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DNA ligase

DNA ligase involved in DNA non-homologous end joining (NHEJ); required for double-strand break (DSB) repair and V(D)J recombination. Catalyzes the NHEJ ligation step of the broken DNA during DSB repair by resealing the DNA breaks after the gap filling is completed. Joins single-strand breaks in a double-stranded polydeoxynucleotide in an ATP-dependent reaction. LIG4 is mechanistically flexible: it can ligate nicks as well as compatible DNA overhangs alone, while in the presence of XRCC4, it can ligate ends with 2-nucleotides (nt) microhomology and 1-nt gaps. Forms a subcomplex with XRCC4; the LIG4-XRCC4 subcomplex is responsible for the NHEJ ligation step and XRCC4 enhances the joining activity of LIG4. Binding of the LIG4-XRCC4 complex to DNA ends is dependent on the assembly of the DNA-dependent protein kinase complex DNA-PK to these DNA ends. LIG4 regulates nuclear localization of XRCC4.

AlphaFold DB , UniProt , Accession A0A096N3D0, Species PAPAN (Papio anubis, Olive baboon), Gene LIG4, Length 911 aa.

						>A0A096N3D0_PAPAN|A0A096N3D0|LIG4
MAASPPSQTVASHVPFADLCSTLERIQKSRGRAEKIRHFREFLDSWRKFHDALHKNQKDVTDSFYPAMRLILPQLERERMAYGIKETMLAKLYIELLNLPRDGKDALKLLNYRTPTGTHGDAGDFALIAYFVLKPRCLQKGSLTIQQVNDLLDSVASNNSAKRKDLIKKSLLQLITQSSALEQKWLIRMIIKDLKLGVSQQTILSVFHNDAVELHNVTTDLEKVCRQLHDPSVGLSDISITLFSAFKPMLAAIADIEHIEKDMKHQSFYIETKLDGERMQMHKDGDVYKYFSRNGYNYTDQFGASPTEGSLTPFIHNAFKTDIQICILDGEMMAYNPNTQTFMQKGIKFDIKRMVEDSDLQTCYCVFDVLMVNNKKLGHETLRKRYEILSSIFTPIPGRIEIVQKTQAHTKNEVIDALNEAIDKREEGIMIKQPLSIYKPDKRGEGWLKIKPEYVTGLMDELDILIVGGYWGKGSRGGMMSHFLCAVAEKPPPGEKPSVFHTLSRVGSGCTMKELYDLGLKLAKYWKPFHKKAPPSSILCGTEKPEVYIEPCNSVIVQIKAAEIVPSDMYKTGCTLRFPRIEKIREDKEWHECMTLDDLEQLRGKASGKLASKHLFVGGDDGPQEKKRKAAPKMKKVIGIIEHLKAPNLTNVNKISNIFEDVEFCVMSGTDSQPKPDLENRIAELGGYIVQNPGPDTYCVIAGSKNIRVKNIILSNKHDVVKPAWLLECFKTKSFVPWQPRFMIHMCPSTKEHFAREYDCYGDSYFVDTDLNQLKEVFSGIKNSYEQTPEEMASLIADLEYRYSWDCSPLSMFRRHTVYLDLYVVINDLSTKTEGTRLAIKALELRFHGAKVVSCLAEGVSHVIIGEDHSRVADFKAFRRTFKRKFKILKESWVTDSIDRCELQEENQYLI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	61.8	Low	246 Å²	246	92.4 Å²	92.4	100%	1.212	59%	0.589	S	S	*	*				0	107.2	0	-67.2	-174.7	-136.6	0	0	107.2
2	A	31.4	Very low	64.7	Low	104 Å²	104	88.3 Å²	88.3	86%	0.86	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-69.4	128.7	176.8	0	0	0	0	0	108.7	S4	A2-S4 PolarHBondContact O-N 3.18Å
3	A	33.7	Very low	67.3	Low	96 Å²	96	87.8 Å²	87.8	79%	0.793	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-60.3	127.3	174.9	0	0	0	0	0	109.4
4	S	35	Very low	69.4	Low	109 Å²	109	83 Å²	83	76%	0.762	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-50.8	132.8	171.3	-36.5	0	0	0	0	109.3	A2	A2-S4 PolarHBondContact O-N 3.18Å
5	P	42.9	Very low	71.4	Confident	117 Å²	117	81.1 Å²	81.1	76%	0.76	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-58.9	144.2	174.7	21.1	-27.4	0	0	0	109.8	S7	P5-S7 PolarHBondContact O-N 2.96Å
6	P	53.5	Low	73.1	Confident	118 Å²	118	76 Å²	76	77%	0.766	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-58.1	133.6	179.5	23.5	-31.9	0	0	0	109.6	Q8	P6-Q8 PolarHBondContact O-N 2.76Å
7	S	71.1	Confident	74.5	Confident	100 Å²	100	73.8 Å²	73.8	70%	0.699	47%	0.468	S	S	*	.			trans	-60.6	112.3	176.9	66.3	0	0	0	0	108.7	P5	P5-S7 PolarHBondContact O-N 2.96Å
8	Q	86.8	Confident	75.8	Confident	101 Å²	101	74.3 Å²	74.3	47%	0.472	47%	0.466	S	S	.	.			trans	-63.3	143.8	176.2	-70.6	-176.8	-20.7	0	0	109.9	P6 L53 H54	P6-Q8 PolarHBondContact O-N 2.76Å; Q8-L53 HydrophobicContact CB-CD1 4.36Å; Q8-L53 HydrophobicContact CB-CD2 4.42Å; Q8-H54 PolarHBondContact O-CE1 3.23Å; Q8-H54 VanDerWaalsContact O-CE1 3.24Å
9	T	95.1	Very high	77	Confident	24 Å²	24	70.4 Å²	70.4	15%	0.147	44%	0.442	C	S	.	.			trans	-126.1	155.8	174.5	71.7	0	0	0	0	109.3	A11 S12 H13 Q146	T9-A11 PolarHBondContact O-N 2.75Å; T9-A11 PolarHBondContact OG1-N 3.3Å; T9-S12 PolarHBondContact O-N 3.21Å; T9-S12 PolarHBondContact O-OG 2.89Å; T9-S12 PolarHBondContact OG1-N 3.18Å; T9-H13 PolarHBondContact O-ND1 2.87Å; T9-Q146 PolarHBondContact OG1-OE1 2.89Å
10	V	97.3	Very high	78.1	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-60.8	-39.1	170.4	173.9	0	0	0	0	110.6	S12 H13 V14 W46 F49 H50 L53 D62	V10-S12 VanDerWaalsContact C-N 3.25Å; V10-S12 PolarHBondContact O-N 2.9Å; V10-H13 PolarHBondContact O-N 2.82Å; V10-V14 HydrophobicContact CG1-CG2 3.65Å; V10-V14 WeakPolarHBondContact O-CG2 2.92Å; V10-V14 PolarHBondContact O-N 3.22Å; V10-V14 VanDerWaalsContact O-N 3.08Å; V10-W46 HydrophobicContact CB-CD2 4.41Å; V10-W46 HydrophobicContact CB-CZ2 3.81Å; V10-W46 HydrophobicContact CG1-CD2 3.49Å; V10-W46 VanDerWaalsContact CG1-CD2 3.49Å; V10-W46 HydrophobicContact CG1-CE3 3.95Å; V10-W46 HydrophobicContact CG1-CG 3.94Å; V10-W46 HydrophobicContact CG1-CH2 4.06Å; V10-W46 HydrophobicContact CG1-CZ2 3.62Å; V10-W46 HydrophobicContact CG1-CZ3 4.21Å; V10-F49 HydrophobicContact CB-CD1 4.17Å; V10-F49 HydrophobicContact CG1-CD1 3.69Å; V10-F49 HydrophobicContact CG1-CE1 4.28Å; V10-F49 HydrophobicContact CG2-CD1 3.83Å; V10-F49 HydrophobicContact CG2-CE1 4.33Å; V10-H50 HydrophobicContact CG2-CB 3.72Å; V10-L53 HydrophobicContact CG2-CD2 4.05Å; V10-D62 WeakPolarHBondContact CG2-OD2 3.39Å; V10-D62 PolarHBondContact N-OD2 3.42Å
11	A	97.6	Very high	79	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.008	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-63	-26.7	-177.6	0	0	0	0	0	114.2	T9 H13 W46 P66 I145 Q146	T9-A11 PolarHBondContact O-N 2.75Å; T9-A11 PolarHBondContact OG1-N 3.3Å; A11-H13 VanDerWaalsContact C-N 3.27Å; A11-W46 HydrophobicContact CB-CH2 3.93Å; A11-W46 HydrophobicContact CB-CZ2 4.27Å; A11-P66 HydrophobicContact CB-CB 3.58Å; A11-P66 HydrophobicContact CB-CG 3.74Å; A11-I145 HydrophobicContact CB-CB 4.5Å; A11-I145 HydrophobicContact CB-CG2 4.31Å; A11-I145 PolarHBondContact O-N 2.83Å; A11-Q146 HydrophobicContact CB-CB 3.97Å; A11-Q146 PolarHBondContact O-N 3.26Å
12	S	97.3	Very high	82	Confident	43 Å²	43	54.5 Å²	54.5	30%	0.301	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-76.1	-12.5	174	71.2	0	0	0	0	113.7	T9 V10 T144	T9-S12 PolarHBondContact O-N 3.21Å; T9-S12 PolarHBondContact O-OG 2.89Å; T9-S12 PolarHBondContact OG1-N 3.18Å; V10-S12 VanDerWaalsContact C-N 3.25Å; V10-S12 PolarHBondContact O-N 2.9Å; S12-T144 WeakPolarHBondContact O-CG2 3.49Å
13	H	97.4	Very high	85.2	Confident	83 Å²	83	49.6 Å²	49.6	38%	0.384	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-23.6	-178.9	-63.8	88.9	0	0	0	112.8	T9 V10 A11 P15 F49	T9-H13 PolarHBondContact O-ND1 2.87Å; V10-H13 PolarHBondContact O-N 2.82Å; A11-H13 VanDerWaalsContact C-N 3.27Å; H13-P15 WeakPolarHBondContact O-CD 3.36Å; H13-F49 HydrophobicContact CB-CE1 3.72Å; H13-F49 HydrophobicContact CB-CZ 3.81Å
14	V	98	Very high	88.3	Confident	20 Å²	20	46.1 Å²	46.1	12%	0.121	29%	0.286	C	S	.	.	S	Bend	trans	-85.3	117.9	-179	-179.7	0	0	0	0	110.5	V10 F42 W46 T144 I145	V10-V14 HydrophobicContact CG1-CG2 3.65Å; V10-V14 WeakPolarHBondContact O-CG2 2.92Å; V10-V14 PolarHBondContact O-N 3.22Å; V10-V14 VanDerWaalsContact O-N 3.08Å; V14-F42 HydrophobicContact CG1-CE2 4.26Å; V14-F42 HydrophobicContact CG1-CZ 4.29Å; V14-W46 HydrophobicContact CB-CZ3 4.13Å; V14-W46 HydrophobicContact CG1-CZ3 4.24Å; V14-W46 HydrophobicContact CG2-CE3 4.1Å; V14-W46 HydrophobicContact CG2-CZ3 4.01Å; V14-T144 WeakPolarHBondContact O-CA 3.29Å; V14-I145 HydrophobicContact CB-CD1 4.01Å; V14-I145 HydrophobicContact CG1-CD1 3.51Å; V14-I145 HydrophobicContact CG1-CG1 4.43Å; V14-I145 PolarHBondContact O-N 3.33Å
15	P	98.3	Very high	91.3	Very high	54 Å²	54	46.6 Å²	46.6	35%	0.351	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-59.3	139.6	173.1	-22.8	33.9	0	0	0	112.1	H13 A17 D18	H13-P15 WeakPolarHBondContact O-CD 3.36Å; P15-A17 HydrophobicContact CB-CB 4.41Å; P15-A17 PolarHBondContact O-N 2.75Å; P15-D18 WeakPolarHBondContact CD-OD2 3.46Å; P15-D18 PolarHBondContact O-N 3.35Å; P15-D18 VanDerWaalsContact O-N 3.11Å
16	F	98.5	Very high	93.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-28.1	173.6	-179.2	-115.7	0	0	0	112.5	D18 L19 C20 L70 L143 I145 V148 E182 L186 M189	F16-D18 PolarHBondContact O-N 3.14Å; F16-L19 HydrophobicContact CD2-CD2 4.24Å; F16-L19 HydrophobicContact CE2-CD2 4.11Å; F16-L19 PolarHBondContact O-N 2.78Å; F16-C20 WeakPolarHBondContact CE1-SG 3.37Å; F16-C20 WeakPolarHBondContact CZ-SG 3.21Å; F16-C20 PolarHBondContact O-N 3.46Å; F16-C20 PolarHBondContact O-SG 3.16Å; F16-C20 VanDerWaalsContact O-SG 3.37Å; F16-L70 HydrophobicContact CD2-CD1 4.45Å; F16-L70 HydrophobicContact CE2-CD1 4.15Å; F16-L143 VanDerWaalsContact CB-O 3.29Å; F16-L143 WeakPolarHBondContact CB-O 3.31Å; F16-L143 PolarHBondContact N-O 3.36Å; F16-I145 HydrophobicContact CD2-CG1 4.41Å; F16-V148 HydrophobicContact CB-CG2 3.89Å; F16-V148 HydrophobicContact CD1-CG2 3.98Å; F16-V148 HydrophobicContact CD2-CB 4.29Å; F16-V148 HydrophobicContact CD2-CG1 4.25Å; F16-V148 HydrophobicContact CD2-CG2 3.88Å; F16-V148 HydrophobicContact CE1-CG2 4.49Å; F16-V148 HydrophobicContact CE2-CG1 4.1Å; F16-V148 HydrophobicContact CE2-CG2 4.4Å; F16-V148 HydrophobicContact CG-CG2 3.65Å; F16-V148 HydrophobicContact CZ-CG1 4.47Å; F16-E182 HydrophobicContact CD1-CB 3.88Å; F16-E182 HydrophobicContact CD1-CG 3.79Å; F16-E182 HydrophobicContact CE1-CB 3.75Å; F16-E182 HydrophobicContact CE1-CG 4.07Å; F16-L186 HydrophobicContact CE1-CD1 4.11Å; F16-L186 HydrophobicContact CE1-CD2 3.77Å; F16-L186 HydrophobicContact CE1-CG 3.6Å; F16-L186 HydrophobicContact CE2-CD2 4.38Å; F16-L186 HydrophobicContact CZ-CD2 3.59Å; F16-L186 HydrophobicContact CZ-CG 3.76Å; F16-M189 HydrophobicContact CE2-CE 3.75Å; F16-M189 HydrophobicContact CE2-SD 3.79Å; F16-M189 HydrophobicContact CZ-CE 3.9Å; F16-M189 HydrophobicContact CZ-SD 3.76Å
17	A	97.8	Very high	95.9	Very high	38 Å²	38	37.8 Å²	37.8	31%	0.314	21%	0.21	S	C	.	.	H	α-helix	trans	-55.3	-36.9	172.9	0	0	0	0	0	112.9	P15 C20 S21 E182	P15-A17 HydrophobicContact CB-CB 4.41Å; P15-A17 PolarHBondContact O-N 2.75Å; A17-C20 PolarHBondContact O-N 3.07Å; A17-S21 WeakPolarHBondContact O-CB 3.3Å; A17-S21 PolarHBondContact O-N 3.44Å; A17-E182 WeakPolarHBondContact CA-OE1 3.46Å; A17-E182 WeakPolarHBondContact CB-OE1 3.42Å; A17-E182 PolarHBondContact N-OE1 3.38Å; A17-E182 VanDerWaalsContact N-OE1 3.16Å
18	D	98.1	Very high	97	Very high	83 Å²	83	40 Å²	40	44%	0.444	21%	0.206	S	C	.	.	H	α-helix	trans	-71.9	-40.1	-178.3	-68.3	-19.3	0	0	0	111.6	P15 F16 S21 T22 F42	P15-D18 WeakPolarHBondContact CD-OD2 3.46Å; P15-D18 PolarHBondContact O-N 3.35Å; P15-D18 VanDerWaalsContact O-N 3.11Å; F16-D18 PolarHBondContact O-N 3.14Å; D18-S21 PolarHBondContact O-N 2.82Å; D18-T22 PolarHBondContact O-N 3.3Å; D18-T22 PolarHBondContact O-OG1 3.05Å; D18-F42 HydrophobicContact CB-CE2 4.41Å
19	L	98.4	Very high	97.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-48.2	170.4	177.3	60.1	0	0	0	110.3	F16 S21 T22 L23 F42 L70 I71 I145 M189	F16-L19 HydrophobicContact CD2-CD2 4.24Å; F16-L19 HydrophobicContact CE2-CD2 4.11Å; F16-L19 PolarHBondContact O-N 2.78Å; L19-S21 VanDerWaalsContact C-N 3.33Å; L19-S21 PolarHBondContact O-N 3.15Å; L19-T22 WeakPolarHBondContact O-CB 3.46Å; L19-T22 PolarHBondContact O-N 3.43Å; L19-T22 VanDerWaalsContact O-N 3.16Å; L19-L23 HydrophobicContact CD1-CD1 4.33Å; L19-L23 HydrophobicContact CD1-CG 4.2Å; L19-L23 HydrophobicContact CG-CD1 4.17Å; L19-L23 HydrophobicContact CG-CG 4.43Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.32Å; L19-L23 PolarHBondContact O-N 3.39Å; L19-F42 HydrophobicContact CB-CE2 4.45Å; L19-F42 HydrophobicContact CB-CZ 4.18Å; L19-F42 HydrophobicContact CD1-CE1 4.04Å; L19-F42 HydrophobicContact CD1-CZ 4.11Å; L19-L70 HydrophobicContact CD2-CB 4.03Å; L19-L70 HydrophobicContact CD2-CD1 3.89Å; L19-I71 HydrophobicContact CD1-CD1 3.97Å; L19-I71 HydrophobicContact CD1-CG1 3.89Å; L19-I145 HydrophobicContact CB-CD1 3.97Å; L19-I145 HydrophobicContact CB-CG1 4.39Å; L19-I145 HydrophobicContact CD2-CD1 4.22Å; L19-I145 HydrophobicContact CD2-CG1 4.31Å; L19-M189 HydrophobicContact CD2-CE 4.2Å
20	C	98.4	Very high	97.2	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-39.5	178.8	-71.5	0	0	0	0	113	F16 A17 T22 L23 E24 E182 W185	F16-C20 WeakPolarHBondContact CE1-SG 3.37Å; F16-C20 WeakPolarHBondContact CZ-SG 3.21Å; F16-C20 PolarHBondContact O-N 3.46Å; F16-C20 PolarHBondContact O-SG 3.16Å; F16-C20 VanDerWaalsContact O-SG 3.37Å; A17-C20 PolarHBondContact O-N 3.07Å; C20-T22 VanDerWaalsContact C-N 3.33Å; C20-L23 PolarHBondContact O-N 3.29Å; C20-E24 VanDerWaalsContact O-CB 3.31Å; C20-E24 WeakPolarHBondContact O-CB 3.38Å; C20-E24 PolarHBondContact O-N 3.38Å; C20-E182 HydrophobicContact CB-CG 4.1Å; C20-W185 HydrophobicContact CB-CG 4.4Å; C20-W185 PolarHBondContact O-NE1 2.96Å
21	S	97.8	Very high	96.9	Very high	39 Å²	39	47.7 Å²	47.7	27%	0.273	24%	0.24	S	C	.	.	H	α-helix	trans	-61.8	-42.7	174.7	-173.8	0	0	0	0	111.2	A17 D18 L19 E24 R25	A17-S21 WeakPolarHBondContact O-CB 3.3Å; A17-S21 PolarHBondContact O-N 3.44Å; D18-S21 PolarHBondContact O-N 2.82Å; L19-S21 VanDerWaalsContact C-N 3.33Å; L19-S21 PolarHBondContact O-N 3.15Å; S21-E24 PolarHBondContact O-N 3Å; S21-R25 WeakPolarHBondContact O-CG 3.49Å; S21-R25 PolarHBondContact O-N 3.03Å; S21-R25 PolarHBondContact OG-NH2 3.35Å
22	T	98.3	Very high	96.7	Very high	13 Å²	13	55.4 Å²	55.4	8%	0.08	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-49.3	175.8	-58.9	0	0	0	0	111.3	D18 L19 C20 E24 R25 I26 H38 F42	D18-T22 PolarHBondContact O-N 3.3Å; D18-T22 PolarHBondContact O-OG1 3.05Å; L19-T22 WeakPolarHBondContact O-CB 3.46Å; L19-T22 PolarHBondContact O-N 3.43Å; L19-T22 VanDerWaalsContact O-N 3.16Å; C20-T22 VanDerWaalsContact C-N 3.33Å; T22-E24 VanDerWaalsContact C-N 3.27Å; T22-E24 PolarHBondContact O-N 3.21Å; T22-R25 PolarHBondContact O-N 2.89Å; T22-I26 HydrophobicContact CG2-CD1 3.91Å; T22-I26 HydrophobicContact CG2-CG1 4.48Å; T22-I26 VanDerWaalsContact O-CG1 3.3Å; T22-I26 WeakPolarHBondContact O-CG1 3.45Å; T22-I26 PolarHBondContact O-N 3.04Å; T22-H38 WeakPolarHBondContact CG2-O 3.41Å; T22-F42 HydrophobicContact CG2-CB 3.71Å; T22-F42 HydrophobicContact CG2-CG 4.17Å; T22-F42 WeakPolarHBondContact OG1-CD2 3.38Å
23	L	98.3	Very high	96.6	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-36.9	177.7	-64.8	178.7	0	0	0	112.1	L19 C20 Q27 I71 W185 M189 L194 L196	L19-L23 HydrophobicContact CD1-CD1 4.33Å; L19-L23 HydrophobicContact CD1-CG 4.2Å; L19-L23 HydrophobicContact CG-CD1 4.17Å; L19-L23 HydrophobicContact CG-CG 4.43Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.32Å; L19-L23 PolarHBondContact O-N 3.39Å; C20-L23 PolarHBondContact O-N 3.29Å; L23-Q27 WeakPolarHBondContact O-CB 3.48Å; L23-Q27 PolarHBondContact O-N 3.46Å; L23-I71 HydrophobicContact CD2-CG1 4.32Å; L23-W185 VanDerWaalsContact C-CZ2 3.42Å; L23-W185 HydrophobicContact CB-CD2 3.86Å; L23-W185 HydrophobicContact CB-CE3 4.02Å; L23-W185 HydrophobicContact CB-CH2 3.84Å; L23-W185 HydrophobicContact CB-CZ2 3.68Å; L23-W185 HydrophobicContact CB-CZ3 4.01Å; L23-W185 HydrophobicContact CD1-CD2 4.01Å; L23-W185 HydrophobicContact CD1-CE3 3.86Å; L23-W185 HydrophobicContact CD1-CG 4.35Å; L23-W185 HydrophobicContact CD1-CZ3 4.38Å; L23-W185 WeakPolarHBondContact O-CZ2 3.47Å; L23-M189 HydrophobicContact CD1-CE 3.62Å; L23-L194 HydrophobicContact CD1-CD2 4.1Å; L23-L194 HydrophobicContact CD2-CD2 4.2Å; L23-L196 HydrophobicContact CB-CD2 4.34Å; L23-L196 HydrophobicContact CD2-CD1 3.93Å; L23-L196 HydrophobicContact CD2-CD2 3.96Å
24	E	97.9	Very high	96.5	Very high	24 Å²	24	57 Å²	57	11%	0.112	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-44.1	175.4	-170.6	66.7	-176.3	0	0	112.5	C20 S21 T22 Q27 K28 L181 K184 W185	C20-E24 VanDerWaalsContact O-CB 3.31Å; C20-E24 WeakPolarHBondContact O-CB 3.38Å; C20-E24 PolarHBondContact O-N 3.38Å; S21-E24 PolarHBondContact O-N 3Å; T22-E24 VanDerWaalsContact C-N 3.27Å; T22-E24 PolarHBondContact O-N 3.21Å; E24-Q27 PolarHBondContact O-N 3.28Å; E24-K28 HydrophobicContact CG-CD 4.26Å; E24-K28 WeakPolarHBondContact O-CB 3.43Å; E24-K28 WeakPolarHBondContact O-CG 3.45Å; E24-K28 PolarHBondContact O-N 3.2Å; E24-K28 VanDerWaalsContact O-N 3.08Å; E24-K28 WeakPolarHBondContact OE1-CE 3.28Å; E24-K28 IonicContact OE1-NZ 3.99Å; E24-K28 PolarHBondContact OE1-NZ 3.37Å; E24-L181 HydrophobicContact CG-CD1 4.36Å; E24-K184 IonicContact OE1-NZ 2.74Å; E24-K184 PolarHBondContact OE1-NZ 3.04Å; E24-K184 WeakPolarHBondContact OE2-CE 3.49Å; E24-K184 IonicContact OE2-NZ 3.6Å; E24-K184 PolarHBondContact OE2-NZ 3.17Å; E24-W185 PolarHBondContact OE2-NE1 3.13Å
25	R	97.8	Very high	96.4	Very high	118 Å²	118	57 Å²	57	45%	0.445	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-50.6	175.2	-68.9	177	-136.3	-176.3	3.7	110.6	S21 T22 Q27 K28 S29 H38	S21-R25 WeakPolarHBondContact O-CG 3.49Å; S21-R25 PolarHBondContact O-N 3.03Å; S21-R25 PolarHBondContact OG-NH2 3.35Å; T22-R25 PolarHBondContact O-N 2.89Å; R25-Q27 VanDerWaalsContact C-N 3.31Å; R25-Q27 PolarHBondContact O-N 2.66Å; R25-K28 PolarHBondContact O-N 2.83Å; R25-K28 VanDerWaalsContact O-N 3.15Å; R25-S29 PolarHBondContact O-N 2.9Å; R25-S29 PolarHBondContact O-OG 3.41Å; R25-H38 HydrophobicContact CB-CB 4.42Å
26	I	97.4	Very high	96.4	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-53.5	-48.9	176.5	-66.5	169	0	0	0	110.5	T22 K28 S29 K35 H38 F39 L196 V198	T22-I26 HydrophobicContact CG2-CD1 3.91Å; T22-I26 HydrophobicContact CG2-CG1 4.48Å; T22-I26 VanDerWaalsContact O-CG1 3.3Å; T22-I26 WeakPolarHBondContact O-CG1 3.45Å; T22-I26 PolarHBondContact O-N 3.04Å; I26-K28 PolarHBondContact O-N 3.3Å; I26-S29 PolarHBondContact O-N 3.19Å; I26-K35 HydrophobicContact CG2-CB 4.11Å; I26-K35 HydrophobicContact CG2-CG 4.14Å; I26-K35 WeakPolarHBondContact O-CG 3.46Å; I26-K35 PolarHBondContact O-NZ 2.86Å; I26-H38 HydrophobicContact CG1-CB 3.69Å; I26-F39 HydrophobicContact CD1-CB 3.87Å; I26-L196 HydrophobicContact CG2-CB 4.04Å; I26-L196 HydrophobicContact CG2-CD2 4.43Å; I26-V198 HydrophobicContact CG2-CG1 4.21Å
27	Q	95.6	Very high	96.4	Very high	47 Å²	47	61.8 Å²	61.8	22%	0.22	30%	0.298	C	S	.	.	H	α-helix	trans	-63.5	-40.4	-178.4	176	163.6	73	0	0	112.7	L23 E24 R25 K35 W185 K195	L23-Q27 WeakPolarHBondContact O-CB 3.48Å; L23-Q27 PolarHBondContact O-N 3.46Å; E24-Q27 PolarHBondContact O-N 3.28Å; R25-Q27 VanDerWaalsContact C-N 3.31Å; R25-Q27 PolarHBondContact O-N 2.66Å; Q27-K35 PolarHBondContact O-NZ 3.48Å; Q27-W185 HydrophobicContact CB-CH2 4Å; Q27-W185 HydrophobicContact CB-CZ2 4.26Å; Q27-K195 PolarHBondContact NE2-O 3.19Å
28	K	94.7	Very high	96.4	Very high	145 Å²	145	60.8 Å²	60.8	63%	0.63	29%	0.286	S	S	*	.	H	α-helix	trans	-73.5	-29.6	-179	-75.7	175.9	177.3	159	0	113.9	E24 R25 I26	E24-K28 HydrophobicContact CG-CD 4.26Å; E24-K28 WeakPolarHBondContact O-CB 3.43Å; E24-K28 WeakPolarHBondContact O-CG 3.45Å; E24-K28 PolarHBondContact O-N 3.2Å; E24-K28 VanDerWaalsContact O-N 3.08Å; E24-K28 WeakPolarHBondContact OE1-CE 3.28Å; E24-K28 IonicContact OE1-NZ 3.99Å; E24-K28 PolarHBondContact OE1-NZ 3.37Å; R25-K28 PolarHBondContact O-N 2.83Å; R25-K28 VanDerWaalsContact O-N 3.15Å; I26-K28 PolarHBondContact O-N 3.3Å
29	S	95.8	Very high	96.4	Very high	6 Å²	6	57 Å²	57	4%	0.042	27%	0.266	C	S	.	.			trans	-60.6	137.7	177.1	-62.8	0	0	0	0	111.6	R25 I26 E34 K35 H38	R25-S29 PolarHBondContact O-N 2.9Å; R25-S29 PolarHBondContact O-OG 3.41Å; I26-S29 PolarHBondContact O-N 3.19Å; S29-E34 WeakPolarHBondContact CB-OE1 3.42Å; S29-E34 VanDerWaalsContact CB-OE2 3.32Å; S29-E34 WeakPolarHBondContact CB-OE2 3.14Å; S29-E34 WeakPolarHBondContact OG-CG 3.34Å; S29-E34 PolarHBondContact OG-OE1 2.94Å; S29-K35 WeakPolarHBondContact O-CE 3.3Å; S29-K35 PolarHBondContact O-NZ 3.16Å; S29-H38 PolarHBondContact OG-CD2 3.47Å; S29-H38 VanDerWaalsContact OG-CD2 3.29Å; S29-H38 PolarHBondContact OG-NE2 3.06Å
30	R	90.4	Very high	96.3	Very high	248 Å²	248	63 Å²	63	94%	0.936	29%	0.288	S	S	*	.			trans	-86.2	-40	-179.7	-67	-175.4	179	-175.3	0.4	112
31	G	91.6	Very high	96.3	Very high	34 Å²	34	66.8 Å²	66.8	35%	0.351	31%	0.306	S	S	.	.	S	Bend	trans	-88.4	143.9	-174.5	0	0	0	0	0	113.4	A33 E34 K35	G31-A33 VanDerWaalsContact C-N 3.28Å; G31-A33 PolarHBondContact O-N 2.84Å; G31-E34 PolarHBondContact O-N 3.17Å; G31-K35 WeakPolarHBondContact O-CG 3.19Å; G31-K35 PolarHBondContact O-N 3.26Å; G31-K35 VanDerWaalsContact O-N 3.11Å
32	R	92.8	Very high	96.4	Very high	163 Å²	163	65.9 Å²	65.9	62%	0.615	30%	0.297	S	S	*	.	H	α-helix	trans	-57.8	-40.2	174.1	-174.4	-177.9	-178.2	-162.1	-0.1	112.1	K35 I36 T202	R32-K35 PolarHBondContact O-N 3.47Å; R32-I36 HydrophobicContact CG-CD1 3.97Å; R32-I36 VanDerWaalsContact O-CG1 3.3Å; R32-I36 WeakPolarHBondContact O-CG1 3.48Å; R32-I36 PolarHBondContact O-N 3.06Å; R32-T202 PolarHBondContact NH2-OG1 3.46Å
33	A	94.3	Very high	96.4	Very high	80 Å²	80	65.3 Å²	65.3	66%	0.661	29%	0.294	S	S	*	.	H	α-helix	trans	-62.2	-43.6	179.5	0	0	0	0	0	112.2	G31 I36 R37	G31-A33 VanDerWaalsContact C-N 3.28Å; G31-A33 PolarHBondContact O-N 2.84Å; A33-I36 PolarHBondContact O-N 3.25Å; A33-R37 PolarHBondContact O-N 3.43Å
34	E	95.9	Very high	96.3	Very high	80 Å²	80	68.3 Å²	68.3	37%	0.374	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-41.6	178.3	-165.1	-164.5	160.6	0	0	111.7	S29 G31 I36 R37 H38	S29-E34 WeakPolarHBondContact CB-OE1 3.42Å; S29-E34 VanDerWaalsContact CB-OE2 3.32Å; S29-E34 WeakPolarHBondContact CB-OE2 3.14Å; S29-E34 WeakPolarHBondContact OG-CG 3.34Å; S29-E34 PolarHBondContact OG-OE1 2.94Å; G31-E34 PolarHBondContact O-N 3.17Å; E34-I36 VanDerWaalsContact C-N 3.34Å; E34-I36 PolarHBondContact O-N 2.91Å; E34-R37 WeakPolarHBondContact O-CB 3.49Å; E34-R37 PolarHBondContact O-N 3.23Å; E34-H38 PolarHBondContact O-CD2 2.61Å; E34-H38 VanDerWaalsContact O-CD2 3.27Å; E34-H38 PolarHBondContact O-N 2.93Å; E34-H38 VanDerWaalsContact O-N 3.11Å; E34-H38 IonicContact OE1-NE2 3.47Å
35	K	97.3	Very high	96.4	Very high	18 Å²	18	70.8 Å²	70.8	8%	0.078	33%	0.33	C	S	.	.	H	α-helix	trans	-57.8	-45.1	172.1	-68.7	179.9	-174.2	-71.3	0	112	I26 Q27 S29 G31 R32 F39 L196 V198	I26-K35 HydrophobicContact CG2-CB 4.11Å; I26-K35 HydrophobicContact CG2-CG 4.14Å; I26-K35 WeakPolarHBondContact O-CG 3.46Å; I26-K35 PolarHBondContact O-NZ 2.86Å; Q27-K35 PolarHBondContact O-NZ 3.48Å; S29-K35 WeakPolarHBondContact O-CE 3.3Å; S29-K35 PolarHBondContact O-NZ 3.16Å; G31-K35 WeakPolarHBondContact O-CG 3.19Å; G31-K35 PolarHBondContact O-N 3.26Å; G31-K35 VanDerWaalsContact O-N 3.11Å; R32-K35 PolarHBondContact O-N 3.47Å; K35-F39 PolarHBondContact O-N 3.36Å; K35-L196 PolarHBondContact NZ-O 3.16Å; K35-V198 HydrophobicContact CD-CB 4.44Å
36	I	97.1	Very high	96.4	Very high	39 Å²	39	65.5 Å²	65.5	20%	0.2	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-43.6	177.8	-72.3	169.9	0	0	0	110.7	R32 A33 E34 H38 F39 R40 T202 V206	R32-I36 HydrophobicContact CG-CD1 3.97Å; R32-I36 VanDerWaalsContact O-CG1 3.3Å; R32-I36 WeakPolarHBondContact O-CG1 3.48Å; R32-I36 PolarHBondContact O-N 3.06Å; A33-I36 PolarHBondContact O-N 3.25Å; E34-I36 VanDerWaalsContact C-N 3.34Å; E34-I36 PolarHBondContact O-N 2.91Å; I36-H38 PolarHBondContact O-N 3.32Å; I36-F39 PolarHBondContact O-N 2.92Å; I36-R40 WeakPolarHBondContact O-CB 3.3Å; I36-R40 PolarHBondContact O-N 3.21Å; I36-T202 HydrophobicContact CD1-CG2 3.77Å; I36-T202 HydrophobicContact CG1-CG2 3.84Å; I36-V206 HydrophobicContact CB-CG2 4.41Å; I36-V206 HydrophobicContact CD1-CG2 4.37Å; I36-V206 HydrophobicContact CG1-CG2 4.05Å; I36-V206 HydrophobicContact CG2-CG1 4.32Å; I36-V206 HydrophobicContact CG2-CG2 3.66Å
37	R	97.8	Very high	96.4	Very high	117 Å²	117	66.5 Å²	66.5	44%	0.442	31%	0.313	S	S	.	.	H	α-helix	trans	-57.1	-49.6	178.6	-176.5	-173.8	62.8	93.5	-7.3	111.5	A33 E34 F39 R40 E41	A33-R37 PolarHBondContact O-N 3.43Å; E34-R37 WeakPolarHBondContact O-CB 3.49Å; E34-R37 PolarHBondContact O-N 3.23Å; R37-F39 PolarHBondContact O-N 2.89Å; R37-R40 PolarHBondContact O-N 2.91Å; R37-E41 WeakPolarHBondContact CG-OE1 3.38Å; R37-E41 IonicContact CZ-OE1 3.4Å; R37-E41 IonicContact NH1-OE1 3.44Å; R37-E41 PolarHBondContact NH1-OE1 2.86Å; R37-E41 IonicContact NH1-OE2 3.26Å; R37-E41 WeakPolarHBondContact O-CG 3.46Å; R37-E41 PolarHBondContact O-N 2.88Å
38	H	98	Very high	96.5	Very high	17 Å²	17	71.6 Å²	71.6	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-40.3	179.1	-72.1	-48	0	0	0	113.5	T22 R25 I26 S29 E34 I36 E41 F42	T22-H38 WeakPolarHBondContact CG2-O 3.41Å; R25-H38 HydrophobicContact CB-CB 4.42Å; I26-H38 HydrophobicContact CG1-CB 3.69Å; S29-H38 PolarHBondContact OG-CD2 3.47Å; S29-H38 VanDerWaalsContact OG-CD2 3.29Å; S29-H38 PolarHBondContact OG-NE2 3.06Å; E34-H38 PolarHBondContact O-CD2 2.61Å; E34-H38 VanDerWaalsContact O-CD2 3.27Å; E34-H38 PolarHBondContact O-N 2.93Å; E34-H38 VanDerWaalsContact O-N 3.11Å; E34-H38 IonicContact OE1-NE2 3.47Å; I36-H38 PolarHBondContact O-N 3.32Å; H38-E41 IonicContact ND1-OE2 2.72Å; H38-E41 PolarHBondContact ND1-OE2 2.86Å; H38-F42 PolarHBondContact O-N 3.04Å
39	F	98.2	Very high	96.6	Very high	3 Å²	3	68.5 Å²	68.5	1%	0.013	32%	0.321	C	S	.	.	H	α-helix	trans	-65.1	-42.9	174.6	176.2	-122	0	0	0	111.6	I26 K35 I36 R37 F42 L43 F64 M68 I71 I203 V206	I26-F39 HydrophobicContact CD1-CB 3.87Å; K35-F39 PolarHBondContact O-N 3.36Å; I36-F39 PolarHBondContact O-N 2.92Å; R37-F39 PolarHBondContact O-N 2.89Å; F39-F42 PolarHBondContact O-N 3.35Å; F39-L43 HydrophobicContact CE1-CD2 4.37Å; F39-L43 HydrophobicContact CZ-CD2 4.41Å; F39-L43 WeakPolarHBondContact O-CB 3.15Å; F39-L43 PolarHBondContact O-N 3.03Å; F39-F64 HydrophobicContact CE2-CE1 4.07Å; F39-F64 HydrophobicContact CE2-CZ 4.14Å; F39-F64 HydrophobicContact CZ-CE1 4.19Å; F39-M68 HydrophobicContact CZ-CE 4.37Å; F39-I71 HydrophobicContact CD2-CD1 4.32Å; F39-I71 HydrophobicContact CE2-CD1 3.76Å; F39-I203 HydrophobicContact CD1-CD1 3.99Å; F39-I203 HydrophobicContact CD2-CD1 4.49Å; F39-I203 HydrophobicContact CE1-CD1 4.29Å; F39-I203 HydrophobicContact CE1-CG2 3.89Å; F39-I203 HydrophobicContact CE2-CG2 4.37Å; F39-I203 HydrophobicContact CG-CD1 4.11Å; F39-I203 HydrophobicContact CZ-CG2 3.75Å; F39-V206 HydrophobicContact CD1-CB 3.95Å; F39-V206 HydrophobicContact CD1-CG1 3.58Å; F39-V206 HydrophobicContact CE1-CB 3.98Å; F39-V206 HydrophobicContact CE1-CG1 3.83Å
40	R	97.8	Very high	96.6	Very high	126 Å²	126	68.9 Å²	68.9	48%	0.475	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-43.1	179.1	-175.5	174.2	-63.6	-145.1	-3.2	112.2	I36 R37 F42 L43 D44 V206	I36-R40 WeakPolarHBondContact O-CB 3.3Å; I36-R40 PolarHBondContact O-N 3.21Å; R37-R40 PolarHBondContact O-N 2.91Å; R40-F42 VanDerWaalsContact C-N 3.3Å; R40-F42 PolarHBondContact O-N 3.26Å; R40-L43 PolarHBondContact O-N 3.02Å; R40-D44 VanDerWaalsContact CG-OD2 3.28Å; R40-D44 WeakPolarHBondContact CG-OD2 3.42Å; R40-D44 WeakPolarHBondContact O-CB 3.09Å; R40-D44 PolarHBondContact O-N 2.97Å; R40-V206 HydrophobicContact CB-CG1 4.38Å
41	E	98.1	Very high	96.8	Very high	81 Å²	81	61.8 Å²	61.8	38%	0.379	30%	0.303	S	S	.	.	H	α-helix	trans	-55.2	-45.2	175.8	-75.7	167.4	-180	0	0	112.2	R37 H38 S45	R37-E41 WeakPolarHBondContact CG-OE1 3.38Å; R37-E41 IonicContact CZ-OE1 3.4Å; R37-E41 IonicContact NH1-OE1 3.44Å; R37-E41 PolarHBondContact NH1-OE1 2.86Å; R37-E41 IonicContact NH1-OE2 3.26Å; R37-E41 WeakPolarHBondContact O-CG 3.46Å; R37-E41 PolarHBondContact O-N 2.88Å; H38-E41 IonicContact ND1-OE2 2.72Å; H38-E41 PolarHBondContact ND1-OE2 2.86Å; E41-S45 VanDerWaalsContact O-CB 3.3Å; E41-S45 WeakPolarHBondContact O-CB 3.46Å; E41-S45 PolarHBondContact O-N 3.24Å; E41-S45 VanDerWaalsContact O-N 3.1Å
42	F	98.6	Very high	96.9	Very high	20 Å²	20	63.4 Å²	63.4	9%	0.088	31%	0.313	C	S	.	.	H	α-helix	trans	-67.6	-43.7	177.3	-178.3	-97.7	0	0	0	112.1	V14 D18 L19 T22 H38 F39 R40 S45 W46 F64 A67 I145	V14-F42 HydrophobicContact CG1-CE2 4.26Å; V14-F42 HydrophobicContact CG1-CZ 4.29Å; D18-F42 HydrophobicContact CB-CE2 4.41Å; L19-F42 HydrophobicContact CB-CE2 4.45Å; L19-F42 HydrophobicContact CB-CZ 4.18Å; L19-F42 HydrophobicContact CD1-CE1 4.04Å; L19-F42 HydrophobicContact CD1-CZ 4.11Å; T22-F42 HydrophobicContact CG2-CB 3.71Å; T22-F42 HydrophobicContact CG2-CG 4.17Å; T22-F42 WeakPolarHBondContact OG1-CD2 3.38Å; H38-F42 PolarHBondContact O-N 3.04Å; F39-F42 PolarHBondContact O-N 3.35Å; R40-F42 VanDerWaalsContact C-N 3.3Å; R40-F42 PolarHBondContact O-N 3.26Å; F42-S45 PolarHBondContact O-N 3.3Å; F42-W46 HydrophobicContact CE1-CE3 4.02Å; F42-W46 HydrophobicContact CE1-CZ3 4.43Å; F42-W46 AromaticContact CZ-CE3 3.95Å; F42-W46 HydrophobicContact CZ-CE3 3.95Å; F42-W46 HydrophobicContact CZ-CZ3 4.17Å; F42-W46 WeakPolarHBondContact O-CB 3.27Å; F42-W46 PolarHBondContact O-N 3.15Å; F42-F64 HydrophobicContact CD1-CE2 4Å; F42-F64 AromaticContact CD1-CZ 3.94Å; F42-F64 HydrophobicContact CD1-CZ 3.94Å; F42-F64 AromaticContact CE1-CE2 3.73Å; F42-F64 HydrophobicContact CE1-CE2 3.73Å; F42-F64 AromaticContact CE1-CZ 3.86Å; F42-F64 HydrophobicContact CE1-CZ 3.86Å; F42-A67 HydrophobicContact CE1-CB 4.14Å; F42-I145 HydrophobicContact CZ-CD1 4.08Å
43	L	98.4	Very high	97	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-44.8	178.9	177.9	61.4	0	0	0	112.5	F39 R40 S45 W46 R47 F64 F207	F39-L43 HydrophobicContact CE1-CD2 4.37Å; F39-L43 HydrophobicContact CZ-CD2 4.41Å; F39-L43 WeakPolarHBondContact O-CB 3.15Å; F39-L43 PolarHBondContact O-N 3.03Å; R40-L43 PolarHBondContact O-N 3.02Å; L43-S45 VanDerWaalsContact C-N 3.33Å; L43-W46 WeakPolarHBondContact O-CB 3.35Å; L43-W46 PolarHBondContact O-N 2.97Å; L43-R47 PolarHBondContact O-N 3.38Å; L43-F64 HydrophobicContact CD1-CD1 3.94Å; L43-F64 HydrophobicContact CD1-CD2 3.82Å; L43-F64 HydrophobicContact CD1-CE1 4.01Å; L43-F64 HydrophobicContact CD1-CE2 3.89Å; L43-F64 HydrophobicContact CD1-CG 3.85Å; L43-F64 HydrophobicContact CD1-CZ 3.98Å; L43-F207 HydrophobicContact CD1-CD2 3.78Å; L43-F207 HydrophobicContact CD1-CE2 3.99Å; L43-F207 HydrophobicContact CD2-CB 4.45Å; L43-F207 HydrophobicContact CD2-CD2 3.98Å
44	D	97.8	Very high	97	Very high	64 Å²	64	54 Å²	54	34%	0.342	26%	0.264	S	S	.	.	H	α-helix	trans	-67.8	-37.5	-179.7	-66.9	-11.9	0	0	0	110.8	R40 W46 R47 K48	R40-D44 VanDerWaalsContact CG-OD2 3.28Å; R40-D44 WeakPolarHBondContact CG-OD2 3.42Å; R40-D44 WeakPolarHBondContact O-CB 3.09Å; R40-D44 PolarHBondContact O-N 2.97Å; D44-W46 VanDerWaalsContact C-N 3.34Å; D44-R47 PolarHBondContact O-N 3.01Å; D44-K48 WeakPolarHBondContact O-CB 3.33Å; D44-K48 VanDerWaalsContact O-CG 3.29Å; D44-K48 WeakPolarHBondContact O-CG 3.31Å; D44-K48 PolarHBondContact O-N 3.23Å
45	S	98.2	Very high	96.6	Very high	76 Å²	76	58.5 Å²	58.5	53%	0.531	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-41.9	171.8	-172.9	0	0	0	0	111.6	E41 F42 L43 F49	E41-S45 VanDerWaalsContact O-CB 3.3Å; E41-S45 WeakPolarHBondContact O-CB 3.46Å; E41-S45 PolarHBondContact O-N 3.24Å; E41-S45 VanDerWaalsContact O-N 3.1Å; F42-S45 PolarHBondContact O-N 3.3Å; L43-S45 VanDerWaalsContact C-N 3.33Å; S45-F49 WeakPolarHBondContact O-CB 3.45Å; S45-F49 PolarHBondContact O-N 3.39Å; S45-F49 VanDerWaalsContact O-N 3.11Å
46	W	98.4	Very high	96	Very high	7 Å²	7	65.1 Å²	65.1	3%	0.027	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-48.6	176.4	-172.8	-68.3	0	0	0	111.9	V10 A11 V14 F42 L43 D44 F49 H50 F64 A67 I145	V10-W46 HydrophobicContact CB-CD2 4.41Å; V10-W46 HydrophobicContact CB-CZ2 3.81Å; V10-W46 HydrophobicContact CG1-CD2 3.49Å; V10-W46 VanDerWaalsContact CG1-CD2 3.49Å; V10-W46 HydrophobicContact CG1-CE3 3.95Å; V10-W46 HydrophobicContact CG1-CG 3.94Å; V10-W46 HydrophobicContact CG1-CH2 4.06Å; V10-W46 HydrophobicContact CG1-CZ2 3.62Å; V10-W46 HydrophobicContact CG1-CZ3 4.21Å; A11-W46 HydrophobicContact CB-CH2 3.93Å; A11-W46 HydrophobicContact CB-CZ2 4.27Å; V14-W46 HydrophobicContact CB-CZ3 4.13Å; V14-W46 HydrophobicContact CG1-CZ3 4.24Å; V14-W46 HydrophobicContact CG2-CE3 4.1Å; V14-W46 HydrophobicContact CG2-CZ3 4.01Å; F42-W46 HydrophobicContact CE1-CE3 4.02Å; F42-W46 HydrophobicContact CE1-CZ3 4.43Å; F42-W46 AromaticContact CZ-CE3 3.95Å; F42-W46 HydrophobicContact CZ-CE3 3.95Å; F42-W46 HydrophobicContact CZ-CZ3 4.17Å; F42-W46 WeakPolarHBondContact O-CB 3.27Å; F42-W46 PolarHBondContact O-N 3.15Å; L43-W46 WeakPolarHBondContact O-CB 3.35Å; L43-W46 PolarHBondContact O-N 2.97Å; D44-W46 VanDerWaalsContact C-N 3.34Å; W46-F49 PolarHBondContact O-N 2.88Å; W46-H50 WeakPolarHBondContact O-CB 3.46Å; W46-H50 PolarHBondContact O-N 2.89Å; W46-F64 HydrophobicContact CB-CD2 4.01Å; W46-F64 HydrophobicContact CB-CE2 3.99Å; W46-F64 AromaticContact CD1-CD2 3.71Å; W46-F64 AromaticContact CD2-CD2 3.48Å; W46-F64 HydrophobicContact CD2-CD2 3.48Å; W46-F64 VanDerWaalsContact CD2-CD2 3.48Å; W46-F64 AromaticContact CD2-CE2 3.75Å; W46-F64 HydrophobicContact CD2-CE2 3.75Å; W46-F64 AromaticContact CE2-CD2 3.74Å; W46-F64 HydrophobicContact CE3-CD2 4.02Å; W46-F64 AromaticContact CE3-CE2 3.85Å; W46-F64 HydrophobicContact CE3-CE2 3.85Å; W46-F64 AromaticContact CG-CD2 3.47Å; W46-F64 HydrophobicContact CG-CD2 3.47Å; W46-F64 VanDerWaalsContact CG-CD2 3.47Å; W46-F64 AromaticContact CG-CE2 3.84Å; W46-F64 HydrophobicContact CG-CE2 3.84Å; W46-F64 HydrophobicContact CZ2-CD2 4.47Å; W46-F64 AromaticContact NE1-CD2 3.87Å; W46-A67 HydrophobicContact CE3-CB 4.28Å; W46-A67 HydrophobicContact CH2-CB 3.95Å; W46-A67 HydrophobicContact CZ3-CB 3.74Å; W46-I145 HydrophobicContact CH2-CD1 4.31Å; W46-I145 HydrophobicContact CH2-CG2 4.49Å; W46-I145 HydrophobicContact CZ3-CD1 3.68Å
47	R	97.3	Very high	95.4	Very high	25 Å²	25	67.6 Å²	67.6	9%	0.094	33%	0.329	C	S	.	.	H	α-helix	trans	-60.4	-47.9	179.5	-77.3	175.6	163.8	147.3	-3.1	111.9	L43 D44 F49 H50 D51 F207 H229	L43-R47 PolarHBondContact O-N 3.38Å; D44-R47 PolarHBondContact O-N 3.01Å; R47-F49 VanDerWaalsContact C-N 3.26Å; R47-F49 PolarHBondContact O-N 3.49Å; R47-H50 WeakPolarHBondContact O-CB 3.24Å; R47-H50 PolarHBondContact O-N 3.17Å; R47-H50 VanDerWaalsContact O-N 3.11Å; R47-D51 PolarHBondContact O-N 2.91Å; R47-F207 PolarHBondContact NH1-O 3.39Å; R47-F207 PolarHBondContact NH2-O 3.35Å; R47-H229 PolarHBondContact NE-O 2.94Å; R47-H229 VanDerWaalsContact NE-O 3.07Å; R47-H229 PolarHBondContact NH2-O 3.41Å; R47-H229 VanDerWaalsContact NH2-O 3.15Å
48	K	97.1	Very high	94.2	Very high	154 Å²	154	71.2 Å²	71.2	67%	0.67	35%	0.348	S	S	*	.	H	α-helix	trans	-57.8	-39.6	176.1	-72.5	173.3	-177.1	179	0	112.7	D44 A52	D44-K48 WeakPolarHBondContact O-CB 3.33Å; D44-K48 VanDerWaalsContact O-CG 3.29Å; D44-K48 WeakPolarHBondContact O-CG 3.31Å; D44-K48 PolarHBondContact O-N 3.23Å; K48-A52 WeakPolarHBondContact O-CB 3.39Å; K48-A52 PolarHBondContact O-N 3.37Å
49	F	97.3	Very high	93.2	Very high	79 Å²	79	78 Å²	78	35%	0.346	39%	0.385	S	S	.	.	H	α-helix	trans	-73.2	-36.3	177.5	-174.6	-101	0	0	0	112.3	V10 H13 S45 W46 R47 A52 L53	V10-F49 HydrophobicContact CB-CD1 4.17Å; V10-F49 HydrophobicContact CG1-CD1 3.69Å; V10-F49 HydrophobicContact CG1-CE1 4.28Å; V10-F49 HydrophobicContact CG2-CD1 3.83Å; V10-F49 HydrophobicContact CG2-CE1 4.33Å; H13-F49 HydrophobicContact CB-CE1 3.72Å; H13-F49 HydrophobicContact CB-CZ 3.81Å; S45-F49 WeakPolarHBondContact O-CB 3.45Å; S45-F49 PolarHBondContact O-N 3.39Å; S45-F49 VanDerWaalsContact O-N 3.11Å; W46-F49 PolarHBondContact O-N 2.88Å; R47-F49 VanDerWaalsContact C-N 3.26Å; R47-F49 PolarHBondContact O-N 3.49Å; F49-A52 PolarHBondContact O-N 2.89Å; F49-L53 HydrophobicContact CE1-CB 4.46Å; F49-L53 HydrophobicContact CE1-CD2 4.1Å; F49-L53 VanDerWaalsContact O-CB 3.26Å; F49-L53 WeakPolarHBondContact O-CB 3.36Å; F49-L53 PolarHBondContact O-N 3.1Å
50	H	96.1	Very high	92.8	Very high	15 Å²	15	80.1 Å²	80.1	7%	0.069	40%	0.398	C	S	.	.	H	α-helix	trans	-57.7	-51.3	172.3	-179.4	-81	0	0	0	111.2	V10 W46 R47 A52 L53 H54 D62 H229	V10-H50 HydrophobicContact CG2-CB 3.72Å; W46-H50 WeakPolarHBondContact O-CB 3.46Å; W46-H50 PolarHBondContact O-N 2.89Å; R47-H50 WeakPolarHBondContact O-CB 3.24Å; R47-H50 PolarHBondContact O-N 3.17Å; R47-H50 VanDerWaalsContact O-N 3.11Å; H50-A52 VanDerWaalsContact C-N 3.27Å; H50-A52 PolarHBondContact O-N 2.87Å; H50-L53 PolarHBondContact O-N 3.25Å; H50-H54 AromaticContact CD2-CD2 3.57Å; H50-H54 AromaticContact CD2-NE2 4Å; H50-H54 AromaticContact CE1-CD2 3.93Å; H50-H54 AromaticContact CG-CD2 3.83Å; H50-H54 AromaticContact NE2-CD2 3.65Å; H50-H54 WeakPolarHBondContact O-CB 3.44Å; H50-H54 PolarHBondContact O-CD2 2.69Å; H50-H54 PolarHBondContact O-N 2.61Å; H50-D62 IonicContact CD2-OD2 2.76Å; H50-D62 PolarHBondContact NE2-O 3.29Å; H50-H229 AromaticContact CD2-CE1 3.6Å; H50-H229 AromaticContact CE1-CE1 3.39Å; H50-H229 PolarHBondContact CE1-CE1 3.21Å; H50-H229 AromaticContact CE1-NE2 3.39Å; H50-H229 PolarHBondContact CE1-NE2 3.27Å; H50-H229 AromaticContact CG-CE1 3.43Å; H50-H229 VanDerWaalsContact CG-CE1 3.43Å; H50-H229 AromaticContact CG-NE2 3.77Å; H50-H229 AromaticContact ND1-CE1 3.33Å; H50-H229 PolarHBondContact ND1-CE1 2.91Å; H50-H229 VanDerWaalsContact ND1-CE1 3.33Å; H50-H229 AromaticContact ND1-NE2 3.21Å; H50-H229 PolarHBondContact ND1-NE2 3.23Å; H50-H229 AromaticContact NE2-CE1 3.55Å
51	D	94.2	Very high	92.5	Very high	98 Å²	98	79 Å²	79	52%	0.524	41%	0.405	S	S	.	.	H	α-helix	trans	-57.9	-40.8	177.8	-66.1	-33.1	0	0	0	111.8	R47 K55	R47-D51 PolarHBondContact O-N 2.91Å; D51-K55 PolarHBondContact O-N 3.1Å
52	A	94.6	Very high	92.4	Very high	69 Å²	69	76.1 Å²	76.1	57%	0.57	39%	0.392	S	S	*	.	H	α-helix	trans	-69.2	-41.7	178.5	0	0	0	0	0	112.7	K48 F49 H50	K48-A52 WeakPolarHBondContact O-CB 3.39Å; K48-A52 PolarHBondContact O-N 3.37Å; F49-A52 PolarHBondContact O-N 2.89Å; H50-A52 VanDerWaalsContact C-N 3.27Å; H50-A52 PolarHBondContact O-N 2.87Å
53	L	94.5	Very high	92.3	Very high	34 Å²	34	75.3 Å²	75.3	18%	0.178	39%	0.389	C	S	.	.	H	α-helix	trans	-69	-38.2	-178.8	-175.1	64.7	0	0	0	111.7	Q8 V10 F49 H50	Q8-L53 HydrophobicContact CB-CD1 4.36Å; Q8-L53 HydrophobicContact CB-CD2 4.42Å; V10-L53 HydrophobicContact CG2-CD2 4.05Å; F49-L53 HydrophobicContact CE1-CB 4.46Å; F49-L53 HydrophobicContact CE1-CD2 4.1Å; F49-L53 VanDerWaalsContact O-CB 3.26Å; F49-L53 WeakPolarHBondContact O-CB 3.36Å; F49-L53 PolarHBondContact O-N 3.1Å; H50-L53 PolarHBondContact O-N 3.25Å
54	H	93.4	Very high	92.3	Very high	12 Å²	12	75.4 Å²	75.4	6%	0.056	39%	0.39	C	S	.	.	H	α-helix	trans	-104.8	9.2	-170.9	-65.7	-68.1	0	0	0	115	Q8 H50 N56 Q57 V60 D62	Q8-H54 PolarHBondContact O-CE1 3.23Å; Q8-H54 VanDerWaalsContact O-CE1 3.24Å; H50-H54 AromaticContact CD2-CD2 3.57Å; H50-H54 AromaticContact CD2-NE2 4Å; H50-H54 AromaticContact CE1-CD2 3.93Å; H50-H54 AromaticContact CG-CD2 3.83Å; H50-H54 AromaticContact NE2-CD2 3.65Å; H50-H54 WeakPolarHBondContact O-CB 3.44Å; H50-H54 PolarHBondContact O-CD2 2.69Å; H50-H54 PolarHBondContact O-N 2.61Å; H54-N56 PolarHBondContact O-N 3.12Å; H54-Q57 PolarHBondContact ND1-OE1 2.77Å; H54-Q57 PolarHBondContact O-N 2.94Å; H54-V60 HydrophobicContact CB-CG1 4.33Å; H54-V60 HydrophobicContact CB-CG2 3.87Å; H54-D62 IonicContact NE2-OD2 3.32Å; H54-D62 PolarHBondContact NE2-OD2 3.37Å
55	K	87.8	Confident	92.3	Very high	173 Å²	173	73.3 Å²	73.3	75%	0.752	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.1	-32.2	-174.7	-169	175.8	-178.8	178.6	0	116	D51	D51-K55 PolarHBondContact O-N 3.1Å
56	N	85	Confident	92.3	Very high	157 Å²	157	70.8 Å²	70.8	84%	0.84	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	7.9	-176.2	-61.7	-31.5	0	0	0	114.1	H54	H54-N56 PolarHBondContact O-N 3.12Å
57	Q	85.1	Confident	92.3	Very high	92 Å²	92	70.5 Å²	70.5	43%	0.43	36%	0.358	S	S	.	.			trans	-102.3	132.5	-178.6	-66.3	-180	4.3	0	0	110.1	H54 V60	H54-Q57 PolarHBondContact ND1-OE1 2.77Å; H54-Q57 PolarHBondContact O-N 2.94Å; Q57-V60 HydrophobicContact CB-CG2 3.6Å
58	K	72.9	Confident	92.4	Very high	193 Å²	193	69.3 Å²	69.3	84%	0.839	35%	0.354	S	S	*	.	S	Bend	trans	-94.4	147.4	169.3	-64.2	-175	179.2	-176.7	0	108.6
59	D	77.3	Confident	92.4	Very high	160 Å²	160	62.6 Å²	62.6	86%	0.856	32%	0.324	S	S	*	.	S	Bend	trans	60.1	49.1	176	-52.8	-42.5	0	0	0	115.1	T61	D59-T61 PolarHBondContact O-N 3.2Å
60	V	88.6	Confident	92.5	Very high	46 Å²	46	59 Å²	59	28%	0.279	31%	0.308	S	S	.	.			trans	-73.9	122.8	178.9	178.8	0	0	0	0	110.5	H54 Q57 D62	H54-V60 HydrophobicContact CB-CG1 4.33Å; H54-V60 HydrophobicContact CB-CG2 3.87Å; Q57-V60 HydrophobicContact CB-CG2 3.6Å; V60-D62 HydrophobicContact CG1-CB 3.84Å
61	T	91.4	Very high	92.6	Very high	104 Å²	104	58.6 Å²	58.6	64%	0.638	31%	0.306	S	S	*	.			trans	-90.4	-12.4	174.7	56.5	0	0	0	0	113.3	D59	D59-T61 PolarHBondContact O-N 3.2Å
62	D	95.5	Very high	92.8	Very high	19 Å²	19	54.2 Å²	54.2	10%	0.102	28%	0.283	C	S	.	.			trans	-62.2	140	177.1	-171.4	36.9	0	0	0	111.4	V10 H50 H54 V60	V10-D62 WeakPolarHBondContact CG2-OD2 3.39Å; V10-D62 PolarHBondContact N-OD2 3.42Å; H50-D62 IonicContact CD2-OD2 2.76Å; H50-D62 PolarHBondContact NE2-O 3.29Å; H54-D62 IonicContact NE2-OD2 3.32Å; H54-D62 PolarHBondContact NE2-OD2 3.37Å; V60-D62 HydrophobicContact CG1-CB 3.84Å
63	S	96.7	Very high	92.9	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.028	26%	0.257	C	S	.	.			trans	-153.6	-177.3	-174.1	74	0	0	0	0	111.5	Y65 P66	S63-Y65 PolarHBondContact O-N 2.81Å; S63-Y65 WeakPolarHBondContact OG-CB 3.46Å; S63-Y65 PolarHBondContact OG-N 2.8Å; S63-P66 WeakPolarHBondContact O-CD 3.34Å
64	F	98.4	Very high	92.8	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	26%	0.264	C	S	.	.	S	Bend	trans	-73.3	-0.4	175.3	-165.9	-112.6	0	0	0	113.7	F39 F42 L43 W46 A67 M68 I71 F207	F39-F64 HydrophobicContact CE2-CE1 4.07Å; F39-F64 HydrophobicContact CE2-CZ 4.14Å; F39-F64 HydrophobicContact CZ-CE1 4.19Å; F42-F64 HydrophobicContact CD1-CE2 4Å; F42-F64 AromaticContact CD1-CZ 3.94Å; F42-F64 HydrophobicContact CD1-CZ 3.94Å; F42-F64 AromaticContact CE1-CE2 3.73Å; F42-F64 HydrophobicContact CE1-CE2 3.73Å; F42-F64 AromaticContact CE1-CZ 3.86Å; F42-F64 HydrophobicContact CE1-CZ 3.86Å; L43-F64 HydrophobicContact CD1-CD1 3.94Å; L43-F64 HydrophobicContact CD1-CD2 3.82Å; L43-F64 HydrophobicContact CD1-CE1 4.01Å; L43-F64 HydrophobicContact CD1-CE2 3.89Å; L43-F64 HydrophobicContact CD1-CG 3.85Å; L43-F64 HydrophobicContact CD1-CZ 3.98Å; W46-F64 HydrophobicContact CB-CD2 4.01Å; W46-F64 HydrophobicContact CB-CE2 3.99Å; W46-F64 AromaticContact CD1-CD2 3.71Å; W46-F64 AromaticContact CD2-CD2 3.48Å; W46-F64 HydrophobicContact CD2-CD2 3.48Å; W46-F64 VanDerWaalsContact CD2-CD2 3.48Å; W46-F64 AromaticContact CD2-CE2 3.75Å; W46-F64 HydrophobicContact CD2-CE2 3.75Å; W46-F64 AromaticContact CE2-CD2 3.74Å; W46-F64 HydrophobicContact CE3-CD2 4.02Å; W46-F64 AromaticContact CE3-CE2 3.85Å; W46-F64 HydrophobicContact CE3-CE2 3.85Å; W46-F64 AromaticContact CG-CD2 3.47Å; W46-F64 HydrophobicContact CG-CD2 3.47Å; W46-F64 VanDerWaalsContact CG-CD2 3.47Å; W46-F64 AromaticContact CG-CE2 3.84Å; W46-F64 HydrophobicContact CG-CE2 3.84Å; W46-F64 HydrophobicContact CZ2-CD2 4.47Å; W46-F64 AromaticContact NE1-CD2 3.87Å; F64-A67 HydrophobicContact CD2-CB 4.17Å; F64-A67 HydrophobicContact CE1-CB 4.28Å; F64-A67 HydrophobicContact CE2-CB 3.75Å; F64-A67 HydrophobicContact CZ-CB 3.8Å; F64-A67 PolarHBondContact O-N 3.47Å; F64-M68 HydrophobicContact CD1-CB 3.91Å; F64-M68 HydrophobicContact CD1-CE 3.86Å; F64-M68 HydrophobicContact CE1-CB 4.25Å; F64-M68 HydrophobicContact CE1-CE 3.96Å; F64-M68 WeakPolarHBondContact O-CB 3.35Å; F64-M68 PolarHBondContact O-N 3.46Å; F64-I71 HydrophobicContact CE1-CD1 4.14Å; F64-I71 HydrophobicContact CZ-CD1 4.06Å; F64-F207 HydrophobicContact CB-CE2 3.75Å; F64-F207 HydrophobicContact CB-CZ 4.39Å; F64-F207 AromaticContact CD1-CD2 4Å; F64-F207 HydrophobicContact CD1-CD2 4Å; F64-F207 AromaticContact CD1-CE2 3.87Å; F64-F207 HydrophobicContact CD1-CE2 3.87Å; F64-F207 HydrophobicContact CG-CE2 4.07Å
65	Y	98.4	Very high	92.9	Very high	20 Å²	20	52.8 Å²	52.8	8%	0.078	26%	0.264	C	S	.	.	H	α-helix	trans	-53.1	-46.4	-175.1	174.5	-116.2	0	0	0	114.7	S63 A67 M68 R69 E78 L221 E222	S63-Y65 PolarHBondContact O-N 2.81Å; S63-Y65 WeakPolarHBondContact OG-CB 3.46Å; S63-Y65 PolarHBondContact OG-N 2.8Å; Y65-A67 PolarHBondContact O-N 3.28Å; Y65-M68 PolarHBondContact O-N 3.48Å; Y65-M68 VanDerWaalsContact O-N 3.13Å; Y65-R69 HydrophobicContact CD2-CB 4.31Å; Y65-R69 HydrophobicContact CE2-CB 3.87Å; Y65-R69 WeakPolarHBondContact O-CG 3.4Å; Y65-R69 PolarHBondContact O-N 3.19Å; Y65-R69 PolarHBondContact OH-NE 2.9Å; Y65-R69 PolarHBondContact OH-NH1 2.98Å; Y65-R69 PolarHBondContact OH-NH2 3.19Å; Y65-R69 VanDerWaalsContact OH-NH2 3.15Å; Y65-E78 PolarHBondContact OH-OE2 2.72Å; Y65-E78 VanDerWaalsContact OH-OE2 3.08Å; Y65-L221 HydrophobicContact CD2-CB 3.9Å; Y65-L221 HydrophobicContact CE2-CB 3.79Å; Y65-E222 HydrophobicContact CD1-CB 3.97Å; Y65-E222 HydrophobicContact CD1-CG 3.86Å; Y65-E222 VanDerWaalsContact CD2-CA 3.4Å; Y65-E222 HydrophobicContact CD2-CB 3.71Å; Y65-E222 HydrophobicContact CD2-CG 4.37Å; Y65-E222 VanDerWaalsContact CD2-N 3.35Å; Y65-E222 HydrophobicContact CE1-CB 4.09Å; Y65-E222 HydrophobicContact CE1-CG 4.26Å; Y65-E222 HydrophobicContact CE2-CB 3.83Å; Y65-E222 HydrophobicContact CG-CB 3.78Å; Y65-E222 HydrophobicContact CG-CG 3.92Å
66	P	98.4	Very high	93.2	Very high	24 Å²	24	44.7 Å²	44.7	16%	0.156	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-31.1	-178.3	-26.6	37.6	0	0	0	113.8	A11 S63 L70 I145 N149	A11-P66 HydrophobicContact CB-CB 3.58Å; A11-P66 HydrophobicContact CB-CG 3.74Å; S63-P66 WeakPolarHBondContact O-CD 3.34Å; P66-L70 WeakPolarHBondContact O-CG 3.45Å; P66-I145 HydrophobicContact CB-CG2 3.94Å; P66-N149 PolarHBondContact O-ND2 3.07Å
67	A	98.6	Very high	93.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-82.2	-45.6	172.3	0	0	0	0	0	111.5	F42 W46 F64 Y65 R69 L70 I71	F42-A67 HydrophobicContact CE1-CB 4.14Å; W46-A67 HydrophobicContact CE3-CB 4.28Å; W46-A67 HydrophobicContact CH2-CB 3.95Å; W46-A67 HydrophobicContact CZ3-CB 3.74Å; F64-A67 HydrophobicContact CD2-CB 4.17Å; F64-A67 HydrophobicContact CE1-CB 4.28Å; F64-A67 HydrophobicContact CE2-CB 3.75Å; F64-A67 HydrophobicContact CZ-CB 3.8Å; F64-A67 PolarHBondContact O-N 3.47Å; Y65-A67 PolarHBondContact O-N 3.28Å; A67-R69 VanDerWaalsContact C-N 3.31Å; A67-R69 PolarHBondContact O-N 3.1Å; A67-L70 WeakPolarHBondContact O-CB 3.49Å; A67-L70 PolarHBondContact O-N 3Å; A67-I71 WeakPolarHBondContact O-CG1 3.39Å; A67-I71 PolarHBondContact O-N 3.4Å
68	M	98.4	Very high	93.9	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-58.1	-40.8	-177.7	-172.7	61.6	83.4	0	0	112.4	F39 F64 Y65 L70 I71 L72 I203 F207 L221	F39-M68 HydrophobicContact CZ-CE 4.37Å; F64-M68 HydrophobicContact CD1-CB 3.91Å; F64-M68 HydrophobicContact CD1-CE 3.86Å; F64-M68 HydrophobicContact CE1-CB 4.25Å; F64-M68 HydrophobicContact CE1-CE 3.96Å; F64-M68 WeakPolarHBondContact O-CB 3.35Å; F64-M68 PolarHBondContact O-N 3.46Å; Y65-M68 PolarHBondContact O-N 3.48Å; Y65-M68 VanDerWaalsContact O-N 3.13Å; M68-L70 PolarHBondContact O-N 3.48Å; M68-I71 PolarHBondContact O-N 2.92Å; M68-I71 VanDerWaalsContact O-N 3.15Å; M68-L72 HydrophobicContact CG-CD1 4.45Å; M68-L72 PolarHBondContact O-N 3.29Å; M68-L72 HydrophobicContact SD-CD1 3.61Å; M68-L72 HydrophobicContact SD-CG 4.06Å; M68-I203 HydrophobicContact CE-CG2 4.21Å; M68-I203 HydrophobicContact SD-CG2 3.88Å; M68-F207 HydrophobicContact CE-CB 3.85Å; M68-F207 HydrophobicContact CE-CD1 4.38Å; M68-F207 HydrophobicContact CE-CD2 3.73Å; M68-F207 HydrophobicContact CE-CE2 4.44Å; M68-F207 HydrophobicContact CE-CG 3.71Å; M68-L221 HydrophobicContact CG-CD1 4.25Å; M68-L221 HydrophobicContact CG-CD2 4.12Å
69	R	98.1	Very high	94.8	Very high	13 Å²	13	32 Å²	32	5%	0.049	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-25.6	177.7	74.5	-172	-65.3	175.6	13.8	113.6	Y65 A67 P73 E76 E78 N149	Y65-R69 HydrophobicContact CD2-CB 4.31Å; Y65-R69 HydrophobicContact CE2-CB 3.87Å; Y65-R69 WeakPolarHBondContact O-CG 3.4Å; Y65-R69 PolarHBondContact O-N 3.19Å; Y65-R69 PolarHBondContact OH-NE 2.9Å; Y65-R69 PolarHBondContact OH-NH1 2.98Å; Y65-R69 PolarHBondContact OH-NH2 3.19Å; Y65-R69 VanDerWaalsContact OH-NH2 3.15Å; A67-R69 VanDerWaalsContact C-N 3.31Å; A67-R69 PolarHBondContact O-N 3.1Å; R69-P73 WeakPolarHBondContact O-CA 3.46Å; R69-E76 WeakPolarHBondContact CB-OE2 3.44Å; R69-E76 IonicContact CZ-OE1 3.84Å; R69-E76 IonicContact CZ-OE2 3.49Å; R69-E76 VanDerWaalsContact CZ-OE2 3.25Å; R69-E76 IonicContact NE-OE2 2.62Å; R69-E76 PolarHBondContact NE-OE2 2.66Å; R69-E76 IonicContact NH2-OE1 2.71Å; R69-E76 PolarHBondContact NH2-OE1 3.1Å; R69-E76 IonicContact NH2-OE2 3.63Å; R69-E76 PolarHBondContact NH2-OE2 3.47Å; R69-E78 IonicContact CZ-OE2 2.7Å; R69-E78 IonicContact NH1-OE2 2.65Å; R69-E78 PolarHBondContact NH1-OE2 3.01Å; R69-E78 IonicContact NH2-OE2 3.5Å; R69-E78 PolarHBondContact NH2-OE2 3.33Å; R69-N149 VanDerWaalsContact CD-OD1 3.22Å; R69-N149 WeakPolarHBondContact CD-OD1 3.49Å
70	L	98.4	Very high	95.3	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-84.5	-29.2	173.8	-60.9	-179.5	0	0	0	112.4	F16 L19 P66 A67 M68 P73 I145 V148 L152 M189 L194	F16-L70 HydrophobicContact CD2-CD1 4.45Å; F16-L70 HydrophobicContact CE2-CD1 4.15Å; L19-L70 HydrophobicContact CD2-CB 4.03Å; L19-L70 HydrophobicContact CD2-CD1 3.89Å; P66-L70 WeakPolarHBondContact O-CG 3.45Å; A67-L70 WeakPolarHBondContact O-CB 3.49Å; A67-L70 PolarHBondContact O-N 3Å; M68-L70 PolarHBondContact O-N 3.48Å; L70-P73 WeakPolarHBondContact O-CD 3.44Å; L70-I145 HydrophobicContact CD1-CG2 4.09Å; L70-V148 HydrophobicContact CD1-CG1 4.2Å; L70-L152 HydrophobicContact CD2-CD1 3.78Å; L70-M189 HydrophobicContact CB-CE 3.93Å; L70-M189 HydrophobicContact CB-CG 4.47Å; L70-M189 HydrophobicContact CB-SD 3.96Å; L70-M189 HydrophobicContact CD1-SD 4.39Å; L70-M189 HydrophobicContact CD2-SD 4.02Å; L70-M189 HydrophobicContact CG-SD 4.35Å; L70-L194 WeakPolarHBondContact O-CD2 3.31Å
71	I	98.4	Very high	95.4	Very high	7 Å²	7	30.2 Å²	30.2	4%	0.036	16%	0.161	C	C	.	.	H	α-helix	trans	-77	-35	175.9	-63.2	169.7	0	0	0	111.2	L19 L23 F39 F64 A67 M68 P73 L194 L196 I203	L19-I71 HydrophobicContact CD1-CD1 3.97Å; L19-I71 HydrophobicContact CD1-CG1 3.89Å; L23-I71 HydrophobicContact CD2-CG1 4.32Å; F39-I71 HydrophobicContact CD2-CD1 4.32Å; F39-I71 HydrophobicContact CE2-CD1 3.76Å; F64-I71 HydrophobicContact CE1-CD1 4.14Å; F64-I71 HydrophobicContact CZ-CD1 4.06Å; A67-I71 WeakPolarHBondContact O-CG1 3.39Å; A67-I71 PolarHBondContact O-N 3.4Å; M68-I71 PolarHBondContact O-N 2.92Å; M68-I71 VanDerWaalsContact O-N 3.15Å; I71-P73 WeakPolarHBondContact O-CD 3.27Å; I71-L194 WeakPolarHBondContact O-CD2 3.21Å; I71-L196 HydrophobicContact CG2-CD1 4.44Å; I71-I203 HydrophobicContact CG2-CG2 4.2Å
72	L	97.8	Very high	95.4	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.031	13%	0.133	C	C	.	.	S	Bend	trans	-121.8	57.8	179.3	-59.5	178.3	0	0	0	111.6	M68 Q74 L75 Q200 I203 L204 L221	M68-L72 HydrophobicContact CG-CD1 4.45Å; M68-L72 PolarHBondContact O-N 3.29Å; M68-L72 HydrophobicContact SD-CD1 3.61Å; M68-L72 HydrophobicContact SD-CG 4.06Å; L72-Q74 VanDerWaalsContact C-OE1 3.29Å; L72-Q74 PolarHBondContact O-N 3.42Å; L72-Q74 VanDerWaalsContact O-N 3.1Å; L72-L75 HydrophobicContact CB-CB 4.39Å; L72-L75 HydrophobicContact CB-CD1 4.09Å; L72-L75 HydrophobicContact CB-CG 4.31Å; L72-L75 HydrophobicContact CD1-CD1 3.9Å; L72-L75 WeakPolarHBondContact O-CB 3.11Å; L72-L75 PolarHBondContact O-N 3.06Å; L72-Q200 HydrophobicContact CD2-CB 3.86Å; L72-I203 HydrophobicContact CD1-CB 4.36Å; L72-I203 HydrophobicContact CD1-CG2 3.93Å; L72-I203 HydrophobicContact CD2-CB 4.26Å; L72-I203 HydrophobicContact CD2-CG1 4.28Å; L72-I203 HydrophobicContact CD2-CG2 4.29Å; L72-I203 HydrophobicContact CG-CG2 4.2Å; L72-L204 HydrophobicContact CD1-CD2 4.16Å; L72-L204 HydrophobicContact CD1-CG 4.27Å; L72-L221 HydrophobicContact CB-CD1 4.27Å; L72-L221 HydrophobicContact CD1-CD2 4.47Å
73	P	96.9	Very high	95	Very high	4 Å²	4	26.9 Å²	26.9	3%	0.026	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-66.9	-17.6	-171.7	32.3	-40.5	0	0	0	114	R69 L70 I71 L75 E76 K192 L194	R69-P73 WeakPolarHBondContact O-CA 3.46Å; L70-P73 WeakPolarHBondContact O-CD 3.44Å; I71-P73 WeakPolarHBondContact O-CD 3.27Å; P73-L75 PolarHBondContact O-N 3.48Å; P73-E76 WeakPolarHBondContact O-CB 3.43Å; P73-E76 PolarHBondContact O-N 2.92Å; P73-K192 HydrophobicContact CB-CB 4.25Å; P73-K192 HydrophobicContact CB-CG 4.16Å; P73-K192 HydrophobicContact CG-CB 4.26Å; P73-K192 VanDerWaalsContact O-CD 3.31Å; P73-K192 WeakPolarHBondContact O-CD 3.32Å; P73-L194 HydrophobicContact CG-CD1 3.33Å
74	Q	93.6	Very high	94.6	Very high	71 Å²	71	27.4 Å²	27.4	33%	0.332	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-68.2	-21.8	171.2	74.3	-75.3	-1.5	0	0	113	L72 R77	L72-Q74 VanDerWaalsContact C-OE1 3.29Å; L72-Q74 PolarHBondContact O-N 3.42Å; L72-Q74 VanDerWaalsContact O-N 3.1Å; Q74-R77 PolarHBondContact O-NH1 3.09Å
75	L	95.5	Very high	94.1	Very high	10 Å²	10	34.5 Å²	34.5	5%	0.052	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-92.5	2.3	176.2	-59.2	-176.7	0	0	0	112.7	L72 P73 R77 L221	L72-L75 HydrophobicContact CB-CB 4.39Å; L72-L75 HydrophobicContact CB-CD1 4.09Å; L72-L75 HydrophobicContact CB-CG 4.31Å; L72-L75 HydrophobicContact CD1-CD1 3.9Å; L72-L75 WeakPolarHBondContact O-CB 3.11Å; L72-L75 PolarHBondContact O-N 3.06Å; P73-L75 PolarHBondContact O-N 3.48Å; L75-R77 PolarHBondContact O-N 2.95Å; L75-L221 HydrophobicContact CB-CD1 3.75Å; L75-L221 HydrophobicContact CB-CD2 4.3Å; L75-L221 HydrophobicContact CB-CG 3.97Å; L75-L221 HydrophobicContact CD1-CD2 4.06Å
76	E	94.3	Very high	93.8	Very high	4 Å²	4	35 Å²	35	2%	0.019	19%	0.185	C	C	.	.			trans	-61.4	128.7	174.1	179	55.8	-109.9	0	0	111.7	R69 P73 E78 R79	R69-E76 WeakPolarHBondContact CB-OE2 3.44Å; R69-E76 IonicContact CZ-OE1 3.84Å; R69-E76 IonicContact CZ-OE2 3.49Å; R69-E76 VanDerWaalsContact CZ-OE2 3.25Å; R69-E76 IonicContact NE-OE2 2.62Å; R69-E76 PolarHBondContact NE-OE2 2.66Å; R69-E76 IonicContact NH2-OE1 2.71Å; R69-E76 PolarHBondContact NH2-OE1 3.1Å; R69-E76 IonicContact NH2-OE2 3.63Å; R69-E76 PolarHBondContact NH2-OE2 3.47Å; P73-E76 WeakPolarHBondContact O-CB 3.43Å; P73-E76 PolarHBondContact O-N 2.92Å; E76-E78 PolarHBondContact OE1-N 2.95Å; E76-R79 HydrophobicContact CG-CB 3.71Å; E76-R79 PolarHBondContact OE1-N 3.17Å
77	R	92	Very high	93.4	Very high	52 Å²	52	37.5 Å²	37.5	20%	0.196	20%	0.2	C	C	.	.			trans	-132.9	-25	-178.7	-68.3	-61.7	175.9	-78.2	-3.9	114.3	Q74 L75 T219 N294	Q74-R77 PolarHBondContact O-NH1 3.09Å; L75-R77 PolarHBondContact O-N 2.95Å; R77-T219 HydrophobicContact CG-CG2 4.47Å; R77-N294 PolarHBondContact NE-O 3.33Å; R77-N294 PolarHBondContact NH2-O 3.35Å
78	E	91.3	Very high	92.9	Very high	112 Å²	112	42.1 Å²	42.1	52%	0.523	22%	0.223	S	C	.	.	S	Bend	trans	-69.9	-45.6	174.8	-175	-164.9	-166.3	0	0	109.4	Y65 R69 E76	Y65-E78 PolarHBondContact OH-OE2 2.72Å; Y65-E78 VanDerWaalsContact OH-OE2 3.08Å; R69-E78 IonicContact CZ-OE2 2.7Å; R69-E78 IonicContact NH1-OE2 2.65Å; R69-E78 PolarHBondContact NH1-OE2 3.01Å; R69-E78 IonicContact NH2-OE2 3.5Å; R69-E78 PolarHBondContact NH2-OE2 3.33Å; E76-E78 PolarHBondContact OE1-N 2.95Å
79	R	91.9	Very high	92.5	Very high	10 Å²	10	42.2 Å²	42.2	4%	0.038	22%	0.223	C	C	.	.	S	Bend	trans	-84.4	124.5	-178.7	-164.3	-179.2	-64.5	147.3	1.5	112.1	E76 Y82 N149 L152 D153 A156	E76-R79 HydrophobicContact CG-CB 3.71Å; E76-R79 PolarHBondContact OE1-N 3.17Å; R79-Y82 WeakPolarHBondContact CD-OH 3.38Å; R79-Y82 HydrophobicContact CG-CE1 4.28Å; R79-Y82 PolarHBondContact NH1-OH 2.97Å; R79-N149 PolarHBondContact NH2-O 2.83Å; R79-N149 VanDerWaalsContact NH2-O 3.12Å; R79-N149 PolarHBondContact NH2-OD1 2.81Å; R79-L152 WeakPolarHBondContact CD-O 3.47Å; R79-D153 IonicContact CZ-OD1 2.82Å; R79-D153 VanDerWaalsContact CZ-OD1 3.31Å; R79-D153 IonicContact CZ-OD2 2.83Å; R79-D153 IonicContact NE-OD1 3.49Å; R79-D153 PolarHBondContact NE-OD1 3.4Å; R79-D153 IonicContact NE-OD2 2.83Å; R79-D153 VanDerWaalsContact NH2-CG 3.27Å; R79-D153 IonicContact NH2-OD1 2.53Å; R79-D153 PolarHBondContact NH2-OD1 2.92Å; R79-D153 VanDerWaalsContact NH2-OD1 3.14Å; R79-D153 IonicContact NH2-OD2 3.82Å; R79-D153 PolarHBondContact NH2-OD2 3.33Å; R79-A156 HydrophobicContact CG-CB 3.3Å
80	M	88.9	Confident	92.2	Very high	101 Å²	101	41.6 Å²	41.6	50%	0.498	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-63.3	169.8	174.2	-65.1	-57.5	108.8	0	0	112.5	Y82 A156	M80-Y82 PolarHBondContact O-N 3.18Å; M80-A156 WeakPolarHBondContact O-CB 3.46Å
81	A	90.4	Very high	91.9	Very high	68 Å²	68	47.8 Å²	47.8	56%	0.562	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-62	135.5	179.7	0	0	0	0	0	111.5	G83 N159	A81-G83 PolarHBondContact O-N 2.83Å; A81-N159 PolarHBondContact O-ND2 3.1Å
82	Y	90.7	Very high	91.3	Very high	12 Å²	12	48 Å²	48	5%	0.047	25%	0.249	C	C	.	.			trans	-67.9	-21.9	178.4	-58.9	-65	0	0	0	114	R79 M80 I84 L152 V155 A156 N159 I190	R79-Y82 WeakPolarHBondContact CD-OH 3.38Å; R79-Y82 HydrophobicContact CG-CE1 4.28Å; R79-Y82 PolarHBondContact NH1-OH 2.97Å; M80-Y82 PolarHBondContact O-N 3.18Å; Y82-I84 PolarHBondContact O-N 3.18Å; Y82-L152 HydrophobicContact CE1-CB 3.95Å; Y82-L152 HydrophobicContact CE1-CD2 4.01Å; Y82-L152 WeakPolarHBondContact CE1-O 3.32Å; Y82-V155 HydrophobicContact CD1-CB 4.28Å; Y82-V155 HydrophobicContact CD1-CG1 3.77Å; Y82-V155 HydrophobicContact CG-CG1 4.42Å; Y82-A156 HydrophobicContact CD1-CB 4.04Å; Y82-A156 HydrophobicContact CE1-CB 4.26Å; Y82-N159 WeakPolarHBondContact O-CB 3.38Å; Y82-N159 VanDerWaalsContact O-CG 3.25Å; Y82-I190 HydrophobicContact CD2-CG2 4.16Å; Y82-I190 WeakPolarHBondContact CD2-O 3.36Å; Y82-I190 HydrophobicContact CG-CG2 4.48Å
83	G	87.9	Confident	90.9	Very high	42 Å²	42	48.1 Å²	48.1	43%	0.433	25%	0.249	S	C	.	.			trans	68.6	10.5	-172.7	0	0	0	0	0	114.2	A81 N159	A81-G83 PolarHBondContact O-N 2.83Å; G83-N159 PolarHBondContact N-ND2 3.06Å
84	I	88.5	Confident	90.7	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.072	25%	0.252	C	S	.	.			trans	-103.9	134.5	-175.8	-62.3	167.2	0	0	0	110	Y82 M88 L89 V155 I167 L171 I190	Y82-I84 PolarHBondContact O-N 3.18Å; I84-M88 HydrophobicContact CB-SD 4.36Å; I84-M88 HydrophobicContact CG1-SD 3.86Å; I84-M88 HydrophobicContact CG2-SD 4.44Å; I84-L89 HydrophobicContact CG2-CD1 4.02Å; I84-L89 HydrophobicContact CG2-CD2 3.67Å; I84-L89 HydrophobicContact CG2-CG 3.49Å; I84-L89 VanDerWaalsContact CG2-CG 3.49Å; I84-V155 HydrophobicContact CD1-CG1 3.5Å; I84-V155 VanDerWaalsContact CD1-CG1 3.5Å; I84-I167 HydrophobicContact CD1-CG2 4.28Å; I84-L171 HydrophobicContact CD1-CD1 3.69Å; I84-L171 HydrophobicContact CD1-CD2 3.96Å; I84-L171 HydrophobicContact CD1-CG 4.27Å; I84-I190 HydrophobicContact CB-CG2 3.92Å; I84-I190 HydrophobicContact CD1-CG2 4.31Å; I84-I190 HydrophobicContact CG2-CG2 3.86Å
85	K	88.3	Confident	90.4	Very high	151 Å²	151	50.3 Å²	50.3	66%	0.657	26%	0.259	S	S	*	.			trans	-128.2	171.6	171	-68.1	-167.9	177.3	-178.9	0	110.4	T87 M88 L89	K85-T87 VanDerWaalsContact C-N 3.28Å; K85-T87 PolarHBondContact O-N 2.83Å; K85-M88 WeakPolarHBondContact O-CB 3.18Å; K85-M88 PolarHBondContact O-N 3.44Å; K85-L89 PolarHBondContact O-N 2.83Å; K85-L89 VanDerWaalsContact O-N 3.1Å
86	E	91.5	Very high	89.8	Confident	31 Å²	31	52.6 Å²	52.6	15%	0.145	27%	0.271	C	S	.	.	H	α-helix	trans	-52.2	-43	-177.1	-59.6	97	128.9	0	0	112.5	M88 L89 A90 Y112 F125 I191	E86-M88 VanDerWaalsContact C-N 3.32Å; E86-M88 PolarHBondContact O-N 3.12Å; E86-L89 PolarHBondContact O-N 2.9Å; E86-A90 WeakPolarHBondContact O-CB 3.41Å; E86-A90 PolarHBondContact O-N 3.27Å; E86-Y112 HydrophobicContact CB-CD1 4.3Å; E86-Y112 HydrophobicContact CB-CE1 3.79Å; E86-Y112 HydrophobicContact CG-CE1 4.15Å; E86-Y112 PolarHBondContact OE1-OH 2.8Å; E86-F125 HydrophobicContact CB-CB 4.19Å; E86-F125 HydrophobicContact CB-CD1 4.15Å; E86-F125 HydrophobicContact CB-CD2 4.03Å; E86-F125 HydrophobicContact CB-CG 3.83Å; E86-F125 HydrophobicContact CG-CB 3.75Å; E86-F125 HydrophobicContact CG-CD1 4.08Å; E86-F125 HydrophobicContact CG-CG 3.85Å; E86-I191 HydrophobicContact CG-CD1 4.04Å
87	T	89.6	Confident	89.3	Confident	77 Å²	77	54.3 Å²	54.3	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-34.8	178.6	-49.7	0	0	0	0	113.2	K85 K91	K85-T87 VanDerWaalsContact C-N 3.28Å; K85-T87 PolarHBondContact O-N 2.83Å; T87-K91 WeakPolarHBondContact O-CG 3.5Å; T87-K91 PolarHBondContact O-N 3.42Å
88	M	87.9	Confident	89.2	Confident	96 Å²	96	58.7 Å²	58.7	47%	0.473	31%	0.308	S	S	.	.	H	α-helix	trans	-71.9	-44.1	177.1	-175.6	-178	-70.4	0	0	110.4	I84 K85 E86 A90 K91 L92	I84-M88 HydrophobicContact CB-SD 4.36Å; I84-M88 HydrophobicContact CG1-SD 3.86Å; I84-M88 HydrophobicContact CG2-SD 4.44Å; K85-M88 WeakPolarHBondContact O-CB 3.18Å; K85-M88 PolarHBondContact O-N 3.44Å; E86-M88 VanDerWaalsContact C-N 3.32Å; E86-M88 PolarHBondContact O-N 3.12Å; M88-A90 VanDerWaalsContact C-N 3.32Å; M88-A90 PolarHBondContact O-N 2.96Å; M88-K91 PolarHBondContact O-N 2.77Å; M88-L92 PolarHBondContact O-N 2.89Å
89	L	90.7	Very high	89.2	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-42.7	174.6	-70.1	172.4	0	0	0	111.4	I84 K85 E86 K91 L92 Y93 F125 I187 I191	I84-L89 HydrophobicContact CG2-CD1 4.02Å; I84-L89 HydrophobicContact CG2-CD2 3.67Å; I84-L89 HydrophobicContact CG2-CG 3.49Å; I84-L89 VanDerWaalsContact CG2-CG 3.49Å; K85-L89 PolarHBondContact O-N 2.83Å; K85-L89 VanDerWaalsContact O-N 3.1Å; E86-L89 PolarHBondContact O-N 2.9Å; L89-K91 PolarHBondContact O-N 3.49Å; L89-L92 PolarHBondContact O-N 3.32Å; L89-Y93 HydrophobicContact CB-CD2 4.48Å; L89-Y93 VanDerWaalsContact O-CD2 3.23Å; L89-Y93 WeakPolarHBondContact O-CD2 3.35Å; L89-Y93 PolarHBondContact O-N 2.81Å; L89-F125 HydrophobicContact CB-CE1 3.54Å; L89-F125 HydrophobicContact CB-CZ 3.68Å; L89-F125 HydrophobicContact CD1-CD1 4.45Å; L89-F125 HydrophobicContact CD1-CE1 3.88Å; L89-F125 HydrophobicContact CG-CE1 4.37Å; L89-I187 HydrophobicContact CD1-CG1 4.42Å; L89-I187 HydrophobicContact CD1-CG2 4.06Å; L89-I191 HydrophobicContact CD1-CD1 4.23Å; L89-I191 HydrophobicContact CD1-CG1 4.41Å
90	A	92.4	Very high	89.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.5	-50.7	176.3	0	0	0	0	0	111.6	E86 M88 L92 Y93 I94 L109 L110 F125	E86-A90 WeakPolarHBondContact O-CB 3.41Å; E86-A90 PolarHBondContact O-N 3.27Å; M88-A90 VanDerWaalsContact C-N 3.32Å; M88-A90 PolarHBondContact O-N 2.96Å; A90-L92 VanDerWaalsContact C-N 3.31Å; A90-L92 PolarHBondContact O-N 2.88Å; A90-Y93 PolarHBondContact O-N 2.64Å; A90-I94 WeakPolarHBondContact O-CD1 3.34Å; A90-I94 WeakPolarHBondContact O-CG1 3.36Å; A90-I94 PolarHBondContact O-N 2.69Å; A90-L109 HydrophobicContact CB-CB 3.91Å; A90-L110 HydrophobicContact CB-CD2 3.99Å; A90-L110 HydrophobicContact CB-CG 4.48Å; A90-F125 HydrophobicContact CB-CE2 3.89Å; A90-F125 HydrophobicContact CB-CZ 4.2Å
91	K	90.5	Very high	89.2	Confident	132 Å²	132	62.6 Å²	62.6	57%	0.574	33%	0.325	S	S	*	.	H	α-helix	trans	-60.2	-41.8	177.7	-72.4	178	180	-175.8	0	111.9	T87 M88 L89 I94 E95 L110	T87-K91 WeakPolarHBondContact O-CG 3.5Å; T87-K91 PolarHBondContact O-N 3.42Å; M88-K91 PolarHBondContact O-N 2.77Å; L89-K91 PolarHBondContact O-N 3.49Å; K91-I94 PolarHBondContact O-N 2.72Å; K91-E95 WeakPolarHBondContact O-CB 3.3Å; K91-E95 PolarHBondContact O-N 3.03Å; K91-L110 HydrophobicContact CG-CD2 3.99Å
92	L	86.4	Confident	89.3	Confident	11 Å²	11	66.4 Å²	66.4	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-65.3	-46.6	178.5	-171.9	67.5	0	0	0	111.3	M88 L89 A90 I94 E95 L96 K168 L171 I175	M88-L92 PolarHBondContact O-N 2.89Å; L89-L92 PolarHBondContact O-N 3.32Å; A90-L92 VanDerWaalsContact C-N 3.31Å; A90-L92 PolarHBondContact O-N 2.88Å; L92-I94 VanDerWaalsContact C-N 3.3Å; L92-I94 PolarHBondContact O-N 3.13Å; L92-E95 PolarHBondContact O-N 2.79Å; L92-L96 HydrophobicContact CD1-CD1 4.1Å; L92-L96 HydrophobicContact CD1-CG 4.14Å; L92-L96 HydrophobicContact CD2-CD1 4.32Å; L92-L96 HydrophobicContact CG-CD1 3.8Å; L92-L96 HydrophobicContact CG-CG 4.15Å; L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.47Å; L92-L96 PolarHBondContact O-N 2.92Å; L92-K168 HydrophobicContact CD1-CG 4.17Å; L92-L171 HydrophobicContact CD2-CB 3.59Å; L92-L171 HydrophobicContact CD2-CD1 3.5Å; L92-L171 VanDerWaalsContact CD2-CD1 3.5Å; L92-L171 HydrophobicContact CD2-CG 4.16Å; L92-I175 HydrophobicContact CD2-CD1 4.16Å
93	Y	90.3	Very high	89.2	Confident	8 Å²	8	66.8 Å²	66.8	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-61.5	-37.8	176.5	-85	-63	0	0	0	112.9	L89 A90 L97 L133 I175 Q183 I187	L89-Y93 HydrophobicContact CB-CD2 4.48Å; L89-Y93 VanDerWaalsContact O-CD2 3.23Å; L89-Y93 WeakPolarHBondContact O-CD2 3.35Å; L89-Y93 PolarHBondContact O-N 2.81Å; A90-Y93 PolarHBondContact O-N 2.64Å; Y93-L97 HydrophobicContact CD1-CD1 4.13Å; Y93-L97 HydrophobicContact CD1-CG 4.45Å; Y93-L97 VanDerWaalsContact O-CB 3.24Å; Y93-L97 WeakPolarHBondContact O-CB 3.5Å; Y93-L97 VanDerWaalsContact O-CG 3.31Å; Y93-L97 WeakPolarHBondContact O-CG 3.35Å; Y93-L97 PolarHBondContact O-N 2.85Å; Y93-L133 HydrophobicContact CD1-CD2 3.98Å; Y93-L133 HydrophobicContact CE1-CD1 3.91Å; Y93-L133 HydrophobicContact CE1-CD2 3.76Å; Y93-L133 HydrophobicContact CE1-CG 4.35Å; Y93-I175 HydrophobicContact CD1-CD1 4.31Å; Y93-I175 HydrophobicContact CE1-CD1 3.75Å; Y93-I175 HydrophobicContact CE1-CG1 3.96Å; Y93-I175 HydrophobicContact CE1-CG2 4.07Å; Y93-Q183 PolarHBondContact OH-OE1 2.75Å; Y93-I187 HydrophobicContact CE2-CD1 3.73Å; Y93-I187 HydrophobicContact CE2-CG1 4.16Å
94	I	92.3	Very high	89.3	Confident	16 Å²	16	72.6 Å²	72.6	8%	0.082	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-45.2	174.9	-69.7	162	0	0	0	110.8	A90 K91 L92 N98 L99 A106 L109 L110	A90-I94 WeakPolarHBondContact O-CD1 3.34Å; A90-I94 WeakPolarHBondContact O-CG1 3.36Å; A90-I94 PolarHBondContact O-N 2.69Å; K91-I94 PolarHBondContact O-N 2.72Å; L92-I94 VanDerWaalsContact C-N 3.3Å; L92-I94 PolarHBondContact O-N 3.13Å; I94-N98 WeakPolarHBondContact O-CA 3.22Å; I94-N98 PolarHBondContact O-N 3.17Å; I94-L99 HydrophobicContact CG1-CD1 4.22Å; I94-L99 HydrophobicContact CG2-CB 4.33Å; I94-L99 PolarHBondContact O-N 2.99Å; I94-A106 HydrophobicContact CD1-CB 3.74Å; I94-A106 HydrophobicContact CG1-CB 3.75Å; I94-A106 HydrophobicContact CG2-CB 4.29Å; I94-L109 HydrophobicContact CG1-CD1 4.2Å; I94-L110 HydrophobicContact CD1-CD1 3.84Å; I94-L110 HydrophobicContact CD1-CD2 4.14Å; I94-L110 HydrophobicContact CD1-CG 3.71Å
95	E	87.6	Confident	89.5	Confident	106 Å²	106	74.1 Å²	74.1	50%	0.495	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-49.2	177.6	-172.3	178.7	174.1	0	0	111.2	K91 L92 N98 K168	K91-E95 WeakPolarHBondContact O-CB 3.3Å; K91-E95 PolarHBondContact O-N 3.03Å; L92-E95 PolarHBondContact O-N 2.79Å; E95-N98 PolarHBondContact O-N 3.06Å; E95-K168 IonicContact OE1-NZ 3.38Å; E95-K168 PolarHBondContact OE1-NZ 3.09Å; E95-K168 VanDerWaalsContact OE1-NZ 3.17Å; E95-K168 IonicContact OE2-NZ 3.67Å; E95-K168 PolarHBondContact OE2-NZ 3.08Å
96	L	81.6	Confident	89.7	Confident	58 Å²	58	67 Å²	67	30%	0.304	33%	0.334	S	S	.	.	H	α-helix	trans	-74.1	-37.9	-173.2	-66.4	-175.3	0	0	0	114.3	L92 N98 L172 I175	L92-L96 HydrophobicContact CD1-CD1 4.1Å; L92-L96 HydrophobicContact CD1-CG 4.14Å; L92-L96 HydrophobicContact CD2-CD1 4.32Å; L92-L96 HydrophobicContact CG-CD1 3.8Å; L92-L96 HydrophobicContact CG-CG 4.15Å; L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.47Å; L92-L96 PolarHBondContact O-N 2.92Å; L96-N98 PolarHBondContact O-N 2.68Å; L96-L172 HydrophobicContact CD1-CD1 3.66Å; L96-L172 HydrophobicContact CD2-CD1 3.48Å; L96-L172 VanDerWaalsContact CD2-CD1 3.48Å; L96-L172 HydrophobicContact CG-CD1 4.1Å; L96-I175 HydrophobicContact CD1-CB 4.45Å; L96-I175 HydrophobicContact CD1-CD1 3.54Å; L96-I175 HydrophobicContact CD1-CG2 4.35Å
97	L	84.8	Confident	89.6	Confident	40 Å²	40	69.1 Å²	69.1	21%	0.209	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	3	176.3	-58.1	172.6	0	0	0	111.9	Y93 L99 V132 L133	Y93-L97 HydrophobicContact CD1-CD1 4.13Å; Y93-L97 HydrophobicContact CD1-CG 4.45Å; Y93-L97 VanDerWaalsContact O-CB 3.24Å; Y93-L97 WeakPolarHBondContact O-CB 3.5Å; Y93-L97 VanDerWaalsContact O-CG 3.31Å; Y93-L97 WeakPolarHBondContact O-CG 3.35Å; Y93-L97 PolarHBondContact O-N 2.85Å; L97-L99 HydrophobicContact CB-CD1 4.5Å; L97-L99 HydrophobicContact CB-CD2 3.84Å; L97-L99 HydrophobicContact CB-CG 3.84Å; L97-L99 HydrophobicContact CD1-CD1 4.36Å; L97-L99 PolarHBondContact O-N 2.9Å; L97-V132 HydrophobicContact CD1-CG1 4.38Å; L97-L133 HydrophobicContact CD1-CD2 3.67Å; L97-L133 HydrophobicContact CD2-CD2 4.05Å; L97-L133 HydrophobicContact CG-CD2 4.38Å
98	N	88.8	Confident	89.6	Confident	143 Å²	143	67.6 Å²	67.6	77%	0.765	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	46.9	-174.1	-166.8	30.4	0	0	0	112.3	I94 E95 L96	I94-N98 WeakPolarHBondContact O-CA 3.22Å; I94-N98 PolarHBondContact O-N 3.17Å; E95-N98 PolarHBondContact O-N 3.06Å; L96-N98 PolarHBondContact O-N 2.68Å
99	L	91.9	Very high	89.8	Confident	9 Å²	9	63.1 Å²	63.1	5%	0.047	31%	0.311	C	S	.	.			trans	-71.2	139.5	179.4	-57	-179.5	0	0	0	109.2	I94 L97 R101 D105 A106 L109 V132	I94-L99 HydrophobicContact CG1-CD1 4.22Å; I94-L99 HydrophobicContact CG2-CB 4.33Å; I94-L99 PolarHBondContact O-N 2.99Å; L97-L99 HydrophobicContact CB-CD1 4.5Å; L97-L99 HydrophobicContact CB-CD2 3.84Å; L97-L99 HydrophobicContact CB-CG 3.84Å; L97-L99 HydrophobicContact CD1-CD1 4.36Å; L97-L99 PolarHBondContact O-N 2.9Å; L99-R101 PolarHBondContact O-N 2.94Å; L99-R101 VanDerWaalsContact O-N 3.15Å; L99-D105 HydrophobicContact CD1-CB 4.18Å; L99-A106 HydrophobicContact CB-CB 4.31Å; L99-L109 HydrophobicContact CD1-CD1 3.86Å; L99-V132 HydrophobicContact CD1-CG1 3.98Å
100	P	92.9	Very high	89.8	Confident	95 Å²	95	65.6 Å²	65.6	62%	0.617	32%	0.324	S	S	*	.			trans	-54	124.6	170.5	-23.3	32.6	0	0	0	109.5	D102 G103 A106	P100-D102 PolarHBondContact O-N 2.78Å; P100-G103 WeakPolarHBondContact O-CA 3.37Å; P100-G103 PolarHBondContact O-N 3.4Å; P100-A106 WeakPolarHBondContact O-CB 3.35Å
101	R	89.1	Confident	89.6	Confident	202 Å²	202	69.6 Å²	69.6	76%	0.762	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.7	-171	-67.5	-172	178.1	-139.2	-0.3	113	L99 A106	L99-R101 PolarHBondContact O-N 2.94Å; L99-R101 VanDerWaalsContact O-N 3.15Å; R101-A106 WeakPolarHBondContact O-CB 3.41Å
102	D	90.6	Very high	89.5	Confident	148 Å²	148	64 Å²	64	79%	0.791	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	7.7	177.1	-53.4	-50.2	0	0	0	112.6	P100	P100-D102 PolarHBondContact O-N 2.78Å
103	G	90	Very high	89.4	Confident	20 Å²	20	67.3 Å²	67.3	21%	0.206	33%	0.333	C	S	.	.	S	Bend	trans	-73.3	156.8	178.9	0	0	0	0	0	112.8	P100 D105 A106 L107	P100-G103 WeakPolarHBondContact O-CA 3.37Å; P100-G103 PolarHBondContact O-N 3.4Å; G103-D105 VanDerWaalsContact C-N 3.3Å; G103-D105 PolarHBondContact O-N 2.97Å; G103-A106 PolarHBondContact O-N 3.45Å; G103-L107 PolarHBondContact O-N 2.97Å
104	K	90.4	Very high	89	Confident	163 Å²	163	69.4 Å²	69.4	71%	0.709	35%	0.346	S	S	*	.	H	α-helix	trans	-52.3	-44	-178.2	-172.9	178.9	179.8	178.9	0	113.2	K108	K104-K108 VanDerWaalsContact O-CB 3.25Å; K104-K108 WeakPolarHBondContact O-CB 3.22Å; K104-K108 PolarHBondContact O-N 3.44Å
105	D	91.1	Very high	88.3	Confident	47 Å²	47	71.3 Å²	71.3	25%	0.251	36%	0.36	S	S	.	.	H	α-helix	trans	-70.5	-40.2	-178.1	-71	-19.3	0	0	0	112.5	L99 G103 K108 L109 V132 R136	L99-D105 HydrophobicContact CD1-CB 4.18Å; G103-D105 VanDerWaalsContact C-N 3.3Å; G103-D105 PolarHBondContact O-N 2.97Å; D105-K108 PolarHBondContact O-N 3.13Å; D105-L109 WeakPolarHBondContact O-CG 3.46Å; D105-L109 PolarHBondContact O-N 3.26Å; D105-V132 HydrophobicContact CB-CG1 4.01Å; D105-V132 HydrophobicContact CB-CG2 4.09Å; D105-R136 IonicContact OD2-CZ 3.93Å; D105-R136 IonicContact OD2-NH1 3.89Å; D105-R136 PolarHBondContact OD2-NH1 3.11Å; D105-R136 IonicContact OD2-NH2 3.74Å; D105-R136 PolarHBondContact OD2-NH2 3.07Å
106	A	92.6	Very high	87.3	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-64.1	-46.9	176.6	0	0	0	0	0	111.4	I94 L99 P100 R101 G103 K108 L109 L110	I94-A106 HydrophobicContact CD1-CB 3.74Å; I94-A106 HydrophobicContact CG1-CB 3.75Å; I94-A106 HydrophobicContact CG2-CB 4.29Å; L99-A106 HydrophobicContact CB-CB 4.31Å; P100-A106 WeakPolarHBondContact O-CB 3.35Å; R101-A106 WeakPolarHBondContact O-CB 3.41Å; G103-A106 PolarHBondContact O-N 3.45Å; A106-K108 VanDerWaalsContact C-N 3.31Å; A106-K108 PolarHBondContact O-N 2.91Å; A106-L109 PolarHBondContact O-N 3.26Å; A106-L110 WeakPolarHBondContact O-CG 3.24Å; A106-L110 PolarHBondContact O-N 2.93Å
107	L	89.8	Confident	86.2	Confident	77 Å²	77	69.6 Å²	69.6	40%	0.403	37%	0.37	S	S	.	.	H	α-helix	trans	-63.7	-36	175.8	-67.9	176.4	0	0	0	112.1	G103 N111	G103-L107 PolarHBondContact O-N 2.97Å; L107-N111 VanDerWaalsContact O-CB 3.28Å; L107-N111 WeakPolarHBondContact O-CB 3.47Å; L107-N111 PolarHBondContact O-N 2.75Å; L107-N111 PolarHBondContact O-ND2 3.33Å; L107-N111 VanDerWaalsContact O-ND2 3.12Å
108	K	89.5	Confident	84.6	Confident	44 Å²	44	74.1 Å²	74.1	19%	0.191	40%	0.399	C	S	.	.	H	α-helix	trans	-66.5	-39	176	-167	-179.8	-176.7	-173.2	0	112.2	K104 D105 A106 N111 Y112 I128	K104-K108 VanDerWaalsContact O-CB 3.25Å; K104-K108 WeakPolarHBondContact O-CB 3.22Å; K104-K108 PolarHBondContact O-N 3.44Å; D105-K108 PolarHBondContact O-N 3.13Å; A106-K108 VanDerWaalsContact C-N 3.31Å; A106-K108 PolarHBondContact O-N 2.91Å; K108-N111 CarbonylContact O-C 3.53Å; K108-Y112 WeakPolarHBondContact O-CA 3.31Å; K108-Y112 PolarHBondContact O-N 2.8Å; K108-Y112 VanDerWaalsContact O-N 3.14Å; K108-I128 HydrophobicContact CD-CG2 4.12Å; K108-I128 HydrophobicContact CG-CG2 3.82Å
