A0A077YX84_TRITR Loading...

Vacuolar protein sorting associated protein 13A

AlphaFold DB , UniProt , Accession A0A077YX84, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 2,129 aa.

						>A0A077YX84_TRITR|A0A077YX84
MVFETVVATILNKALGSYVENLDASQMNLGIWGGNVVLNNLNLKDTALDDLDLPVKLKSGFLEKLSLKIPWKNLYTEAVVAEVQGLYVLAVPNAGARVSVYNAEKEEKTMVEAKKAELRRIEAAKEKPAKQDTFVEKMTAQVIKNLQVIIRNIHIRYEDQFSNRDRPFALGVTLHELCFQTTDDNWKPCIVKELTKIIYKVSDQMKSFAVYWNFNCKLVSDLVLLPISIGAYLKLNPKPETDGTNFKTPKIRLSITVDKLGLNIEKFQYQGILEFLEAQEQFALNAKYRKYRPFMLPYHNHMKEWWHFAMNCILETQVRRVARNWSWSHIKQHRELVKQYELAWLEKRTVKNISSEKLAIIDKAEKQLDVFNLIIARQQAELQIKRRGLKLVEEQGGWMSWVTGWWGGGGGEQKAAGSTANEIASQFEKAMTDEEKEKLYQAIDYQENQVPTQYPPEVTNIFVFSLVLEMGLQTVESTLEMRPSASAIKFESKIGMFEIKGSDEKTEHAVVPILSPVLGKEEEASLFSQLTFNFETNPLDHSCDQRISLLAQPLVITYHAYSINRLICVLRPPESVRLKQLTDAAMLKYEDIKSKSSTGLQHAMKYRKRMKVDLEILPTVLRIPDYGDYERFNLIVRKVAPIKVHIDFRSFYTFIALFTLSDSQGTFDLDLATALLEPTGFKIVLQTAIVDDVKLPKTRICGTLPDLCVNISDVYLLKLLKLLLSIPTPPPPQTTKFELKDETNAEDFNKQVQLEVKFVLNQMLQRKDETSTTVILKTVAIDYFDRDSRYKKVRTFAQILDVMGEEMFRLECIQYTRDKDQVVLDSSQQVDMCLIVRLAKMRFIFLNLWLNRLLNWLSPFQTAAERTASLAGTAIQERARNAVEALQKGDISRIKLDVLIETPVIVLPASSKSTKLLPLGKLTVGNEFSYLKLSDGVVVLDKIVFLGKDSWTLGDERELLRPITFTISVVRNLSFDFYQTVPRIAVEGRLPEIEIRLTSEDYSVLMAILSENLAEVEETPASPPPSEPIAPSSAAGKGANEKLAETTSTARKSTVEMKALFALERISVTLYRSTDAQMFANGEMTANFSLKAFTLDDLRKGSIGIRRLLDKKGGSTDGHLLSASFEKTLKMLAPNFVASYLRPKNRDVQLCKRSFGPNVFVPKCRFSVEPFPIYGWPTRFKCNNANKDTGVECVEDNKDKVPLADADSQQVLASFSAIDNLNRTLLLVQMSFEVEQISFCLEADCGRKKLPMIFMRSSLSGDISSWTCGLIIMSTVRCEIWYFNDNNNAWEPVLEPMLQDEVYHLLSWCLSFLIVLMLYFTNGLVQFHNTLPYDVELYFKKQENLQYGMKLLANGSEVAPPLTYVCPAVLPLQILGFLFQLKMKVGDSGWSSGFPVDSVGSAGRITCTDSLSFFQFSVKPSISEFGFTKICTITPFYQLKNMGKEKQVETFFFCVGFWPDQKRNLFCIVRIEGTEEESQPFPFTDTFETLCRLNNKVKAFMYIVHSVSDSGVTIAFYDYEDGMIPAMVINHFTSVEAQFKQTYDGYEEFFLARDHPAYCISFLNGRQRTILFTDDLAVCTNARQIYELEAADSEILVSLHGVGLSLMNDSIGKEVAYIALRSTGAIWEQKKKRFRAFPVADCRALETAYTKYLADIDFTEMKITKPVIREIRRSFQSGLTLQYRQSQHDLQIHVRINSIQIDNQLSGCVFRTMFAPTPVPKSVFKVAFAVPKPFIEFTHIVRNPEHSTIPYVQYCKLLVQEMAVKVDQGFLNALMSMFASTSARTRSVYFNRDSVLQPFSFMDVSFVQRGSTSEESQAPFMLHTELLSLLLKGVGVTLTEIQDVVLKLAYFERRSVFMSKNTLISEATGHYVKQVIMQLYVLVLGLDVLGNPFGLIRDLSTGVEQFFYEPIQGAIEGPEEFAEGLVVGVRSLFGHALGGTAGAVSRITGTLGKGIAALTMDADYQKRRQEMMNKRPADLTSGIARGGTGAIMGVVDGVTGVFVKPIEGAREEGAIGFAKGLGKGLIGMVTRPVSGVVDFASSSLEAVKKYTNVCPSHDLLINFRFRAADVSEEVKRIRLPRYVGQDKIVRPYSPLEAEGGSILQVNRFLSVPAAIHVNCIILYLGPGKG
