-N 2.78Å; R812-L814 PolarHBondContact O-N 3.18Å; L814-W816 PolarHBondContact O-N 3.04Å
815	S	66.8	Low	78.1	Confident	90 Å²	90	57.4 Å²	57.4	63%	0.629	32%	0.322	S	S	*	.	S	Bend	trans	-69.9	-20.3	179.7	46.8	0	0	0	0	112.9
816	W	62.5	Low	77.1	Confident	166 Å²	166	60.9 Å²	60.9	63%	0.629	34%	0.34	S	S	*	.	S	Bend	trans	-143.1	132.8	179.5	-177.8	45.5	0	0	0	109.9	L814 L818	L814-W816 PolarHBondContact O-N 3.04Å; W816-L818 HydrophobicContact CZ3-CG 4.38Å; W816-L818 PolarHBondContact O-N 3.03Å
817	K	54.4	Low	75.7	Confident	158 Å²	158	65.2 Å²	65.2	69%	0.687	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-74.3	116.4	164	-73.5	-174.6	177.3	-177.8	0	106.6	G819	K817-G819 PolarHBondContact O-N 3.05Å; K817-G819 VanDerWaalsContact O-N 3.15Å
818	L	50.6	Low	74.2	Confident	62 Å²	62	68.9 Å²	68.9	33%	0.325	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-52.4	126.1	163	-89.9	112.3	0	0	0	106.8	K494 W816 V820	K494-L818 WeakPolarHBondContact O-CD1 3.49Å; W816-L818 HydrophobicContact CZ3-CG 4.38Å; W816-L818 PolarHBondContact O-N 3.03Å; L818-V820 PolarHBondContact O-N 2.98Å
819	G	47.2	Very low	72.6	Confident	61 Å²	61	70.4 Å²	70.4	63%	0.629	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-50.8	127.2	166.7	0	0	0	0	0	107.5	K817	K817-G819 PolarHBondContact O-N 3.05Å; K817-G819 VanDerWaalsContact O-N 3.15Å
820	V	41.3	Very low	70.5	Confident	191 Å²	191	76.7 Å²	76.7	100%	1.158	42%	0.418	S	S	*	.			trans	-47.5	0	-174.2	176.8	0	0	0	0	111.4	L818	L818-V820 PolarHBondContact O-N 2.98Å

Retrieved 820 of 820 residues in 2562.3 ms (Link to these results)

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