109	L	91.6	Very high	82.9	Confident	2 Å²	2	74 Å²	74	1%	0.01	39%	0.394	C	S	.	.	H	α-helix	trans	-67.3	-45	175	-72.9	169.8	0	0	0	112.1	A90 I94 L99 D105 A106 F125 I128 A129 V132	A90-L109 HydrophobicContact CB-CB 3.91Å; I94-L109 HydrophobicContact CG1-CD1 4.2Å; L99-L109 HydrophobicContact CD1-CD1 3.86Å; D105-L109 WeakPolarHBondContact O-CG 3.46Å; D105-L109 PolarHBondContact O-N 3.26Å; A106-L109 PolarHBondContact O-N 3.26Å; L109-F125 HydrophobicContact CB-CE2 4.5Å; L109-F125 HydrophobicContact CD2-CE2 3.96Å; L109-F125 HydrophobicContact CD2-CZ 4.32Å; L109-I128 HydrophobicContact CD2-CG2 4.27Å; L109-A129 HydrophobicContact CD2-CB 3.95Å; L109-V132 HydrophobicContact CD1-CG1 4.36Å; L109-V132 HydrophobicContact CG-CG2 4.43Å
110	L	90.9	Very high	81.4	Confident	57 Å²	57	76.8 Å²	76.8	30%	0.298	43%	0.425	S	S	.	.	H	α-helix	trans	-67.4	-38.2	179.9	-70	168.9	0	0	0	112.1	A90 K91 I94 A106	A90-L110 HydrophobicContact CB-CD2 3.99Å; A90-L110 HydrophobicContact CB-CG 4.48Å; K91-L110 HydrophobicContact CG-CD2 3.99Å; I94-L110 HydrophobicContact CD1-CD1 3.84Å; I94-L110 HydrophobicContact CD1-CD2 4.14Å; I94-L110 HydrophobicContact CD1-CG 3.71Å; A106-L110 WeakPolarHBondContact O-CG 3.24Å; A106-L110 PolarHBondContact O-N 2.93Å
111	N	88.8	Confident	80.7	Confident	84 Å²	84	73.6 Å²	73.6	45%	0.449	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	42.7	-177.6	-54.8	-57.3	0	0	0	111.9	L107 K108 R113 T114	L107-N111 VanDerWaalsContact O-CB 3.28Å; L107-N111 WeakPolarHBondContact O-CB 3.47Å; L107-N111 PolarHBondContact O-N 2.75Å; L107-N111 PolarHBondContact O-ND2 3.33Å; L107-N111 VanDerWaalsContact O-ND2 3.12Å; K108-N111 CarbonylContact O-C 3.53Å; N111-R113 PolarHBondContact O-N 2.87Å; N111-T114 WeakPolarHBondContact O-CB 3.45Å; N111-T114 PolarHBondContact O-N 3.11Å
112	Y	87.7	Confident	80.3	Confident	15 Å²	15	64.7 Å²	64.7	6%	0.059	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.8	-171.7	80.6	-84.4	0	0	0	115.7	E86 K108 G123 F125 I128	E86-Y112 HydrophobicContact CB-CD1 4.3Å; E86-Y112 HydrophobicContact CB-CE1 3.79Å; E86-Y112 HydrophobicContact CG-CE1 4.15Å; E86-Y112 PolarHBondContact OE1-OH 2.8Å; K108-Y112 WeakPolarHBondContact O-CA 3.31Å; K108-Y112 PolarHBondContact O-N 2.8Å; K108-Y112 VanDerWaalsContact O-N 3.14Å; Y112-G123 PolarHBondContact O-N 3.34Å; Y112-F125 HydrophobicContact CD1-CD2 4.22Å; Y112-F125 HydrophobicContact CD2-CB 3.7Å; Y112-F125 HydrophobicContact CE2-CB 3.96Å; Y112-F125 HydrophobicContact CG-CB 4.02Å; Y112-F125 AromaticContact CG-CD2 3.98Å; Y112-F125 HydrophobicContact CG-CD2 3.98Å; Y112-F125 HydrophobicContact CG-CG 4.49Å; Y112-I128 WeakPolarHBondContact O-CD1 3.21Å
113	R	85.8	Confident	79.9	Confident	80 Å²	80	57.9 Å²	57.9	30%	0.302	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-25.9	178	-65.8	174.6	-73.4	132.1	8.9	112.3	N111 W471 K473 E546	N111-R113 PolarHBondContact O-N 2.87Å; R113-W471 HydrophobicContact CB-CB 3.85Å; R113-W471 WeakPolarHBondContact O-CB 3.07Å; R113-K473 HydrophobicContact CG-CB 4.48Å; R113-E546 IonicContact CZ-OE1 3.74Å; R113-E546 IonicContact NH1-OE1 2.76Å; R113-E546 PolarHBondContact NH1-OE1 3.36Å; R113-E546 IonicContact NH2-OE1 3.77Å; R113-E546 PolarHBondContact NH2-OE1 3.38Å
114	T	81.9	Confident	79.9	Confident	51 Å²	51	58 Å²	58	31%	0.313	33%	0.333	S	S	.	.	S	Bend	trans	-73.8	126.4	178.9	-52.1	0	0	0	0	109.6	N111 T116	N111-T114 WeakPolarHBondContact O-CB 3.45Å; N111-T114 PolarHBondContact O-N 3.11Å; T114-T116 HydrophobicContact CG2-CG2 4.23Å; T114-T116 PolarHBondContact O-N 3.25Å; T114-T116 VanDerWaalsContact O-N 3.15Å
115	P	76.9	Confident	80	Confident	57 Å²	57	50.6 Å²	50.6	37%	0.37	30%	0.301	S	S	.	.			trans	-71.2	110.5	177.4	27.6	-31.5	0	0	0	110.2	A122 W471	P115-A122 HydrophobicContact CB-CB 4.05Å; P115-W471 HydrophobicContact CG-CD2 4.44Å; P115-W471 HydrophobicContact CG-CE3 4.19Å; P115-W471 HydrophobicContact CG-CH2 3.78Å; P115-W471 HydrophobicContact CG-CZ2 4.03Å; P115-W471 HydrophobicContact CG-CZ3 3.86Å
116	T	66.4	Low	80.1	Confident	72 Å²	72	48.5 Å²	48.5	44%	0.442	29%	0.29	S	S	.	.			trans	-118.7	10.5	179.9	61	0	0	0	0	113.7	T114	T114-T116 HydrophobicContact CG2-CG2 4.23Å; T114-T116 PolarHBondContact O-N 3.25Å; T114-T116 VanDerWaalsContact O-N 3.15Å
117	G	59	Low	80	Confident	55 Å²	55	50.3 Å²	50.3	57%	0.567	30%	0.299	S	S	*	.	S	Bend	trans	-160	173.3	-179.4	0	0	0	0	0	114.9
118	T	50.6	Low	80.1	Confident	136 Å²	136	46.8 Å²	46.8	83%	0.834	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-16.4	-174.2	36.4	0	0	0	0	115.4	G120	T118-G120 PolarHBondContact O-N 2.81Å
119	H	53.9	Low	80.3	Confident	140 Å²	140	44.8 Å²	44.8	65%	0.648	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	0.9	-168.8	-70.7	-66.4	0	0	0	116	D121	H119-D121 WeakPolarHBondContact CB-OD2 3.44Å; H119-D121 PolarHBondContact O-N 3.13Å; H119-D121 VanDerWaalsContact O-N 3.14Å
120	G	61.1	Low	80.5	Confident	68 Å²	68	46.7 Å²	46.7	70%	0.701	28%	0.28	S	S	*	.			trans	67.2	11.2	176.4	0	0	0	0	0	115.3	T118 A122	T118-G120 PolarHBondContact O-N 2.81Å; G120-A122 VanDerWaalsContact C-N 3.25Å; G120-A122 PolarHBondContact O-N 3.27Å
121	D	77.4	Confident	80.5	Confident	28 Å²	28	47.7 Å²	47.7	15%	0.15	28%	0.282	C	S	.	.			trans	-81.4	1.9	-175.5	-49.2	-47.2	0	0	0	114.4	H119 G123 D124 L127 I128 F131	H119-D121 WeakPolarHBondContact CB-OD2 3.44Å; H119-D121 PolarHBondContact O-N 3.13Å; H119-D121 VanDerWaalsContact O-N 3.14Å; D121-G123 PolarHBondContact O-N 3.37Å; D121-D124 PolarHBondContact O-N 2.86Å; D121-D124 VanDerWaalsContact O-N 3.12Å; D121-L127 HydrophobicContact CB-CD2 4Å; D121-L127 HydrophobicContact CB-CG 4.29Å; D121-L127 WeakPolarHBondContact OD1-CD2 3.32Å; D121-I128 HydrophobicContact CB-CG1 4.26Å; D121-F131 VanDerWaalsContact OD2-CE2 3.23Å; D121-F131 WeakPolarHBondContact OD2-CE2 3.44Å
122	A	80.1	Confident	80.6	Confident	14 Å²	14	43.9 Å²	43.9	12%	0.116	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	125.8	-176.1	0	0	0	0	0	110.2	P115 G120 G477	P115-A122 HydrophobicContact CB-CB 4.05Å; G120-A122 VanDerWaalsContact C-N 3.25Å; G120-A122 PolarHBondContact O-N 3.27Å; A122-G477 CarbonylContact O-C 3.59Å; A122-G477 WeakPolarHBondContact O-CA 3.5Å
123	G	82.6	Confident	80.8	Confident	5 Å²	5	43.2 Å²	43.2	5%	0.052	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	1	-179.1	0	0	0	0	0	116.1	Y112 D121 G474	Y112-G123 PolarHBondContact O-N 3.34Å; D121-G123 PolarHBondContact O-N 3.37Å; G123-G474 PolarHBondContact O-N 3.33Å
124	D	89.1	Confident	81.1	Confident	23 Å²	23	45 Å²	45	12%	0.123	27%	0.269	C	S	.	.			trans	-109.7	96.3	162.3	-171.3	-24.4	0	0	0	109.9	D121 A126 L127 I128 R188	D121-D124 PolarHBondContact O-N 2.86Å; D121-D124 VanDerWaalsContact O-N 3.12Å; D124-A126 VanDerWaalsContact C-N 3.29Å; D124-A126 PolarHBondContact O-N 3.41Å; D124-A126 PolarHBondContact OD1-N 2.81Å; D124-A126 VanDerWaalsContact OD1-N 3.09Å; D124-L127 HydrophobicContact CB-CB 4.05Å; D124-L127 PolarHBondContact O-N 3.07Å; D124-L127 PolarHBondContact OD1-N 3.35Å; D124-I128 WeakPolarHBondContact O-CG1 3.21Å; D124-I128 PolarHBondContact O-N 3.17Å; D124-I128 VanDerWaalsContact O-N 3.07Å; D124-R188 IonicContact OD2-CZ 2.8Å; D124-R188 IonicContact OD2-NE 3.63Å; D124-R188 IonicContact OD2-NH2 3.14Å; D124-R188 PolarHBondContact OD2-NH2 2.95Å
125	F	92.6	Very high	81.5	Confident	7 Å²	7	46.9 Å²	46.9	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-38.7	-178.3	177.9	-102.6	0	0	0	112.8	E86 L89 A90 L109 Y112 L127 I128 A129 I187	E86-F125 HydrophobicContact CB-CB 4.19Å; E86-F125 HydrophobicContact CB-CD1 4.15Å; E86-F125 HydrophobicContact CB-CD2 4.03Å; E86-F125 HydrophobicContact CB-CG 3.83Å; E86-F125 HydrophobicContact CG-CB 3.75Å; E86-F125 HydrophobicContact CG-CD1 4.08Å; E86-F125 HydrophobicContact CG-CG 3.85Å; L89-F125 HydrophobicContact CB-CE1 3.54Å; L89-F125 HydrophobicContact CB-CZ 3.68Å; L89-F125 HydrophobicContact CD1-CD1 4.45Å; L89-F125 HydrophobicContact CD1-CE1 3.88Å; L89-F125 HydrophobicContact CG-CE1 4.37Å; A90-F125 HydrophobicContact CB-CE2 3.89Å; A90-F125 HydrophobicContact CB-CZ 4.2Å; L109-F125 HydrophobicContact CB-CE2 4.5Å; L109-F125 HydrophobicContact CD2-CE2 3.96Å; L109-F125 HydrophobicContact CD2-CZ 4.32Å; Y112-F125 HydrophobicContact CD1-CD2 4.22Å; Y112-F125 HydrophobicContact CD2-CB 3.7Å; Y112-F125 HydrophobicContact CE2-CB 3.96Å; Y112-F125 HydrophobicContact CG-CB 4.02Å; Y112-F125 AromaticContact CG-CD2 3.98Å; Y112-F125 HydrophobicContact CG-CD2 3.98Å; Y112-F125 HydrophobicContact CG-CG 4.49Å; F125-L127 VanDerWaalsContact C-N 3.35Å; F125-L127 PolarHBondContact O-N 3.16Å; F125-I128 PolarHBondContact O-N 2.74Å; F125-A129 WeakPolarHBondContact O-CB 3.04Å; F125-A129 PolarHBondContact O-N 3.21Å; F125-I187 HydrophobicContact CD1-CG2 3.62Å; F125-I187 HydrophobicContact CE1-CD1 4.28Å; F125-I187 HydrophobicContact CE1-CG2 3.93Å
126	A	93.6	Very high	82.1	Confident	3 Å²	3	49.4 Å²	49.4	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-40.3	-177.9	0	0	0	0	0	111.4	D124 A129 Y130 K184 I187 R188	D124-A126 VanDerWaalsContact C-N 3.29Å; D124-A126 PolarHBondContact O-N 3.41Å; D124-A126 PolarHBondContact OD1-N 2.81Å; D124-A126 VanDerWaalsContact OD1-N 3.09Å; A126-A129 PolarHBondContact O-N 2.56Å; A126-Y130 WeakPolarHBondContact O-CB 3.36Å; A126-Y130 PolarHBondContact O-N 3.35Å; A126-K184 HydrophobicContact CB-CG 4.08Å; A126-I187 HydrophobicContact CB-CB 4.13Å; A126-I187 HydrophobicContact CB-CG2 3.76Å; A126-R188 HydrophobicContact CB-CG 3.66Å
127	L	91.8	Very high	83	Confident	39 Å²	39	47 Å²	47	20%	0.204	27%	0.27	C	S	.	.	H	α-helix	trans	-70.3	-39.9	178.2	-169	58.9	0	0	0	111.9	D121 D124 F125 Y130 F131 K184	D121-L127 HydrophobicContact CB-CD2 4Å; D121-L127 HydrophobicContact CB-CG 4.29Å; D121-L127 WeakPolarHBondContact OD1-CD2 3.32Å; D124-L127 HydrophobicContact CB-CB 4.05Å; D124-L127 PolarHBondContact O-N 3.07Å; D124-L127 PolarHBondContact OD1-N 3.35Å; F125-L127 VanDerWaalsContact C-N 3.35Å; F125-L127 PolarHBondContact O-N 3.16Å; L127-Y130 HydrophobicContact CD1-CD1 4.27Å; L127-Y130 WeakPolarHBondContact O-CB 3.25Å; L127-Y130 PolarHBondContact O-N 2.98Å; L127-F131 HydrophobicContact CD1-CD2 4.4Å; L127-F131 HydrophobicContact CD1-CE2 3.81Å; L127-F131 HydrophobicContact CD1-CZ 4.35Å; L127-F131 HydrophobicContact CD2-CE2 4.43Å; L127-F131 HydrophobicContact CG-CD2 4.21Å; L127-F131 HydrophobicContact CG-CE2 3.77Å; L127-F131 WeakPolarHBondContact O-CD2 3.12Å; L127-F131 PolarHBondContact O-N 2.91Å; L127-F131 VanDerWaalsContact O-N 3.11Å; L127-K184 HydrophobicContact CD1-CD 4.4Å
128	I	92.1	Very high	83.9	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.015	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-47.7	173.3	-71.5	168	0	0	0	110.7	K108 L109 Y112 D121 D124 F125 Y130 F131 V132	K108-I128 HydrophobicContact CD-CG2 4.12Å; K108-I128 HydrophobicContact CG-CG2 3.82Å; L109-I128 HydrophobicContact CD2-CG2 4.27Å; Y112-I128 WeakPolarHBondContact O-CD1 3.21Å; D121-I128 HydrophobicContact CB-CG1 4.26Å; D124-I128 WeakPolarHBondContact O-CG1 3.21Å; D124-I128 PolarHBondContact O-N 3.17Å; D124-I128 VanDerWaalsContact O-N 3.07Å; F125-I128 PolarHBondContact O-N 2.74Å; I128-Y130 VanDerWaalsContact C-N 3.33Å; I128-Y130 PolarHBondContact O-N 3.47Å; I128-F131 PolarHBondContact O-N 2.93Å; I128-V132 PolarHBondContact O-N 3.17Å
129	A	93.4	Very high	85.3	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-43.2	176.3	0	0	0	0	0	111.6	L109 F125 A126 F131 V132 L133 I187	L109-A129 HydrophobicContact CD2-CB 3.95Å; F125-A129 WeakPolarHBondContact O-CB 3.04Å; F125-A129 PolarHBondContact O-N 3.21Å; A126-A129 PolarHBondContact O-N 2.56Å; A129-F131 VanDerWaalsContact C-N 3.33Å; A129-F131 PolarHBondContact O-N 2.88Å; A129-V132 PolarHBondContact O-N 2.98Å; A129-V132 VanDerWaalsContact O-N 3.13Å; A129-L133 HydrophobicContact CB-CD1 4.41Å; A129-L133 WeakPolarHBondContact O-CB 3.4Å; A129-L133 WeakPolarHBondContact O-CD1 3.42Å; A129-L133 WeakPolarHBondContact O-CG 3.28Å; A129-L133 PolarHBondContact O-N 2.79Å; A129-I187 HydrophobicContact CB-CD1 3.62Å
130	Y	94	Very high	86.9	Confident	43 Å²	43	52.1 Å²	52.1	17%	0.169	27%	0.271	C	S	.	.	H	α-helix	trans	-54.8	-45.4	176	171.2	-106.3	0	0	0	112.6	A126 L127 I128 V132 L133 K134 A180 L181 K184	A126-Y130 WeakPolarHBondContact O-CB 3.36Å; A126-Y130 PolarHBondContact O-N 3.35Å; L127-Y130 HydrophobicContact CD1-CD1 4.27Å; L127-Y130 WeakPolarHBondContact O-CB 3.25Å; L127-Y130 PolarHBondContact O-N 2.98Å; I128-Y130 VanDerWaalsContact C-N 3.33Å; I128-Y130 PolarHBondContact O-N 3.47Å; Y130-V132 VanDerWaalsContact C-N 3.34Å; Y130-V132 PolarHBondContact O-N 2.81Å; Y130-L133 PolarHBondContact O-N 3.06Å; Y130-K134 HydrophobicContact CE1-CD 4.27Å; Y130-K134 VanDerWaalsContact O-CB 3.31Å; Y130-K134 WeakPolarHBondContact O-CB 3.39Å; Y130-K134 PolarHBondContact O-N 3.43Å; Y130-A180 HydrophobicContact CD2-CB 4.15Å; Y130-A180 WeakPolarHBondContact CD2-O 3.5Å; Y130-A180 HydrophobicContact CE2-CB 4.17Å; Y130-L181 HydrophobicContact CE2-CB 4.28Å; Y130-L181 HydrophobicContact CE2-CD1 4.45Å; Y130-K184 HydrophobicContact CD2-CB 4.32Å; Y130-K184 HydrophobicContact CG-CB 4.49Å; Y130-K184 HydrophobicContact CG-CD 4.16Å
131	F	91.7	Very high	88.3	Confident	78 Å²	78	50 Å²	50	34%	0.342	25%	0.25	S	C	.	.	H	α-helix	trans	-69.1	-30.2	179	-74	-60.4	0	0	0	113.7	D121 L127 I128 A129 P135	D121-F131 VanDerWaalsContact OD2-CE2 3.23Å; D121-F131 WeakPolarHBondContact OD2-CE2 3.44Å; L127-F131 HydrophobicContact CD1-CD2 4.4Å; L127-F131 HydrophobicContact CD1-CE2 3.81Å; L127-F131 HydrophobicContact CD1-CZ 4.35Å; L127-F131 HydrophobicContact CD2-CE2 4.43Å; L127-F131 HydrophobicContact CG-CD2 4.21Å; L127-F131 HydrophobicContact CG-CE2 3.77Å; L127-F131 WeakPolarHBondContact O-CD2 3.12Å; L127-F131 PolarHBondContact O-N 2.91Å; L127-F131 VanDerWaalsContact O-N 3.11Å; I128-F131 PolarHBondContact O-N 2.93Å; A129-F131 VanDerWaalsContact C-N 3.33Å; A129-F131 PolarHBondContact O-N 2.88Å; F131-P135 VanDerWaalsContact O-CD 3.25Å; F131-P135 WeakPolarHBondContact O-CD 3.46Å
132	V	91.9	Very high	89.1	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.024	27%	0.27	C	S	.	.	H	α-helix	trans	-70.8	-37.4	172.1	175.2	0	0	0	0	111.1	L97 L99 D105 L109 I128 A129 Y130 R136	L97-V132 HydrophobicContact CD1-CG1 4.38Å; L99-V132 HydrophobicContact CD1-CG1 3.98Å; D105-V132 HydrophobicContact CB-CG1 4.01Å; D105-V132 HydrophobicContact CB-CG2 4.09Å; L109-V132 HydrophobicContact CD1-CG1 4.36Å; L109-V132 HydrophobicContact CG-CG2 4.43Å; I128-V132 PolarHBondContact O-N 3.17Å; A129-V132 PolarHBondContact O-N 2.98Å; A129-V132 VanDerWaalsContact O-N 3.13Å; Y130-V132 VanDerWaalsContact C-N 3.34Å; Y130-V132 PolarHBondContact O-N 2.81Å; V132-R136 PolarHBondContact O-NH1 3.33Å
133	L	92	Very high	90	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-77.9	-37.2	-178.1	-71.5	165.3	0	0	0	113.2	Y93 L97 A129 Y130 R136 C137 A180 Q183	Y93-L133 HydrophobicContact CD1-CD2 3.98Å; Y93-L133 HydrophobicContact CE1-CD1 3.91Å; Y93-L133 HydrophobicContact CE1-CD2 3.76Å; Y93-L133 HydrophobicContact CE1-CG 4.35Å; L97-L133 HydrophobicContact CD1-CD2 3.67Å; L97-L133 HydrophobicContact CD2-CD2 4.05Å; L97-L133 HydrophobicContact CG-CD2 4.38Å; A129-L133 HydrophobicContact CB-CD1 4.41Å; A129-L133 WeakPolarHBondContact O-CB 3.4Å; A129-L133 WeakPolarHBondContact O-CD1 3.42Å; A129-L133 WeakPolarHBondContact O-CG 3.28Å; A129-L133 PolarHBondContact O-N 2.79Å; Y130-L133 PolarHBondContact O-N 3.06Å; L133-R136 CarbonylContact O-C 3.46Å; L133-R136 PolarHBondContact O-N 3.35Å; L133-C137 PolarHBondContact O-N 3.05Å; L133-A180 HydrophobicContact CB-CB 3.83Å; L133-Q183 HydrophobicContact CD1-CB 4Å
134	K	91.4	Very high	90.7	Very high	118 Å²	118	53.1 Å²	53.1	51%	0.513	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-45.7	-174.1	-173.4	-177.1	-177.5	-169.8	0	114.1	Y130 R136	Y130-K134 HydrophobicContact CE1-CD 4.27Å; Y130-K134 VanDerWaalsContact O-CB 3.31Å; Y130-K134 WeakPolarHBondContact O-CB 3.39Å; Y130-K134 PolarHBondContact O-N 3.43Å; K134-R136 VanDerWaalsContact C-N 3.34Å
135	P	90.4	Very high	91.2	Very high	90 Å²	90	52 Å²	52	58%	0.584	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.3	176.8	30.5	-34.8	0	0	0	114.3	F131	F131-P135 VanDerWaalsContact O-CD 3.25Å; F131-P135 WeakPolarHBondContact O-CD 3.46Å
136	R	87.9	Confident	91.4	Very high	110 Å²	110	54.8 Å²	54.8	42%	0.415	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-27	-172	-67.6	177.9	175	89.1	-2.9	113.9	D105 V132 L133 K134	D105-R136 IonicContact OD2-CZ 3.93Å; D105-R136 IonicContact OD2-NH1 3.89Å; D105-R136 PolarHBondContact OD2-NH1 3.11Å; D105-R136 IonicContact OD2-NH2 3.74Å; D105-R136 PolarHBondContact OD2-NH2 3.07Å; V132-R136 PolarHBondContact O-NH1 3.33Å; L133-R136 CarbonylContact O-C 3.46Å; L133-R136 PolarHBondContact O-N 3.35Å; K134-R136 VanDerWaalsContact C-N 3.34Å
137	C	85.8	Confident	91.7	Very high	21 Å²	21	58.6 Å²	58.6	14%	0.142	30%	0.295	C	S	.	.			trans	-112.8	84.9	-177.5	-62.7	0	0	0	0	109.8	L133 A180	L133-C137 PolarHBondContact O-N 3.05Å; C137-A180 HydrophobicContact CB-CB 4.35Å
138	L	78.4	Confident	92	Very high	157 Å²	157	56.7 Å²	56.7	82%	0.822	29%	0.285	S	S	*	.			trans	-85	-10.8	179.9	-60.5	179.1	0	0	0	113.8
139	Q	79.2	Confident	92.3	Very high	88 Å²	88	56.9 Å²	56.9	41%	0.411	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-68.1	144.9	-180	65.8	-169.8	18.3	0	0	112.4	T176 S178 S179	Q139-T176 PolarHBondContact NE2-O 2.92Å; Q139-T176 PolarHBondContact OE1-O 2.69Å; Q139-S178 PolarHBondContact NE2-O 3.24Å; Q139-S179 WeakPolarHBondContact O-CA 3.33Å; Q139-S179 WeakPolarHBondContact O-CB 3.36Å
140	K	87.8	Confident	92.5	Very high	194 Å²	194	60.7 Å²	60.7	84%	0.843	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-79.1	146.5	167.4	-66.8	-174	178.4	-179.2	0	109.3
141	G	91.3	Very high	92.7	Very high	24 Å²	24	59.6 Å²	59.6	25%	0.247	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-68.7	147.9	174.1	0	0	0	0	0	112.2	Q177 E182	G141-Q177 VanDerWaalsContact CA-O 3.29Å; G141-Q177 WeakPolarHBondContact CA-O 3.3Å; G141-E182 WeakPolarHBondContact CA-OE2 3.19Å; G141-E182 PolarHBondContact N-OE2 2.78Å
142	S	94.2	Very high	92.9	Very high	82 Å²	82	55.9 Å²	55.9	57%	0.573	29%	0.287	S	S	*	.			trans	-120	-4.2	178.7	59.3	0	0	0	0	113.4	Q177	S142-Q177 PolarHBondContact N-O 3.34Å; S142-Q177 VanDerWaalsContact N-O 3.07Å
143	L	97.8	Very high	93.2	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.026	30%	0.298	C	S	.	.			trans	-79.9	141.9	-175.3	-62.7	177.8	0	0	0	111.8	F16 Q147 V148 L151 L174 Q177	F16-L143 VanDerWaalsContact CB-O 3.29Å; F16-L143 WeakPolarHBondContact CB-O 3.31Å; F16-L143 PolarHBondContact N-O 3.36Å; L143-Q147 HydrophobicContact CD2-CB 4.15Å; L143-V148 HydrophobicContact CB-CG2 3.89Å; L143-V148 HydrophobicContact CD1-CG2 3.99Å; L143-L151 HydrophobicContact CD1-CD1 4.09Å; L143-L151 HydrophobicContact CD2-CD1 4.35Å; L143-L174 HydrophobicContact CD1-CD2 4Å; L143-Q177 HydrophobicContact CD1-CB 4.09Å; L143-Q177 HydrophobicContact CD2-CB 3.94Å; L143-Q177 VanDerWaalsContact CD2-OE1 3.24Å; L143-Q177 HydrophobicContact CG-CB 3.8Å
144	T	98.5	Very high	93.4	Very high	24 Å²	24	59.9 Å²	59.9	15%	0.147	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-86.3	165.2	167.2	60.9	0	0	0	0	110.7	S12 V14 Q146 Q147 V148	S12-T144 WeakPolarHBondContact O-CG2 3.49Å; V14-T144 WeakPolarHBondContact O-CA 3.29Å; T144-Q146 PolarHBondContact O-N 3.09Å; T144-Q147 PolarHBondContact O-N 2.9Å; T144-Q147 VanDerWaalsContact OG1-CG 3.31Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.41Å; T144-Q147 PolarHBondContact OG1-N 3.3Å; T144-Q147 PolarHBondContact OG1-OE1 3.34Å; T144-V148 WeakPolarHBondContact O-CG2 3.34Å; T144-V148 PolarHBondContact O-N 2.76Å
145	I	98.6	Very high	93.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-36	176.4	-71.1	168.3	0	0	0	111.5	A11 V14 F16 L19 F42 W46 P66 L70 N149	A11-I145 HydrophobicContact CB-CB 4.5Å; A11-I145 HydrophobicContact CB-CG2 4.31Å; A11-I145 PolarHBondContact O-N 2.83Å; V14-I145 HydrophobicContact CB-CD1 4.01Å; V14-I145 HydrophobicContact CG1-CD1 3.51Å; V14-I145 HydrophobicContact CG1-CG1 4.43Å; V14-I145 PolarHBondContact O-N 3.33Å; F16-I145 HydrophobicContact CD2-CG1 4.41Å; L19-I145 HydrophobicContact CB-CD1 3.97Å; L19-I145 HydrophobicContact CB-CG1 4.39Å; L19-I145 HydrophobicContact CD2-CD1 4.22Å; L19-I145 HydrophobicContact CD2-CG1 4.31Å; F42-I145 HydrophobicContact CZ-CD1 4.08Å; W46-I145 HydrophobicContact CH2-CD1 4.31Å; W46-I145 HydrophobicContact CH2-CG2 4.49Å; W46-I145 HydrophobicContact CZ3-CD1 3.68Å; P66-I145 HydrophobicContact CB-CG2 3.94Å; L70-I145 HydrophobicContact CD1-CG2 4.09Å; I145-N149 PolarHBondContact O-N 2.97Å; I145-N149 VanDerWaalsContact O-N 3.13Å; I145-N149 PolarHBondContact O-ND2 2.97Å
146	Q	98.4	Very high	93.7	Very high	66 Å²	66	50.1 Å²	50.1	31%	0.308	26%	0.26	S	S	.	.	H	α-helix	trans	-63.8	-51.1	175.2	-178.3	168.8	-33.7	0	0	111.5	T9 A11 T144 V148 N149 D150	T9-Q146 PolarHBondContact OG1-OE1 2.89Å; A11-Q146 HydrophobicContact CB-CB 3.97Å; A11-Q146 PolarHBondContact O-N 3.26Å; T144-Q146 PolarHBondContact O-N 3.09Å; Q146-V148 VanDerWaalsContact C-N 3.27Å; Q146-V148 PolarHBondContact O-N 3.3Å; Q146-N149 CarbonylContact O-C 3.57Å; Q146-N149 WeakPolarHBondContact O-CA 3.3Å; Q146-N149 WeakPolarHBondContact O-CB 3.48Å; Q146-N149 PolarHBondContact O-N 3Å; Q146-D150 VanDerWaalsContact O-CG 3.28Å; Q146-D150 PolarHBondContact O-N 3.34Å
147	Q	98.2	Very high	94	Very high	82 Å²	82	48.6 Å²	48.6	38%	0.383	27%	0.266	S	S	.	.	H	α-helix	trans	-60.8	-35.8	-179.9	-71	166.5	-40.4	0	0	112.7	L143 T144 N149 D150 L151	L143-Q147 HydrophobicContact CD2-CB 4.15Å; T144-Q147 PolarHBondContact O-N 2.9Å; T144-Q147 VanDerWaalsContact OG1-CG 3.31Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.41Å; T144-Q147 PolarHBondContact OG1-N 3.3Å; T144-Q147 PolarHBondContact OG1-OE1 3.34Å; Q147-N149 VanDerWaalsContact C-N 3.35Å; Q147-D150 PolarHBondContact O-N 2.95Å; Q147-L151 WeakPolarHBondContact O-CB 3.41Å; Q147-L151 VanDerWaalsContact O-CG 3.27Å; Q147-L151 WeakPolarHBondContact O-CG 3.24Å; Q147-L151 PolarHBondContact O-N 3.18Å
148	V	98.4	Very high	94.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-43.4	172.7	167.9	0	0	0	0	111.1	F16 L70 L143 T144 Q146 L151 L152 L174 L186	F16-V148 HydrophobicContact CB-CG2 3.89Å; F16-V148 HydrophobicContact CD1-CG2 3.98Å; F16-V148 HydrophobicContact CD2-CB 4.29Å; F16-V148 HydrophobicContact CD2-CG1 4.25Å; F16-V148 HydrophobicContact CD2-CG2 3.88Å; F16-V148 HydrophobicContact CE1-CG2 4.49Å; F16-V148 HydrophobicContact CE2-CG1 4.1Å; F16-V148 HydrophobicContact CE2-CG2 4.4Å; F16-V148 HydrophobicContact CG-CG2 3.65Å; F16-V148 HydrophobicContact CZ-CG1 4.47Å; L70-V148 HydrophobicContact CD1-CG1 4.2Å; L143-V148 HydrophobicContact CB-CG2 3.89Å; L143-V148 HydrophobicContact CD1-CG2 3.99Å; T144-V148 WeakPolarHBondContact O-CG2 3.34Å; T144-V148 PolarHBondContact O-N 2.76Å; Q146-V148 VanDerWaalsContact C-N 3.27Å; Q146-V148 PolarHBondContact O-N 3.3Å; V148-L151 PolarHBondContact O-N 3.29Å; V148-L152 HydrophobicContact CG1-CD1 3.92Å; V148-L152 HydrophobicContact CG1-CG 4.47Å; V148-L152 WeakPolarHBondContact O-CB 3.38Å; V148-L152 VanDerWaalsContact O-CG 3.23Å; V148-L152 WeakPolarHBondContact O-CG 3.23Å; V148-L152 PolarHBondContact O-N 2.79Å; V148-L174 HydrophobicContact CG1-CD2 4.48Å; V148-L174 HydrophobicContact CG2-CD2 4.36Å; V148-L186 HydrophobicContact CG1-CD2 3.56Å; V148-L186 HydrophobicContact CG2-CD2 4.45Å
149	N	98.4	Very high	95	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.032	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-49.4	175.1	-82	-65.3	0	0	0	111.5	P66 R69 R79 I145 Q146 Q147 L151 L152 D153	P66-N149 PolarHBondContact O-ND2 3.07Å; R69-N149 VanDerWaalsContact CD-OD1 3.22Å; R69-N149 WeakPolarHBondContact CD-OD1 3.49Å; R79-N149 PolarHBondContact NH2-O 2.83Å; R79-N149 VanDerWaalsContact NH2-O 3.12Å; R79-N149 PolarHBondContact NH2-OD1 2.81Å; I145-N149 PolarHBondContact O-N 2.97Å; I145-N149 VanDerWaalsContact O-N 3.13Å; I145-N149 PolarHBondContact O-ND2 2.97Å; Q146-N149 CarbonylContact O-C 3.57Å; Q146-N149 WeakPolarHBondContact O-CA 3.3Å; Q146-N149 WeakPolarHBondContact O-CB 3.48Å; Q146-N149 PolarHBondContact O-N 3Å; Q147-N149 VanDerWaalsContact C-N 3.35Å; N149-L151 VanDerWaalsContact C-N 3.26Å; N149-L151 PolarHBondContact O-N 2.89Å; N149-L152 CarbonylContact O-C 3.09Å; N149-L152 WeakPolarHBondContact O-CA 3.41Å; N149-L152 WeakPolarHBondContact O-CB 2.92Å; N149-L152 PolarHBondContact O-N 3.32Å; N149-D153 PolarHBondContact O-N 2.76Å
150	D	97.9	Very high	95.5	Very high	81 Å²	81	42.4 Å²	42.4	43%	0.433	24%	0.241	S	C	.	.	H	α-helix	trans	-54.5	-42.2	179.1	-59.9	-25.1	0	0	0	112.1	Q146 Q147 D153 S154	Q146-D150 VanDerWaalsContact O-CG 3.28Å; Q146-D150 PolarHBondContact O-N 3.34Å; Q147-D150 PolarHBondContact O-N 2.95Å; D150-D153 PolarHBondContact O-N 3.46Å; D150-S154 PolarHBondContact O-N 3.38Å
151	L	97.8	Very high	95.7	Very high	21 Å²	21	35.3 Å²	35.3	11%	0.11	22%	0.218	C	C	.	.	H	α-helix	trans	-68.2	-38.7	177.2	-71.9	169.4	0	0	0	112.3	L143 Q147 V148 N149 S154 V155 Q173 L174	L143-L151 HydrophobicContact CD1-CD1 4.09Å; L143-L151 HydrophobicContact CD2-CD1 4.35Å; Q147-L151 WeakPolarHBondContact O-CB 3.41Å; Q147-L151 VanDerWaalsContact O-CG 3.27Å; Q147-L151 WeakPolarHBondContact O-CG 3.24Å; Q147-L151 PolarHBondContact O-N 3.18Å; V148-L151 PolarHBondContact O-N 3.29Å; N149-L151 VanDerWaalsContact C-N 3.26Å; N149-L151 PolarHBondContact O-N 2.89Å; L151-S154 WeakPolarHBondContact O-CB 3.5Å; L151-S154 PolarHBondContact O-N 3.09Å; L151-V155 WeakPolarHBondContact O-CG2 3.46Å; L151-V155 PolarHBondContact O-N 2.85Å; L151-Q173 HydrophobicContact CD1-CB 4.38Å; L151-Q173 HydrophobicContact CD2-CB 4.04Å; L151-L174 HydrophobicContact CB-CD1 4.12Å; L151-L174 HydrophobicContact CB-CD2 3.81Å; L151-L174 HydrophobicContact CB-CG 3.81Å; L151-L174 HydrophobicContact CD1-CD2 3.58Å; L151-L174 HydrophobicContact CD1-CG 3.8Å; L151-L174 HydrophobicContact CG-CD2 4.34Å; L151-L174 HydrophobicContact CG-CG 4.38Å
152	L	97.4	Very high	95.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.3	-35.9	174.9	-69.7	172.4	0	0	0	111.7	L70 R79 Y82 V148 N149 V155 A156 L174 I190	L70-L152 HydrophobicContact CD2-CD1 3.78Å; R79-L152 WeakPolarHBondContact CD-O 3.47Å; Y82-L152 HydrophobicContact CE1-CB 3.95Å; Y82-L152 HydrophobicContact CE1-CD2 4.01Å; Y82-L152 WeakPolarHBondContact CE1-O 3.32Å; V148-L152 HydrophobicContact CG1-CD1 3.92Å; V148-L152 HydrophobicContact CG1-CG 4.47Å; V148-L152 WeakPolarHBondContact O-CB 3.38Å; V148-L152 VanDerWaalsContact O-CG 3.23Å; V148-L152 WeakPolarHBondContact O-CG 3.23Å; V148-L152 PolarHBondContact O-N 2.79Å; N149-L152 CarbonylContact O-C 3.09Å; N149-L152 WeakPolarHBondContact O-CA 3.41Å; N149-L152 WeakPolarHBondContact O-CB 2.92Å; N149-L152 PolarHBondContact O-N 3.32Å; L152-V155 WeakPolarHBondContact O-CB 3.02Å; L152-V155 PolarHBondContact O-N 2.76Å; L152-A156 PolarHBondContact O-N 2.9Å; L152-L174 HydrophobicContact CD2-CD1 4.07Å; L152-L174 HydrophobicContact CG-CD1 4.5Å; L152-I190 HydrophobicContact CD2-CD1 4.18Å; L152-I190 HydrophobicContact CD2-CG1 3.72Å
153	D	96.5	Very high	95.5	Very high	50 Å²	50	46 Å²	46	27%	0.267	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-44.8	171.7	-71.7	-46	0	0	0	110.7	R79 N149 D150 V155 A156 S157	R79-D153 IonicContact CZ-OD1 2.82Å; R79-D153 VanDerWaalsContact CZ-OD1 3.31Å; R79-D153 IonicContact CZ-OD2 2.83Å; R79-D153 IonicContact NE-OD1 3.49Å; R79-D153 PolarHBondContact NE-OD1 3.4Å; R79-D153 IonicContact NE-OD2 2.83Å; R79-D153 VanDerWaalsContact NH2-CG 3.27Å; R79-D153 IonicContact NH2-OD1 2.53Å; R79-D153 PolarHBondContact NH2-OD1 2.92Å; R79-D153 VanDerWaalsContact NH2-OD1 3.14Å; R79-D153 IonicContact NH2-OD2 3.82Å; R79-D153 PolarHBondContact NH2-OD2 3.33Å; N149-D153 PolarHBondContact O-N 2.76Å; D150-D153 PolarHBondContact O-N 3.46Å; D153-V155 VanDerWaalsContact C-N 3.33Å; D153-V155 PolarHBondContact O-N 2.93Å; D153-A156 PolarHBondContact O-N 2.76Å; D153-S157 VanDerWaalsContact O-CB 3.28Å; D153-S157 WeakPolarHBondContact O-CB 3.49Å; D153-S157 PolarHBondContact O-N 3.46Å
154	S	96.8	Very high	95	Very high	39 Å²	39	53.5 Å²	53.5	27%	0.273	28%	0.276	S	S	.	.	H	α-helix	trans	-57.9	-44	172.1	178.8	0	0	0	0	111.9	D150 L151 N158 S170	D150-S154 PolarHBondContact O-N 3.38Å; L151-S154 WeakPolarHBondContact O-CB 3.5Å; L151-S154 PolarHBondContact O-N 3.09Å; S154-N158 VanDerWaalsContact O-CB 3.25Å; S154-N158 WeakPolarHBondContact O-CB 3.32Å; S154-N158 VanDerWaalsContact O-CG 3.31Å; S154-N158 PolarHBondContact O-N 3Å; S154-N158 PolarHBondContact O-ND2 2.86Å; S154-N158 PolarHBondContact OG-ND2 2.88Å; S154-N158 VanDerWaalsContact OG-ND2 3.1Å; S154-S170 WeakPolarHBondContact CB-OG 3.45Å; S154-S170 PolarHBondContact OG-OG 3.37Å
155	V	94.4	Very high	94.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.9	-47.9	176.9	169.1	0	0	0	0	111.4	Y82 I84 L151 L152 D153 N159 I167 L171	Y82-V155 HydrophobicContact CD1-CB 4.28Å; Y82-V155 HydrophobicContact CD1-CG1 3.77Å; Y82-V155 HydrophobicContact CG-CG1 4.42Å; I84-V155 HydrophobicContact CD1-CG1 3.5Å; I84-V155 VanDerWaalsContact CD1-CG1 3.5Å; L151-V155 WeakPolarHBondContact O-CG2 3.46Å; L151-V155 PolarHBondContact O-N 2.85Å; L152-V155 WeakPolarHBondContact O-CB 3.02Å; L152-V155 PolarHBondContact O-N 2.76Å; D153-V155 VanDerWaalsContact C-N 3.33Å; D153-V155 PolarHBondContact O-N 2.93Å; V155-N159 WeakPolarHBondContact O-CB 3.49Å; V155-N159 PolarHBondContact O-N 2.98Å; V155-I167 HydrophobicContact CG1-CG2 4.18Å; V155-L171 HydrophobicContact CG2-CD2 4.09Å; V155-L171 HydrophobicContact CG2-CG 4.07Å
156	A	94.1	Very high	94.2	Very high	2 Å²	2	61.8 Å²	61.8	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-66.2	-45.9	-178.8	0	0	0	0	0	112.3	R79 M80 Y82 L152 D153 N158 N159 S160	R79-A156 HydrophobicContact CG-CB 3.3Å; M80-A156 WeakPolarHBondContact O-CB 3.46Å; Y82-A156 HydrophobicContact CD1-CB 4.04Å; Y82-A156 HydrophobicContact CE1-CB 4.26Å; L152-A156 PolarHBondContact O-N 2.9Å; D153-A156 PolarHBondContact O-N 2.76Å; A156-N158 PolarHBondContact O-N 2.94Å; A156-N159 PolarHBondContact O-N 3.31Å; A156-S160 PolarHBondContact O-N 2.82Å; A156-S160 PolarHBondContact O-OG 3.25Å
157	S	94.4	Very high	93.8	Very high	78 Å²	78	59.3 Å²	59.3	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-60	-46.1	177.2	178.7	0	0	0	0	111.8	D153 N159 S160 A161	D153-S157 VanDerWaalsContact O-CB 3.28Å; D153-S157 WeakPolarHBondContact O-CB 3.49Å; D153-S157 PolarHBondContact O-N 3.46Å; S157-N159 VanDerWaalsContact C-N 3.32Å; S157-N159 PolarHBondContact O-N 2.87Å; S157-S160 WeakPolarHBondContact O-CB 3.2Å; S157-S160 PolarHBondContact O-N 3.47Å; S157-A161 WeakPolarHBondContact O-CB 3.48Å; S157-A161 PolarHBondContact O-N 2.81Å
158	N	93.4	Very high	93.2	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.08	31%	0.307	C	S	.	.	H	α-helix	trans	-68.2	-29.6	177.6	-73.6	-56.6	0	0	0	113	S154 A156 A161 K162 R163 L166 I167	S154-N158 VanDerWaalsContact O-CB 3.25Å; S154-N158 WeakPolarHBondContact O-CB 3.32Å; S154-N158 VanDerWaalsContact O-CG 3.31Å; S154-N158 PolarHBondContact O-N 3Å; S154-N158 PolarHBondContact O-ND2 2.86Å; S154-N158 PolarHBondContact OG-ND2 2.88Å; S154-N158 VanDerWaalsContact OG-ND2 3.1Å; A156-N158 PolarHBondContact O-N 2.94Å; N158-A161 CarbonylContact O-C 3.47Å; N158-A161 PolarHBondContact O-N 3.31Å; N158-K162 PolarHBondContact O-N 3.38Å; N158-R163 HydrophobicContact CB-CB 4.42Å; N158-R163 PolarHBondContact O-N 2.89Å; N158-L166 HydrophobicContact CB-CB 4.19Å; N158-L166 WeakPolarHBondContact OD1-CD1 3.34Å; N158-I167 HydrophobicContact CB-CG1 3.7Å
159	N	91.7	Very high	92.8	Very high	50 Å²	50	65.4 Å²	65.4	27%	0.267	33%	0.333	S	S	.	.	H	α-helix	trans	-66.6	-46.1	171.3	-179.9	62.1	0	0	0	111.8	A81 Y82 G83 V155 A156 S157 A161 K162 I167	A81-N159 PolarHBondContact O-ND2 3.1Å; Y82-N159 WeakPolarHBondContact O-CB 3.38Å; Y82-N159 VanDerWaalsContact O-CG 3.25Å; G83-N159 PolarHBondContact N-ND2 3.06Å; V155-N159 WeakPolarHBondContact O-CB 3.49Å; V155-N159 PolarHBondContact O-N 2.98Å; A156-N159 PolarHBondContact O-N 3.31Å; S157-N159 VanDerWaalsContact C-N 3.32Å; S157-N159 PolarHBondContact O-N 2.87Å; N159-A161 VanDerWaalsContact C-N 3.26Å; N159-A161 PolarHBondContact O-N 3.5Å; N159-K162 PolarHBondContact O-N 2.93Å; N159-I167 HydrophobicContact CB-CD1 3.88Å
160	S	89.6	Confident	92.5	Very high	72 Å²	72	65.5 Å²	65.5	50%	0.503	33%	0.334	S	S	.	.	H	α-helix	trans	-57.5	-41	173.4	-64.8	0	0	0	0	111.7	A156 S157 K162	A156-S160 PolarHBondContact O-N 2.82Å; A156-S160 PolarHBondContact O-OG 3.25Å; S157-S160 WeakPolarHBondContact O-CB 3.2Å; S157-S160 PolarHBondContact O-N 3.47Å; S160-K162 VanDerWaalsContact C-N 3.25Å; S160-K162 PolarHBondContact O-N 2.91Å
161	A	91.4	Very high	92.1	Very high	45 Å²	45	62 Å²	62	37%	0.372	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	1.9	175.7	0	0	0	0	0	114.6	S157 N158 N159 R163	S157-A161 WeakPolarHBondContact O-CB 3.48Å; S157-A161 PolarHBondContact O-N 2.81Å; N158-A161 CarbonylContact O-C 3.47Å; N158-A161 PolarHBondContact O-N 3.31Å; N159-A161 VanDerWaalsContact C-N 3.26Å; N159-A161 PolarHBondContact O-N 3.5Å; A161-R163 VanDerWaalsContact C-N 3.26Å; A161-R163 HydrophobicContact CB-CG 4.07Å; A161-R163 PolarHBondContact O-N 3.47Å
162	K	91.1	Very high	91.6	Very high	183 Å²	183	64.2 Å²	64.2	80%	0.796	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	27.2	-179.1	-56.7	176.9	-177.6	171.9	0	115	N158 N159 S160 K164	N158-K162 PolarHBondContact O-N 3.38Å; N159-K162 PolarHBondContact O-N 2.93Å; S160-K162 VanDerWaalsContact C-N 3.25Å; S160-K162 PolarHBondContact O-N 2.91Å; K162-K164 PolarHBondContact O-N 2.92Å
163	R	91.4	Very high	91.3	Very high	146 Å²	146	67.7 Å²	67.7	55%	0.551	34%	0.343	S	S	*	.			trans	-94.4	81.9	-177.9	-58.5	-179	-157	168.9	8.2	112.1	N158 A161 D165 L166 I167	N158-R163 HydrophobicContact CB-CB 4.42Å; N158-R163 PolarHBondContact O-N 2.89Å; A161-R163 VanDerWaalsContact C-N 3.26Å; A161-R163 HydrophobicContact CB-CG 4.07Å; A161-R163 PolarHBondContact O-N 3.47Å; R163-D165 VanDerWaalsContact C-N 3.33Å; R163-D165 PolarHBondContact O-N 2.82Å; R163-L166 HydrophobicContact CB-CB 4.36Å; R163-L166 HydrophobicContact CB-CD1 4.25Å; R163-L166 HydrophobicContact CB-CG 4.39Å; R163-L166 PolarHBondContact O-N 3.09Å; R163-I167 WeakPolarHBondContact O-CG1 3.15Å; R163-I167 PolarHBondContact O-N 2.69Å
164	K	86.8	Confident	91.1	Very high	163 Å²	163	65.5 Å²	65.5	71%	0.709	33%	0.332	S	S	*	.	H	α-helix	trans	-58.9	-36.5	-173.2	-67.7	-177.8	-178.1	172.9	0	114.5	K162 I167 K168	K162-K164 PolarHBondContact O-N 2.92Å; K164-I167 WeakPolarHBondContact O-CB 3.47Å; K164-I167 PolarHBondContact O-N 2.83Å; K164-K168 PolarHBondContact O-N 3.06Å
165	D	88.6	Confident	90.7	Very high	129 Å²	129	64.4 Å²	64.4	69%	0.69	32%	0.322	S	S	*	.	H	α-helix	trans	-69.8	-35.9	-177.4	-58	-43.2	0	0	0	112.4	R163 K168 K169	R163-D165 VanDerWaalsContact C-N 3.33Å; R163-D165 PolarHBondContact O-N 2.82Å; D165-K168 WeakPolarHBondContact O-CB 3.48Å; D165-K168 PolarHBondContact O-N 3.49Å; D165-K169 PolarHBondContact O-N 3.03Å
166	L	91.9	Very high	90.3	Very high	69 Å²	69	67.6 Å²	67.6	36%	0.361	34%	0.342	S	S	.	.	H	α-helix	trans	-71.4	-35.2	175.7	-62.4	-175.7	0	0	0	111.8	N158 R163 K168 K169 S170	N158-L166 HydrophobicContact CB-CB 4.19Å; N158-L166 WeakPolarHBondContact OD1-CD1 3.34Å; R163-L166 HydrophobicContact CB-CB 4.36Å; R163-L166 HydrophobicContact CB-CD1 4.25Å; R163-L166 HydrophobicContact CB-CG 4.39Å; R163-L166 PolarHBondContact O-N 3.09Å; L166-K168 VanDerWaalsContact C-N 3.33Å; L166-K168 PolarHBondContact O-N 2.85Å; L166-K169 PolarHBondContact O-N 3.11Å; L166-S170 PolarHBondContact O-N 3.02Å; L166-S170 PolarHBondContact O-OG 3.38Å
167	I	89.1	Confident	90.3	Very high	14 Å²	14	70.8 Å²	70.8	7%	0.072	36%	0.357	C	S	.	.	H	α-helix	trans	-58.1	-48.7	170.4	-62.6	168.8	0	0	0	110	I84 V155 N158 N159 R163 K164 K169 S170 L171	I84-I167 HydrophobicContact CD1-CG2 4.28Å; V155-I167 HydrophobicContact CG1-CG2 4.18Å; N158-I167 HydrophobicContact CB-CG1 3.7Å; N159-I167 HydrophobicContact CB-CD1 3.88Å; R163-I167 WeakPolarHBondContact O-CG1 3.15Å; R163-I167 PolarHBondContact O-N 2.69Å; K164-I167 WeakPolarHBondContact O-CB 3.47Å; K164-I167 PolarHBondContact O-N 2.83Å; I167-K169 VanDerWaalsContact C-N 3.31Å; I167-K169 PolarHBondContact O-N 3.03Å; I167-S170 PolarHBondContact O-N 3.02Å; I167-L171 HydrophobicContact CG2-CD1 3.82Å; I167-L171 HydrophobicContact CG2-CG 4.39Å; I167-L171 WeakPolarHBondContact O-CB 3.24Å; I167-L171 WeakPolarHBondContact O-CG 3.3Å; I167-L171 PolarHBondContact O-N 3.44Å
168	K	85.9	Confident	90.3	Very high	84 Å²	84	67.1 Å²	67.1	37%	0.365	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-43.5	176	-73.6	-170.1	174	-157.5	0	111.5	L92 E95 K164 D165 L166 L171 L172	L92-K168 HydrophobicContact CD1-CG 4.17Å; E95-K168 IonicContact OE1-NZ 3.38Å; E95-K168 PolarHBondContact OE1-NZ 3.09Å; E95-K168 VanDerWaalsContact OE1-NZ 3.17Å; E95-K168 IonicContact OE2-NZ 3.67Å; E95-K168 PolarHBondContact OE2-NZ 3.08Å; K164-K168 PolarHBondContact O-N 3.06Å; D165-K168 WeakPolarHBondContact O-CB 3.48Å; D165-K168 PolarHBondContact O-N 3.49Å; L166-K168 VanDerWaalsContact C-N 3.33Å; L166-K168 PolarHBondContact O-N 2.85Å; K168-L171 PolarHBondContact O-N 3.46Å; K168-L172 VanDerWaalsContact O-CB 3.26Å; K168-L172 WeakPolarHBondContact O-CB 3.33Å; K168-L172 PolarHBondContact O-N 2.99Å
169	K	90.3	Very high	90.4	Very high	127 Å²	127	67.5 Å²	67.5	55%	0.552	34%	0.335	S	S	*	.	H	α-helix	trans	-61.9	-45.7	179.1	-172	178.5	179.3	-179.8	0	112.5	D165 L166 I167 L172 Q173	D165-K169 PolarHBondContact O-N 3.03Å; L166-K169 PolarHBondContact O-N 3.11Å; I167-K169 VanDerWaalsContact C-N 3.31Å; I167-K169 PolarHBondContact O-N 3.03Å; K169-L172 WeakPolarHBondContact O-CB 3.4Å; K169-L172 PolarHBondContact O-N 3.38Å; K169-Q173 WeakPolarHBondContact O-CG 3.3Å; K169-Q173 PolarHBondContact O-N 3.29Å; K169-Q173 VanDerWaalsContact O-N 3.08Å
170	S	93.1	Very high	90.6	Very high	8 Å²	8	65.5 Å²	65.5	6%	0.056	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-40.9	177.3	-65.6	0	0	0	0	112.3	S154 L166 I167 L172 Q173 L174	S154-S170 WeakPolarHBondContact CB-OG 3.45Å; S154-S170 PolarHBondContact OG-OG 3.37Å; L166-S170 PolarHBondContact O-N 3.02Å; L166-S170 PolarHBondContact O-OG 3.38Å; I167-S170 PolarHBondContact O-N 3.02Å; S170-L172 VanDerWaalsContact C-N 3.32Å; S170-L172 PolarHBondContact O-N 3.17Å; S170-Q173 PolarHBondContact O-N 3.09Å; S170-L174 PolarHBondContact O-N 2.84Å; S170-L174 VanDerWaalsContact O-N 3.1Å
171	L	88.4	Confident	90.9	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.037	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-37.8	173.7	-70.6	170.9	0	0	0	112.1	I84 L92 V155 I167 K168 Q173 L174 I175 I190	I84-L171 HydrophobicContact CD1-CD1 3.69Å; I84-L171 HydrophobicContact CD1-CD2 3.96Å; I84-L171 HydrophobicContact CD1-CG 4.27Å; L92-L171 HydrophobicContact CD2-CB 3.59Å; L92-L171 HydrophobicContact CD2-CD1 3.5Å; L92-L171 VanDerWaalsContact CD2-CD1 3.5Å; L92-L171 HydrophobicContact CD2-CG 4.16Å; V155-L171 HydrophobicContact CG2-CD2 4.09Å; V155-L171 HydrophobicContact CG2-CG 4.07Å; I167-L171 HydrophobicContact CG2-CD1 3.82Å; I167-L171 HydrophobicContact CG2-CG 4.39Å; I167-L171 WeakPolarHBondContact O-CB 3.24Å; I167-L171 WeakPolarHBondContact O-CG 3.3Å; I167-L171 PolarHBondContact O-N 3.44Å; K168-L171 PolarHBondContact O-N 3.46Å; L171-Q173 VanDerWaalsContact C-N 3.33Å; L171-Q173 PolarHBondContact O-N 3.27Å; L171-L174 HydrophobicContact CD2-CD1 4.37Å; L171-L174 WeakPolarHBondContact O-CB 3.44Å; L171-L174 PolarHBondContact O-N 3.01Å; L171-I175 WeakPolarHBondContact O-CB 3.5Å; L171-I175 VanDerWaalsContact O-CG1 3.28Å; L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 3.13Å; L171-I190 HydrophobicContact CD2-CD1 4.04Å
172	L	87.4	Confident	91.2	Very high	68 Å²	68	62.4 Å²	62.4	36%	0.356	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-45.3	175.8	179.6	58.7	0	0	0	110.8	L96 K168 K169 S170 L174 I175 T176	L96-L172 HydrophobicContact CD1-CD1 3.66Å; L96-L172 HydrophobicContact CD2-CD1 3.48Å; L96-L172 VanDerWaalsContact CD2-CD1 3.48Å; L96-L172 HydrophobicContact CG-CD1 4.1Å; K168-L172 VanDerWaalsContact O-CB 3.26Å; K168-L172 WeakPolarHBondContact O-CB 3.33Å; K168-L172 PolarHBondContact O-N 2.99Å; K169-L172 WeakPolarHBondContact O-CB 3.4Å; K169-L172 PolarHBondContact O-N 3.38Å; S170-L172 VanDerWaalsContact C-N 3.32Å; S170-L172 PolarHBondContact O-N 3.17Å; L172-L174 PolarHBondContact O-N 3.08Å; L172-I175 PolarHBondContact O-N 3.31Å; L172-T176 HydrophobicContact CD1-CG2 3.61Å; L172-T176 HydrophobicContact CG-CG2 4.14Å; L172-T176 WeakPolarHBondContact O-CB 3.35Å; L172-T176 WeakPolarHBondContact O-CG2 3.32Å; L172-T176 PolarHBondContact O-N 3.45Å; L172-T176 PolarHBondContact O-OG1 3.29Å
173	Q	90.8	Very high	91.4	Very high	73 Å²	73	53.7 Å²	53.7	34%	0.341	26%	0.258	S	S	.	.	H	α-helix	trans	-60.6	-42.9	175.8	-72.4	177.1	-22.5	0	0	112.3	L151 K169 S170 L171 I175 T176 Q177	L151-Q173 HydrophobicContact CD1-CB 4.38Å; L151-Q173 HydrophobicContact CD2-CB 4.04Å; K169-Q173 WeakPolarHBondContact O-CG 3.3Å; K169-Q173 PolarHBondContact O-N 3.29Å; K169-Q173 VanDerWaalsContact O-N 3.08Å; S170-Q173 PolarHBondContact O-N 3.09Å; L171-Q173 VanDerWaalsContact C-N 3.33Å; L171-Q173 PolarHBondContact O-N 3.27Å; Q173-I175 VanDerWaalsContact C-N 3.33Å; Q173-I175 PolarHBondContact O-N 3.35Å; Q173-T176 PolarHBondContact O-OG1 3.35Å; Q173-Q177 WeakPolarHBondContact O-CB 3.3Å; Q173-Q177 WeakPolarHBondContact O-CG 3.4Å; Q173-Q177 PolarHBondContact O-N 3.42Å; Q173-Q177 VanDerWaalsContact O-N 3.15Å
174	L	92.4	Very high	91.7	Very high	4 Å²	4	47 Å²	47	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-44.9	174.2	-78.1	169.3	0	0	0	111.6	L143 V148 L151 L152 S170 L171 L172 S178 L186	L143-L174 HydrophobicContact CD1-CD2 4Å; V148-L174 HydrophobicContact CG1-CD2 4.48Å; V148-L174 HydrophobicContact CG2-CD2 4.36Å; L151-L174 HydrophobicContact CB-CD1 4.12Å; L151-L174 HydrophobicContact CB-CD2 3.81Å; L151-L174 HydrophobicContact CB-CG 3.81Å; L151-L174 HydrophobicContact CD1-CD2 3.58Å; L151-L174 HydrophobicContact CD1-CG 3.8Å; L151-L174 HydrophobicContact CG-CD2 4.34Å; L151-L174 HydrophobicContact CG-CG 4.38Å; L152-L174 HydrophobicContact CD2-CD1 4.07Å; L152-L174 HydrophobicContact CG-CD1 4.5Å; S170-L174 PolarHBondContact O-N 2.84Å; S170-L174 VanDerWaalsContact O-N 3.1Å; L171-L174 HydrophobicContact CD2-CD1 4.37Å; L171-L174 WeakPolarHBondContact O-CB 3.44Å; L171-L174 PolarHBondContact O-N 3.01Å; L172-L174 PolarHBondContact O-N 3.08Å; L174-S178 WeakPolarHBondContact O-CB 3.46Å; L174-S178 PolarHBondContact O-N 2.79Å; L174-S178 PolarHBondContact O-OG 2.89Å; L174-L186 HydrophobicContact CB-CD1 4.34Å; L174-L186 HydrophobicContact CD2-CD1 4.18Å; L174-L186 HydrophobicContact CD2-CD2 4.15Å
175	I	87.6	Confident	92.2	Very high	15 Å²	15	39.2 Å²	39.2	8%	0.077	20%	0.199	C	C	.	.	H	α-helix	trans	-71.2	-44.2	-177.1	-69.4	166.6	0	0	0	111.2	L92 Y93 L96 L171 L172 Q173 Q177 Q183	L92-I175 HydrophobicContact CD2-CD1 4.16Å; Y93-I175 HydrophobicContact CD1-CD1 4.31Å; Y93-I175 HydrophobicContact CE1-CD1 3.75Å; Y93-I175 HydrophobicContact CE1-CG1 3.96Å; Y93-I175 HydrophobicContact CE1-CG2 4.07Å; L96-I175 HydrophobicContact CD1-CB 4.45Å; L96-I175 HydrophobicContact CD1-CD1 3.54Å; L96-I175 HydrophobicContact CD1-CG2 4.35Å; L171-I175 WeakPolarHBondContact O-CB 3.5Å; L171-I175 VanDerWaalsContact O-CG1 3.28Å; L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 3.13Å; L172-I175 PolarHBondContact O-N 3.31Å; Q173-I175 VanDerWaalsContact C-N 3.33Å; Q173-I175 PolarHBondContact O-N 3.35Å; I175-Q177 VanDerWaalsContact C-N 3.3Å; I175-Q177 PolarHBondContact O-N 2.81Å; I175-Q183 PolarHBondContact O-NE2 3.38Å
176	T	87.4	Confident	92.6	Very high	67 Å²	67	33.3 Å²	33.3	41%	0.411	17%	0.168	S	C	.	.	H	α-helix	trans	-75.5	-16.2	-176.2	57	0	0	0	0	113.7	Q139 L172 Q173	Q139-T176 PolarHBondContact NE2-O 2.92Å; Q139-T176 PolarHBondContact OE1-O 2.69Å; L172-T176 HydrophobicContact CD1-CG2 3.61Å; L172-T176 HydrophobicContact CG-CG2 4.14Å; L172-T176 WeakPolarHBondContact O-CB 3.35Å; L172-T176 WeakPolarHBondContact O-CG2 3.32Å; L172-T176 PolarHBondContact O-N 3.45Å; L172-T176 PolarHBondContact O-OG1 3.29Å; Q173-T176 PolarHBondContact O-OG1 3.35Å
177	Q	93	Very high	92.8	Very high	70 Å²	70	30.2 Å²	30.2	33%	0.327	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	9.3	179.6	-59.8	-178.6	42.7	0	0	113.5	G141 S142 L143 Q173 I175	G141-Q177 VanDerWaalsContact CA-O 3.29Å; G141-Q177 WeakPolarHBondContact CA-O 3.3Å; S142-Q177 PolarHBondContact N-O 3.34Å; S142-Q177 VanDerWaalsContact N-O 3.07Å; L143-Q177 HydrophobicContact CD1-CB 4.09Å; L143-Q177 HydrophobicContact CD2-CB 3.94Å; L143-Q177 VanDerWaalsContact CD2-OE1 3.24Å; L143-Q177 HydrophobicContact CG-CB 3.8Å; Q173-Q177 WeakPolarHBondContact O-CB 3.3Å; Q173-Q177 WeakPolarHBondContact O-CG 3.4Å; Q173-Q177 PolarHBondContact O-N 3.42Å; Q173-Q177 VanDerWaalsContact O-N 3.15Å; I175-Q177 VanDerWaalsContact C-N 3.3Å; I175-Q177 PolarHBondContact O-N 2.81Å
178	S	95	Very high	93.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-121.7	144.3	179.2	-59.1	0	0	0	0	111.7	Q139 L174 Q183 L186	Q139-S178 PolarHBondContact NE2-O 3.24Å; L174-S178 WeakPolarHBondContact O-CB 3.46Å; L174-S178 PolarHBondContact O-N 2.79Å; L174-S178 PolarHBondContact O-OG 2.89Å; S178-Q183 PolarHBondContact O-NE2 3.47Å; S178-L186 WeakPolarHBondContact OG-CD1 3.13Å
179	S	95.9	Very high	93.7	Very high	24 Å²	24	26 Å²	26	17%	0.168	13%	0.133	C	C	.	.			trans	-68	164.9	169	68.8	0	0	0	0	112	Q139 L181 E182 Q183	Q139-S179 WeakPolarHBondContact O-CA 3.33Å; Q139-S179 WeakPolarHBondContact O-CB 3.36Å; S179-L181 PolarHBondContact O-N 3.23Å; S179-E182 WeakPolarHBondContact CB-OE2 3.44Å; S179-E182 PolarHBondContact N-OE2 2.89Å; S179-E182 PolarHBondContact O-N 2.82Å; S179-E182 WeakPolarHBondContact OG-CG 3.38Å; S179-E182 PolarHBondContact OG-N 2.92Å; S179-E182 PolarHBondContact OG-OE2 3.42Å; S179-Q183 WeakPolarHBondContact O-CG 3.48Å; S179-Q183 PolarHBondContact O-N 3.05Å
180	A	95.1	Very high	94	Very high	7 Å²	7	20.5 Å²	20.5	6%	0.058	11%	0.109	C	C	.	.	H	α-helix	trans	-56.3	-37.6	176.5	0	0	0	0	0	112.9	Y130 L133 C137 K184	Y130-A180 HydrophobicContact CD2-CB 4.15Å; Y130-A180 WeakPolarHBondContact CD2-O 3.5Å; Y130-A180 HydrophobicContact CE2-CB 4.17Å; L133-A180 HydrophobicContact CB-CB 3.83Å; C137-A180 HydrophobicContact CB-CB 4.35Å; A180-K184 PolarHBondContact O-N 3.12Å; A180-K184 VanDerWaalsContact O-N 3.12Å
181	L	96.2	Very high	94	Very high	50 Å²	50	22.7 Å²	22.7	26%	0.262	12%	0.119	S	C	.	.	H	α-helix	trans	-68.6	-43.2	179.2	179.6	62.4	0	0	0	111.8	E24 Y130 S179 Q183 K184 W185	E24-L181 HydrophobicContact CG-CD1 4.36Å; Y130-L181 HydrophobicContact CE2-CB 4.28Å; Y130-L181 HydrophobicContact CE2-CD1 4.45Å; S179-L181 PolarHBondContact O-N 3.23Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-K184 VanDerWaalsContact O-CB 3.29Å; L181-K184 WeakPolarHBondContact O-CB 3.45Å; L181-K184 PolarHBondContact O-N 2.92Å; L181-W185 VanDerWaalsContact O-CD1 3.31Å; L181-W185 PolarHBondContact O-N 3.04Å
182	E	97.6	Very high	94.3	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.014	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-42.1	175.9	-75.2	163.4	123.9	0	0	111.2	F16 A17 C20 G141 S179 K184 W185 L186	F16-E182 HydrophobicContact CD1-CB 3.88Å; F16-E182 HydrophobicContact CD1-CG 3.79Å; F16-E182 HydrophobicContact CE1-CB 3.75Å; F16-E182 HydrophobicContact CE1-CG 4.07Å; A17-E182 WeakPolarHBondContact CA-OE1 3.46Å; A17-E182 WeakPolarHBondContact CB-OE1 3.42Å; A17-E182 PolarHBondContact N-OE1 3.38Å; A17-E182 VanDerWaalsContact N-OE1 3.16Å; C20-E182 HydrophobicContact CB-CG 4.1Å; G141-E182 WeakPolarHBondContact CA-OE2 3.19Å; G141-E182 PolarHBondContact N-OE2 2.78Å; S179-E182 WeakPolarHBondContact CB-OE2 3.44Å; S179-E182 PolarHBondContact N-OE2 2.89Å; S179-E182 PolarHBondContact O-N 2.82Å; S179-E182 WeakPolarHBondContact OG-CG 3.38Å; S179-E182 PolarHBondContact OG-N 2.92Å; S179-E182 PolarHBondContact OG-OE2 3.42Å; E182-K184 VanDerWaalsContact C-N 3.3Å; E182-K184 PolarHBondContact O-N 2.64Å; E182-W185 PolarHBondContact O-N 2.81Å; E182-L186 WeakPolarHBondContact O-CG 3.26Å; E182-L186 PolarHBondContact O-N 3Å
183	Q	96.3	Very high	94.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.3	-36.4	176.1	-70.1	-176	48.1	0	0	112.9	Y93 L133 I175 S178 S179 L181 W185 L186 I187	Y93-Q183 PolarHBondContact OH-OE1 2.75Å; L133-Q183 HydrophobicContact CD1-CB 4Å; I175-Q183 PolarHBondContact O-NE2 3.38Å; S178-Q183 PolarHBondContact O-NE2 3.47Å; S179-Q183 WeakPolarHBondContact O-CG 3.48Å; S179-Q183 PolarHBondContact O-N 3.05Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; Q183-W185 VanDerWaalsContact C-N 3.26Å; Q183-W185 PolarHBondContact O-N 2.91Å; Q183-L186 PolarHBondContact O-N 3.37Å; Q183-I187 VanDerWaalsContact O-CG1 3.22Å; Q183-I187 WeakPolarHBondContact O-CG1 3.45Å; Q183-I187 PolarHBondContact O-N 3.3Å
184	K	96.4	Very high	94.7	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.017	12%	0.115	C	C	.	.	H	α-helix	trans	-54.5	-45.3	171.6	-171.6	-174.7	73.5	169.8	0	111.3	E24 A126 L127 Y130 A180 L181 E182 R188	E24-K184 IonicContact OE1-NZ 2.74Å; E24-K184 PolarHBondContact OE1-NZ 3.04Å; E24-K184 WeakPolarHBondContact OE2-CE 3.49Å; E24-K184 IonicContact OE2-NZ 3.6Å; E24-K184 PolarHBondContact OE2-NZ 3.17Å; A126-K184 HydrophobicContact CB-CG 4.08Å; L127-K184 HydrophobicContact CD1-CD 4.4Å; Y130-K184 HydrophobicContact CD2-CB 4.32Å; Y130-K184 HydrophobicContact CG-CB 4.49Å; Y130-K184 HydrophobicContact CG-CD 4.16Å; A180-K184 PolarHBondContact O-N 3.12Å; A180-K184 VanDerWaalsContact O-N 3.12Å; L181-K184 VanDerWaalsContact O-CB 3.29Å; L181-K184 WeakPolarHBondContact O-CB 3.45Å; L181-K184 PolarHBondContact O-N 2.92Å; E182-K184 VanDerWaalsContact C-N 3.3Å; E182-K184 PolarHBondContact O-N 2.64Å; K184-R188 PolarHBondContact O-N 3.18Å
185	W	98.1	Very high	94.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-75.2	-38.7	-179.3	-71.7	113.3	0	0	0	112.5	C20 L23 E24 Q27 L181 E182 Q183 I187 R188 M189 L194 L196	C20-W185 HydrophobicContact CB-CG 4.4Å; C20-W185 PolarHBondContact O-NE1 2.96Å; L23-W185 VanDerWaalsContact C-CZ2 3.42Å; L23-W185 HydrophobicContact CB-CD2 3.86Å; L23-W185 HydrophobicContact CB-CE3 4.02Å; L23-W185 HydrophobicContact CB-CH2 3.84Å; L23-W185 HydrophobicContact CB-CZ2 3.68Å; L23-W185 HydrophobicContact CB-CZ3 4.01Å; L23-W185 HydrophobicContact CD1-CD2 4.01Å; L23-W185 HydrophobicContact CD1-CE3 3.86Å; L23-W185 HydrophobicContact CD1-CG 4.35Å; L23-W185 HydrophobicContact CD1-CZ3 4.38Å; L23-W185 WeakPolarHBondContact O-CZ2 3.47Å; E24-W185 PolarHBondContact OE2-NE1 3.13Å; Q27-W185 HydrophobicContact CB-CH2 4Å; Q27-W185 HydrophobicContact CB-CZ2 4.26Å; L181-W185 VanDerWaalsContact O-CD1 3.31Å; L181-W185 PolarHBondContact O-N 3.04Å; E182-W185 PolarHBondContact O-N 2.81Å; Q183-W185 VanDerWaalsContact C-N 3.26Å; Q183-W185 PolarHBondContact O-N 2.91Å; W185-I187 VanDerWaalsContact C-N 3.33Å; W185-I187 PolarHBondContact O-N 2.82Å; W185-R188 VanDerWaalsContact CH2-NH1 3.31Å; W185-R188 WeakPolarHBondContact O-CB 3.36Å; W185-R188 PolarHBondContact O-N 2.82Å; W185-R188 VanDerWaalsContact O-N 3.09Å; W185-M189 HydrophobicContact CB-CE 4.22Å; W185-M189 VanDerWaalsContact O-CG 3.28Å; W185-M189 WeakPolarHBondContact O-CG 3.2Å; W185-M189 PolarHBondContact O-N 3.35Å; W185-L194 HydrophobicContact CE3-CG 4.32Å; W185-L194 HydrophobicContact CZ3-CB 4.21Å; W185-L194 HydrophobicContact CZ3-CG 4.2Å; W185-L194 WeakPolarHBondContact CZ3-O 3.48Å; W185-L196 HydrophobicContact CH2-CD2 3.62Å; W185-L196 HydrophobicContact CZ3-CD2 3.67Å
186	L	97.4	Very high	95	Very high	6 Å²	6	25 Å²	25	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-57.1	-45.6	172.5	-73.4	170.1	0	0	0	111.8	F16 V148 L174 S178 E182 Q183 R188 M189 I190	F16-L186 HydrophobicContact CE1-CD1 4.11Å; F16-L186 HydrophobicContact CE1-CD2 3.77Å; F16-L186 HydrophobicContact CE1-CG 3.6Å; F16-L186 HydrophobicContact CE2-CD2 4.38Å; F16-L186 HydrophobicContact CZ-CD2 3.59Å; F16-L186 HydrophobicContact CZ-CG 3.76Å; V148-L186 HydrophobicContact CG1-CD2 3.56Å; V148-L186 HydrophobicContact CG2-CD2 4.45Å; L174-L186 HydrophobicContact CB-CD1 4.34Å; L174-L186 HydrophobicContact CD2-CD1 4.18Å; L174-L186 HydrophobicContact CD2-CD2 4.15Å; S178-L186 WeakPolarHBondContact OG-CD1 3.13Å; E182-L186 WeakPolarHBondContact O-CG 3.26Å; E182-L186 PolarHBondContact O-N 3Å; Q183-L186 PolarHBondContact O-N 3.37Å; L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 PolarHBondContact O-N 2.85Å; L186-M189 PolarHBondContact O-N 2.81Å; L186-M189 VanDerWaalsContact O-N 3.17Å; L186-I190 VanDerWaalsContact O-CG1 3.32Å; L186-I190 WeakPolarHBondContact O-CG1 3.44Å; L186-I190 PolarHBondContact O-N 3.28Å
187	I	96.5	Very high	95.1	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-56.2	-46.7	175.3	-69.4	165.4	0	0	0	110	L89 Y93 F125 A126 A129 Q183 W185 M189 I190 I191	L89-I187 HydrophobicContact CD1-CG1 4.42Å; L89-I187 HydrophobicContact CD1-CG2 4.06Å; Y93-I187 HydrophobicContact CE2-CD1 3.73Å; Y93-I187 HydrophobicContact CE2-CG1 4.16Å; F125-I187 HydrophobicContact CD1-CG2 3.62Å; F125-I187 HydrophobicContact CE1-CD1 4.28Å; F125-I187 HydrophobicContact CE1-CG2 3.93Å; A126-I187 HydrophobicContact CB-CB 4.13Å; A126-I187 HydrophobicContact CB-CG2 3.76Å; A129-I187 HydrophobicContact CB-CD1 3.62Å; Q183-I187 VanDerWaalsContact O-CG1 3.22Å; Q183-I187 WeakPolarHBondContact O-CG1 3.45Å; Q183-I187 PolarHBondContact O-N 3.3Å; W185-I187 VanDerWaalsContact C-N 3.33Å; W185-I187 PolarHBondContact O-N 2.82Å; I187-M189 PolarHBondContact O-N 2.87Å; I187-I190 PolarHBondContact O-N 3Å; I187-I191 HydrophobicContact CG2-CG1 4.31Å; I187-I191 WeakPolarHBondContact O-CB 3.49Å; I187-I191 WeakPolarHBondContact O-CG1 3.45Å; I187-I191 PolarHBondContact O-N 3.14Å
188	R	96.3	Very high	95.1	Very high	10 Å²	10	23.3 Å²	23.3	4%	0.038	14%	0.136	C	C	.	.	H	α-helix	trans	-65.6	-35.5	178.8	-74.6	-178	173.7	164.9	-4.2	113.3	D124 A126 K184 W185 L186 K192 D193 L194	D124-R188 IonicContact OD2-CZ 2.8Å; D124-R188 IonicContact OD2-NE 3.63Å; D124-R188 IonicContact OD2-NH2 3.14Å; D124-R188 PolarHBondContact OD2-NH2 2.95Å; A126-R188 HydrophobicContact CB-CG 3.66Å; K184-R188 PolarHBondContact O-N 3.18Å; W185-R188 VanDerWaalsContact CH2-NH1 3.31Å; W185-R188 WeakPolarHBondContact O-CB 3.36Å; W185-R188 PolarHBondContact O-N 2.82Å; W185-R188 VanDerWaalsContact O-N 3.09Å; L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 PolarHBondContact O-N 2.85Å; R188-K192 WeakPolarHBondContact O-CA 3.47Å; R188-K192 PolarHBondContact O-N 3.07Å; R188-D193 WeakPolarHBondContact CB-O 3.23Å; R188-D193 WeakPolarHBondContact CG-O 3.41Å; R188-D193 PolarHBondContact O-N 2.95Å; R188-L194 HydrophobicContact CB-CD1 4.43Å; R188-L194 HydrophobicContact CB-CG 4.48Å
189	M	97.4	Very high	95	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-67.2	-41.5	174.6	-68	163.7	-175.7	0	0	111.6	F16 L19 L23 L70 W185 L186 I187 K192 L194	F16-M189 HydrophobicContact CE2-CE 3.75Å; F16-M189 HydrophobicContact CE2-SD 3.79Å; F16-M189 HydrophobicContact CZ-CE 3.9Å; F16-M189 HydrophobicContact CZ-SD 3.76Å; L19-M189 HydrophobicContact CD2-CE 4.2Å; L23-M189 HydrophobicContact CD1-CE 3.62Å; L70-M189 HydrophobicContact CB-CE 3.93Å; L70-M189 HydrophobicContact CB-CG 4.47Å; L70-M189 HydrophobicContact CB-SD 3.96Å; L70-M189 HydrophobicContact CD1-SD 4.39Å; L70-M189 HydrophobicContact CD2-SD 4.02Å; L70-M189 HydrophobicContact CG-SD 4.35Å; W185-M189 HydrophobicContact CB-CE 4.22Å; W185-M189 VanDerWaalsContact O-CG 3.28Å; W185-M189 WeakPolarHBondContact O-CG 3.2Å; W185-M189 PolarHBondContact O-N 3.35Å; L186-M189 PolarHBondContact O-N 2.81Å; L186-M189 VanDerWaalsContact O-N 3.17Å; I187-M189 PolarHBondContact O-N 2.87Å; M189-K192 PolarHBondContact O-N 2.94Å; M189-L194 HydrophobicContact CG-CD1 4.3Å
190	I	95.4	Very high	94.9	Very high	11 Å²	11	26.8 Å²	26.8	6%	0.056	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-44.1	175.9	-68.6	166.6	0	0	0	111.1	Y82 I84 L152 L171 L186 I187 K192	Y82-I190 HydrophobicContact CD2-CG2 4.16Å; Y82-I190 WeakPolarHBondContact CD2-O 3.36Å; Y82-I190 HydrophobicContact CG-CG2 4.48Å; I84-I190 HydrophobicContact CB-CG2 3.92Å; I84-I190 HydrophobicContact CD1-CG2 4.31Å; I84-I190 HydrophobicContact CG2-CG2 3.86Å; L152-I190 HydrophobicContact CD2-CD1 4.18Å; L152-I190 HydrophobicContact CD2-CG1 3.72Å; L171-I190 HydrophobicContact CD2-CD1 4.04Å; L186-I190 VanDerWaalsContact O-CG1 3.32Å; L186-I190 WeakPolarHBondContact O-CG1 3.44Å; L186-I190 PolarHBondContact O-N 3.28Å; I187-I190 PolarHBondContact O-N 3Å; I190-K192 PolarHBondContact O-N 3.06Å
191	I	93.3	Very high	94.8	Very high	53 Å²	53	30.2 Å²	30.2	27%	0.272	17%	0.171	S	C	.	.	H	α-helix	trans	-73	-15	176.8	-62.4	-61.5	0	0	0	112	E86 L89 I187 D193	E86-I191 HydrophobicContact CG-CD1 4.04Å; L89-I191 HydrophobicContact CD1-CD1 4.23Å; L89-I191 HydrophobicContact CD1-CG1 4.41Å; I187-I191 HydrophobicContact CG2-CG1 4.31Å; I187-I191 WeakPolarHBondContact O-CB 3.49Å; I187-I191 WeakPolarHBondContact O-CG1 3.45Å; I187-I191 PolarHBondContact O-N 3.14Å; I191-D193 HydrophobicContact CG2-CB 4.49Å
192	K	95.4	Very high	94.8	Very high	48 Å²	48	28.2 Å²	28.2	21%	0.209	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	37.7	-177.8	-51.9	-172.7	166.1	-162.5	0	113.8	P73 R188 M189 I190	P73-K192 HydrophobicContact CB-CB 4.25Å; P73-K192 HydrophobicContact CB-CG 4.16Å; P73-K192 HydrophobicContact CG-CB 4.26Å; P73-K192 VanDerWaalsContact O-CD 3.31Å; P73-K192 WeakPolarHBondContact O-CD 3.32Å; R188-K192 WeakPolarHBondContact O-CA 3.47Å; R188-K192 PolarHBondContact O-N 3.07Å; M189-K192 PolarHBondContact O-N 2.94Å; I190-K192 PolarHBondContact O-N 3.06Å
193	D	92.3	Very high	94.8	Very high	71 Å²	71	28.2 Å²	28.2	38%	0.38	16%	0.161	S	C	.	.			trans	-144.3	98.5	175.9	179.5	13.6	0	0	0	111.6	R188 I191 K195	R188-D193 WeakPolarHBondContact CB-O 3.23Å; R188-D193 WeakPolarHBondContact CG-O 3.41Å; R188-D193 PolarHBondContact O-N 2.95Å; I191-D193 HydrophobicContact CG2-CB 4.49Å; D193-K195 WeakPolarHBondContact OD1-CG 3.17Å; D193-K195 PolarHBondContact OD1-N 2.88Å; D193-K195 IonicContact OD1-NZ 3.25Å; D193-K195 IonicContact OD2-NZ 3.65Å; D193-K195 PolarHBondContact OD2-NZ 2.9Å
194	L	94.2	Very high	94.9	Very high	9 Å²	9	28.4 Å²	28.4	5%	0.047	16%	0.162	C	C	.	.			trans	-83.4	-20.9	-175.6	-87.9	65.4	0	0	0	114.8	L23 L70 I71 P73 W185 R188 M189 L196	L23-L194 HydrophobicContact CD1-CD2 4.1Å; L23-L194 HydrophobicContact CD2-CD2 4.2Å; L70-L194 WeakPolarHBondContact O-CD2 3.31Å; I71-L194 WeakPolarHBondContact O-CD2 3.21Å; P73-L194 HydrophobicContact CG-CD1 3.33Å; W185-L194 HydrophobicContact CE3-CG 4.32Å; W185-L194 HydrophobicContact CZ3-CB 4.21Å; W185-L194 HydrophobicContact CZ3-CG 4.2Å; W185-L194 WeakPolarHBondContact CZ3-O 3.48Å; R188-L194 HydrophobicContact CB-CD1 4.43Å; R188-L194 HydrophobicContact CB-CG 4.48Å; M189-L194 HydrophobicContact CG-CD1 4.3Å; L194-L196 VanDerWaalsContact C-N 3.33Å; L194-L196 HydrophobicContact CB-CD1 4.38Å; L194-L196 HydrophobicContact CB-CD2 4.08Å; L194-L196 HydrophobicContact CB-CG 3.8Å; L194-L196 HydrophobicContact CD2-CD1 4.06Å; L194-L196 HydrophobicContact CD2-CD2 4.37Å; L194-L196 HydrophobicContact CD2-CG 4.29Å; L194-L196 PolarHBondContact O-N 2.88Å
195	K	92.2	Very high	94.9	Very high	75 Å²	75	31.1 Å²	31.1	33%	0.326	18%	0.181	S	C	.	.			trans	52.3	43.7	-177.5	-50.9	-176.5	-176.1	-56.6	0	114.3	Q27 D193 G197	Q27-K195 PolarHBondContact NE2-O 3.19Å; D193-K195 WeakPolarHBondContact OD1-CG 3.17Å; D193-K195 PolarHBondContact OD1-N 2.88Å; D193-K195 IonicContact OD1-NZ 3.25Å; D193-K195 IonicContact OD2-NZ 3.65Å; D193-K195 PolarHBondContact OD2-NZ 2.9Å; K195-G197 VanDerWaalsContact C-N 3.29Å; K195-G197 PolarHBondContact O-N 3.27Å
196	L	92.8	Very high	94.8	Very high	14 Å²	14	32.1 Å²	32.1	7%	0.073	19%	0.187	C	C	.	.			trans	-73.1	-18.9	-178.6	-59.6	-178.5	0	0	0	114	L23 I26 K35 I71 W185 L194 V198	L23-L196 HydrophobicContact CB-CD2 4.34Å; L23-L196 HydrophobicContact CD2-CD1 3.93Å; L23-L196 HydrophobicContact CD2-CD2 3.96Å; I26-L196 HydrophobicContact CG2-CB 4.04Å; I26-L196 HydrophobicContact CG2-CD2 4.43Å; K35-L196 PolarHBondContact NZ-O 3.16Å; I71-L196 HydrophobicContact CG2-CD1 4.44Å; W185-L196 HydrophobicContact CH2-CD2 3.62Å; W185-L196 HydrophobicContact CZ3-CD2 3.67Å; L194-L196 VanDerWaalsContact C-N 3.33Å; L194-L196 HydrophobicContact CB-CD1 4.38Å; L194-L196 HydrophobicContact CB-CD2 4.08Å; L194-L196 HydrophobicContact CB-CG 3.8Å; L194-L196 HydrophobicContact CD2-CD1 4.06Å; L194-L196 HydrophobicContact CD2-CD2 4.37Å; L194-L196 HydrophobicContact CD2-CG 4.29Å; L194-L196 PolarHBondContact O-N 2.88Å; L196-V198 VanDerWaalsContact C-N 3.27Å; L196-V198 HydrophobicContact CB-CG1 3.68Å; L196-V198 HydrophobicContact CD1-CG1 4.35Å
197	G	90.9	Very high	94.9	Very high	68 Å²	68	32 Å²	32	70%	0.701	19%	0.186	S	C	*	.	S	Bend	trans	72.5	21.4	-173.2	0	0	0	0	0	113.4	K195	K195-G197 VanDerWaalsContact C-N 3.29Å; K195-G197 PolarHBondContact O-N 3.27Å
198	V	92	Very high	95	Very high	32 Å²	32	32.1 Å²	32.1	19%	0.194	19%	0.187	C	C	.	.	S	Bend	trans	-133.4	140.2	173.2	56.1	0	0	0	0	108.7	I26 K35 L196 T202 I203	I26-V198 HydrophobicContact CG2-CG1 4.21Å; K35-V198 HydrophobicContact CD-CB 4.44Å; L196-V198 VanDerWaalsContact C-N 3.27Å; L196-V198 HydrophobicContact CB-CG1 3.68Å; L196-V198 HydrophobicContact CD1-CG1 4.35Å; V198-T202 VanDerWaalsContact CG2-CB 3.46Å; V198-T202 HydrophobicContact CG2-CG2 3.5Å; V198-T202 VanDerWaalsContact CG2-CG2 3.5Å; V198-I203 HydrophobicContact CG1-CD1 3.94Å; V198-I203 HydrophobicContact CG1-CG1 4.36Å; V198-I203 HydrophobicContact CG2-CD1 4.23Å; V198-I203 HydrophobicContact CG2-CG1 4.43Å
199	S	93.6	Very high	94.9	Very high	53 Å²	53	38 Å²	38	37%	0.371	22%	0.219	S	C	.	.			trans	-77.3	154.3	-177.8	64.8	0	0	0	0	112	Q201 T202 I203	S199-Q201 PolarHBondContact O-N 2.92Å; S199-T202 WeakPolarHBondContact O-CB 3.4Å; S199-T202 PolarHBondContact O-N 2.85Å; S199-T202 PolarHBondContact OG-N 2.84Å; S199-T202 PolarHBondContact OG-OG1 2.97Å; S199-I203 PolarHBondContact O-N 3.32Å; S199-I203 VanDerWaalsContact O-N 3.13Å
200	Q	94.2	Very high	94.9	Very high	44 Å²	44	39.6 Å²	39.6	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-56.8	-36.3	172.8	69.3	-176.7	14.9	0	0	112.2	L72 T202 I203 L204	L72-Q200 HydrophobicContact CD2-CB 3.86Å; Q200-T202 VanDerWaalsContact C-N 3.29Å; Q200-T202 PolarHBondContact O-N 2.88Å; Q200-I203 PolarHBondContact O-N 3.2Å; Q200-L204 WeakPolarHBondContact O-CG 3.39Å; Q200-L204 PolarHBondContact O-N 2.72Å
201	Q	93.5	Very high	95	Very high	80 Å²	80	39 Å²	39	37%	0.374	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-39.9	176.6	-71.3	78.7	6.3	0	0	110.8	S199 L204 S205	S199-Q201 PolarHBondContact O-N 2.92Å; Q201-L204 PolarHBondContact O-N 2.88Å; Q201-S205 WeakPolarHBondContact O-CB 3.36Å; Q201-S205 PolarHBondContact O-N 2.87Å; Q201-S205 PolarHBondContact O-OG 2.88Å
202	T	95.4	Very high	95.2	Very high	7 Å²	7	38 Å²	38	4%	0.043	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-41.9	176.2	-56.1	0	0	0	0	111.3	R32 I36 V198 S199 Q200 S205 V206	R32-T202 PolarHBondContact NH2-OG1 3.46Å; I36-T202 HydrophobicContact CD1-CG2 3.77Å; I36-T202 HydrophobicContact CG1-CG2 3.84Å; V198-T202 VanDerWaalsContact CG2-CB 3.46Å; V198-T202 HydrophobicContact CG2-CG2 3.5Å; V198-T202 VanDerWaalsContact CG2-CG2 3.5Å; S199-T202 WeakPolarHBondContact O-CB 3.4Å; S199-T202 PolarHBondContact O-N 2.85Å; S199-T202 PolarHBondContact OG-N 2.84Å; S199-T202 PolarHBondContact OG-OG1 2.97Å; Q200-T202 VanDerWaalsContact C-N 3.29Å; Q200-T202 PolarHBondContact O-N 2.88Å; T202-S205 PolarHBondContact O-N 2.78Å; T202-V206 HydrophobicContact CG2-CG2 4.42Å; T202-V206 VanDerWaalsContact O-CG2 3.23Å; T202-V206 WeakPolarHBondContact O-CG2 3.42Å; T202-V206 PolarHBondContact O-N 2.84Å
203	I	97.8	Very high	95.2	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-48.7	177.3	-63.5	-61.9	0	0	0	110.8	F39 M68 I71 L72 V198 S199 Q200 V206 F207	F39-I203 HydrophobicContact CD1-CD1 3.99Å; F39-I203 HydrophobicContact CD2-CD1 4.49Å; F39-I203 HydrophobicContact CE1-CD1 4.29Å; F39-I203 HydrophobicContact CE1-CG2 3.89Å; F39-I203 HydrophobicContact CE2-CG2 4.37Å; F39-I203 HydrophobicContact CG-CD1 4.11Å; F39-I203 HydrophobicContact CZ-CG2 3.75Å; M68-I203 HydrophobicContact CE-CG2 4.21Å; M68-I203 HydrophobicContact SD-CG2 3.88Å; I71-I203 HydrophobicContact CG2-CG2 4.2Å; L72-I203 HydrophobicContact CD1-CB 4.36Å; L72-I203 HydrophobicContact CD1-CG2 3.93Å; L72-I203 HydrophobicContact CD2-CB 4.26Å; L72-I203 HydrophobicContact CD2-CG1 4.28Å; L72-I203 HydrophobicContact CD2-CG2 4.29Å; L72-I203 HydrophobicContact CG-CG2 4.2Å; V198-I203 HydrophobicContact CG1-CD1 3.94Å; V198-I203 HydrophobicContact CG1-CG1 4.36Å; V198-I203 HydrophobicContact CG2-CD1 4.23Å; V198-I203 HydrophobicContact CG2-CG1 4.43Å; S199-I203 PolarHBondContact O-N 3.32Å; S199-I203 VanDerWaalsContact O-N 3.13Å; Q200-I203 PolarHBondContact O-N 3.2Å; I203-V206 PolarHBondContact O-N 2.75Å; I203-F207 PolarHBondContact O-N 3.49Å
204	L	97.6	Very high	95.4	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-45.4	177.9	-68	174.2	0	0	0	111.7	L72 Q200 Q201 V206 F207 H208 A211 V212 H215 L221	L72-L204 HydrophobicContact CD1-CD2 4.16Å; L72-L204 HydrophobicContact CD1-CG 4.27Å; Q200-L204 WeakPolarHBondContact O-CG 3.39Å; Q200-L204 PolarHBondContact O-N 2.72Å; Q201-L204 PolarHBondContact O-N 2.88Å; L204-V206 VanDerWaalsContact C-N 3.28Å; L204-V206 PolarHBondContact O-N 2.74Å; L204-F207 WeakPolarHBondContact O-CA 3.44Å; L204-F207 WeakPolarHBondContact O-CB 3.33Å; L204-F207 PolarHBondContact O-N 2.7Å; L204-H208 PolarHBondContact O-N 2.92Å; L204-A211 HydrophobicContact CB-CB 4.01Å; L204-A211 HydrophobicContact CD2-CB 4.25Å; L204-A211 WeakPolarHBondContact O-CB 3.3Å; L204-V212 HydrophobicContact CB-CG2 3.68Å; L204-V212 HydrophobicContact CD1-CG2 4.34Å; L204-H215 HydrophobicContact CD1-CB 4.18Å; L204-L221 HydrophobicContact CD2-CD2 4.37Å
205	S	96.3	Very high	95.6	Very high	61 Å²	61	37.4 Å²	37.4	43%	0.427	22%	0.217	S	C	.	.	H	α-helix	trans	-64.4	-29.3	177.4	-63.1	0	0	0	0	113.7	Q201 T202	Q201-S205 WeakPolarHBondContact O-CB 3.36Å; Q201-S205 PolarHBondContact O-N 2.87Å; Q201-S205 PolarHBondContact O-OG 2.88Å; T202-S205 PolarHBondContact O-N 2.78Å
206	V	97.4	Very high	95.8	Very high	21 Å²	21	34.6 Å²	34.6	13%	0.127	21%	0.205	C	C	.	.	H	α-helix	trans	-75.5	-31.7	172.3	173.9	0	0	0	0	111.1	I36 F39 R40 T202 I203 L204	I36-V206 HydrophobicContact CB-CG2 4.41Å; I36-V206 HydrophobicContact CD1-CG2 4.37Å; I36-V206 HydrophobicContact CG1-CG2 4.05Å; I36-V206 HydrophobicContact CG2-CG1 4.32Å; I36-V206 HydrophobicContact CG2-CG2 3.66Å; F39-V206 HydrophobicContact CD1-CB 3.95Å; F39-V206 HydrophobicContact CD1-CG1 3.58Å; F39-V206 HydrophobicContact CE1-CB 3.98Å; F39-V206 HydrophobicContact CE1-CG1 3.83Å; R40-V206 HydrophobicContact CB-CG1 4.38Å; T202-V206 HydrophobicContact CG2-CG2 4.42Å; T202-V206 VanDerWaalsContact O-CG2 3.23Å; T202-V206 WeakPolarHBondContact O-CG2 3.42Å; T202-V206 PolarHBondContact O-N 2.84Å; I203-V206 PolarHBondContact O-N 2.75Å; L204-V206 VanDerWaalsContact C-N 3.28Å; L204-V206 PolarHBondContact O-N 2.74Å
207	F	98.2	Very high	96	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-67.5	-51.8	176.7	177.7	-100.6	0	0	0	111.9	L43 R47 F64 M68 I203 L204 A211 V224 C225 L228	L43-F207 HydrophobicContact CD1-CD2 3.78Å; L43-F207 HydrophobicContact CD1-CE2 3.99Å; L43-F207 HydrophobicContact CD2-CB 4.45Å; L43-F207 HydrophobicContact CD2-CD2 3.98Å; R47-F207 PolarHBondContact NH1-O 3.39Å; R47-F207 PolarHBondContact NH2-O 3.35Å; F64-F207 HydrophobicContact CB-CE2 3.75Å; F64-F207 HydrophobicContact CB-CZ 4.39Å; F64-F207 AromaticContact CD1-CD2 4Å; F64-F207 HydrophobicContact CD1-CD2 4Å; F64-F207 AromaticContact CD1-CE2 3.87Å; F64-F207 HydrophobicContact CD1-CE2 3.87Å; F64-F207 HydrophobicContact CG-CE2 4.07Å; M68-F207 HydrophobicContact CE-CB 3.85Å; M68-F207 HydrophobicContact CE-CD1 4.38Å; M68-F207 HydrophobicContact CE-CD2 3.73Å; M68-F207 HydrophobicContact CE-CE2 4.44Å; M68-F207 HydrophobicContact CE-CG 3.71Å; I203-F207 PolarHBondContact O-N 3.49Å; L204-F207 WeakPolarHBondContact O-CA 3.44Å; L204-F207 WeakPolarHBondContact O-CB 3.33Å; L204-F207 PolarHBondContact O-N 2.7Å; F207-A211 HydrophobicContact CD1-CB 4.06Å; F207-V224 HydrophobicContact CE1-CG1 4.37Å; F207-C225 HydrophobicContact CZ-CB 4.29Å; F207-L228 HydrophobicContact CE1-CB 4.18Å; F207-L228 WeakPolarHBondContact CE1-O 3.24Å
208	H	98.1	Very high	96.3	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.032	17%	0.173	C	C	.	.			trans	-160	148.6	176.5	-167.6	-77.8	0	0	0	110.4	L204 D210 A211 L228 D230 V233	L204-H208 PolarHBondContact O-N 2.92Å; H208-D210 VanDerWaalsContact C-N 3.31Å; H208-D210 IonicContact CE1-OD2 3.03Å; H208-D210 PolarHBondContact CE1-OD2 2.89Å; H208-D210 WeakPolarHBondContact ND1-CB 3.23Å; H208-D210 PolarHBondContact ND1-N 3.47Å; H208-D210 PolarHBondContact O-N 2.84Å; H208-A211 HydrophobicContact CB-CB 4.01Å; H208-A211 WeakPolarHBondContact O-CB 3.36Å; H208-A211 PolarHBondContact O-N 2.98Å; H208-L228 HydrophobicContact CB-CB 3.96Å; H208-L228 HydrophobicContact CB-CD1 4.13Å; H208-D230 PolarHBondContact CD2-O 3.09Å; H208-D230 VanDerWaalsContact CD2-O 3.28Å; H208-D230 PolarHBondContact NE2-O 2.82Å; H208-V233 PolarHBondContact NE2-O 2.62Å; H208-V233 VanDerWaalsContact NE2-O 3.1Å
209	N	95.9	Very high	96.5	Very high	134 Å²	134	30.2 Å²	30.2	72%	0.717	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-45.1	178.9	-67	-28.3	0	0	0	112	A211	N209-A211 PolarHBondContact O-N 2.86Å
210	D	96.8	Very high	96.6	Very high	33 Å²	33	30.6 Å²	30.6	18%	0.176	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-8	-178.8	-58.5	-6.4	0	0	0	115.3	H208 V212 E213 L214 L228 G234 L235 I238	H208-D210 VanDerWaalsContact C-N 3.31Å; H208-D210 IonicContact CE1-OD2 3.03Å; H208-D210 PolarHBondContact CE1-OD2 2.89Å; H208-D210 WeakPolarHBondContact ND1-CB 3.23Å; H208-D210 PolarHBondContact ND1-N 3.47Å; H208-D210 PolarHBondContact O-N 2.84Å; D210-V212 VanDerWaalsContact C-N 3.29Å; D210-V212 PolarHBondContact O-N 2.66Å; D210-E213 PolarHBondContact O-N 3.49Å; D210-E213 VanDerWaalsContact O-N 3.13Å; D210-L214 WeakPolarHBondContact O-CB 3.46Å; D210-L214 PolarHBondContact O-N 3.27Å; D210-L228 HydrophobicContact CB-CD1 3.89Å; D210-L228 HydrophobicContact CB-CD2 4.12Å; D210-G234 WeakPolarHBondContact OD2-CA 3.46Å; D210-L235 PolarHBondContact OD2-N 2.99Å; D210-I238 HydrophobicContact CB-CD1 3.66Å
211	A	97.4	Very high	96.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.6	-33.6	-170.4	0	0	0	0	0	113.4	L204 F207 H208 N209 H215 V224 L228	L204-A211 HydrophobicContact CB-CB 4.01Å; L204-A211 HydrophobicContact CD2-CB 4.25Å; L204-A211 WeakPolarHBondContact O-CB 3.3Å; F207-A211 HydrophobicContact CD1-CB 4.06Å; H208-A211 HydrophobicContact CB-CB 4.01Å; H208-A211 WeakPolarHBondContact O-CB 3.36Å; H208-A211 PolarHBondContact O-N 2.98Å; N209-A211 PolarHBondContact O-N 2.86Å; A211-H215 WeakPolarHBondContact O-CB 3.38Å; A211-H215 PolarHBondContact O-N 2.86Å; A211-V224 HydrophobicContact CB-CG1 3.88Å; A211-L228 VanDerWaalsContact CA-CD1 3.47Å; A211-L228 HydrophobicContact CB-CD1 4Å
212	V	96.8	Very high	96.9	Very high	32 Å²	32	28.6 Å²	28.6	19%	0.194	15%	0.154	C	C	.	.	H	α-helix	trans	-66.3	-45	176.8	175.5	0	0	0	0	110.6	L204 D210 N216	L204-V212 HydrophobicContact CB-CG2 3.68Å; L204-V212 HydrophobicContact CD1-CG2 4.34Å; D210-V212 VanDerWaalsContact C-N 3.29Å; D210-V212 PolarHBondContact O-N 2.66Å; V212-N216 PolarHBondContact O-N 3.17Å; V212-N216 VanDerWaalsContact O-N 3.09Å; V212-N216 PolarHBondContact O-ND2 3.49Å; V212-N216 PolarHBondContact O-OD1 3.47Å
213	E	95.6	Very high	96.9	Very high	108 Å²	108	30.4 Å²	30.4	51%	0.505	16%	0.161	S	C	.	.	H	α-helix	trans	-69.1	-47.5	-177.7	-169.8	169.3	-165.6	0	0	111.2	D210 H215 N216 V217 I238	D210-E213 PolarHBondContact O-N 3.49Å; D210-E213 VanDerWaalsContact O-N 3.13Å; E213-H215 VanDerWaalsContact C-N 3.35Å; E213-H215 PolarHBondContact O-N 2.98Å; E213-N216 WeakPolarHBondContact O-CB 3.35Å; E213-N216 PolarHBondContact O-N 3.4Å; E213-V217 PolarHBondContact O-N 2.61Å; E213-I238 HydrophobicContact CB-CD1 4.21Å; E213-I238 HydrophobicContact CB-CG2 4.42Å; E213-I238 HydrophobicContact CG-CB 4.18Å; E213-I238 HydrophobicContact CG-CD1 4.3Å; E213-I238 HydrophobicContact CG-CG2 3.84Å
214	L	97	Very high	96.9	Very high	7 Å²	7	30.2 Å²	30.2	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-59.2	-46.4	176.4	-176.9	61.4	0	0	0	111.3	D210 N216 V217 T218 V224 Q227 L228 L235 I238	D210-L214 WeakPolarHBondContact O-CB 3.46Å; D210-L214 PolarHBondContact O-N 3.27Å; L214-N216 PolarHBondContact O-N 2.64Å; L214-V217 HydrophobicContact CD1-CG2 4.37Å; L214-V217 VanDerWaalsContact O-CG2 3.27Å; L214-V217 WeakPolarHBondContact O-CG2 3.4Å; L214-V217 PolarHBondContact O-N 2.69Å; L214-V217 VanDerWaalsContact O-N 3.12Å; L214-T218 HydrophobicContact CD1-CG2 3.88Å; L214-T218 HydrophobicContact CG-CG2 4.36Å; L214-T218 WeakPolarHBondContact O-CG2 3.15Å; L214-T218 PolarHBondContact O-N 3.19Å; L214-T218 PolarHBondContact O-OG1 2.84Å; L214-V224 HydrophobicContact CB-CG2 4.27Å; L214-V224 HydrophobicContact CD2-CB 4.41Å; L214-V224 HydrophobicContact CD2-CG2 4.03Å; L214-V224 HydrophobicContact CG-CG2 3.92Å; L214-Q227 HydrophobicContact CD2-CB 4.13Å; L214-L228 HydrophobicContact CB-CD1 4.17Å; L214-L228 HydrophobicContact CD2-CD1 3.69Å; L214-L228 HydrophobicContact CD2-CG 3.79Å; L214-L235 HydrophobicContact CD1-CD1 4.12Å; L214-L235 HydrophobicContact CD2-CD1 3.84Å; L214-L235 HydrophobicContact CG-CD1 4.49Å; L214-I238 HydrophobicContact CB-CD1 4.43Å; L214-I238 HydrophobicContact CB-CG2 4.3Å; L214-I238 HydrophobicContact CD1-CG2 4.21Å