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	48	Very low	185 Å²	185	87.3 Å²	87.3	91%	0.911	48%	0.479	S	S	*	.				0	-80.8	0	-65.4	-175	179.8	0	0	111.9	F3 E4 T5	M1-F3 PolarHBondContact O-N 3.33Å; M1-E4 VanDerWaalsContact CA-OE2 3.23Å; M1-E4 WeakPolarHBondContact CA-OE2 3.28Å; M1-E4 PolarHBondContact N-OE2 3.4Å; M1-E4 WeakPolarHBondContact O-CB 3.45Å; M1-E4 PolarHBondContact O-N 2.89Å; M1-T5 PolarHBondContact O-N 3.23Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 3.5Å
2	V	42.1	Very low	48.6	Very low	115 Å²	115	85.2 Å²	85.2	70%	0.697	47%	0.467	S	S	*	.	H	α-helix	trans	-51.6	-49.2	-166.8	-173.8	0	0	0	0	114.3	E4 T5 V6	V2-E4 PolarHBondContact O-N 2.62Å; V2-T5 PolarHBondContact O-N 2.73Å; V2-V6 WeakPolarHBondContact O-CG2 3.5Å; V2-V6 PolarHBondContact O-N 3.11Å; V2-V6 VanDerWaalsContact O-N 3.08Å
3	F	43.2	Very low	49.4	Very low	126 Å²	126	89.9 Å²	89.9	55%	0.553	48%	0.48	S	S	*	.	H	α-helix	trans	-64.9	-37.9	179.2	-89.8	-88.8	0	0	0	113.9	M1 V6 V7 M138	M1-F3 PolarHBondContact O-N 3.33Å; F3-V6 PolarHBondContact O-N 3.04Å; F3-V7 PolarHBondContact O-N 3.31Å; F3-M138 HydrophobicContact CE1-SD 4.36Å
4	E	42.6	Very low	49.9	Very low	87 Å²	87	84.1 Å²	84.1	41%	0.407	45%	0.451	S	S	.	.	H	α-helix	trans	-64.6	-46.3	178	-66.5	152.9	111.9	0	0	110.3	M1 V2 V6 V7 A8 I31	M1-E4 VanDerWaalsContact CA-OE2 3.23Å; M1-E4 WeakPolarHBondContact CA-OE2 3.28Å; M1-E4 PolarHBondContact N-OE2 3.4Å; M1-E4 WeakPolarHBondContact O-CB 3.45Å; M1-E4 PolarHBondContact O-N 2.89Å; V2-E4 PolarHBondContact O-N 2.62Å; E4-V6 PolarHBondContact O-N 3.2Å; E4-V7 PolarHBondContact O-N 2.93Å; E4-A8 WeakPolarHBondContact O-CB 3.31Å; E4-A8 PolarHBondContact O-N 2.85Å; E4-I31 HydrophobicContact CG-CG2 4.42Å
5	T	49.9	Very low	50.9	Low	90 Å²	90	80.7 Å²	80.7	55%	0.552	43%	0.432	S	S	*	.	H	α-helix	trans	-62.8	-41.7	178.2	-44.2	0	0	0	0	111.6	M1 V2 T9	M1-T5 PolarHBondContact O-N 3.23Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 3.5Å; V2-T5 PolarHBondContact O-N 2.73Å; T5-T9 VanDerWaalsContact O-CB 3.23Å; T5-T9 WeakPolarHBondContact O-CB 3.25Å; T5-T9 PolarHBondContact O-N 2.85Å; T5-T9 PolarHBondContact O-OG1 2.89Å
6	V	50.5	Low	51.6	Low	73 Å²	73	77.4 Å²	77.4	44%	0.442	42%	0.423	S	S	.	.	H	α-helix	trans	-62.7	-51	176.7	168.5	0	0	0	0	111.1	V2 F3 E4 T9 I10	V2-V6 WeakPolarHBondContact O-CG2 3.5Å; V2-V6 PolarHBondContact O-N 3.11Å; V2-V6 VanDerWaalsContact O-N 3.08Å; F3-V6 PolarHBondContact O-N 3.04Å; E4-V6 PolarHBondContact O-N 3.2Å; V6-T9 PolarHBondContact O-N 2.65Å; V6-I10 HydrophobicContact CG1-CD1 3.8Å; V6-I10 VanDerWaalsContact O-CG1 3.29Å; V6-I10 WeakPolarHBondContact O-CG1 3.22Å; V6-I10 PolarHBondContact O-N 2.86Å