215	H	97.7	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-32	176.7	178.3	-92.9	0	0	0	112.6	L204 A211 E213 V217 T219 V224 K247	L204-H215 HydrophobicContact CD1-CB 4.18Å; A211-H215 WeakPolarHBondContact O-CB 3.38Å; A211-H215 PolarHBondContact O-N 2.86Å; E213-H215 VanDerWaalsContact C-N 3.35Å; E213-H215 PolarHBondContact O-N 2.98Å; H215-V217 VanDerWaalsContact C-N 3.28Å; H215-V217 PolarHBondContact O-N 2.96Å; H215-T219 WeakPolarHBondContact O-CA 3.45Å; H215-T219 PolarHBondContact O-N 2.87Å; H215-V224 HydrophobicContact CB-CG2 3.87Å; H215-K247 WeakPolarHBondContact CE1-CE 3.44Å
216	N	97.4	Very high	96.8	Very high	15 Å²	15	32.9 Å²	32.9	8%	0.08	16%	0.161	C	C	.	.	H	α-helix	trans	-70.1	-24.7	178.6	-69.1	-17.6	0	0	0	112.8	V212 E213 L214 F246 K247 P440 D441	V212-N216 PolarHBondContact O-N 3.17Å; V212-N216 VanDerWaalsContact O-N 3.09Å; V212-N216 PolarHBondContact O-ND2 3.49Å; V212-N216 PolarHBondContact O-OD1 3.47Å; E213-N216 WeakPolarHBondContact O-CB 3.35Å; E213-N216 PolarHBondContact O-N 3.4Å; L214-N216 PolarHBondContact O-N 2.64Å; N216-F246 CarbonylContact O-C 3.58Å; N216-F246 WeakPolarHBondContact O-CA 3.46Å; N216-K247 PolarHBondContact O-N 3.5Å; N216-K247 PolarHBondContact OD1-NZ 2.79Å; N216-P440 HydrophobicContact CB-CB 4.2Å; N216-D441 HydrophobicContact CB-CB 4.44Å; N216-D441 PolarHBondContact OD1-OD2 3.03Å
217	V	97.4	Very high	96.7	Very high	9 Å²	9	35.4 Å²	35.4	6%	0.055	17%	0.171	C	C	.	.	H	α-helix	trans	-99.2	-10.2	177	-60.9	0	0	0	0	114	E213 L214 H215 I238 I240 P440	E213-V217 PolarHBondContact O-N 2.61Å; L214-V217 HydrophobicContact CD1-CG2 4.37Å; L214-V217 VanDerWaalsContact O-CG2 3.27Å; L214-V217 WeakPolarHBondContact O-CG2 3.4Å; L214-V217 PolarHBondContact O-N 2.69Å; L214-V217 VanDerWaalsContact O-N 3.12Å; H215-V217 VanDerWaalsContact C-N 3.28Å; H215-V217 PolarHBondContact O-N 2.96Å; V217-I238 HydrophobicContact CG2-CG2 3.56Å; V217-I240 HydrophobicContact CG1-CG1 4.17Å; V217-P440 HydrophobicContact CG1-CG 4.08Å
218	T	95.5	Very high	96.6	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.049	17%	0.171	C	C	.	.	H	α-helix	trans	-117.2	-28.6	180	65.4	0	0	0	0	115	L214 D220 K223 A245	L214-T218 HydrophobicContact CD1-CG2 3.88Å; L214-T218 HydrophobicContact CG-CG2 4.36Å; L214-T218 WeakPolarHBondContact O-CG2 3.15Å; L214-T218 PolarHBondContact O-N 3.19Å; L214-T218 PolarHBondContact O-OG1 2.84Å; T218-D220 PolarHBondContact O-N 3.35Å; T218-D220 VanDerWaalsContact O-N 3.09Å; T218-D220 PolarHBondContact OG1-N 3.34Å; T218-K223 HydrophobicContact CG2-CD 3.77Å; T218-K223 HydrophobicContact CG2-CG 4.45Å; T218-A245 CarbonylContact C-O 3.57Å; T218-A245 WeakPolarHBondContact CA-O 3.45Å
219	T	96.6	Very high	96.5	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.037	18%	0.178	C	C	.	.			trans	47.3	32.5	-168.6	-40.3	0	0	0	0	112.6	R77 H215 A245	R77-T219 HydrophobicContact CG-CG2 4.47Å; H215-T219 WeakPolarHBondContact O-CA 3.45Å; H215-T219 PolarHBondContact O-N 2.87Å; T219-A245 WeakPolarHBondContact CB-O 3.41Å; T219-A245 PolarHBondContact N-O 3.2Å; T219-A245 VanDerWaalsContact N-O 3.14Å; T219-A245 PolarHBondContact OG1-O 2.78Å
220	D	96.4	Very high	96.3	Very high	60 Å²	60	33.9 Å²	33.9	32%	0.321	16%	0.162	S	C	.	.			trans	-131	108	-171.5	-178.1	-18.3	0	0	0	109.4	T218 E222 K223 V224	T218-D220 PolarHBondContact O-N 3.35Å; T218-D220 VanDerWaalsContact O-N 3.09Å; T218-D220 PolarHBondContact OG1-N 3.34Å; D220-E222 VanDerWaalsContact C-N 3.35Å; D220-E222 WeakPolarHBondContact OD1-CA 3.37Å; D220-E222 WeakPolarHBondContact OD1-CB 3.39Å; D220-E222 PolarHBondContact OD1-N 3.1Å; D220-K223 HydrophobicContact CB-CB 3.94Å; D220-K223 PolarHBondContact OD1-N 3.18Å; D220-V224 WeakPolarHBondContact O-CG2 3.26Å; D220-V224 PolarHBondContact O-N 3.02Å; D220-V224 VanDerWaalsContact O-N 3.15Å
221	L	96.8	Very high	96.2	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-69.1	-31	179.1	-76.2	-176.2	0	0	0	113.1	Y65 M68 L72 L75 L204 C225	Y65-L221 HydrophobicContact CD2-CB 3.9Å; Y65-L221 HydrophobicContact CE2-CB 3.79Å; M68-L221 HydrophobicContact CG-CD1 4.25Å; M68-L221 HydrophobicContact CG-CD2 4.12Å; L72-L221 HydrophobicContact CB-CD1 4.27Å; L72-L221 HydrophobicContact CD1-CD2 4.47Å; L75-L221 HydrophobicContact CB-CD1 3.75Å; L75-L221 HydrophobicContact CB-CD2 4.3Å; L75-L221 HydrophobicContact CB-CG 3.97Å; L75-L221 HydrophobicContact CD1-CD2 4.06Å; L204-L221 HydrophobicContact CD2-CD2 4.37Å; L221-C225 WeakPolarHBondContact O-CB 3.36Å; L221-C225 PolarHBondContact O-N 2.85Å; L221-C225 PolarHBondContact O-SG 2.84Å
222	E	96.7	Very high	96	Very high	78 Å²	78	40.1 Å²	40.1	36%	0.364	21%	0.207	S	C	.	.	H	α-helix	trans	-69.4	-48.6	179.7	-172.5	-173.1	176.6	0	0	109.4	Y65 D220 V224 C225 R226	Y65-E222 HydrophobicContact CD1-CB 3.97Å; Y65-E222 HydrophobicContact CD1-CG 3.86Å; Y65-E222 VanDerWaalsContact CD2-CA 3.4Å; Y65-E222 HydrophobicContact CD2-CB 3.71Å; Y65-E222 HydrophobicContact CD2-CG 4.37Å; Y65-E222 VanDerWaalsContact CD2-N 3.35Å; Y65-E222 HydrophobicContact CE1-CB 4.09Å; Y65-E222 HydrophobicContact CE1-CG 4.26Å; Y65-E222 HydrophobicContact CE2-CB 3.83Å; Y65-E222 HydrophobicContact CG-CB 3.78Å; Y65-E222 HydrophobicContact CG-CG 3.92Å; D220-E222 VanDerWaalsContact C-N 3.35Å; D220-E222 WeakPolarHBondContact OD1-CA 3.37Å; D220-E222 WeakPolarHBondContact OD1-CB 3.39Å; D220-E222 PolarHBondContact OD1-N 3.1Å; E222-V224 VanDerWaalsContact C-N 3.27Å; E222-V224 PolarHBondContact O-N 3.42Å; E222-C225 PolarHBondContact O-N 3.32Å; E222-C225 VanDerWaalsContact O-N 3.17Å; E222-R226 VanDerWaalsContact O-CB 3.28Å; E222-R226 WeakPolarHBondContact O-CB 3.41Å; E222-R226 PolarHBondContact O-N 3.39Å
223	K	95.5	Very high	95.7	Very high	45 Å²	45	42.6 Å²	42.6	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-40.8	175.5	-170.7	169.6	176.3	-175.9	0	111.6	T218 D220 Q227 S244	T218-K223 HydrophobicContact CG2-CD 3.77Å; T218-K223 HydrophobicContact CG2-CG 4.45Å; D220-K223 HydrophobicContact CB-CB 3.94Å; D220-K223 PolarHBondContact OD1-N 3.18Å; K223-Q227 VanDerWaalsContact CE-NE2 3.35Å; K223-Q227 HydrophobicContact CG-CG 4.32Å; K223-Q227 WeakPolarHBondContact O-CB 3.47Å; K223-Q227 WeakPolarHBondContact O-CG 3.49Å; K223-Q227 PolarHBondContact O-N 2.76Å; K223-S244 PolarHBondContact NZ-OG 2.84Å
224	V	97.2	Very high	95.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-49.9	174.8	170.6	0	0	0	0	111.6	F207 A211 L214 H215 D220 E222 R226 L228	F207-V224 HydrophobicContact CE1-CG1 4.37Å; A211-V224 HydrophobicContact CB-CG1 3.88Å; L214-V224 HydrophobicContact CB-CG2 4.27Å; L214-V224 HydrophobicContact CD2-CB 4.41Å; L214-V224 HydrophobicContact CD2-CG2 4.03Å; L214-V224 HydrophobicContact CG-CG2 3.92Å; H215-V224 HydrophobicContact CB-CG2 3.87Å; D220-V224 WeakPolarHBondContact O-CG2 3.26Å; D220-V224 PolarHBondContact O-N 3.02Å; D220-V224 VanDerWaalsContact O-N 3.15Å; E222-V224 VanDerWaalsContact C-N 3.27Å; E222-V224 PolarHBondContact O-N 3.42Å; V224-R226 VanDerWaalsContact C-N 3.27Å; V224-R226 PolarHBondContact O-N 2.76Å; V224-L228 HydrophobicContact CG1-CD1 4.42Å; V224-L228 WeakPolarHBondContact O-CB 3.23Å; V224-L228 PolarHBondContact O-N 2.63Å; V224-L228 VanDerWaalsContact O-N 3.08Å
225	C	97.6	Very high	95.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-32.7	-178.4	-67.9	0	0	0	0	112.8	F207 L221 E222	F207-C225 HydrophobicContact CZ-CB 4.29Å; L221-C225 WeakPolarHBondContact O-CB 3.36Å; L221-C225 PolarHBondContact O-N 2.85Å; L221-C225 PolarHBondContact O-SG 2.84Å; E222-C225 PolarHBondContact O-N 3.32Å; E222-C225 VanDerWaalsContact O-N 3.17Å
226	R	95.5	Very high	94.5	Very high	122 Å²	122	48.9 Å²	48.9	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-79.8	-46.1	-179	-170.4	179.2	63.4	78.9	-3.9	112.5	E222 V224	E222-R226 VanDerWaalsContact O-CB 3.28Å; E222-R226 WeakPolarHBondContact O-CB 3.41Å; E222-R226 PolarHBondContact O-N 3.39Å; V224-R226 VanDerWaalsContact C-N 3.27Å; V224-R226 PolarHBondContact O-N 2.76Å
227	Q	94.8	Very high	93.9	Very high	74 Å²	74	52.7 Å²	52.7	35%	0.346	30%	0.301	S	S	.	.	H	α-helix	trans	-74.6	-30.9	-178	-68.6	-172.3	-2	0	0	113	L214 K223 L235	L214-Q227 HydrophobicContact CD2-CB 4.13Å; K223-Q227 VanDerWaalsContact CE-NE2 3.35Å; K223-Q227 HydrophobicContact CG-CG 4.32Å; K223-Q227 WeakPolarHBondContact O-CB 3.47Å; K223-Q227 WeakPolarHBondContact O-CG 3.49Å; K223-Q227 PolarHBondContact O-N 2.76Å; Q227-L235 HydrophobicContact CB-CD1 4.48Å
228	L	96.4	Very high	93.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	36.1	-178.2	-58.6	177.7	0	0	0	111.6	F207 H208 D210 A211 L214 V224 L235	F207-L228 HydrophobicContact CE1-CB 4.18Å; F207-L228 WeakPolarHBondContact CE1-O 3.24Å; H208-L228 HydrophobicContact CB-CB 3.96Å; H208-L228 HydrophobicContact CB-CD1 4.13Å; D210-L228 HydrophobicContact CB-CD1 3.89Å; D210-L228 HydrophobicContact CB-CD2 4.12Å; A211-L228 VanDerWaalsContact CA-CD1 3.47Å; A211-L228 HydrophobicContact CB-CD1 4Å; L214-L228 HydrophobicContact CB-CD1 4.17Å; L214-L228 HydrophobicContact CD2-CD1 3.69Å; L214-L228 HydrophobicContact CD2-CG 3.79Å; V224-L228 HydrophobicContact CG1-CD1 4.42Å; V224-L228 WeakPolarHBondContact O-CB 3.23Å; V224-L228 PolarHBondContact O-N 2.63Å; V224-L228 VanDerWaalsContact O-N 3.08Å; L228-L235 HydrophobicContact CD2-CD1 3.75Å; L228-L235 HydrophobicContact CD2-CG 3.69Å; L228-L235 HydrophobicContact CG-CD1 4.41Å
229	H	95	Very high	93.7	Very high	39 Å²	39	53.6 Å²	53.6	18%	0.181	31%	0.306	C	S	.	.			trans	-60.3	-51.5	-179.7	177.9	80.2	0	0	0	111	R47 H50	R47-H229 PolarHBondContact NE-O 2.94Å; R47-H229 VanDerWaalsContact NE-O 3.07Å; R47-H229 PolarHBondContact NH2-O 3.41Å; R47-H229 VanDerWaalsContact NH2-O 3.15Å; H50-H229 AromaticContact CD2-CE1 3.6Å; H50-H229 AromaticContact CE1-CE1 3.39Å; H50-H229 PolarHBondContact CE1-CE1 3.21Å; H50-H229 AromaticContact CE1-NE2 3.39Å; H50-H229 PolarHBondContact CE1-NE2 3.27Å; H50-H229 AromaticContact CG-CE1 3.43Å; H50-H229 VanDerWaalsContact CG-CE1 3.43Å; H50-H229 AromaticContact CG-NE2 3.77Å; H50-H229 AromaticContact ND1-CE1 3.33Å; H50-H229 PolarHBondContact ND1-CE1 2.91Å; H50-H229 VanDerWaalsContact ND1-CE1 3.33Å; H50-H229 AromaticContact ND1-NE2 3.21Å; H50-H229 PolarHBondContact ND1-NE2 3.23Å; H50-H229 AromaticContact NE2-CE1 3.55Å
230	D	92.8	Very high	93.7	Very high	71 Å²	71	54 Å²	54	38%	0.38	31%	0.308	S	S	.	.	S	Bend	trans	-76	118.3	175.3	-172.8	-26.4	0	0	0	110	H208 S232 V233	H208-D230 PolarHBondContact CD2-O 3.09Å; H208-D230 VanDerWaalsContact CD2-O 3.28Å; H208-D230 PolarHBondContact NE2-O 2.82Å; D230-S232 PolarHBondContact O-N 3.19Å; D230-S232 WeakPolarHBondContact OD1-CB 3.5Å; D230-S232 PolarHBondContact OD1-N 3.48Å; D230-S232 PolarHBondContact OD1-OG 3.37Å; D230-S232 PolarHBondContact OD2-OG 3.1Å; D230-V233 HydrophobicContact CB-CB 4.27Å; D230-V233 HydrophobicContact CB-CG2 4.14Å; D230-V233 PolarHBondContact O-N 3.16Å
231	P	93.6	Very high	93.7	Very high	65 Å²	65	53.3 Å²	53.3	42%	0.422	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.4	-179.9	27.4	-32.6	0	0	0	114.9
232	S	93.1	Very high	93.8	Very high	99 Å²	99	55 Å²	55	69%	0.692	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-13.7	-176.5	70.7	0	0	0	0	113.8	D230	D230-S232 PolarHBondContact O-N 3.19Å; D230-S232 WeakPolarHBondContact OD1-CB 3.5Å; D230-S232 PolarHBondContact OD1-N 3.48Å; D230-S232 PolarHBondContact OD1-OG 3.37Å; D230-S232 PolarHBondContact OD2-OG 3.1Å
233	V	91.6	Very high	93.8	Very high	84 Å²	84	53.8 Å²	53.8	51%	0.509	31%	0.309	S	S	.	.			trans	-105.5	105	-175.8	-179.9	0	0	0	0	110.4	H208 D230	H208-V233 PolarHBondContact NE2-O 2.62Å; H208-V233 VanDerWaalsContact NE2-O 3.1Å; D230-V233 HydrophobicContact CB-CB 4.27Å; D230-V233 HydrophobicContact CB-CG2 4.14Å; D230-V233 PolarHBondContact O-N 3.16Å
234	G	90.8	Very high	93.9	Very high	49 Å²	49	52.7 Å²	52.7	51%	0.505	31%	0.306	S	S	.	.			trans	-81.3	159.7	174.7	0	0	0	0	0	114.1	D210	D210-G234 WeakPolarHBondContact OD2-CA 3.46Å
235	L	90.1	Very high	93.9	Very high	65 Å²	65	53 Å²	53	34%	0.34	31%	0.309	S	S	.	.			trans	-94.3	134.6	172.9	-63.6	175.4	0	0	0	110.5	D210 L214 Q227 L228 I238	D210-L235 PolarHBondContact OD2-N 2.99Å; L214-L235 HydrophobicContact CD1-CD1 4.12Å; L214-L235 HydrophobicContact CD2-CD1 3.84Å; L214-L235 HydrophobicContact CG-CD1 4.49Å; Q227-L235 HydrophobicContact CB-CD1 4.48Å; L228-L235 HydrophobicContact CD2-CD1 3.75Å; L228-L235 HydrophobicContact CD2-CG 3.69Å; L228-L235 HydrophobicContact CG-CD1 4.41Å; L235-I238 HydrophobicContact CB-CD1 4.09Å; L235-I238 HydrophobicContact CB-CG1 3.73Å; L235-I238 HydrophobicContact CD1-CD1 4.48Å; L235-I238 HydrophobicContact CD1-CG1 4.21Å
236	S	83.8	Confident	93.9	Very high	133 Å²	133	53 Å²	53	93%	0.93	31%	0.309	S	S	*	.	S	Bend	trans	-83	-27.4	-173.3	54.4	0	0	0	0	115.5
237	D	85.6	Confident	94	Very high	95 Å²	95	48.3 Å²	48.3	51%	0.508	29%	0.292	S	S	.	.			trans	-138.9	82	179.1	175.9	16.4	0	0	0	110.5	S239 K376	D237-S239 PolarHBondContact O-N 3.36Å; D237-S239 WeakPolarHBondContact OD1-CB 3.39Å; D237-S239 PolarHBondContact OD1-OG 3.4Å; D237-S239 PolarHBondContact OD2-OG 2.9Å; D237-K376 IonicContact OD1-NZ 2.64Å; D237-K376 IonicContact OD2-NZ 2.81Å; D237-K376 PolarHBondContact OD2-NZ 2.9Å
238	I	93.3	Very high	94.2	Very high	21 Å²	21	45 Å²	45	11%	0.108	28%	0.277	C	S	.	.			trans	-83.2	107.1	172	-55.6	172.1	0	0	0	108.7	D210 E213 L214 V217 L235	D210-I238 HydrophobicContact CB-CD1 3.66Å; E213-I238 HydrophobicContact CB-CD1 4.21Å; E213-I238 HydrophobicContact CB-CG2 4.42Å; E213-I238 HydrophobicContact CG-CB 4.18Å; E213-I238 HydrophobicContact CG-CD1 4.3Å; E213-I238 HydrophobicContact CG-CG2 3.84Å; L214-I238 HydrophobicContact CB-CD1 4.43Å; L214-I238 HydrophobicContact CB-CG2 4.3Å; L214-I238 HydrophobicContact CD1-CG2 4.21Å; V217-I238 HydrophobicContact CG2-CG2 3.56Å; L235-I238 HydrophobicContact CB-CD1 4.09Å; L235-I238 HydrophobicContact CB-CG1 3.73Å; L235-I238 HydrophobicContact CD1-CD1 4.48Å; L235-I238 HydrophobicContact CD1-CG1 4.21Å
239	S	94.1	Very high	94.3	Very high	16 Å²	16	45.2 Å²	45.2	11%	0.112	28%	0.278	C	S	.	.			trans	-146.7	169.7	-178.2	44.5	0	0	0	0	111.8	D237 T241 K376	D237-S239 PolarHBondContact O-N 3.36Å; D237-S239 WeakPolarHBondContact OD1-CB 3.39Å; D237-S239 PolarHBondContact OD1-OG 3.4Å; D237-S239 PolarHBondContact OD2-OG 2.9Å; S239-T241 PolarHBondContact O-N 3.4Å; S239-K376 WeakPolarHBondContact OG-CD 3.42Å; S239-K376 WeakPolarHBondContact OG-CE 3.34Å; S239-K376 PolarHBondContact OG-NZ 2.63Å
240	I	97.4	Very high	94.4	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.067	28%	0.275	C	S	.	.			trans	-63.1	127.5	179.3	-62.7	172.9	0	0	0	109.2	V217 F246 I327 L370 Y438 P440	V217-I240 HydrophobicContact CG1-CG1 4.17Å; I240-F246 HydrophobicContact CD1-CB 4.45Å; I240-F246 HydrophobicContact CD1-CD1 4.2Å; I240-F246 HydrophobicContact CD1-CD2 4.05Å; I240-F246 HydrophobicContact CD1-CE1 4.49Å; I240-F246 HydrophobicContact CD1-CE2 4.37Å; I240-F246 HydrophobicContact CD1-CG 3.96Å; I240-F246 HydrophobicContact CG1-CB 4.13Å; I240-F246 HydrophobicContact CG1-CD1 4.31Å; I240-F246 HydrophobicContact CG1-CG 4.11Å; I240-F246 HydrophobicContact CG2-CD1 3.59Å; I240-F246 HydrophobicContact CG2-CE1 4.01Å; I240-F246 HydrophobicContact CG2-CG 4.24Å; I240-I327 HydrophobicContact CG2-CD1 3.88Å; I240-L370 HydrophobicContact CD1-CB 4.11Å; I240-L370 HydrophobicContact CD1-CD1 3.97Å; I240-L370 HydrophobicContact CD1-CG 3.85Å; I240-L370 HydrophobicContact CG2-CB 4.43Å; I240-Y438 HydrophobicContact CD1-CD1 4.01Å; I240-Y438 HydrophobicContact CD1-CE1 4.11Å; I240-P440 HydrophobicContact CD1-CG 4.27Å; I240-P440 HydrophobicContact CG1-CG 4.41Å
241	T	96.8	Very high	94.6	Very high	47 Å²	47	41.6 Å²	41.6	29%	0.288	26%	0.261	S	S	.	.			trans	-117.1	151.6	178.4	58.5	0	0	0	0	111.7	S239 S244	S239-T241 PolarHBondContact O-N 3.4Å; T241-S244 PolarHBondContact O-N 3.19Å; T241-S244 VanDerWaalsContact OG1-CB 3.31Å; T241-S244 WeakPolarHBondContact OG1-CB 3.28Å; T241-S244 PolarHBondContact OG1-OG 3.25Å; T241-S244 VanDerWaalsContact OG1-OG 3.07Å
242	L	97.9	Very high	94.8	Very high	38 Å²	38	39.5 Å²	39.5	20%	0.199	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	142.6	176.4	-168.5	61.2	0	0	0	111.6	S244 H282 D284 I325 I327 M371	L242-S244 PolarHBondContact O-N 3.01Å; L242-H282 HydrophobicContact CD1-CB 4.1Å; L242-D284 HydrophobicContact CD2-CB 4.05Å; L242-I325 HydrophobicContact CD1-CG2 3.88Å; L242-I325 HydrophobicContact CD2-CD1 4.14Å; L242-I325 HydrophobicContact CD2-CG1 4.17Å; L242-I325 HydrophobicContact CD2-CG2 3.74Å; L242-I325 HydrophobicContact CG-CG2 4.37Å; L242-I327 HydrophobicContact CD1-CD1 4.29Å; L242-I327 HydrophobicContact CD1-CG1 3.93Å; L242-M371 HydrophobicContact CB-SD 4.33Å
243	F	97.6	Very high	94.9	Very high	54 Å²	54	39.6 Å²	39.6	24%	0.237	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	13.7	-177.9	-56.3	-45.3	0	0	0	117.4	H282 D284 V287 K289	F243-H282 HydrophobicContact CD1-CB 3.6Å; F243-H282 HydrophobicContact CE1-CB 3.87Å; F243-H282 PolarHBondContact N-ND1 3.21Å; F243-H282 VanDerWaalsContact N-ND1 3.11Å; F243-D284 HydrophobicContact CE2-CB 3.85Å; F243-D284 HydrophobicContact CZ-CB 3.56Å; F243-V287 HydrophobicContact CE1-CG1 4.23Å; F243-V287 HydrophobicContact CE2-CG1 4.32Å; F243-V287 HydrophobicContact CZ-CB 4.11Å; F243-V287 HydrophobicContact CZ-CG1 3.73Å; F243-K289 HydrophobicContact CB-CD 4.01Å; F243-K289 HydrophobicContact CD1-CB 3.91Å; F243-K289 HydrophobicContact CD1-CD 3.73Å; F243-K289 HydrophobicContact CD1-CG 3.65Å; F243-K289 HydrophobicContact CE1-CB 4.35Å; F243-K289 HydrophobicContact CE1-CG 4.04Å; F243-K289 HydrophobicContact CG-CD 4.07Å; F243-K289 HydrophobicContact CG-CG 4.45Å
244	S	96.6	Very high	95	Very high	21 Å²	21	36 Å²	36	15%	0.147	22%	0.22	C	C	.	.	S	Bend	trans	-107.5	129.2	170.9	-60.8	0	0	0	0	109.9	K223 T241 L242 F246 H282	K223-S244 PolarHBondContact NZ-OG 2.84Å; T241-S244 PolarHBondContact O-N 3.19Å; T241-S244 VanDerWaalsContact OG1-CB 3.31Å; T241-S244 WeakPolarHBondContact OG1-CB 3.28Å; T241-S244 PolarHBondContact OG1-OG 3.25Å; T241-S244 VanDerWaalsContact OG1-OG 3.07Å; L242-S244 PolarHBondContact O-N 3.01Å; S244-F246 PolarHBondContact O-N 3.17Å; S244-H282 PolarHBondContact O-CE1 3.11Å
245	A	97.8	Very high	94.9	Very high	7 Å²	7	37.4 Å²	37.4	6%	0.058	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-74.2	116.9	-175.4	0	0	0	0	0	111.2	T218 T219 F291	T218-A245 CarbonylContact C-O 3.57Å; T218-A245 WeakPolarHBondContact CA-O 3.45Å; T219-A245 WeakPolarHBondContact CB-O 3.41Å; T219-A245 PolarHBondContact N-O 3.2Å; T219-A245 VanDerWaalsContact N-O 3.14Å; T219-A245 PolarHBondContact OG1-O 2.78Å; A245-F291 HydrophobicContact CB-CB 3.95Å; A245-F291 HydrophobicContact CB-CD1 3.7Å; A245-F291 HydrophobicContact CB-CD2 4.02Å; A245-F291 HydrophobicContact CB-CE1 4.14Å; A245-F291 HydrophobicContact CB-CE2 4.44Å; A245-F291 HydrophobicContact CB-CG 3.63Å; A245-F291 HydrophobicContact CB-CZ 4.48Å
246	F	98.1	Very high	95	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-96.8	149.1	173.9	63.5	-88.3	0	0	0	110.9	N216 I240 S244 P248 Q280 H282 I327 L370 Y438	N216-F246 CarbonylContact O-C 3.58Å; N216-F246 WeakPolarHBondContact O-CA 3.46Å; I240-F246 HydrophobicContact CD1-CB 4.45Å; I240-F246 HydrophobicContact CD1-CD1 4.2Å; I240-F246 HydrophobicContact CD1-CD2 4.05Å; I240-F246 HydrophobicContact CD1-CE1 4.49Å; I240-F246 HydrophobicContact CD1-CE2 4.37Å; I240-F246 HydrophobicContact CD1-CG 3.96Å; I240-F246 HydrophobicContact CG1-CB 4.13Å; I240-F246 HydrophobicContact CG1-CD1 4.31Å; I240-F246 HydrophobicContact CG1-CG 4.11Å; I240-F246 HydrophobicContact CG2-CD1 3.59Å; I240-F246 HydrophobicContact CG2-CE1 4.01Å; I240-F246 HydrophobicContact CG2-CG 4.24Å; S244-F246 PolarHBondContact O-N 3.17Å; F246-P248 WeakPolarHBondContact O-CD 3.34Å; F246-Q280 VanDerWaalsContact CD1-NE2 3.25Å; F246-Q280 HydrophobicContact CE1-CB 4.07Å; F246-Q280 HydrophobicContact CE1-CG 4.22Å; F246-Q280 HydrophobicContact CZ-CB 3.9Å; F246-Q280 HydrophobicContact CZ-CG 4.44Å; F246-Q280 PolarHBondContact O-NE2 2.97Å; F246-H282 AromaticContact CE1-NE2 3.95Å; F246-I327 HydrophobicContact CE1-CG2 3.64Å; F246-I327 HydrophobicContact CZ-CG2 4.28Å; F246-L370 HydrophobicContact CZ-CD2 3.96Å; F246-L370 HydrophobicContact CZ-CG 4.02Å; F246-Y438 HydrophobicContact CD2-CE1 4.06Å; F246-Y438 AromaticContact CE2-CE1 3.89Å; F246-Y438 HydrophobicContact CE2-CE1 3.89Å; F246-Y438 AromaticContact CE2-CZ 3.85Å; F246-Y438 VanDerWaalsContact CE2-OH 3.3Å; F246-Y438 WeakPolarHBondContact CE2-OH 3.33Å
247	K	97.6	Very high	95.3	Very high	24 Å²	24	34.2 Å²	34.2	10%	0.104	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-71.7	121.8	171.9	-69.3	-173.8	-176.4	168.2	0	110.2	H215 N216 P440 D441	H215-K247 WeakPolarHBondContact CE1-CE 3.44Å; N216-K247 PolarHBondContact O-N 3.5Å; N216-K247 PolarHBondContact OD1-NZ 2.79Å; K247-P440 VanDerWaalsContact O-CA 3.28Å; K247-P440 WeakPolarHBondContact O-CA 3.46Å; K247-P440 WeakPolarHBondContact O-CB 3.35Å; K247-D441 HydrophobicContact CB-CB 3.8Å; K247-D441 HydrophobicContact CD-CB 3.63Å; K247-D441 VanDerWaalsContact CD-OD2 3.25Å; K247-D441 WeakPolarHBondContact CD-OD2 3.19Å; K247-D441 HydrophobicContact CG-CB 4.45Å; K247-D441 IonicContact NZ-OD2 3.81Å; K247-D441 PolarHBondContact NZ-OD2 3.04Å; K247-D441 PolarHBondContact O-N 2.64Å
248	P	97.9	Very high	95.7	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.032	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-61.9	150.9	-177.7	-24.5	34.9	0	0	0	113.3	F246 R278 R293 Y438 D441	F246-P248 WeakPolarHBondContact O-CD 3.34Å; P248-R278 HydrophobicContact CB-CG 4.31Å; P248-R278 HydrophobicContact CG-CG 4.16Å; P248-R293 WeakPolarHBondContact CD-O 3.23Å; P248-R293 HydrophobicContact CG-CG 4.49Å; P248-Y438 VanDerWaalsContact CA-OH 3.24Å; P248-Y438 WeakPolarHBondContact CA-OH 3.47Å; P248-D441 PolarHBondContact O-N 2.98Å
249	M	98.2	Very high	95.7	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-66.1	143.9	171.3	-175.1	171.4	178.3	0	0	109.8	Y438 K439 E445 W447	M249-Y438 HydrophobicContact CB-CD2 4.17Å; M249-Y438 HydrophobicContact CB-CE1 4.05Å; M249-Y438 HydrophobicContact CB-CE2 3.67Å; M249-Y438 PolarHBondContact N-OH 3.37Å; M249-Y438 HydrophobicContact SD-CD2 4.24Å; M249-Y438 HydrophobicContact SD-CG 4.46Å; M249-K439 WeakPolarHBondContact CG-O 3.32Å; M249-K439 PolarHBondContact SD-N 3.36Å; M249-K439 VanDerWaalsContact SD-N 3.38Å; M249-E445 HydrophobicContact CE-CB 4.14Å; M249-E445 WeakPolarHBondContact CE-O 3.4Å; M249-W447 HydrophobicContact CB-CE3 4.23Å; M249-W447 HydrophobicContact CB-CH2 4.26Å; M249-W447 HydrophobicContact CB-CZ3 3.99Å; M249-W447 HydrophobicContact CE-CB 4.43Å; M249-W447 HydrophobicContact CE-CD2 4.27Å; M249-W447 HydrophobicContact CE-CG 3.94Å; M249-W447 HydrophobicContact CG-CD2 4.13Å; M249-W447 HydrophobicContact CG-CE3 4.05Å; M249-W447 HydrophobicContact CG-CZ3 4.3Å; M249-W447 HydrophobicContact SD-CD2 4.02Å; M249-W447 HydrophobicContact SD-CE3 4.48Å; M249-W447 HydrophobicContact SD-CG 4.32Å; M249-W447 HydrophobicContact SD-CZ2 4.26Å
250	L	97.8	Very high	95.8	Very high	24 Å²	24	36 Å²	36	13%	0.126	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.6	-171	-55.5	175.6	0	0	0	111.5	K442 R443 G444	L250-K442 WeakPolarHBondContact CA-O 3.18Å; L250-K442 WeakPolarHBondContact CB-O 3.24Å; L250-K442 PolarHBondContact N-O 2.85Å; L250-R443 HydrophobicContact CB-CB 4.13Å; L250-R443 HydrophobicContact CB-CG 4.37Å; L250-R443 WeakPolarHBondContact O-CA 3.41Å; L250-G444 PolarHBondContact O-N 2.78Å; L250-G444 VanDerWaalsContact O-N 3.17Å
251	A	97.6	Very high	95.7	Very high	10 Å²	10	42.1 Å²	42.1	8%	0.083	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	138.4	173.1	0	0	0	0	0	113.1	M430 R443 W447 K449	A251-M430 HydrophobicContact CB-CE 3.59Å; A251-M430 HydrophobicContact CB-SD 4.45Å; A251-R443 WeakPolarHBondContact O-CG 3.28Å; A251-R443 PolarHBondContact O-NH1 3.06Å; A251-W447 VanDerWaalsContact CA-O 3.23Å; A251-W447 WeakPolarHBondContact CA-O 3.45Å; A251-W447 HydrophobicContact CB-CB 4.24Å; A251-K449 HydrophobicContact CB-CB 3.92Å; A251-K449 HydrophobicContact CB-CD 4.32Å; A251-K449 HydrophobicContact CB-CG 3.97Å
252	A	97.2	Very high	95.6	Very high	21 Å²	21	43 Å²	43	17%	0.174	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	156.1	164.6	0	0	0	0	0	110.6	A254 R443 W447 L448 K449	A252-A254 PolarHBondContact O-N 2.9Å; A252-R443 HydrophobicContact CB-CG 4.09Å; A252-W447 PolarHBondContact N-O 3.22Å; A252-L448 HydrophobicContact CB-CD2 3.85Å; A252-L448 CarbonylContact O-C 3.51Å; A252-L448 VanDerWaalsContact O-CA 3.32Å; A252-L448 WeakPolarHBondContact O-CA 3.44Å; A252-K449 WeakPolarHBondContact O-CG 3.4Å; A252-K449 PolarHBondContact O-N 3.17Å
253	I	95.5	Very high	95.5	Very high	102 Å²	102	41.4 Å²	41.4	52%	0.523	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.9	171.3	-63.8	171.7	0	0	0	106.7	Y454	I253-Y454 HydrophobicContact CB-CD2 4.5Å; I253-Y454 HydrophobicContact CB-CE2 4.43Å; I253-Y454 HydrophobicContact CD1-CE1 4.16Å; I253-Y454 HydrophobicContact CD1-CE2 4.23Å; I253-Y454 HydrophobicContact CG1-CD2 4.34Å; I253-Y454 HydrophobicContact CG1-CE2 3.83Å; I253-Y454 HydrophobicContact CG2-CD2 3.57Å; I253-Y454 HydrophobicContact CG2-CE2 3.96Å; I253-Y454 HydrophobicContact CG2-CG 3.93Å
254	A	93.1	Very high	95.4	Very high	8 Å²	8	45.2 Å²	45.2	7%	0.066	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-91.3	146	176.4	0	0	0	0	0	110.9	A252 I259 L448 K449 I450	A252-A254 PolarHBondContact O-N 2.9Å; A254-I259 HydrophobicContact CB-CD1 4.05Å; A254-L448 HydrophobicContact CB-CB 3.73Å; A254-L448 HydrophobicContact CB-CD1 3.87Å; A254-L448 HydrophobicContact CB-CG 4.29Å; A254-K449 PolarHBondContact N-O 3.36Å; A254-K449 VanDerWaalsContact N-O 3.09Å; A254-I450 HydrophobicContact CB-CD1 4.04Å; A254-I450 HydrophobicContact CB-CG1 3.53Å
255	D	90.1	Very high	95.3	Very high	78 Å²	78	51 Å²	51	42%	0.417	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-93	122.2	159.7	-177.3	-1	0	0	0	108.3	E257 H258 I259	D255-E257 PolarHBondContact O-N 3.2Å; D255-E257 PolarHBondContact OD1-N 3.44Å; D255-E257 VanDerWaalsContact OD1-N 3.13Å; D255-H258 PolarHBondContact O-N 2.87Å; D255-H258 VanDerWaalsContact O-N 3.11Å; D255-H258 IonicContact OD2-CE1 3.4Å; D255-H258 PolarHBondContact OD2-CE1 3.15Å; D255-H258 IonicContact OD2-ND1 3.7Å; D255-H258 PolarHBondContact OD2-ND1 3.18Å; D255-I259 PolarHBondContact O-N 3.21Å
256	I	91.2	Very high	95.2	Very high	10 Å²	10	55.4 Å²	55.4	5%	0.051	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-60.9	-32.8	-176.6	-59	178.5	0	0	0	110.5	H258 I259 K411 I415 L418 I450 V455 L615	I256-H258 PolarHBondContact O-N 3.11Å; I256-I259 WeakPolarHBondContact O-CG2 3.3Å; I256-I259 PolarHBondContact O-N 3.23Å; I256-K411 HydrophobicContact CG2-CG 4.1Å; I256-I415 HydrophobicContact CG2-CD1 4.3Å; I256-I415 HydrophobicContact CG2-CG1 3.86Å; I256-L418 HydrophobicContact CD1-CD2 3.65Å; I256-I450 HydrophobicContact CD1-CG2 3.67Å; I256-I450 HydrophobicContact CG1-CD1 4.09Å; I256-I450 HydrophobicContact CG1-CG1 4.41Å; I256-I450 HydrophobicContact CG1-CG2 3.77Å; I256-V455 HydrophobicContact CD1-CG2 3.58Å; I256-L615 HydrophobicContact CD1-CD2 3.63Å
257	E	90.1	Very high	95.2	Very high	121 Å²	121	56.3 Å²	56.3	57%	0.565	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-63.7	-28.2	179.7	-63.7	-56.2	128.5	0	0	112.9	D255 K411	D255-E257 PolarHBondContact O-N 3.2Å; D255-E257 PolarHBondContact OD1-N 3.44Å; D255-E257 VanDerWaalsContact OD1-N 3.13Å; E257-K411 VanDerWaalsContact OE1-CE 3.27Å; E257-K411 WeakPolarHBondContact OE1-CE 3.15Å; E257-K411 IonicContact OE1-NZ 2.61Å; E257-K411 PolarHBondContact OE1-NZ 2.84Å; E257-K411 IonicContact OE2-NZ 2.83Å; E257-K411 PolarHBondContact OE2-NZ 3.45Å
258	H	93.4	Very high	95.2	Very high	96 Å²	96	55.2 Å²	55.2	44%	0.444	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-107.1	8	-175.1	-61.9	101.3	0	0	0	113.1	D255 I256 E260 K261 D262	D255-H258 PolarHBondContact O-N 2.87Å; D255-H258 VanDerWaalsContact O-N 3.11Å; D255-H258 IonicContact OD2-CE1 3.4Å; D255-H258 PolarHBondContact OD2-CE1 3.15Å; D255-H258 IonicContact OD2-ND1 3.7Å; D255-H258 PolarHBondContact OD2-ND1 3.18Å; I256-H258 PolarHBondContact O-N 3.11Å; H258-E260 VanDerWaalsContact C-N 3.34Å; H258-E260 PolarHBondContact O-N 3.27Å; H258-K261 WeakPolarHBondContact O-CB 3.45Å; H258-K261 PolarHBondContact O-N 3.04Å; H258-K261 VanDerWaalsContact O-N 3.1Å; H258-D262 PolarHBondContact O-N 3.24Å
259	I	94.4	Very high	95.3	Very high	1 Å²	1	56 Å²	56	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-61.3	-38.9	-166.9	-164.2	56.6	0	0	0	113.7	A254 D255 I256 D262 M263 K411 V414 I431 L448 I450	A254-I259 HydrophobicContact CB-CD1 4.05Å; D255-I259 PolarHBondContact O-N 3.21Å; I256-I259 WeakPolarHBondContact O-CG2 3.3Å; I256-I259 PolarHBondContact O-N 3.23Å; I259-D262 PolarHBondContact O-N 3.3Å; I259-M263 HydrophobicContact CD1-CG 4.48Å; I259-M263 WeakPolarHBondContact O-CB 3.28Å; I259-M263 VanDerWaalsContact O-CG 3.24Å; I259-M263 WeakPolarHBondContact O-CG 3.29Å; I259-M263 PolarHBondContact O-N 3.12Å; I259-K411 HydrophobicContact CG2-CB 4Å; I259-K411 HydrophobicContact CG2-CG 4.2Å; I259-V414 HydrophobicContact CG1-CG1 4.49Å; I259-V414 HydrophobicContact CG1-CG2 4.18Å; I259-V414 HydrophobicContact CG2-CG2 4.22Å; I259-I431 HydrophobicContact CD1-CB 4.19Å; I259-I431 HydrophobicContact CD1-CG1 4.11Å; I259-I431 HydrophobicContact CD1-CG2 4Å; I259-I431 HydrophobicContact CG1-CG2 4.3Å; I259-L448 HydrophobicContact CD1-CD1 3.71Å; I259-I450 HydrophobicContact CD1-CD1 4.28Å
260	E	95.6	Very high	95.3	Very high	73 Å²	73	56.2 Å²	56.2	34%	0.341	27%	0.274	S	S	.	.	H	α-helix	trans	-65.9	-40.7	178.6	-64.4	179.6	-164.8	0	0	111.4	H258 M263 K264 H265 T410 K411	H258-E260 VanDerWaalsContact C-N 3.34Å; H258-E260 PolarHBondContact O-N 3.27Å; E260-M263 CarbonylContact O-C 3.42Å; E260-M263 PolarHBondContact O-N 3.16Å; E260-K264 PolarHBondContact O-N 3.39Å; E260-H265 PolarHBondContact O-N 3.04Å; E260-T410 WeakPolarHBondContact OE1-CA 3.18Å; E260-K411 HydrophobicContact CG-CB 4.37Å; E260-K411 WeakPolarHBondContact OE1-CB 3.42Å; E260-K411 PolarHBondContact OE1-N 2.86Å
261	K	95.4	Very high	95.3	Very high	141 Å²	141	55.3 Å²	55.3	61%	0.613	27%	0.269	S	S	*	.	H	α-helix	trans	-65.9	-45.5	175.1	-178.5	-177.2	179.6	176.7	0	111.1	H258 M263 K264	H258-K261 WeakPolarHBondContact O-CB 3.45Å; H258-K261 PolarHBondContact O-N 3.04Å; H258-K261 VanDerWaalsContact O-N 3.1Å; K261-M263 PolarHBondContact O-N 2.96Å; K261-K264 WeakPolarHBondContact O-CA 3.24Å; K261-K264 PolarHBondContact O-N 2.89Å
262	D	94.4	Very high	95.2	Very high	65 Å²	65	56.9 Å²	56.9	35%	0.348	28%	0.278	S	S	.	.	H	α-helix	trans	-62.8	-28	177	-72.2	-13.8	0	0	0	111.7	H258 I259 K264 Q433 L448	H258-D262 PolarHBondContact O-N 3.24Å; I259-D262 PolarHBondContact O-N 3.3Å; D262-K264 VanDerWaalsContact C-N 3.27Å; D262-Q433 PolarHBondContact O-NE2 3.43Å; D262-L448 HydrophobicContact CB-CD1 3.75Å
263	M	96.5	Very high	95.2	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.025	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	12.9	171.8	-65.4	-62	117.3	0	0	113.7	I259 E260 K261 H265 Q266 F268 I431 Q433 L448	I259-M263 HydrophobicContact CD1-CG 4.48Å; I259-M263 WeakPolarHBondContact O-CB 3.28Å; I259-M263 VanDerWaalsContact O-CG 3.24Å; I259-M263 WeakPolarHBondContact O-CG 3.29Å; I259-M263 PolarHBondContact O-N 3.12Å; E260-M263 CarbonylContact O-C 3.42Å; E260-M263 PolarHBondContact O-N 3.16Å; K261-M263 PolarHBondContact O-N 2.96Å; M263-H265 PolarHBondContact O-N 3.03Å; M263-Q266 PolarHBondContact O-N 2.96Å; M263-F268 HydrophobicContact CB-CB 4.1Å; M263-F268 HydrophobicContact CB-CD1 3.44Å; M263-F268 VanDerWaalsContact CB-CD1 3.44Å; M263-F268 HydrophobicContact CB-CE1 4.15Å; M263-F268 HydrophobicContact CB-CG 4.03Å; M263-F268 HydrophobicContact CG-CB 3.7Å; M263-F268 HydrophobicContact CG-CD1 3.47Å; M263-F268 VanDerWaalsContact CG-CD1 3.47Å; M263-F268 HydrophobicContact CG-CD2 4.41Å; M263-F268 HydrophobicContact CG-CE1 4.17Å; M263-F268 HydrophobicContact CG-CG 3.6Å; M263-F268 HydrophobicContact SD-CB 3.6Å; M263-F268 VanDerWaalsContact SD-CB 3.6Å; M263-F268 HydrophobicContact SD-CG 4.14Å; M263-I431 HydrophobicContact CE-CG2 4.04Å; M263-I431 HydrophobicContact CG-CG2 3.95Å; M263-I431 HydrophobicContact SD-CG2 3.75Å; M263-Q433 HydrophobicContact CE-CG 3.88Å; M263-Q433 HydrophobicContact SD-CB 4.42Å; M263-Q433 HydrophobicContact SD-CG 3.46Å; M263-Q433 WeakPolarHBondContact SD-CG 3.37Å; M263-L448 HydrophobicContact CE-CD1 3.29Å; M263-L448 HydrophobicContact CE-CG 3.75Å
264	K	95.2	Very high	95	Very high	135 Å²	135	54 Å²	54	59%	0.587	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	31.6	176.4	-52.4	-178.8	-179.3	-179	0	113.7	E260 K261 D262 Q266	E260-K264 PolarHBondContact O-N 3.39Å; K261-K264 WeakPolarHBondContact O-CA 3.24Å; K261-K264 PolarHBondContact O-N 2.89Å; D262-K264 VanDerWaalsContact C-N 3.27Å; K264-Q266 PolarHBondContact O-N 3.01Å; K264-Q266 VanDerWaalsContact O-N 3.14Å
265	H	94.9	Very high	94.8	Very high	143 Å²	143	54.7 Å²	54.7	66%	0.662	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	30.9	-177.7	-55	-72.8	0	0	0	113.4	E260 M263	E260-H265 PolarHBondContact O-N 3.04Å; M263-H265 PolarHBondContact O-N 3.03Å
266	Q	95.9	Very high	94.9	Very high	98 Å²	98	51.3 Å²	51.3	46%	0.458	25%	0.245	S	C	.	.	S	Bend	trans	-116.8	169.9	176.6	-69.8	177.1	5.9	0	0	110.3	M263 K264 F268	M263-Q266 PolarHBondContact O-N 2.96Å; K264-Q266 PolarHBondContact O-N 3.01Å; K264-Q266 VanDerWaalsContact O-N 3.14Å; Q266-F268 WeakPolarHBondContact O-CD1 3.18Å
267	S	96.9	Very high	94.9	Very high	20 Å²	20	52 Å²	52	14%	0.14	25%	0.248	C	C	.	.			trans	-55.5	142.3	170.2	64.5	0	0	0	0	111.4	H409 P434	S267-H409 WeakPolarHBondContact CB-CE1 3.5Å; S267-P434 WeakPolarHBondContact O-CD 3.44Å; S267-P434 VanDerWaalsContact O-CG 3.27Å; S267-P434 WeakPolarHBondContact O-CG 3.23Å
268	F	98.4	Very high	95.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	163.9	174	51.1	-94.8	0	0	0	112.5	M263 Q266 I270 Q407 A408 V414 I431	M263-F268 HydrophobicContact CB-CB 4.1Å; M263-F268 HydrophobicContact CB-CD1 3.44Å; M263-F268 VanDerWaalsContact CB-CD1 3.44Å; M263-F268 HydrophobicContact CB-CE1 4.15Å; M263-F268 HydrophobicContact CB-CG 4.03Å; M263-F268 HydrophobicContact CG-CB 3.7Å; M263-F268 HydrophobicContact CG-CD1 3.47Å; M263-F268 VanDerWaalsContact CG-CD1 3.47Å; M263-F268 HydrophobicContact CG-CD2 4.41Å; M263-F268 HydrophobicContact CG-CE1 4.17Å; M263-F268 HydrophobicContact CG-CG 3.6Å; M263-F268 HydrophobicContact SD-CB 3.6Å; M263-F268 VanDerWaalsContact SD-CB 3.6Å; M263-F268 HydrophobicContact SD-CG 4.14Å; Q266-F268 WeakPolarHBondContact O-CD1 3.18Å; F268-I270 HydrophobicContact CD2-CG1 4.13Å; F268-I270 HydrophobicContact CE2-CD1 4.15Å; F268-I270 HydrophobicContact CE2-CG1 4.05Å; F268-Q407 WeakPolarHBondContact O-CA 3.23Å; F268-A408 HydrophobicContact CD2-CB 4.09Å; F268-A408 HydrophobicContact CE2-CB 3.58Å; F268-A408 HydrophobicContact CZ-CB 4.13Å; F268-A408 PolarHBondContact N-O 3.36Å; F268-A408 PolarHBondContact O-N 2.86Å; F268-V414 HydrophobicContact CE2-CG2 3.47Å; F268-V414 VanDerWaalsContact CE2-CG2 3.47Å; F268-V414 HydrophobicContact CZ-CG2 3.7Å; F268-I431 HydrophobicContact CB-CG2 4.25Å; F268-I431 HydrophobicContact CD2-CG2 3.59Å; F268-I431 HydrophobicContact CE2-CG2 4.17Å; F268-I431 HydrophobicContact CG-CG2 4.05Å
269	Y	98.6	Very high	95.4	Very high	21 Å²	21	43.8 Å²	43.8	8%	0.082	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.4	173.9	-64.5	-51.8	0	0	0	110.7	L382 Y386 K405 T406 Q407 I431 K432 P434	Y269-L382 HydrophobicContact CD2-CD2 4.15Å; Y269-Y386 HydrophobicContact CD2-CD2 4.12Å; Y269-Y386 HydrophobicContact CD2-CE2 4.03Å; Y269-Y386 AromaticContact CE2-CD2 3.98Å; Y269-Y386 HydrophobicContact CE2-CD2 3.98Å; Y269-Y386 HydrophobicContact CE2-CE2 4.37Å; Y269-K405 HydrophobicContact CD1-CD 4.42Å; Y269-T406 CarbonylContact C-O 3.58Å; Y269-T406 WeakPolarHBondContact CA-O 3.45Å; Y269-Q407 HydrophobicContact CD1-CB 4.47Å; Y269-Q407 HydrophobicContact CE1-CB 4.42Å; Y269-I431 CarbonylContact O-C 3.54Å; Y269-I431 WeakPolarHBondContact O-CA 3.46Å; Y269-K432 PolarHBondContact N-O 3.23Å; Y269-K432 PolarHBondContact O-N 2.76Å; Y269-P434 HydrophobicContact CD2-CB 4.15Å; Y269-P434 HydrophobicContact CD2-CG 3.88Å; Y269-P434 HydrophobicContact CE2-CB 3.59Å; Y269-P434 HydrophobicContact CE2-CG 3.72Å; Y269-P434 HydrophobicContact CG-CG 4.41Å
270	I	98.6	Very high	95.6	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.041	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.3	167.1	-50.3	-175	0	0	0	107.9	F268 K405 T406 A408 V414 A417 I429 M430 I431	F268-I270 HydrophobicContact CD2-CG1 4.13Å; F268-I270 HydrophobicContact CE2-CD1 4.15Å; F268-I270 HydrophobicContact CE2-CG1 4.05Å; I270-K405 WeakPolarHBondContact O-CA 3.44Å; I270-T406 PolarHBondContact N-O 2.95Å; I270-T406 PolarHBondContact O-N 3.36Å; I270-T406 PolarHBondContact O-OG1 2.78Å; I270-A408 HydrophobicContact CD1-CB 3.53Å; I270-A408 HydrophobicContact CG1-CB 3.86Å; I270-V414 HydrophobicContact CD1-CG2 3.93Å; I270-A417 HydrophobicContact CD1-CB 4.09Å; I270-A417 HydrophobicContact CG2-CB 3.85Å; I270-I429 HydrophobicContact CG2-CB 4.22Å; I270-I429 HydrophobicContact CG2-CD1 4.41Å; I270-I429 HydrophobicContact CG2-CG2 4.42Å; I270-M430 WeakPolarHBondContact CA-O 3.49Å; I270-I431 HydrophobicContact CB-CD1 4.24Å; I270-I431 HydrophobicContact CD1-CD1 4.24Å; I270-I431 HydrophobicContact CG1-CD1 3.74Å; I270-I431 HydrophobicContact CG2-CD1 3.99Å
271	E	98	Very high	95.8	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.023	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.9	175	-71	161.8	-120.1	0	0	109.9	K273 Y386 V403 K405 I429 M430 K432	E271-K273 PolarHBondContact O-N 3.34Å; E271-Y386 PolarHBondContact OE1-OH 2.88Å; E271-Y386 PolarHBondContact OE2-OH 3.34Å; E271-V403 HydrophobicContact CB-CG1 4.09Å; E271-V403 HydrophobicContact CG-CG1 4.24Å; E271-K405 HydrophobicContact CG-CB 3.75Å; E271-I429 CarbonylContact O-C 3.39Å; E271-I429 WeakPolarHBondContact O-CA 3.34Å; E271-M430 HydrophobicContact CB-CB 4.25Å; E271-M430 PolarHBondContact N-O 3.43Å; E271-M430 PolarHBondContact O-N 2.75Å; E271-K432 WeakPolarHBondContact OE1-CD 3.47Å; E271-K432 WeakPolarHBondContact OE1-CE 3.45Å; E271-K432 IonicContact OE1-NZ 2.69Å; E271-K432 PolarHBondContact OE1-NZ 3.46Å; E271-K432 IonicContact OE2-NZ 3.75Å; E271-K432 PolarHBondContact OE2-NZ 3.12Å
272	T	95.5	Very high	95.9	Very high	44 Å²	44	33.6 Å²	33.6	27%	0.27	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	132.9	169.7	-69	0	0	0	0	110.5	L274 E426	T272-L274 HydrophobicContact CG2-CD2 3.96Å; T272-L274 HydrophobicContact CG2-CG 4.48Å; T272-L274 PolarHBondContact O-N 2.91Å; T272-E426 HydrophobicContact CG2-CB 4.36Å; T272-E426 VanDerWaalsContact CG2-CD 3.43Å; T272-E426 HydrophobicContact CG2-CG 4.14Å; T272-E426 WeakPolarHBondContact CG2-OE2 3.26Å; T272-E426 PolarHBondContact OG1-OE2 3.23Å
273	K	96.5	Very high	96.1	Very high	35 Å²	35	30.9 Å²	30.9	15%	0.152	15%	0.148	C	C	.	.			trans	-82.2	100.7	168.9	-168.2	-172.9	-178	-58.4	0	109.6	E271 E427 G428 M430	E271-K273 PolarHBondContact O-N 3.34Å; K273-E427 HydrophobicContact CD-CB 4.46Å; K273-E427 HydrophobicContact CD-CG 4.43Å; K273-E427 WeakPolarHBondContact CE-OE1 3.39Å; K273-E427 IonicContact NZ-OE1 3.87Å; K273-E427 PolarHBondContact NZ-OE1 3.06Å; K273-E427 IonicContact NZ-OE2 2.75Å; K273-E427 PolarHBondContact NZ-OE2 2.88Å; K273-E427 WeakPolarHBondContact O-CB 2.94Å; K273-G428 VanDerWaalsContact CB-C 3.49Å; K273-G428 WeakPolarHBondContact CB-O 3.34Å; K273-G428 PolarHBondContact N-O 2.88Å; K273-M430 HydrophobicContact CB-CG 3.92Å; K273-M430 HydrophobicContact CB-SD 4.24Å; K273-M430 HydrophobicContact CD-SD 4.1Å; K273-M430 HydrophobicContact CG-CG 4.04Å; K273-M430 HydrophobicContact CG-SD 3.8Å
274	L	92.9	Very high	96.2	Very high	28 Å²	28	33.1 Å²	33.1	15%	0.147	16%	0.16	C	C	.	.			trans	-69.9	137.5	176.8	-61.6	173.6	0	0	0	112.2	T272 G276 E331 M333 C365 V403	T272-L274 HydrophobicContact CG2-CD2 3.96Å; T272-L274 HydrophobicContact CG2-CG 4.48Å; T272-L274 PolarHBondContact O-N 2.91Å; L274-G276 PolarHBondContact O-N 2.82Å; L274-E331 HydrophobicContact CB-CB 4.18Å; L274-E331 HydrophobicContact CB-CG 4.14Å; L274-E331 HydrophobicContact CD1-CB 4.19Å; L274-M333 HydrophobicContact CB-CE 4.28Å; L274-M333 HydrophobicContact CB-SD 3.84Å; L274-M333 HydrophobicContact CD1-CG 4.5Å; L274-M333 HydrophobicContact CD2-CE 4.35Å; L274-C365 HydrophobicContact CD1-CB 3.31Å; L274-V403 HydrophobicContact CD1-CG2 3.74Å
275	D	89.3	Confident	96.3	Very high	21 Å²	21	27.2 Å²	27.2	11%	0.112	14%	0.137	C	C	.	.			trans	-100	61.9	178.6	-175.6	24.9	0	0	0	111.4	E427 R577	D275-E427 WeakPolarHBondContact CA-OE2 3.49Å; D275-E427 HydrophobicContact CB-CB 4.19Å; D275-E427 HydrophobicContact CB-CG 4.41Å; D275-R577 IonicContact OD1-CZ 3.93Å; D275-R577 IonicContact OD1-NH1 3.79Å; D275-R577 IonicContact OD1-NH2 3.75Å; D275-R577 PolarHBondContact OD1-NH2 3.19Å; D275-R577 IonicContact OD2-CZ 3.69Å; D275-R577 IonicContact OD2-NH1 3.5Å; D275-R577 PolarHBondContact OD2-NH1 3.05Å; D275-R577 IonicContact OD2-NH2 3.34Å; D275-R577 PolarHBondContact OD2-NH2 3.33Å; D275-R577 VanDerWaalsContact OD2-NH2 3.14Å
276	G	90.8	Very high	96.5	Very high	8 Å²	8	25 Å²	25	8%	0.082	13%	0.13	C	C	.	.	S	Bend	trans	-116.6	-142.4	-179.2	0	0	0	0	0	112.9	L274 E331 M332 M333	L274-G276 PolarHBondContact O-N 2.82Å; G276-E331 VanDerWaalsContact C-OE1 3.29Å; G276-M332 CarbonylContact C-O 3.54Å; G276-M332 VanDerWaalsContact CA-O 3.28Å; G276-M332 WeakPolarHBondContact CA-O 3.27Å; G276-M333 WeakPolarHBondContact CA-SD 3.34Å
277	E	91.5	Very high	96.6	Very high	24 Å²	24	23.9 Å²	23.9	11%	0.112	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	113.5	172	-59.2	-149.5	159.2	0	0	112.7	M279 E331 M332 K345 K352	E277-M279 PolarHBondContact O-N 3.07Å; E277-E331 PolarHBondContact N-OE1 3.18Å; E277-M332 PolarHBondContact N-O 2.83Å; E277-M332 WeakPolarHBondContact O-CB 3.14Å; E277-M332 PolarHBondContact O-N 2.79Å; E277-K345 WeakPolarHBondContact OE1-CE 3.43Å; E277-K345 IonicContact OE1-NZ 3.88Å; E277-K345 PolarHBondContact OE1-NZ 3.4Å; E277-K352 WeakPolarHBondContact OE2-CD 3.49Å; E277-K352 WeakPolarHBondContact OE2-CE 3.24Å; E277-K352 WeakPolarHBondContact OE2-CG 3.42Å; E277-K352 IonicContact OE2-NZ 3.82Å; E277-K352 PolarHBondContact OE2-NZ 2.67Å
278	R	97.1	Very high	96.7	Very high	44 Å²	44	23 Å²	23	17%	0.166	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.7	121.9	173.5	-167.8	67.3	166.4	-137.9	1	113	P248 R293 D329 G330 E331 F367	P248-R278 HydrophobicContact CB-CG 4.31Å; P248-R278 HydrophobicContact CG-CG 4.16Å; R278-R293 HydrophobicContact CB-CB 4.18Å; R278-R293 HydrophobicContact CG-CB 4.41Å; R278-R293 PolarHBondContact O-N 3.21Å; R278-D329 IonicContact CZ-OD1 3.86Å; R278-D329 IonicContact CZ-OD2 2.89Å; R278-D329 IonicContact NE-OD1 3.2Å; R278-D329 PolarHBondContact NE-OD1 3.38Å; R278-D329 IonicContact NE-OD2 2.94Å; R278-D329 PolarHBondContact NE-OD2 3.48Å; R278-D329 IonicContact NH2-OD1 2.76Å; R278-D329 PolarHBondContact NH2-OD1 2.87Å; R278-D329 IonicContact NH2-OD2 3.25Å; R278-D329 PolarHBondContact NH2-OD2 2.96Å; R278-G330 WeakPolarHBondContact CD-O 3.25Å; R278-E331 VanDerWaalsContact CA-OE2 3.25Å; R278-E331 WeakPolarHBondContact CA-OE2 3.44Å; R278-E331 WeakPolarHBondContact CB-OE2 3.34Å; R278-E331 WeakPolarHBondContact CD-OE2 3.23Å; R278-E331 PolarHBondContact N-OE1 3.4Å; R278-E331 PolarHBondContact N-OE2 2.98Å; R278-F367 VanDerWaalsContact NE-CZ 3.28Å
279	M	97.9	Very high	96.7	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	135.2	-177.9	-158.4	64.1	53.5	0	0	110.2	E277 Y290 S292 Y298 F302 G330 M332 Y364	E277-M279 PolarHBondContact O-N 3.07Å; M279-Y290 HydrophobicContact CG-CD1 4.21Å; M279-S292 PolarHBondContact SD-N 3.29Å; M279-Y298 HydrophobicContact CE-CD2 4.49Å; M279-F302 HydrophobicContact CE-CE2 3.59Å; M279-F302 HydrophobicContact CE-CZ 4.07Å; M279-F302 HydrophobicContact CG-CE2 4.28Å; M279-F302 HydrophobicContact SD-CD2 4.48Å; M279-F302 HydrophobicContact SD-CE2 3.92Å; M279-G330 PolarHBondContact N-O 3.37Å; M279-G330 PolarHBondContact O-N 3.18Å; M279-G330 VanDerWaalsContact O-N 3.09Å; M279-M332 HydrophobicContact CB-CB 4.43Å; M279-M332 HydrophobicContact CB-CE 4.01Å; M279-M332 HydrophobicContact CG-CE 3.83Å; M279-Y364 HydrophobicContact CB-CE2 4.09Å; M279-Y364 WeakPolarHBondContact O-CE2 3.41Å; M279-Y364 PolarHBondContact O-OH 3.23Å
280	Q	98.3	Very high	96.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.2	166.2	68.8	-163.2	-164.9	0	0	109.8	F246 Y290 F291 L328	F246-Q280 VanDerWaalsContact CD1-NE2 3.25Å; F246-Q280 HydrophobicContact CE1-CB 4.07Å; F246-Q280 HydrophobicContact CE1-CG 4.22Å; F246-Q280 HydrophobicContact CZ-CB 3.9Å; F246-Q280 HydrophobicContact CZ-CG 4.44Å; F246-Q280 PolarHBondContact O-NE2 2.97Å; Q280-Y290 WeakPolarHBondContact O-CA 2.98Å; Q280-F291 HydrophobicContact CG-CB 3.72Å; Q280-F291 HydrophobicContact CG-CD2 4.12Å; Q280-F291 HydrophobicContact CG-CG 4.44Å; Q280-F291 WeakPolarHBondContact CG-O 3.39Å; Q280-F291 PolarHBondContact N-O 3.31Å; Q280-F291 PolarHBondContact O-N 2.85Å; Q280-L328 CarbonylContact C-O 3.59Å; Q280-L328 VanDerWaalsContact CA-O 3.23Å; Q280-L328 WeakPolarHBondContact CA-O 3.37Å; Q280-L328 WeakPolarHBondContact CB-O 3.48Å
281	M	98.8	Very high	96.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.3	178.1	-176.3	-165	84.9	0	0	109.3	K283 Y288 Y290 I315 F319 I327 L328 Y364	M281-K283 HydrophobicContact CE-CB 4.21Å; M281-Y288 HydrophobicContact CE-CE1 4.28Å; M281-Y288 HydrophobicContact CG-CD1 4.2Å; M281-Y288 HydrophobicContact SD-CD1 4Å; M281-Y288 HydrophobicContact SD-CE1 4.08Å; M281-Y290 HydrophobicContact CB-CD1 4.03Å; M281-Y290 HydrophobicContact CB-CE1 3.8Å; M281-Y290 HydrophobicContact CG-CD1 4Å; M281-Y290 HydrophobicContact CG-CE1 3.4Å; M281-Y290 VanDerWaalsContact CG-CE1 3.4Å; M281-Y290 HydrophobicContact SD-CE1 3.97Å; M281-I315 HydrophobicContact SD-CD1 3.76Å; M281-F319 HydrophobicContact CE-CE1 3.94Å; M281-F319 HydrophobicContact CE-CE2 4.21Å; M281-F319 HydrophobicContact CE-CZ 3.34Å; M281-F319 HydrophobicContact SD-CZ 4.2Å; M281-I327 CarbonylContact O-C 3.04Å; M281-I327 WeakPolarHBondContact O-CA 3.46Å; M281-L328 HydrophobicContact CB-CB 4.43Å; M281-L328 HydrophobicContact CE-CD1 3.64Å; M281-L328 HydrophobicContact CE-CG 3.95Å; M281-L328 PolarHBondContact N-O 3.23Å; M281-L328 PolarHBondContact O-N 2.82Å; M281-Y364 HydrophobicContact CB-CE1 3.83Å; M281-Y364 HydrophobicContact SD-CE1 4.41Å
282	H	98.8	Very high	96.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.2	173.9	-64.1	-117.3	0	0	0	107.9	L242 F243 S244 F246 Y288 K289 F291	L242-H282 HydrophobicContact CD1-CB 4.1Å; F243-H282 HydrophobicContact CD1-CB 3.6Å; F243-H282 HydrophobicContact CE1-CB 3.87Å; F243-H282 PolarHBondContact N-ND1 3.21Å; F243-H282 VanDerWaalsContact N-ND1 3.11Å; S244-H282 PolarHBondContact O-CE1 3.11Å; F246-H282 AromaticContact CE1-NE2 3.95Å; H282-Y288 CarbonylContact O-C 3.59Å; H282-Y288 VanDerWaalsContact O-CA 3.29Å; H282-Y288 WeakPolarHBondContact O-CA 3.3Å; H282-K289 HydrophobicContact CB-CB 4.4Å; H282-K289 PolarHBondContact N-O 3.14Å; H282-K289 PolarHBondContact O-N 3.32Å; H282-F291 AromaticContact CD2-CD2 3.61Å; H282-F291 AromaticContact CD2-CE2 3.76Å; H282-F291 AromaticContact NE2-CD2 3.66Å; H282-F291 AromaticContact NE2-CE2 3.93Å
283	K	98.6	Very high	96.6	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.035	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.3	-179.8	178.5	-168.3	-179.2	-46.6	0	110	M281 G285 V287 Y288 F319 I323 Q324 I325 C326	M281-K283 HydrophobicContact CE-CB 4.21Å; K283-G285 WeakPolarHBondContact CE-O 3.5Å; K283-G285 PolarHBondContact NZ-O 2.99Å; K283-V287 CarbonylContact C-O 3.55Å; K283-V287 WeakPolarHBondContact CA-O 3.32Å; K283-Y288 HydrophobicContact CB-CD1 4.13Å; K283-Y288 HydrophobicContact CB-CE1 3.93Å; K283-Y288 HydrophobicContact CD-CE1 3.93Å; K283-Y288 WeakPolarHBondContact CE-OH 3.22Å; K283-Y288 HydrophobicContact CG-CD1 4.25Å; K283-Y288 HydrophobicContact CG-CE1 3.69Å; K283-Y288 HydrophobicContact CG-CE2 4.21Å; K283-F319 HydrophobicContact CD-CD1 4.18Å; K283-F319 HydrophobicContact CD-CD2 4.19Å; K283-F319 HydrophobicContact CD-CE1 4.32Å; K283-F319 HydrophobicContact CD-CE2 4.34Å; K283-F319 HydrophobicContact CD-CG 4.14Å; K283-F319 HydrophobicContact CD-CZ 4.43Å; K283-I323 PolarHBondContact NZ-O 3.38Å; K283-Q324 PolarHBondContact NZ-O 2.99Å; K283-I325 VanDerWaalsContact O-CA 3.3Å; K283-I325 WeakPolarHBondContact O-CA 3.38Å; K283-C326 PolarHBondContact N-O 2.78Å; K283-C326 PolarHBondContact O-N 2.69Å; K283-C326 VanDerWaalsContact O-N 3.07Å
284	D	98.4	Very high	96.5	Very high	52 Å²	52	32.8 Å²	32.8	28%	0.278	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	102.2	161.4	-168.7	-7.5	0	0	0	109.1	L242 F243 D286 V287 Q324 I325	L242-D284 HydrophobicContact CD2-CB 4.05Å; F243-D284 HydrophobicContact CE2-CB 3.85Å; F243-D284 HydrophobicContact CZ-CB 3.56Å; D284-D286 PolarHBondContact O-N 3.31Å; D284-D286 VanDerWaalsContact O-N 3.07Å; D284-V287 PolarHBondContact N-O 3.49Å; D284-V287 WeakPolarHBondContact O-CB 3.47Å; D284-V287 PolarHBondContact O-N 3.05Å; D284-Q324 WeakPolarHBondContact CA-O 3.39Å; D284-Q324 PolarHBondContact OD1-NE2 3.36Å; D284-I325 HydrophobicContact CB-CG1 4.32Å
285	G	97.4	Very high	96.5	Very high	10 Å²	10	31.9 Å²	31.9	10%	0.103	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-116.8	-174.6	0	0	0	0	0	110.6	K283 Q324	K283-G285 WeakPolarHBondContact CE-O 3.5Å; K283-G285 PolarHBondContact NZ-O 2.99Å; G285-Q324 PolarHBondContact N-O 3.05Å
286	D	98.1	Very high	96.7	Very high	98 Å²	98	35.4 Å²	35.4	52%	0.524	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.6	179.4	-63.5	-9	0	0	0	113.1	D284 Y288 S305 P306 H316	D284-D286 PolarHBondContact O-N 3.31Å; D284-D286 VanDerWaalsContact O-N 3.07Å; D286-Y288 WeakPolarHBondContact O-CD2 3.35Å; D286-S305 WeakPolarHBondContact O-CA 3.39Å; D286-P306 HydrophobicContact CB-CG 4.14Å; D286-P306 WeakPolarHBondContact O-CD 3.19Å; D286-H316 IonicContact OD1-CE1 2.79Å; D286-H316 PolarHBondContact OD1-CE1 2.92Å; D286-H316 IonicContact OD1-NE2 2.77Å
287	V	98.5	Very high	96.9	Very high	74 Å²	74	39.1 Å²	39.1	45%	0.448	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122	-178.4	-177.3	0	0	0	0	110.4	F243 K283 D284	F243-V287 HydrophobicContact CE1-CG1 4.23Å; F243-V287 HydrophobicContact CE2-CG1 4.32Å; F243-V287 HydrophobicContact CZ-CB 4.11Å; F243-V287 HydrophobicContact CZ-CG1 3.73Å; K283-V287 CarbonylContact C-O 3.55Å; K283-V287 WeakPolarHBondContact CA-O 3.32Å; D284-V287 PolarHBondContact N-O 3.49Å; D284-V287 WeakPolarHBondContact O-CB 3.47Å; D284-V287 PolarHBondContact O-N 3.05Å
288	Y	98.8	Very high	97	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.4	178.8	-68.9	-104.5	0	0	0	111.3	M281 H282 K283 D286 T299 A304 T312 H316 F319	M281-Y288 HydrophobicContact CE-CE1 4.28Å; M281-Y288 HydrophobicContact CG-CD1 4.2Å; M281-Y288 HydrophobicContact SD-CD1 4Å; M281-Y288 HydrophobicContact SD-CE1 4.08Å; H282-Y288 CarbonylContact O-C 3.59Å; H282-Y288 VanDerWaalsContact O-CA 3.29Å; H282-Y288 WeakPolarHBondContact O-CA 3.3Å; K283-Y288 HydrophobicContact CB-CD1 4.13Å; K283-Y288 HydrophobicContact CB-CE1 3.93Å; K283-Y288 HydrophobicContact CD-CE1 3.93Å; K283-Y288 WeakPolarHBondContact CE-OH 3.22Å; K283-Y288 HydrophobicContact CG-CD1 4.25Å; K283-Y288 HydrophobicContact CG-CE1 3.69Å; K283-Y288 HydrophobicContact CG-CE2 4.21Å; D286-Y288 WeakPolarHBondContact O-CD2 3.35Å; Y288-T299 VanDerWaalsContact O-CG2 3.22Å; Y288-T299 WeakPolarHBondContact O-CG2 3.47Å; Y288-A304 PolarHBondContact N-O 2.8Å; Y288-T312 HydrophobicContact CD1-CG2 3.99Å; Y288-T312 HydrophobicContact CD2-CG2 3.41Å; Y288-T312 VanDerWaalsContact CD2-CG2 3.41Å; Y288-T312 HydrophobicContact CE1-CG2 4.19Å; Y288-T312 HydrophobicContact CE2-CG2 3.66Å; Y288-T312 HydrophobicContact CG-CG2 3.59Å; Y288-H316 AromaticContact CE2-ND1 3.74Å; Y288-H316 AromaticContact CZ-ND1 3.78Å; Y288-H316 PolarHBondContact OH-ND1 3.27Å; Y288-F319 HydrophobicContact CE1-CE2 4.26Å
289	K	98.6	Very high	97	Very high	74 Å²	74	39.4 Å²	39.4	32%	0.322	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.5	165.2	-63.4	-166.4	-177.3	-170	0	111.5	F243 H282 F291 T299	F243-K289 HydrophobicContact CB-CD 4.01Å; F243-K289 HydrophobicContact CD1-CB 3.91Å; F243-K289 HydrophobicContact CD1-CD 3.73Å; F243-K289 HydrophobicContact CD1-CG 3.65Å; F243-K289 HydrophobicContact CE1-CB 4.35Å; F243-K289 HydrophobicContact CE1-CG 4.04Å; F243-K289 HydrophobicContact CG-CD 4.07Å; F243-K289 HydrophobicContact CG-CG 4.45Å; H282-K289 HydrophobicContact CB-CB 4.4Å; H282-K289 PolarHBondContact N-O 3.14Å; H282-K289 PolarHBondContact O-N 3.32Å; K289-F291 HydrophobicContact CB-CE2 3.86Å; K289-F291 HydrophobicContact CB-CZ 4Å; K289-F291 HydrophobicContact CD-CE2 4.49Å; K289-F291 HydrophobicContact CD-CZ 3.96Å; K289-T299 WeakPolarHBondContact CA-OG1 3.32Å
290	Y	98.4	Very high	96.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126	-179.8	-63.8	-94.5	0	0	0	110.5	M279 Q280 M281 N297 Y298 T299 F302 G303 L311 T312 M332	M279-Y290 HydrophobicContact CG-CD1 4.21Å; Q280-Y290 WeakPolarHBondContact O-CA 2.98Å; M281-Y290 HydrophobicContact CB-CD1 4.03Å; M281-Y290 HydrophobicContact CB-CE1 3.8Å; M281-Y290 HydrophobicContact CG-CD1 4Å; M281-Y290 HydrophobicContact CG-CE1 3.4Å; M281-Y290 VanDerWaalsContact CG-CE1 3.4Å; M281-Y290 HydrophobicContact SD-CE1 3.97Å; Y290-N297 WeakPolarHBondContact O-CA 3.4Å; Y290-N297 PolarHBondContact O-OD1 2.87Å; Y290-Y298 PolarHBondContact O-N 3.32Å; Y290-T299 PolarHBondContact N-OG1 2.75Å; Y290-F302 HydrophobicContact CD1-CB 4.03Å; Y290-F302 HydrophobicContact CD1-CD2 4.1Å; Y290-F302 HydrophobicContact CD1-CG 4.29Å; Y290-F302 HydrophobicContact CD2-CB 3.61Å; Y290-F302 HydrophobicContact CD2-CD2 4.49Å; Y290-F302 HydrophobicContact CE1-CB 4.14Å; Y290-F302 HydrophobicContact CE2-CB 3.75Å; Y290-F302 HydrophobicContact CG-CB 3.76Å; Y290-F302 AromaticContact CG-CD2 3.87Å; Y290-F302 HydrophobicContact CG-CD2 3.87Å; Y290-F302 HydrophobicContact CG-CG 4.2Å; Y290-G303 VanDerWaalsContact CE2-O 3.27Å; Y290-G303 WeakPolarHBondContact CE2-O 2.94Å; Y290-L311 HydrophobicContact CE1-CD2 3.89Å; Y290-T312 WeakPolarHBondContact CE2-OG1 3.24Å; Y290-T312 PolarHBondContact OH-OG1 2.86Å; Y290-M332 HydrophobicContact CD1-CE 4.44Å
291	F	98.1	Very high	96.4	Very high	17 Å²	17	49.1 Å²	49.1	8%	0.075	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.9	176.7	-52.6	-81.5	0	0	0	111.2	A245 Q280 H282 K289 Y296 N297	A245-F291 HydrophobicContact CB-CB 3.95Å; A245-F291 HydrophobicContact CB-CD1 3.7Å; A245-F291 HydrophobicContact CB-CD2 4.02Å; A245-F291 HydrophobicContact CB-CE1 4.14Å; A245-F291 HydrophobicContact CB-CE2 4.44Å; A245-F291 HydrophobicContact CB-CG 3.63Å; A245-F291 HydrophobicContact CB-CZ 4.48Å; Q280-F291 HydrophobicContact CG-CB 3.72Å; Q280-F291 HydrophobicContact CG-CD2 4.12Å; Q280-F291 HydrophobicContact CG-CG 4.44Å; Q280-F291 WeakPolarHBondContact CG-O 3.39Å; Q280-F291 PolarHBondContact N-O 3.31Å; Q280-F291 PolarHBondContact O-N 2.85Å; H282-F291 AromaticContact CD2-CD2 3.61Å; H282-F291 AromaticContact CD2-CE2 3.76Å; H282-F291 AromaticContact NE2-CD2 3.66Å; H282-F291 AromaticContact NE2-CE2 3.93Å; K289-F291 HydrophobicContact CB-CE2 3.86Å; K289-F291 HydrophobicContact CB-CZ 4Å; K289-F291 HydrophobicContact CD-CE2 4.49Å; K289-F291 HydrophobicContact CD-CZ 3.96Å; F291-Y296 WeakPolarHBondContact CA-O 3.36Å; F291-N297 HydrophobicContact CD1-CB 4.23Å; F291-N297 HydrophobicContact CE1-CB 4.2Å
292	S	96.4	Very high	96.2	Very high	5 Å²	5	49.1 Å²	49.1	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	169.6	174	64.1	0	0	0	0	111.4	M279 N294 G295 Y296	M279-S292 PolarHBondContact SD-N 3.29Å; S292-N294 PolarHBondContact O-N 2.94Å; S292-G295 PolarHBondContact O-N 2.92Å; S292-Y296 PolarHBondContact N-O 3.01Å; S292-Y296 WeakPolarHBondContact OG-CB 3.34Å; S292-Y296 PolarHBondContact OG-N 3.41Å; S292-Y296 PolarHBondContact OG-O 3.1Å
293	R	95.6	Very high	96.1	Very high	124 Å²	124	49.1 Å²	49.1	47%	0.468	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-36.9	173.3	-178.6	173	174.9	177.6	-4.6	116.2	P248 R278	P248-R293 WeakPolarHBondContact CD-O 3.23Å; P248-R293 HydrophobicContact CG-CG 4.49Å; R278-R293 HydrophobicContact CB-CB 4.18Å; R278-R293 HydrophobicContact CG-CB 4.41Å; R278-R293 PolarHBondContact O-N 3.21Å
294	N	93.8	Very high	96.1	Very high	98 Å²	98	50.6 Å²	50.6	52%	0.524	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	9.5	-177.9	-68.7	-29.3	0	0	0	112.6	R77 S292 Y296	R77-N294 PolarHBondContact NE-O 3.33Å; R77-N294 PolarHBondContact NH2-O 3.35Å; S292-N294 PolarHBondContact O-N 2.94Å; N294-Y296 HydrophobicContact CB-CD2 3.91Å; N294-Y296 HydrophobicContact CB-CE2 3.93Å
295	G	94.1	Very high	96	Very high	9 Å²	9	49.3 Å²	49.3	9%	0.093	25%	0.252	C	S	.	.	S	Bend	trans	77.6	15.1	179.3	0	0	0	0	0	115	S292	S292-G295 PolarHBondContact O-N 2.92Å
296	Y	93.4	Very high	96	Very high	95 Å²	95	50.3 Å²	50.3	37%	0.373	26%	0.257	S	S	.	.			trans	-76.3	136.9	169.3	-66.1	-77.7	0	0	0	110.3	F291 S292 N294 Y298	F291-Y296 WeakPolarHBondContact CA-O 3.36Å; S292-Y296 PolarHBondContact N-O 3.01Å; S292-Y296 WeakPolarHBondContact OG-CB 3.34Å; S292-Y296 PolarHBondContact OG-N 3.41Å; S292-Y296 PolarHBondContact OG-O 3.1Å; N294-Y296 HydrophobicContact CB-CD2 3.91Å; N294-Y296 HydrophobicContact CB-CE2 3.93Å; Y296-Y298 WeakPolarHBondContact O-CD2 3.39Å
297	N	94.2	Very high	95.9	Very high	87 Å²	87	51.8 Å²	51.8	47%	0.465	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-75.4	127.9	177.4	-171.7	-13.1	0	0	0	110.8	Y290 F291 T299	Y290-N297 WeakPolarHBondContact O-CA 3.4Å; Y290-N297 PolarHBondContact O-OD1 2.87Å; F291-N297 HydrophobicContact CD1-CB 4.23Å; F291-N297 HydrophobicContact CE1-CB 4.2Å; N297-T299 WeakPolarHBondContact OD1-CB 3.17Å; N297-T299 PolarHBondContact OD1-N 3.12Å; N297-T299 PolarHBondContact OD1-OG1 2.92Å
298	Y	94.8	Very high	95.7	Very high	65 Å²	65	52.9 Å²	52.9	26%	0.255	27%	0.27	S	S	.	.			trans	-122.4	21.3	176.7	-80.2	-85.9	0	0	0	112.4	M279 Y290 Y296 D300 Q301 F302 K352	M279-Y298 HydrophobicContact CE-CD2 4.49Å; Y290-Y298 PolarHBondContact O-N 3.32Å; Y296-Y298 WeakPolarHBondContact O-CD2 3.39Å; Y298-D300 VanDerWaalsContact C-N 3.3Å; Y298-D300 PolarHBondContact O-N 3.41Å; Y298-Q301 PolarHBondContact O-N 3.43Å; Y298-Q301 VanDerWaalsContact O-N 3.14Å; Y298-F302 HydrophobicContact CG-CE2 4.35Å; Y298-F302 VanDerWaalsContact O-CD2 3.3Å; Y298-F302 WeakPolarHBondContact O-CD2 3.46Å; Y298-F302 PolarHBondContact O-N 3.27Å; Y298-K352 HydrophobicContact CD1-CB 4.03Å; Y298-K352 HydrophobicContact CD1-CD 4.11Å; Y298-K352 HydrophobicContact CD1-CG 3.83Å; Y298-K352 HydrophobicContact CE1-CB 3.69Å; Y298-K352 HydrophobicContact CE1-CD 3.4Å; Y298-K352 VanDerWaalsContact CE1-CD 3.4Å; Y298-K352 HydrophobicContact CE1-CG 3.59Å; Y298-K352 HydrophobicContact CE2-CD 4.15Å; Y298-K352 VanDerWaalsContact CE2-CE 3.46Å; Y298-K352 VanDerWaalsContact CZ-CD 3.43Å; Y298-K352 WeakPolarHBondContact OH-CD 3.35Å; Y298-K352 WeakPolarHBondContact OH-CE 3.5Å
299	T	95.9	Very high	95.4	Very high	8 Å²	8	53.8 Å²	53.8	5%	0.049	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-38.9	-178.1	-52.1	0	0	0	0	111.7	Y288 K289 Y290 N297 Q301 F302 G303 A304	Y288-T299 VanDerWaalsContact O-CG2 3.22Å; Y288-T299 WeakPolarHBondContact O-CG2 3.47Å; K289-T299 WeakPolarHBondContact CA-OG1 3.32Å; Y290-T299 PolarHBondContact N-OG1 2.75Å; N297-T299 WeakPolarHBondContact OD1-CB 3.17Å; N297-T299 PolarHBondContact OD1-N 3.12Å; N297-T299 PolarHBondContact OD1-OG1 2.92Å; T299-Q301 PolarHBondContact O-N 3.04Å; T299-Q301 VanDerWaalsContact O-N 3.1Å; T299-F302 PolarHBondContact O-N 3.09Å; T299-G303 CarbonylContact O-C 3.54Å; T299-G303 WeakPolarHBondContact O-CA 3.37Å; T299-G303 PolarHBondContact O-N 3.2Å; T299-A304 VanDerWaalsContact CG2-CA 3.43Å; T299-A304 HydrophobicContact CG2-CB 3.51Å
300	D	92.8	Very high	95.1	Very high	161 Å²	161	51.2 Å²	51.2	86%	0.861	27%	0.271	S	S	*	.	H	α-helix	trans	-56.5	-30.3	176.9	-56	-8.2	0	0	0	113	Y298	Y298-D300 VanDerWaalsContact C-N 3.3Å; Y298-D300 PolarHBondContact O-N 3.41Å
301	Q	90.8	Very high	95	Very high	45 Å²	45	51.2 Å²	51.2	21%	0.21	27%	0.271	C	S	.	.	H	α-helix	trans	-83.1	-48	178.3	177	66.2	35.8	0	0	111.7	Y298 T299 S310 K352 M354	Y298-Q301 PolarHBondContact O-N 3.43Å; Y298-Q301 VanDerWaalsContact O-N 3.14Å; T299-Q301 PolarHBondContact O-N 3.04Å; T299-Q301 VanDerWaalsContact O-N 3.1Å; Q301-S310 PolarHBondContact O-N 3.23Å; Q301-S310 PolarHBondContact O-OG 3.43Å; Q301-K352 WeakPolarHBondContact CG-O 3.37Å; Q301-K352 PolarHBondContact OE1-O 2.81Å; Q301-K352 VanDerWaalsContact OE1-O 3.12Å; Q301-M354 PolarHBondContact NE2-O 3.18Å
302	F	95.3	Very high	95	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-89.7	-18.7	-170	-62.1	-56.9	0	0	0	113.6	M279 Y290 Y298 T299 L311 T312 M332 I351 T362	M279-F302 HydrophobicContact CE-CE2 3.59Å; M279-F302 HydrophobicContact CE-CZ 4.07Å; M279-F302 HydrophobicContact CG-CE2 4.28Å; M279-F302 HydrophobicContact SD-CD2 4.48Å; M279-F302 HydrophobicContact SD-CE2 3.92Å; Y290-F302 HydrophobicContact CD1-CB 4.03Å; Y290-F302 HydrophobicContact CD1-CD2 4.1Å; Y290-F302 HydrophobicContact CD1-CG 4.29Å; Y290-F302 HydrophobicContact CD2-CB 3.61Å; Y290-F302 HydrophobicContact CD2-CD2 4.49Å; Y290-F302 HydrophobicContact CE1-CB 4.14Å; Y290-F302 HydrophobicContact CE2-CB 3.75Å; Y290-F302 HydrophobicContact CG-CB 3.76Å; Y290-F302 AromaticContact CG-CD2 3.87Å; Y290-F302 HydrophobicContact CG-CD2 3.87Å; Y290-F302 HydrophobicContact CG-CG 4.2Å; Y298-F302 HydrophobicContact CG-CE2 4.35Å; Y298-F302 VanDerWaalsContact O-CD2 3.3Å; Y298-F302 WeakPolarHBondContact O-CD2 3.46Å; Y298-F302 PolarHBondContact O-N 3.27Å; T299-F302 PolarHBondContact O-N 3.09Å; F302-L311 HydrophobicContact CB-CB 4.32Å; F302-L311 HydrophobicContact CD1-CB 4.31Å; F302-L311 PolarHBondContact O-N 2.74Å; F302-T312 WeakPolarHBondContact O-CB 3.49Å; F302-T312 PolarHBondContact O-N 2.74Å; F302-T312 PolarHBondContact O-OG1 3.27Å; F302-M332 HydrophobicContact CD1-CE 4.08Å; F302-M332 HydrophobicContact CD2-CE 4.36Å; F302-M332 HydrophobicContact CE1-CE 3.94Å; F302-M332 HydrophobicContact CE1-CG 3.9Å; F302-M332 HydrophobicContact CE1-SD 4.26Å; F302-M332 HydrophobicContact CE2-CE 4.22Å; F302-M332 HydrophobicContact CG-CE 4.3Å; F302-M332 HydrophobicContact CZ-CE 4.01Å; F302-M332 HydrophobicContact CZ-CG 4.02Å; F302-I351 HydrophobicContact CE1-CG2 4.37Å; F302-T362 HydrophobicContact CD1-CG2 4.18Å; F302-T362 HydrophobicContact CE1-CG2 3.93Å
303	G	96.4	Very high	95	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.279	C	S	.	.			trans	114.7	132	177.2	0	0	0	0	0	112.6	Y290 T299 E308 T312	Y290-G303 VanDerWaalsContact CE2-O 3.27Å; Y290-G303 WeakPolarHBondContact CE2-O 2.94Å; T299-G303 CarbonylContact O-C 3.54Å; T299-G303 WeakPolarHBondContact O-CA 3.37Å; T299-G303 PolarHBondContact O-N 3.2Å; G303-E308 WeakPolarHBondContact CA-O 3.43Å; G303-T312 WeakPolarHBondContact CA-OG1 3.29Å; G303-T312 PolarHBondContact O-OG1 2.95Å; G303-T312 VanDerWaalsContact O-OG1 3.04Å
304	A	97.8	Very high	95.1	Very high	38 Å²	38	50.8 Å²	50.8	31%	0.314	28%	0.277	S	S	.	.	S	Bend	trans	-87.3	-17	170.1	0	0	0	0	0	112	Y288 T299 E308	Y288-A304 PolarHBondContact N-O 2.8Å; T299-A304 VanDerWaalsContact CG2-CA 3.43Å; T299-A304 HydrophobicContact CG2-CB 3.51Å; A304-E308 VanDerWaalsContact CB-OE1 3.31Å; A304-E308 WeakPolarHBondContact CB-OE1 3.17Å; A304-E308 PolarHBondContact N-OE1 3.13Å
305	S	97.6	Very high	95.3	Very high	25 Å²	25	46.1 Å²	46.1	18%	0.175	25%	0.252	C	S	.	.	S	Bend	trans	-144.7	166.7	-174.9	63.8	0	0	0	0	112.4	D286 T307 E308 T312	D286-S305 WeakPolarHBondContact O-CA 3.39Å; S305-T307 PolarHBondContact O-N 2.68Å; S305-T307 PolarHBondContact OG-OG1 3.3Å; S305-E308 PolarHBondContact N-OE1 3.28Å; S305-E308 PolarHBondContact O-N 3.47Å; S305-E308 WeakPolarHBondContact OG-CG 3.37Å; S305-E308 PolarHBondContact OG-OE1 3.14Å; S305-T312 VanDerWaalsContact O-CG2 3.28Å; S305-T312 WeakPolarHBondContact O-CG2 3.36Å
306	P	97.5	Very high	95.5	Very high	32 Å²	32	47.7 Å²	47.7	21%	0.208	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-5.2	179.1	-22.4	35.9	0	0	0	114.8	D286 P313 H316	D286-P306 HydrophobicContact CB-CG 4.14Å; D286-P306 WeakPolarHBondContact O-CD 3.19Å; P306-P313 VanDerWaalsContact O-CA 3.24Å; P306-P313 WeakPolarHBondContact O-CA 3.5Å; P306-P313 VanDerWaalsContact O-CB 3.23Å; P306-P313 WeakPolarHBondContact O-CB 3.5Å; P306-H316 HydrophobicContact CB-CB 3.92Å; P306-H316 HydrophobicContact CG-CB 4.14Å; P306-H316 VanDerWaalsContact CG-CG 3.5Å; P306-H316 WeakPolarHBondContact CG-ND1 3.31Å
307	T	95.9	Very high	95.7	Very high	128 Å²	128	49.9 Å²	49.9	79%	0.785	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-5	-176.1	52.4	0	0	0	0	114.1	S305	S305-T307 PolarHBondContact O-N 2.68Å; S305-T307 PolarHBondContact OG-OG1 3.3Å
308	E	94.1	Very high	95.8	Very high	97 Å²	97	46 Å²	46	45%	0.453	25%	0.254	S	S	.	.	S	Bend	trans	-142.5	158.1	-174.4	73	-165.2	156	0	0	112.9	G303 A304 S305 P313	G303-E308 WeakPolarHBondContact CA-O 3.43Å; A304-E308 VanDerWaalsContact CB-OE1 3.31Å; A304-E308 WeakPolarHBondContact CB-OE1 3.17Å; A304-E308 PolarHBondContact N-OE1 3.13Å; S305-E308 PolarHBondContact N-OE1 3.28Å; S305-E308 PolarHBondContact O-N 3.47Å; S305-E308 WeakPolarHBondContact OG-CG 3.37Å; S305-E308 PolarHBondContact OG-OE1 3.14Å; E308-P313 WeakPolarHBondContact O-CD 3.4Å; E308-P313 VanDerWaalsContact O-CG 3.24Å; E308-P313 WeakPolarHBondContact O-CG 3.44Å
309	G	92.8	Very high	96	Very high	20 Å²	20	43.8 Å²	43.8	21%	0.206	25%	0.246	C	C	.	.	S	Bend	trans	89.3	168	173.1	0	0	0	0	0	115	L311 P313	G309-L311 VanDerWaalsContact C-N 3.31Å; G309-L311 PolarHBondContact O-N 2.95Å; G309-P313 VanDerWaalsContact O-CD 3.31Å; G309-P313 WeakPolarHBondContact O-CD 3.44Å
310	S	91.9	Very high	96	Very high	21 Å²	21	47.8 Å²	47.8	15%	0.147	26%	0.263	C	S	.	.	S	Bend	trans	-79	-8.8	-169	76.3	0	0	0	0	115.2	Q301 T362	Q301-S310 PolarHBondContact O-N 3.23Å; Q301-S310 PolarHBondContact O-OG 3.43Å; S310-T362 PolarHBondContact OG-OG1 3.44Å
311	L	95.7	Very high	96.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-132.3	-53.9	-173.6	-178.5	68.8	0	0	0	113.2	Y290 F302 G309 F314 I315 M332 T362 Y364 R399	Y290-L311 HydrophobicContact CE1-CD2 3.89Å; F302-L311 HydrophobicContact CB-CB 4.32Å; F302-L311 HydrophobicContact CD1-CB 4.31Å; F302-L311 PolarHBondContact O-N 2.74Å; G309-L311 VanDerWaalsContact C-N 3.31Å; G309-L311 PolarHBondContact O-N 2.95Å; L311-F314 WeakPolarHBondContact O-CB 3.3Å; L311-F314 PolarHBondContact O-N 3.41Å; L311-I315 HydrophobicContact CD1-CG2 3.59Å; L311-I315 HydrophobicContact CD2-CD1 4.05Å; L311-I315 HydrophobicContact CG-CD1 3.92Å; L311-I315 HydrophobicContact CG-CG1 4.22Å; L311-I315 HydrophobicContact CG-CG2 4.01Å; L311-I315 PolarHBondContact O-N 2.98Å; L311-M332 HydrophobicContact CD2-CE 3.65Å; L311-M332 HydrophobicContact CD2-SD 3.84Å; L311-T362 HydrophobicContact CB-CG2 4.32Å; L311-T362 HydrophobicContact CD1-CG2 4.24Å; L311-Y364 HydrophobicContact CD2-CG 4.4Å; L311-R399 WeakPolarHBondContact CD1-O 3.33Å
312	T	97.9	Very high	96.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-50.2	-45	-170.6	-52.3	0	0	0	0	113.9	Y288 Y290 F302 G303 S305 F314 I315 H316	Y288-T312 HydrophobicContact CD1-CG2 3.99Å; Y288-T312 HydrophobicContact CD2-CG2 3.41Å; Y288-T312 VanDerWaalsContact CD2-CG2 3.41Å; Y288-T312 HydrophobicContact CE1-CG2 4.19Å; Y288-T312 HydrophobicContact CE2-CG2 3.66Å; Y288-T312 HydrophobicContact CG-CG2 3.59Å; Y290-T312 WeakPolarHBondContact CE2-OG1 3.24Å; Y290-T312 PolarHBondContact OH-OG1 2.86Å; F302-T312 WeakPolarHBondContact O-CB 3.49Å; F302-T312 PolarHBondContact O-N 2.74Å; F302-T312 PolarHBondContact O-OG1 3.27Å; G303-T312 WeakPolarHBondContact CA-OG1 3.29Å; G303-T312 PolarHBondContact O-OG1 2.95Å; G303-T312 VanDerWaalsContact O-OG1 3.04Å; S305-T312 VanDerWaalsContact O-CG2 3.28Å; S305-T312 WeakPolarHBondContact O-CG2 3.36Å; T312-F314 PolarHBondContact O-N 2.76Å; T312-F314 VanDerWaalsContact O-N 3.16Å; T312-I315 PolarHBondContact O-N 2.97Å; T312-H316 WeakPolarHBondContact O-CB 3.1Å; T312-H316 PolarHBondContact O-N 2.98Å
313	P	97.1	Very high	96.3	Very high	40 Å²	40	50.8 Å²	50.8	26%	0.26	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-29.2	179.6	-25.2	37.8	0	0	0	113.3	P306 E308 G309	P306-P313 VanDerWaalsContact O-CA 3.24Å; P306-P313 WeakPolarHBondContact O-CA 3.5Å; P306-P313 VanDerWaalsContact O-CB 3.23Å; P306-P313 WeakPolarHBondContact O-CB 3.5Å; E308-P313 WeakPolarHBondContact O-CD 3.4Å; E308-P313 VanDerWaalsContact O-CG 3.24Å; E308-P313 WeakPolarHBondContact O-CG 3.44Å; G309-P313 VanDerWaalsContact O-CD 3.31Å; G309-P313 WeakPolarHBondContact O-CD 3.44Å
314	F	96.8	Very high	96.4	Very high	97 Å²	97	55.6 Å²	55.6	43%	0.425	31%	0.309	S	S	.	.	H	α-helix	trans	-90	-15.8	-176	-51.4	-77.1	0	0	0	113.2	L311 T312 R399	L311-F314 WeakPolarHBondContact O-CB 3.3Å; L311-F314 PolarHBondContact O-N 3.41Å; T312-F314 PolarHBondContact O-N 2.76Å; T312-F314 VanDerWaalsContact O-N 3.16Å; F314-R399 HydrophobicContact CB-CG 4.25Å; F314-R399 VanDerWaalsContact CG-NH1 3.3Å
315	I	98.1	Very high	96.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-113.4	-14.6	-176.5	68.3	162.4	0	0	0	113.4	M281 L311 T312 N317 A318 F319 R399 I400	M281-I315 HydrophobicContact SD-CD1 3.76Å; L311-I315 HydrophobicContact CD1-CG2 3.59Å; L311-I315 HydrophobicContact CD2-CD1 4.05Å; L311-I315 HydrophobicContact CG-CD1 3.92Å; L311-I315 HydrophobicContact CG-CG1 4.22Å; L311-I315 HydrophobicContact CG-CG2 4.01Å; L311-I315 PolarHBondContact O-N 2.98Å; T312-I315 PolarHBondContact O-N 2.97Å; I315-N317 VanDerWaalsContact C-N 3.31Å; I315-N317 PolarHBondContact O-N 3.45Å; I315-A318 WeakPolarHBondContact O-CB 3.27Å; I315-A318 PolarHBondContact O-N 3.42Å; I315-F319 HydrophobicContact CD1-CE2 4.3Å; I315-F319 HydrophobicContact CG1-CE2 4.46Å; I315-F319 WeakPolarHBondContact O-CD2 3.22Å; I315-F319 WeakPolarHBondContact O-CE2 3.38Å; I315-R399 HydrophobicContact CG2-CB 4.27Å; I315-I400 HydrophobicContact CB-CB 4.33Å; I315-I400 HydrophobicContact CB-CG2 4.12Å; I315-I400 HydrophobicContact CD1-CD1 4.31Å; I315-I400 HydrophobicContact CG2-CB 3.74Å; I315-I400 HydrophobicContact CG2-CG2 3.85Å
316	H	98.2	Very high	96.4	Very high	42 Å²	42	53.5 Å²	53.5	19%	0.194	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-55.4	-45.6	-175.8	178.6	71.3	0	0	0	112.6	D286 Y288 P306 T312 A318 F319	D286-H316 IonicContact OD1-CE1 2.79Å; D286-H316 PolarHBondContact OD1-CE1 2.92Å; D286-H316 IonicContact OD1-NE2 2.77Å; Y288-H316 AromaticContact CE2-ND1 3.74Å; Y288-H316 AromaticContact CZ-ND1 3.78Å; Y288-H316 PolarHBondContact OH-ND1 3.27Å; P306-H316 HydrophobicContact CB-CB 3.92Å; P306-H316 HydrophobicContact CG-CB 4.14Å; P306-H316 VanDerWaalsContact CG-CG 3.5Å; P306-H316 WeakPolarHBondContact CG-ND1 3.31Å; T312-H316 WeakPolarHBondContact O-CB 3.1Å; T312-H316 PolarHBondContact O-N 2.98Å; H316-A318 PolarHBondContact O-N 2.87Å; H316-F319 WeakPolarHBondContact O-CD2 3.32Å
317	N	97.5	Very high	96.5	Very high	141 Å²	141	52 Å²	52	75%	0.754	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-78.1	-3.2	179.7	-63	-25.8	0	0	0	113.9	I315	I315-N317 VanDerWaalsContact C-N 3.31Å; I315-N317 PolarHBondContact O-N 3.45Å
318	A	97.9	Very high	96.6	Very high	5 Å²	5	45.9 Å²	45.9	4%	0.041	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-74.6	-30.6	175.4	0	0	0	0	0	111.8	I315 H316 F393 T394 I396 I400	I315-A318 WeakPolarHBondContact O-CB 3.27Å; I315-A318 PolarHBondContact O-N 3.42Å; H316-A318 PolarHBondContact O-N 2.87Å; A318-F393 HydrophobicContact CB-CB 4.42Å; A318-F393 CarbonylContact O-C 3.57Å; A318-F393 VanDerWaalsContact O-CA 3.22Å; A318-F393 WeakPolarHBondContact O-CA 3.19Å; A318-F393 WeakPolarHBondContact O-CB 3.33Å; A318-T394 PolarHBondContact O-N 2.95Å; A318-I396 HydrophobicContact CB-CD1 3.69Å; A318-I396 HydrophobicContact CB-CG1 4.09Å; A318-I400 HydrophobicContact CB-CG2 3.86Å
319	F	98.3	Very high	96.9	Very high	18 Å²	18	41.3 Å²	41.3	8%	0.079	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-65.7	140.8	179.5	-67.4	-84	0	0	0	110.8	M281 K283 Y288 I315 H316 I323 L328 I392 F393 I400	M281-F319 HydrophobicContact CE-CE1 3.94Å; M281-F319 HydrophobicContact CE-CE2 4.21Å; M281-F319 HydrophobicContact CE-CZ 3.34Å; M281-F319 HydrophobicContact SD-CZ 4.2Å; K283-F319 HydrophobicContact CD-CD1 4.18Å; K283-F319 HydrophobicContact CD-CD2 4.19Å; K283-F319 HydrophobicContact CD-CE1 4.32Å; K283-F319 HydrophobicContact CD-CE2 4.34Å; K283-F319 HydrophobicContact CD-CG 4.14Å; K283-F319 HydrophobicContact CD-CZ 4.43Å; Y288-F319 HydrophobicContact CE1-CE2 4.26Å; I315-F319 HydrophobicContact CD1-CE2 4.3Å; I315-F319 HydrophobicContact CG1-CE2 4.46Å; I315-F319 WeakPolarHBondContact O-CD2 3.22Å; I315-F319 WeakPolarHBondContact O-CE2 3.38Å; H316-F319 WeakPolarHBondContact O-CD2 3.32Å; F319-I323 HydrophobicContact CD1-CG2 4.28Å; F319-L328 HydrophobicContact CE1-CD1 4.14Å; F319-L328 HydrophobicContact CZ-CD1 4.23Å; F319-I392 HydrophobicContact CD1-CG2 3.85Å; F319-I392 HydrophobicContact CE1-CG2 4.03Å; F319-F393 HydrophobicContact CD1-CB 4.1Å; F319-F393 HydrophobicContact CE1-CB 4.36Å; F319-F393 HydrophobicContact CG-CB 4.44Å; F319-I400 HydrophobicContact CZ-CD1 4.22Å
320	K	96.8	Very high	97.1	Very high	92 Å²	92	40.3 Å²	40.3	40%	0.4	21%	0.211	S	C	.	.			trans	-66	152.1	173.2	-58.9	-60.5	-169.7	-177.3	0	110	D322 I323 S391 I392 T394	K320-D322 WeakPolarHBondContact CB-OD1 3.39Å; K320-D322 PolarHBondContact O-N 3.1Å; K320-I323 HydrophobicContact CB-CG1 4.12Å; K320-I323 WeakPolarHBondContact O-CB 3.31Å; K320-I323 PolarHBondContact O-N 3.37Å; K320-S391 VanDerWaalsContact CG-O 3.3Å; K320-S391 WeakPolarHBondContact CG-O 3.06Å; K320-I392 PolarHBondContact N-O 2.9Å; K320-T394 WeakPolarHBondContact CE-OG1 3.41Å; K320-T394 PolarHBondContact NZ-OG1 3.38Å
321	T	93.3	Very high	97.4	Very high	153 Å²	153	40.6 Å²	40.6	94%	0.939	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.8	-172.5	47.9	0	0	0	0	114.2	I323	T321-I323 VanDerWaalsContact C-N 3.32Å
322	D	94.8	Very high	97.4	Very high	106 Å²	106	40.6 Å²	40.6	57%	0.567	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-6.7	177.8	61.4	-35.7	0	0	0	113.1	K320 Q324 N373	K320-D322 WeakPolarHBondContact CB-OD1 3.39Å; K320-D322 PolarHBondContact O-N 3.1Å; D322-Q324 PolarHBondContact O-N 3.3Å; D322-N373 PolarHBondContact O-ND2 3.09Å
323	I	96.9	Very high	97.1	Very high	11 Å²	11	41 Å²	41	6%	0.056	21%	0.212	C	C	.	.			trans	-91.8	93.3	-178.1	-52.3	-58.1	0	0	0	111	K283 F319 K320 T321 C326 V372 I392	K283-I323 PolarHBondContact NZ-O 3.38Å; F319-I323 HydrophobicContact CD1-CG2 4.28Å; K320-I323 HydrophobicContact CB-CG1 4.12Å; K320-I323 WeakPolarHBondContact O-CB 3.31Å; K320-I323 PolarHBondContact O-N 3.37Å; T321-I323 VanDerWaalsContact C-N 3.32Å; I323-C326 HydrophobicContact CG2-CB 4.04Å; I323-V372 HydrophobicContact CD1-CG1 3.8Å; I323-I392 HydrophobicContact CG1-CG2 4.24Å; I323-I392 HydrophobicContact CG2-CG2 4.04Å
324	Q	97.1	Very high	96.8	Very high	102 Å²	102	39 Å²	39	48%	0.477	20%	0.2	S	C	.	.			trans	-78.6	-56.5	172	-179.3	61.7	23.9	0	0	110.7	K283 D284 G285 D322 N373	K283-Q324 PolarHBondContact NZ-O 2.99Å; D284-Q324 WeakPolarHBondContact CA-O 3.39Å; D284-Q324 PolarHBondContact OD1-NE2 3.36Å; G285-Q324 PolarHBondContact N-O 3.05Å; D322-Q324 PolarHBondContact O-N 3.3Å; Q324-N373 PolarHBondContact N-OD1 2.85Å
325	I	98.4	Very high	96.4	Very high	19 Å²	19	35.5 Å²	35.5	10%	0.097	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.8	-175	-65	170.3	0	0	0	110.1	L242 K283 D284 M371 V372 N373 N374	L242-I325 HydrophobicContact CD1-CG2 3.88Å; L242-I325 HydrophobicContact CD2-CD1 4.14Å; L242-I325 HydrophobicContact CD2-CG1 4.17Å; L242-I325 HydrophobicContact CD2-CG2 3.74Å; L242-I325 HydrophobicContact CG-CG2 4.37Å; K283-I325 VanDerWaalsContact O-CA 3.3Å; K283-I325 WeakPolarHBondContact O-CA 3.38Å; D284-I325 HydrophobicContact CB-CG1 4.32Å; I325-M371 HydrophobicContact CG2-CG 4.3Å; I325-M371 HydrophobicContact CG2-SD 3.96Å; I325-V372 CarbonylContact O-C 3.48Å; I325-V372 WeakPolarHBondContact O-CA 3.3Å; I325-N373 PolarHBondContact N-OD1 3.28Å; I325-N373 VanDerWaalsContact N-OD1 3.09Å; I325-N373 PolarHBondContact O-N 3.02Å; I325-N374 WeakPolarHBondContact CD1-OD1 3.4Å
326	C	98	Very high	95.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.5	166.6	73.3	0	0	0	0	113.7	K283 I323 M371	K283-C326 PolarHBondContact N-O 2.78Å; K283-C326 PolarHBondContact O-N 2.69Å; K283-C326 VanDerWaalsContact O-N 3.07Å; I323-C326 HydrophobicContact CG2-CB 4.04Å; C326-M371 CarbonylContact C-O 3.6Å; C326-M371 VanDerWaalsContact CA-O 3.24Å; C326-M371 WeakPolarHBondContact CA-O 3.39Å
327	I	98.8	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.3	168.5	-59.3	174.6	0	0	0	108.6	I240 L242 F246 M281 V369 L370 M371	I240-I327 HydrophobicContact CG2-CD1 3.88Å; L242-I327 HydrophobicContact CD1-CD1 4.29Å; L242-I327 HydrophobicContact CD1-CG1 3.93Å; F246-I327 HydrophobicContact CE1-CG2 3.64Å; F246-I327 HydrophobicContact CZ-CG2 4.28Å; M281-I327 CarbonylContact O-C 3.04Å; M281-I327 WeakPolarHBondContact O-CA 3.46Å; I327-V369 WeakPolarHBondContact O-CA 3.43Å; I327-V369 WeakPolarHBondContact O-CG2 3.17Å; I327-L370 HydrophobicContact CB-CB 4.19Å; I327-L370 HydrophobicContact CG2-CB 3.98Å; I327-L370 PolarHBondContact O-N 2.85Å; I327-M371 HydrophobicContact CB-CB 4Å; I327-M371 HydrophobicContact CD1-CB 3.76Å; I327-M371 HydrophobicContact CD1-CE 4.21Å; I327-M371 HydrophobicContact CD1-CG 4.47Å; I327-M371 HydrophobicContact CD1-SD 3.93Å; I327-M371 HydrophobicContact CG1-CB 3.83Å; I327-M371 HydrophobicContact CG1-SD 4.43Å; I327-M371 PolarHBondContact N-O 2.88Å
328	L	98.8	Very high	94.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	148.8	179.7	-57.9	-174.1	0	0	0	111.1	Q280 M281 F319 Y364 V366 V369 L389 I392 F393 I400	Q280-L328 CarbonylContact C-O 3.59Å; Q280-L328 VanDerWaalsContact CA-O 3.23Å; Q280-L328 WeakPolarHBondContact CA-O 3.37Å; Q280-L328 WeakPolarHBondContact CB-O 3.48Å; M281-L328 HydrophobicContact CB-CB 4.43Å; M281-L328 HydrophobicContact CE-CD1 3.64Å; M281-L328 HydrophobicContact CE-CG 3.95Å; M281-L328 PolarHBondContact N-O 3.23Å; M281-L328 PolarHBondContact O-N 2.82Å; F319-L328 HydrophobicContact CE1-CD1 4.14Å; F319-L328 HydrophobicContact CZ-CD1 4.23Å; L328-Y364 HydrophobicContact CB-CE1 4.08Å; L328-Y364 HydrophobicContact CD1-CE1 4.32Å; L328-Y364 PolarHBondContact O-OH 2.68Å; L328-V366 HydrophobicContact CB-CG1 3.96Å; L328-V366 HydrophobicContact CD1-CG1 4.12Å; L328-V366 HydrophobicContact CD1-CG2 4.04Å; L328-V366 HydrophobicContact CD2-CG1 4.22Å; L328-V366 HydrophobicContact CG-CG1 4.33Å; L328-V369 HydrophobicContact CD2-CB 4.03Å; L328-V369 HydrophobicContact CD2-CG2 3.96Å; L328-L389 HydrophobicContact CD2-CD1 4.08Å; L328-I392 HydrophobicContact CD2-CD1 4.31Å; L328-F393 HydrophobicContact CD1-CE1 4.29Å; L328-I400 HydrophobicContact CD1-CD1 4.47Å
329	D	98.8	Very high	93.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.6	168.8	-172.5	16.6	0	0	0	109.2	R278 F367 D368 L370 Y438	R278-D329 IonicContact CZ-OD1 3.86Å; R278-D329 IonicContact CZ-OD2 2.89Å; R278-D329 IonicContact NE-OD1 3.2Å; R278-D329 PolarHBondContact NE-OD1 3.38Å; R278-D329 IonicContact NE-OD2 2.94Å; R278-D329 PolarHBondContact NE-OD2 3.48Å; R278-D329 IonicContact NH2-OD1 2.76Å; R278-D329 PolarHBondContact NH2-OD1 2.87Å; R278-D329 IonicContact NH2-OD2 3.25Å; R278-D329 PolarHBondContact NH2-OD2 2.96Å; D329-F367 VanDerWaalsContact C-CZ 3.46Å; D329-F367 HydrophobicContact CB-CE2 3.95Å; D329-F367 HydrophobicContact CB-CZ 4.33Å; D329-F367 WeakPolarHBondContact O-CE2 3.34Å; D329-F367 PolarHBondContact O-N 2.86Å; D329-F367 WeakPolarHBondContact OD2-CE2 3.31Å; D329-D368 HydrophobicContact CB-CB 4.24Å; D329-D368 PolarHBondContact N-O 2.85Å; D329-D368 PolarHBondContact O-N 3.38Å; D329-D368 VanDerWaalsContact O-N 3.1Å; D329-L370 HydrophobicContact CB-CD2 3.76Å; D329-Y438 PolarHBondContact OD2-OH 3.18Å
330	G	98.3	Very high	93.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	175.8	-167.6	0	0	0	0	0	112.8	R278 M279 Y364 C365	R278-G330 WeakPolarHBondContact CD-O 3.25Å; M279-G330 PolarHBondContact N-O 3.37Å; M279-G330 PolarHBondContact O-N 3.18Å; M279-G330 VanDerWaalsContact O-N 3.09Å; G330-Y364 VanDerWaalsContact CA-CE2 3.46Å; G330-Y364 PolarHBondContact N-OH 3.1Å; G330-C365 CarbonylContact C-O 3.57Å; G330-C365 WeakPolarHBondContact CA-O 3.29Å
331	E	97.7	Very high	92.4	Very high	26 Å²	26	45.5 Å²	45.5	12%	0.121	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.3	174.4	-152.4	76	-172.2	0	0	108.6	L274 G276 E277 R278 M333 C365 F367	L274-E331 HydrophobicContact CB-CB 4.18Å; L274-E331 HydrophobicContact CB-CG 4.14Å; L274-E331 HydrophobicContact CD1-CB 4.19Å; G276-E331 VanDerWaalsContact C-OE1 3.29Å; E277-E331 PolarHBondContact N-OE1 3.18Å; R278-E331 VanDerWaalsContact CA-OE2 3.25Å; R278-E331 WeakPolarHBondContact CA-OE2 3.44Å; R278-E331 WeakPolarHBondContact CB-OE2 3.34Å; R278-E331 WeakPolarHBondContact CD-OE2 3.23Å; R278-E331 PolarHBondContact N-OE1 3.4Å; R278-E331 PolarHBondContact N-OE2 2.98Å; E331-M333 HydrophobicContact CB-SD 4.48Å; E331-M333 HydrophobicContact CG-SD 4.16Å; E331-C365 PolarHBondContact N-O 3.14Å; E331-C365 PolarHBondContact O-N 3.19Å; E331-F367 HydrophobicContact CB-CE1 4.33Å
332	M	95.8	Very high	91.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.8	173.2	-154.2	67.1	73	0	0	109.4	G276 E277 M279 Y290 F302 L311 I351 T362 Y364	G276-M332 CarbonylContact C-O 3.54Å; G276-M332 VanDerWaalsContact CA-O 3.28Å; G276-M332 WeakPolarHBondContact CA-O 3.27Å; E277-M332 PolarHBondContact N-O 2.83Å; E277-M332 WeakPolarHBondContact O-CB 3.14Å; E277-M332 PolarHBondContact O-N 2.79Å; M279-M332 HydrophobicContact CB-CB 4.43Å; M279-M332 HydrophobicContact CB-CE 4.01Å; M279-M332 HydrophobicContact CG-CE 3.83Å; Y290-M332 HydrophobicContact CD1-CE 4.44Å; F302-M332 HydrophobicContact CD1-CE 4.08Å; F302-M332 HydrophobicContact CD2-CE 4.36Å; F302-M332 HydrophobicContact CE1-CE 3.94Å; F302-M332 HydrophobicContact CE1-CG 3.9Å; F302-M332 HydrophobicContact CE1-SD 4.26Å; F302-M332 HydrophobicContact CE2-CE 4.22Å; F302-M332 HydrophobicContact CG-CE 4.3Å; F302-M332 HydrophobicContact CZ-CE 4.01Å; F302-M332 HydrophobicContact CZ-CG 4.02Å; L311-M332 HydrophobicContact CD2-CE 3.65Å; L311-M332 HydrophobicContact CD2-SD 3.84Å; M332-I351 HydrophobicContact CB-CG2 4.12Å; M332-I351 HydrophobicContact CG-CG2 3.52Å; M332-I351 VanDerWaalsContact O-CD1 3.29Å; M332-I351 WeakPolarHBondContact O-CD1 3.45Å; M332-T362 HydrophobicContact CG-CG2 3.54Å; M332-T362 HydrophobicContact SD-CG2 3.32Å; M332-T362 WeakPolarHBondContact SD-CG2 3.38Å; M332-Y364 HydrophobicContact CE-CD2 3.75Å; M332-Y364 HydrophobicContact CE-CE2 4.31Å; M332-Y364 HydrophobicContact CE-CG 4.13Å; M332-Y364 HydrophobicContact SD-CD2 3.86Å; M332-Y364 HydrophobicContact SD-CG 4.14Å
333	M	92.1	Very high	91.2	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.039	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.8	-177.2	-58.3	-58.7	-68.7	0	0	110.4	L274 G276 E331 F342 C363 C365	L274-M333 HydrophobicContact CB-CE 4.28Å; L274-M333 HydrophobicContact CB-SD 3.84Å; L274-M333 HydrophobicContact CD1-CG 4.5Å; L274-M333 HydrophobicContact CD2-CE 4.35Å; G276-M333 WeakPolarHBondContact CA-SD 3.34Å; E331-M333 HydrophobicContact CB-SD 4.48Å; E331-M333 HydrophobicContact CG-SD 4.16Å; M333-F342 HydrophobicContact CB-CD1 3.54Å; M333-F342 HydrophobicContact CB-CE1 3.83Å; M333-F342 HydrophobicContact CB-CG 4.27Å; M333-F342 HydrophobicContact CE-CB 3.87Å; M333-F342 HydrophobicContact CE-CD1 4.48Å; M333-F342 HydrophobicContact CE-CG 4.08Å; M333-F342 HydrophobicContact CG-CD1 4.13Å; M333-F342 HydrophobicContact CG-CE1 4.27Å; M333-C363 HydrophobicContact CB-CB 4.45Å; M333-C363 PolarHBondContact N-O 3.39Å; M333-C363 PolarHBondContact O-N 2.86Å; M333-C365 HydrophobicContact CG-CB 4.33Å
334	A	89.5	Confident	90.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.5	162.5	0	0	0	0	0	108.6	F342 M343 F349 I351 M354 L360	A334-F342 WeakPolarHBondContact O-CA 3.28Å; A334-M343 HydrophobicContact CB-CB 4.16Å; A334-M343 PolarHBondContact O-N 2.87Å; A334-F349 HydrophobicContact CB-CD2 3.69Å; A334-F349 HydrophobicContact CB-CE1 4.38Å; A334-F349 HydrophobicContact CB-CE2 3.12Å; A334-F349 HydrophobicContact CB-CZ 3.53Å; A334-I351 HydrophobicContact CB-CD1 4.34Å; A334-I351 HydrophobicContact CB-CG1 4.08Å; A334-M354 HydrophobicContact CB-SD 4.27Å; A334-L360 HydrophobicContact CB-CD1 4.4Å
335	Y	88.8	Confident	88.7	Confident	22 Å²	22	39.6 Å²	39.6	9%	0.086	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.5	-178.4	-178.2	-98.3	0	0	0	109.7	P337 Q340 F342 L360 Q361 G398	Y335-P337 HydrophobicContact CD1-CG 4.37Å; Y335-P337 WeakPolarHBondContact O-CD 3.44Å; Y335-Q340 VanDerWaalsContact OH-CA 3.3Å; Y335-Q340 WeakPolarHBondContact OH-CA 2.9Å; Y335-Q340 WeakPolarHBondContact OH-CB 3.37Å; Y335-F342 AromaticContact CD2-CD1 3.81Å; Y335-F342 HydrophobicContact CD2-CD1 3.81Å; Y335-F342 AromaticContact CD2-CE1 3.63Å; Y335-F342 HydrophobicContact CD2-CE1 3.63Å; Y335-F342 HydrophobicContact CD2-CZ 4.33Å; Y335-F342 HydrophobicContact CE2-CE1 4.49Å; Y335-F342 HydrophobicContact CG-CE1 4.39Å; Y335-L360 WeakPolarHBondContact O-CA 3.25Å; Y335-Q361 HydrophobicContact CD1-CG 3.93Å; Y335-Q361 PolarHBondContact N-O 2.57Å; Y335-Q361 PolarHBondContact O-N 3.2Å; Y335-G398 VanDerWaalsContact CD1-CA 3.46Å
336	N	85.4	Confident	86.6	Confident	24 Å²	24	39.7 Å²	39.7	13%	0.128	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	111.9	173.4	-175.6	-26.5	0	0	0	109.3	N338 T339 Q340 T341 M343 L360	N336-N338 VanDerWaalsContact C-N 3.26Å; N336-N338 PolarHBondContact O-N 3.36Å; N336-N338 WeakPolarHBondContact OD1-CB 3.2Å; N336-N338 PolarHBondContact OD1-N 2.92Å; N336-T339 WeakPolarHBondContact CB-OG1 3.36Å; N336-T339 VanDerWaalsContact CG-OG1 3.25Å; N336-T339 PolarHBondContact ND2-OG1 2.96Å; N336-T339 PolarHBondContact OD1-N 3.26Å; N336-Q340 VanDerWaalsContact O-CA 3.3Å; N336-Q340 WeakPolarHBondContact O-CA 3.32Å; N336-Q340 PolarHBondContact O-N 3.24Å; N336-T341 PolarHBondContact N-O 3.31Å; N336-T341 PolarHBondContact O-N 3.14Å; N336-M343 HydrophobicContact CB-CG 4.18Å; N336-M343 HydrophobicContact CB-SD 3.98Å; N336-L360 HydrophobicContact CB-CD2 3.58Å
337	P	86.9	Confident	84.9	Confident	50 Å²	50	43.8 Å²	43.8	33%	0.325	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-28.6	-179.7	-21.9	34.8	0	0	0	114	Y335 D359 Q361	Y335-P337 HydrophobicContact CD1-CG 4.37Å; Y335-P337 WeakPolarHBondContact O-CD 3.44Å; P337-D359 WeakPolarHBondContact CD-O 3.49Å; P337-Q361 HydrophobicContact CG-CG 4.02Å
338	N	84.1	Confident	83.1	Confident	135 Å²	135	52 Å²	52	72%	0.722	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-39.6	-176.3	-61.3	-39.9	0	0	0	111.8	N336	N336-N338 VanDerWaalsContact C-N 3.26Å; N336-N338 PolarHBondContact O-N 3.36Å; N336-N338 WeakPolarHBondContact OD1-CB 3.2Å; N336-N338 PolarHBondContact OD1-N 2.92Å
339	T	80.7	Confident	81.5	Confident	80 Å²	80	53.9 Å²	53.9	49%	0.491	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-9.1	179.1	56.5	0	0	0	0	113	N336 T341	N336-T339 WeakPolarHBondContact CB-OG1 3.36Å; N336-T339 VanDerWaalsContact CG-OG1 3.25Å; N336-T339 PolarHBondContact ND2-OG1 2.96Å; N336-T339 PolarHBondContact OD1-N 3.26Å; T339-T341 WeakPolarHBondContact CB-OG1 3.4Å; T339-T341 WeakPolarHBondContact O-CG2 3.36Å; T339-T341 PolarHBondContact O-N 3.31Å; T339-T341 PolarHBondContact OG1-OG1 3Å
340	Q	85.1	Confident	80.1	Confident	148 Å²	148	56.9 Å²	56.9	69%	0.692	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	34.9	-174.7	-59.3	-178.9	-6.1	0	0	113.6	Y335 N336	Y335-Q340 VanDerWaalsContact OH-CA 3.3Å; Y335-Q340 WeakPolarHBondContact OH-CA 2.9Å; Y335-Q340 WeakPolarHBondContact OH-CB 3.37Å; N336-Q340 VanDerWaalsContact O-CA 3.3Å; N336-Q340 WeakPolarHBondContact O-CA 3.32Å; N336-Q340 PolarHBondContact O-N 3.24Å
341	T	80.1	Confident	79	Confident	72 Å²	72	57.2 Å²	57.2	44%	0.442	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	153.8	-176.2	53	0	0	0	0	112	N336 T339	N336-T341 PolarHBondContact N-O 3.31Å; N336-T341 PolarHBondContact O-N 3.14Å; T339-T341 WeakPolarHBondContact CB-OG1 3.4Å; T339-T341 WeakPolarHBondContact O-CG2 3.36Å; T339-T341 PolarHBondContact O-N 3.31Å; T339-T341 PolarHBondContact OG1-OG1 3Å
342	F	84.5	Confident	77.6	Confident	65 Å²	65	57.9 Å²	57.9	29%	0.285	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.3	169.4	-64.1	-58.1	0	0	0	110.9	M333 A334 Y335 C363 C365	M333-F342 HydrophobicContact CB-CD1 3.54Å; M333-F342 HydrophobicContact CB-CE1 3.83Å; M333-F342 HydrophobicContact CB-CG 4.27Å; M333-F342 HydrophobicContact CE-CB 3.87Å; M333-F342 HydrophobicContact CE-CD1 4.48Å; M333-F342 HydrophobicContact CE-CG 4.08Å; M333-F342 HydrophobicContact CG-CD1 4.13Å; M333-F342 HydrophobicContact CG-CE1 4.27Å; A334-F342 WeakPolarHBondContact O-CA 3.28Å; Y335-F342 AromaticContact CD2-CD1 3.81Å; Y335-F342 HydrophobicContact CD2-CD1 3.81Å; Y335-F342 AromaticContact CD2-CE1 3.63Å; Y335-F342 HydrophobicContact CD2-CE1 3.63Å; Y335-F342 HydrophobicContact CD2-CZ 4.33Å; Y335-F342 HydrophobicContact CE2-CE1 4.49Å; Y335-F342 HydrophobicContact CG-CE1 4.39Å; F342-C363 HydrophobicContact CE1-CB 3.86Å; F342-C365 VanDerWaalsContact CZ-SG 3.54Å
343	M	79.6	Confident	76.4	Confident	41 Å²	41	67 Å²	67	20%	0.202	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	136.6	173.5	-57.5	-60.6	-72.1	0	0	109.5	A334 N336 I347 F349 L360	A334-M343 HydrophobicContact CB-CB 4.16Å; A334-M343 PolarHBondContact O-N 2.87Å; N336-M343 HydrophobicContact CB-CG 4.18Å; N336-M343 HydrophobicContact CB-SD 3.98Å; M343-I347 HydrophobicContact CE-CD1 3.67Å; M343-I347 HydrophobicContact CE-CG2 4.48Å; M343-F349 HydrophobicContact CB-CD1 4.44Å; M343-F349 HydrophobicContact CB-CE1 3.43Å; M343-F349 VanDerWaalsContact CB-CE1 3.43Å; M343-F349 HydrophobicContact CB-CZ 3.55Å; M343-F349 HydrophobicContact CG-CE1 4.47Å; M343-L360 HydrophobicContact CG-CD1 3.97Å; M343-L360 HydrophobicContact CG-CD2 3.58Å; M343-L360 HydrophobicContact CG-CG 4.43Å; M343-L360 HydrophobicContact SD-CD2 4.31Å
344	Q	72.7	Confident	75.3	Confident	55 Å²	55	67.5 Å²	67.5	26%	0.257	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-81.8	145.7	179.1	-56.9	-173.2	5.4	0	0	110.9	G346 I347 F349 R425 E563	Q344-G346 PolarHBondContact O-N 2.99Å; Q344-I347 PolarHBondContact O-N 3.47Å; Q344-I347 VanDerWaalsContact O-N 3.1Å; Q344-F349 WeakPolarHBondContact O-CE1 3.36Å; Q344-R425 PolarHBondContact NE2-O 2.93Å; Q344-E563 PolarHBondContact OE1-OE2 3.43Å
345	K	68	Low	74	Confident	87 Å²	87	72.5 Å²	72.5	38%	0.378	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.3	-176.9	-171.2	172.8	-171	164.3	0	114.7	E277 I347	E277-K345 WeakPolarHBondContact OE1-CE 3.43Å; E277-K345 IonicContact OE1-NZ 3.88Å; E277-K345 PolarHBondContact OE1-NZ 3.4Å; K345-I347 PolarHBondContact O-N 2.94Å
346	G	55.7	Low	72.5	Confident	21 Å²	21	79.8 Å²	79.8	22%	0.216	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.7	175.1	0	0	0	0	0	114.7	Q344	Q344-G346 PolarHBondContact O-N 2.99Å
347	I	62.1	Low	71	Confident	85 Å²	85	86.4 Å²	86.4	44%	0.436	43%	0.431	S	S	.	.	S	Bend	trans	-90.9	151.5	178.3	-58.4	169.5	0	0	0	109.2	M343 Q344 K345 F349	M343-I347 HydrophobicContact CE-CD1 3.67Å; M343-I347 HydrophobicContact CE-CG2 4.48Å; Q344-I347 PolarHBondContact O-N 3.47Å; Q344-I347 VanDerWaalsContact O-N 3.1Å; K345-I347 PolarHBondContact O-N 2.94Å; I347-F349 VanDerWaalsContact C-N 3.25Å; I347-F349 HydrophobicContact CB-CD1 4.09Å; I347-F349 HydrophobicContact CB-CE1 3.9Å; I347-F349 HydrophobicContact CG2-CD1 4.13Å; I347-F349 HydrophobicContact CG2-CE1 4.34Å; I347-F349 PolarHBondContact O-N 3.42Å
348	K	61.1	Low	70	Confident	173 Å²	173	86.3 Å²	86.3	75%	0.752	43%	0.432	S	S	*	.	S	Bend	trans	-67.4	66.6	-172.5	-64.5	-175.6	179.2	-175.3	0	114
349	F	64.8	Low	69.9	Low	39 Å²	39	86.2 Å²	86.2	17%	0.171	43%	0.432	C	S	.	.			trans	-143.3	151.7	167.4	66.5	-90.6	0	0	0	110.7	A334 M343 Q344 I347 I351 L360	A334-F349 HydrophobicContact CB-CD2 3.69Å; A334-F349 HydrophobicContact CB-CE1 4.38Å; A334-F349 HydrophobicContact CB-CE2 3.12Å; A334-F349 HydrophobicContact CB-CZ 3.53Å; M343-F349 HydrophobicContact CB-CD1 4.44Å; M343-F349 HydrophobicContact CB-CE1 3.43Å; M343-F349 VanDerWaalsContact CB-CE1 3.43Å; M343-F349 HydrophobicContact CB-CZ 3.55Å; M343-F349 HydrophobicContact CG-CE1 4.47Å; Q344-F349 WeakPolarHBondContact O-CE1 3.36Å; I347-F349 VanDerWaalsContact C-N 3.25Å; I347-F349 HydrophobicContact CB-CD1 4.09Å; I347-F349 HydrophobicContact CB-CE1 3.9Å; I347-F349 HydrophobicContact CG2-CD1 4.13Å; I347-F349 HydrophobicContact CG2-CE1 4.34Å; I347-F349 PolarHBondContact O-N 3.42Å; F349-I351 HydrophobicContact CD2-CG1 3.95Å; F349-I351 HydrophobicContact CE2-CD1 4.07Å; F349-I351 HydrophobicContact CE2-CG1 3.64Å; F349-L360 HydrophobicContact CB-CD1 4.49Å; F349-L360 HydrophobicContact CD1-CD1 4.01Å; F349-L360 HydrophobicContact CE1-CD1 4.48Å; F349-L360 HydrophobicContact CG-CD1 4.13Å
350	D	69.9	Low	70.1	Confident	64 Å²	64	83.7 Å²	83.7	34%	0.342	42%	0.415	S	S	.	.			trans	-121.1	109.2	174.2	-179.7	-1.7	0	0	0	108	K352 R353 M354	D350-K352 PolarHBondContact O-N 3.15Å; D350-K352 VanDerWaalsContact O-N 3.09Å; D350-K352 WeakPolarHBondContact OD1-CB 3.22Å; D350-K352 PolarHBondContact OD1-N 3.18Å; D350-K352 VanDerWaalsContact OD1-N 3.07Å; D350-R353 HydrophobicContact CB-CB 4.25Å; D350-R353 CarbonylContact O-C 3.48Å; D350-R353 PolarHBondContact O-N 3.42Å; D350-R353 WeakPolarHBondContact OD2-CD 3.44Å; D350-R353 IonicContact OD2-NE 3.47Å; D350-M354 WeakPolarHBondContact O-CG 3.46Å; D350-M354 PolarHBondContact O-N 3Å; D350-M354 VanDerWaalsContact O-N 3.14Å
351	I	74.6	Confident	70.3	Confident	7 Å²	7	78.4 Å²	78.4	4%	0.036	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-54.4	-32.3	-177.5	-62.1	170.1	0	0	0	111.2	F302 M332 A334 F349 R353 M354 T362	F302-I351 HydrophobicContact CE1-CG2 4.37Å; M332-I351 HydrophobicContact CB-CG2 4.12Å; M332-I351 HydrophobicContact CG-CG2 3.52Å; M332-I351 VanDerWaalsContact O-CD1 3.29Å; M332-I351 WeakPolarHBondContact O-CD1 3.45Å; A334-I351 HydrophobicContact CB-CD1 4.34Å; A334-I351 HydrophobicContact CB-CG1 4.08Å; F349-I351 HydrophobicContact CD2-CG1 3.95Å; F349-I351 HydrophobicContact CE2-CD1 4.07Å; F349-I351 HydrophobicContact CE2-CG1 3.64Å; I351-R353 PolarHBondContact O-N 2.99Å; I351-M354 HydrophobicContact CB-SD 4.46Å; I351-M354 HydrophobicContact CG1-SD 4.38Å; I351-T362 HydrophobicContact CG2-CG2 4.35Å
352	K	68.3	Low	70.9	Confident	40 Å²	40	75.1 Å²	75.1	17%	0.174	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-77.6	-3.8	179.7	-71.3	167	160.3	153.7	0	114.5	E277 Y298 Q301 D350	E277-K352 WeakPolarHBondContact OE2-CD 3.49Å; E277-K352 WeakPolarHBondContact OE2-CE 3.24Å; E277-K352 WeakPolarHBondContact OE2-CG 3.42Å; E277-K352 IonicContact OE2-NZ 3.82Å; E277-K352 PolarHBondContact OE2-NZ 2.67Å; Y298-K352 HydrophobicContact CD1-CB 4.03Å; Y298-K352 HydrophobicContact CD1-CD 4.11Å; Y298-K352 HydrophobicContact CD1-CG 3.83Å; Y298-K352 HydrophobicContact CE1-CB 3.69Å; Y298-K352 HydrophobicContact CE1-CD 3.4Å; Y298-K352 VanDerWaalsContact CE1-CD 3.4Å; Y298-K352 HydrophobicContact CE1-CG 3.59Å; Y298-K352 HydrophobicContact CE2-CD 4.15Å; Y298-K352 VanDerWaalsContact CE2-CE 3.46Å; Y298-K352 VanDerWaalsContact CZ-CD 3.43Å; Y298-K352 WeakPolarHBondContact OH-CD 3.35Å; Y298-K352 WeakPolarHBondContact OH-CE 3.5Å; Q301-K352 WeakPolarHBondContact CG-O 3.37Å; Q301-K352 PolarHBondContact OE1-O 2.81Å; Q301-K352 VanDerWaalsContact OE1-O 3.12Å; D350-K352 PolarHBondContact O-N 3.15Å; D350-K352 VanDerWaalsContact O-N 3.09Å; D350-K352 WeakPolarHBondContact OD1-CB 3.22Å; D350-K352 PolarHBondContact OD1-N 3.18Å; D350-K352 VanDerWaalsContact OD1-N 3.07Å
353	R	69.6	Low	71.4	Confident	190 Å²	190	72 Å²	72	72%	0.717	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-137.3	19.4	-177.9	-61.6	-177.5	173	178.9	-1.1	111.7	D350 I351 V355	D350-R353 HydrophobicContact CB-CB 4.25Å; D350-R353 CarbonylContact O-C 3.48Å; D350-R353 PolarHBondContact O-N 3.42Å; D350-R353 WeakPolarHBondContact OD2-CD 3.44Å; D350-R353 IonicContact OD2-NE 3.47Å; I351-R353 PolarHBondContact O-N 2.99Å; R353-V355 PolarHBondContact O-N 3.24Å
354	M	69.5	Low	72.3	Confident	20 Å²	20	70 Å²	70	10%	0.099	35%	0.347	C	S	.	.			trans	-64.1	131.4	176.9	-73.7	-178.9	67.3	0	0	109	Q301 A334 D350 I351 L360	Q301-M354 PolarHBondContact NE2-O 3.18Å; A334-M354 HydrophobicContact CB-SD 4.27Å; D350-M354 WeakPolarHBondContact O-CG 3.46Å; D350-M354 PolarHBondContact O-N 3Å; D350-M354 VanDerWaalsContact O-N 3.14Å; I351-M354 HydrophobicContact CB-SD 4.46Å; I351-M354 HydrophobicContact CG1-SD 4.38Å; M354-L360 VanDerWaalsContact CE-C 3.42Å; M354-L360 HydrophobicContact CE-CB 3.47Å; M354-L360 VanDerWaalsContact CE-CB 3.47Å; M354-L360 WeakPolarHBondContact CE-O 3.27Å
355	V	62.5	Low	73.6	Confident	104 Å²	104	67.6 Å²	67.6	63%	0.63	34%	0.335	S	S	*	.			trans	-94.7	153.2	176.7	-174.1	0	0	0	0	108	R353 D357 S358	R353-V355 PolarHBondContact O-N 3.24Å; V355-D357 PolarHBondContact O-N 2.99Å; V355-S358 WeakPolarHBondContact O-CB 3.46Å; V355-S358 PolarHBondContact O-N 3.41Å
356	E	56.8	Low	75	Confident	176 Å²	176	63.4 Å²	63.4	82%	0.822	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.1	-177.8	-67.8	174.7	168.6	0	0	113.6	S358	E356-S358 PolarHBondContact O-N 2.91Å
357	D	55.3	Low	77.1	Confident	162 Å²	162	63 Å²	63	87%	0.866	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	22	179	-67	-29.2	0	0	0	114.6	V355	V355-D357 PolarHBondContact O-N 2.99Å
358	S	65.9	Low	78.8	Confident	49 Å²	49	59 Å²	59	34%	0.343	29%	0.289	S	S	.	.			trans	-88.1	138.8	178.2	-167.8	0	0	0	0	111.6	V355 E356 L360	V355-S358 WeakPolarHBondContact O-CB 3.46Å; V355-S358 PolarHBondContact O-N 3.41Å; E356-S358 PolarHBondContact O-N 2.91Å; S358-L360 PolarHBondContact O-N 3.22Å; S358-L360 PolarHBondContact OG-N 3.41Å
359	D	80.8	Confident	80.6	Confident	133 Å²	133	50.7 Å²	50.7	71%	0.711	25%	0.253	S	S	*	.	S	Bend	trans	-60.8	-7	167.8	-62	-39.5	0	0	0	113.5	P337	P337-D359 WeakPolarHBondContact CD-O 3.49Å
360	L	85.3	Confident	82.2	Confident	27 Å²	27	49 Å²	49	14%	0.141	25%	0.245	C	C	.	.	S	Bend	trans	-112.2	147.2	180	-57.4	179.6	0	0	0	109.6	A334 Y335 N336 M343 F349 M354 S358	A334-L360 HydrophobicContact CB-CD1 4.4Å; Y335-L360 WeakPolarHBondContact O-CA 3.25Å; N336-L360 HydrophobicContact CB-CD2 3.58Å; M343-L360 HydrophobicContact CG-CD1 3.97Å; M343-L360 HydrophobicContact CG-CD2 3.58Å; M343-L360 HydrophobicContact CG-CG 4.43Å; M343-L360 HydrophobicContact SD-CD2 4.31Å; F349-L360 HydrophobicContact CB-CD1 4.49Å; F349-L360 HydrophobicContact CD1-CD1 4.01Å; F349-L360 HydrophobicContact CE1-CD1 4.48Å; F349-L360 HydrophobicContact CG-CD1 4.13Å; M354-L360 VanDerWaalsContact CE-C 3.42Å; M354-L360 HydrophobicContact CE-CB 3.47Å; M354-L360 VanDerWaalsContact CE-CB 3.47Å; M354-L360 WeakPolarHBondContact CE-O 3.27Å; S358-L360 PolarHBondContact O-N 3.22Å; S358-L360 PolarHBondContact OG-N 3.41Å
361	Q	89.9	Confident	83.6	Confident	36 Å²	36	46.5 Å²	46.5	17%	0.168	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	155.3	174.9	64.8	-175	39.2	0	0	111.7	Y335 P337 G398 R399	Y335-Q361 HydrophobicContact CD1-CG 3.93Å; Y335-Q361 PolarHBondContact N-O 2.57Å; Y335-Q361 PolarHBondContact O-N 3.2Å; P337-Q361 HydrophobicContact CG-CG 4.02Å; Q361-G398 PolarHBondContact NE2-O 3.48Å; Q361-R399 VanDerWaalsContact OE1-NH2 3.1Å
362	T	92.8	Very high	84.7	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	127.2	174.5	-53.1	0	0	0	0	110.1	F302 S310 L311 M332 I351	F302-T362 HydrophobicContact CD1-CG2 4.18Å; F302-T362 HydrophobicContact CE1-CG2 3.93Å; S310-T362 PolarHBondContact OG-OG1 3.44Å; L311-T362 HydrophobicContact CB-CG2 4.32Å; L311-T362 HydrophobicContact CD1-CG2 4.24Å; M332-T362 HydrophobicContact CG-CG2 3.54Å; M332-T362 HydrophobicContact SD-CG2 3.32Å; M332-T362 WeakPolarHBondContact SD-CG2 3.38Å; I351-T362 HydrophobicContact CG2-CG2 4.35Å
363	C	95.4	Very high	85.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.9	171.3	-175.1	0	0	0	0	110.2	M333 F342 G398 R399	M333-C363 HydrophobicContact CB-CB 4.45Å; M333-C363 PolarHBondContact N-O 3.39Å; M333-C363 PolarHBondContact O-N 2.86Å; F342-C363 HydrophobicContact CE1-CB 3.86Å; C363-G398 WeakPolarHBondContact CB-O 3.17Å; C363-R399 CarbonylContact C-O 3.58Å; C363-R399 WeakPolarHBondContact CA-O 3.41Å; C363-R399 PolarHBondContact SG-N 3.04Å
364	Y	98.3	Very high	86.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.1	176.7	-171.8	-141.8	0	0	0	111.2	M279 M281 L311 L328 G330 M332 V366 R399 I400 E401	M279-Y364 HydrophobicContact CB-CE2 4.09Å; M279-Y364 WeakPolarHBondContact O-CE2 3.41Å; M279-Y364 PolarHBondContact O-OH 3.23Å; M281-Y364 HydrophobicContact CB-CE1 3.83Å; M281-Y364 HydrophobicContact SD-CE1 4.41Å; L311-Y364 HydrophobicContact CD2-CG 4.4Å; L328-Y364 HydrophobicContact CB-CE1 4.08Å; L328-Y364 HydrophobicContact CD1-CE1 4.32Å; L328-Y364 PolarHBondContact O-OH 2.68Å; G330-Y364 VanDerWaalsContact CA-CE2 3.46Å; G330-Y364 PolarHBondContact N-OH 3.1Å; M332-Y364 HydrophobicContact CE-CD2 3.75Å; M332-Y364 HydrophobicContact CE-CE2 4.31Å; M332-Y364 HydrophobicContact CE-CG 4.13Å; M332-Y364 HydrophobicContact SD-CD2 3.86Å; M332-Y364 HydrophobicContact SD-CG 4.14Å; Y364-V366 HydrophobicContact CD1-CG2 3.61Å; Y364-V366 HydrophobicContact CE1-CG2 3.66Å; Y364-V366 HydrophobicContact CG-CG2 4.18Å; Y364-R399 PolarHBondContact N-O 3.09Å; Y364-I400 HydrophobicContact CD1-CD1 4.33Å; Y364-I400 HydrophobicContact CD1-CG1 4.4Å; Y364-I400 WeakPolarHBondContact O-CA 3.47Å; Y364-E401 PolarHBondContact O-N 2.83Å
365	C	98.4	Very high	88.2	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.02	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	102.5	180	-59.9	0	0	0	0	110	L274 G330 E331 M333 F342 E401 V403	L274-C365 HydrophobicContact CD1-CB 3.31Å; G330-C365 CarbonylContact C-O 3.57Å; G330-C365 WeakPolarHBondContact CA-O 3.29Å; E331-C365 PolarHBondContact N-O 3.14Å; E331-C365 PolarHBondContact O-N 3.19Å; M333-C365 HydrophobicContact CG-CB 4.33Å; F342-C365 VanDerWaalsContact CZ-SG 3.54Å; C365-E401 CarbonylContact C-O 3.51Å; C365-E401 WeakPolarHBondContact CA-O 3.22Å; C365-V403 HydrophobicContact CB-CG2 3.99Å
366	V	98.8	Very high	89.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.3	-172.2	-169.7	0	0	0	0	110.7	L328 Y364 L389 F393 I400 E401 I402 V403	L328-V366 HydrophobicContact CB-CG1 3.96Å; L328-V366 HydrophobicContact CD1-CG1 4.12Å; L328-V366 HydrophobicContact CD1-CG2 4.04Å; L328-V366 HydrophobicContact CD2-CG1 4.22Å; L328-V366 HydrophobicContact CG-CG1 4.33Å; Y364-V366 HydrophobicContact CD1-CG2 3.61Å; Y364-V366 HydrophobicContact CE1-CG2 3.66Å; Y364-V366 HydrophobicContact CG-CG2 4.18Å; V366-L389 HydrophobicContact CB-CD1 4.44Å; V366-L389 HydrophobicContact CG1-CD1 3.64Å; V366-L389 HydrophobicContact CG1-CD2 4.2Å; V366-F393 HydrophobicContact CB-CE1 4.41Å; V366-F393 HydrophobicContact CB-CZ 4.25Å; V366-F393 HydrophobicContact CG2-CE1 4.25Å; V366-F393 HydrophobicContact CG2-CZ 4.04Å; V366-I400 HydrophobicContact CG2-CD1 4.23Å; V366-I400 HydrophobicContact CG2-CG1 4.01Å; V366-E401 PolarHBondContact N-O 3.27Å; V366-I402 WeakPolarHBondContact O-CA 3.37Å; V366-V403 PolarHBondContact O-N 3.12Å
367	F	98.5	Very high	91.8	Very high	11 Å²	11	40 Å²	40	5%	0.048	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	-3.4	176.9	55.2	-107.6	0	0	0	113.7	R278 D329 E331 Y386 V403 W447	R278-F367 VanDerWaalsContact NE-CZ 3.28Å; D329-F367 VanDerWaalsContact C-CZ 3.46Å; D329-F367 HydrophobicContact CB-CE2 3.95Å; D329-F367 HydrophobicContact CB-CZ 4.33Å; D329-F367 WeakPolarHBondContact O-CE2 3.34Å; D329-F367 PolarHBondContact O-N 2.86Å; D329-F367 WeakPolarHBondContact OD2-CE2 3.31Å; E331-F367 HydrophobicContact CB-CE1 4.33Å; F367-Y386 WeakPolarHBondContact O-CE1 3.11Å; F367-Y386 VanDerWaalsContact O-CZ 3.28Å; F367-Y386 PolarHBondContact O-OH 3.14Å; F367-V403 HydrophobicContact CB-CB 4Å; F367-V403 HydrophobicContact CB-CG2 3.9Å; F367-V403 HydrophobicContact CD1-CG2 4.25Å; F367-W447 HydrophobicContact CD2-CH2 4.23Å; F367-W447 HydrophobicContact CE2-CH2 4.1Å
368	D	98.7	Very high	93.8	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	161.5	174	-143.7	-36.9	0	0	0	112.3	D329 R385 W447	D329-D368 HydrophobicContact CB-CB 4.24Å; D329-D368 PolarHBondContact N-O 2.85Å; D329-D368 PolarHBondContact O-N 3.38Å; D329-D368 VanDerWaalsContact O-N 3.1Å; D368-R385 WeakPolarHBondContact OD1-CD 3.33Å; D368-R385 IonicContact OD1-CZ 2.82Å; D368-R385 IonicContact OD1-NE 3.23Å; D368-R385 PolarHBondContact OD1-NE 3.32Å; D368-R385 IonicContact OD1-NH2 2.85Å; D368-R385 IonicContact OD2-CZ 3.04Å; D368-R385 IonicContact OD2-NE 3.35Å; D368-R385 PolarHBondContact OD2-NE 3.47Å; D368-R385 IonicContact OD2-NH2 2.61Å; D368-R385 PolarHBondContact OD2-NH2 2.78Å; D368-W447 WeakPolarHBondContact OD2-CZ2 3.5Å
369	V	98.7	Very high	95.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	132.9	176.3	56.9	0	0	0	0	110.4	I327 L328 V372 L377 R385 I388 L389 I392	I327-V369 WeakPolarHBondContact O-CA 3.43Å; I327-V369 WeakPolarHBondContact O-CG2 3.17Å; L328-V369 HydrophobicContact CD2-CB 4.03Å; L328-V369 HydrophobicContact CD2-CG2 3.96Å; V369-V372 HydrophobicContact CG2-CG2 3.72Å; V369-L377 HydrophobicContact CB-CD1 4.41Å; V369-L377 HydrophobicContact CG1-CD1 3.84Å; V369-L377 HydrophobicContact CG2-CD1 3.88Å; V369-R385 HydrophobicContact CG1-CB 4.21Å; V369-R385 VanDerWaalsContact CG1-O 3.25Å; V369-R385 WeakPolarHBondContact CG1-O 2.95Å; V369-R385 WeakPolarHBondContact O-CD 3.38Å; V369-I388 HydrophobicContact CG1-CB 4.46Å; V369-I388 HydrophobicContact CG1-CG2 4.36Å; V369-L389 HydrophobicContact CB-CD1 4.36Å; V369-L389 HydrophobicContact CG1-CB 3.97Å; V369-I392 HydrophobicContact CB-CD1 3.97Å; V369-I392 HydrophobicContact CG1-CD1 4.2Å; V369-I392 HydrophobicContact CG2-CD1 3.47Å; V369-I392 VanDerWaalsContact CG2-CD1 3.47Å
370	L	98.6	Very high	96	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-17.8	-171.7	-65.5	-52.4	0	0	0	113.4	I240 F246 I327 D329 L377 Y438	I240-L370 HydrophobicContact CD1-CB 4.11Å; I240-L370 HydrophobicContact CD1-CD1 3.97Å; I240-L370 HydrophobicContact CD1-CG 3.85Å; I240-L370 HydrophobicContact CG2-CB 4.43Å; F246-L370 HydrophobicContact CZ-CD2 3.96Å; F246-L370 HydrophobicContact CZ-CG 4.02Å; I327-L370 HydrophobicContact CB-CB 4.19Å; I327-L370 HydrophobicContact CG2-CB 3.98Å; I327-L370 PolarHBondContact O-N 2.85Å; D329-L370 HydrophobicContact CB-CD2 3.76Å; L370-L377 PolarHBondContact O-N 2.67Å; L370-Y438 HydrophobicContact CD1-CD1 3.65Å; L370-Y438 HydrophobicContact CD1-CD2 3.64Å; L370-Y438 HydrophobicContact CD1-CE1 4.08Å; L370-Y438 HydrophobicContact CD1-CE2 4.07Å; L370-Y438 HydrophobicContact CD1-CG 3.41Å; L370-Y438 VanDerWaalsContact CD1-CG 3.41Å
371	M	98.6	Very high	96.7	Very high	13 Å²	13	34.8 Å²	34.8	6%	0.064	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	141.6	177.5	-176.4	176.5	-74.9	0	0	110.7	L242 I325 C326 I327 K375 K376	L242-M371 HydrophobicContact CB-SD 4.33Å; I325-M371 HydrophobicContact CG2-CG 4.3Å; I325-M371 HydrophobicContact CG2-SD 3.96Å; C326-M371 CarbonylContact C-O 3.6Å; C326-M371 VanDerWaalsContact CA-O 3.24Å; C326-M371 WeakPolarHBondContact CA-O 3.39Å; I327-M371 HydrophobicContact CB-CB 4Å; I327-M371 HydrophobicContact CD1-CB 3.76Å; I327-M371 HydrophobicContact CD1-CE 4.21Å; I327-M371 HydrophobicContact CD1-CG 4.47Å; I327-M371 HydrophobicContact CD1-SD 3.93Å; I327-M371 HydrophobicContact CG1-CB 3.83Å; I327-M371 HydrophobicContact CG1-SD 4.43Å; I327-M371 PolarHBondContact N-O 2.88Å; M371-K375 VanDerWaalsContact CA-O 3.3Å; M371-K375 WeakPolarHBondContact CA-O 3.43Å; M371-K376 HydrophobicContact CE-CG 3.98Å
372	V	98.3	Very high	97.1	Very high	21 Å²	21	33.1 Å²	33.1	13%	0.127	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	125	169.1	179.2	0	0	0	0	108.9	I323 I325 V369 N374 K375 L377 I388 I392	I323-V372 HydrophobicContact CD1-CG1 3.8Å; I325-V372 CarbonylContact O-C 3.48Å; I325-V372 WeakPolarHBondContact O-CA 3.3Å; V369-V372 HydrophobicContact CG2-CG2 3.72Å; V372-N374 VanDerWaalsContact C-N 3.34Å; V372-N374 PolarHBondContact O-N 3.09Å; V372-K375 PolarHBondContact N-O 2.8Å; V372-K375 VanDerWaalsContact N-O 3.09Å; V372-K375 WeakPolarHBondContact O-CA 3.42Å; V372-K375 WeakPolarHBondContact O-CB 3.47Å; V372-K375 PolarHBondContact O-N 3.07Å; V372-L377 HydrophobicContact CG2-CD1 4.12Å; V372-I388 HydrophobicContact CG2-CG2 3.86Å; V372-I392 HydrophobicContact CG2-CD1 3.51Å; V372-I392 HydrophobicContact CG2-CG1 3.95Å
373	N	93.7	Very high	97.4	Very high	62 Å²	62	37.6 Å²	37.6	33%	0.332	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.2	56.3	174.9	-65.5	-21.9	0	0	0	113.7	D322 Q324 I325 K375	D322-N373 PolarHBondContact O-ND2 3.09Å; Q324-N373 PolarHBondContact N-OD1 2.85Å; I325-N373 PolarHBondContact N-OD1 3.28Å; I325-N373 VanDerWaalsContact N-OD1 3.09Å; I325-N373 PolarHBondContact O-N 3.02Å; N373-K375 PolarHBondContact O-N 3.32Å
374	N	91.4	Very high	97.5	Very high	128 Å²	128	41.4 Å²	41.4	68%	0.684	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	-8.1	-177.4	-52.8	-41.7	0	0	0	116.9	I325 V372 K376	I325-N374 WeakPolarHBondContact CD1-OD1 3.4Å; V372-N374 VanDerWaalsContact C-N 3.34Å; V372-N374 PolarHBondContact O-N 3.09Å; N374-K376 PolarHBondContact O-N 3.27Å
375	K	96.4	Very high	97.5	Very high	102 Å²	102	41.4 Å²	41.4	44%	0.443	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	114.8	171.3	-169	178.7	177	-173.2	0	110.2	M371 V372 N373 L377 E380	M371-K375 VanDerWaalsContact CA-O 3.3Å; M371-K375 WeakPolarHBondContact CA-O 3.43Å; V372-K375 PolarHBondContact N-O 2.8Å; V372-K375 VanDerWaalsContact N-O 3.09Å; V372-K375 WeakPolarHBondContact O-CA 3.42Å; V372-K375 WeakPolarHBondContact O-CB 3.47Å; V372-K375 PolarHBondContact O-N 3.07Å; N373-K375 PolarHBondContact O-N 3.32Å; K375-L377 HydrophobicContact CD-CD2 3.91Å; K375-L377 HydrophobicContact CG-CD2 3.93Å; K375-E380 WeakPolarHBondContact CE-OE1 3.4Å; K375-E380 IonicContact NZ-OE1 2.76Å; K375-E380 PolarHBondContact NZ-OE1 2.96Å
376	K	96.9	Very high	97.5	Very high	86 Å²	86	41.5 Å²	41.5	37%	0.374	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	132.6	171.4	-61.8	-179.9	-173.6	178.3	0	109.7	D237 S239 M371 N374	D237-K376 IonicContact OD1-NZ 2.64Å; D237-K376 IonicContact OD2-NZ 2.81Å; D237-K376 PolarHBondContact OD2-NZ 2.9Å; S239-K376 WeakPolarHBondContact OG-CD 3.42Å; S239-K376 WeakPolarHBondContact OG-CE 3.34Å; S239-K376 PolarHBondContact OG-NZ 2.63Å; M371-K376 HydrophobicContact CE-CG 3.98Å; N374-K376 PolarHBondContact O-N 3.27Å
377	L	97.9	Very high	97.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.222	C	C	.	.			trans	-114.4	-1.9	-175	-55.9	177.6	0	0	0	113.6	V369 L370 V372 K375 H379 E380 R385 I388	V369-L377 HydrophobicContact CB-CD1 4.41Å; V369-L377 HydrophobicContact CG1-CD1 3.84Å; V369-L377 HydrophobicContact CG2-CD1 3.88Å; L370-L377 PolarHBondContact O-N 2.67Å; V372-L377 HydrophobicContact CG2-CD1 4.12Å; K375-L377 HydrophobicContact CD-CD2 3.91Å; K375-L377 HydrophobicContact CG-CD2 3.93Å; L377-H379 PolarHBondContact O-N 2.74Å; L377-H379 VanDerWaalsContact O-N 3.12Å; L377-E380 HydrophobicContact CB-CG 4.41Å; L377-E380 HydrophobicContact CD2-CG 3.99Å; L377-E380 WeakPolarHBondContact O-CB 3.44Å; L377-E380 PolarHBondContact O-N 3.1Å; L377-R385 HydrophobicContact CB-CG 4.27Å; L377-R385 VanDerWaalsContact O-CD 3.24Å; L377-R385 WeakPolarHBondContact O-CD 3.5Å; L377-I388 HydrophobicContact CD1-CD1 4.02Å; L377-I388 HydrophobicContact CD1-CG2 4.05Å; L377-I388 HydrophobicContact CD2-CD1 3.67Å
378	G	95.8	Very high	97.5	Very high	15 Å²	15	47 Å²	47	16%	0.155	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.6	-175.8	0	0	0	0	0	114.7	Y438	G378-Y438 PolarHBondContact O-N 3.01Å
379	H	96.6	Very high	97.4	Very high	139 Å²	139	46.9 Å²	46.9	64%	0.644	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-2.9	177.8	-63.9	-65.2	0	0	0	114.4	L377 I437	L377-H379 PolarHBondContact O-N 2.74Å; L377-H379 VanDerWaalsContact O-N 3.12Å; H379-I437 WeakPolarHBondContact O-CG2 3.32Å
380	E	98.3	Very high	97.3	Very high	61 Å²	61	50 Å²	50	29%	0.285	25%	0.248	S	C	.	.	S	Bend	trans	-75.8	153.2	173.5	-64.1	-79.3	-163.2	0	0	109.8	K375 L377 K384 R385	K375-E380 WeakPolarHBondContact CE-OE1 3.4Å; K375-E380 IonicContact NZ-OE1 2.76Å; K375-E380 PolarHBondContact NZ-OE1 2.96Å; L377-E380 HydrophobicContact CB-CG 4.41Å; L377-E380 HydrophobicContact CD2-CG 3.99Å; L377-E380 WeakPolarHBondContact O-CB 3.44Å; L377-E380 PolarHBondContact O-N 3.1Å; E380-K384 HydrophobicContact CB-CB 4.45Å; E380-R385 HydrophobicContact CB-CG 4.1Å; E380-R385 PolarHBondContact O-NH1 3.36Å
381	T	98.5	Very high	97.2	Very high	48 Å²	48	53.3 Å²	53.3	29%	0.294	27%	0.271	S	S	.	.			trans	-65.6	148.9	177	63.2	0	0	0	0	111.4	R383 K384 R385 L435	T381-R383 PolarHBondContact O-N 3.08Å; T381-K384 WeakPolarHBondContact O-CA 2.72Å; T381-K384 WeakPolarHBondContact O-CB 3.43Å; T381-K384 PolarHBondContact O-N 3.5Å; T381-K384 PolarHBondContact OG1-N 2.81Å; T381-R385 WeakPolarHBondContact O-CG 3.44Å; T381-R385 PolarHBondContact O-N 3.28Å; T381-L435 HydrophobicContact CG2-CD2 4.39Å
382	L	98.6	Very high	97.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-55	-38.7	177.4	176.6	65.4	0	0	0	112.1	Y269 K384 R385 Y386 K432 P434 S436	Y269-L382 HydrophobicContact CD2-CD2 4.15Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 3.23Å; L382-R385 VanDerWaalsContact CD1-NH2 3.32Å; L382-R385 PolarHBondContact O-N 3.23Å; L382-Y386 HydrophobicContact CD1-CD2 3.86Å; L382-Y386 HydrophobicContact CD1-CE2 3.41Å; L382-Y386 VanDerWaalsContact CD1-CE2 3.41Å; L382-Y386 HydrophobicContact CD2-CE2 3.9Å; L382-Y386 HydrophobicContact CG-CD2 3.78Å; L382-Y386 HydrophobicContact CG-CE2 3.52Å; L382-Y386 WeakPolarHBondContact O-CD2 3.48Å; L382-Y386 PolarHBondContact O-N 2.98Å; L382-K432 HydrophobicContact CD2-CB 3.48Å; L382-K432 VanDerWaalsContact CD2-CB 3.48Å; L382-K432 HydrophobicContact CD2-CD 3.79Å; L382-K432 HydrophobicContact CD2-CG 4.3Å; L382-P434 PolarHBondContact N-O 3.01Å; L382-P434 VanDerWaalsContact N-O 3.13Å; L382-S436 PolarHBondContact N-O 2.73Å
383	R	98.4	Very high	97.1	Very high	97 Å²	97	51.8 Å²	51.8	37%	0.366	26%	0.262	S	S	.	.	H	α-helix	trans	-53.3	-50.6	171.7	-178.9	-178.7	-63.3	168.8	0.1	111.1	T381 R385 Y386 E387 P434	T381-R383 PolarHBondContact O-N 3.08Å; R383-R385 PolarHBondContact O-N 3.21Å; R383-Y386 PolarHBondContact O-N 3.49Å; R383-E387 PolarHBondContact O-N 2.89Å; R383-P434 HydrophobicContact CB-CB 4.29Å; R383-P434 PolarHBondContact N-O 2.64Å
384	K	98.4	Very high	97.3	Very high	80 Å²	80	52.2 Å²	52.2	35%	0.348	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-39	-179.7	-169.3	57.1	177	178.6	0	112.3	E380 T381 L382 Y386 E387 I388	E380-K384 HydrophobicContact CB-CB 4.45Å; T381-K384 WeakPolarHBondContact O-CA 2.72Å; T381-K384 WeakPolarHBondContact O-CB 3.43Å; T381-K384 PolarHBondContact O-N 3.5Å; T381-K384 PolarHBondContact OG1-N 2.81Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 3.23Å; K384-Y386 VanDerWaalsContact C-N 3.33Å; K384-Y386 PolarHBondContact O-N 3.39Å; K384-E387 WeakPolarHBondContact CD-OE2 3.37Å; K384-E387 IonicContact NZ-OE2 3.8Å; K384-E387 PolarHBondContact NZ-OE2 2.82Å; K384-E387 PolarHBondContact O-N 2.98Å; K384-I388 HydrophobicContact CG-CD1 4.12Å; K384-I388 VanDerWaalsContact O-CG1 3.3Å; K384-I388 WeakPolarHBondContact O-CG1 3.38Å; K384-I388 PolarHBondContact O-N 3.49Å
385	R	98.6	Very high	97.6	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-37.9	175.8	-59.3	-167.9	-46.3	-93.1	5.3	111.6	D368 V369 L377 E380 T381 L382 R383 I388 L389 S436	D368-R385 WeakPolarHBondContact OD1-CD 3.33Å; D368-R385 IonicContact OD1-CZ 2.82Å; D368-R385 IonicContact OD1-NE 3.23Å; D368-R385 PolarHBondContact OD1-NE 3.32Å; D368-R385 IonicContact OD1-NH2 2.85Å; D368-R385 IonicContact OD2-CZ 3.04Å; D368-R385 IonicContact OD2-NE 3.35Å; D368-R385 PolarHBondContact OD2-NE 3.47Å; D368-R385 IonicContact OD2-NH2 2.61Å; D368-R385 PolarHBondContact OD2-NH2 2.78Å; V369-R385 HydrophobicContact CG1-CB 4.21Å; V369-R385 VanDerWaalsContact CG1-O 3.25Å; V369-R385 WeakPolarHBondContact CG1-O 2.95Å; V369-R385 WeakPolarHBondContact O-CD 3.38Å; L377-R385 HydrophobicContact CB-CG 4.27Å; L377-R385 VanDerWaalsContact O-CD 3.24Å; L377-R385 WeakPolarHBondContact O-CD 3.5Å; E380-R385 HydrophobicContact CB-CG 4.1Å; E380-R385 PolarHBondContact O-NH1 3.36Å; T381-R385 WeakPolarHBondContact O-CG 3.44Å; T381-R385 PolarHBondContact O-N 3.28Å; L382-R385 VanDerWaalsContact CD1-NH2 3.32Å; L382-R385 PolarHBondContact O-N 3.23Å; R383-R385 PolarHBondContact O-N 3.21Å; R385-I388 PolarHBondContact O-N 2.95Å; R385-L389 VanDerWaalsContact O-CB 3.31Å; R385-L389 WeakPolarHBondContact O-CB 3.38Å; R385-L389 PolarHBondContact O-N 3.39Å; R385-S436 PolarHBondContact NH1-O 2.85Å
386	Y	98.3	Very high	97.7	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-40.3	173.9	-85.8	-52.3	0	0	0	114.3	Y269 E271 F367 L382 R383 K384 I388 L389 S390 K405 K432	Y269-Y386 HydrophobicContact CD2-CD2 4.12Å; Y269-Y386 HydrophobicContact CD2-CE2 4.03Å; Y269-Y386 AromaticContact CE2-CD2 3.98Å; Y269-Y386 HydrophobicContact CE2-CD2 3.98Å; Y269-Y386 HydrophobicContact CE2-CE2 4.37Å; E271-Y386 PolarHBondContact OE1-OH 2.88Å; E271-Y386 PolarHBondContact OE2-OH 3.34Å; F367-Y386 WeakPolarHBondContact O-CE1 3.11Å; F367-Y386 VanDerWaalsContact O-CZ 3.28Å; F367-Y386 PolarHBondContact O-OH 3.14Å; L382-Y386 HydrophobicContact CD1-CD2 3.86Å; L382-Y386 HydrophobicContact CD1-CE2 3.41Å; L382-Y386 VanDerWaalsContact CD1-CE2 3.41Å; L382-Y386 HydrophobicContact CD2-CE2 3.9Å; L382-Y386 HydrophobicContact CG-CD2 3.78Å; L382-Y386 HydrophobicContact CG-CE2 3.52Å; L382-Y386 WeakPolarHBondContact O-CD2 3.48Å; L382-Y386 PolarHBondContact O-N 2.98Å; R383-Y386 PolarHBondContact O-N 3.49Å; K384-Y386 VanDerWaalsContact C-N 3.33Å; K384-Y386 PolarHBondContact O-N 3.39Å; Y386-I388 VanDerWaalsContact C-N 3.31Å; Y386-L389 HydrophobicContact CD1-CD2 4.14Å; Y386-L389 HydrophobicContact CE1-CD2 4.28Å; Y386-L389 PolarHBondContact O-N 2.85Å; Y386-S390 PolarHBondContact O-N 2.9Å; Y386-S390 PolarHBondContact O-OG 2.76Å; Y386-K405 HydrophobicContact CD1-CD 3.78Å; Y386-K405 HydrophobicContact CD2-CD 3.63Å; Y386-K405 HydrophobicContact CE1-CD 4.03Å; Y386-K405 HydrophobicContact CE2-CD 3.85Å; Y386-K405 HydrophobicContact CG-CD 3.63Å; Y386-K432 PolarHBondContact OH-NZ 3.18Å
387	E	97.8	Very high	97.7	Very high	99 Å²	99	47.8 Å²	47.8	46%	0.463	26%	0.261	S	S	.	.	H	α-helix	trans	-57.4	-48.2	173.3	-71.8	168.8	-160.5	0	0	110.2	R383 K384 S390	R383-E387 PolarHBondContact O-N 2.89Å; K384-E387 WeakPolarHBondContact CD-OE2 3.37Å; K384-E387 IonicContact NZ-OE2 3.8Å; K384-E387 PolarHBondContact NZ-OE2 2.82Å; K384-E387 PolarHBondContact O-N 2.98Å; E387-S390 PolarHBondContact O-N 3.46Å
388	I	98.2	Very high	97.4	Very high	27 Å²	27	47.8 Å²	47.8	14%	0.138	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-47.1	178.6	-64.2	166.4	0	0	0	110.4	V369 V372 L377 K384 R385 Y386 S390 S391 I392	V369-I388 HydrophobicContact CG1-CB 4.46Å; V369-I388 HydrophobicContact CG1-CG2 4.36Å; V372-I388 HydrophobicContact CG2-CG2 3.86Å; L377-I388 HydrophobicContact CD1-CD1 4.02Å; L377-I388 HydrophobicContact CD1-CG2 4.05Å; L377-I388 HydrophobicContact CD2-CD1 3.67Å; K384-I388 HydrophobicContact CG-CD1 4.12Å; K384-I388 VanDerWaalsContact O-CG1 3.3Å; K384-I388 WeakPolarHBondContact O-CG1 3.38Å; K384-I388 PolarHBondContact O-N 3.49Å; R385-I388 PolarHBondContact O-N 2.95Å; Y386-I388 VanDerWaalsContact C-N 3.31Å; I388-S390 PolarHBondContact O-N 2.7Å; I388-S390 VanDerWaalsContact O-N 3.16Å; I388-S391 WeakPolarHBondContact O-CB 3.45Å; I388-S391 PolarHBondContact O-N 2.85Å; I388-S391 PolarHBondContact O-OG 3.43Å; I388-I392 HydrophobicContact CG2-CD1 4.16Å; I388-I392 HydrophobicContact CG2-CG1 4.35Å; I388-I392 WeakPolarHBondContact O-CG1 3.45Å; I388-I392 PolarHBondContact O-N 2.99Å
389	L	98.2	Very high	97.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-51.9	-41.6	180	178.1	60.4	0	0	0	112.5	L328 V366 V369 R385 Y386 S391 I392 F393 I402	L328-L389 HydrophobicContact CD2-CD1 4.08Å; V366-L389 HydrophobicContact CB-CD1 4.44Å; V366-L389 HydrophobicContact CG1-CD1 3.64Å; V366-L389 HydrophobicContact CG1-CD2 4.2Å; V369-L389 HydrophobicContact CB-CD1 4.36Å; V369-L389 HydrophobicContact CG1-CB 3.97Å; R385-L389 VanDerWaalsContact O-CB 3.31Å; R385-L389 WeakPolarHBondContact O-CB 3.38Å; R385-L389 PolarHBondContact O-N 3.39Å; Y386-L389 HydrophobicContact CD1-CD2 4.14Å; Y386-L389 HydrophobicContact CE1-CD2 4.28Å; Y386-L389 PolarHBondContact O-N 2.85Å; L389-S391 PolarHBondContact O-N 3.04Å; L389-I392 HydrophobicContact CD1-CD1 4.47Å; L389-I392 PolarHBondContact O-N 3.05Å; L389-F393 HydrophobicContact CD1-CE1 3.86Å; L389-I402 HydrophobicContact CD2-CG2 4.05Å; L389-I402 HydrophobicContact CG-CD1 4.31Å; L389-I402 HydrophobicContact CG-CG1 4.39Å; L389-I402 HydrophobicContact CG-CG2 4.5Å
390	S	95.8	Very high	97.5	Very high	65 Å²	65	42.7 Å²	42.7	46%	0.455	23%	0.231	S	C	.	.	H	α-helix	trans	-67.4	-15.3	-179.1	-50.2	0	0	0	0	113.4	Y386 E387 I388	Y386-S390 PolarHBondContact O-N 2.9Å; Y386-S390 PolarHBondContact O-OG 2.76Å; E387-S390 PolarHBondContact O-N 3.46Å; I388-S390 PolarHBondContact O-N 2.7Å; I388-S390 VanDerWaalsContact O-N 3.16Å
391	S	95.9	Very high	97.5	Very high	71 Å²	71	42 Å²	42	50%	0.497	23%	0.228	S	C	.	.	H	α-helix	trans	-98.3	-13.2	178.9	69.9	0	0	0	0	114.4	K320 I388 L389	K320-S391 VanDerWaalsContact CG-O 3.3Å; K320-S391 WeakPolarHBondContact CG-O 3.06Å; I388-S391 WeakPolarHBondContact O-CB 3.45Å; I388-S391 PolarHBondContact O-N 2.85Å; I388-S391 PolarHBondContact O-OG 3.43Å; L389-S391 PolarHBondContact O-N 3.04Å
392	I	97.1	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-78.9	-38.9	-169.3	-67.6	167.6	0	0	0	112.8	F319 K320 I323 L328 V369 V372 I388 L389	F319-I392 HydrophobicContact CD1-CG2 3.85Å; F319-I392 HydrophobicContact CE1-CG2 4.03Å; K320-I392 PolarHBondContact N-O 2.9Å; I323-I392 HydrophobicContact CG1-CG2 4.24Å; I323-I392 HydrophobicContact CG2-CG2 4.04Å; L328-I392 HydrophobicContact CD2-CD1 4.31Å; V369-I392 HydrophobicContact CB-CD1 3.97Å; V369-I392 HydrophobicContact CG1-CD1 4.2Å; V369-I392 HydrophobicContact CG2-CD1 3.47Å; V369-I392 VanDerWaalsContact CG2-CD1 3.47Å; V372-I392 HydrophobicContact CG2-CD1 3.51Å; V372-I392 HydrophobicContact CG2-CG1 3.95Å; I388-I392 HydrophobicContact CG2-CD1 4.16Å; I388-I392 HydrophobicContact CG2-CG1 4.35Å; I388-I392 WeakPolarHBondContact O-CG1 3.45Å; I388-I392 PolarHBondContact O-N 2.99Å; L389-I392 HydrophobicContact CD1-CD1 4.47Å; L389-I392 PolarHBondContact O-N 3.05Å
393	F	97.8	Very high	97.5	Very high	2 Å²	2	42 Å²	42	1%	0.009	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-146.1	157.6	-176.8	69.1	-90.9	0	0	0	110.7	A318 F319 L328 V366 L389 P395 I400 I402	A318-F393 HydrophobicContact CB-CB 4.42Å; A318-F393 CarbonylContact O-C 3.57Å; A318-F393 VanDerWaalsContact O-CA 3.22Å; A318-F393 WeakPolarHBondContact O-CA 3.19Å; A318-F393 WeakPolarHBondContact O-CB 3.33Å; F319-F393 HydrophobicContact CD1-CB 4.1Å; F319-F393 HydrophobicContact CE1-CB 4.36Å; F319-F393 HydrophobicContact CG-CB 4.44Å; L328-F393 HydrophobicContact CD1-CE1 4.29Å; V366-F393 HydrophobicContact CB-CE1 4.41Å; V366-F393 HydrophobicContact CB-CZ 4.25Å; V366-F393 HydrophobicContact CG2-CE1 4.25Å; V366-F393 HydrophobicContact CG2-CZ 4.04Å; L389-F393 HydrophobicContact CD1-CE1 3.86Å; F393-P395 HydrophobicContact CE2-CB 4.42Å; F393-P395 HydrophobicContact CE2-CG 4.19Å; F393-I400 HydrophobicContact CD1-CD1 4.38Å; F393-I400 HydrophobicContact CD2-CD1 4.07Å; F393-I400 HydrophobicContact CD2-CG1 4.2Å; F393-I400 HydrophobicContact CD2-CG2 4.09Å; F393-I400 HydrophobicContact CE1-CD1 4.22Å; F393-I400 HydrophobicContact CE2-CB 4.38Å; F393-I400 HydrophobicContact CE2-CD1 3.93Å; F393-I400 HydrophobicContact CE2-CG1 3.66Å; F393-I400 HydrophobicContact CE2-CG2 4.13Å; F393-I400 HydrophobicContact CG-CD1 4.31Å; F393-I400 HydrophobicContact CZ-CD1 3.99Å; F393-I400 HydrophobicContact CZ-CG1 3.85Å; F393-I402 HydrophobicContact CE1-CD1 4.48Å; F393-I402 HydrophobicContact CE1-CG1 4.09Å; F393-I402 HydrophobicContact CE2-CG1 3.96Å; F393-I402 HydrophobicContact CZ-CD1 4.13Å; F393-I402 HydrophobicContact CZ-CG1 3.42Å; F393-I402 VanDerWaalsContact CZ-CG1 3.42Å
394	T	98.1	Very high	97.3	Very high	72 Å²	72	45.5 Å²	45.5	44%	0.442	25%	0.247	S	C	.	.			trans	-91.5	117.4	171.9	-45.3	0	0	0	0	107.8	A318 K320 I396	A318-T394 PolarHBondContact O-N 2.95Å; K320-T394 WeakPolarHBondContact CE-OG1 3.41Å; K320-T394 PolarHBondContact NZ-OG1 3.38Å; T394-I396 PolarHBondContact O-N 2.81Å
395	P	98.1	Very high	97.2	Very high	63 Å²	63	45.1 Å²	45.1	41%	0.409	25%	0.245	S	C	.	.			trans	-55.8	137.4	-178.7	-27.5	35.9	0	0	0	112.6	F393 I400 I402	F393-P395 HydrophobicContact CE2-CB 4.42Å; F393-P395 HydrophobicContact CE2-CG 4.19Å; P395-I400 CarbonylContact C-O 3.58Å; P395-I400 WeakPolarHBondContact CA-O 3.48Å; P395-I402 HydrophobicContact CG-CD1 4.17Å; P395-I402 HydrophobicContact CG-CG1 4.23Å
396	I	98	Very high	97.1	Very high	60 Å²	60	49.2 Å²	49.2	31%	0.308	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-114.8	106.4	172.7	-57.3	178	0	0	0	106.6	A318 T394 G398 R399 I400	A318-I396 HydrophobicContact CB-CD1 3.69Å; A318-I396 HydrophobicContact CB-CG1 4.09Å; T394-I396 PolarHBondContact O-N 2.81Å; I396-G398 PolarHBondContact O-N 2.76Å; I396-R399 HydrophobicContact CB-CB 4.11Å; I396-R399 HydrophobicContact CG2-CB 3.89Å; I396-R399 HydrophobicContact CG2-CG 4.05Å; I396-R399 PolarHBondContact O-N 3.23Å; I396-I400 HydrophobicContact CB-CG2 4.3Å; I396-I400 HydrophobicContact CG1-CG2 4.43Å; I396-I400 PolarHBondContact N-O 3.35Å; I396-I400 PolarHBondContact O-N 3.27Å
397	P	96.5	Very high	97.1	Very high	100 Å²	100	54 Å²	54	65%	0.649	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	131.2	179.3	-28.9	35.8	0	0	0	112.2	R399 E401	P397-R399 VanDerWaalsContact C-N 3.26Å; P397-R399 PolarHBondContact O-N 3.22Å; P397-E401 WeakPolarHBondContact CA-OE1 3.32Å
398	G	93	Very high	97.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	2.3	-177.5	0	0	0	0	0	116	Y335 Q361 C363 I396 E401	Y335-G398 VanDerWaalsContact CD1-CA 3.46Å; Q361-G398 PolarHBondContact NE2-O 3.48Å; C363-G398 WeakPolarHBondContact CB-O 3.17Å; I396-G398 PolarHBondContact O-N 2.76Å; G398-E401 PolarHBondContact N-OE1 2.92Å
399	R	96.1	Very high	97	Very high	46 Å²	46	52.8 Å²	52.8	17%	0.174	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-54.3	176.7	-65.9	-64.6	-176.4	163	-1.5	113.2	L311 F314 I315 Q361 C363 Y364 I396 P397	L311-R399 WeakPolarHBondContact CD1-O 3.33Å; F314-R399 HydrophobicContact CB-CG 4.25Å; F314-R399 VanDerWaalsContact CG-NH1 3.3Å; I315-R399 HydrophobicContact CG2-CB 4.27Å; Q361-R399 VanDerWaalsContact OE1-NH2 3.1Å; C363-R399 CarbonylContact C-O 3.58Å; C363-R399 WeakPolarHBondContact CA-O 3.41Å; C363-R399 PolarHBondContact SG-N 3.04Å; Y364-R399 PolarHBondContact N-O 3.09Å; I396-R399 HydrophobicContact CB-CB 4.11Å; I396-R399 HydrophobicContact CG2-CB 3.89Å; I396-R399 HydrophobicContact CG2-CG 4.05Å; I396-R399 PolarHBondContact O-N 3.23Å; P397-R399 VanDerWaalsContact C-N 3.26Å; P397-R399 PolarHBondContact O-N 3.22Å
400	I	98.3	Very high	96.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	120.1	173.2	-170.5	175.2	0	0	0	109.5	I315 A318 F319 L328 Y364 V366 F393 P395 I396	I315-I400 HydrophobicContact CB-CB 4.33Å; I315-I400 HydrophobicContact CB-CG2 4.12Å; I315-I400 HydrophobicContact CD1-CD1 4.31Å; I315-I400 HydrophobicContact CG2-CB 3.74Å; I315-I400 HydrophobicContact CG2-CG2 3.85Å; A318-I400 HydrophobicContact CB-CG2 3.86Å; F319-I400 HydrophobicContact CZ-CD1 4.22Å; L328-I400 HydrophobicContact CD1-CD1 4.47Å; Y364-I400 HydrophobicContact CD1-CD1 4.33Å; Y364-I400 HydrophobicContact CD1-CG1 4.4Å; Y364-I400 WeakPolarHBondContact O-CA 3.47Å; V366-I400 HydrophobicContact CG2-CD1 4.23Å; V366-I400 HydrophobicContact CG2-CG1 4.01Å; F393-I400 HydrophobicContact CD1-CD1 4.38Å; F393-I400 HydrophobicContact CD2-CD1 4.07Å; F393-I400 HydrophobicContact CD2-CG1 4.2Å; F393-I400 HydrophobicContact CD2-CG2 4.09Å; F393-I400 HydrophobicContact CE1-CD1 4.22Å; F393-I400 HydrophobicContact CE2-CB 4.38Å; F393-I400 HydrophobicContact CE2-CD1 3.93Å; F393-I400 HydrophobicContact CE2-CG1 3.66Å; F393-I400 HydrophobicContact CE2-CG2 4.13Å; F393-I400 HydrophobicContact CG-CD1 4.31Å; F393-I400 HydrophobicContact CZ-CD1 3.99Å; F393-I400 HydrophobicContact CZ-CG1 3.85Å; P395-I400 CarbonylContact C-O 3.58Å; P395-I400 WeakPolarHBondContact CA-O 3.48Å; I396-I400 HydrophobicContact CB-CG2 4.3Å; I396-I400 HydrophobicContact CG1-CG2 4.43Å; I396-I400 PolarHBondContact N-O 3.35Å; I396-I400 PolarHBondContact O-N 3.27Å
401	E	98.3	Very high	96.9	Very high	47 Å²	47	54.1 Å²	54.1	22%	0.22	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.5	-173.8	-68.6	-179.6	-161.6	0	0	110.6	Y364 C365 V366 P397 G398	Y364-E401 PolarHBondContact O-N 2.83Å; C365-E401 CarbonylContact C-O 3.51Å; C365-E401 WeakPolarHBondContact CA-O 3.22Å; V366-E401 PolarHBondContact N-O 3.27Å; P397-E401 WeakPolarHBondContact CA-OE1 3.32Å; G398-E401 PolarHBondContact N-OE1 2.92Å
402	I	98.4	Very high	96.9	Very high	35 Å²	35	54.5 Å²	54.5	18%	0.179	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.5	167.5	-61.6	174.1	0	0	0	107.1	V366 L389 F393 P395 Q404	V366-I402 WeakPolarHBondContact O-CA 3.37Å; L389-I402 HydrophobicContact CD2-CG2 4.05Å; L389-I402 HydrophobicContact CG-CD1 4.31Å; L389-I402 HydrophobicContact CG-CG1 4.39Å; L389-I402 HydrophobicContact CG-CG2 4.5Å; F393-I402 HydrophobicContact CE1-CD1 4.48Å; F393-I402 HydrophobicContact CE1-CG1 4.09Å; F393-I402 HydrophobicContact CE2-CG1 3.96Å; F393-I402 HydrophobicContact CZ-CD1 4.13Å; F393-I402 HydrophobicContact CZ-CG1 3.42Å; F393-I402 VanDerWaalsContact CZ-CG1 3.42Å; P395-I402 HydrophobicContact CG-CD1 4.17Å; P395-I402 HydrophobicContact CG-CG1 4.23Å; I402-Q404 PolarHBondContact O-N 2.88Å
403	V	97.8	Very high	96.8	Very high	12 Å²	12	57.9 Å²	57.9	7%	0.073	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-59.9	127.1	176	179.6	0	0	0	0	109.4	E271 L274 C365 V366 F367 K405	E271-V403 HydrophobicContact CB-CG1 4.09Å; E271-V403 HydrophobicContact CG-CG1 4.24Å; L274-V403 HydrophobicContact CD1-CG2 3.74Å; C365-V403 HydrophobicContact CB-CG2 3.99Å; V366-V403 PolarHBondContact O-N 3.12Å; F367-V403 HydrophobicContact CB-CB 4Å; F367-V403 HydrophobicContact CB-CG2 3.9Å; F367-V403 HydrophobicContact CD1-CG2 4.25Å; V403-K405 PolarHBondContact O-N 3.34Å
404	Q	95	Very high	96.8	Very high	172 Å²	172	57.8 Å²	57.8	80%	0.804	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-65.1	135.5	178.1	-64.4	-175.2	4.5	0	0	110.1	I402	I402-Q404 PolarHBondContact O-N 2.88Å
405	K	95.8	Very high	96.6	Very high	72 Å²	72	54.5 Å²	54.5	31%	0.313	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.9	178.6	68	-172.9	-178.6	-64.5	0	109.4	Y269 I270 E271 Y386 V403	Y269-K405 HydrophobicContact CD1-CD 4.42Å; I270-K405 WeakPolarHBondContact O-CA 3.44Å; E271-K405 HydrophobicContact CG-CB 3.75Å; Y386-K405 HydrophobicContact CD1-CD 3.78Å; Y386-K405 HydrophobicContact CD2-CD 3.63Å; Y386-K405 HydrophobicContact CE1-CD 4.03Å; Y386-K405 HydrophobicContact CE2-CD 3.85Å; Y386-K405 HydrophobicContact CG-CD 3.63Å; V403-K405 PolarHBondContact O-N 3.34Å
406	T	97.4	Very high	96.4	Very high	86 Å²	86	56.4 Å²	56.4	53%	0.528	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.6	171.8	53.4	0	0	0	0	109.2	Y269 I270	Y269-T406 CarbonylContact C-O 3.58Å; Y269-T406 WeakPolarHBondContact CA-O 3.45Å; I270-T406 PolarHBondContact N-O 2.95Å; I270-T406 PolarHBondContact O-N 3.36Å; I270-T406 PolarHBondContact O-OG1 2.78Å
407	Q	97.9	Very high	96.3	Very high	106 Å²	106	54.3 Å²	54.3	50%	0.495	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.4	172.8	-178.3	174	-23.6	0	0	108.5	F268 Y269 H409	F268-Q407 WeakPolarHBondContact O-CA 3.23Å; Y269-Q407 HydrophobicContact CD1-CB 4.47Å; Y269-Q407 HydrophobicContact CE1-CB 4.42Å; Q407-H409 PolarHBondContact NE2-NE2 3.32Å; Q407-H409 VanDerWaalsContact NE2-NE2 3.18Å
408	A	97.3	Very high	96.2	Very high	2 Å²	2	49.6 Å²	49.6	2%	0.017	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	163.4	178	0	0	0	0	0	110.4	F268 I270 E413	F268-A408 HydrophobicContact CD2-CB 4.09Å; F268-A408 HydrophobicContact CE2-CB 3.58Å; F268-A408 HydrophobicContact CZ-CB 4.13Å; F268-A408 PolarHBondContact N-O 3.36Å; F268-A408 PolarHBondContact O-N 2.86Å; I270-A408 HydrophobicContact CD1-CB 3.53Å; I270-A408 HydrophobicContact CG1-CB 3.86Å; A408-E413 HydrophobicContact CB-CB 3.91Å
409	H	96.3	Very high	96.1	Very high	98 Å²	98	50.3 Å²	50.3	45%	0.454	25%	0.252	S	S	.	.			trans	-132.5	-21.8	-176.4	-66	-95.4	0	0	0	113.1	S267 Q407 E413	S267-H409 WeakPolarHBondContact CB-CE1 3.5Å; Q407-H409 PolarHBondContact NE2-NE2 3.32Å; Q407-H409 VanDerWaalsContact NE2-NE2 3.18Å; H409-E413 PolarHBondContact N-OE2 3.1Å
410	T	96.4	Very high	95.9	Very high	56 Å²	56	52.9 Å²	52.9	34%	0.344	27%	0.266	S	S	.	.	S	Bend	trans	-120.9	155.9	-168.7	66.9	0	0	0	0	112.3	E260 N412 E413 V414	E260-T410 WeakPolarHBondContact OE1-CA 3.18Å; T410-N412 PolarHBondContact O-N 3.15Å; T410-E413 WeakPolarHBondContact CB-OE2 3.33Å; T410-E413 PolarHBondContact N-OE2 3.02Å; T410-E413 PolarHBondContact O-N 2.98Å; T410-E413 WeakPolarHBondContact OG1-CG 3.43Å; T410-E413 PolarHBondContact OG1-N 3.15Å; T410-E413 PolarHBondContact OG1-OE2 2.99Å; T410-V414 PolarHBondContact O-N 3.17Å
411	K	95.9	Very high	95.5	Very high	37 Å²	37	53 Å²	53	16%	0.161	27%	0.267	C	S	.	.	H	α-helix	trans	-58.4	-36	170.9	177.8	-174.8	171.4	-161.8	0	112.4	I256 E257 I259 E260 V414 I415	I256-K411 HydrophobicContact CG2-CG 4.1Å; E257-K411 VanDerWaalsContact OE1-CE 3.27Å; E257-K411 WeakPolarHBondContact OE1-CE 3.15Å; E257-K411 IonicContact OE1-NZ 2.61Å; E257-K411 PolarHBondContact OE1-NZ 2.84Å; E257-K411 IonicContact OE2-NZ 2.83Å; E257-K411 PolarHBondContact OE2-NZ 3.45Å; I259-K411 HydrophobicContact CG2-CB 4Å; I259-K411 HydrophobicContact CG2-CG 4.2Å; E260-K411 HydrophobicContact CG-CB 4.37Å; E260-K411 WeakPolarHBondContact OE1-CB 3.42Å; E260-K411 PolarHBondContact OE1-N 2.86Å; K411-V414 WeakPolarHBondContact O-CB 3.42Å; K411-V414 PolarHBondContact O-N 2.94Å; K411-V414 VanDerWaalsContact O-N 3.15Å; K411-I415 HydrophobicContact CG-CD1 4.17Å; K411-I415 WeakPolarHBondContact O-CG1 3.43Å; K411-I415 PolarHBondContact O-N 3.28Å
412	N	94.6	Very high	94.9	Very high	79 Å²	79	51 Å²	51	42%	0.422	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-43.2	-178	-73.1	17.5	0	0	0	111.5	T410 V414 I415 D416	T410-N412 PolarHBondContact O-N 3.15Å; N412-V414 PolarHBondContact O-N 2.84Å; N412-I415 WeakPolarHBondContact O-CB 3.33Å; N412-I415 PolarHBondContact O-N 2.87Å; N412-D416 VanDerWaalsContact O-CG 3.32Å; N412-D416 PolarHBondContact O-N 3.07Å
413	E	96.8	Very high	94.2	Very high	70 Å²	70	53.4 Å²	53.4	33%	0.327	27%	0.271	S	S	.	.	H	α-helix	trans	-59.5	-33.4	174.1	-68.8	165.2	106.5	0	0	112.1	A408 H409 T410 A417	A408-E413 HydrophobicContact CB-CB 3.91Å; H409-E413 PolarHBondContact N-OE2 3.1Å; T410-E413 WeakPolarHBondContact CB-OE2 3.33Å; T410-E413 PolarHBondContact N-OE2 3.02Å; T410-E413 PolarHBondContact O-N 2.98Å; T410-E413 WeakPolarHBondContact OG1-CG 3.43Å; T410-E413 PolarHBondContact OG1-N 3.15Å; T410-E413 PolarHBondContact OG1-OE2 2.99Å; E413-A417 VanDerWaalsContact O-CB 3.31Å; E413-A417 WeakPolarHBondContact O-CB 3.37Å; E413-A417 PolarHBondContact O-N 2.9Å
414	V	96.4	Very high	93.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-40	174.5	176.3	0	0	0	0	111.6	I259 F268 I270 T410 K411 N412 L418 I429 I431 I450	I259-V414 HydrophobicContact CG1-CG1 4.49Å; I259-V414 HydrophobicContact CG1-CG2 4.18Å; I259-V414 HydrophobicContact CG2-CG2 4.22Å; F268-V414 HydrophobicContact CE2-CG2 3.47Å; F268-V414 VanDerWaalsContact CE2-CG2 3.47Å; F268-V414 HydrophobicContact CZ-CG2 3.7Å; I270-V414 HydrophobicContact CD1-CG2 3.93Å; T410-V414 PolarHBondContact O-N 3.17Å; K411-V414 WeakPolarHBondContact O-CB 3.42Å; K411-V414 PolarHBondContact O-N 2.94Å; K411-V414 VanDerWaalsContact O-N 3.15Å; N412-V414 PolarHBondContact O-N 2.84Å; V414-L418 WeakPolarHBondContact O-CB 3.4Å; V414-L418 PolarHBondContact O-N 3.47Å; V414-I429 HydrophobicContact CG1-CD1 3.85Å; V414-I429 WeakPolarHBondContact O-CD1 3.4Å; V414-I431 HydrophobicContact CG1-CD1 4.11Å; V414-I431 HydrophobicContact CG2-CD1 4.13Å; V414-I450 HydrophobicContact CG1-CD1 3.51Å
415	I	94.3	Very high	92.7	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-45.4	176.1	-69.3	171.6	0	0	0	110.2	I256 K411 N412 A417 L418 N419 L615 V617	I256-I415 HydrophobicContact CG2-CD1 4.3Å; I256-I415 HydrophobicContact CG2-CG1 3.86Å; K411-I415 HydrophobicContact CG-CD1 4.17Å; K411-I415 WeakPolarHBondContact O-CG1 3.43Å; K411-I415 PolarHBondContact O-N 3.28Å; N412-I415 WeakPolarHBondContact O-CB 3.33Å; N412-I415 PolarHBondContact O-N 2.87Å; I415-A417 PolarHBondContact O-N 3.23Å; I415-L418 PolarHBondContact O-N 3.23Å; I415-N419 PolarHBondContact O-N 3.23Å; I415-N419 PolarHBondContact O-ND2 3.03Å; I415-L615 HydrophobicContact CD1-CD2 4.32Å; I415-L615 HydrophobicContact CG1-CD2 3.95Å; I415-L615 HydrophobicContact CG2-CB 4.13Å; I415-L615 HydrophobicContact CG2-CD2 4.34Å; I415-L615 HydrophobicContact CG2-CG 4.2Å; I415-L615 VanDerWaalsContact CG2-O 3.31Å; I415-L615 WeakPolarHBondContact CG2-O 3.26Å; I415-V617 HydrophobicContact CD1-CG2 3.67Å
416	D	94.8	Very high	92.2	Very high	103 Å²	103	52.9 Å²	52.9	55%	0.551	26%	0.264	S	S	*	.	H	α-helix	trans	-60.9	-46.6	178.3	-65.9	-21.9	0	0	0	110.8	N412 L418 N419 E420	N412-D416 VanDerWaalsContact O-CG 3.32Å; N412-D416 PolarHBondContact O-N 3.07Å; D416-L418 VanDerWaalsContact C-N 3.31Å; D416-L418 PolarHBondContact O-N 3.28Å; D416-N419 PolarHBondContact O-N 3.43Å; D416-E420 WeakPolarHBondContact O-CB 3.4Å; D416-E420 PolarHBondContact O-N 3.29Å
417	A	95.9	Very high	91.7	Very high	16 Å²	16	50.4 Å²	50.4	13%	0.132	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-35.1	175.7	0	0	0	0	0	112.9	I270 E413 I415 A421 I429	I270-A417 HydrophobicContact CD1-CB 4.09Å; I270-A417 HydrophobicContact CG2-CB 3.85Å; E413-A417 VanDerWaalsContact O-CB 3.31Å; E413-A417 WeakPolarHBondContact O-CB 3.37Å; E413-A417 PolarHBondContact O-N 2.9Å; I415-A417 PolarHBondContact O-N 3.23Å; A417-A421 WeakPolarHBondContact O-CB 3.28Å; A417-A421 PolarHBondContact O-N 2.97Å; A417-I429 HydrophobicContact CB-CD1 4.34Å; A417-I429 HydrophobicContact CB-CG2 4.48Å
418	L	94.3	Very high	91.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68	-42.5	175	180	62.9	0	0	0	111.4	I256 V414 I415 D416 A421 I422 I429 I450 P452 V455 L458 L615	I256-L418 HydrophobicContact CD1-CD2 3.65Å; V414-L418 WeakPolarHBondContact O-CB 3.4Å; V414-L418 PolarHBondContact O-N 3.47Å; I415-L418 PolarHBondContact O-N 3.23Å; D416-L418 VanDerWaalsContact C-N 3.31Å; D416-L418 PolarHBondContact O-N 3.28Å; L418-A421 PolarHBondContact O-N 3.47Å; L418-I422 HydrophobicContact CG-CD1 4.23Å; L418-I422 VanDerWaalsContact O-CG1 3.29Å; L418-I422 WeakPolarHBondContact O-CG1 3.17Å; L418-I422 PolarHBondContact O-N 3.13Å; L418-I429 HydrophobicContact CB-CD1 3.96Å; L418-I429 HydrophobicContact CD1-CG1 4.49Å; L418-I450 HydrophobicContact CD1-CG2 4.16Å; L418-I450 HydrophobicContact CD2-CG2 3.86Å; L418-P452 HydrophobicContact CD1-CG 4.26Å; L418-V455 HydrophobicContact CD2-CG2 4.25Å; L418-L458 HydrophobicContact CD2-CD1 4.49Å; L418-L615 HydrophobicContact CD2-CD2 4.46Å
419	N	91.5	Very high	91.5	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.08	22%	0.223	C	C	.	.	H	α-helix	trans	-64.3	-42.9	176.8	-71.7	-27.1	0	0	0	110.8	I415 D416 A421 I422 D423 H614 L615	I415-N419 PolarHBondContact O-N 3.23Å; I415-N419 PolarHBondContact O-ND2 3.03Å; D416-N419 PolarHBondContact O-N 3.43Å; N419-A421 VanDerWaalsContact C-N 3.34Å; N419-A421 PolarHBondContact O-N 2.93Å; N419-I422 WeakPolarHBondContact O-CB 3.41Å; N419-I422 PolarHBondContact O-N 3.41Å; N419-I422 VanDerWaalsContact O-N 3.13Å; N419-D423 PolarHBondContact O-N 3.27Å; N419-H614 VanDerWaalsContact OD1-CA 3.31Å; N419-H614 WeakPolarHBondContact OD1-CA 3.47Å; N419-L615 PolarHBondContact ND2-O 2.98Å; N419-L615 PolarHBondContact OD1-N 3.33Å
420	E	91.8	Very high	91.6	Very high	101 Å²	101	41.9 Å²	41.9	47%	0.472	21%	0.207	S	C	.	.	H	α-helix	trans	-60.5	-42.6	174.2	-171	-177	179.7	0	0	111.7	D416 I422 D423 K424	D416-E420 WeakPolarHBondContact O-CB 3.4Å; D416-E420 PolarHBondContact O-N 3.29Å; E420-I422 VanDerWaalsContact C-N 3.33Å; E420-I422 PolarHBondContact O-N 3.02Å; E420-D423 PolarHBondContact O-N 3.41Å; E420-K424 HydrophobicContact CG-CD 4.25Å; E420-K424 WeakPolarHBondContact O-CB 3.47Å; E420-K424 WeakPolarHBondContact O-CG 3.18Å; E420-K424 PolarHBondContact O-N 3.45Å; E420-K424 WeakPolarHBondContact OE1-CE 3.47Å; E420-K424 IonicContact OE1-NZ 2.83Å; E420-K424 PolarHBondContact OE1-NZ 2.91Å
421	A	89.5	Confident	91.7	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-38.6	174.4	0	0	0	0	0	112.1	A417 L418 N419 R425 E426 I429	A417-A421 WeakPolarHBondContact O-CB 3.28Å; A417-A421 PolarHBondContact O-N 2.97Å; L418-A421 PolarHBondContact O-N 3.47Å; N419-A421 VanDerWaalsContact C-N 3.34Å; N419-A421 PolarHBondContact O-N 2.93Å; A421-R425 PolarHBondContact O-N 3.21Å; A421-R425 VanDerWaalsContact O-N 3.09Å; A421-E426 HydrophobicContact CB-CB 4.11Å; A421-E426 WeakPolarHBondContact O-CB 3.43Å; A421-E426 PolarHBondContact O-N 2.88Å; A421-I429 HydrophobicContact CB-CG2 3.89Å
422	I	84.9	Confident	91.8	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-42.7	174.8	-70.5	164.7	0	0	0	111.1	L418 N419 E420 R425 P452 L458	L418-I422 HydrophobicContact CG-CD1 4.23Å; L418-I422 VanDerWaalsContact O-CG1 3.29Å; L418-I422 WeakPolarHBondContact O-CG1 3.17Å; L418-I422 PolarHBondContact O-N 3.13Å; N419-I422 WeakPolarHBondContact O-CB 3.41Å; N419-I422 PolarHBondContact O-N 3.41Å; N419-I422 VanDerWaalsContact O-N 3.13Å; E420-I422 VanDerWaalsContact C-N 3.33Å; E420-I422 PolarHBondContact O-N 3.02Å; I422-R425 PolarHBondContact O-N 2.73Å; I422-R425 VanDerWaalsContact O-N 3.11Å; I422-R425 PolarHBondContact O-NH1 3.24Å; I422-P452 HydrophobicContact CD1-CB 4.12Å; I422-P452 HydrophobicContact CD1-CG 3.82Å; I422-P452 HydrophobicContact CG1-CB 4.23Å; I422-P452 HydrophobicContact CG1-CG 3.48Å; I422-P452 VanDerWaalsContact CG1-CG 3.48Å; I422-L458 HydrophobicContact CD1-CD1 4.39Å
423	D	83.8	Confident	92	Very high	87 Å²	87	35.3 Å²	35.3	47%	0.465	17%	0.17	S	C	.	.	H	α-helix	trans	-66.1	-41.9	179.6	-70	-19.4	0	0	0	111.4	N419 E420 R425 H614	N419-D423 PolarHBondContact O-N 3.27Å; E420-D423 PolarHBondContact O-N 3.41Å; D423-R425 PolarHBondContact O-N 2.74Å; D423-H614 VanDerWaalsContact CG-NE2 3.26Å; D423-H614 IonicContact OD1-CD2 2.63Å; D423-H614 IonicContact OD1-CE1 2.67Å; D423-H614 IonicContact OD1-NE2 2.68Å; D423-H614 PolarHBondContact OD1-NE2 3.14Å; D423-H614 IonicContact OD2-CE1 2.78Å; D423-H614 PolarHBondContact OD2-CE1 3.45Å; D423-H614 IonicContact OD2-NE2 2.69Å; D423-H614 PolarHBondContact OD2-NE2 2.87Å
424	K	80.3	Confident	92.1	Very high	117 Å²	117	32.2 Å²	32.2	51%	0.509	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	0.3	173.4	-67	179.8	-174	172.2	0	114.1	E420 E426	E420-K424 HydrophobicContact CG-CD 4.25Å; E420-K424 WeakPolarHBondContact O-CB 3.47Å; E420-K424 WeakPolarHBondContact O-CG 3.18Å; E420-K424 PolarHBondContact O-N 3.45Å; E420-K424 WeakPolarHBondContact OE1-CE 3.47Å; E420-K424 IonicContact OE1-NZ 2.83Å; E420-K424 PolarHBondContact OE1-NZ 2.91Å; K424-E426 HydrophobicContact CB-CG 3.89Å; K424-E426 PolarHBondContact O-N 3.35Å
425	R	80.3	Confident	92.2	Very high	73 Å²	73	36.6 Å²	36.6	28%	0.275	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	27.8	-180	-48.6	-62.1	179.9	-143.8	4.1	113.8	Q344 A421 I422 D423 K609	Q344-R425 PolarHBondContact NE2-O 2.93Å; A421-R425 PolarHBondContact O-N 3.21Å; A421-R425 VanDerWaalsContact O-N 3.09Å; I422-R425 PolarHBondContact O-N 2.73Å; I422-R425 VanDerWaalsContact O-N 3.11Å; I422-R425 PolarHBondContact O-NH1 3.24Å; D423-R425 PolarHBondContact O-N 2.74Å; R425-K609 HydrophobicContact CB-CG 4.27Å; R425-K609 VanDerWaalsContact O-CE 3.26Å; R425-K609 WeakPolarHBondContact O-CE 3.38Å
426	E	85.5	Confident	92.3	Very high	55 Å²	55	36.9 Å²	36.9	26%	0.257	18%	0.182	S	C	.	.			trans	-75	169.5	176.7	-62.4	176.8	177.6	0	0	111.5	T272 A421 K424 G428	T272-E426 HydrophobicContact CG2-CB 4.36Å; T272-E426 VanDerWaalsContact CG2-CD 3.43Å; T272-E426 HydrophobicContact CG2-CG 4.14Å; T272-E426 WeakPolarHBondContact CG2-OE2 3.26Å; T272-E426 PolarHBondContact OG1-OE2 3.23Å; A421-E426 HydrophobicContact CB-CB 4.11Å; A421-E426 WeakPolarHBondContact O-CB 3.43Å; A421-E426 PolarHBondContact O-N 2.88Å; K424-E426 HydrophobicContact CB-CG 3.89Å; K424-E426 PolarHBondContact O-N 3.35Å; E426-G428 VanDerWaalsContact C-N 3.28Å; E426-G428 PolarHBondContact O-N 2.97Å
427	E	87.8	Confident	92.5	Very high	33 Å²	33	34.4 Å²	34.4	15%	0.154	17%	0.168	C	C	.	.	S	Bend	trans	-73.2	-24	-178.7	-157.3	-171.3	149.2	0	0	112.9	K273 D275 K451	K273-E427 HydrophobicContact CD-CB 4.46Å; K273-E427 HydrophobicContact CD-CG 4.43Å; K273-E427 WeakPolarHBondContact CE-OE1 3.39Å; K273-E427 IonicContact NZ-OE1 3.87Å; K273-E427 PolarHBondContact NZ-OE1 3.06Å; K273-E427 IonicContact NZ-OE2 2.75Å; K273-E427 PolarHBondContact NZ-OE2 2.88Å; K273-E427 WeakPolarHBondContact O-CB 2.94Å; D275-E427 WeakPolarHBondContact CA-OE2 3.49Å; D275-E427 HydrophobicContact CB-CB 4.19Å; D275-E427 HydrophobicContact CB-CG 4.41Å; E427-K451 WeakPolarHBondContact O-CG 3.35Å; E427-K451 WeakPolarHBondContact OE1-CE 3.48Å; E427-K451 IonicContact OE1-NZ 2.93Å; E427-K451 PolarHBondContact OE1-NZ 3.42Å