7	V	50.4	Low	52.3	Low	32 Å²	32	74.9 Å²	74.9	19%	0.194	41%	0.413	C	S	.	.	H	α-helix	trans	-76	-33.3	-175.1	178.5	0	0	0	0	112.7	F3 E4 T9 I10 L11 I69 W71	F3-V7 PolarHBondContact O-N 3.31Å; E4-V7 PolarHBondContact O-N 2.93Å; V7-T9 VanDerWaalsContact C-N 3.33Å; V7-I10 PolarHBondContact O-N 3.49Å; V7-L11 HydrophobicContact CG1-CD1 4.06Å; V7-L11 HydrophobicContact CG1-CG 4.49Å; V7-L11 WeakPolarHBondContact O-CB 3.34Å; V7-L11 PolarHBondContact O-N 3.08Å; V7-I69 HydrophobicContact CG1-CD1 4.08Å; V7-W71 HydrophobicContact CB-CH2 3.88Å; V7-W71 HydrophobicContact CG1-CH2 3.94Å; V7-W71 HydrophobicContact CG2-CH2 3.79Å; V7-W71 HydrophobicContact CG2-CZ3 4.15Å
8	A	50.6	Low	53.1	Low	41 Å²	41	72.3 Å²	72.3	34%	0.339	40%	0.396	S	S	.	.	H	α-helix	trans	-64.4	-38	170.1	0	0	0	0	0	111.8	E4 L11 N12	E4-A8 WeakPolarHBondContact O-CB 3.31Å; E4-A8 PolarHBondContact O-N 2.85Å; A8-L11 PolarHBondContact O-N 2.79Å; A8-N12 WeakPolarHBondContact O-CB 3.45Å; A8-N12 PolarHBondContact O-N 3.19Å
9	T	52.5	Low	54.1	Low	86 Å²	86	68.8 Å²	68.8	53%	0.528	38%	0.377	S	S	.	.	H	α-helix	trans	-66.3	-39.5	173.5	-58.7	0	0	0	0	111.3	T5 V6 V7 K13	T5-T9 VanDerWaalsContact O-CB 3.23Å; T5-T9 WeakPolarHBondContact O-CB 3.25Å; T5-T9 PolarHBondContact O-N 2.85Å; T5-T9 PolarHBondContact O-OG1 2.89Å; V6-T9 PolarHBondContact O-N 2.65Å; V7-T9 VanDerWaalsContact C-N 3.33Å; T9-K13 WeakPolarHBondContact O-CB 3.37Å; T9-K13 PolarHBondContact O-N 3.45Å
10	I	53.9	Low	54.8	Low	91 Å²	91	69.1 Å²	69.1	47%	0.467	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-44.1	174.3	-69.9	164.2	0	0	0	110.9	V6 V7 K13 A14 A2014	V6-I10 HydrophobicContact CG1-CD1 3.8Å; V6-I10 VanDerWaalsContact O-CG1 3.29Å; V6-I10 WeakPolarHBondContact O-CG1 3.22Å; V6-I10 PolarHBondContact O-N 2.86Å; V7-I10 PolarHBondContact O-N 3.49Å; I10-K13 CarbonylContact O-C 3.54Å; I10-K13 PolarHBondContact O-N 2.98Å; I10-A14 VanDerWaalsContact O-CB 3.26Å; I10-A14 WeakPolarHBondContact O-CB 3.18Å; I10-A14 PolarHBondContact O-N 2.82Å; I10-A2014 HydrophobicContact CG2-CB 4.5Å
11	L	55.6	Low	55.1	Low	34 Å²	34	72.2 Å²	72.2	18%	0.178	39%	0.392	C	S	.	.	H	α-helix	trans	-69.6	-43.7	-179.7	-80	165.6	0	0	0	113.3	V7 A8 K13 A14 L15 L67	V7-L11 HydrophobicContact CG1-CD1 4.06Å; V7-L11 HydrophobicContact CG1-CG 4.49Å; V7-L11 WeakPolarHBondContact O-CB 3.34Å; V7-L11 PolarHBondContact O-N 3.08Å; A8-L11 PolarHBondContact O-N 2.79Å; L11-K13 VanDerWaalsContact C-N 3.28Å; L11-K13 PolarHBondContact O-N 3.04Å; L11-A14 WeakPolarHBondContact O-CB 3.25Å; L11-A14 PolarHBondContact O-N 2.87Å; L11-A14 VanDerWaalsContact O-N 3.11Å; L11-L15 HydrophobicContact CD2-CD1 4.39Å; L11-L15 PolarHBondContact O-N 3.43Å; L11-L67 HydrophobicContact CD1-CD2 4.32Å; L11-L67 HydrophobicContact CD2-CD2 4.19Å