428	G	93.3	Very high	92.6	Very high	1 Å²	1	34 Å²	34	1%	0.01	16%	0.163	C	C	.	.			trans	143.3	-156.7	-173.1	0	0	0	0	0	110.8	K273 E426 I450	K273-G428 VanDerWaalsContact CB-C 3.49Å; K273-G428 WeakPolarHBondContact CB-O 3.34Å; K273-G428 PolarHBondContact N-O 2.88Å; E426-G428 VanDerWaalsContact C-N 3.28Å; E426-G428 PolarHBondContact O-N 2.97Å; G428-I450 WeakPolarHBondContact CA-O 3.43Å
429	I	97.8	Very high	92.8	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154.9	-175.4	61.8	-178.9	0	0	0	111.8	I270 E271 V414 A417 L418 A421 I431 K449 I450	I270-I429 HydrophobicContact CG2-CB 4.22Å; I270-I429 HydrophobicContact CG2-CD1 4.41Å; I270-I429 HydrophobicContact CG2-CG2 4.42Å; E271-I429 CarbonylContact O-C 3.39Å; E271-I429 WeakPolarHBondContact O-CA 3.34Å; V414-I429 HydrophobicContact CG1-CD1 3.85Å; V414-I429 WeakPolarHBondContact O-CD1 3.4Å; A417-I429 HydrophobicContact CB-CD1 4.34Å; A417-I429 HydrophobicContact CB-CG2 4.48Å; L418-I429 HydrophobicContact CB-CD1 3.96Å; L418-I429 HydrophobicContact CD1-CG1 4.49Å; A421-I429 HydrophobicContact CB-CG2 3.89Å; I429-I431 HydrophobicContact CD1-CD1 3.98Å; I429-I431 HydrophobicContact CG1-CD1 4.29Å; I429-K449 WeakPolarHBondContact O-CA 3.12Å; I429-I450 HydrophobicContact CD1-CB 4.38Å; I429-I450 HydrophobicContact CD1-CD1 4.33Å; I429-I450 HydrophobicContact CG1-CB 3.85Å; I429-I450 HydrophobicContact CG1-CD1 4.48Å; I429-I450 PolarHBondContact N-O 2.81Å; I429-I450 PolarHBondContact O-N 2.9Å
430	M	98.4	Very high	93	Very high	22 Å²	22	37.9 Å²	37.9	11%	0.108	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.1	172.7	-61.9	-67.1	-62.9	0	0	108.6	A251 I270 E271 K273 L448 K449	A251-M430 HydrophobicContact CB-CE 3.59Å; A251-M430 HydrophobicContact CB-SD 4.45Å; I270-M430 WeakPolarHBondContact CA-O 3.49Å; E271-M430 HydrophobicContact CB-CB 4.25Å; E271-M430 PolarHBondContact N-O 3.43Å; E271-M430 PolarHBondContact O-N 2.75Å; K273-M430 HydrophobicContact CB-CG 3.92Å; K273-M430 HydrophobicContact CB-SD 4.24Å; K273-M430 HydrophobicContact CD-SD 4.1Å; K273-M430 HydrophobicContact CG-CG 4.04Å; K273-M430 HydrophobicContact CG-SD 3.8Å; M430-L448 WeakPolarHBondContact CA-O 3.34Å; M430-K449 HydrophobicContact SD-CB 3.7Å
431	I	98.4	Very high	93.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.2	176	-47.3	-63.6	0	0	0	108.3	I259 M263 F268 Y269 I270 V414 I429 L448 I450	I259-I431 HydrophobicContact CD1-CB 4.19Å; I259-I431 HydrophobicContact CD1-CG1 4.11Å; I259-I431 HydrophobicContact CD1-CG2 4Å; I259-I431 HydrophobicContact CG1-CG2 4.3Å; M263-I431 HydrophobicContact CE-CG2 4.04Å; M263-I431 HydrophobicContact CG-CG2 3.95Å; M263-I431 HydrophobicContact SD-CG2 3.75Å; F268-I431 HydrophobicContact CB-CG2 4.25Å; F268-I431 HydrophobicContact CD2-CG2 3.59Å; F268-I431 HydrophobicContact CE2-CG2 4.17Å; F268-I431 HydrophobicContact CG-CG2 4.05Å; Y269-I431 CarbonylContact O-C 3.54Å; Y269-I431 WeakPolarHBondContact O-CA 3.46Å; I270-I431 HydrophobicContact CB-CD1 4.24Å; I270-I431 HydrophobicContact CD1-CD1 4.24Å; I270-I431 HydrophobicContact CG1-CD1 3.74Å; I270-I431 HydrophobicContact CG2-CD1 3.99Å; V414-I431 HydrophobicContact CG1-CD1 4.11Å; V414-I431 HydrophobicContact CG2-CD1 4.13Å; I429-I431 HydrophobicContact CD1-CD1 3.98Å; I429-I431 HydrophobicContact CG1-CD1 4.29Å; I431-L448 HydrophobicContact CB-CB 4.31Å; I431-L448 PolarHBondContact N-O 2.87Å; I431-L448 PolarHBondContact O-N 3.06Å; I431-I450 HydrophobicContact CD1-CD1 4.36Å; I431-I450 HydrophobicContact CG1-CD1 3.74Å; I431-I450 HydrophobicContact CG1-CG1 4.49Å
432	K	98.4	Very high	93.5	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.4	-174.9	-57.3	-175.8	-168.5	157.5	0	113.2	Y269 E271 L382 Y386 P434 G446 W447	Y269-K432 PolarHBondContact N-O 3.23Å; Y269-K432 PolarHBondContact O-N 2.76Å; E271-K432 WeakPolarHBondContact OE1-CD 3.47Å; E271-K432 WeakPolarHBondContact OE1-CE 3.45Å; E271-K432 IonicContact OE1-NZ 2.69Å; E271-K432 PolarHBondContact OE1-NZ 3.46Å; E271-K432 IonicContact OE2-NZ 3.75Å; E271-K432 PolarHBondContact OE2-NZ 3.12Å; L382-K432 HydrophobicContact CD2-CB 3.48Å; L382-K432 VanDerWaalsContact CD2-CB 3.48Å; L382-K432 HydrophobicContact CD2-CD 3.79Å; L382-K432 HydrophobicContact CD2-CG 4.3Å; Y386-K432 PolarHBondContact OH-NZ 3.18Å; K432-P434 WeakPolarHBondContact O-CD 3.46Å; K432-G446 CarbonylContact C-O 3.26Å; K432-G446 VanDerWaalsContact CA-O 3.28Å; K432-G446 WeakPolarHBondContact CA-O 3.37Å; K432-W447 HydrophobicContact CD-CD2 4.14Å; K432-W447 HydrophobicContact CD-CG 4.16Å; K432-W447 HydrophobicContact CD-CZ2 4.35Å; K432-W447 HydrophobicContact CG-CD2 4.47Å; K432-W447 HydrophobicContact CG-CG 4Å
433	Q	98.3	Very high	94	Very high	32 Å²	32	47 Å²	47	15%	0.15	22%	0.218	C	C	.	.			trans	-73.1	121.3	173	-70	178.9	2.7	0	0	110.5	D262 M263 L435 S436 G446	D262-Q433 PolarHBondContact O-NE2 3.43Å; M263-Q433 HydrophobicContact CE-CG 3.88Å; M263-Q433 HydrophobicContact SD-CB 4.42Å; M263-Q433 HydrophobicContact SD-CG 3.46Å; M263-Q433 WeakPolarHBondContact SD-CG 3.37Å; Q433-L435 PolarHBondContact O-N 3.1Å; Q433-S436 WeakPolarHBondContact O-CB 3.49Å; Q433-S436 PolarHBondContact O-N 2.97Å; Q433-S436 PolarHBondContact O-OG 3.29Å; Q433-G446 PolarHBondContact N-O 3.1Å
434	P	98.3	Very high	94.2	Very high	6 Å²	6	44 Å²	44	4%	0.039	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.8	-177.9	-26.1	36.9	0	0	0	113.6	S267 Y269 L382 R383 K432	S267-P434 WeakPolarHBondContact O-CD 3.44Å; S267-P434 VanDerWaalsContact O-CG 3.27Å; S267-P434 WeakPolarHBondContact O-CG 3.23Å; Y269-P434 HydrophobicContact CD2-CB 4.15Å; Y269-P434 HydrophobicContact CD2-CG 3.88Å; Y269-P434 HydrophobicContact CE2-CB 3.59Å; Y269-P434 HydrophobicContact CE2-CG 3.72Å; Y269-P434 HydrophobicContact CG-CG 4.41Å; L382-P434 PolarHBondContact N-O 3.01Å; L382-P434 VanDerWaalsContact N-O 3.13Å; R383-P434 HydrophobicContact CB-CB 4.29Å; R383-P434 PolarHBondContact N-O 2.64Å; K432-P434 WeakPolarHBondContact O-CD 3.46Å
435	L	97.8	Very high	94.8	Very high	92 Å²	92	43 Å²	43	48%	0.482	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.9	178.9	-57.5	-177.4	0	0	0	113.5	T381 Q433	T381-L435 HydrophobicContact CG2-CD2 4.39Å; Q433-L435 PolarHBondContact O-N 3.1Å
436	S	98	Very high	95.4	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.063	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-72	139.6	-179.8	62.5	0	0	0	0	112.3	L382 R385 Q433	L382-S436 PolarHBondContact N-O 2.73Å; R385-S436 PolarHBondContact NH1-O 2.85Å; Q433-S436 WeakPolarHBondContact O-CB 3.49Å; Q433-S436 PolarHBondContact O-N 2.97Å; Q433-S436 PolarHBondContact O-OG 3.29Å
437	I	98.3	Very high	96.1	Very high	52 Å²	52	37 Å²	37	27%	0.267	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-83.3	164.8	168.2	67.5	168.4	0	0	0	110.4	H379 K439	H379-I437 WeakPolarHBondContact O-CG2 3.32Å; I437-K439 HydrophobicContact CD1-CG 4.17Å; I437-K439 HydrophobicContact CG1-CD 4.46Å; I437-K439 HydrophobicContact CG1-CG 3.86Å; I437-K439 PolarHBondContact O-N 2.93Å
438	Y	98.4	Very high	96.6	Very high	7 Å²	7	36 Å²	36	3%	0.027	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-82.5	117.9	175.1	-166.8	-87.1	0	0	0	110.7	I240 F246 P248 M249 D329 L370 G378 P440 W447	I240-Y438 HydrophobicContact CD1-CD1 4.01Å; I240-Y438 HydrophobicContact CD1-CE1 4.11Å; F246-Y438 HydrophobicContact CD2-CE1 4.06Å; F246-Y438 AromaticContact CE2-CE1 3.89Å; F246-Y438 HydrophobicContact CE2-CE1 3.89Å; F246-Y438 AromaticContact CE2-CZ 3.85Å; F246-Y438 VanDerWaalsContact CE2-OH 3.3Å; F246-Y438 WeakPolarHBondContact CE2-OH 3.33Å; P248-Y438 VanDerWaalsContact CA-OH 3.24Å; P248-Y438 WeakPolarHBondContact CA-OH 3.47Å; M249-Y438 HydrophobicContact CB-CD2 4.17Å; M249-Y438 HydrophobicContact CB-CE1 4.05Å; M249-Y438 HydrophobicContact CB-CE2 3.67Å; M249-Y438 PolarHBondContact N-OH 3.37Å; M249-Y438 HydrophobicContact SD-CD2 4.24Å; M249-Y438 HydrophobicContact SD-CG 4.46Å; D329-Y438 PolarHBondContact OD2-OH 3.18Å; L370-Y438 HydrophobicContact CD1-CD1 3.65Å; L370-Y438 HydrophobicContact CD1-CD2 3.64Å; L370-Y438 HydrophobicContact CD1-CE1 4.08Å; L370-Y438 HydrophobicContact CD1-CE2 4.07Å; L370-Y438 HydrophobicContact CD1-CG 3.41Å; L370-Y438 VanDerWaalsContact CD1-CG 3.41Å; G378-Y438 PolarHBondContact O-N 3.01Å; Y438-P440 HydrophobicContact CD1-CG 4.18Å; Y438-P440 HydrophobicContact CE1-CG 4.16Å; Y438-W447 HydrophobicContact CD2-CH2 4.4Å; Y438-W447 HydrophobicContact CD2-CZ2 4.29Å; Y438-W447 AromaticContact CE2-CH2 3.89Å; Y438-W447 HydrophobicContact CE2-CH2 3.89Å; Y438-W447 HydrophobicContact CE2-CZ2 4.23Å
439	K	97.1	Very high	96.7	Very high	70 Å²	70	37.8 Å²	37.8	30%	0.304	18%	0.184	S	C	.	.			trans	-115.3	102.6	-179.8	-61.2	-168.2	-171.6	175.9	0	111.6	M249 I437 K442 E445	M249-K439 WeakPolarHBondContact CG-O 3.32Å; M249-K439 PolarHBondContact SD-N 3.36Å; M249-K439 VanDerWaalsContact SD-N 3.38Å; I437-K439 HydrophobicContact CD1-CG 4.17Å; I437-K439 HydrophobicContact CG1-CD 4.46Å; I437-K439 HydrophobicContact CG1-CG 3.86Å; I437-K439 PolarHBondContact O-N 2.93Å; K439-K442 HydrophobicContact CB-CB 3.77Å; K439-K442 HydrophobicContact CB-CG 3.66Å; K439-K442 HydrophobicContact CD-CG 4.37Å; K439-K442 PolarHBondContact O-N 2.86Å; K439-E445 HydrophobicContact CD-CB 3.85Å; K439-E445 HydrophobicContact CD-CG 3.99Å; K439-E445 IonicContact NZ-OE2 3.9Å; K439-E445 PolarHBondContact NZ-OE2 2.71Å
440	P	96.9	Very high	96.6	Very high	26 Å²	26	37.7 Å²	37.7	17%	0.169	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	136.5	178.9	-27.4	36.2	0	0	0	113.5	N216 V217 I240 K247 Y438 K442	N216-P440 HydrophobicContact CB-CB 4.2Å; V217-P440 HydrophobicContact CG1-CG 4.08Å; I240-P440 HydrophobicContact CD1-CG 4.27Å; I240-P440 HydrophobicContact CG1-CG 4.41Å; K247-P440 VanDerWaalsContact O-CA 3.28Å; K247-P440 WeakPolarHBondContact O-CA 3.46Å; K247-P440 WeakPolarHBondContact O-CB 3.35Å; Y438-P440 HydrophobicContact CD1-CG 4.18Å; Y438-P440 HydrophobicContact CE1-CG 4.16Å; P440-K442 PolarHBondContact O-N 3Å
441	D	95.9	Very high	96.4	Very high	54 Å²	54	37.1 Å²	37.1	29%	0.289	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	7	-178.9	-151.7	25.1	0	0	0	116.2	N216 K247 P248	N216-D441 HydrophobicContact CB-CB 4.44Å; N216-D441 PolarHBondContact OD1-OD2 3.03Å; K247-D441 HydrophobicContact CB-CB 3.8Å; K247-D441 HydrophobicContact CD-CB 3.63Å; K247-D441 VanDerWaalsContact CD-OD2 3.25Å; K247-D441 WeakPolarHBondContact CD-OD2 3.19Å; K247-D441 HydrophobicContact CG-CB 4.45Å; K247-D441 IonicContact NZ-OD2 3.81Å; K247-D441 PolarHBondContact NZ-OD2 3.04Å; K247-D441 PolarHBondContact O-N 2.64Å; P248-D441 PolarHBondContact O-N 2.98Å
442	K	95.5	Very high	95.9	Very high	110 Å²	110	37.6 Å²	37.6	48%	0.478	18%	0.184	S	C	.	.			trans	-89	142.7	177	-61.4	-59.6	-177.5	171	0	111	L250 K439 P440 E445	L250-K442 WeakPolarHBondContact CA-O 3.18Å; L250-K442 WeakPolarHBondContact CB-O 3.24Å; L250-K442 PolarHBondContact N-O 2.85Å; K439-K442 HydrophobicContact CB-CB 3.77Å; K439-K442 HydrophobicContact CB-CG 3.66Å; K439-K442 HydrophobicContact CD-CG 4.37Å; K439-K442 PolarHBondContact O-N 2.86Å; P440-K442 PolarHBondContact O-N 3Å; K442-E445 HydrophobicContact CB-CB 4.38Å; K442-E445 HydrophobicContact CB-CG 3.85Å; K442-E445 HydrophobicContact CG-CG 4.47Å
443	R	95	Very high	95.2	Very high	134 Å²	134	39.1 Å²	39.1	51%	0.506	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.2	-179.9	-176.5	-179.9	-61.6	-80	1.3	110.3	L250 A251 A252	L250-R443 HydrophobicContact CB-CB 4.13Å; L250-R443 HydrophobicContact CB-CG 4.37Å; L250-R443 WeakPolarHBondContact O-CA 3.41Å; A251-R443 WeakPolarHBondContact O-CG 3.28Å; A251-R443 PolarHBondContact O-NH1 3.06Å; A252-R443 HydrophobicContact CB-CG 4.09Å
444	G	88.8	Confident	94.6	Very high	26 Å²	26	41 Å²	41	27%	0.268	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	87.8	1	171.7	0	0	0	0	0	116.1	L250 G446 W447	L250-G444 PolarHBondContact O-N 2.78Å; L250-G444 VanDerWaalsContact O-N 3.17Å; G444-G446 PolarHBondContact O-N 2.81Å; G444-W447 WeakPolarHBondContact CA-O 3.42Å
445	E	92.3	Very high	93.9	Very high	94 Å²	94	41.8 Å²	41.8	44%	0.439	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	51.6	-179	-67.6	-74.9	155.2	0	0	112.4	M249 K439 K442	M249-E445 HydrophobicContact CE-CB 4.14Å; M249-E445 WeakPolarHBondContact CE-O 3.4Å; K439-E445 HydrophobicContact CD-CB 3.85Å; K439-E445 HydrophobicContact CD-CG 3.99Å; K439-E445 IonicContact NZ-OE2 3.9Å; K439-E445 PolarHBondContact NZ-OE2 2.71Å; K442-E445 HydrophobicContact CB-CB 4.38Å; K442-E445 HydrophobicContact CB-CG 3.85Å; K442-E445 HydrophobicContact CG-CG 4.47Å
446	G	94.3	Very high	93.1	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.7	-7.8	-178.2	0	0	0	0	0	114.7	K432 Q433 G444	K432-G446 CarbonylContact C-O 3.26Å; K432-G446 VanDerWaalsContact CA-O 3.28Å; K432-G446 WeakPolarHBondContact CA-O 3.37Å; Q433-G446 PolarHBondContact N-O 3.1Å; G444-G446 PolarHBondContact O-N 2.81Å
447	W	98.3	Very high	92.2	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.4	173.3	-69.5	13.3	0	0	0	110.7	M249 A251 A252 F367 D368 K432 Y438 G444	M249-W447 HydrophobicContact CB-CE3 4.23Å; M249-W447 HydrophobicContact CB-CH2 4.26Å; M249-W447 HydrophobicContact CB-CZ3 3.99Å; M249-W447 HydrophobicContact CE-CB 4.43Å; M249-W447 HydrophobicContact CE-CD2 4.27Å; M249-W447 HydrophobicContact CE-CG 3.94Å; M249-W447 HydrophobicContact CG-CD2 4.13Å; M249-W447 HydrophobicContact CG-CE3 4.05Å; M249-W447 HydrophobicContact CG-CZ3 4.3Å; M249-W447 HydrophobicContact SD-CD2 4.02Å; M249-W447 HydrophobicContact SD-CE3 4.48Å; M249-W447 HydrophobicContact SD-CG 4.32Å; M249-W447 HydrophobicContact SD-CZ2 4.26Å; A251-W447 VanDerWaalsContact CA-O 3.23Å; A251-W447 WeakPolarHBondContact CA-O 3.45Å; A251-W447 HydrophobicContact CB-CB 4.24Å; A252-W447 PolarHBondContact N-O 3.22Å; F367-W447 HydrophobicContact CD2-CH2 4.23Å; F367-W447 HydrophobicContact CE2-CH2 4.1Å; D368-W447 WeakPolarHBondContact OD2-CZ2 3.5Å; K432-W447 HydrophobicContact CD-CD2 4.14Å; K432-W447 HydrophobicContact CD-CG 4.16Å; K432-W447 HydrophobicContact CD-CZ2 4.35Å; K432-W447 HydrophobicContact CG-CD2 4.47Å; K432-W447 HydrophobicContact CG-CG 4Å; Y438-W447 HydrophobicContact CD2-CH2 4.4Å; Y438-W447 HydrophobicContact CD2-CZ2 4.29Å; Y438-W447 AromaticContact CE2-CH2 3.89Å; Y438-W447 HydrophobicContact CE2-CH2 3.89Å; Y438-W447 HydrophobicContact CE2-CZ2 4.23Å; G444-W447 WeakPolarHBondContact CA-O 3.42Å
448	L	98.1	Very high	91.4	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.063	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	156.5	176	-54	179.1	0	0	0	110.1	A252 A254 I259 D262 M263 M430 I431	A252-L448 HydrophobicContact CB-CD2 3.85Å; A252-L448 CarbonylContact O-C 3.51Å; A252-L448 VanDerWaalsContact O-CA 3.32Å; A252-L448 WeakPolarHBondContact O-CA 3.44Å; A254-L448 HydrophobicContact CB-CB 3.73Å; A254-L448 HydrophobicContact CB-CD1 3.87Å; A254-L448 HydrophobicContact CB-CG 4.29Å; I259-L448 HydrophobicContact CD1-CD1 3.71Å; D262-L448 HydrophobicContact CB-CD1 3.75Å; M263-L448 HydrophobicContact CE-CD1 3.29Å; M263-L448 HydrophobicContact CE-CG 3.75Å; M430-L448 WeakPolarHBondContact CA-O 3.34Å; I431-L448 HydrophobicContact CB-CB 4.31Å; I431-L448 PolarHBondContact N-O 2.87Å; I431-L448 PolarHBondContact O-N 3.06Å
449	K	97.4	Very high	90.9	Very high	38 Å²	38	43.9 Å²	43.9	17%	0.165	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.7	173.8	62.2	174	-177.6	158.4	0	109.6	A251 A252 A254 I429 M430 Y454	A251-K449 HydrophobicContact CB-CB 3.92Å; A251-K449 HydrophobicContact CB-CD 4.32Å; A251-K449 HydrophobicContact CB-CG 3.97Å; A252-K449 WeakPolarHBondContact O-CG 3.4Å; A252-K449 PolarHBondContact O-N 3.17Å; A254-K449 PolarHBondContact N-O 3.36Å; A254-K449 VanDerWaalsContact N-O 3.09Å; I429-K449 WeakPolarHBondContact O-CA 3.12Å; M430-K449 HydrophobicContact SD-CB 3.7Å; K449-Y454 HydrophobicContact CG-CE2 4.45Å; K449-Y454 PolarHBondContact NZ-OH 3.03Å; K449-Y454 VanDerWaalsContact NZ-OH 3.1Å
450	I	95.5	Very high	90.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.2	175.9	-60.2	163.8	0	0	0	106.9	A254 I256 I259 V414 L418 G428 I429 I431	A254-I450 HydrophobicContact CB-CD1 4.04Å; A254-I450 HydrophobicContact CB-CG1 3.53Å; I256-I450 HydrophobicContact CD1-CG2 3.67Å; I256-I450 HydrophobicContact CG1-CD1 4.09Å; I256-I450 HydrophobicContact CG1-CG1 4.41Å; I256-I450 HydrophobicContact CG1-CG2 3.77Å; I259-I450 HydrophobicContact CD1-CD1 4.28Å; V414-I450 HydrophobicContact CG1-CD1 3.51Å; L418-I450 HydrophobicContact CD1-CG2 4.16Å; L418-I450 HydrophobicContact CD2-CG2 3.86Å; G428-I450 WeakPolarHBondContact CA-O 3.43Å; I429-I450 HydrophobicContact CD1-CB 4.38Å; I429-I450 HydrophobicContact CD1-CD1 4.33Å; I429-I450 HydrophobicContact CG1-CB 3.85Å; I429-I450 HydrophobicContact CG1-CD1 4.48Å; I429-I450 PolarHBondContact N-O 2.81Å; I429-I450 PolarHBondContact O-N 2.9Å; I431-I450 HydrophobicContact CD1-CD1 4.36Å; I431-I450 HydrophobicContact CG1-CD1 3.74Å; I431-I450 HydrophobicContact CG1-CG1 4.49Å
451	K	92.7	Very high	90.1	Very high	11 Å²	11	43.6 Å²	43.6	5%	0.048	23%	0.229	C	C	.	.			trans	-131.6	152.4	176.8	-66.2	-169.4	175.8	-162.6	0	109.4	E427 E453 Y454	E427-K451 WeakPolarHBondContact O-CG 3.35Å; E427-K451 WeakPolarHBondContact OE1-CE 3.48Å; E427-K451 IonicContact OE1-NZ 2.93Å; E427-K451 PolarHBondContact OE1-NZ 3.42Å; K451-E453 HydrophobicContact CB-CG 3.89Å; K451-E453 HydrophobicContact CD-CG 4.04Å; K451-E453 VanDerWaalsContact CD-OE1 3.23Å; K451-E453 WeakPolarHBondContact CD-OE1 3.43Å; K451-E453 IonicContact NZ-OE1 3.58Å; K451-E453 PolarHBondContact NZ-OE1 3.4Å; K451-E453 PolarHBondContact O-N 3.31Å; K451-Y454 HydrophobicContact CB-CD2 3.77Å; K451-Y454 HydrophobicContact CB-CE2 3.77Å; K451-Y454 HydrophobicContact CB-CG 4.23Å; K451-Y454 HydrophobicContact CD-CE1 4.46Å; K451-Y454 HydrophobicContact CD-CE2 3.91Å; K451-Y454 HydrophobicContact CG-CD2 4.19Å; K451-Y454 HydrophobicContact CG-CE2 3.69Å; K451-Y454 PolarHBondContact O-N 3.04Å
452	P	88.6	Confident	90.1	Very high	10 Å²	10	41 Å²	41	7%	0.065	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-55.4	-37.1	176	-25.3	35.3	0	0	0	112.6	L418 I422 Y454 V455 M459 A611	L418-P452 HydrophobicContact CD1-CG 4.26Å; I422-P452 HydrophobicContact CD1-CB 4.12Å; I422-P452 HydrophobicContact CD1-CG 3.82Å; I422-P452 HydrophobicContact CG1-CB 4.23Å; I422-P452 HydrophobicContact CG1-CG 3.48Å; I422-P452 VanDerWaalsContact CG1-CG 3.48Å; P452-Y454 PolarHBondContact O-N 2.98Å; P452-Y454 VanDerWaalsContact O-N 3.09Å; P452-V455 PolarHBondContact O-N 3.11Å; P452-M459 HydrophobicContact CB-SD 3.92Å; P452-A611 HydrophobicContact CB-CB 3.39Å; P452-A611 HydrophobicContact CG-CB 3.84Å
453	E	84.7	Confident	90.2	Very high	34 Å²	34	37 Å²	37	16%	0.159	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-64.1	-14.6	179.9	73.5	-160.3	-156.1	0	0	115	K451 M459	K451-E453 HydrophobicContact CB-CG 3.89Å; K451-E453 HydrophobicContact CD-CG 4.04Å; K451-E453 VanDerWaalsContact CD-OE1 3.23Å; K451-E453 WeakPolarHBondContact CD-OE1 3.43Å; K451-E453 IonicContact NZ-OE1 3.58Å; K451-E453 PolarHBondContact NZ-OE1 3.4Å; K451-E453 PolarHBondContact O-N 3.31Å; E453-M459 HydrophobicContact CB-CE 4.2Å; E453-M459 HydrophobicContact CB-CG 4.21Å; E453-M459 HydrophobicContact CB-SD 4.07Å
454	Y	85.2	Confident	90.4	Very high	70 Å²	70	30.7 Å²	30.7	28%	0.275	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-91.2	-13.2	176.6	-56.1	-26.8	0	0	0	112.9	I253 K449 K451 P452	I253-Y454 HydrophobicContact CB-CD2 4.5Å; I253-Y454 HydrophobicContact CB-CE2 4.43Å; I253-Y454 HydrophobicContact CD1-CE1 4.16Å; I253-Y454 HydrophobicContact CD1-CE2 4.23Å; I253-Y454 HydrophobicContact CG1-CD2 4.34Å; I253-Y454 HydrophobicContact CG1-CE2 3.83Å; I253-Y454 HydrophobicContact CG2-CD2 3.57Å; I253-Y454 HydrophobicContact CG2-CE2 3.96Å; I253-Y454 HydrophobicContact CG2-CG 3.93Å; K449-Y454 HydrophobicContact CG-CE2 4.45Å; K449-Y454 PolarHBondContact NZ-OH 3.03Å; K449-Y454 VanDerWaalsContact NZ-OH 3.1Å; K451-Y454 HydrophobicContact CB-CD2 3.77Å; K451-Y454 HydrophobicContact CB-CE2 3.77Å; K451-Y454 HydrophobicContact CB-CG 4.23Å; K451-Y454 HydrophobicContact CD-CE1 4.46Å; K451-Y454 HydrophobicContact CD-CE2 3.91Å; K451-Y454 HydrophobicContact CG-CD2 4.19Å; K451-Y454 HydrophobicContact CG-CE2 3.69Å; K451-Y454 PolarHBondContact O-N 3.04Å; P452-Y454 PolarHBondContact O-N 2.98Å; P452-Y454 VanDerWaalsContact O-N 3.09Å
455	V	84	Confident	90.9	Very high	23 Å²	23	29.4 Å²	29.4	14%	0.139	16%	0.162	C	C	.	.	S	Bend	trans	-97.8	124.8	-178.5	-171.7	0	0	0	0	109.3	I256 L418 P452 G457 L458 L615	I256-V455 HydrophobicContact CD1-CG2 3.58Å; L418-V455 HydrophobicContact CD2-CG2 4.25Å; P452-V455 PolarHBondContact O-N 3.11Å; V455-G457 PolarHBondContact O-N 2.64Å; V455-L458 HydrophobicContact CB-CB 4.37Å; V455-L458 HydrophobicContact CB-CD1 3.5Å; V455-L458 VanDerWaalsContact CB-CD1 3.5Å; V455-L458 HydrophobicContact CB-CG 3.79Å; V455-L458 HydrophobicContact CG1-CD1 3.71Å; V455-L458 HydrophobicContact CG1-CG 3.74Å; V455-L458 HydrophobicContact CG2-CD1 3.87Å; V455-L458 PolarHBondContact O-N 3Å; V455-L615 HydrophobicContact CG1-CD1 3.94Å; V455-L615 HydrophobicContact CG1-CD2 4.22Å
456	T	80.4	Confident	91.2	Very high	136 Å²	136	25 Å²	25	83%	0.834	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	130.6	178.9	-54.8	0	0	0	0	110.5	L458	T456-L458 PolarHBondContact O-N 3.12Å
457	G	78.9	Confident	91.3	Very high	51 Å²	51	24.9 Å²	24.9	53%	0.526	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-11	175	0	0	0	0	0	116.4	V455	V455-G457 PolarHBondContact O-N 2.64Å
458	L	82.3	Confident	91.3	Very high	7 Å²	7	24.8 Å²	24.8	4%	0.037	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-28.6	178.2	-69.6	-168.7	0	0	0	114	L418 I422 V455 T456 K613 L615	L418-L458 HydrophobicContact CD2-CD1 4.49Å; I422-L458 HydrophobicContact CD1-CD1 4.39Å; V455-L458 HydrophobicContact CB-CB 4.37Å; V455-L458 HydrophobicContact CB-CD1 3.5Å; V455-L458 VanDerWaalsContact CB-CD1 3.5Å; V455-L458 HydrophobicContact CB-CG 3.79Å; V455-L458 HydrophobicContact CG1-CD1 3.71Å; V455-L458 HydrophobicContact CG1-CG 3.74Å; V455-L458 HydrophobicContact CG2-CD1 3.87Å; V455-L458 PolarHBondContact O-N 3Å; T456-L458 PolarHBondContact O-N 3.12Å; L458-K613 HydrophobicContact CD2-CB 4.4Å; L458-L615 HydrophobicContact CD1-CB 4.12Å; L458-L615 HydrophobicContact CD2-CB 4.09Å; L458-L615 HydrophobicContact CD2-CD1 4.45Å
459	M	87.1	Confident	91.2	Very high	10 Å²	10	24.2 Å²	24.2	5%	0.049	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-85.2	135.4	-179.3	-59	-54.7	-73	0	0	110.8	P452 E453 E461 K560 A561 L610 A611	P452-M459 HydrophobicContact CB-SD 3.92Å; E453-M459 HydrophobicContact CB-CE 4.2Å; E453-M459 HydrophobicContact CB-CG 4.21Å; E453-M459 HydrophobicContact CB-SD 4.07Å; M459-E461 PolarHBondContact O-N 2.76Å; M459-K560 HydrophobicContact CB-CG 4.34Å; M459-K560 HydrophobicContact CG-CD 4.31Å; M459-K560 HydrophobicContact CG-CG 4.26Å; M459-A561 WeakPolarHBondContact CE-O 3.31Å; M459-L610 HydrophobicContact CE-CB 3.79Å; M459-A611 HydrophobicContact CE-CB 4.28Å; M459-A611 HydrophobicContact SD-CB 3.71Å
460	D	87.3	Confident	90.9	Very high	19 Å²	19	23 Å²	23	10%	0.102	13%	0.132	C	C	.	.			trans	-73.3	115.2	161.6	-68.9	-34.6	0	0	0	108.1	L602 K605 L610 S612 K613	D460-L602 HydrophobicContact CB-CD2 3.88Å; D460-K605 IonicContact OD1-NZ 3.32Å; D460-K605 IonicContact OD2-NZ 3.49Å; D460-K605 PolarHBondContact OD2-NZ 3.38Å; D460-L610 HydrophobicContact CB-CD2 4.41Å; D460-L610 PolarHBondContact N-O 2.9Å; D460-S612 PolarHBondContact OD2-OG 3.42Å; D460-S612 VanDerWaalsContact OD2-OG 3.08Å; D460-K613 WeakPolarHBondContact OD1-CE 3Å; D460-K613 IonicContact OD1-NZ 2.68Å; D460-K613 PolarHBondContact OD1-NZ 3.47Å
461	E	90.6	Very high	90.6	Very high	71 Å²	71	25.8 Å²	25.8	33%	0.332	14%	0.142	S	C	.	.			trans	-94.1	150.7	-175.7	-64.2	175.2	150.2	0	0	110.8	M459 Q558 K560	M459-E461 PolarHBondContact O-N 2.76Å; E461-Q558 HydrophobicContact CB-CG 4.1Å; E461-Q558 PolarHBondContact OE2-NE2 3.08Å; E461-K560 WeakPolarHBondContact OE1-CE 3.48Å; E461-K560 IonicContact OE1-NZ 2.81Å
462	L	96	Very high	90.1	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.5	-174.2	-64.9	90.4	0	0	0	110.7	I464 L503 Q558 I559 L576 M594 L599 L602 L610	L462-I464 HydrophobicContact CB-CG2 4.22Å; L462-I464 PolarHBondContact O-N 3.39Å; L462-L503 HydrophobicContact CD2-CD2 4.31Å; L462-Q558 CarbonylContact O-C 3.51Å; L462-I559 HydrophobicContact CB-CB 4.41Å; L462-I559 PolarHBondContact N-O 3.44Å; L462-I559 PolarHBondContact O-N 3.46Å; L462-L576 HydrophobicContact CD1-CD2 4.43Å; L462-L576 HydrophobicContact CD2-CD1 4.24Å; L462-L576 HydrophobicContact CD2-CD2 3.79Å; L462-M594 HydrophobicContact CB-SD 3.7Å; L462-M594 HydrophobicContact CD2-CE 3.95Å; L462-M594 HydrophobicContact CD2-SD 3.83Å; L462-M594 HydrophobicContact CG-CE 4.3Å; L462-M594 HydrophobicContact CG-SD 4.06Å; L462-L599 HydrophobicContact CD2-CD1 4.09Å; L462-L602 HydrophobicContact CG-CD1 4.33Å; L462-L610 HydrophobicContact CD1-CD1 3.59Å; L462-L610 HydrophobicContact CD1-CD2 4.07Å; L462-L610 HydrophobicContact CD1-CG 4.48Å
463	D	97.8	Very high	89.5	Confident	24 Å²	24	30.9 Å²	30.9	13%	0.128	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	96.6	172.5	-72.2	-39.7	0	0	0	109.9	I556 Q558 R585 K588 M594	D463-I556 HydrophobicContact CB-CG2 3.86Å; D463-Q558 WeakPolarHBondContact OD1-CB 3.41Å; D463-Q558 WeakPolarHBondContact OD1-CG 3.43Å; D463-R585 IonicContact OD1-CZ 2.93Å; D463-R585 IonicContact OD1-NH1 3.37Å; D463-R585 PolarHBondContact OD1-NH1 3.31Å; D463-R585 IonicContact OD2-CZ 3.8Å; D463-R585 IonicContact OD2-NH1 3.84Å; D463-R585 PolarHBondContact OD2-NH1 3.21Å; D463-K588 IonicContact OD2-NZ 2.94Å; D463-K588 PolarHBondContact OD2-NZ 2.98Å; D463-M594 WeakPolarHBondContact O-CB 3.28Å; D463-M594 WeakPolarHBondContact O-CG 3.41Å; D463-M594 PolarHBondContact O-N 2.89Å
464	I	98.3	Very high	89.2	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	155	-175	59.1	-179.6	0	0	0	112.6	L462 C485 V487 L503 I556 V557 I559 L576 M594	L462-I464 HydrophobicContact CB-CG2 4.22Å; L462-I464 PolarHBondContact O-N 3.39Å; I464-C485 HydrophobicContact CB-CB 4.42Å; I464-C485 HydrophobicContact CD1-CB 3.33Å; I464-C485 HydrophobicContact CG1-CB 3.77Å; I464-V487 HydrophobicContact CG2-CG1 3.87Å; I464-L503 HydrophobicContact CD1-CD2 4.37Å; I464-L503 HydrophobicContact CG2-CD2 4.22Å; I464-I556 WeakPolarHBondContact O-CA 3.47Å; I464-V557 HydrophobicContact CG1-CG2 4.22Å; I464-V557 PolarHBondContact N-O 3.13Å; I464-V557 WeakPolarHBondContact O-CG2 3.26Å; I464-V557 PolarHBondContact O-N 3.39Å; I464-I559 HydrophobicContact CD1-CB 4.33Å; I464-I559 HydrophobicContact CD1-CG1 3.56Å; I464-I559 HydrophobicContact CG1-CB 4.49Å; I464-I559 HydrophobicContact CG1-CG1 3.58Å; I464-L576 HydrophobicContact CD1-CD1 4.35Å; I464-M594 HydrophobicContact CG2-CG 3.66Å; I464-M594 HydrophobicContact CG2-SD 3.22Å; I464-M594 WeakPolarHBondContact CG2-SD 3.37Å
465	L	98.6	Very high	88.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.7	-175.8	-165.9	71.1	0	0	0	111.5	V467 C485 A486 F500 P551 I556 W590 C593	L465-V467 HydrophobicContact CD2-CG1 4.4Å; L465-C485 CarbonylContact O-C 3.59Å; L465-C485 WeakPolarHBondContact O-CA 3.46Å; L465-A486 PolarHBondContact N-O 3.1Å; L465-A486 PolarHBondContact O-N 2.83Å; L465-F500 HydrophobicContact CB-CD1 4.46Å; L465-F500 HydrophobicContact CB-CE1 4.3Å; L465-F500 HydrophobicContact CD2-CD1 3.95Å; L465-F500 HydrophobicContact CD2-CE1 3.5Å; L465-F500 VanDerWaalsContact CD2-CE1 3.5Å; L465-F500 HydrophobicContact CD2-CE2 4.48Å; L465-F500 HydrophobicContact CD2-CZ 3.8Å; L465-P551 HydrophobicContact CD2-CB 3.65Å; L465-P551 HydrophobicContact CD2-CG 4.47Å; L465-I556 HydrophobicContact CD1-CG1 3.7Å; L465-W590 HydrophobicContact CD1-CB 3.85Å; L465-C593 HydrophobicContact CB-CB 4.16Å; L465-C593 PolarHBondContact N-SG 3.24Å; L465-C593 VanDerWaalsContact N-SG 3.43Å
466	I	98.4	Very high	88.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	129.5	166.3	-66.3	173.4	0	0	0	108.8	F483 L518 L522 W526 I549 S554 V555 V557	I466-F483 HydrophobicContact CD1-CB 4.3Å; I466-F483 HydrophobicContact CD1-CD1 4.21Å; I466-F483 HydrophobicContact CD1-CD2 4.21Å; I466-F483 HydrophobicContact CD1-CG 3.97Å; I466-F483 HydrophobicContact CG1-CB 4.11Å; I466-F483 HydrophobicContact CG1-CG 4.32Å; I466-F483 HydrophobicContact CG2-CB 4.1Å; I466-F483 HydrophobicContact CG2-CD1 3.97Å; I466-F483 HydrophobicContact CG2-CG 4.28Å; I466-L518 HydrophobicContact CD1-CD2 4Å; I466-L522 HydrophobicContact CD1-CD1 4.4Å; I466-W526 HydrophobicContact CG2-CH2 3.89Å; I466-I549 HydrophobicContact CG2-CG2 4.47Å; I466-S554 VanDerWaalsContact O-CB 3.26Å; I466-S554 WeakPolarHBondContact O-CB 3.5Å; I466-S554 PolarHBondContact O-OG 3.15Å; I466-V555 PolarHBondContact N-O 3.48Å; I466-V555 VanDerWaalsContact N-O 3.15Å; I466-V557 HydrophobicContact CD1-CG1 3.74Å; I466-V557 HydrophobicContact CG1-CG1 4.13Å; I466-V557 HydrophobicContact CG1-CG2 4.09Å
467	V	98.3	Very high	88.2	Confident	1 Å²	1	28 Å²	28	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	-12	177	-65.3	0	0	0	0	113.2	L465 L484 A486 F500 T502 I538 Y548 I549	L465-V467 HydrophobicContact CD2-CG1 4.4Å; V467-L484 HydrophobicContact CG2-CB 4.49Å; V467-L484 HydrophobicContact CG2-CD2 4.5Å; V467-L484 HydrophobicContact CG2-CG 4.14Å; V467-L484 WeakPolarHBondContact CG2-O 3.5Å; V467-L484 PolarHBondContact N-O 3.15Å; V467-A486 HydrophobicContact CB-CB 4.32Å; V467-A486 HydrophobicContact CG1-CB 3.68Å; V467-A486 HydrophobicContact CG2-CB 3.67Å; V467-F500 HydrophobicContact CG1-CB 4.37Å; V467-T502 HydrophobicContact CG2-CG2 4.28Å; V467-I538 HydrophobicContact CB-CD1 3.94Å; V467-I538 HydrophobicContact CB-CG1 4.13Å; V467-I538 HydrophobicContact CB-CG2 4.04Å; V467-I538 HydrophobicContact CG1-CG1 4.34Å; V467-I538 HydrophobicContact CG2-CG2 3.93Å; V467-Y548 WeakPolarHBondContact O-CA 3.4Å; V467-I549 PolarHBondContact O-N 3.23Å; V467-I549 VanDerWaalsContact O-N 3.14Å
468	G	97.4	Very high	88.1	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	164	177.6	0	0	0	0	0	113.9	F483 L484 V547	G468-F483 CarbonylContact O-C 3.52Å; G468-F483 VanDerWaalsContact O-CA 3.27Å; G468-F483 WeakPolarHBondContact O-CA 3.34Å; G468-L484 PolarHBondContact N-O 3.15Å; G468-L484 VanDerWaalsContact N-O 3.13Å; G468-L484 PolarHBondContact O-N 3.43Å; G468-V547 CarbonylContact C-O 3.59Å; G468-V547 WeakPolarHBondContact CA-O 3.08Å
469	G	95.4	Very high	88.2	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.3	-178.3	0	0	0	0	0	113	E546 V547	G469-E546 PolarHBondContact O-N 3.43Å; G469-E546 VanDerWaalsContact O-N 3.14Å; G469-V547 PolarHBondContact N-O 3.06Å; G469-V547 PolarHBondContact O-N 2.89Å
470	Y	92.3	Very high	88.2	Confident	13 Å²	13	29 Å²	29	5%	0.051	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.4	171.9	-54.7	-96.2	0	0	0	110.4	G472 M480 S481 H482 L484 R505 E543 K544 P545 E546	Y470-G472 PolarHBondContact O-N 2.94Å; Y470-M480 VanDerWaalsContact C-SD 3.57Å; Y470-S481 PolarHBondContact O-N 2.95Å; Y470-S481 PolarHBondContact O-OG 3.18Å; Y470-H482 HydrophobicContact CD2-CB 3.98Å; Y470-H482 WeakPolarHBondContact CD2-O 3.28Å; Y470-H482 HydrophobicContact CG-CB 4.44Å; Y470-H482 PolarHBondContact N-O 2.9Å; Y470-L484 HydrophobicContact CE2-CB 3.98Å; Y470-R505 HydrophobicContact CD2-CG 4.15Å; Y470-R505 HydrophobicContact CE2-CG 3.72Å; Y470-E543 WeakPolarHBondContact OH-CG 3.47Å; Y470-E543 PolarHBondContact OH-OE1 2.87Å; Y470-E543 VanDerWaalsContact OH-OE1 3.12Å; Y470-K544 WeakPolarHBondContact CE1-O 3.25Å; Y470-K544 PolarHBondContact OH-O 3.23Å; Y470-P545 HydrophobicContact CE2-CB 4.47Å; Y470-P545 WeakPolarHBondContact OH-CA 3.4Å; Y470-E546 HydrophobicContact CD1-CG 4.13Å
471	W	87.8	Confident	88	Confident	59 Å²	59	28.1 Å²	28.1	22%	0.223	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.1	176	-67.5	109.3	0	0	0	111.2	R113 P115 G478 M480 E546	R113-W471 HydrophobicContact CB-CB 3.85Å; R113-W471 WeakPolarHBondContact O-CB 3.07Å; P115-W471 HydrophobicContact CG-CD2 4.44Å; P115-W471 HydrophobicContact CG-CE3 4.19Å; P115-W471 HydrophobicContact CG-CH2 3.78Å; P115-W471 HydrophobicContact CG-CZ2 4.03Å; P115-W471 HydrophobicContact CG-CZ3 3.86Å; W471-G478 WeakPolarHBondContact CZ3-O 3.14Å; W471-M480 HydrophobicContact CD2-CE 3.49Å; W471-M480 VanDerWaalsContact CD2-CE 3.49Å; W471-M480 HydrophobicContact CD2-SD 4.19Å; W471-M480 HydrophobicContact CE3-CE 3.79Å; W471-M480 HydrophobicContact CE3-SD 4.31Å; W471-M480 HydrophobicContact CG-CE 4.16Å; W471-M480 HydrophobicContact CH2-CE 3.64Å; W471-M480 HydrophobicContact CZ2-CE 3.33Å; W471-M480 HydrophobicContact CZ3-CE 3.85Å; W471-E546 WeakPolarHBondContact CB-OE2 3.44Å; W471-E546 PolarHBondContact N-OE2 3.43Å
472	G	82.8	Confident	88	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.01	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-76.1	171	-179.9	0	0	0	0	0	115	Y470 R476 M479 S481	Y470-G472 PolarHBondContact O-N 2.94Å; G472-R476 CarbonylContact C-O 3.59Å; G472-R476 VanDerWaalsContact CA-O 3.22Å; G472-R476 WeakPolarHBondContact CA-O 3.44Å; G472-M479 PolarHBondContact N-O 2.75Å; G472-S481 WeakPolarHBondContact CA-OG 3.48Å; G472-S481 PolarHBondContact N-OG 3.29Å
473	K	76.9	Confident	88	Confident	126 Å²	126	28.1 Å²	28.1	55%	0.548	16%	0.161	S	C	.	.			trans	-130.6	158.1	177.8	66.8	177.5	-175.2	175.3	0	110.6	R113 S475 R476	R113-K473 HydrophobicContact CG-CB 4.48Å; K473-S475 PolarHBondContact O-N 2.93Å; K473-R476 PolarHBondContact O-N 3.21Å
474	G	78.5	Confident	88	Confident	28 Å²	28	27 Å²	27	29%	0.289	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	59.6	-127	-178.6	0	0	0	0	0	112.3	G123 R476 G477	G123-G474 PolarHBondContact O-N 3.33Å; G474-R476 PolarHBondContact O-N 3.2Å; G474-R476 VanDerWaalsContact O-N 3.12Å; G474-G477 PolarHBondContact O-N 3.19Å
475	S	71.3	Confident	88	Confident	110 Å²	110	26.9 Å²	26.9	77%	0.769	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-64.1	-15.3	-178.2	55.5	0	0	0	0	114.7	K473	K473-S475 PolarHBondContact O-N 2.93Å
476	R	77.8	Confident	88	Confident	46 Å²	46	26.9 Å²	26.9	17%	0.174	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-107.3	17.8	175.8	-58.6	174.1	78	-168.2	6.9	111.7	G472 K473 G474 M479 S481 G507 M512 L515	G472-R476 CarbonylContact C-O 3.59Å; G472-R476 VanDerWaalsContact CA-O 3.22Å; G472-R476 WeakPolarHBondContact CA-O 3.44Å; K473-R476 PolarHBondContact O-N 3.21Å; G474-R476 PolarHBondContact O-N 3.2Å; G474-R476 VanDerWaalsContact O-N 3.12Å; R476-M479 HydrophobicContact CB-CG 4.38Å; R476-M479 VanDerWaalsContact O-CG 3.26Å; R476-M479 WeakPolarHBondContact O-CG 3.3Å; R476-S481 PolarHBondContact NH1-O 3.3Å; R476-S481 VanDerWaalsContact NH1-O 3.15Å; R476-S481 PolarHBondContact NH2-O 3.13Å; R476-G507 PolarHBondContact NH1-O 2.81Å; R476-M512 HydrophobicContact CG-CE 4.33Å; R476-M512 HydrophobicContact CG-SD 4.01Å; R476-L515 VanDerWaalsContact NH2-CD1 3.3Å
477	G	79.1	Confident	88	Confident	20 Å²	20	26.9 Å²	26.9	21%	0.206	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-59.2	142.4	174.7	0	0	0	0	0	112.4	A122 G474 M479	A122-G477 CarbonylContact O-C 3.59Å; A122-G477 WeakPolarHBondContact O-CA 3.5Å; G474-G477 PolarHBondContact O-N 3.19Å; G477-M479 VanDerWaalsContact C-N 3.26Å; G477-M479 PolarHBondContact O-N 2.91Å
478	G	77	Confident	88	Confident	37 Å²	37	26.8 Å²	26.8	38%	0.381	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	0.5	177.9	0	0	0	0	0	116.2	W471	W471-G478 WeakPolarHBondContact CZ3-O 3.14Å
479	M	84.1	Confident	88	Confident	44 Å²	44	31.2 Å²	31.2	22%	0.217	18%	0.175	C	C	.	.	S	Bend	trans	-127.9	162.2	174.3	62.6	-179.8	70.5	0	0	111.6	G472 R476 G477 S481 M512 L515	G472-M479 PolarHBondContact N-O 2.75Å; R476-M479 HydrophobicContact CB-CG 4.38Å; R476-M479 VanDerWaalsContact O-CG 3.26Å; R476-M479 WeakPolarHBondContact O-CG 3.3Å; G477-M479 VanDerWaalsContact C-N 3.26Å; G477-M479 PolarHBondContact O-N 2.91Å; M479-S481 PolarHBondContact O-N 2.9Å; M479-M512 HydrophobicContact CE-CE 4.08Å; M479-M512 HydrophobicContact SD-CE 4.04Å; M479-L515 HydrophobicContact SD-CD2 3.79Å
480	M	87.3	Confident	87.9	Confident	7 Å²	7	37.7 Å²	37.7	3%	0.034	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	124.4	169.1	-67.7	-61.4	161.1	0	0	109.3	Y470 W471 F483 W526 V547	Y470-M480 VanDerWaalsContact C-SD 3.57Å; W471-M480 HydrophobicContact CD2-CE 3.49Å; W471-M480 VanDerWaalsContact CD2-CE 3.49Å; W471-M480 HydrophobicContact CD2-SD 4.19Å; W471-M480 HydrophobicContact CE3-CE 3.79Å; W471-M480 HydrophobicContact CE3-SD 4.31Å; W471-M480 HydrophobicContact CG-CE 4.16Å; W471-M480 HydrophobicContact CH2-CE 3.64Å; W471-M480 HydrophobicContact CZ2-CE 3.33Å; W471-M480 HydrophobicContact CZ3-CE 3.85Å; M480-F483 HydrophobicContact CB-CE1 3.75Å; M480-F483 HydrophobicContact CB-CZ 4.16Å; M480-W526 HydrophobicContact CG-CZ2 4.33Å; M480-V547 HydrophobicContact CE-CG2 3.49Å; M480-V547 VanDerWaalsContact CE-CG2 3.49Å; M480-V547 HydrophobicContact SD-CG2 4.09Å
481	S	82.5	Confident	88	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-25.4	-173.9	63.2	0	0	0	0	113.2	Y470 G472 R476 M479 G507	Y470-S481 PolarHBondContact O-N 2.95Å; Y470-S481 PolarHBondContact O-OG 3.18Å; G472-S481 WeakPolarHBondContact CA-OG 3.48Å; G472-S481 PolarHBondContact N-OG 3.29Å; R476-S481 PolarHBondContact NH1-O 3.3Å; R476-S481 VanDerWaalsContact NH1-O 3.15Å; R476-S481 PolarHBondContact NH2-O 3.13Å; M479-S481 PolarHBondContact O-N 2.9Å; S481-G507 WeakPolarHBondContact O-CA 3.49Å
482	H	90.4	Very high	88.2	Confident	70 Å²	70	39.5 Å²	39.5	32%	0.324	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146	174.7	-52.4	69.5	0	0	0	107.6	Y470 R505 V506	Y470-H482 HydrophobicContact CD2-CB 3.98Å; Y470-H482 WeakPolarHBondContact CD2-O 3.28Å; Y470-H482 HydrophobicContact CG-CB 4.44Å; Y470-H482 PolarHBondContact N-O 2.9Å; H482-R505 HydrophobicContact CB-CG 4.16Å; H482-V506 CarbonylContact C-O 3.52Å; H482-V506 WeakPolarHBondContact CA-O 3.49Å
483	F	95.9	Very high	88.6	Confident	1 Å²	1	46 Å²	46	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.6	179.1	-56.5	-70.5	0	0	0	109	I466 G468 M480 R505 V506 L515 L518 W526 I581	I466-F483 HydrophobicContact CD1-CB 4.3Å; I466-F483 HydrophobicContact CD1-CD1 4.21Å; I466-F483 HydrophobicContact CD1-CD2 4.21Å; I466-F483 HydrophobicContact CD1-CG 3.97Å; I466-F483 HydrophobicContact CG1-CB 4.11Å; I466-F483 HydrophobicContact CG1-CG 4.32Å; I466-F483 HydrophobicContact CG2-CB 4.1Å; I466-F483 HydrophobicContact CG2-CD1 3.97Å; I466-F483 HydrophobicContact CG2-CG 4.28Å; G468-F483 CarbonylContact O-C 3.52Å; G468-F483 VanDerWaalsContact O-CA 3.27Å; G468-F483 WeakPolarHBondContact O-CA 3.34Å; M480-F483 HydrophobicContact CB-CE1 3.75Å; M480-F483 HydrophobicContact CB-CZ 4.16Å; F483-R505 WeakPolarHBondContact O-CA 3.44Å; F483-V506 HydrophobicContact CB-CG1 4.39Å; F483-V506 PolarHBondContact N-O 2.68Å; F483-V506 PolarHBondContact O-N 3.15Å; F483-L515 HydrophobicContact CE2-CD1 3.67Å; F483-L515 HydrophobicContact CZ-CD1 3.91Å; F483-L518 HydrophobicContact CE2-CD2 3.89Å; F483-L518 HydrophobicContact CZ-CD2 3.86Å; F483-L518 HydrophobicContact CZ-CG 4.49Å; F483-W526 HydrophobicContact CD1-CH2 4.35Å; F483-W526 HydrophobicContact CD1-CZ2 4.37Å; F483-W526 HydrophobicContact CE1-CZ2 4.19Å; F483-I581 HydrophobicContact CD2-CD1 4.2Å
484	L	98.2	Very high	89.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	124	164.9	-176.6	60.5	0	0	0	107.2	V467 G468 Y470 T502 E543 P545 Y570	V467-L484 HydrophobicContact CG2-CB 4.49Å; V467-L484 HydrophobicContact CG2-CD2 4.5Å; V467-L484 HydrophobicContact CG2-CG 4.14Å; V467-L484 WeakPolarHBondContact CG2-O 3.5Å; V467-L484 PolarHBondContact N-O 3.15Å; G468-L484 PolarHBondContact N-O 3.15Å; G468-L484 VanDerWaalsContact N-O 3.13Å; G468-L484 PolarHBondContact O-N 3.43Å; Y470-L484 HydrophobicContact CE2-CB 3.98Å; L484-T502 HydrophobicContact CD1-CG2 4.25Å; L484-T502 HydrophobicContact CD2-CG2 3.69Å; L484-T502 HydrophobicContact CG-CG2 3.94Å; L484-E543 HydrophobicContact CD1-CG 4.48Å; L484-P545 HydrophobicContact CB-CB 4.33Å; L484-P545 HydrophobicContact CD2-CB 3.95Å; L484-P545 HydrophobicContact CD2-CG 3.82Å; L484-Y570 HydrophobicContact CD1-CD1 4.14Å; L484-Y570 HydrophobicContact CD1-CE1 3.78Å
485	C	98.4	Very high	89.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	152.7	-179.8	-61.9	0	0	0	0	111.3	I464 L465 L503 S504	I464-C485 HydrophobicContact CB-CB 4.42Å; I464-C485 HydrophobicContact CD1-CB 3.33Å; I464-C485 HydrophobicContact CG1-CB 3.77Å; L465-C485 CarbonylContact O-C 3.59Å; L465-C485 WeakPolarHBondContact O-CA 3.46Å; C485-L503 PolarHBondContact O-N 3.46Å; C485-S504 PolarHBondContact N-O 2.97Å; C485-S504 PolarHBondContact O-N 3.27Å
486	A	98.6	Very high	91.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	159.5	-177.2	0	0	0	0	0	112	L465 V467 F500 H501 C593	L465-A486 PolarHBondContact N-O 3.1Å; L465-A486 PolarHBondContact O-N 2.83Å; V467-A486 HydrophobicContact CB-CB 4.32Å; V467-A486 HydrophobicContact CG1-CB 3.68Å; V467-A486 HydrophobicContact CG2-CB 3.67Å; A486-F500 HydrophobicContact CB-CB 3.93Å; A486-H501 CarbonylContact C-O 3.58Å; A486-H501 WeakPolarHBondContact CA-O 3.41Å; A486-H501 VanDerWaalsContact CB-O 3.24Å; A486-H501 WeakPolarHBondContact CB-O 3.47Å; A486-C593 PolarHBondContact O-SG 2.86Å
487	V	98.4	Very high	92	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	154.7	170.4	-61.6	0	0	0	0	109.8	I464 F500 H501 L503 T572 M594 L596 L599	I464-V487 HydrophobicContact CG2-CG1 3.87Å; V487-F500 CarbonylContact O-C 3.14Å; V487-F500 VanDerWaalsContact O-CA 3.28Å; V487-F500 WeakPolarHBondContact O-CA 3.31Å; V487-H501 HydrophobicContact CG2-CB 4.25Å; V487-H501 PolarHBondContact N-O 3.26Å; V487-H501 PolarHBondContact O-N 2.94Å; V487-L503 HydrophobicContact CG1-CD2 3.9Å; V487-T572 HydrophobicContact CG2-CG2 3.76Å; V487-M594 WeakPolarHBondContact CA-O 3.16Å; V487-M594 HydrophobicContact CB-CG 4.24Å; V487-M594 WeakPolarHBondContact CB-O 3.2Å; V487-M594 HydrophobicContact CG1-CG 3.58Å; V487-M594 HydrophobicContact CG1-SD 3.93Å; V487-L596 HydrophobicContact CG2-CD2 3.59Å; V487-L596 HydrophobicContact CG2-CG 3.96Å; V487-L599 HydrophobicContact CG1-CD2 4.36Å; V487-L599 HydrophobicContact CG2-CD2 4.25Å
488	A	98.2	Very high	92.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	145.8	179.7	0	0	0	0	0	112.3	P497 F500 C593 M594 T595 L596	A488-P497 HydrophobicContact CB-CB 3.76Å; A488-P497 HydrophobicContact CB-CG 3.89Å; A488-F500 HydrophobicContact CB-CD1 4.12Å; A488-F500 HydrophobicContact CB-CE1 3.76Å; A488-F500 HydrophobicContact CB-CZ 4.31Å; A488-C593 HydrophobicContact CB-CB 4.33Å; A488-M594 PolarHBondContact N-O 3.36Å; A488-T595 CarbonylContact O-C 3.52Å; A488-T595 VanDerWaalsContact O-CA 3.23Å; A488-T595 WeakPolarHBondContact O-CA 3.42Å; A488-L596 PolarHBondContact O-N 2.95Å
489	E	97	Very high	93.7	Very high	92 Å²	92	50.6 Å²	50.6	43%	0.43	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-74.9	139.5	156.2	-169.3	174.7	159.8	0	0	108.9	P491 V499 H501	E489-P491 VanDerWaalsContact O-CD 3.31Å; E489-P491 WeakPolarHBondContact O-CD 3.41Å; E489-V499 HydrophobicContact CB-CB 4.16Å; E489-V499 PolarHBondContact N-O 3.13Å; E489-H501 IonicContact OE2-NE2 2.61Å
490	K	93.9	Very high	94.4	Very high	137 Å²	137	48.5 Å²	48.5	60%	0.596	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-68.2	117.2	-176.3	-173.5	168.8	-177.2	172.2	0	109.9	D597	K490-D597 WeakPolarHBondContact CD-OD2 3.49Å; K490-D597 IonicContact NZ-OD2 2.81Å; K490-D597 PolarHBondContact NZ-OD2 3.04Å
491	P	93	Very high	95	Very high	38 Å²	38	49.4 Å²	49.4	25%	0.247	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-75.5	162.2	-178.5	31.6	-34.7	0	0	0	111.2	E489 E495 P497	E489-P491 VanDerWaalsContact O-CD 3.31Å; E489-P491 WeakPolarHBondContact O-CD 3.41Å; P491-E495 HydrophobicContact CB-CB 4.25Å; P491-E495 VanDerWaalsContact CG-O 3.28Å; P491-E495 WeakPolarHBondContact CG-O 3.42Å; P491-P497 HydrophobicContact CG-CG 4.04Å
492	P	92.7	Very high	95.7	Very high	71 Å²	71	49.4 Å²	49.4	46%	0.461	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-53.7	151.7	164.3	-23.3	34	0	0	0	111.7	G494 E495	P492-G494 PolarHBondContact O-N 3.19Å; P492-E495 PolarHBondContact O-N 2.88Å
493	P	91.5	Very high	96.1	Very high	138 Å²	138	46 Å²	46	90%	0.896	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	126.2	178.9	-25.8	34.5	0	0	0	112.4
494	G	89.2	Confident	96.1	Very high	90 Å²	90	46.2 Å²	46.2	93%	0.928	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-9.2	179.4	0	0	0	0	0	115.2	P492	P492-G494 PolarHBondContact O-N 3.19Å
495	E	94.3	Very high	96	Very high	129 Å²	129	51.6 Å²	51.6	60%	0.603	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-97.9	159	175.8	-66.5	-175.2	-151	0	0	112.2	P491 P492	P491-E495 HydrophobicContact CB-CB 4.25Å; P491-E495 VanDerWaalsContact CG-O 3.28Å; P491-E495 WeakPolarHBondContact CG-O 3.42Å; P492-E495 PolarHBondContact O-N 2.88Å
496	K	95.5	Very high	95.7	Very high	115 Å²	115	51.7 Å²	51.7	50%	0.5	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-91.5	150	173.4	-64.9	-178.2	179.6	-165.7	0	109.7	S498 W590 H591	K496-S498 PolarHBondContact O-N 2.68Å; K496-W590 HydrophobicContact CB-CH2 3.79Å; K496-W590 HydrophobicContact CB-CZ2 4.09Å; K496-W590 HydrophobicContact CD-CH2 4.34Å; K496-W590 HydrophobicContact CD-CZ2 3.75Å; K496-H591 HydrophobicContact CB-CB 4.11Å; K496-H591 HydrophobicContact CD-CB 4.23Å; K496-H591 VanDerWaalsContact CE-CD2 3.48Å; K496-H591 WeakPolarHBondContact CE-CD2 3.3Å; K496-H591 WeakPolarHBondContact CE-NE2 3.48Å; K496-H591 HydrophobicContact CG-CB 4.09Å; K496-H591 PolarHBondContact NZ-CD2 3.03Å; K496-H591 PolarHBondContact NZ-NE2 3.31Å
497	P	96.4	Very high	95.1	Very high	10 Å²	10	52.5 Å²	52.5	7%	0.065	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-58.4	131.4	178.6	-20.1	30.9	0	0	0	111.7	A488 P491 F500 W590	A488-P497 HydrophobicContact CB-CB 3.76Å; A488-P497 HydrophobicContact CB-CG 3.89Å; P491-P497 HydrophobicContact CG-CG 4.04Å; P497-F500 HydrophobicContact CB-CE2 4.08Å; P497-F500 HydrophobicContact CB-CZ 3.84Å; P497-W590 WeakPolarHBondContact O-CH2 3.42Å; P497-W590 VanDerWaalsContact O-CZ3 3.23Å; P497-W590 WeakPolarHBondContact O-CZ3 3.44Å
498	S	95.2	Very high	94.3	Very high	87 Å²	87	55.1 Å²	55.1	61%	0.608	32%	0.318	S	S	*	.			trans	-104.7	-23	178.6	57.1	0	0	0	0	112.9	K496 S537	K496-S498 PolarHBondContact O-N 2.68Å; S498-S537 WeakPolarHBondContact O-CA 3.26Å; S498-S537 WeakPolarHBondContact O-CB 3.29Å
499	V	97.8	Very high	93.4	Very high	32 Å²	32	57.3 Å²	57.3	19%	0.194	34%	0.34	C	S	.	.			trans	-121.5	134.4	-175.9	-177	0	0	0	0	110.4	E489 L539	E489-V499 HydrophobicContact CB-CB 4.16Å; E489-V499 PolarHBondContact N-O 3.13Å; V499-L539 HydrophobicContact CG1-CD1 3.64Å; V499-L539 HydrophobicContact CG1-CG 3.79Å
500	F	98.4	Very high	92.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.8	-178.9	-70.5	-98.4	0	0	0	111.8	L465 V467 A486 V487 A488 P497 S537 L539 P551 W590 C593	L465-F500 HydrophobicContact CB-CD1 4.46Å; L465-F500 HydrophobicContact CB-CE1 4.3Å; L465-F500 HydrophobicContact CD2-CD1 3.95Å; L465-F500 HydrophobicContact CD2-CE1 3.5Å; L465-F500 VanDerWaalsContact CD2-CE1 3.5Å; L465-F500 HydrophobicContact CD2-CE2 4.48Å; L465-F500 HydrophobicContact CD2-CZ 3.8Å; V467-F500 HydrophobicContact CG1-CB 4.37Å; A486-F500 HydrophobicContact CB-CB 3.93Å; V487-F500 CarbonylContact O-C 3.14Å; V487-F500 VanDerWaalsContact O-CA 3.28Å; V487-F500 WeakPolarHBondContact O-CA 3.31Å; A488-F500 HydrophobicContact CB-CD1 4.12Å; A488-F500 HydrophobicContact CB-CE1 3.76Å; A488-F500 HydrophobicContact CB-CZ 4.31Å; P497-F500 HydrophobicContact CB-CE2 4.08Å; P497-F500 HydrophobicContact CB-CZ 3.84Å; F500-S537 PolarHBondContact N-O 3.15Å; F500-L539 PolarHBondContact O-N 3.1Å; F500-P551 HydrophobicContact CD2-CB 3.85Å; F500-P551 HydrophobicContact CD2-CG 3.43Å; F500-P551 VanDerWaalsContact CD2-CG 3.43Å; F500-P551 HydrophobicContact CE2-CB 3.38Å; F500-P551 HydrophobicContact CE2-CG 3.51Å; F500-P551 HydrophobicContact CG-CG 4.25Å; F500-P551 HydrophobicContact CZ-CB 3.82Å; F500-P551 HydrophobicContact CZ-CG 4.35Å; F500-W590 HydrophobicContact CE2-CE3 4.37Å; F500-W590 AromaticContact CE2-CZ3 3.97Å; F500-W590 HydrophobicContact CE2-CZ3 3.97Å; F500-W590 AromaticContact CZ-CE3 3.87Å; F500-W590 HydrophobicContact CZ-CE3 3.87Å; F500-W590 AromaticContact CZ-CZ3 3.79Å; F500-W590 HydrophobicContact CZ-CZ3 3.79Å; F500-C593 HydrophobicContact CE1-CB 3.99Å
501	H	98.5	Very high	91.8	Very high	27 Å²	27	51.3 Å²	51.3	13%	0.125	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.4	-178	-72.5	-136.3	0	0	0	110.1	A486 V487 E489 L503 K571 T572 L596	A486-H501 CarbonylContact C-O 3.58Å; A486-H501 WeakPolarHBondContact CA-O 3.41Å; A486-H501 VanDerWaalsContact CB-O 3.24Å; A486-H501 WeakPolarHBondContact CB-O 3.47Å; V487-H501 HydrophobicContact CG2-CB 4.25Å; V487-H501 PolarHBondContact N-O 3.26Å; V487-H501 PolarHBondContact O-N 2.94Å; E489-H501 IonicContact OE2-NE2 2.61Å; H501-L503 PolarHBondContact O-N 3.45Å; H501-K571 HydrophobicContact CB-CB 4.33Å; H501-K571 HydrophobicContact CB-CG 4.18Å; H501-T572 HydrophobicContact CB-CG2 3.95Å; H501-L596 HydrophobicContact CB-CD2 4.06Å
502	T	98.5	Very high	90.8	Very high	0 Å²	0	54 Å²	54	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	135.7	177.5	53.9	0	0	0	0	112.1	V467 L484 I538 L539 C540 G541 Y570 K571 T572	V467-T502 HydrophobicContact CG2-CG2 4.28Å; L484-T502 HydrophobicContact CD1-CG2 4.25Å; L484-T502 HydrophobicContact CD2-CG2 3.69Å; L484-T502 HydrophobicContact CG-CG2 3.94Å; T502-I538 HydrophobicContact CG2-CG2 4.13Å; T502-L539 WeakPolarHBondContact CG2-O 3.48Å; T502-L539 PolarHBondContact N-O 3.46Å; T502-L539 VanDerWaalsContact N-O 3.1Å; T502-L539 PolarHBondContact OG1-O 3.3Å; T502-C540 HydrophobicContact CG2-CB 4.18Å; T502-C540 WeakPolarHBondContact OG1-CA 3.36Å; T502-G541 PolarHBondContact OG1-N 2.99Å; T502-Y570 WeakPolarHBondContact O-CB 3.47Å; T502-K571 PolarHBondContact O-N 2.94Å; T502-K571 WeakPolarHBondContact OG1-CB 3.37Å; T502-K571 PolarHBondContact OG1-N 3.14Å; T502-K571 VanDerWaalsContact OG1-N 3.13Å; T502-T572 WeakPolarHBondContact O-CG2 3.28Å; T502-T572 PolarHBondContact O-N 2.67Å; T502-T572 PolarHBondContact O-OG1 2.91Å
503	L	97.9	Very high	90.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-51.1	-175	173.9	61.5	0	0	0	113	L462 I464 C485 V487 H501 Y570 T572 T575 L576 L599	L462-L503 HydrophobicContact CD2-CD2 4.31Å; I464-L503 HydrophobicContact CD1-CD2 4.37Å; I464-L503 HydrophobicContact CG2-CD2 4.22Å; C485-L503 PolarHBondContact O-N 3.46Å; V487-L503 HydrophobicContact CG1-CD2 3.9Å; H501-L503 PolarHBondContact O-N 3.45Å; L503-Y570 WeakPolarHBondContact O-CD1 3.33Å; L503-Y570 WeakPolarHBondContact O-CD2 3.33Å; L503-T572 HydrophobicContact CB-CG2 4.22Å; L503-T572 HydrophobicContact CD1-CG2 4.18Å; L503-T572 WeakPolarHBondContact CD1-OG1 3.4Å; L503-T575 WeakPolarHBondContact O-CA 3.49Å; L503-T575 WeakPolarHBondContact O-CB 3.39Å; L503-T575 PolarHBondContact O-OG1 2.95Å; L503-L576 HydrophobicContact CD2-CD1 4.17Å; L503-L576 HydrophobicContact CD2-CD2 4.36Å; L503-L576 HydrophobicContact CD2-CG 4.19Å; L503-L576 HydrophobicContact CG-CG 4.3Å; L503-L599 HydrophobicContact CD1-CD1 4.28Å; L503-L599 HydrophobicContact CD1-CD2 3.78Å; L503-L599 HydrophobicContact CD2-CD1 4.12Å; L503-L599 HydrophobicContact CD2-CD2 4.38Å
504	S	96.9	Very high	89.9	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.028	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	156.4	-173.1	-170.5	0	0	0	0	112.3	C485 T575	C485-S504 PolarHBondContact N-O 2.97Å; C485-S504 PolarHBondContact O-N 3.27Å; S504-T575 WeakPolarHBondContact CB-OG1 3.49Å; S504-T575 PolarHBondContact OG-OG1 2.86Å
505	R	95.6	Very high	89.6	Confident	113 Å²	113	50.7 Å²	50.7	43%	0.426	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.5	169.2	-170.4	176.3	69.6	-167.4	2.9	108.9	Y470 H482 F483 E543 Y570	Y470-R505 HydrophobicContact CD2-CG 4.15Å; Y470-R505 HydrophobicContact CE2-CG 3.72Å; H482-R505 HydrophobicContact CB-CG 4.16Å; F483-R505 WeakPolarHBondContact O-CA 3.44Å; R505-E543 IonicContact CZ-OE1 3.49Å; R505-E543 IonicContact NE-OE1 2.79Å; R505-E543 IonicContact NH1-OE1 2.64Å; R505-E543 PolarHBondContact NH1-OE1 3.42Å; R505-Y570 WeakPolarHBondContact CB-OH 3.46Å; R505-Y570 PolarHBondContact N-OH 3.23Å; R505-Y570 VanDerWaalsContact N-OH 3.14Å
506	V	92.4	Very high	89	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.8	-179.4	65.6	0	0	0	0	110.7	H482 F483 I559 P579 I581	H482-V506 CarbonylContact C-O 3.52Å; H482-V506 WeakPolarHBondContact CA-O 3.49Å; F483-V506 HydrophobicContact CB-CG1 4.39Å; F483-V506 PolarHBondContact N-O 2.68Å; F483-V506 PolarHBondContact O-N 3.15Å; V506-I559 HydrophobicContact CB-CD1 4.49Å; V506-I559 HydrophobicContact CG1-CD1 4.18Å; V506-I559 HydrophobicContact CG2-CD1 4.16Å; V506-P579 HydrophobicContact CG2-CB 4.35Å; V506-I581 HydrophobicContact CG1-CD1 4.03Å; V506-I581 HydrophobicContact CG1-CG1 4Å; V506-I581 HydrophobicContact CG2-CD1 4.34Å; V506-I581 HydrophobicContact CG2-CG1 3.81Å
507	G	85.1	Confident	88.6	Confident	16 Å²	16	48.3 Å²	48.3	17%	0.165	26%	0.261	C	S	.	.			trans	-153.3	22.2	-180	0	0	0	0	0	114.1	R476 S481	R476-G507 PolarHBondContact NH1-O 2.81Å; S481-G507 WeakPolarHBondContact O-CA 3.49Å
508	S	82.1	Confident	88.3	Confident	55 Å²	55	48 Å²	48	39%	0.385	26%	0.259	S	S	.	.			trans	-140.8	163.1	177.8	70.8	0	0	0	0	110.2	R580 I581	S508-R580 WeakPolarHBondContact O-CA 3.48Å; S508-I581 PolarHBondContact O-N 3.29Å
509	G	79.9	Confident	88	Confident	46 Å²	46	44.7 Å²	44.7	47%	0.474	24%	0.239	S	C	.	.	S	Bend	trans	107.3	-36.6	-179.1	0	0	0	0	0	113.5	I581	G509-I581 CarbonylContact C-O 3.52Å; G509-I581 VanDerWaalsContact C-O 3.26Å; G509-I581 WeakPolarHBondContact CA-O 3.09Å
510	C	78.1	Confident	87.6	Confident	28 Å²	28	47.9 Å²	47.9	19%	0.189	25%	0.254	C	S	.	.	S	Bend	trans	-77	141.7	172.5	-56.6	0	0	0	0	112.6	E514 L515 I581	C510-E514 HydrophobicContact CB-CB 4.19Å; C510-L515 HydrophobicContact CB-CB 4.34Å; C510-I581 VanDerWaalsContact SG-CD1 3.56Å
511	T	78.3	Confident	87.3	Confident	76 Å²	76	51.9 Å²	51.9	47%	0.466	27%	0.272	S	S	.	.			trans	-64.3	161.2	161.5	65.7	0	0	0	0	110.9	K513 E514 L515	T511-K513 PolarHBondContact O-N 2.84Å; T511-E514 WeakPolarHBondContact CB-OE2 3.27Å; T511-E514 WeakPolarHBondContact CG2-OE2 3.3Å; T511-E514 PolarHBondContact N-OE2 3.39Å; T511-E514 PolarHBondContact O-N 2.91Å; T511-E514 WeakPolarHBondContact OG1-CB 3.37Å; T511-E514 VanDerWaalsContact OG1-CD 3.22Å; T511-E514 VanDerWaalsContact OG1-CG 3.25Å; T511-E514 WeakPolarHBondContact OG1-CG 3.21Å; T511-E514 PolarHBondContact OG1-N 3.13Å; T511-E514 PolarHBondContact OG1-OE2 3.11Å; T511-L515 WeakPolarHBondContact O-CB 3.33Å; T511-L515 PolarHBondContact O-N 3.3Å
512	M	72.9	Confident	87.1	Confident	95 Å²	95	50.7 Å²	50.7	47%	0.468	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-33	175.8	-74.1	-63.8	-64.8	0	0	112.4	R476 M479 Y516	R476-M512 HydrophobicContact CG-CE 4.33Å; R476-M512 HydrophobicContact CG-SD 4.01Å; M479-M512 HydrophobicContact CE-CE 4.08Å; M479-M512 HydrophobicContact SD-CE 4.04Å; M512-Y516 VanDerWaalsContact O-CB 3.26Å; M512-Y516 WeakPolarHBondContact O-CB 3.49Å; M512-Y516 PolarHBondContact O-N 2.82Å
513	K	79.5	Confident	86.8	Confident	144 Å²	144	53.4 Å²	53.4	63%	0.626	29%	0.289	S	S	*	.	H	α-helix	trans	-68.1	-51.4	177	-177.4	-177.1	177.9	-64.1	0	111.2	T511 L515 Y516 D517	T511-K513 PolarHBondContact O-N 2.84Å; K513-L515 VanDerWaalsContact C-N 3.29Å; K513-L515 PolarHBondContact O-N 3.36Å; K513-Y516 WeakPolarHBondContact O-CB 3.07Å; K513-Y516 PolarHBondContact O-N 3.15Å; K513-Y516 VanDerWaalsContact O-N 3.12Å; K513-D517 IonicContact NZ-OD2 3.14Å; K513-D517 PolarHBondContact NZ-OD2 3.48Å; K513-D517 WeakPolarHBondContact O-CB 3.38Å; K513-D517 VanDerWaalsContact O-CG 3.23Å; K513-D517 PolarHBondContact O-N 3.09Å
514	E	84.6	Confident	86.7	Confident	82 Å²	82	61 Å²	61	38%	0.383	32%	0.322	S	S	.	.	H	α-helix	trans	-59.7	-41.7	178.6	-71	160.1	153.9	0	0	111.8	C510 T511 Y516 D517 L518 I584	C510-E514 HydrophobicContact CB-CB 4.19Å; T511-E514 WeakPolarHBondContact CB-OE2 3.27Å; T511-E514 WeakPolarHBondContact CG2-OE2 3.3Å; T511-E514 PolarHBondContact N-OE2 3.39Å; T511-E514 PolarHBondContact O-N 2.91Å; T511-E514 WeakPolarHBondContact OG1-CB 3.37Å; T511-E514 VanDerWaalsContact OG1-CD 3.22Å; T511-E514 VanDerWaalsContact OG1-CG 3.25Å; T511-E514 WeakPolarHBondContact OG1-CG 3.21Å; T511-E514 PolarHBondContact OG1-N 3.13Å; T511-E514 PolarHBondContact OG1-OE2 3.11Å; E514-Y516 VanDerWaalsContact C-N 3.33Å; E514-Y516 PolarHBondContact O-N 3.34Å; E514-D517 PolarHBondContact O-N 2.83Å; E514-L518 WeakPolarHBondContact O-CB 3.26Å; E514-L518 PolarHBondContact O-N 2.89Å; E514-I584 HydrophobicContact CB-CD1 4.21Å
515	L	83.1	Confident	86.7	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-63.4	-40.2	176.6	-172.5	76	0	0	0	112	R476 M479 F483 C510 T511 K513 G519	R476-L515 VanDerWaalsContact NH2-CD1 3.3Å; M479-L515 HydrophobicContact SD-CD2 3.79Å; F483-L515 HydrophobicContact CE2-CD1 3.67Å; F483-L515 HydrophobicContact CZ-CD1 3.91Å; C510-L515 HydrophobicContact CB-CB 4.34Å; T511-L515 WeakPolarHBondContact O-CB 3.33Å; T511-L515 PolarHBondContact O-N 3.3Å; K513-L515 VanDerWaalsContact C-N 3.29Å; K513-L515 PolarHBondContact O-N 3.36Å; L515-G519 PolarHBondContact O-N 2.51Å
516	Y	82.6	Confident	86.7	Confident	125 Å²	125	61 Å²	61	49%	0.49	32%	0.322	S	S	.	.	H	α-helix	trans	-66.5	-48.2	176.8	179.5	-96.9	0	0	0	111.5	M512 K513 E514 L518 G519 L520	M512-Y516 VanDerWaalsContact O-CB 3.26Å; M512-Y516 WeakPolarHBondContact O-CB 3.49Å; M512-Y516 PolarHBondContact O-N 2.82Å; K513-Y516 WeakPolarHBondContact O-CB 3.07Å; K513-Y516 PolarHBondContact O-N 3.15Å; K513-Y516 VanDerWaalsContact O-N 3.12Å; E514-Y516 VanDerWaalsContact C-N 3.33Å; E514-Y516 PolarHBondContact O-N 3.34Å; Y516-L518 PolarHBondContact O-N 3.23Å; Y516-G519 WeakPolarHBondContact O-CA 3.45Å; Y516-G519 PolarHBondContact O-N 3.45Å; Y516-G519 VanDerWaalsContact O-N 3.13Å; Y516-L520 HydrophobicContact CD1-CD1 3.96Å; Y516-L520 HydrophobicContact CD1-CG 4.41Å; Y516-L520 HydrophobicContact CE1-CD1 3.34Å; Y516-L520 HydrophobicContact CE1-CG 4.02Å; Y516-L520 PolarHBondContact O-N 3.31Å
517	D	87.3	Confident	86.8	Confident	68 Å²	68	64.9 Å²	64.9	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-60.7	-44.8	178.5	-66.1	-16.8	0	0	0	110.8	K513 E514 L520 K521	K513-D517 IonicContact NZ-OD2 3.14Å; K513-D517 PolarHBondContact NZ-OD2 3.48Å; K513-D517 WeakPolarHBondContact O-CB 3.38Å; K513-D517 VanDerWaalsContact O-CG 3.23Å; K513-D517 PolarHBondContact O-N 3.09Å; E514-D517 PolarHBondContact O-N 2.83Å; D517-L520 PolarHBondContact O-N 3.03Å; D517-K521 WeakPolarHBondContact O-CB 3.38Å; D517-K521 PolarHBondContact O-N 3.12Å
518	L	89.6	Confident	87.3	Confident	4 Å²	4	68 Å²	68	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-63.1	-42.2	173.6	-176.1	63.2	0	0	0	111.6	I466 F483 E514 Y516 L520 K521 L522 V555 I584	I466-L518 HydrophobicContact CD1-CD2 4Å; F483-L518 HydrophobicContact CE2-CD2 3.89Å; F483-L518 HydrophobicContact CZ-CD2 3.86Å; F483-L518 HydrophobicContact CZ-CG 4.49Å; E514-L518 WeakPolarHBondContact O-CB 3.26Å; E514-L518 PolarHBondContact O-N 2.89Å; Y516-L518 PolarHBondContact O-N 3.23Å; L518-L520 VanDerWaalsContact C-N 3.35Å; L518-L520 PolarHBondContact O-N 2.86Å; L518-K521 PolarHBondContact O-N 3.13Å; L518-L522 HydrophobicContact CD1-CD1 3.86Å; L518-L522 HydrophobicContact CD1-CG 4.04Å; L518-L522 HydrophobicContact CG-CD1 3.97Å; L518-L522 HydrophobicContact CG-CG 4.38Å; L518-L522 WeakPolarHBondContact O-CB 3.23Å; L518-L522 WeakPolarHBondContact O-CG 3.4Å; L518-L522 PolarHBondContact O-N 3.27Å; L518-V555 HydrophobicContact CD1-CB 4.32Å; L518-V555 HydrophobicContact CD1-CG1 4.35Å; L518-V555 HydrophobicContact CD1-CG2 4.28Å; L518-I584 HydrophobicContact CB-CD1 4.13Å; L518-I584 HydrophobicContact CD1-CD1 4.49Å; L518-I584 HydrophobicContact CD1-CG2 4.41Å; L518-I584 HydrophobicContact CD2-CD1 4.1Å; L518-I584 HydrophobicContact CG-CD1 4.47Å
519	G	88.8	Confident	87.8	Confident	18 Å²	18	66.4 Å²	66.4	19%	0.186	34%	0.342	C	S	.	.	H	α-helix	trans	-57.5	-45.6	175.9	0	0	0	0	0	112.3	L515 Y516 L522 A523	L515-G519 PolarHBondContact O-N 2.51Å; Y516-G519 WeakPolarHBondContact O-CA 3.45Å; Y516-G519 PolarHBondContact O-N 3.45Å; Y516-G519 VanDerWaalsContact O-N 3.13Å; G519-L522 PolarHBondContact O-N 2.98Å; G519-A523 WeakPolarHBondContact O-CA 3.26Å; G519-A523 WeakPolarHBondContact O-CB 3.5Å; G519-A523 PolarHBondContact O-N 2.87Å
520	L	89.9	Confident	88.4	Confident	98 Å²	98	69.8 Å²	69.8	51%	0.513	35%	0.346	S	S	.	.	H	α-helix	trans	-64.5	-43.7	175.6	-72	-179.9	0	0	0	112.2	Y516 D517 L518 L522 A523	Y516-L520 HydrophobicContact CD1-CD1 3.96Å; Y516-L520 HydrophobicContact CD1-CG 4.41Å; Y516-L520 HydrophobicContact CE1-CD1 3.34Å; Y516-L520 HydrophobicContact CE1-CG 4.02Å; Y516-L520 PolarHBondContact O-N 3.31Å; D517-L520 PolarHBondContact O-N 3.03Å; L518-L520 VanDerWaalsContact C-N 3.35Å; L518-L520 PolarHBondContact O-N 2.86Å; L520-L522 VanDerWaalsContact C-N 3.32Å; L520-L522 PolarHBondContact O-N 3.45Å; L520-A523 PolarHBondContact O-N 3.17Å
521	K	92.8	Very high	88.9	Confident	85 Å²	85	76.4 Å²	76.4	37%	0.37	37%	0.371	S	S	.	.	H	α-helix	trans	-58.3	-44	178	-174.8	178.2	-175.6	175.6	0	111.7	D517 L518 V555 E586	D517-K521 WeakPolarHBondContact O-CB 3.38Å; D517-K521 PolarHBondContact O-N 3.12Å; L518-K521 PolarHBondContact O-N 3.13Å; K521-V555 HydrophobicContact CD-CG2 4.18Å; K521-E586 IonicContact NZ-OE1 2.67Å; K521-E586 PolarHBondContact NZ-OE1 3.11Å
522	L	94.4	Very high	89.5	Confident	1 Å²	1	83 Å²	83	1%	0.005	39%	0.393	C	S	.	.	H	α-helix	trans	-87.2	-14.9	-175.8	-59.3	-176.4	0	0	0	114	I466 L518 G519 L520 K524 Y525 W526 I549 V555	I466-L522 HydrophobicContact CD1-CD1 4.4Å; L518-L522 HydrophobicContact CD1-CD1 3.86Å; L518-L522 HydrophobicContact CD1-CG 4.04Å; L518-L522 HydrophobicContact CG-CD1 3.97Å; L518-L522 HydrophobicContact CG-CG 4.38Å; L518-L522 WeakPolarHBondContact O-CB 3.23Å; L518-L522 WeakPolarHBondContact O-CG 3.4Å; L518-L522 PolarHBondContact O-N 3.27Å; G519-L522 PolarHBondContact O-N 2.98Å; L520-L522 VanDerWaalsContact C-N 3.32Å; L520-L522 PolarHBondContact O-N 3.45Å; L522-K524 VanDerWaalsContact C-N 3.31Å; L522-K524 PolarHBondContact O-N 3.03Å; L522-K524 VanDerWaalsContact O-N 3.15Å; L522-Y525 PolarHBondContact O-N 3.05Å; L522-W526 HydrophobicContact CB-CZ2 3.93Å; L522-W526 HydrophobicContact CD1-CH2 4.34Å; L522-W526 HydrophobicContact CD1-CZ2 3.77Å; L522-I549 HydrophobicContact CD2-CD1 3.84Å; L522-V555 HydrophobicContact CD2-CG2 3.93Å
523	A	91.4	Very high	90.4	Very high	58 Å²	58	81.9 Å²	81.9	48%	0.479	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-50.8	-44.7	-170.3	0	0	0	0	0	114.3	G519 L520 Y525	G519-A523 WeakPolarHBondContact O-CA 3.26Å; G519-A523 WeakPolarHBondContact O-CB 3.5Å; G519-A523 PolarHBondContact O-N 2.87Å; L520-A523 PolarHBondContact O-N 3.17Å; A523-Y525 VanDerWaalsContact C-N 3.25Å; A523-Y525 PolarHBondContact O-N 3.5Å
524	K	94.8	Very high	91	Very high	159 Å²	159	78.6 Å²	78.6	69%	0.691	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-73.4	-10.3	-177	56.3	174.2	159.5	163.2	0	114.8	L522	L522-K524 VanDerWaalsContact C-N 3.31Å; L522-K524 PolarHBondContact O-N 3.03Å; L522-K524 VanDerWaalsContact O-N 3.15Å
525	Y	96.9	Very high	91.5	Very high	75 Å²	75	75.4 Å²	75.4	29%	0.294	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-108.7	-9.3	-173.3	-58.1	-65.2	0	0	0	113.8	L522 A523 K527 I549 N553	L522-Y525 PolarHBondContact O-N 3.05Å; A523-Y525 VanDerWaalsContact C-N 3.25Å; A523-Y525 PolarHBondContact O-N 3.5Å; Y525-K527 PolarHBondContact O-N 3.03Å; Y525-I549 VanDerWaalsContact CB-CD1 3.5Å; Y525-I549 HydrophobicContact CD2-CD1 4.43Å; Y525-I549 HydrophobicContact CG-CD1 4.31Å; Y525-N553 HydrophobicContact CD1-CB 3.65Å; Y525-N553 HydrophobicContact CD2-CB 4.13Å; Y525-N553 HydrophobicContact CE1-CB 4.02Å; Y525-N553 WeakPolarHBondContact CE1-OD1 3.33Å; Y525-N553 HydrophobicContact CE2-CB 4.48Å; Y525-N553 HydrophobicContact CG-CB 3.71Å
526	W	96.3	Very high	92	Very high	41 Å²	41	80.4 Å²	80.4	16%	0.155	41%	0.414	C	S	.	.			trans	-67.1	129	178.1	-68.1	121.4	0	0	0	111.7	I466 M480 F483 L522 V547 I549	I466-W526 HydrophobicContact CG2-CH2 3.89Å; M480-W526 HydrophobicContact CG-CZ2 4.33Å; F483-W526 HydrophobicContact CD1-CH2 4.35Å; F483-W526 HydrophobicContact CD1-CZ2 4.37Å; F483-W526 HydrophobicContact CE1-CZ2 4.19Å; L522-W526 HydrophobicContact CB-CZ2 3.93Å; L522-W526 HydrophobicContact CD1-CH2 4.34Å; L522-W526 HydrophobicContact CD1-CZ2 3.77Å; W526-V547 HydrophobicContact CB-CB 4.18Å; W526-V547 HydrophobicContact CB-CG2 4.16Å; W526-V547 HydrophobicContact CD2-CB 4.45Å; W526-V547 HydrophobicContact CD2-CG2 3.69Å; W526-V547 HydrophobicContact CE3-CB 4.08Å; W526-V547 HydrophobicContact CE3-CG2 3.49Å; W526-V547 VanDerWaalsContact CE3-CG2 3.49Å; W526-V547 HydrophobicContact CG-CG2 3.98Å; W526-V547 HydrophobicContact CZ3-CG2 4.16Å; W526-I549 HydrophobicContact CE3-CB 3.83Å; W526-I549 HydrophobicContact CE3-CG2 4.32Å; W526-I549 HydrophobicContact CH2-CB 4.36Å; W526-I549 HydrophobicContact CH2-CG2 4.04Å; W526-I549 HydrophobicContact CZ3-CB 3.65Å; W526-I549 HydrophobicContact CZ3-CG2 3.61Å
527	K	95.2	Very high	92.7	Very high	86 Å²	86	75.2 Å²	75.2	37%	0.374	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.6	173.8	-63.7	178	-173.3	177.1	0	109.9	Y525 F529 V547 Y548 E550	Y525-K527 PolarHBondContact O-N 3.03Å; K527-F529 PolarHBondContact O-N 2.97Å; K527-V547 CarbonylContact O-C 3.57Å; K527-V547 VanDerWaalsContact O-CA 3.23Å; K527-V547 WeakPolarHBondContact O-CA 3.18Å; K527-V547 WeakPolarHBondContact O-CB 3.42Å; K527-Y548 HydrophobicContact CB-CD1 3.88Å; K527-Y548 HydrophobicContact CB-CE1 3.43Å; K527-Y548 VanDerWaalsContact CB-CE1 3.43Å; K527-Y548 HydrophobicContact CB-CE2 4.34Å; K527-Y548 HydrophobicContact CD-CE1 4.25Å; K527-Y548 HydrophobicContact CD-CE2 4.02Å; K527-Y548 VanDerWaalsContact CD-OH 3.32Å; K527-Y548 WeakPolarHBondContact CD-OH 3.2Å; K527-Y548 HydrophobicContact CG-CE1 4.49Å; K527-Y548 PolarHBondContact N-O 2.87Å; K527-Y548 WeakPolarHBondContact O-CD1 3.4Å; K527-Y548 PolarHBondContact O-N 2.9Å; K527-E550 IonicContact NZ-OE1 2.73Å; K527-E550 PolarHBondContact NZ-OE1 3.27Å
528	P	94.1	Very high	93.2	Very high	82 Å²	82	72.2 Å²	72.2	53%	0.532	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	134.2	175.3	-24.4	34.5	0	0	0	112.1	Y548	P528-Y548 WeakPolarHBondContact O-CE1 3.38Å
529	F	94.1	Very high	93.6	Very high	21 Å²	21	74.9 Å²	74.9	9%	0.092	39%	0.394	C	S	.	.			trans	-86.8	118.2	176.7	-173.9	-87.7	0	0	0	111	K527 K531 P534 P535 K544 P545 E546 Y548	K527-F529 PolarHBondContact O-N 2.97Å; F529-K531 HydrophobicContact CE1-CG 4.33Å; F529-P534 HydrophobicContact CE2-CB 4.29Å; F529-P534 HydrophobicContact CZ-CB 3.98Å; F529-P535 HydrophobicContact CE2-CG 4.34Å; F529-K544 HydrophobicContact CD1-CB 4.2Å; F529-K544 HydrophobicContact CE1-CB 3.83Å; F529-K544 HydrophobicContact CE1-CD 3.95Å; F529-K544 HydrophobicContact CE1-CG 4.08Å; F529-K544 HydrophobicContact CZ-CD 4.03Å; F529-P545 HydrophobicContact CB-CG 4.27Å; F529-P545 WeakPolarHBondContact CB-O 3.48Å; F529-P545 HydrophobicContact CD2-CG 3.79Å; F529-P545 HydrophobicContact CE2-CG 4.29Å; F529-P545 HydrophobicContact CG-CG 3.98Å; F529-E546 PolarHBondContact N-O 3.1Å; F529-Y548 HydrophobicContact CB-CD1 4.35Å; F529-Y548 HydrophobicContact CD2-CD1 4.25Å; F529-Y548 HydrophobicContact CD2-CG 4.44Å
530	H	90.9	Very high	93.9	Very high	117 Å²	117	75 Å²	75	54%	0.542	39%	0.392	S	S	.	.			trans	-102.7	115.1	178.1	-64.8	-71.3	0	0	0	111.4	K532 A533	H530-K532 PolarHBondContact O-N 2.9Å; H530-A533 HydrophobicContact CB-CB 4.39Å; H530-A533 CarbonylContact O-C 3.41Å; H530-A533 PolarHBondContact O-N 3.08Å
531	K	89.1	Confident	94.1	Very high	167 Å²	167	71.1 Å²	71.1	73%	0.726	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.8	-178.3	-65.4	-174.9	-179.4	-176.3	0	114.3	F529	F529-K531 HydrophobicContact CE1-CG 4.33Å
532	K	90.9	Very high	94.2	Very high	214 Å²	214	71.7 Å²	71.7	93%	0.93	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-15.5	179.5	-66	-174.5	177.5	-176.6	0	113.4	H530	H530-K532 PolarHBondContact O-N 2.9Å
533	A	92	Very high	94.1	Very high	71 Å²	71	73 Å²	73	59%	0.587	39%	0.392	S	S	*	.	S	Bend	trans	-142.5	67.7	-179	0	0	0	0	0	108.9	H530	H530-A533 HydrophobicContact CB-CB 4.39Å; H530-A533 CarbonylContact O-C 3.41Å; H530-A533 PolarHBondContact O-N 3.08Å
534	P	92.2	Very high	94.3	Very high	75 Å²	75	73.7 Å²	73.7	49%	0.487	39%	0.385	S	S	.	.			trans	-70.1	151.9	179.6	30.8	-34.8	0	0	0	110.9	F529	F529-P534 HydrophobicContact CE2-CB 4.29Å; F529-P534 HydrophobicContact CZ-CB 3.98Å
535	P	94.7	Very high	94.3	Very high	16 Å²	16	66.5 Å²	66.5	10%	0.104	35%	0.354	C	S	.	.			trans	-62.8	138.2	173.1	28.3	-35.7	0	0	0	110.9	F529 S537 I538 Y548	F529-P535 HydrophobicContact CE2-CG 4.34Å; P535-S537 VanDerWaalsContact C-N 3.26Å; P535-S537 PolarHBondContact O-N 3.21Å; P535-I538 HydrophobicContact CG-CB 4.13Å; P535-I538 HydrophobicContact CG-CD1 4.05Å; P535-I538 HydrophobicContact CG-CG1 4.42Å; P535-I538 PolarHBondContact O-N 2.84Å; P535-Y548 HydrophobicContact CB-CD2 4.04Å; P535-Y548 HydrophobicContact CB-CE2 3.61Å; P535-Y548 HydrophobicContact CG-CD1 4.36Å; P535-Y548 HydrophobicContact CG-CD2 3.71Å; P535-Y548 HydrophobicContact CG-CE1 4.44Å; P535-Y548 HydrophobicContact CG-CE2 3.78Å; P535-Y548 HydrophobicContact CG-CG 4Å
536	S	94.6	Very high	94.1	Very high	107 Å²	107	65.4 Å²	65.4	75%	0.748	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.9	178.8	51.7	0	0	0	0	113.1	I538	S536-I538 VanDerWaalsContact C-N 3.28Å; S536-I538 PolarHBondContact O-N 2.89Å
537	S	96.3	Very high	94.1	Very high	17 Å²	17	64.2 Å²	64.2	12%	0.119	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.6	179.9	53.7	0	0	0	0	114	S498 F500 P535 E550	S498-S537 WeakPolarHBondContact O-CA 3.26Å; S498-S537 WeakPolarHBondContact O-CB 3.29Å; F500-S537 PolarHBondContact N-O 3.15Å; P535-S537 VanDerWaalsContact C-N 3.26Å; P535-S537 PolarHBondContact O-N 3.21Å; S537-E550 PolarHBondContact OG-OE2 3.09Å
538	I	97.9	Very high	94.2	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	110.3	-174.5	-53.4	160.8	0	0	0	110.3	V467 T502 P535 S536 Y548	V467-I538 HydrophobicContact CB-CD1 3.94Å; V467-I538 HydrophobicContact CB-CG1 4.13Å; V467-I538 HydrophobicContact CB-CG2 4.04Å; V467-I538 HydrophobicContact CG1-CG1 4.34Å; V467-I538 HydrophobicContact CG2-CG2 3.93Å; T502-I538 HydrophobicContact CG2-CG2 4.13Å; P535-I538 HydrophobicContact CG-CB 4.13Å; P535-I538 HydrophobicContact CG-CD1 4.05Å; P535-I538 HydrophobicContact CG-CG1 4.42Å; P535-I538 PolarHBondContact O-N 2.84Å; S536-I538 VanDerWaalsContact C-N 3.28Å; S536-I538 PolarHBondContact O-N 2.89Å; I538-Y548 HydrophobicContact CD1-CD2 3.79Å; I538-Y548 HydrophobicContact CD1-CG 4.37Å
539	L	97.4	Very high	94.4	Very high	61 Å²	61	57.9 Å²	57.9	32%	0.319	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111.4	176.7	-56.2	-172.3	0	0	0	110.4	V499 F500 T502 K571	V499-L539 HydrophobicContact CG1-CD1 3.64Å; V499-L539 HydrophobicContact CG1-CG 3.79Å; F500-L539 PolarHBondContact O-N 3.1Å; T502-L539 WeakPolarHBondContact CG2-O 3.48Å; T502-L539 PolarHBondContact N-O 3.46Å; T502-L539 VanDerWaalsContact N-O 3.1Å; T502-L539 PolarHBondContact OG1-O 3.3Å; L539-K571 HydrophobicContact CB-CD 4.27Å; L539-K571 HydrophobicContact CB-CG 3.81Å; L539-K571 WeakPolarHBondContact O-CB 3.43Å; L539-K571 WeakPolarHBondContact O-CG 3.5Å
540	C	96.4	Very high	94.6	Very high	20 Å²	20	59 Å²	59	14%	0.135	32%	0.318	C	S	.	.			trans	-100.4	140.5	-179.3	-60.1	0	0	0	0	112.4	T502 K544	T502-C540 HydrophobicContact CG2-CB 4.18Å; T502-C540 WeakPolarHBondContact OG1-CA 3.36Å; C540-K544 HydrophobicContact CB-CD 3.65Å; C540-K544 PolarHBondContact O-NZ 3.06Å
541	G	94.1	Very high	94.9	Very high	17 Å²	17	53.8 Å²	53.8	18%	0.175	29%	0.294	C	S	.	.			trans	-72.9	-145.5	165.2	0	0	0	0	0	112.3	T502 E543 K544 M569	T502-G541 PolarHBondContact OG1-N 2.99Å; G541-E543 VanDerWaalsContact C-N 3.35Å; G541-K544 WeakPolarHBondContact O-CE 3.46Å; G541-K544 PolarHBondContact O-NZ 3.17Å; G541-M569 CarbonylContact C-O 3.58Å; G541-M569 WeakPolarHBondContact CA-O 3.22Å
542	T	94.2	Very high	95.2	Very high	96 Å²	96	49 Å²	49	59%	0.589	28%	0.281	S	S	*	.	S	Bend	trans	-64.3	-37.8	175.4	-54.3	0	0	0	0	112.7	K544 D568 M569	T542-K544 PolarHBondContact O-N 3.37Å; T542-D568 PolarHBondContact OG1-O 2.9Å; T542-M569 HydrophobicContact CG2-CE 4.33Å; T542-M569 HydrophobicContact CG2-SD 4.09Å; T542-M569 PolarHBondContact N-O 2.87Å
543	E	93.6	Very high	95.5	Very high	30 Å²	30	41.9 Å²	41.9	14%	0.14	25%	0.253	C	S	.	.			trans	-70.5	126.6	177.5	-174.9	68.9	-179.6	0	0	110.3	Y470 L484 R505 G541 M569 Y570	Y470-E543 WeakPolarHBondContact OH-CG 3.47Å; Y470-E543 PolarHBondContact OH-OE1 2.87Å; Y470-E543 VanDerWaalsContact OH-OE1 3.12Å; L484-E543 HydrophobicContact CD1-CG 4.48Å; R505-E543 IonicContact CZ-OE1 3.49Å; R505-E543 IonicContact NE-OE1 2.79Å; R505-E543 IonicContact NH1-OE1 2.64Å; R505-E543 PolarHBondContact NH1-OE1 3.42Å; G541-E543 VanDerWaalsContact C-N 3.35Å; E543-M569 HydrophobicContact CB-CB 4.48Å; E543-M569 HydrophobicContact CB-CE 4.03Å; E543-M569 WeakPolarHBondContact CB-O 3.29Å; E543-M569 PolarHBondContact N-O 2.84Å; E543-M569 WeakPolarHBondContact OE2-CE 3.45Å; E543-Y570 HydrophobicContact CB-CD1 4.43Å; E543-Y570 HydrophobicContact CB-CE1 4.1Å; E543-Y570 HydrophobicContact CG-CE1 4.13Å
544	K	94.5	Very high	95.8	Very high	72 Å²	72	39.1 Å²	39.1	31%	0.313	23%	0.23	S	C	.	.			trans	-123.8	137.6	179.3	-53	-58	-176.1	-174.7	0	109.8	Y470 F529 C540 G541 T542	Y470-K544 WeakPolarHBondContact CE1-O 3.25Å; Y470-K544 PolarHBondContact OH-O 3.23Å; F529-K544 HydrophobicContact CD1-CB 4.2Å; F529-K544 HydrophobicContact CE1-CB 3.83Å; F529-K544 HydrophobicContact CE1-CD 3.95Å; F529-K544 HydrophobicContact CE1-CG 4.08Å; F529-K544 HydrophobicContact CZ-CD 4.03Å; C540-K544 HydrophobicContact CB-CD 3.65Å; C540-K544 PolarHBondContact O-NZ 3.06Å; G541-K544 WeakPolarHBondContact O-CE 3.46Å; G541-K544 PolarHBondContact O-NZ 3.17Å; T542-K544 PolarHBondContact O-N 3.37Å
545	P	95.7	Very high	96.1	Very high	8 Å²	8	36.1 Å²	36.1	5%	0.052	21%	0.21	C	C	.	.			trans	-76.6	165.7	177.6	36.2	-35.2	0	0	0	111.5	Y470 L484 F529 V547	Y470-P545 HydrophobicContact CE2-CB 4.47Å; Y470-P545 WeakPolarHBondContact OH-CA 3.4Å; L484-P545 HydrophobicContact CB-CB 4.33Å; L484-P545 HydrophobicContact CD2-CB 3.95Å; L484-P545 HydrophobicContact CD2-CG 3.82Å; F529-P545 HydrophobicContact CB-CG 4.27Å; F529-P545 WeakPolarHBondContact CB-O 3.48Å; F529-P545 HydrophobicContact CD2-CG 3.79Å; F529-P545 HydrophobicContact CE2-CG 4.29Å; F529-P545 HydrophobicContact CG-CG 3.98Å; P545-V547 WeakPolarHBondContact CB-O 3.22Å
546	E	92.9	Very high	96.2	Very high	51 Å²	51	35.4 Å²	35.4	24%	0.238	21%	0.205	C	C	.	.	S	Bend	trans	-79.4	-37.9	173.3	-68.1	173	177.6	0	0	110.7	R113 G469 Y470 W471 F529	R113-E546 IonicContact CZ-OE1 3.74Å; R113-E546 IonicContact NH1-OE1 2.76Å; R113-E546 PolarHBondContact NH1-OE1 3.36Å; R113-E546 IonicContact NH2-OE1 3.77Å; R113-E546 PolarHBondContact NH2-OE1 3.38Å; G469-E546 PolarHBondContact O-N 3.43Å; G469-E546 VanDerWaalsContact O-N 3.14Å; Y470-E546 HydrophobicContact CD1-CG 4.13Å; W471-E546 WeakPolarHBondContact CB-OE2 3.44Å; W471-E546 PolarHBondContact N-OE2 3.43Å; F529-E546 PolarHBondContact N-O 3.1Å
547	V	95.5	Very high	96.4	Very high	17 Å²	17	30.3 Å²	30.3	10%	0.103	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.6	173.5	-65.8	0	0	0	0	110	G468 G469 M480 W526 K527 P545	G468-V547 CarbonylContact C-O 3.59Å; G468-V547 WeakPolarHBondContact CA-O 3.08Å; G469-V547 PolarHBondContact N-O 3.06Å; G469-V547 PolarHBondContact O-N 2.89Å; M480-V547 HydrophobicContact CE-CG2 3.49Å; M480-V547 VanDerWaalsContact CE-CG2 3.49Å; M480-V547 HydrophobicContact SD-CG2 4.09Å; W526-V547 HydrophobicContact CB-CB 4.18Å; W526-V547 HydrophobicContact CB-CG2 4.16Å; W526-V547 HydrophobicContact CD2-CB 4.45Å; W526-V547 HydrophobicContact CD2-CG2 3.69Å; W526-V547 HydrophobicContact CE3-CB 4.08Å; W526-V547 HydrophobicContact CE3-CG2 3.49Å; W526-V547 VanDerWaalsContact CE3-CG2 3.49Å; W526-V547 HydrophobicContact CG-CG2 3.98Å; W526-V547 HydrophobicContact CZ3-CG2 4.16Å; K527-V547 CarbonylContact O-C 3.57Å; K527-V547 VanDerWaalsContact O-CA 3.23Å; K527-V547 WeakPolarHBondContact O-CA 3.18Å; K527-V547 WeakPolarHBondContact O-CB 3.42Å; P545-V547 WeakPolarHBondContact CB-O 3.22Å
548	Y	97.9	Very high	96.4	Very high	35 Å²	35	30.5 Å²	30.5	14%	0.137	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	162.6	174.2	80.2	-82.9	0	0	0	111.3	V467 K527 P528 F529 P535 I538 E550	V467-Y548 WeakPolarHBondContact O-CA 3.4Å; K527-Y548 HydrophobicContact CB-CD1 3.88Å; K527-Y548 HydrophobicContact CB-CE1 3.43Å; K527-Y548 VanDerWaalsContact CB-CE1 3.43Å; K527-Y548 HydrophobicContact CB-CE2 4.34Å; K527-Y548 HydrophobicContact CD-CE1 4.25Å; K527-Y548 HydrophobicContact CD-CE2 4.02Å; K527-Y548 VanDerWaalsContact CD-OH 3.32Å; K527-Y548 WeakPolarHBondContact CD-OH 3.2Å; K527-Y548 HydrophobicContact CG-CE1 4.49Å; K527-Y548 PolarHBondContact N-O 2.87Å; K527-Y548 WeakPolarHBondContact O-CD1 3.4Å; K527-Y548 PolarHBondContact O-N 2.9Å; P528-Y548 WeakPolarHBondContact O-CE1 3.38Å; F529-Y548 HydrophobicContact CB-CD1 4.35Å; F529-Y548 HydrophobicContact CD2-CD1 4.25Å; F529-Y548 HydrophobicContact CD2-CG 4.44Å; P535-Y548 HydrophobicContact CB-CD2 4.04Å; P535-Y548 HydrophobicContact CB-CE2 3.61Å; P535-Y548 HydrophobicContact CG-CD1 4.36Å; P535-Y548 HydrophobicContact CG-CD2 3.71Å; P535-Y548 HydrophobicContact CG-CE1 4.44Å; P535-Y548 HydrophobicContact CG-CE2 3.78Å; P535-Y548 HydrophobicContact CG-CG 4Å; I538-Y548 HydrophobicContact CD1-CD2 3.79Å; I538-Y548 HydrophobicContact CD1-CG 4.37Å; Y548-E550 WeakPolarHBondContact CE2-OE1 3.27Å
549	I	97.7	Very high	96.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.			trans	-129.5	137.6	175.6	-175	167.5	0	0	0	108.6	I466 V467 L522 Y525 W526 N553	I466-I549 HydrophobicContact CG2-CG2 4.47Å; V467-I549 PolarHBondContact O-N 3.23Å; V467-I549 VanDerWaalsContact O-N 3.14Å; L522-I549 HydrophobicContact CD2-CD1 3.84Å; Y525-I549 VanDerWaalsContact CB-CD1 3.5Å; Y525-I549 HydrophobicContact CD2-CD1 4.43Å; Y525-I549 HydrophobicContact CG-CD1 4.31Å; W526-I549 HydrophobicContact CE3-CB 3.83Å; W526-I549 HydrophobicContact CE3-CG2 4.32Å; W526-I549 HydrophobicContact CH2-CB 4.36Å; W526-I549 HydrophobicContact CH2-CG2 4.04Å; W526-I549 HydrophobicContact CZ3-CB 3.65Å; W526-I549 HydrophobicContact CZ3-CG2 3.61Å; I549-N553 HydrophobicContact CD1-CB 4.28Å; I549-N553 WeakPolarHBondContact CD1-O 3.32Å; I549-N553 HydrophobicContact CG1-CB 4.23Å
550	E	97.7	Very high	96	Very high	44 Å²	44	28.8 Å²	28.8	21%	0.206	16%	0.158	C	C	.	.			trans	-62.5	133.9	173.3	-61.3	-60.8	164.6	0	0	109.5	K527 S537 Y548 C552 N553	K527-E550 IonicContact NZ-OE1 2.73Å; K527-E550 PolarHBondContact NZ-OE1 3.27Å; S537-E550 PolarHBondContact OG-OE2 3.09Å; Y548-E550 WeakPolarHBondContact CE2-OE1 3.27Å; E550-C552 PolarHBondContact O-N 2.87Å; E550-N553 PolarHBondContact O-N 3.41Å
551	P	97.4	Very high	95.8	Very high	7 Å²	7	28 Å²	28	5%	0.045	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-48.9	-40.1	-175.2	-32.9	36.8	0	0	0	114.5	L465 F500 N553 S554 W590	L465-P551 HydrophobicContact CD2-CB 3.65Å; L465-P551 HydrophobicContact CD2-CG 4.47Å; F500-P551 HydrophobicContact CD2-CB 3.85Å; F500-P551 HydrophobicContact CD2-CG 3.43Å; F500-P551 VanDerWaalsContact CD2-CG 3.43Å; F500-P551 HydrophobicContact CE2-CB 3.38Å; F500-P551 HydrophobicContact CE2-CG 3.51Å; F500-P551 HydrophobicContact CG-CG 4.25Å; F500-P551 HydrophobicContact CZ-CB 3.82Å; F500-P551 HydrophobicContact CZ-CG 4.35Å; P551-N553 PolarHBondContact O-N 3.1Å; P551-N553 VanDerWaalsContact O-N 3.17Å; P551-S554 WeakPolarHBondContact O-CB 3.17Å; P551-S554 PolarHBondContact O-N 3.46Å; P551-W590 HydrophobicContact CB-CE3 3.86Å; P551-W590 HydrophobicContact CB-CZ3 4.03Å; P551-W590 VanDerWaalsContact O-CB 3.26Å; P551-W590 WeakPolarHBondContact O-CB 3.36Å
552	C	96.5	Very high	95.5	Very high	68 Å²	68	28 Å²	28	46%	0.459	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-64.9	-17.5	-178.8	60.3	0	0	0	0	115.7	E550 W590	E550-C552 PolarHBondContact O-N 2.87Å; C552-W590 HydrophobicContact CB-CD2 4.29Å; C552-W590 HydrophobicContact CB-CZ2 3.91Å
553	N	97.3	Very high	95.2	Very high	63 Å²	63	23.9 Å²	23.9	34%	0.337	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-104.2	2.9	176.3	-62	-62.3	0	0	0	112.5	Y525 I549 E550 P551	Y525-N553 HydrophobicContact CD1-CB 3.65Å; Y525-N553 HydrophobicContact CD2-CB 4.13Å; Y525-N553 HydrophobicContact CE1-CB 4.02Å; Y525-N553 WeakPolarHBondContact CE1-OD1 3.33Å; Y525-N553 HydrophobicContact CE2-CB 4.48Å; Y525-N553 HydrophobicContact CG-CB 3.71Å; I549-N553 HydrophobicContact CD1-CB 4.28Å; I549-N553 WeakPolarHBondContact CD1-O 3.32Å; I549-N553 HydrophobicContact CG1-CB 4.23Å; E550-N553 PolarHBondContact O-N 3.41Å; P551-N553 PolarHBondContact O-N 3.1Å; P551-N553 VanDerWaalsContact O-N 3.17Å
554	S	97.6	Very high	95.3	Very high	14 Å²	14	22.8 Å²	22.8	10%	0.098	12%	0.121	C	C	.	.			trans	-96	-177.9	-172.5	-158.9	0	0	0	0	112.7	I466 P551	I466-S554 VanDerWaalsContact O-CB 3.26Å; I466-S554 WeakPolarHBondContact O-CB 3.5Å; I466-S554 PolarHBondContact O-OG 3.15Å; P551-S554 WeakPolarHBondContact O-CB 3.17Å; P551-S554 PolarHBondContact O-N 3.46Å
555	V	97.6	Very high	95.1	Very high	11 Å²	11	20.2 Å²	20.2	7%	0.067	11%	0.111	C	C	.	.			trans	-130.1	138.9	-173.8	176.6	0	0	0	0	109.5	I466 L518 K521 L522 I584	I466-V555 PolarHBondContact N-O 3.48Å; I466-V555 VanDerWaalsContact N-O 3.15Å; L518-V555 HydrophobicContact CD1-CB 4.32Å; L518-V555 HydrophobicContact CD1-CG1 4.35Å; L518-V555 HydrophobicContact CD1-CG2 4.28Å; K521-V555 HydrophobicContact CD-CG2 4.18Å; L522-V555 HydrophobicContact CD2-CG2 3.93Å; V555-I584 HydrophobicContact CG1-CG2 3.51Å
556	I	98.5	Very high	94.8	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	136.7	171.9	-67.8	178.7	0	0	0	109.3	D463 I464 L465 R585 K588 E589 E592 C593	D463-I556 HydrophobicContact CB-CG2 3.86Å; I464-I556 WeakPolarHBondContact O-CA 3.47Å; L465-I556 HydrophobicContact CD1-CG1 3.7Å; I556-R585 HydrophobicContact CB-CB 4.13Å; I556-R585 HydrophobicContact CG2-CB 3.91Å; I556-R585 HydrophobicContact CG2-CG 4.11Å; I556-R585 PolarHBondContact O-N 3.12Å; I556-K588 HydrophobicContact CD1-CB 4.02Å; I556-E589 WeakPolarHBondContact CD1-O 3.04Å; I556-E592 HydrophobicContact CD1-CB 4.27Å; I556-C593 HydrophobicContact CD1-CB 4.25Å
557	V	97.4	Very high	94.8	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.4	172.4	-70.7	0	0	0	0	109.4	I464 I466 I559 I581	I464-V557 HydrophobicContact CG1-CG2 4.22Å; I464-V557 PolarHBondContact N-O 3.13Å; I464-V557 WeakPolarHBondContact O-CG2 3.26Å; I464-V557 PolarHBondContact O-N 3.39Å; I466-V557 HydrophobicContact CD1-CG1 3.74Å; I466-V557 HydrophobicContact CG1-CG1 4.13Å; I466-V557 HydrophobicContact CG1-CG2 4.09Å; V557-I559 HydrophobicContact CB-CD1 4.16Å; V557-I559 HydrophobicContact CG2-CD1 3.73Å; V557-I559 HydrophobicContact CG2-CG1 4.1Å; V557-I581 HydrophobicContact CB-CG1 4.36Å; V557-I581 HydrophobicContact CB-CG2 4.2Å; V557-I581 HydrophobicContact CG1-CD1 4.46Å; V557-I581 HydrophobicContact CG1-CG2 4.26Å
558	Q	97	Very high	94.6	Very high	21 Å²	21	26.3 Å²	26.3	10%	0.098	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	117.5	172.3	-170.8	175.6	30.6	0	0	108.4	E461 L462 D463 E582 K583 R585	E461-Q558 HydrophobicContact CB-CG 4.1Å; E461-Q558 PolarHBondContact OE2-NE2 3.08Å; L462-Q558 CarbonylContact O-C 3.51Å; D463-Q558 WeakPolarHBondContact OD1-CB 3.41Å; D463-Q558 WeakPolarHBondContact OD1-CG 3.43Å; Q558-E582 PolarHBondContact O-N 2.78Å; Q558-K583 HydrophobicContact CB-CB 4.19Å; Q558-K583 PolarHBondContact N-O 3.22Å; Q558-R585 HydrophobicContact CB-CG 3.88Å
559	I	94.8	Very high	94.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.7	-176.4	-58.6	-55.5	0	0	0	110.3	L462 I464 V506 V557 L576 P579 R580 I581	L462-I559 HydrophobicContact CB-CB 4.41Å; L462-I559 PolarHBondContact N-O 3.44Å; L462-I559 PolarHBondContact O-N 3.46Å; I464-I559 HydrophobicContact CD1-CB 4.33Å; I464-I559 HydrophobicContact CD1-CG1 3.56Å; I464-I559 HydrophobicContact CG1-CB 4.49Å; I464-I559 HydrophobicContact CG1-CG1 3.58Å; V506-I559 HydrophobicContact CB-CD1 4.49Å; V506-I559 HydrophobicContact CG1-CD1 4.18Å; V506-I559 HydrophobicContact CG2-CD1 4.16Å; V557-I559 HydrophobicContact CB-CD1 4.16Å; V557-I559 HydrophobicContact CG2-CD1 3.73Å; V557-I559 HydrophobicContact CG2-CG1 4.1Å; I559-L576 HydrophobicContact CG2-CD1 3.7Å; I559-P579 HydrophobicContact CG2-CB 3.94Å; I559-R580 WeakPolarHBondContact CA-O 3.41Å; I559-I581 HydrophobicContact CD1-CB 4.17Å; I559-I581 HydrophobicContact CD1-CG1 3.51Å
560	K	92.4	Very high	94.2	Very high	28 Å²	28	29.2 Å²	29.2	12%	0.122	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.7	163.9	-174.4	175.4	-69.8	161	0	109.1	M459 E461 P579 R580 E582	M459-K560 HydrophobicContact CB-CG 4.34Å; M459-K560 HydrophobicContact CG-CD 4.31Å; M459-K560 HydrophobicContact CG-CG 4.26Å; E461-K560 WeakPolarHBondContact OE1-CE 3.48Å; E461-K560 IonicContact OE1-NZ 2.81Å; K560-P579 CarbonylContact O-C 3.52Å; K560-P579 WeakPolarHBondContact O-CA 3.5Å; K560-R580 PolarHBondContact N-O 2.9Å; K560-R580 PolarHBondContact O-N 2.93Å; K560-E582 HydrophobicContact CB-CG 3.4Å; K560-E582 VanDerWaalsContact CB-CG 3.4Å; K560-E582 HydrophobicContact CD-CG 4.23Å; K560-E582 HydrophobicContact CG-CG 4.45Å; K560-E582 IonicContact NZ-OE1 3.77Å; K560-E582 IonicContact NZ-OE2 3.74Å; K560-E582 PolarHBondContact NZ-OE2 3.21Å
561	A	91.2	Very high	94.2	Very high	3 Å²	3	32.1 Å²	32.1	3%	0.025	18%	0.177	C	C	.	.			trans	-143.2	157.5	177.5	0	0	0	0	0	109	M459 L576 L610	M459-A561 WeakPolarHBondContact CE-O 3.31Å; A561-L576 HydrophobicContact CB-CB 3.8Å; A561-L576 HydrophobicContact CB-CD1 4.3Å; A561-L576 HydrophobicContact CB-CD2 4.25Å; A561-L576 HydrophobicContact CB-CG 4.33Å; A561-L610 HydrophobicContact CB-CD1 3.72Å; A561-L610 VanDerWaalsContact O-CD1 3.32Å; A561-L610 WeakPolarHBondContact O-CD1 3.43Å
562	A	87.4	Confident	94.2	Very high	18 Å²	18	33 Å²	33	15%	0.149	18%	0.182	C	C	.	.	S	Bend	trans	-74.2	-42.4	179.3	0	0	0	0	0	111.5	R577 F578 L610	A562-R577 PolarHBondContact N-O 3.18Å; A562-F578 HydrophobicContact CB-CD2 4.18Å; A562-L610 PolarHBondContact O-N 2.62Å
563	E	89.6	Confident	94.1	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	161.5	-174.2	56.2	178.9	177.9	0	0	112.5	Q344 V565 R577 G608 K609	Q344-E563 PolarHBondContact OE1-OE2 3.43Å; E563-V565 HydrophobicContact CG-CG1 3.79Å; E563-R577 HydrophobicContact CG-CB 3.65Å; E563-R577 HydrophobicContact CG-CG 4.41Å; E563-R577 PolarHBondContact O-N 2.95Å; E563-R577 WeakPolarHBondContact OE1-CD 3.34Å; E563-R577 IonicContact OE1-CZ 3.72Å; E563-R577 IonicContact OE1-NE 3.47Å; E563-R577 IonicContact OE1-NH1 3.59Å; E563-R577 PolarHBondContact OE1-NH1 3.31Å; E563-G608 CarbonylContact C-O 3.49Å; E563-G608 WeakPolarHBondContact CA-O 3.16Å; E563-G608 WeakPolarHBondContact CB-O 3.47Å; E563-K609 HydrophobicContact CB-CD 3.98Å; E563-K609 WeakPolarHBondContact OE2-CD 3.49Å; E563-K609 WeakPolarHBondContact OE2-CE 3.5Å; E563-K609 IonicContact OE2-NZ 2.8Å; E563-K609 PolarHBondContact OE2-NZ 3.49Å
564	I	93.8	Very high	94	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.036	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.7	170.9	-58.3	167.8	0	0	0	108.2	C574 T575 L576 L599 L602 R603 G608 L610	I564-C574 HydrophobicContact CG2-CB 3.79Å; I564-T575 CarbonylContact C-O 3.02Å; I564-T575 WeakPolarHBondContact CA-O 3.41Å; I564-L576 HydrophobicContact CG1-CD2 3.87Å; I564-L599 HydrophobicContact CD1-CD1 3.82Å; I564-L602 HydrophobicContact CD1-CB 4.16Å; I564-R603 HydrophobicContact CB-CG 4.49Å; I564-R603 HydrophobicContact CD1-CB 4.11Å; I564-R603 HydrophobicContact CG2-CB 4.49Å; I564-R603 HydrophobicContact CG2-CG 4.13Å; I564-G608 PolarHBondContact N-O 3.48Å; I564-L610 HydrophobicContact CD1-CD2 4.08Å; I564-L610 HydrophobicContact CG1-CD1 4.43Å; I564-L610 HydrophobicContact CG1-CD2 4.28Å; I564-L610 HydrophobicContact CG1-CG 4.42Å
565	V	90.8	Very high	93.9	Very high	19 Å²	19	28.8 Å²	28.8	12%	0.115	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.4	-177.5	-61.3	0	0	0	0	111.6	E563 C574 T575 R577	E563-V565 HydrophobicContact CG-CG1 3.79Å; V565-C574 CarbonylContact O-C 3.52Å; V565-C574 WeakPolarHBondContact O-CA 3.44Å; V565-C574 VanDerWaalsContact O-CB 3.32Å; V565-C574 WeakPolarHBondContact O-CB 3.29Å; V565-T575 HydrophobicContact CG2-CG2 3.83Å; V565-T575 PolarHBondContact N-O 3.18Å; V565-T575 PolarHBondContact O-N 3.49Å; V565-R577 HydrophobicContact CG1-CB 4.32Å
566	P	90.9	Very high	93.7	Very high	76 Å²	76	28.7 Å²	28.7	49%	0.494	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	141	175.2	-23.1	34	0	0	0	112.7
567	S	91.2	Very high	93.4	Very high	19 Å²	19	30.2 Å²	30.2	13%	0.133	17%	0.169	C	C	.	.			trans	-155.2	133.9	178	-168.4	0	0	0	0	112.2	M569 G573	S567-M569 PolarHBondContact OG-N 3.36Å; S567-G573 PolarHBondContact N-O 3.37Å; S567-G573 CarbonylContact O-C 3.54Å; S567-G573 VanDerWaalsContact O-CA 3.26Å; S567-G573 WeakPolarHBondContact O-CA 3.32Å; S567-G573 VanDerWaalsContact O-O 3.12Å
568	D	91.3	Very high	93	Very high	108 Å²	108	35.3 Å²	35.3	58%	0.578	19%	0.191	S	C	*	.	S	Bend	trans	-88.5	-4.9	171.4	56.8	-13.6	0	0	0	113	T542	T542-D568 PolarHBondContact OG1-O 2.9Å
569	M	91.9	Very high	92.8	Very high	68 Å²	68	35.4 Å²	35.4	34%	0.335	19%	0.193	S	C	.	.	S	Bend	trans	-77.8	-25.2	-179.7	-66.3	-64.5	-62.8	0	0	112.8	G541 T542 E543 S567	G541-M569 CarbonylContact C-O 3.58Å; G541-M569 WeakPolarHBondContact CA-O 3.22Å; T542-M569 HydrophobicContact CG2-CE 4.33Å; T542-M569 HydrophobicContact CG2-SD 4.09Å; T542-M569 PolarHBondContact N-O 2.87Å; E543-M569 HydrophobicContact CB-CB 4.48Å; E543-M569 HydrophobicContact CB-CE 4.03Å; E543-M569 WeakPolarHBondContact CB-O 3.29Å; E543-M569 PolarHBondContact N-O 2.84Å; E543-M569 WeakPolarHBondContact OE2-CE 3.45Å; S567-M569 PolarHBondContact OG-N 3.36Å
570	Y	96.9	Very high	92.6	Very high	28 Å²	28	41.9 Å²	41.9	11%	0.11	22%	0.218	C	C	.	.	S	Bend	trans	-121.3	156.1	-170.2	-60.6	-79.1	0	0	0	111.4	L484 T502 L503 R505 E543 T572 G573 T575	L484-Y570 HydrophobicContact CD1-CD1 4.14Å; L484-Y570 HydrophobicContact CD1-CE1 3.78Å; T502-Y570 WeakPolarHBondContact O-CB 3.47Å; L503-Y570 WeakPolarHBondContact O-CD1 3.33Å; L503-Y570 WeakPolarHBondContact O-CD2 3.33Å; R505-Y570 WeakPolarHBondContact CB-OH 3.46Å; R505-Y570 PolarHBondContact N-OH 3.23Å; R505-Y570 VanDerWaalsContact N-OH 3.14Å; E543-Y570 HydrophobicContact CB-CD1 4.43Å; E543-Y570 HydrophobicContact CB-CE1 4.1Å; E543-Y570 HydrophobicContact CG-CE1 4.13Å; Y570-T572 VanDerWaalsContact C-N 3.32Å; Y570-T572 PolarHBondContact O-N 3.34Å; Y570-G573 PolarHBondContact O-N 2.99Å; Y570-T575 VanDerWaalsContact CD2-CB 3.49Å; Y570-T575 HydrophobicContact CD2-CG2 4.33Å; Y570-T575 WeakPolarHBondContact CD2-OG1 3.47Å; Y570-T575 HydrophobicContact CE2-CG2 4.19Å; Y570-T575 WeakPolarHBondContact CE2-OG1 3.36Å
571	K	97.4	Very high	92.5	Very high	105 Å²	105	40.8 Å²	40.8	46%	0.457	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-28.3	-172.1	-177.6	60.9	179.4	172.4	0	113	H501 T502 L539 G573	H501-K571 HydrophobicContact CB-CB 4.33Å; H501-K571 HydrophobicContact CB-CG 4.18Å; T502-K571 PolarHBondContact O-N 2.94Å; T502-K571 WeakPolarHBondContact OG1-CB 3.37Å; T502-K571 PolarHBondContact OG1-N 3.14Å; T502-K571 VanDerWaalsContact OG1-N 3.13Å; L539-K571 HydrophobicContact CB-CD 4.27Å; L539-K571 HydrophobicContact CB-CG 3.81Å; L539-K571 WeakPolarHBondContact O-CB 3.43Å; L539-K571 WeakPolarHBondContact O-CG 3.5Å; K571-G573 PolarHBondContact O-N 3.38Å
572	T	96.5	Very high	92.5	Very high	25 Å²	25	44.4 Å²	44.4	15%	0.153	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.8	175.7	52.2	0	0	0	0	113.7	V487 H501 T502 L503 Y570 C574 L596 L599	V487-T572 HydrophobicContact CG2-CG2 3.76Å; H501-T572 HydrophobicContact CB-CG2 3.95Å; T502-T572 WeakPolarHBondContact O-CG2 3.28Å; T502-T572 PolarHBondContact O-N 2.67Å; T502-T572 PolarHBondContact O-OG1 2.91Å; L503-T572 HydrophobicContact CB-CG2 4.22Å; L503-T572 HydrophobicContact CD1-CG2 4.18Å; L503-T572 WeakPolarHBondContact CD1-OG1 3.4Å; Y570-T572 VanDerWaalsContact C-N 3.32Å; Y570-T572 PolarHBondContact O-N 3.34Å; T572-C574 PolarHBondContact O-N 2.81Å; T572-C574 PolarHBondContact OG1-O 3.21Å; T572-L596 HydrophobicContact CG2-CD2 3.93Å; T572-L599 HydrophobicContact CG2-CD2 3.86Å
573	G	94.4	Very high	92.8	Very high	39 Å²	39	49.8 Å²	49.8	40%	0.402	25%	0.25	S	C	.	.	S	Bend	trans	72.2	4	-174.4	0	0	0	0	0	114.2	S567 Y570 K571	S567-G573 PolarHBondContact N-O 3.37Å; S567-G573 CarbonylContact O-C 3.54Å; S567-G573 VanDerWaalsContact O-CA 3.26Å; S567-G573 WeakPolarHBondContact O-CA 3.32Å; S567-G573 VanDerWaalsContact O-O 3.12Å; Y570-G573 PolarHBondContact O-N 2.99Å; K571-G573 PolarHBondContact O-N 3.38Å
574	C	94.9	Very high	93.1	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	169.5	176.5	63.7	0	0	0	0	110.5	I564 V565 T572	I564-C574 HydrophobicContact CG2-CB 3.79Å; V565-C574 CarbonylContact O-C 3.52Å; V565-C574 WeakPolarHBondContact O-CA 3.44Å; V565-C574 VanDerWaalsContact O-CB 3.32Å; V565-C574 WeakPolarHBondContact O-CB 3.29Å; T572-C574 PolarHBondContact O-N 2.81Å; T572-C574 PolarHBondContact OG1-O 3.21Å
575	T	96.1	Very high	93.2	Very high	17 Å²	17	52.9 Å²	52.9	10%	0.104	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	175	174.1	-158.7	0	0	0	0	111.4	L503 S504 I564 V565 Y570	L503-T575 WeakPolarHBondContact O-CA 3.49Å; L503-T575 WeakPolarHBondContact O-CB 3.39Å; L503-T575 PolarHBondContact O-OG1 2.95Å; S504-T575 WeakPolarHBondContact CB-OG1 3.49Å; S504-T575 PolarHBondContact OG-OG1 2.86Å; I564-T575 CarbonylContact C-O 3.02Å; I564-T575 WeakPolarHBondContact CA-O 3.41Å; V565-T575 HydrophobicContact CG2-CG2 3.83Å; V565-T575 PolarHBondContact N-O 3.18Å; V565-T575 PolarHBondContact O-N 3.49Å; Y570-T575 VanDerWaalsContact CD2-CB 3.49Å; Y570-T575 HydrophobicContact CD2-CG2 4.33Å; Y570-T575 WeakPolarHBondContact CD2-OG1 3.47Å; Y570-T575 HydrophobicContact CE2-CG2 4.19Å; Y570-T575 WeakPolarHBondContact CE2-OG1 3.36Å
576	L	94.3	Very high	93.3	Very high	8 Å²	8	58.6 Å²	58.6	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.6	-179.8	-57.6	179.7	0	0	0	110.7	L462 I464 L503 I559 A561 I564 P579	L462-L576 HydrophobicContact CD1-CD2 4.43Å; L462-L576 HydrophobicContact CD2-CD1 4.24Å; L462-L576 HydrophobicContact CD2-CD2 3.79Å; I464-L576 HydrophobicContact CD1-CD1 4.35Å; L503-L576 HydrophobicContact CD2-CD1 4.17Å; L503-L576 HydrophobicContact CD2-CD2 4.36Å; L503-L576 HydrophobicContact CD2-CG 4.19Å; L503-L576 HydrophobicContact CG-CG 4.3Å; I559-L576 HydrophobicContact CG2-CD1 3.7Å; A561-L576 HydrophobicContact CB-CB 3.8Å; A561-L576 HydrophobicContact CB-CD1 4.3Å; A561-L576 HydrophobicContact CB-CD2 4.25Å; A561-L576 HydrophobicContact CB-CG 4.33Å; I564-L576 HydrophobicContact CG1-CD2 3.87Å; L576-P579 HydrophobicContact CB-CB 3.91Å; L576-P579 HydrophobicContact CB-CG 4.31Å; L576-P579 HydrophobicContact CD1-CB 4.35Å; L576-P579 WeakPolarHBondContact O-CD 3.49Å
577	R	90.5	Very high	93.5	Very high	34 Å²	34	60.2 Å²	60.2	13%	0.128	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.9	171.7	-165.1	-178.6	178.4	-159	-5.8	110.5	D275 A562 E563 V565	D275-R577 IonicContact OD1-CZ 3.93Å; D275-R577 IonicContact OD1-NH1 3.79Å; D275-R577 IonicContact OD1-NH2 3.75Å; D275-R577 PolarHBondContact OD1-NH2 3.19Å; D275-R577 IonicContact OD2-CZ 3.69Å; D275-R577 IonicContact OD2-NH1 3.5Å; D275-R577 PolarHBondContact OD2-NH1 3.05Å; D275-R577 IonicContact OD2-NH2 3.34Å; D275-R577 PolarHBondContact OD2-NH2 3.33Å; D275-R577 VanDerWaalsContact OD2-NH2 3.14Å; A562-R577 PolarHBondContact N-O 3.18Å; E563-R577 HydrophobicContact CG-CB 3.65Å; E563-R577 HydrophobicContact CG-CG 4.41Å; E563-R577 PolarHBondContact O-N 2.95Å; E563-R577 WeakPolarHBondContact OE1-CD 3.34Å; E563-R577 IonicContact OE1-CZ 3.72Å; E563-R577 IonicContact OE1-NE 3.47Å; E563-R577 IonicContact OE1-NH1 3.59Å; E563-R577 PolarHBondContact OE1-NH1 3.31Å; V565-R577 HydrophobicContact CG1-CB 4.32Å
578	F	88.8	Confident	93.7	Very high	106 Å²	106	61.7 Å²	61.7	47%	0.465	30%	0.297	S	S	.	.	S	Bend	trans	53.4	47	-175.2	-51.7	-46.5	0	0	0	115.3	A562	A562-F578 HydrophobicContact CB-CD2 4.18Å
579	P	93.2	Very high	94	Very high	24 Å²	24	61.9 Å²	61.9	16%	0.156	30%	0.295	C	S	.	.			trans	-69.7	138.5	-177.3	31.1	-34.7	0	0	0	111.8	V506 I559 K560 L576	V506-P579 HydrophobicContact CG2-CB 4.35Å; I559-P579 HydrophobicContact CG2-CB 3.94Å; K560-P579 CarbonylContact O-C 3.52Å; K560-P579 WeakPolarHBondContact O-CA 3.5Å; L576-P579 HydrophobicContact CB-CB 3.91Å; L576-P579 HydrophobicContact CB-CG 4.31Å; L576-P579 HydrophobicContact CD1-CB 4.35Å; L576-P579 WeakPolarHBondContact O-CD 3.49Å
580	R	90.6	Very high	94.3	Very high	137 Å²	137	60.5 Å²	60.5	52%	0.517	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.6	174.3	-51.1	-169.8	-179.3	-165.5	-0	110.2	S508 I559 K560 E582	S508-R580 WeakPolarHBondContact O-CA 3.48Å; I559-R580 WeakPolarHBondContact CA-O 3.41Å; K560-R580 PolarHBondContact N-O 2.9Å; K560-R580 PolarHBondContact O-N 2.93Å; R580-E582 PolarHBondContact O-N 2.99Å
581	I	91.8	Very high	94.3	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	114.8	171	-61.2	164	0	0	0	107.6	F483 V506 S508 G509 C510 V557 I559	F483-I581 HydrophobicContact CD2-CD1 4.2Å; V506-I581 HydrophobicContact CG1-CD1 4.03Å; V506-I581 HydrophobicContact CG1-CG1 4Å; V506-I581 HydrophobicContact CG2-CD1 4.34Å; V506-I581 HydrophobicContact CG2-CG1 3.81Å; S508-I581 PolarHBondContact O-N 3.29Å; G509-I581 CarbonylContact C-O 3.52Å; G509-I581 VanDerWaalsContact C-O 3.26Å; G509-I581 WeakPolarHBondContact CA-O 3.09Å; C510-I581 VanDerWaalsContact SG-CD1 3.56Å; V557-I581 HydrophobicContact CB-CG1 4.36Å; V557-I581 HydrophobicContact CB-CG2 4.2Å; V557-I581 HydrophobicContact CG1-CD1 4.46Å; V557-I581 HydrophobicContact CG1-CG2 4.26Å; I559-I581 HydrophobicContact CD1-CB 4.17Å; I559-I581 HydrophobicContact CD1-CG1 3.51Å
582	E	90.8	Very high	94.2	Very high	79 Å²	79	61.3 Å²	61.3	37%	0.369	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-45.4	171.9	-67.5	-67.3	128.2	0	0	110.3	Q558 K560 R580	Q558-E582 PolarHBondContact O-N 2.78Å; K560-E582 HydrophobicContact CB-CG 3.4Å; K560-E582 VanDerWaalsContact CB-CG 3.4Å; K560-E582 HydrophobicContact CD-CG 4.23Å; K560-E582 HydrophobicContact CG-CG 4.45Å; K560-E582 IonicContact NZ-OE1 3.77Å; K560-E582 IonicContact NZ-OE2 3.74Å; K560-E582 PolarHBondContact NZ-OE2 3.21Å; R580-E582 PolarHBondContact O-N 2.99Å
583	K	93.1	Very high	94.3	Very high	132 Å²	132	60.4 Å²	60.4	57%	0.574	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.4	-177.1	-61.7	-177.6	-171.5	161.6	0	111.7	Q558	Q558-K583 HydrophobicContact CB-CB 4.19Å; Q558-K583 PolarHBondContact N-O 3.22Å
584	I	95.1	Very high	94.4	Very high	41 Å²	41	59.4 Å²	59.4	21%	0.21	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.3	165.7	-58	172.7	0	0	0	106.6	E514 L518 V555 E586	E514-I584 HydrophobicContact CB-CD1 4.21Å; L518-I584 HydrophobicContact CB-CD1 4.13Å; L518-I584 HydrophobicContact CD1-CD1 4.49Å; L518-I584 HydrophobicContact CD1-CG2 4.41Å; L518-I584 HydrophobicContact CD2-CD1 4.1Å; L518-I584 HydrophobicContact CG-CD1 4.47Å; V555-I584 HydrophobicContact CG1-CG2 3.51Å; I584-E586 HydrophobicContact CG2-CG 4.16Å; I584-E586 PolarHBondContact O-N 2.96Å; I584-E586 VanDerWaalsContact O-N 3.09Å
585	R	96.2	Very high	94.6	Very high	40 Å²	40	60.4 Å²	60.4	15%	0.151	28%	0.278	C	S	.	.			trans	-87	75.1	-172.4	-65.2	-62	-59.4	-86.1	6.2	111.1	D463 I556 Q558 D587 K588	D463-R585 IonicContact OD1-CZ 2.93Å; D463-R585 IonicContact OD1-NH1 3.37Å; D463-R585 PolarHBondContact OD1-NH1 3.31Å; D463-R585 IonicContact OD2-CZ 3.8Å; D463-R585 IonicContact OD2-NH1 3.84Å; D463-R585 PolarHBondContact OD2-NH1 3.21Å; I556-R585 HydrophobicContact CB-CB 4.13Å; I556-R585 HydrophobicContact CG2-CB 3.91Å; I556-R585 HydrophobicContact CG2-CG 4.11Å; I556-R585 PolarHBondContact O-N 3.12Å; Q558-R585 HydrophobicContact CB-CG 3.88Å; R585-D587 WeakPolarHBondContact CA-OD1 3.39Å; R585-D587 IonicContact CZ-OD1 3.72Å; R585-D587 IonicContact CZ-OD2 3.58Å; R585-D587 IonicContact NE-OD1 3.14Å; R585-D587 PolarHBondContact NE-OD1 2.88Å; R585-D587 IonicContact NE-OD2 2.74Å; R585-D587 PolarHBondContact NE-OD2 3.42Å; R585-D587 IonicContact NH2-OD1 2.69Å; R585-D587 IonicContact NH2-OD2 2.84Å; R585-D587 PolarHBondContact NH2-OD2 3.32Å; R585-D587 PolarHBondContact O-N 2.84Å; R585-K588 HydrophobicContact CB-CB 4.2Å; R585-K588 HydrophobicContact CB-CD 4.5Å; R585-K588 HydrophobicContact CB-CG 4.39Å; R585-K588 VanDerWaalsContact NH2-CE 3.33Å; R585-K588 PolarHBondContact O-N 3.27Å
586	E	92.7	Very high	94.6	Very high	138 Å²	138	61.8 Å²	61.8	65%	0.645	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-14.3	175.5	-55.9	-153.6	128.5	0	0	113.4	K521 I584 K588	K521-E586 IonicContact NZ-OE1 2.67Å; K521-E586 PolarHBondContact NZ-OE1 3.11Å; I584-E586 HydrophobicContact CG2-CG 4.16Å; I584-E586 PolarHBondContact O-N 2.96Å; I584-E586 VanDerWaalsContact O-N 3.09Å; E586-K588 VanDerWaalsContact C-N 3.3Å
587	D	95.6	Very high	94.6	Very high	110 Å²	110	65.5 Å²	65.5	59%	0.588	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.1	174.1	62.3	-58.1	0	0	0	113.6	R585	R585-D587 WeakPolarHBondContact CA-OD1 3.39Å; R585-D587 IonicContact CZ-OD1 3.72Å; R585-D587 IonicContact CZ-OD2 3.58Å; R585-D587 IonicContact NE-OD1 3.14Å; R585-D587 PolarHBondContact NE-OD1 2.88Å; R585-D587 IonicContact NE-OD2 2.74Å; R585-D587 PolarHBondContact NE-OD2 3.42Å; R585-D587 IonicContact NH2-OD1 2.69Å; R585-D587 IonicContact NH2-OD2 2.84Å; R585-D587 PolarHBondContact NH2-OD2 3.32Å; R585-D587 PolarHBondContact O-N 2.84Å
588	K	96.3	Very high	94.8	Very high	50 Å²	50	67 Å²	67	22%	0.217	31%	0.314	C	S	.	.	S	Bend	trans	-113.8	138.6	179.1	-70.4	-169.1	157	-169.5	0	111.9	D463 I556 R585 E586 E592	D463-K588 IonicContact OD2-NZ 2.94Å; D463-K588 PolarHBondContact OD2-NZ 2.98Å; I556-K588 HydrophobicContact CD1-CB 4.02Å; R585-K588 HydrophobicContact CB-CB 4.2Å; R585-K588 HydrophobicContact CB-CD 4.5Å; R585-K588 HydrophobicContact CB-CG 4.39Å; R585-K588 VanDerWaalsContact NH2-CE 3.33Å; R585-K588 PolarHBondContact O-N 3.27Å; E586-K588 VanDerWaalsContact C-N 3.3Å; K588-E592 HydrophobicContact CB-CB 4.48Å
589	E	97.4	Very high	95.1	Very high	113 Å²	113	62.1 Å²	62.1	53%	0.528	29%	0.293	S	S	.	.			trans	-78.3	153.1	169.9	-67.8	-62.2	148.3	0	0	111.3	I556 H591 E592	I556-E589 WeakPolarHBondContact CD1-O 3.04Å; E589-H591 PolarHBondContact O-N 3.25Å; E589-E592 HydrophobicContact CB-CG 4.44Å; E589-E592 PolarHBondContact N-OE1 3.38Å; E589-E592 WeakPolarHBondContact O-CB 3.4Å; E589-E592 PolarHBondContact O-N 3.23Å
590	W	97.4	Very high	95.1	Very high	39 Å²	39	66.1 Å²	66.1	15%	0.148	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-55.5	-29.3	-175.3	67.7	-90.1	0	0	0	114.7	L465 K496 P497 F500 P551 C552 E592 C593	L465-W590 HydrophobicContact CD1-CB 3.85Å; K496-W590 HydrophobicContact CB-CH2 3.79Å; K496-W590 HydrophobicContact CB-CZ2 4.09Å; K496-W590 HydrophobicContact CD-CH2 4.34Å; K496-W590 HydrophobicContact CD-CZ2 3.75Å; P497-W590 WeakPolarHBondContact O-CH2 3.42Å; P497-W590 VanDerWaalsContact O-CZ3 3.23Å; P497-W590 WeakPolarHBondContact O-CZ3 3.44Å; F500-W590 HydrophobicContact CE2-CE3 4.37Å; F500-W590 AromaticContact CE2-CZ3 3.97Å; F500-W590 HydrophobicContact CE2-CZ3 3.97Å; F500-W590 AromaticContact CZ-CE3 3.87Å; F500-W590 HydrophobicContact CZ-CE3 3.87Å; F500-W590 AromaticContact CZ-CZ3 3.79Å; F500-W590 HydrophobicContact CZ-CZ3 3.79Å; P551-W590 HydrophobicContact CB-CE3 3.86Å; P551-W590 HydrophobicContact CB-CZ3 4.03Å; P551-W590 VanDerWaalsContact O-CB 3.26Å; P551-W590 WeakPolarHBondContact O-CB 3.36Å; C552-W590 HydrophobicContact CB-CD2 4.29Å; C552-W590 HydrophobicContact CB-CZ2 3.91Å; W590-E592 VanDerWaalsContact C-N 3.3Å; W590-C593 WeakPolarHBondContact O-CB 3.34Å
591	H	96.3	Very high	95.2	Very high	57 Å²	57	66.4 Å²	66.4	26%	0.264	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-83.7	-3.8	-179.2	57.3	73.6	0	0	0	113.4	K496 E589	K496-H591 HydrophobicContact CB-CB 4.11Å; K496-H591 HydrophobicContact CD-CB 4.23Å; K496-H591 VanDerWaalsContact CE-CD2 3.48Å; K496-H591 WeakPolarHBondContact CE-CD2 3.3Å; K496-H591 WeakPolarHBondContact CE-NE2 3.48Å; K496-H591 HydrophobicContact CG-CB 4.09Å; K496-H591 PolarHBondContact NZ-CD2 3.03Å; K496-H591 PolarHBondContact NZ-NE2 3.31Å; E589-H591 PolarHBondContact O-N 3.25Å
592	E	96.8	Very high	95.2	Very high	92 Å²	92	67.9 Å²	67.9	43%	0.43	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-88.6	14.1	169.5	-58.9	178.3	-108.2	0	0	112.3	I556 K588 E589 W590	I556-E592 HydrophobicContact CD1-CB 4.27Å; K588-E592 HydrophobicContact CB-CB 4.48Å; E589-E592 HydrophobicContact CB-CG 4.44Å; E589-E592 PolarHBondContact N-OE1 3.38Å; E589-E592 WeakPolarHBondContact O-CB 3.4Å; E589-E592 PolarHBondContact O-N 3.23Å; W590-E592 VanDerWaalsContact C-N 3.3Å
593	C	97.5	Very high	95.2	Very high	7 Å²	7	67.5 Å²	67.5	5%	0.047	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-58.6	140.3	173.4	-177.3	0	0	0	0	110.1	L465 A486 A488 F500 I556 W590	L465-C593 HydrophobicContact CB-CB 4.16Å; L465-C593 PolarHBondContact N-SG 3.24Å; L465-C593 VanDerWaalsContact N-SG 3.43Å; A486-C593 PolarHBondContact O-SG 2.86Å; A488-C593 HydrophobicContact CB-CB 4.33Å; F500-C593 HydrophobicContact CE1-CB 3.99Å; I556-C593 HydrophobicContact CD1-CB 4.25Å; W590-C593 WeakPolarHBondContact O-CB 3.34Å
594	M	97.4	Very high	95	Very high	18 Å²	18	64 Å²	64	9%	0.089	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-57.5	148.5	174.1	75.9	-178.2	-65.3	0	0	111.4	L462 D463 I464 V487 A488 D598 L599 L602	L462-M594 HydrophobicContact CB-SD 3.7Å; L462-M594 HydrophobicContact CD2-CE 3.95Å; L462-M594 HydrophobicContact CD2-SD 3.83Å; L462-M594 HydrophobicContact CG-CE 4.3Å; L462-M594 HydrophobicContact CG-SD 4.06Å; D463-M594 WeakPolarHBondContact O-CB 3.28Å; D463-M594 WeakPolarHBondContact O-CG 3.41Å; D463-M594 PolarHBondContact O-N 2.89Å; I464-M594 HydrophobicContact CG2-CG 3.66Å; I464-M594 HydrophobicContact CG2-SD 3.22Å; I464-M594 WeakPolarHBondContact CG2-SD 3.37Å; V487-M594 WeakPolarHBondContact CA-O 3.16Å; V487-M594 HydrophobicContact CB-CG 4.24Å; V487-M594 WeakPolarHBondContact CB-O 3.2Å; V487-M594 HydrophobicContact CG1-CG 3.58Å; V487-M594 HydrophobicContact CG1-SD 3.93Å; A488-M594 PolarHBondContact N-O 3.36Å; M594-D598 HydrophobicContact CB-CB 4.45Å; M594-D598 HydrophobicContact CE-CB 4.27Å; M594-L599 HydrophobicContact CE-CB 4.01Å; M594-L599 HydrophobicContact CE-CD1 4.22Å; M594-L602 HydrophobicContact CE-CD1 3.86Å
595	T	97.9	Very high	94.7	Very high	22 Å²	22	67.2 Å²	67.2	14%	0.135	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-95.3	169	-176.5	67.5	0	0	0	0	112.5	A488 D597 D598 L599	A488-T595 CarbonylContact O-C 3.52Å; A488-T595 VanDerWaalsContact O-CA 3.23Å; A488-T595 WeakPolarHBondContact O-CA 3.42Å; T595-D597 VanDerWaalsContact C-N 3.26Å; T595-D597 PolarHBondContact O-N 3.05Å; T595-D597 PolarHBondContact OG1-N 2.96Å; T595-D598 WeakPolarHBondContact CB-OD2 3.49Å; T595-D598 PolarHBondContact N-OD2 3.11Å; T595-D598 PolarHBondContact O-N 3.01Å; T595-D598 PolarHBondContact OG1-N 2.96Å; T595-D598 PolarHBondContact OG1-OD2 3.49Å; T595-L599 PolarHBondContact O-N 2.88Å; T595-L599 VanDerWaalsContact O-N 3.1Å
596	L	96.5	Very high	94.1	Very high	46 Å²	46	65.4 Å²	65.4	24%	0.241	33%	0.327	C	S	.	.	H	α-helix	trans	-58.1	-38	169.2	-75.7	166.9	0	0	0	112.5	V487 A488 H501 T572 L599 E600	V487-L596 HydrophobicContact CG2-CD2 3.59Å; V487-L596 HydrophobicContact CG2-CG 3.96Å; A488-L596 PolarHBondContact O-N 2.95Å; H501-L596 HydrophobicContact CB-CD2 4.06Å; T572-L596 HydrophobicContact CG2-CD2 3.93Å; L596-L599 PolarHBondContact O-N 3.2Å; L596-E600 PolarHBondContact O-N 2.9Å
597	D	94.8	Very high	93.7	Very high	86 Å²	86	64 Å²	64	46%	0.46	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-45.6	178.2	-63.3	-9.9	0	0	0	110.7	K490 T595 L599 E600 Q601	K490-D597 WeakPolarHBondContact CD-OD2 3.49Å; K490-D597 IonicContact NZ-OD2 2.81Å; K490-D597 PolarHBondContact NZ-OD2 3.04Å; T595-D597 VanDerWaalsContact C-N 3.26Å; T595-D597 PolarHBondContact O-N 3.05Å; T595-D597 PolarHBondContact OG1-N 2.96Å; D597-L599 VanDerWaalsContact C-N 3.3Å; D597-L599 PolarHBondContact O-N 3.47Å; D597-E600 PolarHBondContact O-N 2.66Å; D597-Q601 WeakPolarHBondContact O-CB 3.37Å; D597-Q601 PolarHBondContact O-N 3Å
598	D	95.1	Very high	93.2	Very high	65 Å²	65	59 Å²	59	35%	0.348	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-40.9	177.8	-55.4	-45.1	0	0	0	111.1	M594 T595 Q601 L602	M594-D598 HydrophobicContact CB-CB 4.45Å; M594-D598 HydrophobicContact CE-CB 4.27Å; T595-D598 WeakPolarHBondContact CB-OD2 3.49Å; T595-D598 PolarHBondContact N-OD2 3.11Å; T595-D598 PolarHBondContact O-N 3.01Å; T595-D598 PolarHBondContact OG1-N 2.96Å; T595-D598 PolarHBondContact OG1-OD2 3.49Å; D598-Q601 PolarHBondContact O-N 3.48Å; D598-L602 WeakPolarHBondContact O-CG 3.3Å; D598-L602 PolarHBondContact O-N 2.8Å
599	L	95.7	Very high	92.7	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-43.8	177.4	-179.5	66.1	0	0	0	111.7	L462 V487 L503 I564 T572 M594 T595 L596 D597 L602 R603	L462-L599 HydrophobicContact CD2-CD1 4.09Å; V487-L599 HydrophobicContact CG1-CD2 4.36Å; V487-L599 HydrophobicContact CG2-CD2 4.25Å; L503-L599 HydrophobicContact CD1-CD1 4.28Å; L503-L599 HydrophobicContact CD1-CD2 3.78Å; L503-L599 HydrophobicContact CD2-CD1 4.12Å; L503-L599 HydrophobicContact CD2-CD2 4.38Å; I564-L599 HydrophobicContact CD1-CD1 3.82Å; T572-L599 HydrophobicContact CG2-CD2 3.86Å; M594-L599 HydrophobicContact CE-CB 4.01Å; M594-L599 HydrophobicContact CE-CD1 4.22Å; T595-L599 PolarHBondContact O-N 2.88Å; T595-L599 VanDerWaalsContact O-N 3.1Å; L596-L599 PolarHBondContact O-N 3.2Å; D597-L599 VanDerWaalsContact C-N 3.3Å; D597-L599 PolarHBondContact O-N 3.47Å; L599-L602 PolarHBondContact O-N 3.19Å; L599-R603 WeakPolarHBondContact O-CB 2.94Å; L599-R603 PolarHBondContact O-N 3Å
600	E	93.1	Very high	92.3	Very high	108 Å²	108	52.3 Å²	52.3	51%	0.505	28%	0.276	S	S	.	.	H	α-helix	trans	-68.9	-37.3	179.2	-168.7	57.9	-147.6	0	0	111.3	L596 D597 R603 G604	L596-E600 PolarHBondContact O-N 2.9Å; D597-E600 PolarHBondContact O-N 2.66Å; E600-R603 PolarHBondContact O-N 3.34Å; E600-R603 IonicContact OE2-NH1 3.49Å; E600-G604 PolarHBondContact O-N 3.43Å
601	Q	92.6	Very high	91.8	Very high	144 Å²	144	51 Å²	51	67%	0.673	27%	0.274	S	S	*	.	H	α-helix	trans	-60.8	-47.4	172.8	-171.8	-178.5	17.5	0	0	111.6	D597 D598 R603 G604 K605	D597-Q601 WeakPolarHBondContact O-CB 3.37Å; D597-Q601 PolarHBondContact O-N 3Å; D598-Q601 PolarHBondContact O-N 3.48Å; Q601-R603 VanDerWaalsContact C-N 3.29Å; Q601-R603 PolarHBondContact O-N 3.1Å; Q601-G604 PolarHBondContact O-N 3.33Å; Q601-K605 WeakPolarHBondContact O-CB 3.22Å; Q601-K605 PolarHBondContact O-N 3.33Å
602	L	91.3	Very high	91.3	Very high	34 Å²	34	49.8 Å²	49.8	18%	0.178	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-41.1	176.1	-75.5	174.2	0	0	0	111.7	D460 L462 I564 M594 D598 L599	D460-L602 HydrophobicContact CB-CD2 3.88Å; L462-L602 HydrophobicContact CG-CD1 4.33Å; I564-L602 HydrophobicContact CD1-CB 4.16Å; M594-L602 HydrophobicContact CE-CD1 3.86Å; D598-L602 WeakPolarHBondContact O-CG 3.3Å; D598-L602 PolarHBondContact O-N 2.8Å; L599-L602 PolarHBondContact O-N 3.19Å
603	R	90.9	Very high	90.8	Very high	71 Å²	71	49.9 Å²	49.9	27%	0.268	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-44.1	178.1	-171.4	-176.4	-177.2	-169.6	-1	112.1	I564 L599 E600 Q601 G608	I564-R603 HydrophobicContact CB-CG 4.49Å; I564-R603 HydrophobicContact CD1-CB 4.11Å; I564-R603 HydrophobicContact CG2-CB 4.49Å; I564-R603 HydrophobicContact CG2-CG 4.13Å; L599-R603 WeakPolarHBondContact O-CB 2.94Å; L599-R603 PolarHBondContact O-N 3Å; E600-R603 PolarHBondContact O-N 3.34Å; E600-R603 IonicContact OE2-NH1 3.49Å; Q601-R603 VanDerWaalsContact C-N 3.29Å; Q601-R603 PolarHBondContact O-N 3.1Å; R603-G608 PolarHBondContact O-N 2.7Å
604	G	88.1	Confident	90.3	Very high	58 Å²	58	52.9 Å²	52.9	60%	0.598	28%	0.283	S	S	*	.	H	α-helix	trans	-71.5	-30.1	-179.4	0	0	0	0	0	114.2	E600 Q601 A606	E600-G604 PolarHBondContact O-N 3.43Å; Q601-G604 PolarHBondContact O-N 3.33Å; G604-A606 PolarHBondContact O-N 2.65Å
605	K	88.3	Confident	89.7	Confident	110 Å²	110	53.6 Å²	53.6	48%	0.478	29%	0.287	S	S	.	.	H	α-helix	trans	-59.2	-40.6	-173.5	-176.9	-178.4	173.6	-164.5	0	114.6	D460 Q601 S612	D460-K605 IonicContact OD1-NZ 3.32Å; D460-K605 IonicContact OD2-NZ 3.49Å; D460-K605 PolarHBondContact OD2-NZ 3.38Å; Q601-K605 WeakPolarHBondContact O-CB 3.22Å; Q601-K605 PolarHBondContact O-N 3.33Å; K605-S612 WeakPolarHBondContact CE-OG 3.32Å; K605-S612 PolarHBondContact NZ-OG 3.11Å
606	A	84	Confident	88.9	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.008	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.4	39.7	-176.1	0	0	0	0	0	112.2	G604 G608 K609	G604-A606 PolarHBondContact O-N 2.65Å; A606-G608 PolarHBondContact O-N 3.33Å; A606-K609 HydrophobicContact CB-CB 4.25Å; A606-K609 WeakPolarHBondContact CB-O 3.33Å; A606-K609 WeakPolarHBondContact O-CB 3.36Å; A606-K609 PolarHBondContact O-N 3.12Å
607	S	83.9	Confident	87.1	Confident	110 Å²	110	61.8 Å²	61.8	77%	0.769	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	39.7	177.7	-51.4	0	0	0	0	112.9
608	G	85.3	Confident	85	Confident	3 Å²	3	61.3 Å²	61.3	3%	0.031	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-16.9	-177.4	0	0	0	0	0	115.4	E563 I564 R603 A606	E563-G608 CarbonylContact C-O 3.49Å; E563-G608 WeakPolarHBondContact CA-O 3.16Å; E563-G608 WeakPolarHBondContact CB-O 3.47Å; I564-G608 PolarHBondContact N-O 3.48Å; R603-G608 PolarHBondContact O-N 2.7Å; A606-G608 PolarHBondContact O-N 3.33Å
609	K	86.3	Confident	82.4	Confident	23 Å²	23	61.3 Å²	61.3	10%	0.1	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-68.8	137.3	175.5	-64.9	-58.3	-169.8	-172.7	0	111	R425 E563 A606	R425-K609 HydrophobicContact CB-CG 4.27Å; R425-K609 VanDerWaalsContact O-CE 3.26Å; R425-K609 WeakPolarHBondContact O-CE 3.38Å; E563-K609 HydrophobicContact CB-CD 3.98Å; E563-K609 WeakPolarHBondContact OE2-CD 3.49Å; E563-K609 WeakPolarHBondContact OE2-CE 3.5Å; E563-K609 IonicContact OE2-NZ 2.8Å; E563-K609 PolarHBondContact OE2-NZ 3.49Å; A606-K609 HydrophobicContact CB-CB 4.25Å; A606-K609 WeakPolarHBondContact CB-O 3.33Å; A606-K609 WeakPolarHBondContact O-CB 3.36Å; A606-K609 PolarHBondContact O-N 3.12Å
610	L	89.8	Confident	79.7	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	40%	0.397	C	S	.	.	S	Bend	trans	-92.8	-6.2	175.9	-69	168.7	0	0	0	112.9	M459 D460 L462 A561 A562 I564	M459-L610 HydrophobicContact CE-CB 3.79Å; D460-L610 HydrophobicContact CB-CD2 4.41Å; D460-L610 PolarHBondContact N-O 2.9Å; L462-L610 HydrophobicContact CD1-CD1 3.59Å; L462-L610 HydrophobicContact CD1-CD2 4.07Å; L462-L610 HydrophobicContact CD1-CG 4.48Å; A561-L610 HydrophobicContact CB-CD1 3.72Å; A561-L610 VanDerWaalsContact O-CD1 3.32Å; A561-L610 WeakPolarHBondContact O-CD1 3.43Å; A562-L610 PolarHBondContact O-N 2.62Å; I564-L610 HydrophobicContact CD1-CD2 4.08Å; I564-L610 HydrophobicContact CG1-CD1 4.43Å; I564-L610 HydrophobicContact CG1-CD2 4.28Å; I564-L610 HydrophobicContact CG1-CG 4.42Å
611	A	87.1	Confident	77.1	Confident	12 Å²	12	71.7 Å²	71.7	10%	0.099	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-94.5	105.6	168	0	0	0	0	0	109.2	P452 M459	P452-A611 HydrophobicContact CB-CB 3.39Å; P452-A611 HydrophobicContact CG-CB 3.84Å; M459-A611 HydrophobicContact CE-CB 4.28Å; M459-A611 HydrophobicContact SD-CB 3.71Å
612	S	84.1	Confident	74.2	Confident	31 Å²	31	67.3 Å²	67.3	22%	0.217	41%	0.41	C	S	.	.			trans	-132.3	-0.5	179.8	63.9	0	0	0	0	113.9	D460 K605	D460-S612 PolarHBondContact OD2-OG 3.42Å; D460-S612 VanDerWaalsContact OD2-OG 3.08Å; K605-S612 WeakPolarHBondContact CE-OG 3.32Å; K605-S612 PolarHBondContact NZ-OG 3.11Å
613	K	86.3	Confident	71.4	Confident	94 Å²	94	71.8 Å²	71.8	41%	0.409	44%	0.441	S	S	.	.			trans	-105.1	143.5	-178.8	-67.1	166	176.4	149.5	0	109.6	L458 D460	L458-K613 HydrophobicContact CD2-CB 4.4Å; D460-K613 WeakPolarHBondContact OD1-CE 3Å; D460-K613 IonicContact OD1-NZ 2.68Å; D460-K613 PolarHBondContact OD1-NZ 3.47Å
614	H	87.7	Confident	68.6	Low	69 Å²	69	77.4 Å²	77.4	32%	0.319	47%	0.47	S	S	.	.			trans	-80.9	151.2	170.9	-72.2	-178.7	0	0	0	111.2	N419 D423 F616	N419-H614 VanDerWaalsContact OD1-CA 3.31Å; N419-H614 WeakPolarHBondContact OD1-CA 3.47Å; D423-H614 VanDerWaalsContact CG-NE2 3.26Å; D423-H614 IonicContact OD1-CD2 2.63Å; D423-H614 IonicContact OD1-CE1 2.67Å; D423-H614 IonicContact OD1-NE2 2.68Å; D423-H614 PolarHBondContact OD1-NE2 3.14Å; D423-H614 IonicContact OD2-CE1 2.78Å; D423-H614 PolarHBondContact OD2-CE1 3.45Å; D423-H614 IonicContact OD2-NE2 2.69Å; D423-H614 PolarHBondContact OD2-NE2 2.87Å; H614-F616 HydrophobicContact CB-CE1 4.43Å; H614-F616 HydrophobicContact CB-CE2 4.16Å; H614-F616 HydrophobicContact CB-CZ 3.97Å
615	L	84.8	Confident	65.9	Low	33 Å²	33	83.3 Å²	83.3	17%	0.173	48%	0.482	C	S	.	.			trans	-87.4	128.4	167.4	-177.4	60.5	0	0	0	108.9	I256 I415 L418 N419 V455 L458	I256-L615 HydrophobicContact CD1-CD2 3.63Å; I415-L615 HydrophobicContact CD1-CD2 4.32Å; I415-L615 HydrophobicContact CG1-CD2 3.95Å; I415-L615 HydrophobicContact CG2-CB 4.13Å; I415-L615 HydrophobicContact CG2-CD2 4.34Å; I415-L615 HydrophobicContact CG2-CG 4.2Å; I415-L615 VanDerWaalsContact CG2-O 3.31Å; I415-L615 WeakPolarHBondContact CG2-O 3.26Å; L418-L615 HydrophobicContact CD2-CD2 4.46Å; N419-L615 PolarHBondContact ND2-O 2.98Å; N419-L615 PolarHBondContact OD1-N 3.33Å; V455-L615 HydrophobicContact CG1-CD1 3.94Å; V455-L615 HydrophobicContact CG1-CD2 4.22Å; L458-L615 HydrophobicContact CD1-CB 4.12Å; L458-L615 HydrophobicContact CD2-CB 4.09Å; L458-L615 HydrophobicContact CD2-CD1 4.45Å
616	F	80.8	Confident	63.2	Low	155 Å²	155	87.7 Å²	87.7	68%	0.68	50%	0.502	S	S	*	.			trans	-110.2	142.2	177.4	-62.1	-77.9	0	0	0	111.1	H614 G618	H614-F616 HydrophobicContact CB-CE1 4.43Å; H614-F616 HydrophobicContact CB-CE2 4.16Å; H614-F616 HydrophobicContact CB-CZ 3.97Å; F616-G618 PolarHBondContact O-N 3.46Å
617	V	58.4	Low	60.7	Low	85 Å²	85	97.4 Å²	97.4	52%	0.515	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	115.3	174.8	-177.6	0	0	0	0	108.8	I415	I415-V617 HydrophobicContact CD1-CG2 3.67Å
618	G	52.7	Low	58.2	Low	76 Å²	76	103.7 Å²	103.7	78%	0.784	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.4	12.5	171	0	0	0	0	0	117.4	F616 D620	F616-G618 PolarHBondContact O-N 3.46Å; G618-D620 PolarHBondContact O-N 2.9Å; G618-D620 VanDerWaalsContact O-N 3.1Å
619	G	39.2	Very low	55.6	Low	66 Å²	66	113.9 Å²	113.9	68%	0.68	59%	0.594	S	S	*	*			trans	-83.5	66.2	179.8	0	0	0	0	0	115
620	D	38.6	Very low	53	Low	160 Å²	160	117.3 Å²	117.3	86%	0.856	63%	0.626	S	S	*	*			trans	-87.9	11	161.4	-150.3	19.3	0	0	0	112	G618	G618-D620 PolarHBondContact O-N 2.9Å; G618-D620 VanDerWaalsContact O-N 3.1Å
621	D	38.8	Very low	50.3	Low	169 Å²	169	121.4 Å²	121.4	90%	0.904	66%	0.66	S	S	*	*			trans	-111.7	51.6	178.7	-87.8	-28	0	0	0	112.9
622	G	31.3	Very low	47.6	Very low	52 Å²	52	127.2 Å²	127.2	54%	0.536	70%	0.697	S	S	.	*	S	Bend	trans	-87.1	142.1	157.1	0	0	0	0	0	110	Q624	G622-Q624 PolarHBondContact O-N 2.94Å; G622-Q624 VanDerWaalsContact O-N 3.07Å
623	P	32.8	Very low	45.3	Very low	129 Å²	129	135 Å²	135	84%	0.838	73%	0.727	S	S	*	*			trans	-57.9	117.2	-163.5	23.1	-32.6	0	0	0	111.5	E625	P623-E625 PolarHBondContact O-N 3.31Å
624	Q	32.1	Very low	42.7	Very low	188 Å²	188	139.9 Å²	139.9	88%	0.879	75%	0.754	S	S	*	*			trans	-54.7	108.4	164.1	-74.8	-172.5	-7.3	0	0	107.8	G622 K626	G622-Q624 PolarHBondContact O-N 2.94Å; G622-Q624 VanDerWaalsContact O-N 3.07Å; Q624-K626 PolarHBondContact O-N 2.9Å
625	E	31.6	Very low	39.9	Very low	182 Å²	182	146 Å²	146	85%	0.85	78%	0.779	S	S	*	*			trans	-50.1	116.4	168.3	-77.7	-172.5	153.3	0	0	108	P623 K627	P623-E625 PolarHBondContact O-N 3.31Å; E625-K627 VanDerWaalsContact C-N 3.33Å; E625-K627 PolarHBondContact O-N 2.91Å
626	K	31.4	Very low	37.4	Very low	203 Å²	203	153.9 Å²	153.9	88%	0.883	81%	0.812	S	S	*	*			trans	-54.7	98.9	172.9	-78.2	179.2	177.2	173.6	0	108.1	Q624 R628	Q624-K626 PolarHBondContact O-N 2.9Å; K626-R628 PolarHBondContact O-N 2.98Å
627	K	31.1	Very low	34.9	Very low	204 Å²	204	152.8 Å²	152.8	89%	0.887	82%	0.818	S	S	*	*			trans	-55.1	105.6	166.7	-82.3	-178.5	176.4	171.2	0	108.1	E625 K629	E625-K627 VanDerWaalsContact C-N 3.33Å; E625-K627 PolarHBondContact O-N 2.91Å; K627-K629 PolarHBondContact O-N 3.31Å
628	R	32.4	Very low	33.7	Very low	242 Å²	242	156.5 Å²	156.5	91%	0.913	83%	0.833	S	S	*	*			trans	-52.7	127.1	164.7	-86.6	178	164.3	174.4	-4.3	108	K626 A630	K626-R628 PolarHBondContact O-N 2.98Å; R628-A630 PolarHBondContact O-N 3.38Å
629	K	31.2	Very low	32.8	Very low	217 Å²	217	155.1 Å²	155.1	94%	0.943	82%	0.819	S	S	*	*			trans	-58.6	108.6	174.8	-78.5	179.3	174.6	177.1	0	109.3	K627	K627-K629 PolarHBondContact O-N 3.31Å
630	A	31.6	Very low	32.7	Very low	95 Å²	95	158.1 Å²	158.1	79%	0.785	82%	0.818	S	S	*	*			trans	-87.6	141.2	162	0	0	0	0	0	109.5	R628	R628-A630 PolarHBondContact O-N 3.38Å
631	A	32.1	Very low	33	Very low	87 Å²	87	155.6 Å²	155.6	72%	0.719	80%	0.803	S	S	*	*			trans	-52.1	153.1	-177.9	0	0	0	0	0	113.6	K633	A631-K633 PolarHBondContact O-N 3.28Å
632	P	31.6	Very low	33.3	Very low	134 Å²	134	155.6 Å²	155.6	87%	0.87	80%	0.798	S	S	*	*			trans	-72.5	101.7	-167.6	29.7	-32.7	0	0	0	111
633	K	34.1	Very low	34.2	Very low	196 Å²	196	157.5 Å²	157.5	85%	0.852	79%	0.793	S	S	*	*			trans	-81.6	127.3	155.6	-82	-177	175.2	177.8	0	108	A631 K635	A631-K633 PolarHBondContact O-N 3.28Å; K633-K635 PolarHBondContact O-N 3.47Å
634	M	32.4	Very low	34.8	Very low	195 Å²	195	156.3 Å²	156.3	96%	0.961	78%	0.779	S	S	*	*			trans	-46.8	107.1	175.3	-76.3	171.8	81.7	0	0	110.1	K636	M634-K636 PolarHBondContact O-N 2.9Å
635	K	29.3	Very low	35.8	Very low	198 Å²	198	153.9 Å²	153.9	86%	0.861	77%	0.766	S	S	*	*			trans	-69.3	112.1	168.5	-81.4	-178.9	175.6	178.4	0	107.3	K633 V637	K633-K635 PolarHBondContact O-N 3.47Å; K635-V637 PolarHBondContact O-N 3.5Å
636	K	32.4	Very low	36.9	Very low	199 Å²	199	148.9 Å²	148.9	87%	0.865	76%	0.755	S	S	*	*			trans	-61.1	114.4	147.3	-89.8	-175.8	175.3	179.8	0	106	M634 I638	M634-K636 PolarHBondContact O-N 2.9Å; K636-I638 PolarHBondContact O-N 2.88Å
637	V	27.5	Very low	38.2	Very low	132 Å²	132	140.6 Å²	140.6	80%	0.8	72%	0.722	S	S	*	*			trans	-59.8	103.8	170.7	178	0	0	0	0	106.5	K635 G639	K635-V637 PolarHBondContact O-N 3.5Å; V637-G639 PolarHBondContact O-N 3.04Å
638	I	33.8	Very low	39.4	Very low	163 Å²	163	136.8 Å²	136.8	84%	0.836	71%	0.711	S	S	*	*			trans	-74.1	92.4	161.5	-60.2	173.1	0	0	0	104	K636	K636-I638 PolarHBondContact O-N 2.88Å
639	G	34.3	Very low	40.9	Very low	47 Å²	47	128.8 Å²	128.8	49%	0.485	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-59.6	134.9	171.1	0	0	0	0	0	109.1	V637 I641	V637-G639 PolarHBondContact O-N 3.04Å; G639-I641 PolarHBondContact O-N 2.9Å
640	I	37.3	Very low	42	Very low	128 Å²	128	123.7 Å²	123.7	66%	0.656	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-54.1	127.8	163.7	-65.6	168.9	0	0	0	106.6	E642 L644	I640-E642 PolarHBondContact O-N 3.36Å; I640-L644 HydrophobicContact CG2-CB 4.45Å
641	I	44.6	Very low	43.1	Very low	107 Å²	107	126.2 Å²	126.2	55%	0.549	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-61.8	127	-178.6	-40.6	172.9	0	0	0	108	G639 H643 L644	G639-I641 PolarHBondContact O-N 2.9Å; I641-H643 WeakPolarHBondContact CG2-CE1 3.47Å; I641-H643 WeakPolarHBondContact CG2-ND1 3.35Å; I641-H643 PolarHBondContact O-N 3.14Å; I641-L644 PolarHBondContact O-N 3.39Å
642	E	45	Very low	44.6	Very low	170 Å²	170	124.1 Å²	124.1	79%	0.794	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-52.8	-26.9	-167	-157	167.6	-156.6	0	0	114.3	I640 L644	I640-E642 PolarHBondContact O-N 3.36Å; E642-L644 VanDerWaalsContact C-N 3.32Å; E642-L644 PolarHBondContact O-N 3.41Å
643	H	49.5	Very low	46.1	Very low	92 Å²	92	124.3 Å²	124.3	43%	0.426	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-77.8	-5.3	179.9	65.7	-98.7	0	0	0	115.8	I641 K675	I641-H643 WeakPolarHBondContact CG2-CE1 3.47Å; I641-H643 WeakPolarHBondContact CG2-ND1 3.35Å; I641-H643 PolarHBondContact O-N 3.14Å; H643-K675 PolarHBondContact O-NZ 3.42Å; H643-K675 VanDerWaalsContact O-NZ 3.13Å
644	L	46.3	Very low	47.9	Very low	104 Å²	104	120.1 Å²	120.1	55%	0.545	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-104	-0.5	176.8	-72.4	166.4	0	0	0	113.4	I640 I641 E642	I640-L644 HydrophobicContact CG2-CB 4.45Å; I641-L644 PolarHBondContact O-N 3.39Å; E642-L644 VanDerWaalsContact C-N 3.32Å; E642-L644 PolarHBondContact O-N 3.41Å
645	K	52.8	Low	49.9	Very low	137 Å²	137	116.6 Å²	116.6	60%	0.596	61%	0.611	S	S	*	*	S	Bend	trans	-77.8	132.8	171.1	-93.8	178.6	171.1	179	0	109.7
646	A	54.9	Low	52.1	Low	76 Å²	76	109.2 Å²	109.2	63%	0.628	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-62.7	142.1	165.7	0	0	0	0	0	109.4	N648	A646-N648 PolarHBondContact O-N 3.39Å
647	P	57.7	Low	54.4	Low	29 Å²	29	103.6 Å²	103.6	19%	0.188	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-61.2	136.4	177.5	23.7	-32	0	0	0	110.2	L649 E679	P647-L649 HydrophobicContact CB-CD2 4.18Å; P647-L649 HydrophobicContact CB-CG 4.12Å; P647-L649 HydrophobicContact CG-CD1 4.23Å; P647-L649 HydrophobicContact CG-CD2 4.48Å; P647-L649 HydrophobicContact CG-CG 4.18Å; P647-L649 PolarHBondContact O-N 3.29Å; P647-L649 VanDerWaalsContact O-N 3.1Å; P647-E679 HydrophobicContact CB-CB 4.34Å; P647-E679 HydrophobicContact CG-CB 4.39Å
648	N	57.3	Low	57.1	Low	125 Å²	125	99.1 Å²	99.1	67%	0.668	54%	0.535	S	S	*	.			trans	-83	85.6	176.4	-166.5	-4.1	0	0	0	108.8	A646 T650	A646-N648 PolarHBondContact O-N 3.39Å; N648-T650 PolarHBondContact O-N 3.47Å; N648-T650 PolarHBondContact OD1-OG1 3.27Å
649	L	62.9	Low	59.6	Low	73 Å²	73	91.4 Å²	91.4	38%	0.382	50%	0.496	S	S	.	.			trans	-83.2	11.9	-174.5	-63.5	170.7	0	0	0	113.7	P647 N651 V652 A683	P647-L649 HydrophobicContact CB-CD2 4.18Å; P647-L649 HydrophobicContact CB-CG 4.12Å; P647-L649 HydrophobicContact CG-CD1 4.23Å; P647-L649 HydrophobicContact CG-CD2 4.48Å; P647-L649 HydrophobicContact CG-CG 4.18Å; P647-L649 PolarHBondContact O-N 3.29Å; P647-L649 VanDerWaalsContact O-N 3.1Å; L649-N651 PolarHBondContact O-N 2.84Å; L649-V652 HydrophobicContact CD2-CG2 3.99Å; L649-V652 PolarHBondContact O-N 2.98Å; L649-A683 HydrophobicContact CD2-CB 3.96Å
650	T	55	Low	62	Low	111 Å²	111	93.4 Å²	93.4	68%	0.681	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-15.7	-173.2	40.5	0	0	0	0	114.8	N648	N648-T650 PolarHBondContact O-N 3.47Å; N648-T650 PolarHBondContact OD1-OG1 3.27Å
651	N	54.6	Low	64	Low	148 Å²	148	93.6 Å²	93.6	79%	0.791	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	15.1	-177.5	-70.5	-16.8	0	0	0	114.6	L649	L649-N651 PolarHBondContact O-N 2.84Å
652	V	64	Low	66	Low	43 Å²	43	89.8 Å²	89.8	26%	0.261	48%	0.476	S	S	.	.			trans	-92.9	112.4	-177	-176.7	0	0	0	0	110.6	L649 A683 E684	L649-V652 HydrophobicContact CD2-CG2 3.99Å; L649-V652 PolarHBondContact O-N 2.98Å; V652-A683 HydrophobicContact CG1-CB 4.15Å; V652-E684 HydrophobicContact CG1-CB 4.44Å; V652-E684 HydrophobicContact CG1-CG 3.56Å
653	N	62	Low	68.2	Low	138 Å²	138	84 Å²	84	74%	0.738	45%	0.449	S	S	*	.			trans	-88.5	132	174.8	-69.9	-34.1	0	0	0	110.3	I655	N653-I655 WeakPolarHBondContact O-CG1 3.5Å; N653-I655 PolarHBondContact O-N 2.81Å
654	K	72.3	Confident	70.3	Confident	107 Å²	107	79.6 Å²	79.6	47%	0.465	43%	0.429	S	S	.	.			trans	-64.9	119.9	176.8	-163.2	-175.7	-167.5	-166.5	0	109.9	S656 N657 E660	K654-S656 WeakPolarHBondContact CG-O 3.35Å; K654-N657 WeakPolarHBondContact CE-OD1 3.33Å; K654-N657 VanDerWaalsContact NZ-CG 3.3Å; K654-N657 PolarHBondContact NZ-OD1 3.48Å; K654-E660 IonicContact NZ-OE1 3.38Å; K654-E660 PolarHBondContact NZ-OE1 3.39Å
655	I	74.9	Confident	72.4	Confident	122 Å²	122	74.6 Å²	74.6	63%	0.626	40%	0.403	S	S	*	.			trans	-99.4	-27.9	-177.9	-50.7	179.9	0	0	0	110.8	N653 E684	N653-I655 WeakPolarHBondContact O-CG1 3.5Å; N653-I655 PolarHBondContact O-N 2.81Å; I655-E684 HydrophobicContact CD1-CB 4.09Å; I655-E684 HydrophobicContact CD1-CG 4.02Å; I655-E684 HydrophobicContact CG1-CB 4.2Å; I655-E684 HydrophobicContact CG1-CG 4.4Å; I655-E684 PolarHBondContact N-O 3.47Å
656	S	74.4	Confident	74.2	Confident	42 Å²	42	68.2 Å²	68.2	29%	0.294	38%	0.375	S	S	.	.			trans	-156.6	170.3	-178.5	-171.9	0	0	0	0	111.4	K654 I658 E684 L685 G686	K654-S656 WeakPolarHBondContact CG-O 3.35Å; S656-I658 WeakPolarHBondContact OG-CD1 3.29Å; S656-I658 WeakPolarHBondContact OG-CG1 3.42Å; S656-E684 PolarHBondContact N-O 2.97Å; S656-L685 CarbonylContact O-C 3.44Å; S656-L685 WeakPolarHBondContact O-CA 3.47Å; S656-L685 VanDerWaalsContact O-O 3.11Å; S656-G686 PolarHBondContact O-N 3.2Å
657	N	81.9	Confident	75.7	Confident	82 Å²	82	65.3 Å²	65.3	44%	0.439	35%	0.349	S	S	.	.			trans	-115.1	22.5	-179.3	-68.2	11	0	0	0	113	K654 F659 E660 L685	K654-N657 WeakPolarHBondContact CE-OD1 3.33Å; K654-N657 VanDerWaalsContact NZ-CG 3.3Å; K654-N657 PolarHBondContact NZ-OD1 3.48Å; N657-F659 PolarHBondContact O-N 3.44Å; N657-E660 HydrophobicContact CB-CB 4.18Å; N657-E660 WeakPolarHBondContact CB-OE2 3.47Å; N657-E660 PolarHBondContact ND2-OE1 3.14Å; N657-E660 PolarHBondContact ND2-OE2 3.17Å; N657-E660 WeakPolarHBondContact O-CB 3.25Å; N657-E660 PolarHBondContact O-N 2.71Å; N657-L685 CarbonylContact C-O 3.56Å
658	I	83.8	Confident	77	Confident	38 Å²	38	64.6 Å²	64.6	20%	0.195	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.4	-175.4	-67	156.3	0	0	0	112.5	S656 L685 K733 F735	S656-I658 WeakPolarHBondContact OG-CD1 3.29Å; S656-I658 WeakPolarHBondContact OG-CG1 3.42Å; I658-L685 HydrophobicContact CD1-CD2 4.25Å; I658-L685 PolarHBondContact N-O 2.98Å; I658-L685 VanDerWaalsContact N-O 3.16Å; I658-K733 HydrophobicContact CD1-CB 4.22Å; I658-K733 WeakPolarHBondContact CD1-O 3.44Å; I658-F735 HydrophobicContact CG2-CB 4.18Å
659	F	86.8	Confident	78.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	21.8	-179.2	-65.7	-43.5	0	0	0	113.3	N657 D661 V662 F664 L685 G686 G687 W725 L726 C729 F730 F735	N657-F659 PolarHBondContact O-N 3.44Å; F659-D661 PolarHBondContact O-N 3.49Å; F659-V662 WeakPolarHBondContact O-CB 3.49Å; F659-V662 PolarHBondContact O-N 2.96Å; F659-F664 HydrophobicContact CB-CE2 3.92Å; F659-F664 HydrophobicContact CB-CZ 4.44Å; F659-F664 HydrophobicContact CD1-CE2 4.06Å; F659-F664 AromaticContact CD1-CZ 3.69Å; F659-F664 HydrophobicContact CD1-CZ 3.69Å; F659-F664 HydrophobicContact CD2-CE2 4.44Å; F659-F664 HydrophobicContact CE1-CZ 4.03Å; F659-F664 AromaticContact CG-CE2 3.9Å; F659-F664 HydrophobicContact CG-CE2 3.9Å; F659-F664 AromaticContact CG-CZ 4Å; F659-F664 HydrophobicContact CG-CZ 4Å; F659-L685 HydrophobicContact CD2-CB 3.73Å; F659-L685 HydrophobicContact CD2-CD1 4.17Å; F659-L685 HydrophobicContact CE2-CB 4.29Å; F659-L685 HydrophobicContact CE2-CD1 3.87Å; F659-L685 PolarHBondContact N-O 3.12Å; F659-G686 CarbonylContact O-C 3.01Å; F659-G687 VanDerWaalsContact O-CA 3.28Å; F659-G687 WeakPolarHBondContact O-CA 3.35Å; F659-W725 HydrophobicContact CE1-CH2 4.23Å; F659-L726 HydrophobicContact CE2-CD2 4.11Å; F659-L726 HydrophobicContact CZ-CD2 3.9Å; F659-C729 HydrophobicContact CE1-CB 4.5Å; F659-C729 HydrophobicContact CZ-CB 3.73Å; F659-F730 HydrophobicContact CE2-CD1 4.35Å; F659-F730 AromaticContact CE2-CE1 3.94Å; F659-F730 HydrophobicContact CE2-CE1 3.94Å; F659-F735 AromaticContact CD1-CD2 3.7Å; F659-F735 HydrophobicContact CD1-CD2 3.7Å; F659-F735 AromaticContact CD1-CE2 3.82Å; F659-F735 HydrophobicContact CD1-CE2 3.82Å; F659-F735 AromaticContact CE1-CD2 3.57Å; F659-F735 HydrophobicContact CE1-CD2 3.57Å; F659-F735 AromaticContact CE1-CE2 3.76Å; F659-F735 HydrophobicContact CE1-CE2 3.76Å
660	E	83.8	Confident	79.1	Confident	90 Å²	90	58.1 Å²	58.1	42%	0.421	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	132.3	176.9	-172.9	150.1	-113.1	0	0	111.1	K654 N657 V662	K654-E660 IonicContact NZ-OE1 3.38Å; K654-E660 PolarHBondContact NZ-OE1 3.39Å; N657-E660 HydrophobicContact CB-CB 4.18Å; N657-E660 WeakPolarHBondContact CB-OE2 3.47Å; N657-E660 PolarHBondContact ND2-OE1 3.14Å; N657-E660 PolarHBondContact ND2-OE2 3.17Å; N657-E660 WeakPolarHBondContact O-CB 3.25Å; N657-E660 PolarHBondContact O-N 2.71Å; E660-V662 PolarHBondContact O-N 3.29Å; E660-V662 VanDerWaalsContact O-N 3.15Å
661	D	79.9	Confident	80.1	Confident	132 Å²	132	61.3 Å²	61.3	71%	0.706	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	13.3	-176.5	-55.9	-37	0	0	0	116.3	F659	F659-D661 PolarHBondContact O-N 3.49Å
662	V	87.1	Confident	81.2	Confident	26 Å²	26	58.7 Å²	58.7	16%	0.158	32%	0.322	C	S	.	.			trans	-101.8	123	176.8	-169.9	0	0	0	0	111	F659 E660 F664 Y688 Y698	F659-V662 WeakPolarHBondContact O-CB 3.49Å; F659-V662 PolarHBondContact O-N 2.96Å; E660-V662 PolarHBondContact O-N 3.29Å; E660-V662 VanDerWaalsContact O-N 3.15Å; V662-F664 HydrophobicContact CB-CE2 3.65Å; V662-F664 HydrophobicContact CB-CZ 4Å; V662-F664 HydrophobicContact CG1-CD2 4.19Å; V662-F664 HydrophobicContact CG1-CE1 4.1Å; V662-F664 HydrophobicContact CG1-CE2 3.41Å; V662-F664 VanDerWaalsContact CG1-CE2 3.41Å; V662-F664 HydrophobicContact CG1-CZ 3.36Å; V662-F664 WeakPolarHBondContact O-CD2 3.33Å; V662-Y688 PolarHBondContact O-N 3.24Å; V662-Y698 HydrophobicContact CG1-CD1 3.71Å; V662-Y698 HydrophobicContact CG1-CD2 4.37Å; V662-Y698 HydrophobicContact CG1-CG 3.6Å
663	E	91.4	Very high	82.1	Confident	48 Å²	48	59 Å²	59	22%	0.224	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.7	177.9	-171.9	-174.4	88	0	0	112	Y688 V690 T697 Y698	E663-Y688 CarbonylContact C-O 3.41Å; E663-Y688 WeakPolarHBondContact CA-O 3.46Å; E663-V690 VanDerWaalsContact CD-CG1 3.42Å; E663-V690 HydrophobicContact CG-CB 4.4Å; E663-V690 HydrophobicContact CG-CG1 3.72Å; E663-V690 HydrophobicContact CG-CG2 3.84Å; E663-V690 WeakPolarHBondContact OE2-CG1 3.32Å; E663-T697 VanDerWaalsContact OE1-CA 3.24Å; E663-T697 WeakPolarHBondContact OE1-CA 3.4Å; E663-T697 WeakPolarHBondContact OE1-CB 3.42Å; E663-T697 PolarHBondContact OE1-N 3.01Å; E663-T697 VanDerWaalsContact OE1-N 3.16Å; E663-T697 PolarHBondContact OE1-OG1 3.41Å; E663-Y698 WeakPolarHBondContact O-CB 3.46Å; E663-Y698 PolarHBondContact O-N 3.25Å
664	F	92	Very high	83.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	143.9	179.9	-63.6	-87.4	0	0	0	111.9	F659 V662 I682 Y688 I689 V690 Y698 W725 L726	F659-F664 HydrophobicContact CB-CE2 3.92Å; F659-F664 HydrophobicContact CB-CZ 4.44Å; F659-F664 HydrophobicContact CD1-CE2 4.06Å; F659-F664 AromaticContact CD1-CZ 3.69Å; F659-F664 HydrophobicContact CD1-CZ 3.69Å; F659-F664 HydrophobicContact CD2-CE2 4.44Å; F659-F664 HydrophobicContact CE1-CZ 4.03Å; F659-F664 AromaticContact CG-CE2 3.9Å; F659-F664 HydrophobicContact CG-CE2 3.9Å; F659-F664 AromaticContact CG-CZ 4Å; F659-F664 HydrophobicContact CG-CZ 4Å; V662-F664 HydrophobicContact CB-CE2 3.65Å; V662-F664 HydrophobicContact CB-CZ 4Å; V662-F664 HydrophobicContact CG1-CD2 4.19Å; V662-F664 HydrophobicContact CG1-CE1 4.1Å; V662-F664 HydrophobicContact CG1-CE2 3.41Å; V662-F664 VanDerWaalsContact CG1-CE2 3.41Å; V662-F664 HydrophobicContact CG1-CZ 3.36Å; V662-F664 WeakPolarHBondContact O-CD2 3.33Å; F664-I682 HydrophobicContact CB-CD1 4.23Å; F664-I682 HydrophobicContact CB-CG2 4.39Å; F664-I682 HydrophobicContact CD2-CG2 3.53Å; F664-I682 HydrophobicContact CE2-CG2 4.06Å; F664-I682 HydrophobicContact CG-CD1 4.37Å; F664-I682 HydrophobicContact CG-CG2 4.12Å; F664-Y688 PolarHBondContact N-O 3.41Å; F664-I689 WeakPolarHBondContact O-CA 3.37Å; F664-V690 WeakPolarHBondContact O-CG2 3.37Å; F664-V690 PolarHBondContact O-N 2.89Å; F664-Y698 HydrophobicContact CE1-CD1 4.18Å; F664-W725 AromaticContact CE1-CH2 3.8Å; F664-W725 HydrophobicContact CE1-CH2 3.8Å; F664-W725 AromaticContact CE1-CZ3 3.72Å; F664-W725 HydrophobicContact CE1-CZ3 3.72Å; F664-W725 HydrophobicContact CZ-CH2 4.26Å; F664-L726 HydrophobicContact CE1-CD2 4.38Å
665	C	90.8	Very high	83.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	109.6	169.8	-169.6	0	0	0	0	111.3	M667 V690 P693 T697 C699 V700 I701	C665-M667 WeakPolarHBondContact SG-CE 3.21Å; C665-V690 WeakPolarHBondContact CA-O 3.41Å; C665-V690 HydrophobicContact CB-CG2 3.87Å; C665-V690 PolarHBondContact SG-O 3.47Å; C665-P693 HydrophobicContact CB-CB 4.29Å; C665-T697 HydrophobicContact CB-CG2 3.82Å; C665-C699 PolarHBondContact N-O 2.86Å; C665-V700 HydrophobicContact CB-CG2 4.28Å; C665-V700 CarbonylContact O-C 3.5Å; C665-V700 WeakPolarHBondContact O-CA 3.45Å; C665-I701 PolarHBondContact O-N 3.37Å
666	V	90	Very high	84.3	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	109	-178.9	-170.1	0	0	0	0	110.6	K675 L678 E679 I682 I701	V666-K675 HydrophobicContact CB-CG 4.46Å; V666-K675 HydrophobicContact CG1-CB 4.48Å; V666-K675 HydrophobicContact CG1-CG 3.95Å; V666-K675 WeakPolarHBondContact O-CE 3.48Å; V666-K675 PolarHBondContact O-NZ 3Å; V666-L678 HydrophobicContact CG1-CB 4.38Å; V666-L678 HydrophobicContact CG1-CD1 4.37Å; V666-E679 HydrophobicContact CB-CG 3.91Å; V666-E679 HydrophobicContact CG1-CG 4.46Å; V666-E679 HydrophobicContact CG2-CG 3.9Å; V666-I682 HydrophobicContact CG2-CD1 3.68Å; V666-I701 HydrophobicContact CG1-CB 4.4Å; V666-I701 HydrophobicContact CG1-CG2 4.48Å; V666-I701 HydrophobicContact CG2-CB 4.34Å
667	M	86.4	Confident	84.8	Confident	16 Å²	16	50.1 Å²	50.1	8%	0.079	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-38.8	-177.8	-73.1	-75.9	159.5	0	0	112.7	C665 P693 V700 I701 A702 R708 V709 I712	C665-M667 WeakPolarHBondContact SG-CE 3.21Å; M667-P693 HydrophobicContact CE-CG 4.4Å; M667-V700 HydrophobicContact CB-CG1 4.32Å; M667-V700 HydrophobicContact CG-CG1 3.45Å; M667-V700 VanDerWaalsContact CG-CG1 3.45Å; M667-I701 PolarHBondContact N-O 2.98Å; M667-A702 HydrophobicContact CB-CB 4.4Å; M667-R708 HydrophobicContact SD-CG 4.07Å; M667-V709 HydrophobicContact CB-CG2 3.78Å; M667-V709 HydrophobicContact CG-CG2 4.23Å; M667-I712 HydrophobicContact CE-CD1 3.49Å; M667-I712 VanDerWaalsContact CE-CD1 3.49Å; M667-I712 HydrophobicContact CG-CD1 4.1Å; M667-I712 HydrophobicContact SD-CD1 3.89Å
668	S	86.6	Confident	85	Confident	14 Å²	14	46.2 Å²	46.2	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	143.9	175.3	52.8	0	0	0	0	111.3	G703 S704	S668-G703 PolarHBondContact O-N 3.15Å; S668-G703 PolarHBondContact OG-N 3.04Å; S668-S704 PolarHBondContact OG-N 3.24Å; S668-S704 VanDerWaalsContact OG-N 3.11Å; S668-S704 PolarHBondContact OG-O 2.91Å; S668-S704 PolarHBondContact OG-OG 2.95Å
669	G	82.8	Confident	85.2	Confident	17 Å²	17	44.6 Å²	44.6	18%	0.175	25%	0.252	C	S	.	.			trans	-86.3	-171.2	170.3	0	0	0	0	0	112.8	Q673	G669-Q673 CarbonylContact C-O 3.49Å; G669-Q673 VanDerWaalsContact CA-O 3.26Å; G669-Q673 WeakPolarHBondContact CA-O 3.4Å
670	T	81.6	Confident	85.2	Confident	45 Å²	45	46.8 Å²	46.8	28%	0.276	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-100.6	166.3	169.4	57.6	0	0	0	0	110.2	S672 Q673 P723	T670-S672 PolarHBondContact O-N 3.11Å; T670-S672 VanDerWaalsContact O-N 3.12Å; T670-S672 PolarHBondContact OG1-OG 3.35Å; T670-S672 VanDerWaalsContact OG1-OG 3.06Å; T670-Q673 PolarHBondContact N-O 3.09Å; T670-Q673 CarbonylContact O-C 3.39Å; T670-Q673 PolarHBondContact O-N 2.84Å; T670-Q673 VanDerWaalsContact O-O 3.11Å; T670-Q673 PolarHBondContact OG1-N 3.48Å; T670-P723 HydrophobicContact CG2-CB 4.06Å; T670-P723 HydrophobicContact CG2-CG 3.99Å
671	D	76.1	Confident	85.3	Confident	178 Å²	178	46.6 Å²	46.6	95%	0.952	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.3	178	-60.1	-29.6	0	0	0	112.6
672	S	77.9	Confident	85.6	Confident	92 Å²	92	40.3 Å²	40.3	64%	0.643	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-18.9	176.3	54.7	0	0	0	0	115	T670	T670-S672 PolarHBondContact O-N 3.11Å; T670-S672 VanDerWaalsContact O-N 3.12Å; T670-S672 PolarHBondContact OG1-OG 3.35Å; T670-S672 VanDerWaalsContact OG1-OG 3.06Å
673	Q	81.8	Confident	85.5	Confident	49 Å²	49	40 Å²	40	23%	0.229	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-141.8	84.4	-175.5	-67.5	-74.6	-15.9	0	0	108.3	G669 T670 L678 L727	G669-Q673 CarbonylContact C-O 3.49Å; G669-Q673 VanDerWaalsContact CA-O 3.26Å; G669-Q673 WeakPolarHBondContact CA-O 3.4Å; T670-Q673 PolarHBondContact N-O 3.09Å; T670-Q673 CarbonylContact O-C 3.39Å; T670-Q673 PolarHBondContact O-N 2.84Å; T670-Q673 VanDerWaalsContact O-O 3.11Å; T670-Q673 PolarHBondContact OG1-N 3.48Å; Q673-L678 HydrophobicContact CB-CD2 4.1Å; Q673-L678 HydrophobicContact CB-CG 4.3Å; Q673-L727 HydrophobicContact CG-CD1 4.22Å; Q673-L727 HydrophobicContact CG-CD2 3.83Å
674	P	85.9	Confident	85.2	Confident	59 Å²	59	40.7 Å²	40.7	38%	0.383	23%	0.23	S	C	.	.			trans	-53.6	154.5	177.3	-27.3	34.8	0	0	0	112.9	P676 D677 L678	P674-P676 VanDerWaalsContact C-CD 3.47Å; P674-P676 VanDerWaalsContact C-N 3.35Å; P674-D677 WeakPolarHBondContact CD-OD2 3.26Å; P674-D677 PolarHBondContact O-N 3.35Å; P674-D677 VanDerWaalsContact O-N 3.09Å; P674-L678 PolarHBondContact O-N 2.89Å
675	K	85.1	Confident	84.8	Confident	25 Å²	25	41.8 Å²	41.8	11%	0.109	24%	0.235	C	C	.	.	H	α-helix	trans	-49	-47.5	179.2	168	178.9	171.1	-179.8	0	113.1	H643 V666 D677 L678 E679	H643-K675 PolarHBondContact O-NZ 3.42Å; H643-K675 VanDerWaalsContact O-NZ 3.13Å; V666-K675 HydrophobicContact CB-CG 4.46Å; V666-K675 HydrophobicContact CG1-CB 4.48Å; V666-K675 HydrophobicContact CG1-CG 3.95Å; V666-K675 WeakPolarHBondContact O-CE 3.48Å; V666-K675 PolarHBondContact O-NZ 3Å; K675-D677 VanDerWaalsContact C-N 3.29Å; K675-D677 PolarHBondContact O-N 3.24Å; K675-L678 PolarHBondContact O-N 3.28Å; K675-E679 VanDerWaalsContact CE-CD 3.5Å; K675-E679 WeakPolarHBondContact CE-OE1 3.47Å; K675-E679 HydrophobicContact CG-CG 4.35Å; K675-E679 IonicContact NZ-OE1 3.81Å; K675-E679 WeakPolarHBondContact O-CG 3.5Å; K675-E679 PolarHBondContact O-N 3.04Å
676	P	84.4	Confident	84.4	Confident	65 Å²	65	42.3 Å²	42.3	42%	0.422	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-35	-179.1	-24.4	35.4	0	0	0	113.7	P674 E679 N680	P674-P676 VanDerWaalsContact C-CD 3.47Å; P674-P676 VanDerWaalsContact C-N 3.35Å; P676-E679 PolarHBondContact O-N 2.78Å; P676-N680 WeakPolarHBondContact O-CB 3.3Å; P676-N680 VanDerWaalsContact O-CG 3.23Å; P676-N680 PolarHBondContact O-N 2.89Å; P676-N680 PolarHBondContact O-ND2 2.81Å
677	D	85.3	Confident	84.2	Confident	74 Å²	74	42.6 Å²	42.6	40%	0.396	24%	0.244	S	C	.	.	H	α-helix	trans	-71.1	-38.3	-178.6	-62.9	-13.1	0	0	0	111.1	P674 K675 R681	P674-D677 WeakPolarHBondContact CD-OD2 3.26Å; P674-D677 PolarHBondContact O-N 3.35Å; P674-D677 VanDerWaalsContact O-N 3.09Å; K675-D677 VanDerWaalsContact C-N 3.29Å; K675-D677 PolarHBondContact O-N 3.24Å; D677-R681 WeakPolarHBondContact O-CB 3.18Å; D677-R681 VanDerWaalsContact O-CG 3.3Å; D677-R681 WeakPolarHBondContact O-CG 3.4Å; D677-R681 PolarHBondContact O-N 2.89Å
678	L	86.3	Confident	84.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-44.2	172.5	-66.1	174.7	0	0	0	111.3	V666 Q673 P674 K675 R681 I682 P723 L727 F730	V666-L678 HydrophobicContact CG1-CB 4.38Å; V666-L678 HydrophobicContact CG1-CD1 4.37Å; Q673-L678 HydrophobicContact CB-CD2 4.1Å; Q673-L678 HydrophobicContact CB-CG 4.3Å; P674-L678 PolarHBondContact O-N 2.89Å; K675-L678 PolarHBondContact O-N 3.28Å; L678-R681 PolarHBondContact O-N 2.61Å; L678-I682 WeakPolarHBondContact O-CD1 3.47Å; L678-I682 WeakPolarHBondContact O-CG1 2.95Å; L678-I682 PolarHBondContact O-N 3.22Å; L678-P723 HydrophobicContact CD1-CB 4.04Å; L678-P723 HydrophobicContact CD1-CG 4.35Å; L678-L727 HydrophobicContact CD2-CD2 4.13Å; L678-F730 HydrophobicContact CD2-CE2 4.06Å
679	E	88.6	Confident	84.3	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.019	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-44.9	177.6	-68.5	177.3	144.5	0	0	111.3	P647 V666 K675 P676 R681 I682 A683 I689 Q691	P647-E679 HydrophobicContact CB-CB 4.34Å; P647-E679 HydrophobicContact CG-CB 4.39Å; V666-E679 HydrophobicContact CB-CG 3.91Å; V666-E679 HydrophobicContact CG1-CG 4.46Å; V666-E679 HydrophobicContact CG2-CG 3.9Å; K675-E679 VanDerWaalsContact CE-CD 3.5Å; K675-E679 WeakPolarHBondContact CE-OE1 3.47Å; K675-E679 HydrophobicContact CG-CG 4.35Å; K675-E679 IonicContact NZ-OE1 3.81Å; K675-E679 WeakPolarHBondContact O-CG 3.5Å; K675-E679 PolarHBondContact O-N 3.04Å; P676-E679 PolarHBondContact O-N 2.78Å; E679-R681 PolarHBondContact O-N 2.68Å; E679-I682 PolarHBondContact O-N 3.28Å; E679-A683 PolarHBondContact O-N 2.88Å; E679-A683 VanDerWaalsContact O-N 3.1Å; E679-I689 HydrophobicContact CB-CD1 4.47Å; E679-I689 HydrophobicContact CB-CG1 4.35Å; E679-I689 HydrophobicContact CB-CG2 4.34Å; E679-I689 HydrophobicContact CG-CG2 3.83Å; E679-I689 WeakPolarHBondContact O-CD1 3.25Å; E679-Q691 PolarHBondContact OE1-NE2 2.94Å
680	N	86.1	Confident	84.5	Confident	47 Å²	47	50.3 Å²	50.3	25%	0.251	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-45.1	177.6	-71.2	-21.8	0	0	0	112.1	P676 I682 A683 E684	P676-N680 WeakPolarHBondContact O-CB 3.3Å; P676-N680 VanDerWaalsContact O-CG 3.23Å; P676-N680 PolarHBondContact O-N 2.89Å; P676-N680 PolarHBondContact O-ND2 2.81Å; N680-I682 PolarHBondContact O-N 3.46Å; N680-A683 WeakPolarHBondContact O-CB 3.28Å; N680-A683 PolarHBondContact O-N 3.28Å; N680-E684 WeakPolarHBondContact O-CG 3.13Å; N680-E684 PolarHBondContact O-N 3.32Å
681	R	84.7	Confident	84.5	Confident	85 Å²	85	50.5 Å²	50.5	32%	0.321	27%	0.27	S	S	.	.	H	α-helix	trans	-70.2	-30.3	-179.4	-68.4	-176.4	78.6	-172.7	7.2	113.5	D677 L678 E679 L685 F730	D677-R681 WeakPolarHBondContact O-CB 3.18Å; D677-R681 VanDerWaalsContact O-CG 3.3Å; D677-R681 WeakPolarHBondContact O-CG 3.4Å; D677-R681 PolarHBondContact O-N 2.89Å; L678-R681 PolarHBondContact O-N 2.61Å; E679-R681 PolarHBondContact O-N 2.68Å; R681-L685 WeakPolarHBondContact O-CG 3.49Å; R681-L685 PolarHBondContact O-N 3.13Å; R681-F730 HydrophobicContact CB-CD2 4.4Å; R681-F730 HydrophobicContact CB-CE1 4.02Å; R681-F730 HydrophobicContact CB-CE2 3.8Å; R681-F730 HydrophobicContact CB-CZ 3.57Å; R681-F730 VanDerWaalsContact CZ-CD2 3.45Å