12	N	55.9	Low	56.3	Low	62 Å²	62	64.7 Å²	64.7	33%	0.332	36%	0.355	S	S	.	.	H	α-helix	trans	-61.1	-40	172.7	-86.9	-13.5	0	0	0	111.4	A8 A14 G16 L22 M27	A8-N12 WeakPolarHBondContact O-CB 3.45Å; A8-N12 PolarHBondContact O-N 3.19Å; N12-A14 VanDerWaalsContact C-N 3.34Å; N12-G16 WeakPolarHBondContact O-CA 3.36Å; N12-G16 PolarHBondContact O-N 3.32Å; N12-L22 VanDerWaalsContact OD1-CD2 3.23Å; N12-L22 WeakPolarHBondContact OD1-CD2 3.45Å; N12-M27 WeakPolarHBondContact OD1-CE 3.4Å
13	K	58.8	Low	56.9	Low	147 Å²	147	63.4 Å²	63.4	64%	0.639	34%	0.344	S	S	*	.	H	α-helix	trans	-70.3	-28.5	174.7	-168.1	174.2	-178.3	-178.3	0	112.7	T9 I10 L11 I2015	T9-K13 WeakPolarHBondContact O-CB 3.37Å; T9-K13 PolarHBondContact O-N 3.45Å; I10-K13 CarbonylContact O-C 3.54Å; I10-K13 PolarHBondContact O-N 2.98Å; L11-K13 VanDerWaalsContact C-N 3.28Å; L11-K13 PolarHBondContact O-N 3.04Å; K13-I2015 WeakPolarHBondContact O-CD1 3.19Å; K13-I2015 WeakPolarHBondContact O-CG1 3.4Å
14	A	56.8	Low	57.3	Low	9 Å²	9	60 Å²	60	7%	0.074	34%	0.34	C	S	.	.	H	α-helix	trans	-71.5	-51.8	177.4	0	0	0	0	0	112.7	I10 L11 N12 A2014	I10-A14 VanDerWaalsContact O-CB 3.26Å; I10-A14 WeakPolarHBondContact O-CB 3.18Å; I10-A14 PolarHBondContact O-N 2.82Å; L11-A14 WeakPolarHBondContact O-CB 3.25Å; L11-A14 PolarHBondContact O-N 2.87Å; L11-A14 VanDerWaalsContact O-N 3.11Å; N12-A14 VanDerWaalsContact C-N 3.34Å; A14-A2014 HydrophobicContact CB-CB 3.27Å
15	L	63.8	Low	57.7	Low	32 Å²	32	59.4 Å²	59.4	17%	0.168	35%	0.345	C	S	.	.	H	α-helix	trans	-96.3	-30.2	-166.7	-59.7	172.1	0	0	0	111.5	L11 S17 Y18 V19 L22 L38 L65	L11-L15 HydrophobicContact CD2-CD1 4.39Å; L11-L15 PolarHBondContact O-N 3.43Å; L15-S17 PolarHBondContact O-N 3.05Å; L15-S17 VanDerWaalsContact O-N 3.09Å; L15-Y18 PolarHBondContact O-N 3.1Å; L15-V19 HydrophobicContact CB-CG2 4.26Å; L15-V19 WeakPolarHBondContact O-CB 3.43Å; L15-V19 PolarHBondContact O-N 3.35Å; L15-L22 HydrophobicContact CB-CD1 3.55Å; L15-L22 HydrophobicContact CD1-CD1 3.93Å; L15-L22 HydrophobicContact CG-CD1 4.38Å; L15-L38 HydrophobicContact CD1-CD1 3.79Å; L15-L65 HydrophobicContact CD1-CD2 3.87Å; L15-L65 HydrophobicContact CD2-CD2 3.93Å
16	G	62.9	Low	57.8	Low	28 Å²	28	59.8 Å²	59.8	29%	0.289	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.1	-175.2	0	0	0	0	0	115.7	N12 K44	N12-G16 WeakPolarHBondContact O-CA 3.36Å; N12-G16 PolarHBondContact O-N 3.32Å; G16-K44 PolarHBondContact O-NZ 3.34Å
17	S	63	Low	57.8	Low	36 Å²	36	57.4 Å²	57.4	25%	0.252	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-28.9	169.6	54.5	0	0	0	0	113.2	L15 K44 I2015	L15-S17 PolarHBondContact O-N 3.05Å; L15-S17 VanDerWaalsContact O-N 3.09Å; S17-K44 WeakPolarHBondContact O-CD 3.2Å; S17-I2015 WeakPolarHBondContact OG-CG1 3.32Å
18	Y	67.2	Low	57.5	Low	28 Å²	28	61.5 Å²	61.5	11%	0.11	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-25.9	-172.3	-66	-61.7	0	0	0	113.7	L15 L43 K44 A47 D50 I2015 A2018 K2019	L15-Y18 PolarHBondContact O-N 3.1Å; Y18-L43 CarbonylContact O-C 3.56Å; Y18-L43 VanDerWaalsContact O-CA 3.3Å; Y18-L43 WeakPolarHBondContact O-CA 3.17Å; Y18-K44 PolarHBondContact O-N 3.17Å; Y18-A47 HydrophobicContact CD1-CB 3.86Å; Y18-D50 PolarHBondContact OH-OD2 3.38Å; Y18-I2015 HydrophobicContact CE2-CB 4.32Å; Y18-I2015 HydrophobicContact CE2-CG2 3.76Å; Y18-I2015 WeakPolarHBondContact OH-CG2 3.31Å; Y18-A2018 HydrophobicContact CD2-CB 4.08Å; Y18-A2018 HydrophobicContact CE2-CB 3.89Å; Y18-K2019 WeakPolarHBondContact OH-CE 3.41Å; Y18-K2019 WeakPolarHBondContact OH-CG 3.36Å
19	V	71.3	Confident	57.1	Low	5 Å²	5	67 Å²	67	3%	0.03	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-106.8	138	-175.1	-178.2	0	0	0	0	110.8	L15 L22 L41 N42 L43 K44	L15-V19 HydrophobicContact CB-CG2 4.26Å; L15-V19 WeakPolarHBondContact O-CB 3.43Å; L15-V19 PolarHBondContact O-N 3.35Å; V19-L22 HydrophobicContact CB-CB 4.47Å; V19-L22 HydrophobicContact CB-CD1 3.99Å; V19-L22 HydrophobicContact CG1-CB 4.16Å; V19-L22 HydrophobicContact CG1-CD1 3.86Å; V19-L22 HydrophobicContact CG2-CD1 4.38Å; V19-L41 HydrophobicContact CG1-CB 3.85Å; V19-L41 HydrophobicContact CG1-CD1 4.43Å; V19-L41 HydrophobicContact CG1-CD2 4.06Å; V19-L41 HydrophobicContact CG1-CG 4.34Å; V19-L41 HydrophobicContact CG2-CB 4.48Å; V19-L41 HydrophobicContact CG2-CD1 4.42Å; V19-N42 CarbonylContact C-O 3.57Å; V19-N42 VanDerWaalsContact CA-O 3.3Å; V19-N42 WeakPolarHBondContact CA-O 3.24Å; V19-N42 WeakPolarHBondContact CG1-O 3.38Å; V19-L43 HydrophobicContact CG2-CD2 4.45Å; V19-K44 WeakPolarHBondContact O-CE 3.42Å
20	E	68.8	Low	56.9	Low	75 Å²	75	64.8 Å²	64.8	35%	0.35	36%	0.363	S	S	.	.	S	Bend	trans	-79	143.2	172.2	-66.6	-167.5	154.8	0	0	111.8	L22 N42 K44	E20-L22 PolarHBondContact O-N 3.33Å; E20-N42 HydrophobicContact CB-CB 4.2Å; E20-N42 PolarHBondContact N-O 2.75Å; E20-K44 HydrophobicContact CB-CG 4.47Å; E20-K44 HydrophobicContact CG-CB 4.32Å; E20-K44 HydrophobicContact CG-CG 3.48Å; E20-K44 VanDerWaalsContact CG-CG 3.48Å