682	I	87	Confident	84.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-44.9	170.3	-68.5	162.5	0	0	0	109.6	F664 V666 L678 E679 N680 L685 G686 G687 I689 L726 F730	F664-I682 HydrophobicContact CB-CD1 4.23Å; F664-I682 HydrophobicContact CB-CG2 4.39Å; F664-I682 HydrophobicContact CD2-CG2 3.53Å; F664-I682 HydrophobicContact CE2-CG2 4.06Å; F664-I682 HydrophobicContact CG-CD1 4.37Å; F664-I682 HydrophobicContact CG-CG2 4.12Å; V666-I682 HydrophobicContact CG2-CD1 3.68Å; L678-I682 WeakPolarHBondContact O-CD1 3.47Å; L678-I682 WeakPolarHBondContact O-CG1 2.95Å; L678-I682 PolarHBondContact O-N 3.22Å; E679-I682 PolarHBondContact O-N 3.28Å; N680-I682 PolarHBondContact O-N 3.46Å; I682-L685 CarbonylContact O-C 3.58Å; I682-L685 PolarHBondContact O-N 3.29Å; I682-G686 PolarHBondContact O-N 3.34Å; I682-G687 PolarHBondContact O-N 2.71Å; I682-I689 HydrophobicContact CB-CD1 4.23Å; I682-I689 HydrophobicContact CB-CG1 4.29Å; I682-I689 HydrophobicContact CG2-CD1 4.12Å; I682-I689 HydrophobicContact CG2-CG1 4.02Å; I682-L726 HydrophobicContact CD1-CD1 3.68Å; I682-L726 HydrophobicContact CG1-CD1 4.05Å; I682-L726 HydrophobicContact CG1-CD2 4.25Å; I682-F730 HydrophobicContact CG1-CE1 4.47Å; I682-F730 HydrophobicContact CG1-CZ 4.15Å
683	A	85.4	Confident	85.3	Confident	21 Å²	21	44.4 Å²	44.4	17%	0.174	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-40	178.1	0	0	0	0	0	112.6	L649 V652 E679 N680 L685 G686 I689	L649-A683 HydrophobicContact CD2-CB 3.96Å; V652-A683 HydrophobicContact CG1-CB 4.15Å; E679-A683 PolarHBondContact O-N 2.88Å; E679-A683 VanDerWaalsContact O-N 3.1Å; N680-A683 WeakPolarHBondContact O-CB 3.28Å; N680-A683 PolarHBondContact O-N 3.28Å; A683-L685 PolarHBondContact O-N 3.32Å; A683-G686 PolarHBondContact O-N 2.9Å; A683-I689 HydrophobicContact CB-CD1 3.77Å
684	E	85.1	Confident	85.4	Confident	62 Å²	62	43.2 Å²	43.2	29%	0.29	23%	0.233	S	C	.	.	H	α-helix	trans	-57.4	-30.7	173.9	-75	175.4	174.9	0	0	112.8	V652 I655 S656 N680	V652-E684 HydrophobicContact CG1-CB 4.44Å; V652-E684 HydrophobicContact CG1-CG 3.56Å; I655-E684 HydrophobicContact CD1-CB 4.09Å; I655-E684 HydrophobicContact CD1-CG 4.02Å; I655-E684 HydrophobicContact CG1-CB 4.2Å; I655-E684 HydrophobicContact CG1-CG 4.4Å; I655-E684 PolarHBondContact N-O 3.47Å; S656-E684 PolarHBondContact N-O 2.97Å; N680-E684 WeakPolarHBondContact O-CG 3.13Å; N680-E684 PolarHBondContact O-N 3.32Å
685	L	83.9	Confident	85.3	Confident	22 Å²	22	46.3 Å²	46.3	12%	0.115	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	10.9	179.5	-59.3	-179.6	0	0	0	113.3	S656 N657 I658 F659 R681 I682 A683 F730	S656-L685 CarbonylContact O-C 3.44Å; S656-L685 WeakPolarHBondContact O-CA 3.47Å; S656-L685 VanDerWaalsContact O-O 3.11Å; N657-L685 CarbonylContact C-O 3.56Å; I658-L685 HydrophobicContact CD1-CD2 4.25Å; I658-L685 PolarHBondContact N-O 2.98Å; I658-L685 VanDerWaalsContact N-O 3.16Å; F659-L685 HydrophobicContact CD2-CB 3.73Å; F659-L685 HydrophobicContact CD2-CD1 4.17Å; F659-L685 HydrophobicContact CE2-CB 4.29Å; F659-L685 HydrophobicContact CE2-CD1 3.87Å; F659-L685 PolarHBondContact N-O 3.12Å; R681-L685 WeakPolarHBondContact O-CG 3.49Å; R681-L685 PolarHBondContact O-N 3.13Å; I682-L685 CarbonylContact O-C 3.58Å; I682-L685 PolarHBondContact O-N 3.29Å; A683-L685 PolarHBondContact O-N 3.32Å; L685-F730 HydrophobicContact CD1-CD1 3.45Å; L685-F730 VanDerWaalsContact CD1-CD1 3.45Å; L685-F730 HydrophobicContact CD1-CE1 3.8Å
686	G	81.1	Confident	85.3	Confident	12 Å²	12	51.2 Å²	51.2	12%	0.124	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	8.7	171.3	0	0	0	0	0	116.3	S656 F659 I682 A683	S656-G686 PolarHBondContact O-N 3.2Å; F659-G686 CarbonylContact O-C 3.01Å; I682-G686 PolarHBondContact O-N 3.34Å; A683-G686 PolarHBondContact O-N 2.9Å
687	G	86.9	Confident	85.6	Confident	7 Å²	7	48.5 Å²	48.5	7%	0.072	26%	0.263	C	S	.	.			trans	-84.9	150.6	179.4	0	0	0	0	0	114.2	F659 I682	F659-G687 VanDerWaalsContact O-CA 3.28Å; F659-G687 WeakPolarHBondContact O-CA 3.35Å; I682-G687 PolarHBondContact O-N 2.71Å
688	Y	86.1	Confident	85.8	Confident	140 Å²	140	49.4 Å²	49.4	55%	0.549	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.1	177.1	-65.4	-80	0	0	0	110.8	V662 E663 F664	V662-Y688 PolarHBondContact O-N 3.24Å; E663-Y688 CarbonylContact C-O 3.41Å; E663-Y688 WeakPolarHBondContact CA-O 3.46Å; F664-Y688 PolarHBondContact N-O 3.41Å
689	I	88.4	Confident	86.1	Confident	35 Å²	35	49.4 Å²	49.4	18%	0.179	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.9	178.9	-61	109.4	0	0	0	110.9	F664 E679 I682 A683	F664-I689 WeakPolarHBondContact O-CA 3.37Å; E679-I689 HydrophobicContact CB-CD1 4.47Å; E679-I689 HydrophobicContact CB-CG1 4.35Å; E679-I689 HydrophobicContact CB-CG2 4.34Å; E679-I689 HydrophobicContact CG-CG2 3.83Å; E679-I689 WeakPolarHBondContact O-CD1 3.25Å; I682-I689 HydrophobicContact CB-CD1 4.23Å; I682-I689 HydrophobicContact CB-CG1 4.29Å; I682-I689 HydrophobicContact CG2-CD1 4.12Å; I682-I689 HydrophobicContact CG2-CG1 4.02Å; A683-I689 HydrophobicContact CB-CD1 3.77Å
690	V	86.2	Confident	86.3	Confident	35 Å²	35	49.2 Å²	49.2	21%	0.212	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	146.5	172.2	-65.4	0	0	0	0	112.2	E663 F664 C665 N692	E663-V690 VanDerWaalsContact CD-CG1 3.42Å; E663-V690 HydrophobicContact CG-CB 4.4Å; E663-V690 HydrophobicContact CG-CG1 3.72Å; E663-V690 HydrophobicContact CG-CG2 3.84Å; E663-V690 WeakPolarHBondContact OE2-CG1 3.32Å; F664-V690 WeakPolarHBondContact O-CG2 3.37Å; F664-V690 PolarHBondContact O-N 2.89Å; C665-V690 WeakPolarHBondContact CA-O 3.41Å; C665-V690 HydrophobicContact CB-CG2 3.87Å; C665-V690 PolarHBondContact SG-O 3.47Å; V690-N692 VanDerWaalsContact CG2-O 3.3Å; V690-N692 WeakPolarHBondContact CG2-O 3.26Å
691	Q	83.2	Confident	86.6	Confident	49 Å²	49	47 Å²	47	23%	0.229	25%	0.248	C	C	.	.	S	Bend	trans	-84.4	-13.6	-179.7	-64.7	-57.1	-46.9	0	0	113.5	E679 R708	E679-Q691 PolarHBondContact OE1-NE2 2.94Å; Q691-R708 PolarHBondContact O-NH2 2.95Å
692	N	84	Confident	87	Confident	108 Å²	108	43 Å²	43	58%	0.578	23%	0.233	S	C	*	.	S	Bend	trans	-138.7	138.6	173.6	-69.5	-68.7	0	0	0	109.1	V690 G694 R708	V690-N692 VanDerWaalsContact CG2-O 3.3Å; V690-N692 WeakPolarHBondContact CG2-O 3.26Å; N692-G694 PolarHBondContact O-N 3.11Å; N692-R708 PolarHBondContact OD1-NH2 3.41Å
693	P	86.3	Confident	86.9	Confident	34 Å²	34	44.6 Å²	44.6	22%	0.221	25%	0.25	C	S	.	.			trans	-69.8	123.9	178.9	28.3	-32.9	0	0	0	110.8	C665 M667 T697 V700 I712	C665-P693 HydrophobicContact CB-CB 4.29Å; M667-P693 HydrophobicContact CE-CG 4.4Å; P693-T697 WeakPolarHBondContact CA-OG1 3.23Å; P693-T697 HydrophobicContact CB-CG2 4.13Å; P693-V700 HydrophobicContact CB-CG2 3.81Å; P693-V700 HydrophobicContact CG-CG2 4.18Å; P693-I712 HydrophobicContact CG-CD1 4.11Å; P693-I712 HydrophobicContact CG-CG1 4.41Å
694	G	84.3	Confident	86.7	Confident	24 Å²	24	46.5 Å²	46.5	25%	0.247	26%	0.262	C	S	.	.			trans	-98.5	-176.9	172.4	0	0	0	0	0	112.4	N692 D696 T697 H718	N692-G694 PolarHBondContact O-N 3.11Å; G694-D696 PolarHBondContact O-N 2.86Å; G694-T697 PolarHBondContact N-OG1 3.26Å; G694-T697 PolarHBondContact O-N 3.35Å; G694-T697 PolarHBondContact O-OG1 3.48Å; G694-H718 PolarHBondContact O-NE2 2.98Å
695	P	83.3	Confident	86.4	Confident	124 Å²	124	49.9 Å²	49.9	81%	0.805	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.4	178.3	26	-32.8	0	0	0	113.2
696	D	85.3	Confident	86.2	Confident	128 Å²	128	51.8 Å²	51.8	68%	0.684	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-0.4	-177.4	-51.5	-52.2	0	0	0	113	G694 Y698	G694-D696 PolarHBondContact O-N 2.86Å; D696-Y698 PolarHBondContact O-N 3.37Å; D696-Y698 VanDerWaalsContact O-N 3.12Å
697	T	90.3	Very high	86	Confident	8 Å²	8	57.4 Å²	57.4	5%	0.049	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	113.7	177.4	-58.4	0	0	0	0	109.7	E663 C665 P693 G694 C699	E663-T697 VanDerWaalsContact OE1-CA 3.24Å; E663-T697 WeakPolarHBondContact OE1-CA 3.4Å; E663-T697 WeakPolarHBondContact OE1-CB 3.42Å; E663-T697 PolarHBondContact OE1-N 3.01Å; E663-T697 VanDerWaalsContact OE1-N 3.16Å; E663-T697 PolarHBondContact OE1-OG1 3.41Å; C665-T697 HydrophobicContact CB-CG2 3.82Å; P693-T697 WeakPolarHBondContact CA-OG1 3.23Å; P693-T697 HydrophobicContact CB-CG2 4.13Å; G694-T697 PolarHBondContact N-OG1 3.26Å; G694-T697 PolarHBondContact O-N 3.35Å; G694-T697 PolarHBondContact O-OG1 3.48Å; T697-C699 WeakPolarHBondContact CG2-O 3.48Å
698	Y	89.9	Confident	85.6	Confident	93 Å²	93	61.1 Å²	61.1	37%	0.365	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	-47.3	-179.5	179.2	-106.4	0	0	0	111.9	V662 E663 F664 D696 W725 F735 W738	V662-Y698 HydrophobicContact CG1-CD1 3.71Å; V662-Y698 HydrophobicContact CG1-CD2 4.37Å; V662-Y698 HydrophobicContact CG1-CG 3.6Å; E663-Y698 WeakPolarHBondContact O-CB 3.46Å; E663-Y698 PolarHBondContact O-N 3.25Å; F664-Y698 HydrophobicContact CE1-CD1 4.18Å; D696-Y698 PolarHBondContact O-N 3.37Å; D696-Y698 VanDerWaalsContact O-N 3.12Å; Y698-W725 HydrophobicContact CE1-CH2 4.32Å; Y698-F735 AromaticContact CE1-CZ 3.77Å; Y698-F735 HydrophobicContact CE1-CZ 3.77Å; Y698-F735 AromaticContact CZ-CZ 3.81Å; Y698-W738 HydrophobicContact CD1-CH2 4.29Å; Y698-W738 AromaticContact CD1-CZ2 3.8Å; Y698-W738 HydrophobicContact CD1-CZ2 3.8Å; Y698-W738 AromaticContact CE1-CE2 3.8Å; Y698-W738 AromaticContact CE1-CH2 3.78Å; Y698-W738 HydrophobicContact CE1-CH2 3.78Å; Y698-W738 AromaticContact CE1-CZ2 3.14Å; Y698-W738 HydrophobicContact CE1-CZ2 3.14Å; Y698-W738 HydrophobicContact CE2-CH2 4.37Å; Y698-W738 HydrophobicContact CE2-CZ2 4.5Å; Y698-W738 AromaticContact CZ-CH2 3.8Å; Y698-W738 AromaticContact CZ-CZ2 3.55Å
699	C	91.8	Very high	85.6	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	160.1	173.6	71.7	0	0	0	0	114	C665 T697 V721 W738	C665-C699 PolarHBondContact N-O 2.86Å; T697-C699 WeakPolarHBondContact CG2-O 3.48Å; C699-V721 HydrophobicContact CB-CG2 3.85Å; C699-W738 HydrophobicContact CB-CH2 3.79Å; C699-W738 HydrophobicContact CB-CZ2 3.51Å
700	V	92.9	Very high	85.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.4	175.1	-178.2	0	0	0	0	109.9	C665 M667 P693 I712 H718 D719 V720 V721	C665-V700 HydrophobicContact CB-CG2 4.28Å; C665-V700 CarbonylContact O-C 3.5Å; C665-V700 WeakPolarHBondContact O-CA 3.45Å; M667-V700 HydrophobicContact CB-CG1 4.32Å; M667-V700 HydrophobicContact CG-CG1 3.45Å; M667-V700 VanDerWaalsContact CG-CG1 3.45Å; P693-V700 HydrophobicContact CB-CG2 3.81Å; P693-V700 HydrophobicContact CG-CG2 4.18Å; V700-I712 HydrophobicContact CG1-CD1 4.13Å; V700-I712 HydrophobicContact CG2-CG2 4.21Å; V700-H718 HydrophobicContact CG2-CB 4.1Å; V700-D719 PolarHBondContact N-O 3.05Å; V700-V720 HydrophobicContact CB-CG2 4.38Å; V700-V720 CarbonylContact O-C 3.59Å; V700-V720 VanDerWaalsContact O-CA 3.3Å; V700-V720 WeakPolarHBondContact O-CA 3.5Å; V700-V721 PolarHBondContact O-N 3.22Å
701	I	93.4	Very high	85.3	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.6	179.2	-53.2	-62.5	0	0	0	110.1	C665 V666 M667 V721 P723 W725 L726	C665-I701 PolarHBondContact O-N 3.37Å; V666-I701 HydrophobicContact CG1-CB 4.4Å; V666-I701 HydrophobicContact CG1-CG2 4.48Å; V666-I701 HydrophobicContact CG2-CB 4.34Å; M667-I701 PolarHBondContact N-O 2.98Å; I701-V721 WeakPolarHBondContact CA-O 3.36Å; I701-V721 HydrophobicContact CD1-CB 4.04Å; I701-P723 HydrophobicContact CG2-CB 4.21Å; I701-P723 HydrophobicContact CG2-CG 3.84Å; I701-W725 HydrophobicContact CD1-CE3 4.15Å; I701-W725 HydrophobicContact CD1-CZ3 4.22Å; I701-L726 HydrophobicContact CB-CD1 4.45Å; I701-L726 HydrophobicContact CD1-CD1 3.89Å; I701-L726 HydrophobicContact CD1-CG 4.07Å; I701-L726 HydrophobicContact CG1-CD1 3.74Å; I701-L726 HydrophobicContact CG1-CG 4.46Å; I701-L726 HydrophobicContact CG2-CD1 4.04Å
702	A	91.7	Very high	85.4	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	115.3	-179.7	0	0	0	0	0	113	M667 S704 V709 V720 V721 P723 I744	M667-A702 HydrophobicContact CB-CB 4.4Å; A702-S704 VanDerWaalsContact C-N 3.34Å; A702-V709 HydrophobicContact CB-CB 4.49Å; A702-V709 HydrophobicContact CB-CG1 3.95Å; A702-V709 HydrophobicContact CB-CG2 3.67Å; A702-V720 HydrophobicContact CB-CG1 3.91Å; A702-V721 PolarHBondContact N-O 3.08Å; A702-P723 WeakPolarHBondContact O-CD 3.35Å; A702-I744 HydrophobicContact CB-CD1 4.22Å; A702-I744 WeakPolarHBondContact O-CD1 3.49Å
703	G	84.3	Confident	85.6	Confident	34 Å²	34	56.2 Å²	56.2	35%	0.351	30%	0.302	S	S	.	.	S	Bend	trans	-75.3	-21.4	172	0	0	0	0	0	113.9	S668	S668-G703 PolarHBondContact O-N 3.15Å; S668-G703 PolarHBondContact OG-N 3.04Å
704	S	81.3	Confident	85.6	Confident	61 Å²	61	61.2 Å²	61.2	43%	0.427	33%	0.326	S	S	.	.	S	Bend	trans	-142.4	142.5	-177.3	61.5	0	0	0	0	113.3	S668 A702 N706	S668-S704 PolarHBondContact OG-N 3.24Å; S668-S704 VanDerWaalsContact OG-N 3.11Å; S668-S704 PolarHBondContact OG-O 2.91Å; S668-S704 PolarHBondContact OG-OG 2.95Å; A702-S704 VanDerWaalsContact C-N 3.34Å; S704-N706 VanDerWaalsContact C-N 3.3Å; S704-N706 PolarHBondContact O-N 3.42Å
705	K	79.8	Confident	85.6	Confident	133 Å²	133	62.7 Å²	62.7	58%	0.578	33%	0.332	S	S	*	.			trans	-81.7	66.2	-178.7	-69.9	-178.1	174	179.8	0	112.5	K710 I744	K705-K710 WeakPolarHBondContact O-CE 3.47Å; K705-I744 HydrophobicContact CD-CG2 4.46Å; K705-I744 HydrophobicContact CG-CG2 4.32Å
706	N	80.6	Confident	85.8	Confident	61 Å²	61	60.2 Å²	60.2	33%	0.326	31%	0.312	S	S	.	.			trans	-74.3	173.1	173.8	68.8	34.5	0	0	0	112.1	S704 R708 V709 K710	S704-N706 VanDerWaalsContact C-N 3.3Å; S704-N706 PolarHBondContact O-N 3.42Å; N706-R708 PolarHBondContact O-N 3.41Å; N706-R708 PolarHBondContact OD1-N 2.86Å; N706-R708 VanDerWaalsContact OD1-N 3.14Å; N706-V709 PolarHBondContact O-N 3.24Å; N706-V709 WeakPolarHBondContact OD1-CG2 3.42Å; N706-V709 PolarHBondContact OD1-N 2.97Å; N706-K710 WeakPolarHBondContact O-CG 3.47Å; N706-K710 PolarHBondContact O-N 2.79Å
707	I	76.1	Confident	85.9	Confident	130 Å²	130	61.8 Å²	61.8	67%	0.667	31%	0.313	S	S	*	.	H	α-helix	trans	-57.8	-36.9	-176	-64.1	168.9	0	0	0	111.9	K710 N711	I707-K710 WeakPolarHBondContact O-CB 3.32Å; I707-K710 PolarHBondContact O-N 2.96Å; I707-N711 VanDerWaalsContact O-CG 3.25Å; I707-N711 PolarHBondContact O-N 2.99Å; I707-N711 PolarHBondContact O-OD1 3.45Å
708	R	78.7	Confident	85.9	Confident	85 Å²	85	62.8 Å²	62.8	32%	0.321	32%	0.317	S	S	.	.	H	α-helix	trans	-70.2	-43.2	-179	-165.5	170.9	174.7	-161	-9.1	111.6	M667 Q691 N692 N706 K710 N711 I712	M667-R708 HydrophobicContact SD-CG 4.07Å; Q691-R708 PolarHBondContact O-NH2 2.95Å; N692-R708 PolarHBondContact OD1-NH2 3.41Å; N706-R708 PolarHBondContact O-N 3.41Å; N706-R708 PolarHBondContact OD1-N 2.86Å; N706-R708 VanDerWaalsContact OD1-N 3.14Å; R708-K710 VanDerWaalsContact C-N 3.34Å; R708-K710 PolarHBondContact O-N 3.27Å; R708-N711 WeakPolarHBondContact O-CB 3.28Å; R708-N711 PolarHBondContact O-N 2.8Å; R708-I712 WeakPolarHBondContact O-CG1 3.48Å; R708-I712 PolarHBondContact O-N 3.41Å
709	V	85	Confident	86.1	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-41.6	172.4	175.8	0	0	0	0	110.6	M667 A702 N706 N711 I712 I713 V720	M667-V709 HydrophobicContact CB-CG2 3.78Å; M667-V709 HydrophobicContact CG-CG2 4.23Å; A702-V709 HydrophobicContact CB-CB 4.49Å; A702-V709 HydrophobicContact CB-CG1 3.95Å; A702-V709 HydrophobicContact CB-CG2 3.67Å; N706-V709 PolarHBondContact O-N 3.24Å; N706-V709 WeakPolarHBondContact OD1-CG2 3.42Å; N706-V709 PolarHBondContact OD1-N 2.97Å; V709-N711 VanDerWaalsContact C-N 3.3Å; V709-N711 PolarHBondContact O-N 2.93Å; V709-I712 PolarHBondContact O-N 2.69Å; V709-I713 HydrophobicContact CG1-CD1 3.91Å; V709-I713 HydrophobicContact CG1-CG1 4.37Å; V709-I713 VanDerWaalsContact O-CG1 3.24Å; V709-I713 WeakPolarHBondContact O-CG1 3.22Å; V709-I713 PolarHBondContact O-N 3.4Å; V709-V720 HydrophobicContact CG1-CG1 4.05Å
710	K	85.8	Confident	86.2	Confident	115 Å²	115	59 Å²	59	50%	0.5	30%	0.303	S	S	.	.	H	α-helix	trans	-59.1	-40.2	173.6	-71.7	178.7	-177.6	179.6	0	112.2	K705 N706 I707 R708 I713 L714	K705-K710 WeakPolarHBondContact O-CE 3.47Å; N706-K710 WeakPolarHBondContact O-CG 3.47Å; N706-K710 PolarHBondContact O-N 2.79Å; I707-K710 WeakPolarHBondContact O-CB 3.32Å; I707-K710 PolarHBondContact O-N 2.96Å; R708-K710 VanDerWaalsContact C-N 3.34Å; R708-K710 PolarHBondContact O-N 3.27Å; K710-I713 PolarHBondContact O-N 3.03Å; K710-L714 WeakPolarHBondContact O-CB 3.48Å; K710-L714 WeakPolarHBondContact O-CG 3.41Å; K710-L714 PolarHBondContact O-N 3.36Å
711	N	83	Confident	86.2	Confident	94 Å²	94	59 Å²	59	50%	0.503	30%	0.303	S	S	.	.	H	α-helix	trans	-67	-37.4	176.8	-69.3	-15	0	0	0	112.4	I707 R708 V709 L714 S715	I707-N711 VanDerWaalsContact O-CG 3.25Å; I707-N711 PolarHBondContact O-N 2.99Å; I707-N711 PolarHBondContact O-OD1 3.45Å; R708-N711 WeakPolarHBondContact O-CB 3.28Å; R708-N711 PolarHBondContact O-N 2.8Å; V709-N711 VanDerWaalsContact C-N 3.3Å; V709-N711 PolarHBondContact O-N 2.93Å; N711-L714 PolarHBondContact O-N 3.22Å; N711-S715 PolarHBondContact O-N 3.43Å
712	I	85.8	Confident	86.2	Confident	17 Å²	17	62.9 Å²	62.9	9%	0.087	32%	0.32	C	S	.	.	H	α-helix	trans	-64.8	-46.1	174.2	-66.6	166.3	0	0	0	110.1	M667 P693 V700 R708 V709 L714 S715 N716 H718 V720	M667-I712 HydrophobicContact CE-CD1 3.49Å; M667-I712 VanDerWaalsContact CE-CD1 3.49Å; M667-I712 HydrophobicContact CG-CD1 4.1Å; M667-I712 HydrophobicContact SD-CD1 3.89Å; P693-I712 HydrophobicContact CG-CD1 4.11Å; P693-I712 HydrophobicContact CG-CG1 4.41Å; V700-I712 HydrophobicContact CG1-CD1 4.13Å; V700-I712 HydrophobicContact CG2-CG2 4.21Å; R708-I712 WeakPolarHBondContact O-CG1 3.48Å; R708-I712 PolarHBondContact O-N 3.41Å; V709-I712 PolarHBondContact O-N 2.69Å; I712-L714 VanDerWaalsContact C-N 3.32Å; I712-L714 PolarHBondContact O-N 3.05Å; I712-S715 WeakPolarHBondContact O-CB 3.31Å; I712-S715 PolarHBondContact O-N 2.88Å; I712-S715 PolarHBondContact O-OG 2.94Å; I712-N716 PolarHBondContact O-N 2.96Å; I712-H718 HydrophobicContact CG2-CB 4.41Å; I712-V720 HydrophobicContact CG2-CG2 3.98Å
713	I	88.5	Confident	86.1	Confident	38 Å²	38	63 Å²	63	20%	0.195	32%	0.321	C	S	.	.	H	α-helix	trans	-58.2	-44	174.6	-67.6	172.8	0	0	0	111.1	V709 K710 S715 N716 V720 I744 H745	V709-I713 HydrophobicContact CG1-CD1 3.91Å; V709-I713 HydrophobicContact CG1-CG1 4.37Å; V709-I713 VanDerWaalsContact O-CG1 3.24Å; V709-I713 WeakPolarHBondContact O-CG1 3.22Å; V709-I713 PolarHBondContact O-N 3.4Å; K710-I713 PolarHBondContact O-N 3.03Å; I713-S715 PolarHBondContact O-N 3.46Å; I713-N716 PolarHBondContact O-N 2.96Å; I713-N716 VanDerWaalsContact O-N 3.16Å; I713-V720 HydrophobicContact CG1-CG2 3.93Å; I713-I744 HydrophobicContact CD1-CG2 3.96Å; I713-H745 HydrophobicContact CB-CB 4.37Å; I713-H745 HydrophobicContact CD1-CB 4.17Å; I713-H745 HydrophobicContact CG1-CB 3.67Å; I713-H745 HydrophobicContact CG2-CB 4.13Å; I713-H745 PolarHBondContact O-NE2 3.43Å
714	L	85.7	Confident	86.4	Confident	140 Å²	140	63.7 Å²	63.7	73%	0.733	32%	0.323	S	S	*	.	H	α-helix	trans	-66.1	-27.3	177.4	-73.7	169.9	0	0	0	112.9	K710 N711 I712 N716	K710-L714 WeakPolarHBondContact O-CB 3.48Å; K710-L714 WeakPolarHBondContact O-CG 3.41Å; K710-L714 PolarHBondContact O-N 3.36Å; N711-L714 PolarHBondContact O-N 3.22Å; I712-L714 VanDerWaalsContact C-N 3.32Å; I712-L714 PolarHBondContact O-N 3.05Å; L714-N716 PolarHBondContact O-N 3.13Å
715	S	85.4	Confident	86.9	Confident	54 Å²	54	60.8 Å²	60.8	38%	0.378	30%	0.303	S	S	.	.	H	α-helix	trans	-69.2	-25.9	175.6	82.7	0	0	0	0	112.3	N711 I712 I713 K717	N711-S715 PolarHBondContact O-N 3.43Å; I712-S715 WeakPolarHBondContact O-CB 3.31Å; I712-S715 PolarHBondContact O-N 2.88Å; I712-S715 PolarHBondContact O-OG 2.94Å; I713-S715 PolarHBondContact O-N 3.46Å; S715-K717 WeakPolarHBondContact O-CG 3.31Å; S715-K717 PolarHBondContact O-N 2.96Å
716	N	86.2	Confident	87.4	Confident	72 Å²	72	54.4 Å²	54.4	39%	0.385	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	27.1	177.4	-159.7	47.3	0	0	0	114.1	I712 I713 L714 H745 P748	I712-N716 PolarHBondContact O-N 2.96Å; I713-N716 PolarHBondContact O-N 2.96Å; I713-N716 VanDerWaalsContact O-N 3.16Å; L714-N716 PolarHBondContact O-N 3.13Å; N716-H745 PolarHBondContact OD1-CE1 3.26Å; N716-H745 PolarHBondContact OD1-NE2 2.78Å; N716-P748 VanDerWaalsContact ND2-CG 3.32Å; N716-P748 WeakPolarHBondContact ND2-CG 3.33Å
717	K	87.5	Confident	87.8	Confident	162 Å²	162	54 Å²	54	70%	0.704	27%	0.273	S	S	*	.	S	Bend	trans	-103	-25.4	-176.8	-71.3	-176.8	-179.5	-172.5	0	114.4	S715	S715-K717 WeakPolarHBondContact O-CG 3.31Å; S715-K717 PolarHBondContact O-N 2.96Å
718	H	91.1	Very high	88.4	Confident	28 Å²	28	50.6 Å²	50.6	13%	0.13	25%	0.254	C	S	.	.	S	Bend	trans	-130.3	144.1	-173.2	-62.9	93.5	0	0	0	110.4	G694 V700 I712	G694-H718 PolarHBondContact O-NE2 2.98Å; V700-H718 HydrophobicContact CG2-CB 4.1Å; I712-H718 HydrophobicContact CG2-CB 4.41Å
719	D	94.1	Very high	88.8	Confident	13 Å²	13	46.5 Å²	46.5	7%	0.07	24%	0.238	C	C	.	.			trans	-72.7	133.7	170.3	-68.8	-55.3	0	0	0	110.6	V700 W738 M743 M746 C747 T750	V700-D719 PolarHBondContact N-O 3.05Å; D719-W738 HydrophobicContact CB-CH2 3.97Å; D719-W738 HydrophobicContact CB-CZ3 3.95Å; D719-M743 HydrophobicContact CB-CE 3.85Å; D719-M746 VanDerWaalsContact OD1-CA 3.23Å; D719-M746 WeakPolarHBondContact OD1-CA 3.4Å; D719-C747 PolarHBondContact OD1-N 3.21Å; D719-C747 PolarHBondContact OD1-SG 3.31Å; D719-C747 VanDerWaalsContact OD1-SG 3.42Å; D719-C747 PolarHBondContact OD2-SG 2.82Å; D719-C747 VanDerWaalsContact OD2-SG 3.35Å; D719-T750 WeakPolarHBondContact OD1-CB 3.47Å; D719-T750 PolarHBondContact OD1-OG1 3.25Å; D719-T750 PolarHBondContact OD2-OG1 3.4Å
720	V	93.3	Very high	88.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.7	177.5	-172.1	0	0	0	0	108.6	V700 A702 V709 I712 I713 I744 H745	V700-V720 HydrophobicContact CB-CG2 4.38Å; V700-V720 CarbonylContact O-C 3.59Å; V700-V720 VanDerWaalsContact O-CA 3.3Å; V700-V720 WeakPolarHBondContact O-CA 3.5Å; A702-V720 HydrophobicContact CB-CG1 3.91Å; V709-V720 HydrophobicContact CG1-CG1 4.05Å; I712-V720 HydrophobicContact CG2-CG2 3.98Å; I713-V720 HydrophobicContact CG1-CG2 3.93Å; V720-I744 HydrophobicContact CB-CB 4.19Å; V720-I744 HydrophobicContact CG1-CB 3.97Å; V720-I744 HydrophobicContact CG1-CD1 4.32Å; V720-I744 HydrophobicContact CG1-CG2 4.2Å; V720-I744 WeakPolarHBondContact O-CA 3.48Å; V720-I744 WeakPolarHBondContact O-CB 3.44Å; V720-I744 PolarHBondContact O-N 2.92Å; V720-H745 HydrophobicContact CB-CB 4.05Å; V720-H745 HydrophobicContact CG2-CB 4.12Å; V720-H745 PolarHBondContact N-O 3.5Å; V720-H745 PolarHBondContact O-N 3.23Å
721	V	93.9	Very high	89	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143	-170.5	-169.8	0	0	0	0	110.2	C699 V700 I701 A702 W725 W738 F742 M743	C699-V721 HydrophobicContact CB-CG2 3.85Å; V700-V721 PolarHBondContact O-N 3.22Å; I701-V721 WeakPolarHBondContact CA-O 3.36Å; I701-V721 HydrophobicContact CD1-CB 4.04Å; A702-V721 PolarHBondContact N-O 3.08Å; V721-W725 HydrophobicContact CG1-CB 3.78Å; V721-W725 HydrophobicContact CG1-CD2 4.18Å; V721-W725 HydrophobicContact CG1-CE3 4.04Å; V721-W725 HydrophobicContact CG1-CG 4.08Å; V721-W738 HydrophobicContact CG2-CH2 4.49Å; V721-W738 HydrophobicContact CG2-CZ2 3.93Å; V721-F742 CarbonylContact C-O 3.56Å; V721-F742 HydrophobicContact CG1-CB 4.09Å; V721-M743 HydrophobicContact CG1-SD 4.36Å; V721-M743 HydrophobicContact CG2-CE 3.98Å; V721-M743 HydrophobicContact CG2-SD 3.91Å
722	K	92	Very high	89	Confident	82 Å²	82	49.2 Å²	49.2	36%	0.357	25%	0.251	S	S	.	.			trans	-70.3	144.5	175.4	-64.9	178.6	-170.3	164.8	0	109.9	A724 W725 R741 F742 I744	K722-A724 HydrophobicContact CB-CB 4.43Å; K722-A724 PolarHBondContact O-N 3.1Å; K722-W725 PolarHBondContact O-N 2.96Å; K722-R741 WeakPolarHBondContact CD-O 3.3Å; K722-R741 WeakPolarHBondContact CE-O 3.33Å; K722-R741 PolarHBondContact NZ-O 3.12Å; K722-F742 WeakPolarHBondContact CB-O 3.38Å; K722-F742 WeakPolarHBondContact CG-O 3.27Å; K722-F742 PolarHBondContact N-O 2.86Å; K722-I744 HydrophobicContact CG-CD1 3.85Å; K722-I744 HydrophobicContact CG-CG1 3.51Å
723	P	91.3	Very high	88.8	Confident	4 Å²	4	56.4 Å²	56.4	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-55.7	-25	173.9	-27.4	34.7	0	0	0	114.3	T670 L678 I701 A702 W725 L726 L727	T670-P723 HydrophobicContact CG2-CB 4.06Å; T670-P723 HydrophobicContact CG2-CG 3.99Å; L678-P723 HydrophobicContact CD1-CB 4.04Å; L678-P723 HydrophobicContact CD1-CG 4.35Å; I701-P723 HydrophobicContact CG2-CB 4.21Å; I701-P723 HydrophobicContact CG2-CG 3.84Å; A702-P723 WeakPolarHBondContact O-CD 3.35Å; P723-W725 PolarHBondContact O-N 3.2Å; P723-L726 WeakPolarHBondContact O-CB 3.48Å; P723-L726 PolarHBondContact O-N 2.86Å; P723-L727 WeakPolarHBondContact O-CG 3.4Å; P723-L727 PolarHBondContact O-N 3.09Å; P723-L727 VanDerWaalsContact O-N 3.11Å
724	A	88.9	Confident	88.6	Confident	48 Å²	48	57.1 Å²	57.1	40%	0.397	29%	0.291	S	S	.	.	H	α-helix	trans	-52.9	-36	177.1	0	0	0	0	0	113.4	K722 L727 E728 F742	K722-A724 HydrophobicContact CB-CB 4.43Å; K722-A724 PolarHBondContact O-N 3.1Å; A724-L727 PolarHBondContact O-N 3.42Å; A724-E728 PolarHBondContact O-N 3.32Å; A724-F742 HydrophobicContact CB-CD1 4.41Å
725	W	92.4	Very high	88.6	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-45.3	176.6	170.2	70.2	0	0	0	112.5	F659 F664 Y698 I701 V721 K722 P723 L727 E728 C729 F735 V736 W738 F742	F659-W725 HydrophobicContact CE1-CH2 4.23Å; F664-W725 AromaticContact CE1-CH2 3.8Å; F664-W725 HydrophobicContact CE1-CH2 3.8Å; F664-W725 AromaticContact CE1-CZ3 3.72Å; F664-W725 HydrophobicContact CE1-CZ3 3.72Å; F664-W725 HydrophobicContact CZ-CH2 4.26Å; Y698-W725 HydrophobicContact CE1-CH2 4.32Å; I701-W725 HydrophobicContact CD1-CE3 4.15Å; I701-W725 HydrophobicContact CD1-CZ3 4.22Å; V721-W725 HydrophobicContact CG1-CB 3.78Å; V721-W725 HydrophobicContact CG1-CD2 4.18Å; V721-W725 HydrophobicContact CG1-CE3 4.04Å; V721-W725 HydrophobicContact CG1-CG 4.08Å; K722-W725 PolarHBondContact O-N 2.96Å; P723-W725 PolarHBondContact O-N 3.2Å; W725-L727 VanDerWaalsContact C-N 3.3Å; W725-L727 PolarHBondContact O-N 3.29Å; W725-E728 WeakPolarHBondContact O-CB 3.23Å; W725-E728 PolarHBondContact O-N 2.87Å; W725-C729 VanDerWaalsContact CE2-SG 3.57Å; W725-C729 PolarHBondContact O-N 3.01Å; W725-C729 PolarHBondContact O-SG 2.9Å; W725-F735 HydrophobicContact CH2-CE2 4.34Å; W725-F735 HydrophobicContact CH2-CZ 4.25Å; W725-F735 HydrophobicContact CZ2-CE1 4.22Å; W725-F735 HydrophobicContact CZ2-CE2 4.25Å; W725-F735 AromaticContact CZ2-CZ 3.93Å; W725-F735 HydrophobicContact CZ2-CZ 3.93Å; W725-V736 PolarHBondContact NE1-O 3.08Å; W725-W738 AromaticContact CD1-CD1 3.8Å; W725-W738 AromaticContact CD2-CD1 3.9Å; W725-W738 AromaticContact CD2-NE1 3.69Å; W725-W738 AromaticContact CE2-CD1 3.47Å; W725-W738 VanDerWaalsContact CE2-CD1 3.47Å; W725-W738 AromaticContact CE2-NE1 3.36Å; W725-W738 AromaticContact CH2-NE1 3.84Å; W725-W738 AromaticContact CZ2-CD1 3.92Å; W725-W738 AromaticContact CZ2-NE1 3.44Å; W725-W738 AromaticContact NE1-CD1 3.39Å; W725-W738 AromaticContact NE1-NE1 3.81Å; W725-F742 HydrophobicContact CB-CB 3.91Å; W725-F742 HydrophobicContact CB-CD1 3.74Å; W725-F742 HydrophobicContact CB-CD2 4.07Å; W725-F742 HydrophobicContact CB-CE1 4.17Å; W725-F742 HydrophobicContact CB-CE2 4.48Å; W725-F742 HydrophobicContact CB-CG 3.66Å; W725-F742 HydrophobicContact CB-CZ 4.49Å; W725-F742 AromaticContact CD1-CD2 3.73Å; W725-F742 AromaticContact CD1-CE2 3.83Å; W725-F742 HydrophobicContact CG-CD2 4.23Å; W725-F742 HydrophobicContact CG-CG 4.28Å
726	L	90	Very high	88.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62	-41	175.8	-79.5	178.2	0	0	0	111.4	F659 F664 I682 I701 P723 E728 C729 F730	F659-L726 HydrophobicContact CE2-CD2 4.11Å; F659-L726 HydrophobicContact CZ-CD2 3.9Å; F664-L726 HydrophobicContact CE1-CD2 4.38Å; I682-L726 HydrophobicContact CD1-CD1 3.68Å; I682-L726 HydrophobicContact CG1-CD1 4.05Å; I682-L726 HydrophobicContact CG1-CD2 4.25Å; I701-L726 HydrophobicContact CB-CD1 4.45Å; I701-L726 HydrophobicContact CD1-CD1 3.89Å; I701-L726 HydrophobicContact CD1-CG 4.07Å; I701-L726 HydrophobicContact CG1-CD1 3.74Å; I701-L726 HydrophobicContact CG1-CG 4.46Å; I701-L726 HydrophobicContact CG2-CD1 4.04Å; P723-L726 WeakPolarHBondContact O-CB 3.48Å; P723-L726 PolarHBondContact O-N 2.86Å; L726-E728 PolarHBondContact O-N 3.46Å; L726-C729 WeakPolarHBondContact O-CB 3.35Å; L726-C729 PolarHBondContact O-N 3.16Å; L726-F730 HydrophobicContact CB-CE1 4.48Å; L726-F730 HydrophobicContact CB-CE2 4.1Å; L726-F730 HydrophobicContact CB-CZ 4.01Å; L726-F730 HydrophobicContact CD2-CE1 4.41Å; L726-F730 HydrophobicContact CD2-CZ 4.43Å; L726-F730 WeakPolarHBondContact O-CB 3.39Å; L726-F730 VanDerWaalsContact O-CD1 3.32Å; L726-F730 WeakPolarHBondContact O-CD1 3.32Å; L726-F730 VanDerWaalsContact O-CD2 3.32Å; L726-F730 WeakPolarHBondContact O-CD2 3.49Å; L726-F730 WeakPolarHBondContact O-CG 3.37Å; L726-F730 PolarHBondContact O-N 2.89Å
727	L	89	Confident	88.7	Confident	52 Å²	52	53.6 Å²	53.6	27%	0.272	27%	0.27	S	S	.	.	H	α-helix	trans	-61.8	-35.4	177.3	-60	179.1	0	0	0	112	Q673 L678 P723 A724 W725 F730 K731	Q673-L727 HydrophobicContact CG-CD1 4.22Å; Q673-L727 HydrophobicContact CG-CD2 3.83Å; L678-L727 HydrophobicContact CD2-CD2 4.13Å; P723-L727 WeakPolarHBondContact O-CG 3.4Å; P723-L727 PolarHBondContact O-N 3.09Å; P723-L727 VanDerWaalsContact O-N 3.11Å; A724-L727 PolarHBondContact O-N 3.42Å; W725-L727 VanDerWaalsContact C-N 3.3Å; W725-L727 PolarHBondContact O-N 3.29Å; L727-F730 HydrophobicContact CD2-CD2 3.93Å; L727-F730 HydrophobicContact CD2-CE2 4.2Å; L727-F730 PolarHBondContact O-N 3.38Å; L727-K731 WeakPolarHBondContact O-CB 3.39Å; L727-K731 PolarHBondContact O-N 3.39Å
728	E	87.9	Confident	88.8	Confident	58 Å²	58	47.4 Å²	47.4	27%	0.271	24%	0.243	S	C	.	.	H	α-helix	trans	-70.1	-41.2	175.1	-158	162.2	138.8	0	0	111.7	A724 W725 L726 F730 K731 T732 V736 R741 F742	A724-E728 PolarHBondContact O-N 3.32Å; W725-E728 WeakPolarHBondContact O-CB 3.23Å; W725-E728 PolarHBondContact O-N 2.87Å; L726-E728 PolarHBondContact O-N 3.46Å; E728-F730 VanDerWaalsContact C-N 3.33Å; E728-F730 PolarHBondContact O-N 3.35Å; E728-K731 PolarHBondContact O-N 3.17Å; E728-T732 WeakPolarHBondContact O-CB 2.94Å; E728-T732 WeakPolarHBondContact O-CG2 3.44Å; E728-T732 PolarHBondContact O-N 3.36Å; E728-T732 PolarHBondContact O-OG1 3.42Å; E728-V736 HydrophobicContact CG-CG2 4.4Å; E728-R741 IonicContact OE1-CZ 3.69Å; E728-R741 IonicContact OE1-NH1 2.81Å; E728-R741 IonicContact OE1-NH2 2.71Å; E728-R741 PolarHBondContact OE1-NH2 3.33Å; E728-R741 IonicContact OE2-CZ 2.75Å; E728-R741 IonicContact OE2-NH1 3.73Å; E728-R741 PolarHBondContact OE2-NH1 2.94Å; E728-R741 IonicContact OE2-NH2 3.99Å; E728-R741 PolarHBondContact OE2-NH2 2.92Å; E728-F742 VanDerWaalsContact OE2-CZ 3.23Å; E728-F742 WeakPolarHBondContact OE2-CZ 3.38Å
729	C	87.5	Confident	88.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-42.5	171.9	-62.6	0	0	0	0	111.7	F659 W725 L726 K731 T732 K733 S734	F659-C729 HydrophobicContact CE1-CB 4.5Å; F659-C729 HydrophobicContact CZ-CB 3.73Å; W725-C729 VanDerWaalsContact CE2-SG 3.57Å; W725-C729 PolarHBondContact O-N 3.01Å; W725-C729 PolarHBondContact O-SG 2.9Å; L726-C729 WeakPolarHBondContact O-CB 3.35Å; L726-C729 PolarHBondContact O-N 3.16Å; C729-K731 PolarHBondContact O-N 3.42Å; C729-T732 PolarHBondContact O-OG1 2.78Å; C729-K733 WeakPolarHBondContact O-CA 3.27Å; C729-K733 PolarHBondContact O-N 3.42Å; C729-S734 WeakPolarHBondContact CA-O 3.28Å; C729-S734 PolarHBondContact O-N 2.83Å
730	F	87.9	Confident	88.1	Confident	12 Å²	12	49.3 Å²	49.3	5%	0.053	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-38.5	177.4	-60.5	-23.2	0	0	0	112.5	F659 L678 R681 I682 L685 L726 L727 E728	F659-F730 HydrophobicContact CE2-CD1 4.35Å; F659-F730 AromaticContact CE2-CE1 3.94Å; F659-F730 HydrophobicContact CE2-CE1 3.94Å; L678-F730 HydrophobicContact CD2-CE2 4.06Å; R681-F730 HydrophobicContact CB-CD2 4.4Å; R681-F730 HydrophobicContact CB-CE1 4.02Å; R681-F730 HydrophobicContact CB-CE2 3.8Å; R681-F730 HydrophobicContact CB-CZ 3.57Å; R681-F730 VanDerWaalsContact CZ-CD2 3.45Å; I682-F730 HydrophobicContact CG1-CE1 4.47Å; I682-F730 HydrophobicContact CG1-CZ 4.15Å; L685-F730 HydrophobicContact CD1-CD1 3.45Å; L685-F730 VanDerWaalsContact CD1-CD1 3.45Å; L685-F730 HydrophobicContact CD1-CE1 3.8Å; L726-F730 HydrophobicContact CB-CE1 4.48Å; L726-F730 HydrophobicContact CB-CE2 4.1Å; L726-F730 HydrophobicContact CB-CZ 4.01Å; L726-F730 HydrophobicContact CD2-CE1 4.41Å; L726-F730 HydrophobicContact CD2-CZ 4.43Å; L726-F730 WeakPolarHBondContact O-CB 3.39Å; L726-F730 VanDerWaalsContact O-CD1 3.32Å; L726-F730 WeakPolarHBondContact O-CD1 3.32Å; L726-F730 VanDerWaalsContact O-CD2 3.32Å; L726-F730 WeakPolarHBondContact O-CD2 3.49Å; L726-F730 WeakPolarHBondContact O-CG 3.37Å; L726-F730 PolarHBondContact O-N 2.89Å; L727-F730 HydrophobicContact CD2-CD2 3.93Å; L727-F730 HydrophobicContact CD2-CE2 4.2Å; L727-F730 PolarHBondContact O-N 3.38Å; E728-F730 VanDerWaalsContact C-N 3.33Å; E728-F730 PolarHBondContact O-N 3.35Å
731	K	86.7	Confident	87.7	Confident	183 Å²	183	52.8 Å²	52.8	80%	0.796	27%	0.266	S	S	*	.	H	α-helix	trans	-71.7	-44.7	-179.9	-176.5	-177.3	177.6	-173.5	0	111.7	L727 E728 C729 K733	L727-K731 WeakPolarHBondContact O-CB 3.39Å; L727-K731 PolarHBondContact O-N 3.39Å; E728-K731 PolarHBondContact O-N 3.17Å; C729-K731 PolarHBondContact O-N 3.42Å; K731-K733 VanDerWaalsContact C-N 3.3Å
732	T	83.3	Confident	87.5	Confident	70 Å²	70	53 Å²	53	43%	0.429	27%	0.267	S	S	.	.	H	α-helix	trans	-79.8	-14.7	-179	58.4	0	0	0	0	112.8	E728 C729 S734 V736	E728-T732 WeakPolarHBondContact O-CB 2.94Å; E728-T732 WeakPolarHBondContact O-CG2 3.44Å; E728-T732 PolarHBondContact O-N 3.36Å; E728-T732 PolarHBondContact O-OG1 3.42Å; C729-T732 PolarHBondContact O-OG1 2.78Å; T732-S734 WeakPolarHBondContact CB-OG 3.35Å; T732-S734 PolarHBondContact O-N 3.04Å; T732-S734 PolarHBondContact OG1-OG 3.39Å; T732-S734 VanDerWaalsContact OG1-OG 3.05Å; T732-V736 HydrophobicContact CG2-CG2 4.45Å; T732-V736 WeakPolarHBondContact OG1-CG2 3.47Å
733	K	82.4	Confident	87.3	Confident	168 Å²	168	49.9 Å²	49.9	73%	0.73	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	38.2	-171.4	-58.8	-176.6	178.4	-177.4	0	111.8	I658 C729 K731	I658-K733 HydrophobicContact CD1-CB 4.22Å; I658-K733 WeakPolarHBondContact CD1-O 3.44Å; C729-K733 WeakPolarHBondContact O-CA 3.27Å; C729-K733 PolarHBondContact O-N 3.42Å; K731-K733 VanDerWaalsContact C-N 3.3Å
734	S	84.6	Confident	87.1	Confident	54 Å²	54	51.3 Å²	51.3	38%	0.378	26%	0.262	S	S	.	.	S	Bend	trans	-145.5	157.8	-179.9	69.3	0	0	0	0	110.4	C729 T732 V736	C729-S734 WeakPolarHBondContact CA-O 3.28Å; C729-S734 PolarHBondContact O-N 2.83Å; T732-S734 WeakPolarHBondContact CB-OG 3.35Å; T732-S734 PolarHBondContact O-N 3.04Å; T732-S734 PolarHBondContact OG1-OG 3.39Å; T732-S734 VanDerWaalsContact OG1-OG 3.05Å; S734-V736 PolarHBondContact O-N 3.2Å
735	F	85.1	Confident	87.3	Confident	82 Å²	82	50.6 Å²	50.6	36%	0.36	25%	0.25	S	C	.	.			trans	-77.3	102.8	175.3	-164.6	-80.1	0	0	0	109.3	I658 F659 Y698 W725	I658-F735 HydrophobicContact CG2-CB 4.18Å; F659-F735 AromaticContact CD1-CD2 3.7Å; F659-F735 HydrophobicContact CD1-CD2 3.7Å; F659-F735 AromaticContact CD1-CE2 3.82Å; F659-F735 HydrophobicContact CD1-CE2 3.82Å; F659-F735 AromaticContact CE1-CD2 3.57Å; F659-F735 HydrophobicContact CE1-CD2 3.57Å; F659-F735 AromaticContact CE1-CE2 3.76Å; F659-F735 HydrophobicContact CE1-CE2 3.76Å; Y698-F735 AromaticContact CE1-CZ 3.77Å; Y698-F735 HydrophobicContact CE1-CZ 3.77Å; Y698-F735 AromaticContact CZ-CZ 3.81Å; W725-F735 HydrophobicContact CH2-CE2 4.34Å; W725-F735 HydrophobicContact CH2-CZ 4.25Å; W725-F735 HydrophobicContact CZ2-CE1 4.22Å; W725-F735 HydrophobicContact CZ2-CE2 4.25Å; W725-F735 AromaticContact CZ2-CZ 3.93Å; W725-F735 HydrophobicContact CZ2-CZ 3.93Å
736	V	87.4	Confident	87.2	Confident	15 Å²	15	53 Å²	53	9%	0.091	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-80.6	129.4	-177.4	-177.8	0	0	0	0	109.4	W725 E728 T732 S734	W725-V736 PolarHBondContact NE1-O 3.08Å; E728-V736 HydrophobicContact CG-CG2 4.4Å; T732-V736 HydrophobicContact CG2-CG2 4.45Å; T732-V736 WeakPolarHBondContact OG1-CG2 3.47Å; S734-V736 PolarHBondContact O-N 3.2Å
737	P	85.9	Confident	87.2	Confident	95 Å²	95	53.5 Å²	53.5	62%	0.617	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-57	147	174	-25	34.3	0	0	0	112.4
738	W	90.1	Very high	87.1	Confident	32 Å²	32	54 Å²	54	12%	0.121	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-67.8	144.9	175.1	-70.4	-16.8	0	0	0	111.4	Y698 C699 D719 V721 W725 M743 T750 F754	Y698-W738 HydrophobicContact CD1-CH2 4.29Å; Y698-W738 AromaticContact CD1-CZ2 3.8Å; Y698-W738 HydrophobicContact CD1-CZ2 3.8Å; Y698-W738 AromaticContact CE1-CE2 3.8Å; Y698-W738 AromaticContact CE1-CH2 3.78Å; Y698-W738 HydrophobicContact CE1-CH2 3.78Å; Y698-W738 AromaticContact CE1-CZ2 3.14Å; Y698-W738 HydrophobicContact CE1-CZ2 3.14Å; Y698-W738 HydrophobicContact CE2-CH2 4.37Å; Y698-W738 HydrophobicContact CE2-CZ2 4.5Å; Y698-W738 AromaticContact CZ-CH2 3.8Å; Y698-W738 AromaticContact CZ-CZ2 3.55Å; C699-W738 HydrophobicContact CB-CH2 3.79Å; C699-W738 HydrophobicContact CB-CZ2 3.51Å; D719-W738 HydrophobicContact CB-CH2 3.97Å; D719-W738 HydrophobicContact CB-CZ3 3.95Å; V721-W738 HydrophobicContact CG2-CH2 4.49Å; V721-W738 HydrophobicContact CG2-CZ2 3.93Å; W725-W738 AromaticContact CD1-CD1 3.8Å; W725-W738 AromaticContact CD2-CD1 3.9Å; W725-W738 AromaticContact CD2-NE1 3.69Å; W725-W738 AromaticContact CE2-CD1 3.47Å; W725-W738 VanDerWaalsContact CE2-CD1 3.47Å; W725-W738 AromaticContact CE2-NE1 3.36Å; W725-W738 AromaticContact CH2-NE1 3.84Å; W725-W738 AromaticContact CZ2-CD1 3.92Å; W725-W738 AromaticContact CZ2-NE1 3.44Å; W725-W738 AromaticContact NE1-CD1 3.39Å; W725-W738 AromaticContact NE1-NE1 3.81Å; W738-M743 HydrophobicContact CB-SD 4.31Å; W738-M743 HydrophobicContact CD2-CE 4.32Å; W738-M743 HydrophobicContact CD2-SD 4.25Å; W738-M743 HydrophobicContact CE3-CE 3.91Å; W738-M743 HydrophobicContact CE3-SD 4.39Å; W738-M743 HydrophobicContact CG-SD 4.25Å; W738-M743 HydrophobicContact CZ3-CE 4.23Å; W738-T750 HydrophobicContact CE3-CG2 4.25Å; W738-T750 HydrophobicContact CZ3-CG2 4.35Å; W738-F754 HydrophobicContact CB-CE2 4.39Å; W738-F754 HydrophobicContact CB-CZ 3.69Å
739	Q	86.1	Confident	87.1	Confident	54 Å²	54	55.2 Å²	55.2	25%	0.252	29%	0.286	S	S	.	.			trans	-133.8	152.4	176.2	-65.9	-175.9	-8.1	0	0	108.5	R741 F742	Q739-R741 HydrophobicContact CB-CG 4.04Å; Q739-R741 PolarHBondContact O-N 3.34Å; Q739-R741 VanDerWaalsContact OE1-CZ 3.25Å; Q739-F742 HydrophobicContact CB-CD2 3.93Å; Q739-F742 HydrophobicContact CB-CE2 4.12Å; Q739-F742 HydrophobicContact CG-CE2 4.37Å; Q739-F742 WeakPolarHBondContact O-CB 3.31Å; Q739-F742 PolarHBondContact O-N 2.83Å
740	P	85.1	Confident	87.1	Confident	27 Å²	27	56.1 Å²	56.1	18%	0.175	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-52	-36.2	-176.4	-26.9	30.5	0	0	0	113.5	F742 M743 F754 Y758	P740-F742 PolarHBondContact O-N 3.25Å; P740-F742 VanDerWaalsContact O-N 3.12Å; P740-M743 PolarHBondContact O-N 3.21Å; P740-F754 HydrophobicContact CB-CD1 4.38Å; P740-F754 HydrophobicContact CB-CE1 4.49Å; P740-F754 HydrophobicContact CG-CD1 3.76Å; P740-F754 HydrophobicContact CG-CE1 3.98Å; P740-Y758 HydrophobicContact CG-CD1 3.59Å; P740-Y758 HydrophobicContact CG-CD2 3.73Å; P740-Y758 HydrophobicContact CG-CE1 4.08Å; P740-Y758 HydrophobicContact CG-CE2 4.21Å; P740-Y758 HydrophobicContact CG-CG 3.4Å; P740-Y758 VanDerWaalsContact CG-CG 3.4Å
741	R	83.3	Confident	87.2	Confident	72 Å²	72	61.9 Å²	61.9	27%	0.272	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-55.8	-29	177.1	62.9	175.2	169.4	111.5	4.2	114.2	K722 E728 Q739	K722-R741 WeakPolarHBondContact CD-O 3.3Å; K722-R741 WeakPolarHBondContact CE-O 3.33Å; K722-R741 PolarHBondContact NZ-O 3.12Å; E728-R741 IonicContact OE1-CZ 3.69Å; E728-R741 IonicContact OE1-NH1 2.81Å; E728-R741 IonicContact OE1-NH2 2.71Å; E728-R741 PolarHBondContact OE1-NH2 3.33Å; E728-R741 IonicContact OE2-CZ 2.75Å; E728-R741 IonicContact OE2-NH1 3.73Å; E728-R741 PolarHBondContact OE2-NH1 2.94Å; E728-R741 IonicContact OE2-NH2 3.99Å; E728-R741 PolarHBondContact OE2-NH2 2.92Å; Q739-R741 HydrophobicContact CB-CG 4.04Å; Q739-R741 PolarHBondContact O-N 3.34Å; Q739-R741 VanDerWaalsContact OE1-CZ 3.25Å
742	F	89.8	Confident	87.2	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.018	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-85.7	-14.3	179.2	-60	-49.7	0	0	0	113.7	V721 K722 A724 W725 E728 Q739 P740	V721-F742 CarbonylContact C-O 3.56Å; V721-F742 HydrophobicContact CG1-CB 4.09Å; K722-F742 WeakPolarHBondContact CB-O 3.38Å; K722-F742 WeakPolarHBondContact CG-O 3.27Å; K722-F742 PolarHBondContact N-O 2.86Å; A724-F742 HydrophobicContact CB-CD1 4.41Å; W725-F742 HydrophobicContact CB-CB 3.91Å; W725-F742 HydrophobicContact CB-CD1 3.74Å; W725-F742 HydrophobicContact CB-CD2 4.07Å; W725-F742 HydrophobicContact CB-CE1 4.17Å; W725-F742 HydrophobicContact CB-CE2 4.48Å; W725-F742 HydrophobicContact CB-CG 3.66Å; W725-F742 HydrophobicContact CB-CZ 4.49Å; W725-F742 AromaticContact CD1-CD2 3.73Å; W725-F742 AromaticContact CD1-CE2 3.83Å; W725-F742 HydrophobicContact CG-CD2 4.23Å; W725-F742 HydrophobicContact CG-CG 4.28Å; E728-F742 VanDerWaalsContact OE2-CZ 3.23Å; E728-F742 WeakPolarHBondContact OE2-CZ 3.38Å; Q739-F742 HydrophobicContact CB-CD2 3.93Å; Q739-F742 HydrophobicContact CB-CE2 4.12Å; Q739-F742 HydrophobicContact CG-CE2 4.37Å; Q739-F742 WeakPolarHBondContact O-CB 3.31Å; Q739-F742 PolarHBondContact O-N 2.83Å; P740-F742 PolarHBondContact O-N 3.25Å; P740-F742 VanDerWaalsContact O-N 3.12Å
743	M	89	Confident	87.4	Confident	17 Å²	17	60.5 Å²	60.5	8%	0.084	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.4	-171.3	-53.5	-52.5	-79.9	0	0	111.1	D719 V721 W738 P740 M746 T750 F754	D719-M743 HydrophobicContact CB-CE 3.85Å; V721-M743 HydrophobicContact CG1-SD 4.36Å; V721-M743 HydrophobicContact CG2-CE 3.98Å; V721-M743 HydrophobicContact CG2-SD 3.91Å; W738-M743 HydrophobicContact CB-SD 4.31Å; W738-M743 HydrophobicContact CD2-CE 4.32Å; W738-M743 HydrophobicContact CD2-SD 4.25Å; W738-M743 HydrophobicContact CE3-CE 3.91Å; W738-M743 HydrophobicContact CE3-SD 4.39Å; W738-M743 HydrophobicContact CG-SD 4.25Å; W738-M743 HydrophobicContact CZ3-CE 4.23Å; P740-M743 PolarHBondContact O-N 3.21Å; M743-M746 HydrophobicContact CB-CG 3.8Å; M743-M746 HydrophobicContact CB-SD 4.25Å; M743-M746 HydrophobicContact CE-CG 3.86Å; M743-M746 HydrophobicContact CG-CG 3.89Å; M743-M746 HydrophobicContact CG-SD 4.1Å; M743-T750 HydrophobicContact CE-CG2 4.25Å; M743-F754 HydrophobicContact CG-CE1 3.99Å
744	I	87.6	Confident	87.6	Confident	35 Å²	35	53.1 Å²	53.1	18%	0.179	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-37.9	167.9	-65.8	179.6	0	0	0	110	A702 K705 I713 V720 K722	A702-I744 HydrophobicContact CB-CD1 4.22Å; A702-I744 WeakPolarHBondContact O-CD1 3.49Å; K705-I744 HydrophobicContact CD-CG2 4.46Å; K705-I744 HydrophobicContact CG-CG2 4.32Å; I713-I744 HydrophobicContact CD1-CG2 3.96Å; V720-I744 HydrophobicContact CB-CB 4.19Å; V720-I744 HydrophobicContact CG1-CB 3.97Å; V720-I744 HydrophobicContact CG1-CD1 4.32Å; V720-I744 HydrophobicContact CG1-CG2 4.2Å; V720-I744 WeakPolarHBondContact O-CA 3.48Å; V720-I744 WeakPolarHBondContact O-CB 3.44Å; V720-I744 PolarHBondContact O-N 2.92Å; K722-I744 HydrophobicContact CG-CD1 3.85Å; K722-I744 HydrophobicContact CG-CG1 3.51Å
745	H	91.3	Very high	87.7	Confident	32 Å²	32	53.6 Å²	53.6	15%	0.148	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	138.2	176.3	172.4	68.6	0	0	0	108.9	I713 N716 V720	I713-H745 HydrophobicContact CB-CB 4.37Å; I713-H745 HydrophobicContact CD1-CB 4.17Å; I713-H745 HydrophobicContact CG1-CB 3.67Å; I713-H745 HydrophobicContact CG2-CB 4.13Å; I713-H745 PolarHBondContact O-NE2 3.43Å; N716-H745 PolarHBondContact OD1-CE1 3.26Å; N716-H745 PolarHBondContact OD1-NE2 2.78Å; V720-H745 HydrophobicContact CB-CB 4.05Å; V720-H745 HydrophobicContact CG2-CB 4.12Å; V720-H745 PolarHBondContact N-O 3.5Å; V720-H745 PolarHBondContact O-N 3.23Å
746	M	91.4	Very high	87.8	Confident	51 Å²	51	58.2 Å²	58.2	25%	0.251	30%	0.298	S	S	.	.			trans	-113.5	131.6	175.9	-65.1	175.9	-80.9	0	0	108.6	D719 M743 T750 K751 F754	D719-M746 VanDerWaalsContact OD1-CA 3.23Å; D719-M746 WeakPolarHBondContact OD1-CA 3.4Å; M743-M746 HydrophobicContact CB-CG 3.8Å; M743-M746 HydrophobicContact CB-SD 4.25Å; M743-M746 HydrophobicContact CE-CG 3.86Å; M743-M746 HydrophobicContact CG-CG 3.89Å; M743-M746 HydrophobicContact CG-SD 4.1Å; M746-T750 HydrophobicContact CB-CG2 4.42Å; M746-T750 HydrophobicContact CG-CG2 4.3Å; M746-K751 HydrophobicContact CB-CB 4.06Å; M746-F754 HydrophobicContact SD-CB 4.17Å; M746-F754 HydrophobicContact SD-CD1 3.55Å; M746-F754 VanDerWaalsContact SD-CD1 3.55Å; M746-F754 HydrophobicContact SD-CE1 4.13Å; M746-F754 HydrophobicContact SD-CG 3.93Å
747	C	89.5	Confident	87.7	Confident	10 Å²	10	61 Å²	61	7%	0.068	31%	0.311	C	S	.	.			trans	-68.8	166.2	169.5	74.3	0	0	0	0	110.3	D719 S749 T750 K751	D719-C747 PolarHBondContact OD1-N 3.21Å; D719-C747 PolarHBondContact OD1-SG 3.31Å; D719-C747 VanDerWaalsContact OD1-SG 3.42Å; D719-C747 PolarHBondContact OD2-SG 2.82Å; D719-C747 VanDerWaalsContact OD2-SG 3.35Å; C747-S749 PolarHBondContact O-N 2.82Å; C747-S749 PolarHBondContact SG-OG 2.53Å; C747-T750 PolarHBondContact O-N 3.49Å; C747-T750 PolarHBondContact SG-OG1 2.81Å; C747-T750 VanDerWaalsContact SG-OG1 3.35Å; C747-K751 VanDerWaalsContact O-CB 3.3Å; C747-K751 WeakPolarHBondContact O-CB 3.4Å; C747-K751 PolarHBondContact O-N 3.15Å
748	P	87.8	Confident	87.7	Confident	64 Å²	64	58.2 Å²	58.2	42%	0.416	29%	0.288	S	S	.	.	H	α-helix	trans	-54.5	-44.2	-173.2	-28.9	36.8	0	0	0	114.7	N716 K751 E752	N716-P748 VanDerWaalsContact ND2-CG 3.32Å; N716-P748 WeakPolarHBondContact ND2-CG 3.33Å; P748-K751 PolarHBondContact O-N 3.44Å; P748-E752 WeakPolarHBondContact O-CG 3.46Å; P748-E752 PolarHBondContact O-N 3.47Å
749	S	87.5	Confident	87.4	Confident	82 Å²	82	58.9 Å²	58.9	57%	0.573	29%	0.294	S	S	*	.	H	α-helix	trans	-65.4	-46.7	-179.4	47.3	0	0	0	0	112.4	C747 K751 E752 H753	C747-S749 PolarHBondContact O-N 2.82Å; C747-S749 PolarHBondContact SG-OG 2.53Å; S749-K751 VanDerWaalsContact C-N 3.3Å; S749-K751 PolarHBondContact O-N 3.33Å; S749-E752 PolarHBondContact O-N 3.09Å; S749-H753 PolarHBondContact O-N 2.71Å
750	T	88.4	Confident	86.9	Confident	20 Å²	20	61.6 Å²	61.6	12%	0.123	32%	0.318	C	S	.	.	H	α-helix	trans	-65.8	-37.2	178.6	-55.8	0	0	0	0	110.7	D719 W738 M743 M746 C747 H753 F754	D719-T750 WeakPolarHBondContact OD1-CB 3.47Å; D719-T750 PolarHBondContact OD1-OG1 3.25Å; D719-T750 PolarHBondContact OD2-OG1 3.4Å; W738-T750 HydrophobicContact CE3-CG2 4.25Å; W738-T750 HydrophobicContact CZ3-CG2 4.35Å; M743-T750 HydrophobicContact CE-CG2 4.25Å; M746-T750 HydrophobicContact CB-CG2 4.42Å; M746-T750 HydrophobicContact CG-CG2 4.3Å; C747-T750 PolarHBondContact O-N 3.49Å; C747-T750 PolarHBondContact SG-OG1 2.81Å; C747-T750 VanDerWaalsContact SG-OG1 3.35Å; T750-H753 PolarHBondContact O-N 3.02Å; T750-F754 HydrophobicContact CG2-CD2 4.13Å; T750-F754 HydrophobicContact CG2-CE2 4.07Å; T750-F754 WeakPolarHBondContact O-CB 3.48Å; T750-F754 WeakPolarHBondContact O-CD2 3.46Å; T750-F754 PolarHBondContact O-N 2.95Å
751	K	88.2	Confident	86.6	Confident	133 Å²	133	66.4 Å²	66.4	58%	0.578	33%	0.333	S	S	*	.	H	α-helix	trans	-65.4	-41.7	175.5	-168.8	179.2	-179.4	-175	0	112.4	M746 C747 P748 S749 A755	M746-K751 HydrophobicContact CB-CB 4.06Å; C747-K751 VanDerWaalsContact O-CB 3.3Å; C747-K751 WeakPolarHBondContact O-CB 3.4Å; C747-K751 PolarHBondContact O-N 3.15Å; P748-K751 PolarHBondContact O-N 3.44Å; S749-K751 VanDerWaalsContact C-N 3.3Å; S749-K751 PolarHBondContact O-N 3.33Å; K751-A755 WeakPolarHBondContact O-CB 3.35Å; K751-A755 PolarHBondContact O-N 3.23Å
752	E	87.3	Confident	86.5	Confident	130 Å²	130	64 Å²	64	61%	0.607	33%	0.331	S	S	*	.	H	α-helix	trans	-65.2	-39.1	174.8	-79.7	178.3	-166.2	0	0	112.2	P748 S749	P748-E752 WeakPolarHBondContact O-CG 3.46Å; P748-E752 PolarHBondContact O-N 3.47Å; S749-E752 PolarHBondContact O-N 3.09Å
753	H	86.9	Confident	86.1	Confident	93 Å²	93	66.1 Å²	66.1	43%	0.431	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-49	175.2	178.5	42.2	0	0	0	111.2	S749 T750 A755 R756 E757	S749-H753 PolarHBondContact O-N 2.71Å; T750-H753 PolarHBondContact O-N 3.02Å; H753-A755 VanDerWaalsContact C-N 3.31Å; H753-A755 PolarHBondContact O-N 3.4Å; H753-R756 WeakPolarHBondContact O-CB 3.31Å; H753-R756 PolarHBondContact O-N 2.85Å; H753-R756 VanDerWaalsContact O-N 3.13Å; H753-E757 IonicContact CE1-OE1 3.76Å; H753-E757 PolarHBondContact CE1-OE1 3.25Å
754	F	88.1	Confident	85.9	Confident	14 Å²	14	66.4 Å²	66.4	6%	0.061	35%	0.346	C	S	.	.	H	α-helix	trans	-64.6	-35.3	-179.5	-86.4	-138.4	0	0	0	112.3	W738 P740 M743 M746 T750 R756 E757 Y758	W738-F754 HydrophobicContact CB-CE2 4.39Å; W738-F754 HydrophobicContact CB-CZ 3.69Å; P740-F754 HydrophobicContact CB-CD1 4.38Å; P740-F754 HydrophobicContact CB-CE1 4.49Å; P740-F754 HydrophobicContact CG-CD1 3.76Å; P740-F754 HydrophobicContact CG-CE1 3.98Å; M743-F754 HydrophobicContact CG-CE1 3.99Å; M746-F754 HydrophobicContact SD-CB 4.17Å; M746-F754 HydrophobicContact SD-CD1 3.55Å; M746-F754 VanDerWaalsContact SD-CD1 3.55Å; M746-F754 HydrophobicContact SD-CE1 4.13Å; M746-F754 HydrophobicContact SD-CG 3.93Å; T750-F754 HydrophobicContact CG2-CD2 4.13Å; T750-F754 HydrophobicContact CG2-CE2 4.07Å; T750-F754 WeakPolarHBondContact O-CB 3.48Å; T750-F754 WeakPolarHBondContact O-CD2 3.46Å; T750-F754 PolarHBondContact O-N 2.95Å; F754-R756 PolarHBondContact O-N 2.95Å; F754-R756 VanDerWaalsContact O-N 3.08Å; F754-E757 PolarHBondContact O-N 3.16Å; F754-Y758 HydrophobicContact CD1-CD2 4.3Å; F754-Y758 HydrophobicContact CG-CD2 4.4Å; F754-Y758 PolarHBondContact O-N 3.14Å
755	A	86.3	Confident	85.6	Confident	64 Å²	64	71.3 Å²	71.3	53%	0.529	36%	0.363	S	S	.	.	H	α-helix	trans	-63.4	-13.5	177.3	0	0	0	0	0	114.1	K751 H753	K751-A755 WeakPolarHBondContact O-CB 3.35Å; K751-A755 PolarHBondContact O-N 3.23Å; H753-A755 VanDerWaalsContact C-N 3.31Å; H753-A755 PolarHBondContact O-N 3.4Å
756	R	87.4	Confident	85.1	Confident	178 Å²	178	77.3 Å²	77.3	67%	0.672	39%	0.389	S	S	*	.	H	α-helix	trans	-85.3	-24.7	173.9	-62	176.7	-174.2	-176.2	1.4	112.8	H753 F754 F766	H753-R756 WeakPolarHBondContact O-CB 3.31Å; H753-R756 PolarHBondContact O-N 2.85Å; H753-R756 VanDerWaalsContact O-N 3.13Å; F754-R756 PolarHBondContact O-N 2.95Å; F754-R756 VanDerWaalsContact O-N 3.08Å; R756-F766 WeakPolarHBondContact O-CE2 3.32Å
757	E	85	Confident	84.6	Confident	75 Å²	75	79.4 Å²	79.4	35%	0.35	41%	0.405	S	S	.	.	H	α-helix	trans	-112.8	-25.2	-171.3	-64.8	-175.5	-171.9	0	0	113.1	H753 F754 Y765 F766	H753-E757 IonicContact CE1-OE1 3.76Å; H753-E757 PolarHBondContact CE1-OE1 3.25Å; F754-E757 PolarHBondContact O-N 3.16Å; E757-Y765 VanDerWaalsContact C-CD2 3.5Å; E757-Y765 PolarHBondContact O-N 2.93Å; E757-F766 HydrophobicContact CB-CE2 4.5Å; E757-F766 HydrophobicContact CG-CE2 4.33Å
758	Y	86.1	Confident	84.1	Confident	35 Å²	35	86.7 Å²	86.7	14%	0.137	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-131	150	-176.8	-58.3	-87.6	0	0	0	111.3	P740 F754 D763 Y765	P740-Y758 HydrophobicContact CG-CD1 3.59Å; P740-Y758 HydrophobicContact CG-CD2 3.73Å; P740-Y758 HydrophobicContact CG-CE1 4.08Å; P740-Y758 HydrophobicContact CG-CE2 4.21Å; P740-Y758 HydrophobicContact CG-CG 3.4Å; P740-Y758 VanDerWaalsContact CG-CG 3.4Å; F754-Y758 HydrophobicContact CD1-CD2 4.3Å; F754-Y758 HydrophobicContact CG-CD2 4.4Å; F754-Y758 PolarHBondContact O-N 3.14Å; Y758-D763 CarbonylContact C-O 3.56Å; Y758-D763 WeakPolarHBondContact CA-O 3.47Å; Y758-Y765 VanDerWaalsContact C-CE2 3.44Å; Y758-Y765 WeakPolarHBondContact O-CE2 3.33Å
759	D	82.8	Confident	83.6	Confident	46 Å²	46	85.5 Å²	85.5	25%	0.246	44%	0.435	C	S	.	.			trans	-74	-179.6	171.5	83.9	-4.8	0	0	0	112.8	Y761 G762 D763 Y765	D759-Y761 PolarHBondContact O-N 3.14Å; D759-Y761 WeakPolarHBondContact OD1-CA 3.27Å; D759-Y761 PolarHBondContact OD1-N 3.48Å; D759-G762 PolarHBondContact O-N 3.26Å; D759-G762 PolarHBondContact OD1-N 3.47Å; D759-D763 PolarHBondContact N-O 3.27Å; D759-D763 PolarHBondContact OD1-N 2.85Å; D759-Y765 WeakPolarHBondContact CA-OH 3.47Å; D759-Y765 HydrophobicContact CB-CE1 3.78Å
760	C	76.3	Confident	83.3	Confident	112 Å²	112	85.3 Å²	85.3	76%	0.757	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-9.8	-178.5	61	0	0	0	0	114.3
761	Y	79.8	Confident	82.7	Confident	127 Å²	127	90 Å²	90	50%	0.498	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-7.4	177.6	-57	-64.8	0	0	0	112.7	D759 I781	D759-Y761 PolarHBondContact O-N 3.14Å; D759-Y761 WeakPolarHBondContact OD1-CA 3.27Å; D759-Y761 PolarHBondContact OD1-N 3.48Å; Y761-I781 HydrophobicContact CD1-CB 4.45Å; Y761-I781 HydrophobicContact CD1-CD1 4.06Å; Y761-I781 HydrophobicContact CD1-CG1 3.64Å; Y761-I781 HydrophobicContact CD1-CG2 4.43Å; Y761-I781 HydrophobicContact CD2-CD1 4.35Å; Y761-I781 HydrophobicContact CE1-CD1 4.38Å; Y761-I781 HydrophobicContact CE1-CG1 4.11Å; Y761-I781 HydrophobicContact CE1-CG2 4.05Å; Y761-I781 HydrophobicContact CG-CD1 4.03Å; Y761-I781 HydrophobicContact CG-CG1 4.01Å
762	G	79.5	Confident	82.2	Confident	21 Å²	21	89.1 Å²	89.1	22%	0.216	45%	0.452	C	S	.	.	S	Bend	trans	95.6	15.5	176.2	0	0	0	0	0	114.4	D759	D759-G762 PolarHBondContact O-N 3.26Å; D759-G762 PolarHBondContact OD1-N 3.47Å
763	D	82.8	Confident	81.5	Confident	49 Å²	49	86.2 Å²	86.2	26%	0.262	44%	0.439	S	S	.	.			trans	-82.9	140.9	172.5	-164.5	18.7	0	0	0	110.8	Y758 D759 T769	Y758-D763 CarbonylContact C-O 3.56Å; Y758-D763 WeakPolarHBondContact CA-O 3.47Å; D759-D763 PolarHBondContact N-O 3.27Å; D759-D763 PolarHBondContact OD1-N 2.85Å; D763-T769 PolarHBondContact OD1-OG1 2.72Å
764	S	83.2	Confident	81.1	Confident	24 Å²	24	84.8 Å²	84.8	17%	0.168	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-81.4	137.6	-174.2	-178.2	0	0	0	0	111.3	F766 V767	S764-F766 VanDerWaalsContact C-N 3.27Å; S764-F766 PolarHBondContact O-N 3.46Å; S764-F766 PolarHBondContact OG-N 3.4Å; S764-V767 PolarHBondContact OG-N 3.04Å
765	Y	81.6	Confident	80.7	Confident	138 Å²	138	90.3 Å²	90.3	54%	0.541	46%	0.458	S	S	.	.	S	Bend	trans	-75	-17.3	172.3	-63.8	-49.8	0	0	0	113.6	E757 Y758 D759	E757-Y765 VanDerWaalsContact C-CD2 3.5Å; E757-Y765 PolarHBondContact O-N 2.93Å; Y758-Y765 VanDerWaalsContact C-CE2 3.44Å; Y758-Y765 WeakPolarHBondContact O-CE2 3.33Å; D759-Y765 WeakPolarHBondContact CA-OH 3.47Å; D759-Y765 HydrophobicContact CB-CE1 3.78Å
766	F	81.9	Confident	80.2	Confident	158 Å²	158	91.5 Å²	91.5	69%	0.693	45%	0.453	S	S	*	.	S	Bend	trans	-124.4	-5.7	-165.1	-55.9	-65.9	0	0	0	114.5	R756 E757 S764	R756-F766 WeakPolarHBondContact O-CE2 3.32Å; E757-F766 HydrophobicContact CB-CE2 4.5Å; E757-F766 HydrophobicContact CG-CE2 4.33Å; S764-F766 VanDerWaalsContact C-N 3.27Å; S764-F766 PolarHBondContact O-N 3.46Å; S764-F766 PolarHBondContact OG-N 3.4Å
767	V	81	Confident	79.7	Confident	95 Å²	95	84.1 Å²	84.1	58%	0.576	43%	0.428	S	S	*	.	S	Bend	trans	-130.1	130.8	-175	-177.5	0	0	0	0	109.1	S764 T769	S764-V767 PolarHBondContact OG-N 3.04Å; V767-T769 PolarHBondContact O-N 3.35Å
768	D	77.4	Confident	79.4	Confident	162 Å²	162	87 Å²	87	87%	0.866	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-62.2	129.3	177.6	-67.5	-27.1	0	0	0	111.2
769	T	77.4	Confident	78.9	Confident	40 Å²	40	90 Å²	90	25%	0.245	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-90.3	133.8	-176	-63	0	0	0	0	111.6	D763 V767 Q773 L774	D763-T769 PolarHBondContact OD1-OG1 2.72Å; V767-T769 PolarHBondContact O-N 3.35Å; T769-Q773 HydrophobicContact CG2-CB 3.5Å; T769-Q773 VanDerWaalsContact CG2-CB 3.5Å; T769-L774 HydrophobicContact CG2-CB 4.36Å; T769-L774 HydrophobicContact CG2-CD1 4.23Å; T769-L774 HydrophobicContact CG2-CG 3.69Å
770	D	81.1	Confident	78	Confident	77 Å²	77	90.4 Å²	90.4	41%	0.412	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-87.5	167.4	176.7	76.1	46.8	0	0	0	113.3	N772 Q773 L774	D770-N772 PolarHBondContact O-N 3.4Å; D770-N772 WeakPolarHBondContact OD1-CA 3.29Å; D770-N772 WeakPolarHBondContact OD1-CB 3.49Å; D770-N772 PolarHBondContact OD1-N 2.73Å; D770-Q773 VanDerWaalsContact N-OE1 3.1Å; D770-Q773 PolarHBondContact O-N 3.47Å; D770-Q773 PolarHBondContact OD1-N 3.1Å; D770-L774 WeakPolarHBondContact O-CB 3.38Å; D770-L774 PolarHBondContact O-N 3.34Å
771	L	77.1	Confident	77.9	Confident	119 Å²	119	87.7 Å²	87.7	62%	0.623	46%	0.458	S	S	*	.	H	α-helix	trans	-58.7	-30.9	-177	-169.2	110	0	0	0	113.5	K775	L771-K775 HydrophobicContact CD2-CD 4.49Å; L771-K775 VanDerWaalsContact O-CG 3.3Å; L771-K775 WeakPolarHBondContact O-CG 3.5Å; L771-K775 PolarHBondContact O-N 3.3Å
772	N	76.4	Confident	76.9	Confident	114 Å²	114	90 Å²	90	61%	0.61	47%	0.471	S	S	*	.	H	α-helix	trans	-78.9	-40.9	179.5	-65.6	-39.4	0	0	0	110.9	D770 K775 E776	D770-N772 PolarHBondContact O-N 3.4Å; D770-N772 WeakPolarHBondContact OD1-CA 3.29Å; D770-N772 WeakPolarHBondContact OD1-CB 3.49Å; D770-N772 PolarHBondContact OD1-N 2.73Å; N772-K775 PolarHBondContact O-N 2.76Å; N772-E776 PolarHBondContact O-N 3.27Å
773	Q	74.6	Confident	75.5	Confident	70 Å²	70	97 Å²	97	33%	0.327	50%	0.503	S	S	.	.	H	α-helix	trans	-62.7	-43.1	174.7	-68.9	173.8	-19.9	0	0	111.3	T769 D770 K775 E776 V777	T769-Q773 HydrophobicContact CG2-CB 3.5Å; T769-Q773 VanDerWaalsContact CG2-CB 3.5Å; D770-Q773 VanDerWaalsContact N-OE1 3.1Å; D770-Q773 PolarHBondContact O-N 3.47Å; D770-Q773 PolarHBondContact OD1-N 3.1Å; Q773-K775 PolarHBondContact O-N 3.43Å; Q773-E776 WeakPolarHBondContact O-CB 3.37Å; Q773-E776 PolarHBondContact O-N 3.1Å; Q773-E776 VanDerWaalsContact O-N 3.15Å; Q773-V777 WeakPolarHBondContact O-CG2 3.37Å; Q773-V777 PolarHBondContact O-N 3.49Å
774	L	78.3	Confident	73.8	Confident	62 Å²	62	98.5 Å²	98.5	33%	0.325	52%	0.517	S	S	.	.	H	α-helix	trans	-58.1	-45.7	173.1	-93.2	153.2	0	0	0	112.3	T769 D770 E776 V777 F778	T769-L774 HydrophobicContact CG2-CB 4.36Å; T769-L774 HydrophobicContact CG2-CD1 4.23Å; T769-L774 HydrophobicContact CG2-CG 3.69Å; D770-L774 WeakPolarHBondContact O-CB 3.38Å; D770-L774 PolarHBondContact O-N 3.34Å; L774-E776 VanDerWaalsContact C-N 3.29Å; L774-E776 PolarHBondContact O-N 3.37Å; L774-V777 PolarHBondContact O-N 3.28Å; L774-F778 HydrophobicContact CB-CE2 4.48Å; L774-F778 HydrophobicContact CD2-CE1 4.43Å; L774-F778 HydrophobicContact CD2-CE2 3.72Å; L774-F778 HydrophobicContact CD2-CZ 3.66Å; L774-F778 WeakPolarHBondContact O-CB 3.48Å; L774-F778 VanDerWaalsContact O-CD2 3.27Å; L774-F778 WeakPolarHBondContact O-CD2 3.48Å; L774-F778 VanDerWaalsContact O-CG 3.29Å; L774-F778 WeakPolarHBondContact O-CG 3.39Å; L774-F778 PolarHBondContact O-N 3.05Å
775	K	79.2	Confident	71.9	Confident	130 Å²	130	105.8 Å²	105.8	57%	0.565	54%	0.542	S	S	*	.	H	α-helix	trans	-61.4	-38.9	175.9	-77.1	173	-178.9	175.9	0	112	L771 N772 Q773 S779	L771-K775 HydrophobicContact CD2-CD 4.49Å; L771-K775 VanDerWaalsContact O-CG 3.3Å; L771-K775 WeakPolarHBondContact O-CG 3.5Å; L771-K775 PolarHBondContact O-N 3.3Å; N772-K775 PolarHBondContact O-N 2.76Å; Q773-K775 PolarHBondContact O-N 3.43Å; K775-S779 WeakPolarHBondContact O-CB 3.42Å; K775-S779 PolarHBondContact O-N 3.07Å
776	E	75.6	Confident	70.3	Confident	89 Å²	89	109 Å²	109	42%	0.416	56%	0.563	S	S	.	*	H	α-helix	trans	-66.9	-49.5	177.5	-170.3	177.1	179.5	0	0	111.4	N772 Q773 L774 F778 S779 G780	N772-E776 PolarHBondContact O-N 3.27Å; Q773-E776 WeakPolarHBondContact O-CB 3.37Å; Q773-E776 PolarHBondContact O-N 3.1Å; Q773-E776 VanDerWaalsContact O-N 3.15Å; L774-E776 VanDerWaalsContact C-N 3.29Å; L774-E776 PolarHBondContact O-N 3.37Å; E776-F778 PolarHBondContact O-N 3.04Å; E776-S779 PolarHBondContact O-N 3.21Å; E776-S779 VanDerWaalsContact O-N 3.15Å; E776-S779 PolarHBondContact O-OG 2.95Å; E776-G780 PolarHBondContact O-N 3.29Å
777	V	77.6	Confident	68.7	Low	24 Å²	24	105.8 Å²	105.8	15%	0.145	55%	0.549	C	S	.	.	H	α-helix	trans	-55.1	-51.4	176	171.7	0	0	0	0	110.1	Q773 L774 S779 G780 I781	Q773-V777 WeakPolarHBondContact O-CG2 3.37Å; Q773-V777 PolarHBondContact O-N 3.49Å; L774-V777 PolarHBondContact O-N 3.28Å; V777-S779 VanDerWaalsContact C-N 3.31Å; V777-S779 PolarHBondContact O-N 2.96Å; V777-G780 WeakPolarHBondContact O-CA 3.45Å; V777-G780 PolarHBondContact O-N 3Å; V777-I781 WeakPolarHBondContact O-CG1 3.25Å; V777-I781 PolarHBondContact O-N 3.32Å
778	F	76.8	Confident	67.4	Low	135 Å²	135	104.5 Å²	104.5	59%	0.592	54%	0.542	S	S	*	.	H	α-helix	trans	-62.2	-34.1	178.7	-68.3	-30.2	0	0	0	113.6	L774 E776 G780 I781	L774-F778 HydrophobicContact CB-CE2 4.48Å; L774-F778 HydrophobicContact CD2-CE1 4.43Å; L774-F778 HydrophobicContact CD2-CE2 3.72Å; L774-F778 HydrophobicContact CD2-CZ 3.66Å; L774-F778 WeakPolarHBondContact O-CB 3.48Å; L774-F778 VanDerWaalsContact O-CD2 3.27Å; L774-F778 WeakPolarHBondContact O-CD2 3.48Å; L774-F778 VanDerWaalsContact O-CG 3.29Å; L774-F778 WeakPolarHBondContact O-CG 3.39Å; L774-F778 PolarHBondContact O-N 3.05Å; E776-F778 PolarHBondContact O-N 3.04Å; F778-G780 PolarHBondContact O-N 3.31Å; F778-I781 HydrophobicContact CD1-CD1 3.93Å; F778-I781 PolarHBondContact O-N 3.42Å
779	S	75.6	Confident	66.2	Low	97 Å²	97	102.2 Å²	102.2	68%	0.678	54%	0.536	S	S	*	.	H	α-helix	trans	-66.8	-26.1	175	78.8	0	0	0	0	113.2	K775 E776 V777	K775-S779 WeakPolarHBondContact O-CB 3.42Å; K775-S779 PolarHBondContact O-N 3.07Å; E776-S779 PolarHBondContact O-N 3.21Å; E776-S779 VanDerWaalsContact O-N 3.15Å; E776-S779 PolarHBondContact O-OG 2.95Å; V777-S779 VanDerWaalsContact C-N 3.31Å; V777-S779 PolarHBondContact O-N 2.96Å
780	G	64.5	Low	65.1	Low	56 Å²	56	107.9 Å²	107.9	58%	0.577	56%	0.56	S	S	*	*	H	α-helix	trans	-81.2	-20.2	178.1	0	0	0	0	0	114.2	E776 V777 F778 K782	E776-G780 PolarHBondContact O-N 3.29Å; V777-G780 WeakPolarHBondContact O-CA 3.45Å; V777-G780 PolarHBondContact O-N 3Å; F778-G780 PolarHBondContact O-N 3.31Å; G780-K782 VanDerWaalsContact C-N 3.3Å; G780-K782 PolarHBondContact O-N 3.32Å
781	I	75.1	Confident	63.7	Low	55 Å²	55	109.9 Å²	109.9	28%	0.282	57%	0.567	S	S	.	*			trans	-70.8	87.7	173.3	-51.9	-173.3	0	0	0	108.2	Y761 V777 F778 N783	Y761-I781 HydrophobicContact CD1-CB 4.45Å; Y761-I781 HydrophobicContact CD1-CD1 4.06Å; Y761-I781 HydrophobicContact CD1-CG1 3.64Å; Y761-I781 HydrophobicContact CD1-CG2 4.43Å; Y761-I781 HydrophobicContact CD2-CD1 4.35Å; Y761-I781 HydrophobicContact CE1-CD1 4.38Å; Y761-I781 HydrophobicContact CE1-CG1 4.11Å; Y761-I781 HydrophobicContact CE1-CG2 4.05Å; Y761-I781 HydrophobicContact CG-CD1 4.03Å; Y761-I781 HydrophobicContact CG-CG1 4.01Å; V777-I781 WeakPolarHBondContact O-CG1 3.25Å; V777-I781 PolarHBondContact O-N 3.32Å; F778-I781 HydrophobicContact CD1-CD1 3.93Å; F778-I781 PolarHBondContact O-N 3.42Å; I781-N783 PolarHBondContact O-N 2.97Å
782	K	58.5	Low	62.6	Low	176 Å²	176	106.9 Å²	106.9	77%	0.765	55%	0.55	S	S	*	*			trans	-64.1	124.2	166.6	-70.7	-174.2	177.3	-173.2	0	107.5	G780 S784	G780-K782 VanDerWaalsContact C-N 3.3Å; G780-K782 PolarHBondContact O-N 3.32Å; K782-S784 PolarHBondContact O-N 3.48Å; K782-S784 PolarHBondContact O-OG 3.1Å; K782-S784 VanDerWaalsContact O-OG 3.11Å
783	N	49.5	Very low	61.7	Low	166 Å²	166	103.7 Å²	103.7	89%	0.888	54%	0.539	S	S	*	.			trans	-51.3	86.6	166	-76	-11.1	0	0	0	108.8	I781	I781-N783 PolarHBondContact O-N 2.97Å
784	S	46.5	Very low	60.8	Low	81 Å²	81	104.8 Å²	104.8	57%	0.566	56%	0.555	S	S	*	*			trans	-95.2	127.3	169.4	32.3	0	0	0	0	103.4	K782	K782-S784 PolarHBondContact O-N 3.48Å; K782-S784 PolarHBondContact O-OG 3.1Å; K782-S784 VanDerWaalsContact O-OG 3.11Å
785	Y	44.6	Very low	59.8	Low	178 Å²	178	106.3 Å²	106.3	70%	0.698	56%	0.563	S	S	*	*			trans	89.9	92.6	-173.8	-51.4	-72.4	0	0	0	114.5	Q787	Y785-Q787 HydrophobicContact CD1-CG 4.26Å; Y785-Q787 HydrophobicContact CG-CG 4.39Å; Y785-Q787 PolarHBondContact O-N 3Å
786	E	46.8	Very low	59	Low	206 Å²	206	103 Å²	103	96%	0.963	55%	0.55	S	S	*	*			trans	-55.5	70.2	133.3	-68.2	175.7	163.5	0	0	108.6
787	Q	49.9	Very low	58.1	Low	89 Å²	89	100.9 Å²	100.9	42%	0.416	55%	0.549	S	S	.	.			trans	-111.8	122.7	163.3	-81.9	174.7	1.8	0	0	106.2	Y785 E791 M792	Y785-Q787 HydrophobicContact CD1-CG 4.26Å; Y785-Q787 HydrophobicContact CG-CG 4.39Å; Y785-Q787 PolarHBondContact O-N 3Å; Q787-E791 WeakPolarHBondContact CA-OE2 3.38Å; Q787-E791 HydrophobicContact CB-CB 4.46Å; Q787-M792 HydrophobicContact CB-CG 4Å
788	T	53.5	Low	57.1	Low	69 Å²	69	103.2 Å²	103.2	42%	0.423	56%	0.56	S	S	.	*			trans	-63.6	149.7	179	53.8	0	0	0	0	109.5	E790 E791 M792	T788-E790 PolarHBondContact O-N 3.29Å; T788-E791 PolarHBondContact N-OE2 2.84Å; T788-E791 PolarHBondContact O-N 3Å; T788-E791 VanDerWaalsContact OG1-CD 3.25Å; T788-E791 WeakPolarHBondContact OG1-CG 3.22Å; T788-E791 PolarHBondContact OG1-OE2 3.33Å; T788-M792 PolarHBondContact O-N 3.46Å
789	P	52.2	Low	56.2	Low	114 Å²	114	100.1 Å²	100.1	74%	0.74	55%	0.549	S	S	*	.	H	α-helix	trans	-51.3	-24.8	176.8	-28.5	34.9	0	0	0	114.1	A793	P789-A793 PolarHBondContact O-N 3.11Å
790	E	54.8	Low	55.5	Low	158 Å²	158	96.7 Å²	96.7	74%	0.738	52%	0.523	S	S	*	.	H	α-helix	trans	-74.3	-33.5	176.7	-69.9	169.4	151.1	0	0	113.2	T788	T788-E790 PolarHBondContact O-N 3.29Å
791	E	51.7	Low	55.1	Low	120 Å²	120	101.9 Å²	101.9	56%	0.561	53%	0.526	S	S	*	.	H	α-helix	trans	-75.5	-31.2	176.3	-70.2	166.2	143.2	0	0	111.7	Q787 T788	Q787-E791 WeakPolarHBondContact CA-OE2 3.38Å; Q787-E791 HydrophobicContact CB-CB 4.46Å; T788-E791 PolarHBondContact N-OE2 2.84Å; T788-E791 PolarHBondContact O-N 3Å; T788-E791 VanDerWaalsContact OG1-CD 3.25Å; T788-E791 WeakPolarHBondContact OG1-CG 3.22Å; T788-E791 PolarHBondContact OG1-OE2 3.33Å
792	M	53.5	Low	54.1	Low	56 Å²	56	106.4 Å²	106.4	28%	0.276	54%	0.539	S	S	.	.	H	α-helix	trans	-80.3	-19.9	177.7	-71.3	-112.3	58	0	0	113.4	Q787 T788 S794 L795 I796	Q787-M792 HydrophobicContact CB-CG 4Å; T788-M792 PolarHBondContact O-N 3.46Å; M792-S794 VanDerWaalsContact C-N 3.27Å; M792-S794 PolarHBondContact O-N 3.36Å; M792-L795 HydrophobicContact CE-CB 4.04Å; M792-L795 HydrophobicContact CE-CD2 3.4Å; M792-L795 HydrophobicContact CE-CG 4.31Å; M792-L795 PolarHBondContact O-N 3.3Å; M792-L795 VanDerWaalsContact O-N 3.08Å; M792-I796 HydrophobicContact CB-CD1 4.06Å; M792-I796 VanDerWaalsContact O-CG1 3.29Å; M792-I796 WeakPolarHBondContact O-CG1 3.35Å; M792-I796 PolarHBondContact O-N 3.25Å
793	A	57.3	Low	54.1	Low	46 Å²	46	105.3 Å²	105.3	38%	0.38	53%	0.532	S	S	.	.	H	α-helix	trans	-57.9	-36.6	-175	0	0	0	0	0	113.4	P789 A797	P789-A793 PolarHBondContact O-N 3.11Å; A793-A797 VanDerWaalsContact O-CB 3.29Å; A793-A797 WeakPolarHBondContact O-CB 3.29Å; A793-A797 PolarHBondContact O-N 3.37Å
794	S	54.3	Low	54.3	Low	94 Å²	94	101.6 Å²	101.6	66%	0.657	52%	0.519	S	S	*	.	H	α-helix	trans	-71.5	-37.2	177.5	-176.8	0	0	0	0	112.7	M792 D798	M792-S794 VanDerWaalsContact C-N 3.27Å; M792-S794 PolarHBondContact O-N 3.36Å; S794-D798 WeakPolarHBondContact O-CB 3.37Å; S794-D798 PolarHBondContact O-N 3.16Å; S794-D798 VanDerWaalsContact O-N 3.09Å
795	L	58.7	Low	54.8	Low	93 Å²	93	104.5 Å²	104.5	49%	0.487	52%	0.517	S	S	.	.	H	α-helix	trans	-73.2	-40.3	178.9	-170.1	74.9	0	0	0	110.6	M792 D798 L799	M792-L795 HydrophobicContact CE-CB 4.04Å; M792-L795 HydrophobicContact CE-CD2 3.4Å; M792-L795 HydrophobicContact CE-CG 4.31Å; M792-L795 PolarHBondContact O-N 3.3Å; M792-L795 VanDerWaalsContact O-N 3.08Å; L795-D798 PolarHBondContact O-N 2.97Å; L795-L799 HydrophobicContact CG-CD1 4.27Å; L795-L799 VanDerWaalsContact O-CG 3.3Å; L795-L799 WeakPolarHBondContact O-CG 3.34Å; L795-L799 PolarHBondContact O-N 3.34Å
796	I	61.2	Low	55.2	Low	60 Å²	60	101 Å²	101	31%	0.308	51%	0.51	S	S	.	.	H	α-helix	trans	-60.5	-50.5	173.7	-64.6	165.8	0	0	0	108.9	M792 D798 L799 E800	M792-I796 HydrophobicContact CB-CD1 4.06Å; M792-I796 VanDerWaalsContact O-CG1 3.29Å; M792-I796 WeakPolarHBondContact O-CG1 3.35Å; M792-I796 PolarHBondContact O-N 3.25Å; I796-D798 VanDerWaalsContact C-N 3.27Å; I796-D798 PolarHBondContact O-N 2.85Å; I796-L799 PolarHBondContact O-N 2.96Å; I796-L799 VanDerWaalsContact O-N 3.1Å; I796-E800 HydrophobicContact CG2-CG 4Å; I796-E800 VanDerWaalsContact CG2-OE1 3.28Å; I796-E800 WeakPolarHBondContact CG2-OE1 3.5Å; I796-E800 WeakPolarHBondContact O-CB 3.19Å; I796-E800 WeakPolarHBondContact O-CG 3.28Å; I796-E800 PolarHBondContact O-N 3.03Å
797	A	57.6	Low	55.6	Low	46 Å²	46	97 Å²	97	38%	0.38	50%	0.504	S	S	.	.	H	α-helix	trans	-57.7	-36.5	177.5	0	0	0	0	0	113.7	A793 Y801	A793-A797 VanDerWaalsContact O-CB 3.29Å; A793-A797 WeakPolarHBondContact O-CB 3.29Å; A793-A797 PolarHBondContact O-N 3.37Å; A797-Y801 WeakPolarHBondContact O-CB 2.98Å; A797-Y801 PolarHBondContact O-N 3.2Å; A797-Y801 VanDerWaalsContact O-N 3.1Å
798	D	57.1	Low	56.6	Low	73 Å²	73	94.8 Å²	94.8	39%	0.39	50%	0.498	S	S	.	.	H	α-helix	trans	-70.6	-37.1	177.1	-164.6	55.1	0	0	0	112.3	S794 L795 I796 R802	S794-D798 WeakPolarHBondContact O-CB 3.37Å; S794-D798 PolarHBondContact O-N 3.16Å; S794-D798 VanDerWaalsContact O-N 3.09Å; L795-D798 PolarHBondContact O-N 2.97Å; I796-D798 VanDerWaalsContact C-N 3.27Å; I796-D798 PolarHBondContact O-N 2.85Å; D798-R802 WeakPolarHBondContact O-CB 3.44Å; D798-R802 PolarHBondContact O-N 3.35Å; D798-R802 VanDerWaalsContact O-N 3.12Å; D798-R802 IonicContact OD1-NH2 3.47Å; D798-R802 IonicContact OD2-CZ 2.66Å; D798-R802 IonicContact OD2-NH2 2.82Å; D798-R802 PolarHBondContact OD2-NH2 3.12Å
799	L	56.8	Low	57.5	Low	69 Å²	69	93.9 Å²	93.9	36%	0.361	49%	0.494	S	S	.	.	H	α-helix	trans	-68.8	-43.1	173.3	-70	166.6	0	0	0	111.4	L795 I796 Y801 R802 Y803	L795-L799 HydrophobicContact CG-CD1 4.27Å; L795-L799 VanDerWaalsContact O-CG 3.3Å; L795-L799 WeakPolarHBondContact O-CG 3.34Å; L795-L799 PolarHBondContact O-N 3.34Å; I796-L799 PolarHBondContact O-N 2.96Å; I796-L799 VanDerWaalsContact O-N 3.1Å; L799-Y801 VanDerWaalsContact C-N 3.33Å; L799-Y801 PolarHBondContact O-N 2.83Å; L799-R802 PolarHBondContact O-N 3.29Å; L799-Y803 HydrophobicContact CD2-CE2 3.94Å; L799-Y803 WeakPolarHBondContact O-CD2 3.2Å; L799-Y803 PolarHBondContact O-N 2.89Å
800	E	60.9	Low	58.7	Low	25 Å²	25	92.8 Å²	92.8	12%	0.117	48%	0.481	C	S	.	.	H	α-helix	trans	-59.7	-42	178.2	-69	-178.8	158.4	0	0	112	I796 S804 W805 R814	I796-E800 HydrophobicContact CG2-CG 4Å; I796-E800 VanDerWaalsContact CG2-OE1 3.28Å; I796-E800 WeakPolarHBondContact CG2-OE1 3.5Å; I796-E800 WeakPolarHBondContact O-CB 3.19Å; I796-E800 WeakPolarHBondContact O-CG 3.28Å; I796-E800 PolarHBondContact O-N 3.03Å; E800-S804 PolarHBondContact O-N 2.89Å; E800-W805 HydrophobicContact CB-CB 4.32Å; E800-W805 HydrophobicContact CB-CE3 4.23Å; E800-W805 HydrophobicContact CG-CD2 4.2Å; E800-W805 HydrophobicContact CG-CE3 3.37Å; E800-W805 HydrophobicContact CG-CZ3 3.63Å; E800-W805 PolarHBondContact O-N 3.09Å; E800-R814 IonicContact OE1-CZ 3.31Å; E800-R814 IonicContact OE1-NE 3.98Å; E800-R814 IonicContact OE1-NH2 3.73Å; E800-R814 PolarHBondContact OE1-NH2 3.35Å; E800-R814 IonicContact OE2-CZ 3.24Å; E800-R814 IonicContact OE2-NE 3.05Å; E800-R814 PolarHBondContact OE2-NE 3.34Å; E800-R814 IonicContact OE2-NH2 3.99Å; E800-R814 PolarHBondContact OE2-NH2 2.83Å
801	Y	56.7	Low	59.7	Low	165 Å²	165	86.2 Å²	86.2	65%	0.647	45%	0.453	S	S	*	.	H	α-helix	trans	-66.2	-43.4	174.2	-179.9	-107.9	0	0	0	112	A797 L799 Y803 S804	A797-Y801 WeakPolarHBondContact O-CB 2.98Å; A797-Y801 PolarHBondContact O-N 3.2Å; A797-Y801 VanDerWaalsContact O-N 3.1Å; L799-Y801 VanDerWaalsContact C-N 3.33Å; L799-Y801 PolarHBondContact O-N 2.83Å; Y801-Y803 VanDerWaalsContact C-N 3.3Å; Y801-Y803 PolarHBondContact O-N 3.5Å; Y801-S804 PolarHBondContact O-N 3.42Å
802	R	53.2	Low	61.2	Low	150 Å²	150	81.7 Å²	81.7	57%	0.566	43%	0.432	S	S	*	.	H	α-helix	trans	-67.2	-29.3	-177.2	-165.3	174.4	-66.2	156	8.9	113.1	D798 L799	D798-R802 WeakPolarHBondContact O-CB 3.44Å; D798-R802 PolarHBondContact O-N 3.35Å; D798-R802 VanDerWaalsContact O-N 3.12Å; D798-R802 IonicContact OD1-NH2 3.47Å; D798-R802 IonicContact OD2-CZ 2.66Å; D798-R802 IonicContact OD2-NH2 2.82Å; D798-R802 PolarHBondContact OD2-NH2 3.12Å; L799-R802 PolarHBondContact O-N 3.29Å
803	Y	58.4	Low	62.8	Low	154 Å²	154	79 Å²	79	60%	0.604	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	14.8	-178.9	-61	-69.6	0	0	0	114.3	L799 Y801 W805	L799-Y803 HydrophobicContact CD2-CE2 3.94Å; L799-Y803 WeakPolarHBondContact O-CD2 3.2Å; L799-Y803 PolarHBondContact O-N 2.89Å; Y801-Y803 VanDerWaalsContact C-N 3.3Å; Y801-Y803 PolarHBondContact O-N 3.5Å; Y803-W805 PolarHBondContact O-N 3.41Å
804	S	54.7	Low	63.9	Low	88 Å²	88	81.5 Å²	81.5	62%	0.615	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	41.1	172.5	-53.2	0	0	0	0	115.3	E800 Y801 D806	E800-S804 PolarHBondContact O-N 2.89Å; Y801-S804 PolarHBondContact O-N 3.42Å; S804-D806 PolarHBondContact O-N 3.33Å
805	W	56.7	Low	65.1	Low	142 Å²	142	86 Å²	86	54%	0.538	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-74.2	2.9	173.1	-76	3	0	0	0	114.5	E800 Y803 C807 S808 S811	E800-W805 HydrophobicContact CB-CB 4.32Å; E800-W805 HydrophobicContact CB-CE3 4.23Å; E800-W805 HydrophobicContact CG-CD2 4.2Å; E800-W805 HydrophobicContact CG-CE3 3.37Å; E800-W805 HydrophobicContact CG-CZ3 3.63Å; E800-W805 PolarHBondContact O-N 3.09Å; Y803-W805 PolarHBondContact O-N 3.41Å; W805-C807 PolarHBondContact O-N 2.9Å; W805-S808 WeakPolarHBondContact O-CB 3.43Å; W805-S808 PolarHBondContact O-N 3.48Å; W805-S811 PolarHBondContact O-OG 3.14Å