21	N	61.6	Low	56.5	Low	134 Å²	134	63 Å²	63	72%	0.717	35%	0.354	S	S	*	.	S	Bend	trans	54	31.1	167.2	-50.3	-38.1	0	0	0	115.3	D23	N21-D23 VanDerWaalsContact C-N 3.32Å; N21-D23 PolarHBondContact O-N 3.23Å
22	L	60.2	Low	55.8	Low	27 Å²	27	72.5 Å²	72.5	14%	0.141	39%	0.388	C	S	.	.			trans	-72.3	86.7	176.1	-166	139.1	0	0	0	109.8	N12 L15 V19 E20 L38	N12-L22 VanDerWaalsContact OD1-CD2 3.23Å; N12-L22 WeakPolarHBondContact OD1-CD2 3.45Å; L15-L22 HydrophobicContact CB-CD1 3.55Å; L15-L22 HydrophobicContact CD1-CD1 3.93Å; L15-L22 HydrophobicContact CG-CD1 4.38Å; V19-L22 HydrophobicContact CB-CB 4.47Å; V19-L22 HydrophobicContact CB-CD1 3.99Å; V19-L22 HydrophobicContact CG1-CB 4.16Å; V19-L22 HydrophobicContact CG1-CD1 3.86Å; V19-L22 HydrophobicContact CG2-CD1 4.38Å; E20-L22 PolarHBondContact O-N 3.33Å; L22-L38 HydrophobicContact CD1-CD1 4.43Å
23	D	56	Low	55.7	Low	88 Å²	88	72.1 Å²	72.1	47%	0.471	40%	0.399	S	S	.	.			trans	-87.4	145.7	-175.7	-177.9	30.1	0	0	0	112.1	N21 S25 Q26	N21-D23 VanDerWaalsContact C-N 3.32Å; N21-D23 PolarHBondContact O-N 3.23Å; D23-S25 PolarHBondContact O-N 2.9Å; D23-S25 VanDerWaalsContact O-N 3.16Å; D23-S25 VanDerWaalsContact OD2-CB 3.26Å; D23-S25 WeakPolarHBondContact OD2-CB 3.49Å; D23-S25 PolarHBondContact OD2-OG 3.27Å; D23-Q26 WeakPolarHBondContact O-CB 3.49Å; D23-Q26 PolarHBondContact O-N 2.95Å
24	A	50.6	Low	55.6	Low	56 Å²	56	65.4 Å²	65.4	46%	0.463	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-62.3	-23.8	-179.3	0	0	0	0	0	112.8	Q26	A24-Q26 VanDerWaalsContact C-N 3.26Å; A24-Q26 PolarHBondContact O-N 2.73Å
25	S	51.6	Low	55.9	Low	73 Å²	73	68.2 Å²	68.2	51%	0.51	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-60	-33.2	173.1	66.6	0	0	0	0	113.3	D23 M27	D23-S25 PolarHBondContact O-N 2.9Å; D23-S25 VanDerWaalsContact O-N 3.16Å; D23-S25 VanDerWaalsContact OD2-CB 3.26Å; D23-S25 WeakPolarHBondContact OD2-CB 3.49Å; D23-S25 PolarHBondContact OD2-OG 3.27Å; S25-M27 VanDerWaalsContact C-N 3.33Å; S25-M27 PolarHBondContact O-N 3.41Å
26	Q	51.4	Low	56.1	Low	98 Å²	98	68 Å²	68	46%	0.458	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-76	-17.5	-172.8	-61.8	-179.8	-3.9	0	0	113.6	D23 A24	D23-Q26 WeakPolarHBondContact O-CB 3.49Å; D23-Q26 PolarHBondContact O-N 2.95Å; A24-Q26 VanDerWaalsContact C-N 3.26Å; A24-Q26 PolarHBondContact O-N 2.73Å
27	M	50.9	Low	56.5	Low	23 Å²	23	69.5 Å²	69.5	11%	0.113	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-89.6	-4.4	-178.4	-70.1	-172.6	-72.3	0	0	114.6	N12 S25 L29 L38	N12-M27 WeakPolarHBondContact OD1-CE 3.4Å; S25-M27 VanDerWaalsContact C-N 3.33Å; S25-M27 PolarHBondContact O-N 3.41Å; M27-L29 VanDerWaalsContact C-N 3.3Å; M27-L29 PolarHBondContact O-N 2.7Å; M27-L38 HydrophobicContact CG-CD2 4.15Å
28	N	43.9	Very low	57	Low	118 Å²	118	68.2 Å²	68.2	63%	0.631	38%	0.379	S	S	*	.			trans	-81.7	10.4	-168.3	-86.8	-28.7	0	0	0	116.2
29	L	43.2	Very low	57.7	Low	157 Å²	157	71 Å²	71	82%	0.822	40%	0.396	S	S	*	.	S	Bend	trans	-115.3	102.4	-178.3	-72.4	166.5	0	0	0	111.5	M27	M27-L29 VanDerWaalsContact C-N 3.3Å; M27-L29 PolarHBondContact O-N 2.7Å
30	G	47.4	Very low	58	Low	40 Å²	40	75.9 Å²	75.9	41%	0.412	42%	0.421	S	S	.	.	S	Bend	trans	122.6	-5.7	167.8	0	0	0	0	0	117.4	W32 G33 N35	G30-W32 PolarHBondContact O-N 3.17Å; G30-W32 VanDerWaalsContact O-N 3.14Å; G30-G33 WeakPolarHBondContact O-CA 3.39Å; G30-G33 PolarHBondContact O-N 3.22Å; G30-N35 CarbonylContact C-O 3.58Å
31	I	45.3	Very low	58.4	Low	54 Å²	54	72.7 Å²	72.7	28%	0.277	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-51.7	-44	-165.9	-58.8	173.1	0	0	0	114.2	E4 G33 G34	E4-I31 HydrophobicContact CG-CG2 4.42Å; I31-G33 PolarHBondContact O-N 3.4Å; I31-G34 PolarHBondContact O-N 3.11Å; I31-G34 VanDerWaalsContact O-N 3.1Å
32	W	41.5	Very low	59.4	Low	232 Å²	232	70 Å²	70	88%	0.879	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-67	-19.9	178.3	-83.5	85.2	0	0	0	114.7	G30	G30-W32 PolarHBondContact O-N 3.17Å; G30-W32 VanDerWaalsContact O-N 3.14Å
33	G	53.7	Low	60.5	Low	55 Å²	55	70.1 Å²	70.1	57%	0.567	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-91.5	3.8	173.7	0	0	0	0	0	114	G30 I31 N35	G30-G33 WeakPolarHBondContact O-CA 3.39Å; G30-G33 PolarHBondContact O-N 3.22Å; I31-G33 PolarHBondContact O-N 3.4Å; G33-N35 PolarHBondContact O-N 2.81Å; G33-N35 VanDerWaalsContact O-N 3.13Å; G33-N35 PolarHBondContact O-ND2 3.34Å
34	G	57.1	Low	61.5	Low	6 Å²	6	69.1 Å²	69.1	6%	0.062	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	-5.9	-179.8	0	0	0	0	0	115.6	I31 K68 I69	I31-G34 PolarHBondContact O-N 3.11Å; I31-G34 VanDerWaalsContact O-N 3.1Å; G34-K68 CarbonylContact O-C 3.53Å; G34-K68 WeakPolarHBondContact O-CA 3.44Å; G34-I69 VanDerWaalsContact CA-O 3.26Å; G34-I69 WeakPolarHBondContact CA-O 3.37Å; G34-I69 PolarHBondContact O-N 2.87Å