806	D	53.3	Low	66.5	Low	103 Å²	103	82.7 Å²	82.7	55%	0.551	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-61.2	-10.5	174.3	-71.4	-26.4	0	0	0	112.9	S804 R815	S804-D806 PolarHBondContact O-N 3.33Å; D806-R815 IonicContact OD1-NH2 2.69Å; D806-R815 IonicContact OD2-NH2 3.31Å
807	C	56.1	Low	68	Low	122 Å²	122	81.5 Å²	81.5	82%	0.824	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-96.4	3.3	174.4	-60	0	0	0	0	114	W805	W805-C807 PolarHBondContact O-N 2.9Å
808	S	69	Low	69.7	Low	43 Å²	43	79.3 Å²	79.3	30%	0.301	38%	0.38	S	S	.	.			trans	-86.6	127.3	-179.9	-178.2	0	0	0	0	111.3	W805 L810 S811	W805-S808 WeakPolarHBondContact O-CB 3.43Å; W805-S808 PolarHBondContact O-N 3.48Å; S808-L810 PolarHBondContact O-N 3.04Å; S808-L810 PolarHBondContact OG-N 3.02Å; S808-S811 PolarHBondContact O-N 3.18Å; S808-S811 PolarHBondContact O-OG 3.39Å
809	P	72.9	Confident	71.4	Confident	50 Å²	50	75.8 Å²	75.8	33%	0.325	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-16.4	172.2	-24.8	34.8	0	0	0	113.7	M812 H848 C901	P809-M812 WeakPolarHBondContact O-CE 3.46Å; P809-H848 PolarHBondContact O-ND1 3.23Å; P809-C901 HydrophobicContact CB-CB 3.76Å; P809-C901 HydrophobicContact CG-CB 3.79Å
810	L	77.8	Confident	73	Confident	92 Å²	92	72.7 Å²	72.7	48%	0.482	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-7.3	179.6	-59.7	177.7	0	0	0	113.8	S808 F847 H848 G849	S808-L810 PolarHBondContact O-N 3.04Å; S808-L810 PolarHBondContact OG-N 3.02Å; L810-F847 HydrophobicContact CD2-CD1 4.15Å; L810-F847 HydrophobicContact CD2-CE1 3.52Å; L810-F847 HydrophobicContact CD2-CZ 4.13Å; L810-H848 CarbonylContact O-C 3.48Å; L810-H848 VanDerWaalsContact O-CA 3.26Å; L810-H848 WeakPolarHBondContact O-CA 3.46Å; L810-G849 PolarHBondContact O-N 3.04Å
811	S	75.8	Confident	74.3	Confident	19 Å²	19	72.6 Å²	72.6	13%	0.133	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	1.9	-179.6	62.6	0	0	0	0	113.4	W805 S808 F813 R814 H848	W805-S811 PolarHBondContact O-OG 3.14Å; S808-S811 PolarHBondContact O-N 3.18Å; S808-S811 PolarHBondContact O-OG 3.39Å; S811-F813 PolarHBondContact O-N 2.86Å; S811-F813 VanDerWaalsContact O-N 3.1Å; S811-R814 WeakPolarHBondContact O-CB 3.04Å; S811-R814 PolarHBondContact O-N 2.61Å; S811-H848 CarbonylContact C-O 3.48Å
812	M	83.9	Confident	75.7	Confident	25 Å²	25	65.4 Å²	65.4	12%	0.123	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.7	-171.1	69.6	-174.4	143.1	0	0	113.9	P809 H848 I898 L903	P809-M812 WeakPolarHBondContact O-CE 3.46Å; M812-H848 HydrophobicContact CE-CB 3.95Å; M812-H848 VanDerWaalsContact CE-ND1 3.32Å; M812-H848 WeakPolarHBondContact CE-ND1 3.39Å; M812-H848 HydrophobicContact CG-CB 4.45Å; M812-I898 HydrophobicContact CE-CB 4.21Å; M812-I898 HydrophobicContact CE-CG1 3.73Å; M812-L903 HydrophobicContact CB-CG 4.25Å; M812-L903 VanDerWaalsContact O-CD1 3.29Å; M812-L903 WeakPolarHBondContact O-CD1 3.46Å
813	F	86.4	Confident	77.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6.9	177.1	-62.5	-76.7	0	0	0	114.1	S811 R815 H816 L845 H848 A850 W893 V894 I898 L903	S811-F813 PolarHBondContact O-N 2.86Å; S811-F813 VanDerWaalsContact O-N 3.1Å; F813-R815 VanDerWaalsContact C-N 3.28Å; F813-R815 PolarHBondContact O-N 3.11Å; F813-R815 VanDerWaalsContact O-N 3.09Å; F813-H816 WeakPolarHBondContact O-CA 3.23Å; F813-H816 VanDerWaalsContact O-CB 3.25Å; F813-H816 WeakPolarHBondContact O-CB 3.11Å; F813-H816 PolarHBondContact O-N 3.3Å; F813-H816 PolarHBondContact O-ND1 2.92Å; F813-L845 HydrophobicContact CB-CD2 4.29Å; F813-L845 HydrophobicContact CD1-CD2 3.84Å; F813-L845 HydrophobicContact CD2-CD2 3.95Å; F813-L845 HydrophobicContact CE1-CD2 4.05Å; F813-L845 HydrophobicContact CE2-CD2 4.16Å; F813-L845 HydrophobicContact CG-CD2 3.77Å; F813-L845 HydrophobicContact CZ-CD2 4.18Å; F813-H848 HydrophobicContact CD2-CB 3.71Å; F813-H848 HydrophobicContact CE2-CB 4.3Å; F813-H848 PolarHBondContact N-O 3.07Å; F813-A850 HydrophobicContact CB-CB 3.58Å; F813-A850 WeakPolarHBondContact O-CA 3.15Å; F813-W893 AromaticContact CD1-CH2 3.92Å; F813-W893 HydrophobicContact CD1-CH2 3.92Å; F813-W893 HydrophobicContact CD1-CZ3 4.12Å; F813-W893 HydrophobicContact CE1-CE3 4.16Å; F813-W893 AromaticContact CE1-CH2 3.63Å; F813-W893 HydrophobicContact CE1-CH2 3.63Å; F813-W893 HydrophobicContact CE1-CZ2 4.07Å; F813-W893 AromaticContact CE1-CZ3 3.66Å; F813-W893 HydrophobicContact CE1-CZ3 3.66Å; F813-V894 HydrophobicContact CZ-CG1 4.47Å; F813-I898 HydrophobicContact CE2-CG1 4.03Å; F813-L903 HydrophobicContact CD1-CD2 3.54Å; F813-L903 HydrophobicContact CE1-CD2 3.41Å; F813-L903 VanDerWaalsContact CE1-CD2 3.41Å; F813-L903 HydrophobicContact CG-CD2 4.37Å; F813-L903 HydrophobicContact CZ-CD2 4.15Å
814	R	80.9	Confident	78.3	Confident	98 Å²	98	56.5 Å²	56.5	37%	0.37	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-36	-170.3	-167.7	64.8	156.3	177.9	-2.7	115.5	E800 S811 H816 G849	E800-R814 IonicContact OE1-CZ 3.31Å; E800-R814 IonicContact OE1-NE 3.98Å; E800-R814 IonicContact OE1-NH2 3.73Å; E800-R814 PolarHBondContact OE1-NH2 3.35Å; E800-R814 IonicContact OE2-CZ 3.24Å; E800-R814 IonicContact OE2-NE 3.05Å; E800-R814 PolarHBondContact OE2-NE 3.34Å; E800-R814 IonicContact OE2-NH2 3.99Å; E800-R814 PolarHBondContact OE2-NH2 2.83Å; S811-R814 WeakPolarHBondContact O-CB 3.04Å; S811-R814 PolarHBondContact O-N 2.61Å; R814-H816 VanDerWaalsContact C-N 3.28Å; R814-H816 PolarHBondContact O-N 3.15Å; R814-G849 WeakPolarHBondContact CA-O 3.26Å; R814-G849 VanDerWaalsContact CD-O 3.22Å; R814-G849 WeakPolarHBondContact CD-O 3.25Å
815	R	80.2	Confident	79.6	Confident	188 Å²	188	55.9 Å²	55.9	71%	0.709	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.7	179.1	-59.7	-173.7	-173.9	179	7.2	113.8	D806 F813	D806-R815 IonicContact OD1-NH2 2.69Å; D806-R815 IonicContact OD2-NH2 3.31Å; F813-R815 VanDerWaalsContact C-N 3.28Å; F813-R815 PolarHBondContact O-N 3.11Å; F813-R815 VanDerWaalsContact O-N 3.09Å
816	H	87.6	Confident	80.8	Confident	25 Å²	25	50.7 Å²	50.7	12%	0.116	27%	0.269	C	S	.	.			trans	-98.7	118.1	-175.1	-57.8	74	0	0	0	109.6	F813 R814 V818 K851 H862 W893	F813-H816 WeakPolarHBondContact O-CA 3.23Å; F813-H816 VanDerWaalsContact O-CB 3.25Å; F813-H816 WeakPolarHBondContact O-CB 3.11Å; F813-H816 PolarHBondContact O-N 3.3Å; F813-H816 PolarHBondContact O-ND1 2.92Å; R814-H816 VanDerWaalsContact C-N 3.28Å; R814-H816 PolarHBondContact O-N 3.15Å; H816-V818 HydrophobicContact CB-CG2 3.78Å; H816-K851 PolarHBondContact O-N 3.21Å; H816-H862 AromaticContact CD2-CE1 3.4Å; H816-H862 PolarHBondContact CD2-CE1 3.12Å; H816-H862 AromaticContact CD2-ND1 3.47Å; H816-H862 PolarHBondContact CD2-ND1 2.95Å; H816-W893 AromaticContact CD2-CH2 3.87Å
817	T	92	Very high	82.3	Confident	34 Å²	34	48.5 Å²	48.5	21%	0.209	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.7	164	-59.5	0	0	0	0	107.8	K851 V853 V860 S861 H862	T817-K851 CarbonylContact C-O 3.5Å; T817-K851 VanDerWaalsContact CA-O 3.28Å; T817-K851 WeakPolarHBondContact CA-O 3.28Å; T817-K851 HydrophobicContact CG2-CB 4.49Å; T817-K851 HydrophobicContact CG2-CD 4.43Å; T817-K851 HydrophobicContact CG2-CG 4.41Å; T817-V853 HydrophobicContact CG2-CG1 3.7Å; T817-V853 HydrophobicContact CG2-CG2 4.25Å; T817-V860 HydrophobicContact CG2-CG2 4.23Å; T817-S861 PolarHBondContact N-OG 3.28Å; T817-S861 PolarHBondContact O-N 3.34Å; T817-S861 PolarHBondContact O-OG 3.32Å; T817-H862 PolarHBondContact O-N 3.02Å
818	V	92.9	Very high	83.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.5	-166.7	-172.1	0	0	0	0	110.2	H816 L820 L845 A850 K851 V852 V853 H862 I864	H816-V818 HydrophobicContact CB-CG2 3.78Å; V818-L820 HydrophobicContact CG1-CD1 4.21Å; V818-L845 HydrophobicContact CB-CD1 4.32Å; V818-L845 HydrophobicContact CG1-CD1 3.84Å; V818-A850 HydrophobicContact CG2-CB 4.27Å; V818-K851 PolarHBondContact N-O 3.44Å; V818-V852 CarbonylContact O-C 3.54Å; V818-V852 VanDerWaalsContact O-CA 3.3Å; V818-V852 WeakPolarHBondContact O-CA 3.49Å; V818-V853 PolarHBondContact O-N 3.02Å; V818-H862 WeakPolarHBondContact CA-O 3.23Å; V818-H862 HydrophobicContact CG1-CB 4.33Å; V818-H862 HydrophobicContact CG2-CB 4.32Å; V818-I864 HydrophobicContact CG1-CD1 4.31Å; V818-I864 HydrophobicContact CG1-CG1 3.5Å; V818-I864 VanDerWaalsContact CG1-CG1 3.5Å
819	Y	92.9	Very high	84.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	138.4	168.3	178.2	-91.4	0	0	0	108.8	Y823 V853 S854 L856 H862 V863 I864 F875	Y819-Y823 HydrophobicContact CE2-CD2 4.34Å; Y819-Y823 HydrophobicContact CE2-CE2 4.34Å; Y819-Y823 WeakPolarHBondContact OH-CD2 3.4Å; Y819-V853 HydrophobicContact CD2-CG2 4.39Å; Y819-S854 WeakPolarHBondContact CE2-O 3.47Å; Y819-L856 HydrophobicContact CD1-CB 4.36Å; Y819-L856 HydrophobicContact CD1-CD1 4.26Å; Y819-L856 HydrophobicContact CD2-CB 4.01Å; Y819-L856 HydrophobicContact CE1-CB 4.47Å; Y819-L856 HydrophobicContact CE2-CB 4.12Å; Y819-L856 HydrophobicContact CG-CB 4.13Å; Y819-L856 HydrophobicContact CG-CD1 4.04Å; Y819-H862 PolarHBondContact N-O 3.42Å; Y819-V863 HydrophobicContact CD1-CG1 4.29Å; Y819-V863 HydrophobicContact CD1-CG2 4.26Å; Y819-V863 CarbonylContact O-C 3.58Å; Y819-V863 VanDerWaalsContact O-CA 3.28Å; Y819-V863 WeakPolarHBondContact O-CA 3.36Å; Y819-I864 PolarHBondContact O-N 3.01Å; Y819-F875 HydrophobicContact CD1-CE1 4.23Å; Y819-F875 AromaticContact CE1-CE1 3.71Å; Y819-F875 HydrophobicContact CE1-CE1 3.71Å; Y819-F875 HydrophobicContact CE1-CZ 4.01Å
820	L	91.1	Very high	84.7	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.4	175.8	-64.6	92.1	0	0	0	109	V818 L822 L838 K841 A842 L845 V852 I864	V818-L820 HydrophobicContact CG1-CD1 4.21Å; L820-L822 HydrophobicContact CB-CD1 4.02Å; L820-L822 HydrophobicContact CB-CG 3.92Å; L820-L822 PolarHBondContact O-N 3.14Å; L820-L838 HydrophobicContact CD2-CB 4.33Å; L820-L838 HydrophobicContact CD2-CD2 4.24Å; L820-L838 VanDerWaalsContact CD2-O 3.27Å; L820-L838 WeakPolarHBondContact CD2-O 3.28Å; L820-K841 HydrophobicContact CD2-CB 4.11Å; L820-A842 HydrophobicContact CD1-CB 3.92Å; L820-A842 HydrophobicContact CD2-CB 4Å; L820-L845 HydrophobicContact CD1-CD1 4.07Å; L820-L845 HydrophobicContact CD2-CD1 4.24Å; L820-L845 HydrophobicContact CG-CD1 4.47Å; L820-V852 HydrophobicContact CD1-CB 4.44Å; L820-V852 HydrophobicContact CD1-CG1 3.39Å; L820-V852 HydrophobicContact CD1-CG2 4.22Å; L820-I864 HydrophobicContact CD2-CB 4.44Å; L820-I864 HydrophobicContact CG-CB 4.17Å
821	D	88.6	Confident	85.1	Confident	24 Å²	24	47.8 Å²	47.8	13%	0.128	25%	0.248	C	C	.	.			trans	-72.5	72.3	178.9	-170.8	23.2	0	0	0	112	L838 I864 R871 F875	D821-L838 HydrophobicContact CB-CD1 4.46Å; D821-L838 WeakPolarHBondContact O-CD1 3.39Å; D821-I864 PolarHBondContact N-O 3.3Å; D821-R871 IonicContact OD1-CZ 2.88Å; D821-R871 IonicContact OD1-NH1 2.71Å; D821-R871 PolarHBondContact OD1-NH1 3.36Å; D821-R871 IonicContact OD1-NH2 3.19Å; D821-R871 IonicContact OD2-NH1 2.82Å; D821-R871 PolarHBondContact OD2-NH1 2.95Å; D821-F875 HydrophobicContact CB-CE2 3.86Å; D821-F875 HydrophobicContact CB-CZ 3.81Å; D821-F875 VanDerWaalsContact CG-CE2 3.47Å; D821-F875 WeakPolarHBondContact OD1-CZ 3.48Å
822	L	84.8	Confident	85.4	Confident	14 Å²	14	52 Å²	52	7%	0.073	26%	0.264	C	S	.	.			trans	-102.9	4.8	-176.1	-70.1	174.8	0	0	0	113.4	L820 K832 T833 T836 L838 A839 A842	L820-L822 HydrophobicContact CB-CD1 4.02Å; L820-L822 HydrophobicContact CB-CG 3.92Å; L820-L822 PolarHBondContact O-N 3.14Å; L822-K832 CarbonylContact O-C 3.59Å; L822-K832 WeakPolarHBondContact O-CA 3.37Å; L822-T833 PolarHBondContact O-N 3.31Å; L822-T836 WeakPolarHBondContact CD2-OG1 3.46Å; L822-L838 HydrophobicContact CD2-CB 3.48Å; L822-L838 VanDerWaalsContact CD2-CB 3.48Å; L822-L838 HydrophobicContact CG-CB 4.31Å; L822-A839 HydrophobicContact CD2-CB 4.21Å; L822-A842 HydrophobicContact CD1-CB 4.29Å
823	Y	85.8	Confident	85.2	Confident	20 Å²	20	53.7 Å²	53.7	8%	0.078	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-132.8	126.5	-169.4	-56.5	-88.7	0	0	0	110.4	Y819 V825 D828 L829 K832 S854 R871	Y819-Y823 HydrophobicContact CE2-CD2 4.34Å; Y819-Y823 HydrophobicContact CE2-CE2 4.34Å; Y819-Y823 WeakPolarHBondContact OH-CD2 3.4Å; Y823-V825 WeakPolarHBondContact CB-O 3.31Å; Y823-V825 PolarHBondContact O-N 2.81Å; Y823-V825 VanDerWaalsContact O-N 3.16Å; Y823-D828 WeakPolarHBondContact CD1-O 3.44Å; Y823-L829 HydrophobicContact CE1-CD2 3.91Å; Y823-K832 HydrophobicContact CD1-CB 3.82Å; Y823-K832 HydrophobicContact CD1-CG 4.22Å; Y823-K832 HydrophobicContact CE1-CB 3.72Å; Y823-K832 HydrophobicContact CE1-CD 4.34Å; Y823-K832 HydrophobicContact CE1-CG 3.85Å; Y823-S854 WeakPolarHBondContact CE2-O 3.4Å; Y823-S854 VanDerWaalsContact OH-CB 3.27Å; Y823-S854 WeakPolarHBondContact OH-CB 3.42Å; Y823-R871 PolarHBondContact O-NH1 2.75Å; Y823-R871 PolarHBondContact O-NH2 3.47Å; Y823-R871 VanDerWaalsContact O-NH2 3.1Å
824	V	81.2	Confident	84.8	Confident	96 Å²	96	61.6 Å²	61.6	58%	0.582	31%	0.313	S	S	*	.	S	Bend	trans	-57.7	-33	-179.5	-178.8	0	0	0	0	111.3	T831 R871	V824-T831 PolarHBondContact N-O 3.41Å; V824-T831 PolarHBondContact N-OG1 3.14Å; V824-R871 VanDerWaalsContact O-CZ 3.25Å; V824-R871 PolarHBondContact O-NH2 3.25Å
825	V	81.8	Confident	84.3	Confident	76 Å²	76	60.9 Å²	60.9	46%	0.461	34%	0.336	S	S	.	.	S	Bend	trans	-115.8	127.9	171	-180	0	0	0	0	109.1	Y823 N827 D828 T831	Y823-V825 WeakPolarHBondContact CB-O 3.31Å; Y823-V825 PolarHBondContact O-N 2.81Å; Y823-V825 VanDerWaalsContact O-N 3.16Å; V825-N827 PolarHBondContact O-N 3.3Å; V825-D828 HydrophobicContact CB-CB 3.89Å; V825-D828 HydrophobicContact CG1-CB 4.03Å; V825-D828 PolarHBondContact O-N 2.99Å; V825-D828 VanDerWaalsContact O-N 3.1Å; V825-T831 HydrophobicContact CB-CG2 4.22Å; V825-T831 HydrophobicContact CG2-CG2 4.14Å; V825-T831 PolarHBondContact N-OG1 3.18Å; V825-T831 PolarHBondContact O-OG1 2.89Å
826	I	82.4	Confident	84.3	Confident	33 Å²	33	53.8 Å²	53.8	17%	0.169	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	128.5	-178	-57.8	178.3	0	0	0	109	D828 L856 D874 F875 F878	I826-D828 PolarHBondContact O-N 2.94Å; I826-L856 HydrophobicContact CG2-CB 4.41Å; I826-L856 HydrophobicContact CG2-CD2 4.26Å; I826-D874 HydrophobicContact CD1-CB 4.11Å; I826-F875 HydrophobicContact CD1-CD1 3.94Å; I826-F875 HydrophobicContact CD1-CE1 3.7Å; I826-F875 HydrophobicContact CD1-CG 4.49Å; I826-F875 HydrophobicContact CD1-CZ 4.07Å; I826-F875 HydrophobicContact CG1-CE1 4.03Å; I826-F875 HydrophobicContact CG1-CZ 4.15Å; I826-F875 HydrophobicContact CG2-CE1 4.42Å; I826-F878 HydrophobicContact CG2-CE2 4.45Å
827	N	84.2	Confident	84	Confident	56 Å²	56	59.2 Å²	59.2	30%	0.299	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	8.4	-178.4	-62.2	-11.1	0	0	0	116.6	V825 C855 L856	V825-N827 PolarHBondContact O-N 3.3Å; N827-C855 WeakPolarHBondContact OD1-CA 3.17Å; N827-L856 PolarHBondContact ND2-O 2.98Å; N827-L856 WeakPolarHBondContact OD1-CA 3.17Å; N827-L856 WeakPolarHBondContact OD1-CB 3.33Å; N827-L856 PolarHBondContact OD1-N 2.89Å
828	D	84.3	Confident	83.8	Confident	61 Å²	61	58.4 Å²	58.4	33%	0.326	33%	0.327	S	S	.	.			trans	-98.2	102.9	171.4	-171.1	-14.6	0	0	0	111.1	Y823 V825 I826 S830 T831	Y823-D828 WeakPolarHBondContact CD1-O 3.44Å; V825-D828 HydrophobicContact CB-CB 3.89Å; V825-D828 HydrophobicContact CG1-CB 4.03Å; V825-D828 PolarHBondContact O-N 2.99Å; V825-D828 VanDerWaalsContact O-N 3.1Å; I826-D828 PolarHBondContact O-N 2.94Å; D828-S830 VanDerWaalsContact CG-OG 3.27Å; D828-S830 PolarHBondContact O-N 2.89Å; D828-S830 WeakPolarHBondContact OD1-CB 3.39Å; D828-S830 PolarHBondContact OD1-N 2.98Å; D828-S830 PolarHBondContact OD1-OG 2.91Å; D828-S830 PolarHBondContact OD2-OG 3.26Å; D828-T831 HydrophobicContact CB-CG2 4.14Å; D828-T831 PolarHBondContact O-N 2.79Å; D828-T831 VanDerWaalsContact O-N 3.11Å; D828-T831 PolarHBondContact O-OG1 2.94Å
829	L	82.8	Confident	83.4	Confident	97 Å²	97	59.8 Å²	59.8	51%	0.508	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-61.3	-25.2	-178.5	-63.8	168.4	0	0	0	113.4	Y823 T831	Y823-L829 HydrophobicContact CE1-CD2 3.91Å; L829-T831 PolarHBondContact O-N 3.05Å
830	S	82	Confident	83.1	Confident	102 Å²	102	64.4 Å²	64.4	71%	0.713	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-72	-16.4	179.6	72.4	0	0	0	0	113	D828	D828-S830 VanDerWaalsContact CG-OG 3.27Å; D828-S830 PolarHBondContact O-N 2.89Å; D828-S830 WeakPolarHBondContact OD1-CB 3.39Å; D828-S830 PolarHBondContact OD1-N 2.98Å; D828-S830 PolarHBondContact OD1-OG 2.91Å; D828-S830 PolarHBondContact OD2-OG 3.26Å
831	T	85.4	Confident	83	Confident	32 Å²	32	65.4 Å²	65.4	20%	0.196	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-101.4	21	-175.9	70	0	0	0	0	113.7	V824 V825 D828 L829 T833	V824-T831 PolarHBondContact N-O 3.41Å; V824-T831 PolarHBondContact N-OG1 3.14Å; V825-T831 HydrophobicContact CB-CG2 4.22Å; V825-T831 HydrophobicContact CG2-CG2 4.14Å; V825-T831 PolarHBondContact N-OG1 3.18Å; V825-T831 PolarHBondContact O-OG1 2.89Å; D828-T831 HydrophobicContact CB-CG2 4.14Å; D828-T831 PolarHBondContact O-N 2.79Å; D828-T831 VanDerWaalsContact O-N 3.11Å; D828-T831 PolarHBondContact O-OG1 2.94Å; L829-T831 PolarHBondContact O-N 3.05Å; T831-T833 PolarHBondContact O-N 3.26Å
832	K	83.2	Confident	83	Confident	108 Å²	108	64.3 Å²	64.3	47%	0.47	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-62.6	127.4	-177.6	-170	-175.8	176.8	-166	0	111.3	L822 Y823	L822-K832 CarbonylContact O-C 3.59Å; L822-K832 WeakPolarHBondContact O-CA 3.37Å; Y823-K832 HydrophobicContact CD1-CB 3.82Å; Y823-K832 HydrophobicContact CD1-CG 4.22Å; Y823-K832 HydrophobicContact CE1-CB 3.72Å; Y823-K832 HydrophobicContact CE1-CD 4.34Å; Y823-K832 HydrophobicContact CE1-CG 3.85Å
833	T	78.9	Confident	83.1	Confident	61 Å²	61	69 Å²	69	37%	0.374	39%	0.386	S	S	.	.			trans	-84.8	113.7	172.7	-42.8	0	0	0	0	109.4	L822 T831 T836	L822-T833 PolarHBondContact O-N 3.31Å; T831-T833 PolarHBondContact O-N 3.26Å; T833-T836 HydrophobicContact CG2-CG2 3.5Å
834	E	77.3	Confident	83.4	Confident	165 Å²	165	70.6 Å²	70.6	77%	0.771	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	153.8	178.7	-60.4	-160.5	153.6	0	0	112.2	T836	E834-T836 VanDerWaalsContact C-N 3.35Å; E834-T836 PolarHBondContact O-N 3.29Å
835	G	71.6	Confident	83.8	Confident	83 Å²	83	66 Å²	66	86%	0.856	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	17.1	173.3	0	0	0	0	0	116.2
836	T	80.5	Confident	84.2	Confident	39 Å²	39	68.4 Å²	68.4	24%	0.239	37%	0.367	C	S	.	.			trans	-84.1	156.3	179.7	64.8	0	0	0	0	112.7	L822 T833 E834 L838 A839	L822-T836 WeakPolarHBondContact CD2-OG1 3.46Å; T833-T836 HydrophobicContact CG2-CG2 3.5Å; E834-T836 VanDerWaalsContact C-N 3.35Å; E834-T836 PolarHBondContact O-N 3.29Å; T836-L838 PolarHBondContact O-N 3.37Å; T836-A839 VanDerWaalsContact O-CB 3.29Å; T836-A839 WeakPolarHBondContact O-CB 3.37Å; T836-A839 PolarHBondContact O-N 3.41Å; T836-A839 PolarHBondContact OG1-N 3.28Å
837	R	81.3	Confident	84.3	Confident	140 Å²	140	73.7 Å²	73.7	53%	0.528	39%	0.389	S	S	.	.	H	α-helix	trans	-57.5	-36.9	172.4	-76.4	175	58.9	-175.5	-8.8	112.2	A839 I840 K841 E867 E891	R837-A839 PolarHBondContact O-N 2.95Å; R837-I840 WeakPolarHBondContact O-CB 3.45Å; R837-I840 PolarHBondContact O-N 3.48Å; R837-I840 VanDerWaalsContact O-N 3.1Å; R837-K841 PolarHBondContact O-N 3.15Å; R837-E867 IonicContact CZ-OE1 3.37Å; R837-E867 IonicContact NH1-OE1 2.74Å; R837-E867 PolarHBondContact NH1-OE1 3.31Å; R837-E867 IonicContact NH1-OE2 3.47Å; R837-E867 IonicContact NH2-OE1 2.68Å; R837-E867 PolarHBondContact NH2-OE1 3.38Å; R837-E891 IonicContact CZ-OE1 3.17Å; R837-E891 VanDerWaalsContact CZ-OE1 3.26Å; R837-E891 IonicContact NE-OE1 3.54Å; R837-E891 PolarHBondContact NE-OE1 2.81Å; R837-E891 IonicContact NH2-OE1 3.44Å; R837-E891 PolarHBondContact NH2-OE1 3.03Å
838	L	86.4	Confident	84.4	Confident	16 Å²	16	72 Å²	72	8%	0.084	38%	0.379	C	S	.	.	H	α-helix	trans	-61.3	-30.7	173.5	-70.4	174.2	0	0	0	112.7	L820 D821 L822 T836 I840 K841 A842 I864 E891	L820-L838 HydrophobicContact CD2-CB 4.33Å; L820-L838 HydrophobicContact CD2-CD2 4.24Å; L820-L838 VanDerWaalsContact CD2-O 3.27Å; L820-L838 WeakPolarHBondContact CD2-O 3.28Å; D821-L838 HydrophobicContact CB-CD1 4.46Å; D821-L838 WeakPolarHBondContact O-CD1 3.39Å; L822-L838 HydrophobicContact CD2-CB 3.48Å; L822-L838 VanDerWaalsContact CD2-CB 3.48Å; L822-L838 HydrophobicContact CG-CB 4.31Å; T836-L838 PolarHBondContact O-N 3.37Å; L838-I840 VanDerWaalsContact C-N 3.29Å; L838-I840 PolarHBondContact O-N 2.95Å; L838-K841 PolarHBondContact O-N 3.45Å; L838-A842 WeakPolarHBondContact O-CB 3.33Å; L838-A842 PolarHBondContact O-N 3.21Å; L838-I864 HydrophobicContact CD2-CG2 4.12Å; L838-E891 HydrophobicContact CD2-CB 3.94Å; L838-E891 WeakPolarHBondContact CD2-OE2 3.31Å
839	A	84.4	Confident	84.4	Confident	29 Å²	29	69.6 Å²	69.6	24%	0.24	37%	0.368	C	S	.	.	H	α-helix	trans	-67.5	-34.2	176.7	0	0	0	0	0	111.4	L822 T836 R837 A842 L843	L822-A839 HydrophobicContact CD2-CB 4.21Å; T836-A839 VanDerWaalsContact O-CB 3.29Å; T836-A839 WeakPolarHBondContact O-CB 3.37Å; T836-A839 PolarHBondContact O-N 3.41Å; T836-A839 PolarHBondContact OG1-N 3.28Å; R837-A839 PolarHBondContact O-N 2.95Å; A839-A842 WeakPolarHBondContact O-CB 3.41Å; A839-A842 PolarHBondContact O-N 2.96Å; A839-L843 PolarHBondContact O-N 3.34Å
840	I	86.9	Confident	84.6	Confident	98 Å²	98	65.3 Å²	65.3	50%	0.503	35%	0.347	S	S	.	.	H	α-helix	trans	-67.9	-46	172	-59.2	172.5	0	0	0	109.7	R837 L838 A842 L843 E844	R837-I840 WeakPolarHBondContact O-CB 3.45Å; R837-I840 PolarHBondContact O-N 3.48Å; R837-I840 VanDerWaalsContact O-N 3.1Å; L838-I840 VanDerWaalsContact C-N 3.29Å; L838-I840 PolarHBondContact O-N 2.95Å; I840-A842 PolarHBondContact O-N 2.83Å; I840-L843 WeakPolarHBondContact O-CA 3.18Å; I840-L843 WeakPolarHBondContact O-CB 3.4Å; I840-L843 PolarHBondContact O-N 3.45Å; I840-E844 PolarHBondContact O-N 2.82Å
841	K	90.2	Very high	85.1	Confident	23 Å²	23	66.4 Å²	66.4	10%	0.1	34%	0.339	C	S	.	.	H	α-helix	trans	-61.1	-31.8	176	-61.1	-50.5	177	179.7	0	113.3	L820 R837 L838 L843 E844 L845 V894 T895	L820-K841 HydrophobicContact CD2-CB 4.11Å; R837-K841 PolarHBondContact O-N 3.15Å; L838-K841 PolarHBondContact O-N 3.45Å; K841-L843 VanDerWaalsContact C-N 3.31Å; K841-L843 PolarHBondContact O-N 3.08Å; K841-E844 WeakPolarHBondContact CD-OE2 3.29Å; K841-E844 WeakPolarHBondContact CE-OE2 3.47Å; K841-E844 IonicContact NZ-OE1 3.65Å; K841-E844 PolarHBondContact NZ-OE1 3.49Å; K841-E844 IonicContact NZ-OE2 3.99Å; K841-E844 PolarHBondContact NZ-OE2 3.07Å; K841-E844 PolarHBondContact O-N 2.88Å; K841-L845 VanDerWaalsContact O-CB 3.3Å; K841-L845 WeakPolarHBondContact O-CB 3.5Å; K841-L845 VanDerWaalsContact O-CG 3.31Å; K841-L845 WeakPolarHBondContact O-CG 3.44Å; K841-L845 PolarHBondContact O-N 2.68Å; K841-V894 HydrophobicContact CD-CG1 4.39Å; K841-T895 WeakPolarHBondContact CE-OG1 3.42Å; K841-T895 PolarHBondContact NZ-OG1 3.45Å
842	A	88.6	Confident	85.3	Confident	2 Å²	2	65.8 Å²	65.8	2%	0.017	34%	0.335	C	S	.	.	H	α-helix	trans	-65.4	-33.2	172	0	0	0	0	0	112.8	L820 L822 L838 A839 I840 R846 V852	L820-A842 HydrophobicContact CD1-CB 3.92Å; L820-A842 HydrophobicContact CD2-CB 4Å; L822-A842 HydrophobicContact CD1-CB 4.29Å; L838-A842 WeakPolarHBondContact O-CB 3.33Å; L838-A842 PolarHBondContact O-N 3.21Å; A839-A842 WeakPolarHBondContact O-CB 3.41Å; A839-A842 PolarHBondContact O-N 2.96Å; I840-A842 PolarHBondContact O-N 2.83Å; A842-R846 WeakPolarHBondContact O-CG 3.38Å; A842-R846 PolarHBondContact O-N 3.4Å; A842-R846 PolarHBondContact O-NH1 3.34Å; A842-V852 HydrophobicContact CB-CG1 4.18Å
843	L	86.9	Confident	85.6	Confident	113 Å²	113	62.2 Å²	62.2	59%	0.592	32%	0.323	S	S	*	.	H	α-helix	trans	-74.2	-45.4	175.2	-68.2	171.8	0	0	0	110.9	A839 I840 K841 L845 R846 F847	A839-L843 PolarHBondContact O-N 3.34Å; I840-L843 WeakPolarHBondContact O-CA 3.18Å; I840-L843 WeakPolarHBondContact O-CB 3.4Å; I840-L843 PolarHBondContact O-N 3.45Å; K841-L843 VanDerWaalsContact C-N 3.31Å; K841-L843 PolarHBondContact O-N 3.08Å; L843-L845 PolarHBondContact O-N 3.36Å; L843-R846 PolarHBondContact O-N 3Å; L843-F847 WeakPolarHBondContact O-CB 3.34Å; L843-F847 PolarHBondContact O-N 2.85Å
844	E	91.1	Very high	86	Confident	53 Å²	53	61.9 Å²	61.9	25%	0.248	32%	0.322	C	S	.	.	H	α-helix	trans	-58.1	-47.4	175.6	-70.6	175.6	-173.8	0	0	111.6	I840 K841 R846 F847 H848 I898	I840-E844 PolarHBondContact O-N 2.82Å; K841-E844 WeakPolarHBondContact CD-OE2 3.29Å; K841-E844 WeakPolarHBondContact CE-OE2 3.47Å; K841-E844 IonicContact NZ-OE1 3.65Å; K841-E844 PolarHBondContact NZ-OE1 3.49Å; K841-E844 IonicContact NZ-OE2 3.99Å; K841-E844 PolarHBondContact NZ-OE2 3.07Å; K841-E844 PolarHBondContact O-N 2.88Å; E844-R846 VanDerWaalsContact C-N 3.32Å; E844-R846 PolarHBondContact O-N 2.95Å; E844-F847 WeakPolarHBondContact O-CB 3.47Å; E844-F847 PolarHBondContact O-N 3.17Å; E844-F847 VanDerWaalsContact O-N 3.11Å; E844-H848 PolarHBondContact O-CD2 3.41Å; E844-H848 PolarHBondContact O-N 3.2Å; E844-I898 HydrophobicContact CB-CD1 3.71Å; E844-I898 HydrophobicContact CG-CD1 4.33Å
845	L	90.5	Very high	86.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.2	-43.7	175.9	-82.5	168.6	0	0	0	112.2	F813 V818 L820 K841 L843 H848 G849 A850 V852 I864 V894	F813-L845 HydrophobicContact CB-CD2 4.29Å; F813-L845 HydrophobicContact CD1-CD2 3.84Å; F813-L845 HydrophobicContact CD2-CD2 3.95Å; F813-L845 HydrophobicContact CE1-CD2 4.05Å; F813-L845 HydrophobicContact CE2-CD2 4.16Å; F813-L845 HydrophobicContact CG-CD2 3.77Å; F813-L845 HydrophobicContact CZ-CD2 4.18Å; V818-L845 HydrophobicContact CB-CD1 4.32Å; V818-L845 HydrophobicContact CG1-CD1 3.84Å; L820-L845 HydrophobicContact CD1-CD1 4.07Å; L820-L845 HydrophobicContact CD2-CD1 4.24Å; L820-L845 HydrophobicContact CG-CD1 4.47Å; K841-L845 VanDerWaalsContact O-CB 3.3Å; K841-L845 WeakPolarHBondContact O-CB 3.5Å; K841-L845 VanDerWaalsContact O-CG 3.31Å; K841-L845 WeakPolarHBondContact O-CG 3.44Å; K841-L845 PolarHBondContact O-N 2.68Å; L843-L845 PolarHBondContact O-N 3.36Å; L845-H848 CarbonylContact O-C 3.51Å; L845-H848 PolarHBondContact O-N 3.38Å; L845-G849 PolarHBondContact O-N 3.42Å; L845-A850 HydrophobicContact CB-CB 3.88Å; L845-A850 HydrophobicContact CD2-CB 4.09Å; L845-A850 WeakPolarHBondContact O-CA 3.29Å; L845-A850 WeakPolarHBondContact O-CB 3.12Å; L845-A850 PolarHBondContact O-N 2.77Å; L845-V852 HydrophobicContact CB-CG2 3.71Å; L845-V852 HydrophobicContact CD1-CG2 4.37Å; L845-I864 HydrophobicContact CD1-CG1 4.49Å; L845-V894 HydrophobicContact CD1-CG1 4.44Å; L845-V894 HydrophobicContact CD1-CG2 4.05Å; L845-V894 HydrophobicContact CD2-CG1 3.89Å; L845-V894 HydrophobicContact CD2-CG2 3.99Å; L845-V894 HydrophobicContact CG-CG1 3.75Å; L845-V894 HydrophobicContact CG-CG2 4.12Å
846	R	88.7	Confident	87.2	Confident	125 Å²	125	52.5 Å²	52.5	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-65.8	-40.3	176	-73.7	-178	-173	104.7	0	111.9	A842 L843 E844 H848 G849 V852	A842-R846 WeakPolarHBondContact O-CG 3.38Å; A842-R846 PolarHBondContact O-N 3.4Å; A842-R846 PolarHBondContact O-NH1 3.34Å; L843-R846 PolarHBondContact O-N 3Å; E844-R846 VanDerWaalsContact C-N 3.32Å; E844-R846 PolarHBondContact O-N 2.95Å; R846-H848 VanDerWaalsContact C-N 3.29Å; R846-H848 PolarHBondContact O-N 2.85Å; R846-G849 PolarHBondContact O-N 3.34Å; R846-G849 VanDerWaalsContact O-N 3.13Å; R846-V852 HydrophobicContact CG-CB 3.94Å; R846-V852 HydrophobicContact CG-CG2 3.77Å
847	F	85.4	Confident	87.5	Confident	144 Å²	144	53.2 Å²	53.2	63%	0.632	27%	0.271	S	S	*	.	H	α-helix	trans	-62	-38.9	178.2	-175.1	-99.9	0	0	0	111.6	L810 L843 E844 G849	L810-F847 HydrophobicContact CD2-CD1 4.15Å; L810-F847 HydrophobicContact CD2-CE1 3.52Å; L810-F847 HydrophobicContact CD2-CZ 4.13Å; L843-F847 WeakPolarHBondContact O-CB 3.34Å; L843-F847 PolarHBondContact O-N 2.85Å; E844-F847 WeakPolarHBondContact O-CB 3.47Å; E844-F847 PolarHBondContact O-N 3.17Å; E844-F847 VanDerWaalsContact O-N 3.11Å; F847-G849 VanDerWaalsContact C-N 3.27Å; F847-G849 PolarHBondContact O-N 2.59Å
848	H	86.4	Confident	87.7	Confident	22 Å²	22	51.5 Å²	51.5	10%	0.102	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	21.8	175.6	-65.9	-81.8	0	0	0	113.7	P809 L810 S811 M812 F813 E844 L845 R846	P809-H848 PolarHBondContact O-ND1 3.23Å; L810-H848 CarbonylContact O-C 3.48Å; L810-H848 VanDerWaalsContact O-CA 3.26Å; L810-H848 WeakPolarHBondContact O-CA 3.46Å; S811-H848 CarbonylContact C-O 3.48Å; M812-H848 HydrophobicContact CE-CB 3.95Å; M812-H848 VanDerWaalsContact CE-ND1 3.32Å; M812-H848 WeakPolarHBondContact CE-ND1 3.39Å; M812-H848 HydrophobicContact CG-CB 4.45Å; F813-H848 HydrophobicContact CD2-CB 3.71Å; F813-H848 HydrophobicContact CE2-CB 4.3Å; F813-H848 PolarHBondContact N-O 3.07Å; E844-H848 PolarHBondContact O-CD2 3.41Å; E844-H848 PolarHBondContact O-N 3.2Å; L845-H848 CarbonylContact O-C 3.51Å; L845-H848 PolarHBondContact O-N 3.38Å; R846-H848 VanDerWaalsContact C-N 3.29Å; R846-H848 PolarHBondContact O-N 2.85Å
849	G	83.4	Confident	87.6	Confident	9 Å²	9	53 Å²	53	9%	0.093	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.8	-9	164.2	0	0	0	0	0	116.9	L810 R814 L845 R846 F847	L810-G849 PolarHBondContact O-N 3.04Å; R814-G849 WeakPolarHBondContact CA-O 3.26Å; R814-G849 VanDerWaalsContact CD-O 3.22Å; R814-G849 WeakPolarHBondContact CD-O 3.25Å; L845-G849 PolarHBondContact O-N 3.42Å; R846-G849 PolarHBondContact O-N 3.34Å; R846-G849 VanDerWaalsContact O-N 3.13Å; F847-G849 VanDerWaalsContact C-N 3.27Å; F847-G849 PolarHBondContact O-N 2.59Å
850	A	88.6	Confident	87.9	Confident	8 Å²	8	52 Å²	52	7%	0.066	28%	0.279	C	S	.	.			trans	-65.8	146.5	-176.1	0	0	0	0	0	113.6	F813 V818 L845 V852	F813-A850 HydrophobicContact CB-CB 3.58Å; F813-A850 WeakPolarHBondContact O-CA 3.15Å; V818-A850 HydrophobicContact CG2-CB 4.27Å; L845-A850 HydrophobicContact CB-CB 3.88Å; L845-A850 HydrophobicContact CD2-CB 4.09Å; L845-A850 WeakPolarHBondContact O-CA 3.29Å; L845-A850 WeakPolarHBondContact O-CB 3.12Å; L845-A850 PolarHBondContact O-N 2.77Å; A850-V852 HydrophobicContact CB-CG2 4.39Å; A850-V852 PolarHBondContact O-N 3.23Å
851	K	90.6	Very high	88.1	Confident	125 Å²	125	48.7 Å²	48.7	54%	0.543	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	95.5	167.5	-173.9	176	-177.5	172.9	0	109.8	H816 T817 V818 V853	H816-K851 PolarHBondContact O-N 3.21Å; T817-K851 CarbonylContact C-O 3.5Å; T817-K851 VanDerWaalsContact CA-O 3.28Å; T817-K851 WeakPolarHBondContact CA-O 3.28Å; T817-K851 HydrophobicContact CG2-CB 4.49Å; T817-K851 HydrophobicContact CG2-CD 4.43Å; T817-K851 HydrophobicContact CG2-CG 4.41Å; V818-K851 PolarHBondContact N-O 3.44Å; K851-V853 HydrophobicContact CG-CG1 4.31Å
852	V	91	Very high	88.3	Confident	19 Å²	19	48 Å²	48	12%	0.115	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	115.9	177.1	179.1	0	0	0	0	111	V818 L820 A842 L845 R846 A850	V818-V852 CarbonylContact O-C 3.54Å; V818-V852 VanDerWaalsContact O-CA 3.3Å; V818-V852 WeakPolarHBondContact O-CA 3.49Å; L820-V852 HydrophobicContact CD1-CB 4.44Å; L820-V852 HydrophobicContact CD1-CG1 3.39Å; L820-V852 HydrophobicContact CD1-CG2 4.22Å; A842-V852 HydrophobicContact CB-CG1 4.18Å; L845-V852 HydrophobicContact CB-CG2 3.71Å; L845-V852 HydrophobicContact CD1-CG2 4.37Å; R846-V852 HydrophobicContact CG-CB 3.94Å; R846-V852 HydrophobicContact CG-CG2 3.77Å; A850-V852 HydrophobicContact CB-CG2 4.39Å; A850-V852 PolarHBondContact O-N 3.23Å
853	V	90.1	Very high	88.5	Confident	33 Å²	33	48 Å²	48	20%	0.2	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	147.2	-177.9	-63.5	0	0	0	0	112	T817 V818 Y819 K851 C855 V860	T817-V853 HydrophobicContact CG2-CG1 3.7Å; T817-V853 HydrophobicContact CG2-CG2 4.25Å; V818-V853 PolarHBondContact O-N 3.02Å; Y819-V853 HydrophobicContact CD2-CG2 4.39Å; K851-V853 HydrophobicContact CG-CG1 4.31Å; V853-C855 WeakPolarHBondContact CG2-O 3.26Å; V853-V860 HydrophobicContact CG2-CG2 3.64Å
854	S	85.3	Confident	88.8	Confident	53 Å²	53	42.6 Å²	42.6	37%	0.371	23%	0.233	S	C	.	.	S	Bend	trans	-88.4	-13.4	177.6	52.8	0	0	0	0	113.7	Y819 Y823	Y819-S854 WeakPolarHBondContact CE2-O 3.47Å; Y823-S854 WeakPolarHBondContact CE2-O 3.4Å; Y823-S854 VanDerWaalsContact OH-CB 3.27Å; Y823-S854 WeakPolarHBondContact OH-CB 3.42Å
855	C	86.3	Confident	88.8	Confident	49 Å²	49	40.1 Å²	40.1	33%	0.331	22%	0.222	S	C	.	.	S	Bend	trans	-126.4	132.2	176.7	-61.2	0	0	0	0	110.2	N827 V853 A857	N827-C855 WeakPolarHBondContact OD1-CA 3.17Å; V853-C855 WeakPolarHBondContact CG2-O 3.26Å; C855-A857 PolarHBondContact O-N 3.47Å
856	L	88.1	Confident	88.4	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.016	23%	0.227	C	C	.	.			trans	-74.6	102.5	171.7	-170.2	59.6	0	0	0	109.2	Y819 I826 N827 V860 V863 F875 F878 F882 F886	Y819-L856 HydrophobicContact CD1-CB 4.36Å; Y819-L856 HydrophobicContact CD1-CD1 4.26Å; Y819-L856 HydrophobicContact CD2-CB 4.01Å; Y819-L856 HydrophobicContact CE1-CB 4.47Å; Y819-L856 HydrophobicContact CE2-CB 4.12Å; Y819-L856 HydrophobicContact CG-CB 4.13Å; Y819-L856 HydrophobicContact CG-CD1 4.04Å; I826-L856 HydrophobicContact CG2-CB 4.41Å; I826-L856 HydrophobicContact CG2-CD2 4.26Å; N827-L856 PolarHBondContact ND2-O 2.98Å; N827-L856 WeakPolarHBondContact OD1-CA 3.17Å; N827-L856 WeakPolarHBondContact OD1-CB 3.33Å; N827-L856 PolarHBondContact OD1-N 2.89Å; L856-V860 HydrophobicContact CD1-CB 4.04Å; L856-V860 HydrophobicContact CD1-CG1 3.78Å; L856-V860 HydrophobicContact CD1-CG2 4.12Å; L856-V863 HydrophobicContact CD1-CG2 3.62Å; L856-V863 HydrophobicContact CD2-CG2 4.43Å; L856-F875 HydrophobicContact CD2-CD1 3.87Å; L856-F875 HydrophobicContact CD2-CE1 4.03Å; L856-F878 HydrophobicContact CB-CE1 4.11Å; L856-F878 HydrophobicContact CD2-CB 4.45Å; L856-F878 HydrophobicContact CD2-CD1 3.4Å; L856-F878 HydrophobicContact CD2-CE1 3.85Å; L856-F878 HydrophobicContact CD2-CG 4.12Å; L856-F878 HydrophobicContact CG-CD1 3.82Å; L856-F878 HydrophobicContact CG-CE1 3.85Å; L856-F882 HydrophobicContact CG-CZ 4.11Å; L856-F886 HydrophobicContact CD1-CD1 4.25Å; L856-F886 HydrophobicContact CD1-CE1 4.02Å; L856-F886 HydrophobicContact CD1-CZ 4.33Å; L856-F886 HydrophobicContact CD2-CE1 4.17Å; L856-F886 HydrophobicContact CD2-CZ 3.98Å; L856-F886 HydrophobicContact CG-CE1 4.32Å
857	A	87.6	Confident	88	Confident	53 Å²	53	41.6 Å²	41.6	44%	0.438	24%	0.237	S	C	.	.			trans	-139.4	164.5	-176.9	0	0	0	0	0	111.8	C855 G859 V860 F882	C855-A857 PolarHBondContact O-N 3.47Å; A857-G859 PolarHBondContact O-N 3.13Å; A857-V860 VanDerWaalsContact O-CG2 3.31Å; A857-V860 WeakPolarHBondContact O-CG2 3.49Å; A857-V860 PolarHBondContact O-N 2.87Å; A857-V860 VanDerWaalsContact O-N 3.14Å; A857-F882 VanDerWaalsContact O-CE1 3.26Å; A857-F882 WeakPolarHBondContact O-CE1 3.49Å
858	E	86.1	Confident	87.7	Confident	104 Å²	104	39.9 Å²	39.9	49%	0.486	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	129.4	-176.2	-166	72.3	-142.8	0	0	111	K883 R884	E858-K883 WeakPolarHBondContact OE1-CB 3.22Å; E858-K883 PolarHBondContact OE1-N 3.47Å; E858-K883 PolarHBondContact OE2-N 3.31Å; E858-R884 PolarHBondContact OE1-N 2.84Å
859	G	83.5	Confident	87.6	Confident	48 Å²	48	42.7 Å²	42.7	50%	0.495	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.2	-11.3	-173.1	0	0	0	0	0	114.9	A857 S861	A857-G859 PolarHBondContact O-N 3.13Å; G859-S861 PolarHBondContact O-N 2.99Å
860	V	90.9	Very high	87.5	Confident	7 Å²	7	46.3 Å²	46.3	4%	0.042	27%	0.271	C	S	.	.			trans	-62.8	130.2	167.5	173.2	0	0	0	0	110	T817 V853 L856 A857 H862 V863 F886	T817-V860 HydrophobicContact CG2-CG2 4.23Å; V853-V860 HydrophobicContact CG2-CG2 3.64Å; L856-V860 HydrophobicContact CD1-CB 4.04Å; L856-V860 HydrophobicContact CD1-CG1 3.78Å; L856-V860 HydrophobicContact CD1-CG2 4.12Å; A857-V860 VanDerWaalsContact O-CG2 3.31Å; A857-V860 WeakPolarHBondContact O-CG2 3.49Å; A857-V860 PolarHBondContact O-N 2.87Å; A857-V860 VanDerWaalsContact O-N 3.14Å; V860-H862 WeakPolarHBondContact CG1-O 3.2Å; V860-V863 HydrophobicContact CG1-CG2 4.4Å; V860-F886 HydrophobicContact CG1-CB 4.31Å; V860-F886 WeakPolarHBondContact O-CB 3.44Å
861	S	91.6	Very high	87.1	Confident	29 Å²	29	48 Å²	48	20%	0.203	28%	0.276	C	S	.	.			trans	-92.5	-39.6	-179.8	64.2	0	0	0	0	112.4	T817 G859 F886 K887	T817-S861 PolarHBondContact N-OG 3.28Å; T817-S861 PolarHBondContact O-N 3.34Å; T817-S861 PolarHBondContact O-OG 3.32Å; G859-S861 PolarHBondContact O-N 2.99Å; S861-F886 CarbonylContact O-C 3.57Å; S861-F886 VanDerWaalsContact O-CA 3.25Å; S861-F886 WeakPolarHBondContact O-CA 3.5Å; S861-F886 WeakPolarHBondContact O-CB 3.4Å; S861-K887 PolarHBondContact O-N 3.41Å
862	H	94	Very high	86.9	Confident	10 Å²	10	42.7 Å²	42.7	5%	0.046	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141	-172.4	-65.5	82.2	0	0	0	111.2	H816 T817 V818 Y819 V860 I864 K887 L889 E906	H816-H862 AromaticContact CD2-CE1 3.4Å; H816-H862 PolarHBondContact CD2-CE1 3.12Å; H816-H862 AromaticContact CD2-ND1 3.47Å; H816-H862 PolarHBondContact CD2-ND1 2.95Å; T817-H862 PolarHBondContact O-N 3.02Å; V818-H862 WeakPolarHBondContact CA-O 3.23Å; V818-H862 HydrophobicContact CG1-CB 4.33Å; V818-H862 HydrophobicContact CG2-CB 4.32Å; Y819-H862 PolarHBondContact N-O 3.42Å; V860-H862 WeakPolarHBondContact CG1-O 3.2Å; H862-I864 HydrophobicContact CB-CD1 4.46Å; H862-K887 CarbonylContact C-O 3.6Å; H862-K887 WeakPolarHBondContact CA-O 3.29Å; H862-L889 VanDerWaalsContact CD2-CD1 3.44Å; H862-L889 WeakPolarHBondContact CD2-CD1 3.4Å; H862-E906 IonicContact CE1-OE1 2.88Å; H862-E906 IonicContact NE2-OE1 2.86Å; H862-E906 PolarHBondContact NE2-OE1 2.83Å; H862-E906 IonicContact NE2-OE2 3.39Å; H862-E906 PolarHBondContact NE2-OE2 3.46Å
863	V	93.6	Very high	86.6	Confident	0 Å²	0	45 Å²	45	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.2	167.4	171.1	0	0	0	0	107.6	Y819 L856 V860 I865 F875 F886 K887 I888 L889	Y819-V863 HydrophobicContact CD1-CG1 4.29Å; Y819-V863 HydrophobicContact CD1-CG2 4.26Å; Y819-V863 CarbonylContact O-C 3.58Å; Y819-V863 VanDerWaalsContact O-CA 3.28Å; Y819-V863 WeakPolarHBondContact O-CA 3.36Å; L856-V863 HydrophobicContact CD1-CG2 3.62Å; L856-V863 HydrophobicContact CD2-CG2 4.43Å; V860-V863 HydrophobicContact CG1-CG2 4.4Å; V863-I865 HydrophobicContact CG1-CG1 4.08Å; V863-F875 HydrophobicContact CG1-CD1 4Å; V863-F875 HydrophobicContact CG1-CE1 4.16Å; V863-F875 HydrophobicContact CG1-CG 4.21Å; V863-F886 HydrophobicContact CB-CD2 3.89Å; V863-F886 HydrophobicContact CB-CE2 3.96Å; V863-F886 HydrophobicContact CG2-CD2 3.31Å; V863-F886 HydrophobicContact CG2-CE2 3.35Å; V863-F886 HydrophobicContact CG2-CG 3.96Å; V863-F886 HydrophobicContact CG2-CZ 4.01Å; V863-K887 PolarHBondContact N-O 3.08Å; V863-I888 HydrophobicContact CB-CG1 4.49Å; V863-I888 WeakPolarHBondContact O-CA 3.33Å; V863-L889 PolarHBondContact O-N 3.14Å
864	I	92.9	Very high	86.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.2	177.8	-51.7	-56.9	0	0	0	108.9	V818 Y819 L820 D821 L838 L845 H862 L889 E891 W893 V894	V818-I864 HydrophobicContact CG1-CD1 4.31Å; V818-I864 HydrophobicContact CG1-CG1 3.5Å; V818-I864 VanDerWaalsContact CG1-CG1 3.5Å; Y819-I864 PolarHBondContact O-N 3.01Å; L820-I864 HydrophobicContact CD2-CB 4.44Å; L820-I864 HydrophobicContact CG-CB 4.17Å; D821-I864 PolarHBondContact N-O 3.3Å; L838-I864 HydrophobicContact CD2-CG2 4.12Å; L845-I864 HydrophobicContact CD1-CG1 4.49Å; H862-I864 HydrophobicContact CB-CD1 4.46Å; I864-L889 WeakPolarHBondContact CA-O 3.41Å; I864-L889 HydrophobicContact CD1-CB 3.88Å; I864-L889 HydrophobicContact CD1-CD1 4.4Å; I864-E891 HydrophobicContact CG2-CB 3.88Å; I864-W893 HydrophobicContact CD1-CE3 3.92Å; I864-W893 HydrophobicContact CD1-CZ3 4.22Å; I864-V894 HydrophobicContact CD1-CG2 4.3Å; I864-V894 HydrophobicContact CG1-CG2 4.29Å; I864-V894 HydrophobicContact CG2-CG2 4.41Å
865	I	89.7	Confident	86.6	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	141.6	178	-55.3	-178.8	0	0	0	108.5	V863 D868 V872 F875 I888 L889 E891 I911	V863-I865 HydrophobicContact CG1-CG1 4.08Å; I865-D868 VanDerWaalsContact CG2-O 3.29Å; I865-D868 WeakPolarHBondContact CG2-O 3.41Å; I865-V872 HydrophobicContact CD1-CG2 3.69Å; I865-F875 HydrophobicContact CD1-CD2 3.7Å; I865-F875 HydrophobicContact CD1-CE2 4.26Å; I865-F875 HydrophobicContact CD1-CG 4.43Å; I865-F875 HydrophobicContact CG1-CD2 4.35Å; I865-F875 HydrophobicContact CG1-CE2 4.48Å; I865-I888 HydrophobicContact CD1-CG2 3.3Å; I865-I888 HydrophobicContact CG1-CG2 3.92Å; I865-L889 PolarHBondContact N-O 3.4Å; I865-E891 PolarHBondContact O-N 2.81Å; I865-I911 HydrophobicContact CB-CD1 4.25Å
866	G	83.4	Confident	86.7	Confident	11 Å²	11	46.4 Å²	46.4	11%	0.113	27%	0.271	C	S	.	.			trans	-76.2	-163.4	175.4	0	0	0	0	0	111.7	D868 H869	G866-D868 PolarHBondContact O-N 3.46Å; G866-H869 PolarHBondContact O-CD2 3.23Å; G866-H869 VanDerWaalsContact O-CD2 3.31Å
867	E	79.4	Confident	86.7	Confident	146 Å²	146	48.6 Å²	48.6	68%	0.682	29%	0.289	S	S	*	.	S	Bend	trans	-66.6	-21.8	-178.8	-65	177.4	-178.9	0	0	113.3	R837 H869	R837-E867 IonicContact CZ-OE1 3.37Å; R837-E867 IonicContact NH1-OE1 2.74Å; R837-E867 PolarHBondContact NH1-OE1 3.31Å; R837-E867 IonicContact NH1-OE2 3.47Å; R837-E867 IonicContact NH2-OE1 2.68Å; R837-E867 PolarHBondContact NH2-OE1 3.38Å; E867-H869 PolarHBondContact O-N 3.42Å
868	D	79.9	Confident	86.6	Confident	108 Å²	108	49.1 Å²	49.1	58%	0.578	28%	0.282	S	S	*	.			trans	-82.5	109.9	174	-176.2	3.5	0	0	0	111.4	I865 G866 S870	I865-D868 VanDerWaalsContact CG2-O 3.29Å; I865-D868 WeakPolarHBondContact CG2-O 3.41Å; G866-D868 PolarHBondContact O-N 3.46Å; D868-S870 VanDerWaalsContact CG-OG 3.26Å; D868-S870 WeakPolarHBondContact OD1-CB 3.45Å; D868-S870 PolarHBondContact OD1-N 3.02Å; D868-S870 PolarHBondContact OD1-OG 3.3Å; D868-S870 PolarHBondContact OD2-OG 3.49Å
869	H	83.7	Confident	86.7	Confident	81 Å²	81	48.6 Å²	48.6	38%	0.375	28%	0.276	S	S	.	.			trans	-96.5	6.5	-179.5	-67.2	-174.1	0	0	0	113.6	G866 E867 R871 V872	G866-H869 PolarHBondContact O-CD2 3.23Å; G866-H869 VanDerWaalsContact O-CD2 3.31Å; E867-H869 PolarHBondContact O-N 3.42Å; H869-R871 PolarHBondContact O-N 2.89Å; H869-R871 VanDerWaalsContact O-N 3.1Å; H869-V872 HydrophobicContact CB-CG2 3.84Å; H869-V872 WeakPolarHBondContact O-CB 3.19Å; H869-V872 VanDerWaalsContact O-CG2 3.22Å; H869-V872 WeakPolarHBondContact O-CG2 3.35Å; H869-V872 PolarHBondContact O-N 2.69Å; H869-V872 VanDerWaalsContact O-N 3.17Å
870	S	81.3	Confident	86.9	Confident	85 Å²	85	55.7 Å²	55.7	59%	0.594	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-30	-176.6	59.5	0	0	0	0	113.4	D868	D868-S870 VanDerWaalsContact CG-OG 3.26Å; D868-S870 WeakPolarHBondContact OD1-CB 3.45Å; D868-S870 PolarHBondContact OD1-N 3.02Å; D868-S870 PolarHBondContact OD1-OG 3.3Å; D868-S870 PolarHBondContact OD2-OG 3.49Å
871	R	79.3	Confident	86.8	Confident	43 Å²	43	60.3 Å²	60.3	16%	0.162	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	5.7	-175.8	-61.8	179.5	67.3	-162	6.6	115.1	D821 Y823 V824 H869 A873 D874 F875	D821-R871 IonicContact OD1-CZ 2.88Å; D821-R871 IonicContact OD1-NH1 2.71Å; D821-R871 PolarHBondContact OD1-NH1 3.36Å; D821-R871 IonicContact OD1-NH2 3.19Å; D821-R871 IonicContact OD2-NH1 2.82Å; D821-R871 PolarHBondContact OD2-NH1 2.95Å; Y823-R871 PolarHBondContact O-NH1 2.75Å; Y823-R871 PolarHBondContact O-NH2 3.47Å; Y823-R871 VanDerWaalsContact O-NH2 3.1Å; V824-R871 VanDerWaalsContact O-CZ 3.25Å; V824-R871 PolarHBondContact O-NH2 3.25Å; H869-R871 PolarHBondContact O-N 2.89Å; H869-R871 VanDerWaalsContact O-N 3.1Å; R871-A873 PolarHBondContact O-N 2.82Å; R871-D874 WeakPolarHBondContact O-CB 3.44Å; R871-D874 PolarHBondContact O-N 2.72Å; R871-D874 VanDerWaalsContact O-N 3.11Å; R871-F875 HydrophobicContact CB-CD2 4.5Å; R871-F875 HydrophobicContact CB-CE2 4.28Å; R871-F875 VanDerWaalsContact O-CD2 3.28Å; R871-F875 WeakPolarHBondContact O-CD2 3.25Å; R871-F875 PolarHBondContact O-N 2.81Å
872	V	86.6	Confident	86.5	Confident	13 Å²	13	59.7 Å²	59.7	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-59.1	-35.7	177.7	171.4	0	0	0	0	111.6	I865 H869 D874 F875 K876 I911	I865-V872 HydrophobicContact CD1-CG2 3.69Å; H869-V872 HydrophobicContact CB-CG2 3.84Å; H869-V872 WeakPolarHBondContact O-CB 3.19Å; H869-V872 VanDerWaalsContact O-CG2 3.22Å; H869-V872 WeakPolarHBondContact O-CG2 3.35Å; H869-V872 PolarHBondContact O-N 2.69Å; H869-V872 VanDerWaalsContact O-N 3.17Å; V872-D874 VanDerWaalsContact C-N 3.32Å; V872-D874 PolarHBondContact O-N 2.78Å; V872-F875 PolarHBondContact O-N 3.43Å; V872-K876 HydrophobicContact CG1-CD 3.99Å; V872-K876 HydrophobicContact CG1-CG 4.35Å; V872-K876 WeakPolarHBondContact O-CB 3.15Å; V872-K876 WeakPolarHBondContact O-CG 3.26Å; V872-K876 PolarHBondContact O-N 3.44Å; V872-I911 HydrophobicContact CG1-CG2 3.86Å; V872-I911 HydrophobicContact CG2-CG2 3.8Å
873	A	85.4	Confident	86	Confident	69 Å²	69	68.7 Å²	68.7	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-61.8	-40.6	177.5	0	0	0	0	0	111.9	R871 K876 A877	R871-A873 PolarHBondContact O-N 2.82Å; A873-K876 PolarHBondContact O-N 3.37Å; A873-A877 PolarHBondContact O-N 2.72Å
874	D	86.7	Confident	85.6	Confident	87 Å²	87	77.8 Å²	77.8	47%	0.465	38%	0.383	S	S	.	.	H	α-helix	trans	-67.4	-43.9	178.7	-59.2	-29.9	0	0	0	111	I826 R871 V872 K876 A877 F878	I826-D874 HydrophobicContact CD1-CB 4.11Å; R871-D874 WeakPolarHBondContact O-CB 3.44Å; R871-D874 PolarHBondContact O-N 2.72Å; R871-D874 VanDerWaalsContact O-N 3.11Å; V872-D874 VanDerWaalsContact C-N 3.32Å; V872-D874 PolarHBondContact O-N 2.78Å; D874-K876 VanDerWaalsContact C-N 3.34Å; D874-K876 PolarHBondContact O-N 3.41Å; D874-A877 WeakPolarHBondContact O-CB 3.41Å; D874-A877 PolarHBondContact O-N 3.46Å; D874-F878 WeakPolarHBondContact O-CB 3.31Å; D874-F878 PolarHBondContact O-N 3.31Å
875	F	88.8	Confident	85.5	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-64.7	-36.5	174.1	-72.4	-64.8	0	0	0	112.6	Y819 D821 I826 L856 V863 I865 R871 V872 A877 F878 R879 I888	Y819-F875 HydrophobicContact CD1-CE1 4.23Å; Y819-F875 AromaticContact CE1-CE1 3.71Å; Y819-F875 HydrophobicContact CE1-CE1 3.71Å; Y819-F875 HydrophobicContact CE1-CZ 4.01Å; D821-F875 HydrophobicContact CB-CE2 3.86Å; D821-F875 HydrophobicContact CB-CZ 3.81Å; D821-F875 VanDerWaalsContact CG-CE2 3.47Å; D821-F875 WeakPolarHBondContact OD1-CZ 3.48Å; I826-F875 HydrophobicContact CD1-CD1 3.94Å; I826-F875 HydrophobicContact CD1-CE1 3.7Å; I826-F875 HydrophobicContact CD1-CG 4.49Å; I826-F875 HydrophobicContact CD1-CZ 4.07Å; I826-F875 HydrophobicContact CG1-CE1 4.03Å; I826-F875 HydrophobicContact CG1-CZ 4.15Å; I826-F875 HydrophobicContact CG2-CE1 4.42Å; L856-F875 HydrophobicContact CD2-CD1 3.87Å; L856-F875 HydrophobicContact CD2-CE1 4.03Å; V863-F875 HydrophobicContact CG1-CD1 4Å; V863-F875 HydrophobicContact CG1-CE1 4.16Å; V863-F875 HydrophobicContact CG1-CG 4.21Å; I865-F875 HydrophobicContact CD1-CD2 3.7Å; I865-F875 HydrophobicContact CD1-CE2 4.26Å; I865-F875 HydrophobicContact CD1-CG 4.43Å; I865-F875 HydrophobicContact CG1-CD2 4.35Å; I865-F875 HydrophobicContact CG1-CE2 4.48Å; R871-F875 HydrophobicContact CB-CD2 4.5Å; R871-F875 HydrophobicContact CB-CE2 4.28Å; R871-F875 VanDerWaalsContact O-CD2 3.28Å; R871-F875 WeakPolarHBondContact O-CD2 3.25Å; R871-F875 PolarHBondContact O-N 2.81Å; V872-F875 PolarHBondContact O-N 3.43Å; F875-A877 VanDerWaalsContact C-N 3.34Å; F875-F878 PolarHBondContact O-N 2.94Å; F875-R879 WeakPolarHBondContact O-CB 3.31Å; F875-R879 PolarHBondContact O-N 2.95Å; F875-I888 HydrophobicContact CB-CD1 3.89Å
876	K	89.2	Confident	85.6	Confident	76 Å²	76	82.3 Å²	82.3	33%	0.33	40%	0.402	S	S	.	.	H	α-helix	trans	-66	-36	173.3	-75.9	178.6	-179.5	175.2	0	111.6	V872 A873 D874 R880 I888 I911	V872-K876 HydrophobicContact CG1-CD 3.99Å; V872-K876 HydrophobicContact CG1-CG 4.35Å; V872-K876 WeakPolarHBondContact O-CB 3.15Å; V872-K876 WeakPolarHBondContact O-CG 3.26Å; V872-K876 PolarHBondContact O-N 3.44Å; A873-K876 PolarHBondContact O-N 3.37Å; D874-K876 VanDerWaalsContact C-N 3.34Å; D874-K876 PolarHBondContact O-N 3.41Å; K876-R880 WeakPolarHBondContact O-CG 3.47Å; K876-R880 PolarHBondContact O-N 2.86Å; K876-I888 HydrophobicContact CG-CD1 3.79Å; K876-I911 WeakPolarHBondContact CE-O 3.35Å; K876-I911 PolarHBondContact NZ-O 2.71Å; K876-I911 PolarHBondContact NZ-OXT 3.33Å
877	A	86.9	Confident	86.1	Confident	50 Å²	50	85.6 Å²	85.6	41%	0.413	41%	0.413	S	S	.	.	H	α-helix	trans	-67.2	-46.3	173	0	0	0	0	0	111.5	A873 D874 F875 R879 R880	A873-A877 PolarHBondContact O-N 2.72Å; D874-A877 WeakPolarHBondContact O-CB 3.41Å; D874-A877 PolarHBondContact O-N 3.46Å; F875-A877 VanDerWaalsContact C-N 3.34Å; A877-R879 VanDerWaalsContact C-N 3.34Å; A877-R879 PolarHBondContact O-N 3.25Å; A877-R880 WeakPolarHBondContact O-CB 3.36Å; A877-R880 PolarHBondContact O-N 3.24Å; A877-R880 VanDerWaalsContact O-N 3.08Å
878	F	84.6	Confident	86.7	Confident	64 Å²	64	78.8 Å²	78.8	28%	0.281	38%	0.382	S	S	.	.	H	α-helix	trans	-62.9	-39.8	176.9	-147.4	-95.8	0	0	0	111.8	I826 L856 D874 F875 R880 T881 F882	I826-F878 HydrophobicContact CG2-CE2 4.45Å; L856-F878 HydrophobicContact CB-CE1 4.11Å; L856-F878 HydrophobicContact CD2-CB 4.45Å; L856-F878 HydrophobicContact CD2-CD1 3.4Å; L856-F878 HydrophobicContact CD2-CE1 3.85Å; L856-F878 HydrophobicContact CD2-CG 4.12Å; L856-F878 HydrophobicContact CG-CD1 3.82Å; L856-F878 HydrophobicContact CG-CE1 3.85Å; D874-F878 WeakPolarHBondContact O-CB 3.31Å; D874-F878 PolarHBondContact O-N 3.31Å; F875-F878 PolarHBondContact O-N 2.94Å; F878-R880 PolarHBondContact O-N 2.92Å; F878-R880 VanDerWaalsContact O-N 3.14Å; F878-T881 PolarHBondContact O-N 2.88Å; F878-T881 PolarHBondContact O-OG1 3.18Å; F878-F882 HydrophobicContact CD1-CD2 4.24Å; F878-F882 AromaticContact CD1-CE2 3.36Å; F878-F882 HydrophobicContact CD1-CE2 3.36Å; F878-F882 AromaticContact CD1-CZ 3.9Å; F878-F882 HydrophobicContact CD1-CZ 3.9Å; F878-F882 AromaticContact CE1-CE2 3.32Å; F878-F882 HydrophobicContact CE1-CE2 3.32Å; F878-F882 AromaticContact CE1-CZ 3.63Å; F878-F882 HydrophobicContact CE1-CZ 3.63Å; F878-F882 HydrophobicContact CG-CE2 4.5Å; F878-F882 HydrophobicContact CZ-CE2 4.41Å; F878-F882 WeakPolarHBondContact O-CD2 3.33Å
879	R	89.3	Confident	87.4	Confident	93 Å²	93	73.6 Å²	73.6	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-56	-31.7	173.6	-173.5	-179.8	-178.3	-137.7	-1.7	112.4	F875 A877 T881 F882 K885 F886	F875-R879 WeakPolarHBondContact O-CB 3.31Å; F875-R879 PolarHBondContact O-N 2.95Å; A877-R879 VanDerWaalsContact C-N 3.34Å; A877-R879 PolarHBondContact O-N 3.25Å; R879-T881 VanDerWaalsContact C-N 3.28Å; R879-T881 PolarHBondContact O-N 2.82Å; R879-F882 PolarHBondContact O-N 3.22Å; R879-K885 HydrophobicContact CG-CB 4.25Å; R879-K885 HydrophobicContact CG-CD 4.12Å; R879-K885 WeakPolarHBondContact O-CD 3.42Å; R879-K885 WeakPolarHBondContact O-CE 3.49Å; R879-K885 PolarHBondContact O-NZ 2.81Å; R879-F886 HydrophobicContact CB-CE1 3.9Å; R879-F886 HydrophobicContact CB-CE2 3.96Å; R879-F886 HydrophobicContact CB-CZ 3.54Å; R879-F886 WeakPolarHBondContact CD-O 3.27Å; R879-F886 HydrophobicContact CG-CD1 4.47Å; R879-F886 HydrophobicContact CG-CD2 4.46Å; R879-F886 HydrophobicContact CG-CE1 4.23Å; R879-F886 HydrophobicContact CG-CE2 4.22Å; R879-F886 HydrophobicContact CG-CZ 4.11Å; R879-F886 PolarHBondContact NE-O 3.45Å; R879-F886 PolarHBondContact NH2-O 2.79Å
880	R	88.4	Confident	87.8	Confident	196 Å²	196	74 Å²	74	74%	0.74	35%	0.354	S	S	*	.	H	α-helix	trans	-67.4	-27	178.7	-69	170.6	-174.8	171.5	1.3	112.6	K876 A877 F878 F882 K885	K876-R880 WeakPolarHBondContact O-CG 3.47Å; K876-R880 PolarHBondContact O-N 2.86Å; A877-R880 WeakPolarHBondContact O-CB 3.36Å; A877-R880 PolarHBondContact O-N 3.24Å; A877-R880 VanDerWaalsContact O-N 3.08Å; F878-R880 PolarHBondContact O-N 2.92Å; F878-R880 VanDerWaalsContact O-N 3.14Å; R880-F882 VanDerWaalsContact C-N 3.34Å; R880-K885 VanDerWaalsContact C-NZ 3.3Å; R880-K885 PolarHBondContact O-NZ 2.73Å
881	T	86.9	Confident	88.2	Confident	104 Å²	104	70.6 Å²	70.6	64%	0.638	33%	0.329	S	S	*	.	H	α-helix	trans	-79.4	-14.8	-178.3	69.9	0	0	0	0	113.7	F878 R879	F878-T881 PolarHBondContact O-N 2.88Å; F878-T881 PolarHBondContact O-OG1 3.18Å; R879-T881 VanDerWaalsContact C-N 3.28Å; R879-T881 PolarHBondContact O-N 2.82Å
882	F	85.4	Confident	88.7	Confident	16 Å²	16	70.7 Å²	70.7	7%	0.07	34%	0.336	C	S	.	.			trans	-87.6	147.6	-175.3	-79	-130.7	0	0	0	112.6	L856 A857 F878 R879 R880 K885 F886	L856-F882 HydrophobicContact CG-CZ 4.11Å; A857-F882 VanDerWaalsContact O-CE1 3.26Å; A857-F882 WeakPolarHBondContact O-CE1 3.49Å; F878-F882 HydrophobicContact CD1-CD2 4.24Å; F878-F882 AromaticContact CD1-CE2 3.36Å; F878-F882 HydrophobicContact CD1-CE2 3.36Å; F878-F882 AromaticContact CD1-CZ 3.9Å; F878-F882 HydrophobicContact CD1-CZ 3.9Å; F878-F882 AromaticContact CE1-CE2 3.32Å; F878-F882 HydrophobicContact CE1-CE2 3.32Å; F878-F882 AromaticContact CE1-CZ 3.63Å; F878-F882 HydrophobicContact CE1-CZ 3.63Å; F878-F882 HydrophobicContact CG-CE2 4.5Å; F878-F882 HydrophobicContact CZ-CE2 4.41Å; F878-F882 WeakPolarHBondContact O-CD2 3.33Å; R879-F882 PolarHBondContact O-N 3.22Å; R880-F882 VanDerWaalsContact C-N 3.34Å; F882-K885 PolarHBondContact O-NZ 2.86Å; F882-F886 HydrophobicContact CD1-CD1 4.2Å; F882-F886 HydrophobicContact CD1-CE1 4.38Å; F882-F886 HydrophobicContact CE1-CD1 4.38Å; F882-F886 HydrophobicContact CE1-CE1 4.4Å; F882-F886 HydrophobicContact CG-CE1 4.43Å
883	K	84.9	Confident	89.1	Confident	199 Å²	199	70 Å²	70	87%	0.865	33%	0.333	S	S	*	.	S	Bend	trans	-72.3	-45.7	174.9	-68.9	-179.9	179.8	177.2	0	111	E858	E858-K883 WeakPolarHBondContact OE1-CB 3.22Å; E858-K883 PolarHBondContact OE1-N 3.47Å; E858-K883 PolarHBondContact OE2-N 3.31Å
884	R	85.4	Confident	89.4	Confident	191 Å²	191	66.8 Å²	66.8	72%	0.721	31%	0.305	S	S	*	.	S	Bend	trans	-100.8	121.5	172.3	-170.2	175.2	179.5	-179.9	-1.1	110.2	E858 F886	E858-R884 PolarHBondContact OE1-N 2.84Å; R884-F886 PolarHBondContact O-N 3.18Å
885	K	90	Very high	89.6	Confident	95 Å²	95	64.3 Å²	64.3	41%	0.413	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-77.4	120.3	-176.8	-54.2	-51.4	-172.4	-168.5	0	110.4	R879 R880 F882	R879-K885 HydrophobicContact CG-CB 4.25Å; R879-K885 HydrophobicContact CG-CD 4.12Å; R879-K885 WeakPolarHBondContact O-CD 3.42Å; R879-K885 WeakPolarHBondContact O-CE 3.49Å; R879-K885 PolarHBondContact O-NZ 2.81Å; R880-K885 VanDerWaalsContact C-NZ 3.3Å; R880-K885 PolarHBondContact O-NZ 2.73Å; F882-K885 PolarHBondContact O-NZ 2.86Å
886	F	91.8	Very high	89.7	Confident	1 Å²	1	66.8 Å²	66.8	0%	0.004	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-70.8	158.6	168.3	56.2	-98.3	0	0	0	111.2	L856 V860 S861 V863 R879 F882 R884 I888	L856-F886 HydrophobicContact CD1-CD1 4.25Å; L856-F886 HydrophobicContact CD1-CE1 4.02Å; L856-F886 HydrophobicContact CD1-CZ 4.33Å; L856-F886 HydrophobicContact CD2-CE1 4.17Å; L856-F886 HydrophobicContact CD2-CZ 3.98Å; L856-F886 HydrophobicContact CG-CE1 4.32Å; V860-F886 HydrophobicContact CG1-CB 4.31Å; V860-F886 WeakPolarHBondContact O-CB 3.44Å; S861-F886 CarbonylContact O-C 3.57Å; S861-F886 VanDerWaalsContact O-CA 3.25Å; S861-F886 WeakPolarHBondContact O-CA 3.5Å; S861-F886 WeakPolarHBondContact O-CB 3.4Å; V863-F886 HydrophobicContact CB-CD2 3.89Å; V863-F886 HydrophobicContact CB-CE2 3.96Å; V863-F886 HydrophobicContact CG2-CD2 3.31Å; V863-F886 HydrophobicContact CG2-CE2 3.35Å; V863-F886 HydrophobicContact CG2-CG 3.96Å; V863-F886 HydrophobicContact CG2-CZ 4.01Å; R879-F886 HydrophobicContact CB-CE1 3.9Å; R879-F886 HydrophobicContact CB-CE2 3.96Å; R879-F886 HydrophobicContact CB-CZ 3.54Å; R879-F886 WeakPolarHBondContact CD-O 3.27Å; R879-F886 HydrophobicContact CG-CD1 4.47Å; R879-F886 HydrophobicContact CG-CD2 4.46Å; R879-F886 HydrophobicContact CG-CE1 4.23Å; R879-F886 HydrophobicContact CG-CE2 4.22Å; R879-F886 HydrophobicContact CG-CZ 4.11Å; R879-F886 PolarHBondContact NE-O 3.45Å; R879-F886 PolarHBondContact NH2-O 2.79Å; F882-F886 HydrophobicContact CD1-CD1 4.2Å; F882-F886 HydrophobicContact CD1-CE1 4.38Å; F882-F886 HydrophobicContact CE1-CD1 4.38Å; F882-F886 HydrophobicContact CE1-CE1 4.4Å; F882-F886 HydrophobicContact CG-CE1 4.43Å; R884-F886 PolarHBondContact O-N 3.18Å; F886-I888 HydrophobicContact CD2-CG1 4.03Å; F886-I888 HydrophobicContact CE2-CD1 4.17Å; F886-I888 HydrophobicContact CE2-CG1 3.79Å
887	K	93.1	Very high	89.8	Confident	80 Å²	80	63.1 Å²	63.1	35%	0.348	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	142.5	172.7	-67.8	178.5	-177.4	-176.5	0	110.1	S861 H862 V863 L889 E906 L910	S861-K887 PolarHBondContact O-N 3.41Å; H862-K887 CarbonylContact C-O 3.6Å; H862-K887 WeakPolarHBondContact CA-O 3.29Å; V863-K887 PolarHBondContact N-O 3.08Å; K887-L889 HydrophobicContact CB-CG 4.48Å; K887-E906 WeakPolarHBondContact CD-OE2 3.42Å; K887-E906 VanDerWaalsContact CE-OE2 3.27Å; K887-E906 WeakPolarHBondContact CE-OE2 3.28Å; K887-E906 IonicContact NZ-OE2 2.61Å; K887-E906 PolarHBondContact NZ-OE2 3.06Å; K887-L910 HydrophobicContact CB-CD2 3.98Å; K887-L910 HydrophobicContact CD-CD2 4.45Å; K887-L910 HydrophobicContact CG-CD2 4.26Å
888	I	93.2	Very high	90	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.8	177.7	-56.5	175.2	0	0	0	106.6	V863 I865 F875 K876 F886 L910 I911	V863-I888 HydrophobicContact CB-CG1 4.49Å; V863-I888 WeakPolarHBondContact O-CA 3.33Å; I865-I888 HydrophobicContact CD1-CG2 3.3Å; I865-I888 HydrophobicContact CG1-CG2 3.92Å; F875-I888 HydrophobicContact CB-CD1 3.89Å; K876-I888 HydrophobicContact CG-CD1 3.79Å; F886-I888 HydrophobicContact CD2-CG1 4.03Å; F886-I888 HydrophobicContact CE2-CD1 4.17Å; F886-I888 HydrophobicContact CE2-CG1 3.79Å; I888-L910 WeakPolarHBondContact O-CA 3.36Å; I888-I911 HydrophobicContact CG2-CB 4.13Å; I888-I911 HydrophobicContact CG2-CD1 4.5Å; I888-I911 PolarHBondContact O-N 3.15Å
889	L	93.9	Very high	90.3	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153.5	-173.9	-56.7	178.8	0	0	0	111.5	H862 V863 I864 I865 K887 W893 E906 Y909 L910	H862-L889 VanDerWaalsContact CD2-CD1 3.44Å; H862-L889 WeakPolarHBondContact CD2-CD1 3.4Å; V863-L889 PolarHBondContact O-N 3.14Å; I864-L889 WeakPolarHBondContact CA-O 3.41Å; I864-L889 HydrophobicContact CD1-CB 3.88Å; I864-L889 HydrophobicContact CD1-CD1 4.4Å; I865-L889 PolarHBondContact N-O 3.4Å; K887-L889 HydrophobicContact CB-CG 4.48Å; L889-W893 HydrophobicContact CD1-CB 4.47Å; L889-W893 HydrophobicContact CD1-CD2 3.49Å; L889-W893 VanDerWaalsContact CD1-CD2 3.49Å; L889-W893 HydrophobicContact CD1-CE3 3.51Å; L889-W893 HydrophobicContact CD1-CG 3.93Å; L889-W893 HydrophobicContact CD1-CH2 4.25Å; L889-W893 HydrophobicContact CD1-CZ2 4.26Å; L889-W893 HydrophobicContact CD1-CZ3 3.9Å; L889-E906 HydrophobicContact CD1-CB 4.34Å; L889-E906 HydrophobicContact CD1-CG 4.12Å; L889-E906 HydrophobicContact CD2-CB 4.19Å; L889-Y909 CarbonylContact C-O 2.85Å; L889-Y909 VanDerWaalsContact CA-O 3.31Å; L889-Y909 WeakPolarHBondContact CA-O 3.49Å; L889-L910 HydrophobicContact CD2-CB 4.38Å; L889-L910 HydrophobicContact CD2-CD2 3.56Å; L889-L910 HydrophobicContact CD2-CG 3.77Å
890	K	91.7	Very high	90.2	Very high	88 Å²	88	68.5 Å²	68.5	38%	0.383	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	148.9	167.9	-64.6	178.1	-176.8	177.6	0	111.1	S892 W893 Y909 I911	K890-S892 PolarHBondContact O-N 3.44Å; K890-S892 VanDerWaalsContact O-N 3.14Å; K890-W893 WeakPolarHBondContact O-CB 3.24Å; K890-W893 PolarHBondContact O-N 3.41Å; K890-W893 VanDerWaalsContact O-N 3.16Å; K890-Y909 PolarHBondContact N-O 2.64Å; K890-I911 HydrophobicContact CB-CD1 4.46Å; K890-I911 HydrophobicContact CG-CD1 3.63Å; K890-I911 HydrophobicContact CG-CG1 3.72Å
891	E	90.8	Very high	90	Very high	15 Å²	15	62.8 Å²	62.8	7%	0.07	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.1	175.6	66	166.2	-146.8	0	0	114.5	R837 L838 I864 I865 W893 V894	R837-E891 IonicContact CZ-OE1 3.17Å; R837-E891 VanDerWaalsContact CZ-OE1 3.26Å; R837-E891 IonicContact NE-OE1 3.54Å; R837-E891 PolarHBondContact NE-OE1 2.81Å; R837-E891 IonicContact NH2-OE1 3.44Å; R837-E891 PolarHBondContact NH2-OE1 3.03Å; L838-E891 HydrophobicContact CD2-CB 3.94Å; L838-E891 WeakPolarHBondContact CD2-OE2 3.31Å; I864-E891 HydrophobicContact CG2-CB 3.88Å; I865-E891 PolarHBondContact O-N 2.81Å; E891-W893 PolarHBondContact O-N 2.84Å; E891-V894 WeakPolarHBondContact O-CB 3.49Å; E891-V894 PolarHBondContact O-N 3.18Å; E891-V894 VanDerWaalsContact O-N 3.13Å
892	S	90.5	Very high	90	Very high	44 Å²	44	64.2 Å²	64.2	31%	0.308	30%	0.298	S	S	.	.	H	α-helix	trans	-63.3	-24.2	176.9	58.2	0	0	0	0	113.6	K890 V894 T895 D896 Y909	K890-S892 PolarHBondContact O-N 3.44Å; K890-S892 VanDerWaalsContact O-N 3.14Å; S892-V894 PolarHBondContact O-N 3.46Å; S892-T895 PolarHBondContact O-N 2.91Å; S892-D896 WeakPolarHBondContact O-CB 3.25Å; S892-D896 VanDerWaalsContact O-CG 3.23Å; S892-D896 PolarHBondContact O-N 3.41Å; S892-Y909 WeakPolarHBondContact OG-CD1 3.15Å
893	W	93.8	Very high	90.1	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-37.4	174.2	178.5	65.3	0	0	0	112.2	F813 H816 I864 L889 K890 E891 S897 L903 Q904 E906 Y909	F813-W893 AromaticContact CD1-CH2 3.92Å; F813-W893 HydrophobicContact CD1-CH2 3.92Å; F813-W893 HydrophobicContact CD1-CZ3 4.12Å; F813-W893 HydrophobicContact CE1-CE3 4.16Å; F813-W893 AromaticContact CE1-CH2 3.63Å; F813-W893 HydrophobicContact CE1-CH2 3.63Å; F813-W893 HydrophobicContact CE1-CZ2 4.07Å; F813-W893 AromaticContact CE1-CZ3 3.66Å; F813-W893 HydrophobicContact CE1-CZ3 3.66Å; H816-W893 AromaticContact CD2-CH2 3.87Å; I864-W893 HydrophobicContact CD1-CE3 3.92Å; I864-W893 HydrophobicContact CD1-CZ3 4.22Å; L889-W893 HydrophobicContact CD1-CB 4.47Å; L889-W893 HydrophobicContact CD1-CD2 3.49Å; L889-W893 VanDerWaalsContact CD1-CD2 3.49Å; L889-W893 HydrophobicContact CD1-CE3 3.51Å; L889-W893 HydrophobicContact CD1-CG 3.93Å; L889-W893 HydrophobicContact CD1-CH2 4.25Å; L889-W893 HydrophobicContact CD1-CZ2 4.26Å; L889-W893 HydrophobicContact CD1-CZ3 3.9Å; K890-W893 WeakPolarHBondContact O-CB 3.24Å; K890-W893 PolarHBondContact O-N 3.41Å; K890-W893 VanDerWaalsContact O-N 3.16Å; E891-W893 PolarHBondContact O-N 2.84Å; W893-S897 VanDerWaalsContact O-CB 3.26Å; W893-S897 WeakPolarHBondContact O-CB 3.46Å; W893-S897 PolarHBondContact O-N 3.32Å; W893-S897 PolarHBondContact O-OG 3.26Å; W893-L903 HydrophobicContact CH2-CD2 4.22Å; W893-L903 HydrophobicContact CZ2-CD2 3.83Å; W893-Q904 PolarHBondContact NE1-O 2.91Å; W893-E906 HydrophobicContact CZ2-CG 3.74Å; W893-Y909 HydrophobicContact CB-CD1 3.82Å; W893-Y909 HydrophobicContact CB-CD2 4.21Å; W893-Y909 HydrophobicContact CB-CE1 4.46Å; W893-Y909 HydrophobicContact CB-CG 3.67Å; W893-Y909 AromaticContact CD1-CD2 3.63Å; W893-Y909 AromaticContact CD1-CG 3.98Å; W893-Y909 HydrophobicContact CG-CD2 4.29Å; W893-Y909 HydrophobicContact CG-CG 4.2Å
894	V	91.3	Very high	90.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68.7	-49.3	178.2	-179.4	0	0	0	0	109.7	F813 K841 L845 I864 E891 S892 S897 I898	F813-V894 HydrophobicContact CZ-CG1 4.47Å; K841-V894 HydrophobicContact CD-CG1 4.39Å; L845-V894 HydrophobicContact CD1-CG1 4.44Å; L845-V894 HydrophobicContact CD1-CG2 4.05Å; L845-V894 HydrophobicContact CD2-CG1 3.89Å; L845-V894 HydrophobicContact CD2-CG2 3.99Å; L845-V894 HydrophobicContact CG-CG1 3.75Å; L845-V894 HydrophobicContact CG-CG2 4.12Å; I864-V894 HydrophobicContact CD1-CG2 4.3Å; I864-V894 HydrophobicContact CG1-CG2 4.29Å; I864-V894 HydrophobicContact CG2-CG2 4.41Å; E891-V894 WeakPolarHBondContact O-CB 3.49Å; E891-V894 PolarHBondContact O-N 3.18Å; E891-V894 VanDerWaalsContact O-N 3.13Å; S892-V894 PolarHBondContact O-N 3.46Å; V894-S897 PolarHBondContact O-N 3.18Å; V894-I898 HydrophobicContact CG1-CD1 3.82Å; V894-I898 WeakPolarHBondContact O-CD1 3.19Å; V894-I898 VanDerWaalsContact O-CG1 3.27Å; V894-I898 WeakPolarHBondContact O-CG1 3.19Å; V894-I898 PolarHBondContact O-N 3.17Å; V894-I898 VanDerWaalsContact O-N 3.09Å
895	T	90.8	Very high	90.6	Very high	35 Å²	35	55.7 Å²	55.7	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-52.4	-179.6	-49.5	0	0	0	0	111.6	K841 S892 S897 I898 D899	K841-T895 WeakPolarHBondContact CE-OG1 3.42Å; K841-T895 PolarHBondContact NZ-OG1 3.45Å; S892-T895 PolarHBondContact O-N 2.91Å; T895-S897 VanDerWaalsContact C-N 3.26Å; T895-S897 PolarHBondContact O-N 2.98Å; T895-I898 PolarHBondContact O-N 3.1Å; T895-I898 VanDerWaalsContact O-N 3.1Å; T895-D899 PolarHBondContact O-N 2.91Å
896	D	92.5	Very high	90.6	Very high	52 Å²	52	53 Å²	53	28%	0.278	26%	0.26	S	S	.	.	H	α-helix	trans	-66.6	-31	-174.9	-64.2	-6.1	0	0	0	111.9	S892 R900 Q904 Y909	S892-D896 WeakPolarHBondContact O-CB 3.25Å; S892-D896 VanDerWaalsContact O-CG 3.23Å; S892-D896 PolarHBondContact O-N 3.41Å; D896-R900 WeakPolarHBondContact O-CB 3.46Å; D896-R900 WeakPolarHBondContact O-CG 3.33Å; D896-R900 PolarHBondContact O-N 3.11Å; D896-Q904 HydrophobicContact CB-CG 4.03Å; D896-Y909 WeakPolarHBondContact CB-OH 3.35Å; D896-Y909 WeakPolarHBondContact OD2-CE1 3.45Å; D896-Y909 VanDerWaalsContact OD2-CZ 3.31Å; D896-Y909 PolarHBondContact OD2-OH 3.23Å
897	S	91.2	Very high	90.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-71.7	-37	175	-58.7	0	0	0	0	112.4	W893 V894 T895 C901 E902 Q904	W893-S897 VanDerWaalsContact O-CB 3.26Å; W893-S897 WeakPolarHBondContact O-CB 3.46Å; W893-S897 PolarHBondContact O-N 3.32Å; W893-S897 PolarHBondContact O-OG 3.26Å; V894-S897 PolarHBondContact O-N 3.18Å; T895-S897 VanDerWaalsContact C-N 3.26Å; T895-S897 PolarHBondContact O-N 2.98Å; S897-C901 PolarHBondContact O-N 3.1Å; S897-C901 VanDerWaalsContact O-N 3.12Å; S897-E902 WeakPolarHBondContact CA-O 3.37Å; S897-E902 WeakPolarHBondContact CB-O 3.45Å; S897-E902 PolarHBondContact O-N 2.74Å; S897-Q904 PolarHBondContact OG-N 3.1Å
898	I	91.1	Very high	90	Very high	28 Å²	28	61.6 Å²	61.6	14%	0.144	31%	0.306	C	S	.	.	H	α-helix	trans	-67.5	-48.6	175.5	-68.5	166.8	0	0	0	110.6	M812 F813 E844 V894 T895 R900 C901	M812-I898 HydrophobicContact CE-CB 4.21Å; M812-I898 HydrophobicContact CE-CG1 3.73Å; F813-I898 HydrophobicContact CE2-CG1 4.03Å; E844-I898 HydrophobicContact CB-CD1 3.71Å; E844-I898 HydrophobicContact CG-CD1 4.33Å; V894-I898 HydrophobicContact CG1-CD1 3.82Å; V894-I898 WeakPolarHBondContact O-CD1 3.19Å; V894-I898 VanDerWaalsContact O-CG1 3.27Å; V894-I898 WeakPolarHBondContact O-CG1 3.19Å; V894-I898 PolarHBondContact O-N 3.17Å; V894-I898 VanDerWaalsContact O-N 3.09Å; T895-I898 PolarHBondContact O-N 3.1Å; T895-I898 VanDerWaalsContact O-N 3.1Å; I898-R900 PolarHBondContact O-N 3.32Å; I898-C901 PolarHBondContact O-N 3.28Å
899	D	90.8	Very high	89.8	Confident	121 Å²	121	62.5 Å²	62.5	65%	0.647	31%	0.309	S	S	*	.	H	α-helix	trans	-61.8	-34.6	-176.8	-71.2	-13.9	0	0	0	112.2	T895	T895-D899 PolarHBondContact O-N 2.91Å
900	R	87.1	Confident	89.6	Confident	171 Å²	171	66.2 Å²	66.2	65%	0.645	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.5	177.8	-66.8	177.5	175	-152.2	-2.1	113.8	D896 I898 E902 Q904	D896-R900 WeakPolarHBondContact O-CB 3.46Å; D896-R900 WeakPolarHBondContact O-CG 3.33Å; D896-R900 PolarHBondContact O-N 3.11Å; I898-R900 PolarHBondContact O-N 3.32Å; R900-E902 PolarHBondContact O-N 3.15Å; R900-Q904 VanDerWaalsContact CD-CD 3.43Å; R900-Q904 VanDerWaalsContact NH1-OE1 3.11Å
901	C	84.3	Confident	89.1	Confident	75 Å²	75	64.8 Å²	64.8	51%	0.507	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	26.4	-176.1	-67.5	0	0	0	0	113.6	P809 S897 I898	P809-C901 HydrophobicContact CB-CB 3.76Å; P809-C901 HydrophobicContact CG-CB 3.79Å; S897-C901 PolarHBondContact O-N 3.1Å; S897-C901 VanDerWaalsContact O-N 3.12Å; I898-C901 PolarHBondContact O-N 3.28Å
902	E	86.4	Confident	89	Confident	134 Å²	134	67.3 Å²	67.3	63%	0.626	34%	0.337	S	S	*	.	S	Bend	trans	-153.6	141.9	-176.9	-174.7	177.5	-162.5	0	0	110.6	S897 R900 Q904	S897-E902 WeakPolarHBondContact CA-O 3.37Å; S897-E902 WeakPolarHBondContact CB-O 3.45Å; S897-E902 PolarHBondContact O-N 2.74Å; R900-E902 PolarHBondContact O-N 3.15Å; E902-Q904 PolarHBondContact O-N 2.9Å; E902-Q904 PolarHBondContact O-NE2 2.69Å
903	L	87.1	Confident	88.9	Confident	65 Å²	65	68.5 Å²	68.5	34%	0.34	34%	0.339	S	S	.	.			trans	-60.3	120.2	176.1	-78.8	169.6	0	0	0	111.7	M812 F813 W893	M812-L903 HydrophobicContact CB-CG 4.25Å; M812-L903 VanDerWaalsContact O-CD1 3.29Å; M812-L903 WeakPolarHBondContact O-CD1 3.46Å; F813-L903 HydrophobicContact CD1-CD2 3.54Å; F813-L903 HydrophobicContact CE1-CD2 3.41Å; F813-L903 VanDerWaalsContact CE1-CD2 3.41Å; F813-L903 HydrophobicContact CG-CD2 4.37Å; F813-L903 HydrophobicContact CZ-CD2 4.15Å; W893-L903 HydrophobicContact CH2-CD2 4.22Å; W893-L903 HydrophobicContact CZ2-CD2 3.83Å
904	Q	92.1	Very high	88.7	Confident	29 Å²	29	72.3 Å²	72.3	14%	0.136	36%	0.357	C	S	.	.			trans	-78.1	152.9	175.9	-59	-52.4	-75.8	0	0	112.1	W893 D896 S897 R900 E902 E906 Y909	W893-Q904 PolarHBondContact NE1-O 2.91Å; D896-Q904 HydrophobicContact CB-CG 4.03Å; S897-Q904 PolarHBondContact OG-N 3.1Å; R900-Q904 VanDerWaalsContact CD-CD 3.43Å; R900-Q904 VanDerWaalsContact NH1-OE1 3.11Å; E902-Q904 PolarHBondContact O-N 2.9Å; E902-Q904 PolarHBondContact O-NE2 2.69Å; Q904-E906 PolarHBondContact O-N 3.39Å; Q904-E906 VanDerWaalsContact O-N 3.11Å; Q904-Y909 HydrophobicContact CB-CE2 3.91Å
905	E	88.9	Confident	88.5	Confident	134 Å²	134	76.5 Å²	76.5	63%	0.626	38%	0.378	S	S	*	.			trans	-61.2	114.7	176.5	-72.9	-158.5	157.2	0	0	112	N907 Q908 Y909	E905-N907 PolarHBondContact O-N 3.11Å; E905-N907 VanDerWaalsContact O-N 3.09Å; E905-Q908 PolarHBondContact O-N 3.02Å; E905-Y909 WeakPolarHBondContact O-CD2 3.5Å
906	E	89.8	Confident	88.4	Confident	37 Å²	37	79.1 Å²	79.1	17%	0.173	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-60.6	-25.7	-173	-63.8	166.3	-170	0	0	113.9	H862 K887 L889 W893 Q904 Q908 Y909 L910	H862-E906 IonicContact CE1-OE1 2.88Å; H862-E906 IonicContact NE2-OE1 2.86Å; H862-E906 PolarHBondContact NE2-OE1 2.83Å; H862-E906 IonicContact NE2-OE2 3.39Å; H862-E906 PolarHBondContact NE2-OE2 3.46Å; K887-E906 WeakPolarHBondContact CD-OE2 3.42Å; K887-E906 VanDerWaalsContact CE-OE2 3.27Å; K887-E906 WeakPolarHBondContact CE-OE2 3.28Å; K887-E906 IonicContact NZ-OE2 2.61Å; K887-E906 PolarHBondContact NZ-OE2 3.06Å; L889-E906 HydrophobicContact CD1-CB 4.34Å; L889-E906 HydrophobicContact CD1-CG 4.12Å; L889-E906 HydrophobicContact CD2-CB 4.19Å; W893-E906 HydrophobicContact CZ2-CG 3.74Å; Q904-E906 PolarHBondContact O-N 3.39Å; Q904-E906 VanDerWaalsContact O-N 3.11Å; E906-Q908 PolarHBondContact O-N 3.19Å; E906-Q908 VanDerWaalsContact O-N 3.14Å; E906-Y909 PolarHBondContact O-N 2.94Å; E906-L910 PolarHBondContact O-N 3.16Å
907	N	87.8	Confident	88.1	Confident	119 Å²	119	80.9 Å²	80.9	64%	0.636	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-57.3	-31.8	-176.9	-72.2	-26.2	0	0	0	113	E905 Y909	E905-N907 PolarHBondContact O-N 3.11Å; E905-N907 VanDerWaalsContact O-N 3.09Å; N907-Y909 PolarHBondContact O-N 3.36Å
908	Q	86.3	Confident	87.9	Confident	144 Å²	144	86.7 Å²	86.7	67%	0.673	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-76.7	-12.2	-179.1	-56.9	-177.6	11.9	0	0	112.7	E905 E906	E905-Q908 PolarHBondContact O-N 3.02Å; E906-Q908 PolarHBondContact O-N 3.19Å; E906-Q908 VanDerWaalsContact O-N 3.14Å
909	Y	88.9	Confident	87.6	Confident	21 Å²	21	91.2 Å²	91.2	8%	0.082	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-0.4	-172.1	-57.4	-90.5	0	0	0	113.6	L889 K890 S892 W893 D896 Q904 E905 E906 N907	L889-Y909 CarbonylContact C-O 2.85Å; L889-Y909 VanDerWaalsContact CA-O 3.31Å; L889-Y909 WeakPolarHBondContact CA-O 3.49Å; K890-Y909 PolarHBondContact N-O 2.64Å; S892-Y909 WeakPolarHBondContact OG-CD1 3.15Å; W893-Y909 HydrophobicContact CB-CD1 3.82Å; W893-Y909 HydrophobicContact CB-CD2 4.21Å; W893-Y909 HydrophobicContact CB-CE1 4.46Å; W893-Y909 HydrophobicContact CB-CG 3.67Å; W893-Y909 AromaticContact CD1-CD2 3.63Å; W893-Y909 AromaticContact CD1-CG 3.98Å; W893-Y909 HydrophobicContact CG-CD2 4.29Å; W893-Y909 HydrophobicContact CG-CG 4.2Å; D896-Y909 WeakPolarHBondContact CB-OH 3.35Å; D896-Y909 WeakPolarHBondContact OD2-CE1 3.45Å; D896-Y909 VanDerWaalsContact OD2-CZ 3.31Å; D896-Y909 PolarHBondContact OD2-OH 3.23Å; Q904-Y909 HydrophobicContact CB-CE2 3.91Å; E905-Y909 WeakPolarHBondContact O-CD2 3.5Å; E906-Y909 PolarHBondContact O-N 2.94Å; N907-Y909 PolarHBondContact O-N 3.36Å
910	L	89.1	Confident	87.4	Confident	79 Å²	79	88.8 Å²	88.8	41%	0.414	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-65.2	145.7	178	-78.1	166.9	0	0	0	113.2	K887 I888 L889 E906	K887-L910 HydrophobicContact CB-CD2 3.98Å; K887-L910 HydrophobicContact CD-CD2 4.45Å; K887-L910 HydrophobicContact CG-CD2 4.26Å; I888-L910 WeakPolarHBondContact O-CA 3.36Å; L889-L910 HydrophobicContact CD2-CB 4.38Å; L889-L910 HydrophobicContact CD2-CD2 3.56Å; L889-L910 HydrophobicContact CD2-CG 3.77Å; E906-L910 PolarHBondContact O-N 3.16Å
911	I	80.9	Confident	87.4	Confident	57 Å²	57	81.3 Å²	81.3	29%	0.292	41%	0.41	S	S	.	.			trans	-120.4	0	177.2	-48.1	178.1	0	0	0	112.2	I865 V872 K876 I888 K890	I865-I911 HydrophobicContact CB-CD1 4.25Å; V872-I911 HydrophobicContact CG1-CG2 3.86Å; V872-I911 HydrophobicContact CG2-CG2 3.8Å; K876-I911 WeakPolarHBondContact CE-O 3.35Å; K876-I911 PolarHBondContact NZ-O 2.71Å; K876-I911 PolarHBondContact NZ-OXT 3.33Å; I888-I911 HydrophobicContact CG2-CB 4.13Å; I888-I911 HydrophobicContact CG2-CD1 4.5Å; I888-I911 PolarHBondContact O-N 3.15Å; K890-I911 HydrophobicContact CB-CD1 4.46Å; K890-I911 HydrophobicContact CG-CD1 3.63Å; K890-I911 HydrophobicContact CG-CG1 3.72Å

Retrieved 911 of 911 residues in 394.4 ms (Link to these results)

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