35	N	62.6	Low	62.6	Low	67 Å²	67	70.2 Å²	70.2	36%	0.358	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.8	-178.5	-57.6	-61.6	0	0	0	110.5	G30 G33 K68	G30-N35 CarbonylContact C-O 3.58Å; G33-N35 PolarHBondContact O-N 2.81Å; G33-N35 VanDerWaalsContact O-N 3.13Å; G33-N35 PolarHBondContact O-ND2 3.34Å; N35-K68 VanDerWaalsContact OD1-CD 3.31Å; N35-K68 WeakPolarHBondContact OD1-CD 3.34Å; N35-K68 WeakPolarHBondContact OD1-CG 3.43Å
36	V	68.3	Low	63.6	Low	27 Å²	27	70.4 Å²	70.4	16%	0.164	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.9	163.3	-178.3	0	0	0	0	107.5	L38 S66 L67	V36-L38 HydrophobicContact CG1-CG 4.38Å; V36-S66 CarbonylContact O-C 3.51Å; V36-S66 WeakPolarHBondContact O-CA 3.47Å; V36-L67 HydrophobicContact CB-CB 4.28Å; V36-L67 PolarHBondContact N-O 3.05Å; V36-L67 PolarHBondContact O-N 3.49Å
37	V	70	Confident	64.5	Low	61 Å²	61	66.4 Å²	66.4	37%	0.37	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	118.4	173.8	-174.2	0	0	0	0	109.4	K64 L65	V37-K64 HydrophobicContact CG1-CD 4.45Å; V37-K64 HydrophobicContact CG1-CG 4.41Å; V37-L65 WeakPolarHBondContact CA-O 3.08Å
38	L	74.7	Confident	65.4	Low	9 Å²	9	66.7 Å²	66.7	5%	0.047	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.4	174	-62.9	171.7	0	0	0	108.1	L15 L22 M27 V36 L41 K64 L65	L15-L38 HydrophobicContact CD1-CD1 3.79Å; L22-L38 HydrophobicContact CD1-CD1 4.43Å; M27-L38 HydrophobicContact CG-CD2 4.15Å; V36-L38 HydrophobicContact CG1-CG 4.38Å; L38-L41 HydrophobicContact CB-CD1 3.87Å; L38-L41 HydrophobicContact CB-CD2 4.18Å; L38-L41 HydrophobicContact CB-CG 4.24Å; L38-L41 HydrophobicContact CD1-CD1 4.21Å; L38-K64 CarbonylContact O-C 3.52Å; L38-K64 WeakPolarHBondContact O-CA 3.37Å; L38-L65 HydrophobicContact CB-CB 4.38Å; L38-L65 HydrophobicContact CD1-CD2 4.31Å; L38-L65 PolarHBondContact N-O 2.74Å; L38-L65 PolarHBondContact O-N 3.02Å
39	N	80.6	Confident	66.4	Low	87 Å²	87	65.6 Å²	65.6	47%	0.465	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	154.5	-178.5	-53.2	-64.4	0	0	0	110.5	L41 E63	N39-L41 PolarHBondContact O-N 2.88Å; N39-E63 CarbonylContact C-O 3.56Å; N39-E63 WeakPolarHBondContact CA-O 3.4Å
40	N	78.8	Confident	67.1	Low	107 Å²	107	61.8 Å²	61.8	57%	0.572	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.8	46	171.3	-57.7	-17.7	0	0	0	114.2	N42 F61 L62 E63	N40-N42 PolarHBondContact O-N 2.94Å; N40-F61 VanDerWaalsContact CA-CE2 3.49Å; N40-F61 HydrophobicContact CB-CE2 3.75Å; N40-F61 HydrophobicContact CB-CZ 3.93Å; N40-F61 WeakPolarHBondContact OD1-CZ 3.11Å; N40-L62 PolarHBondContact N-O 3.36Å; N40-E63 PolarHBondContact N-O 3.44Å
41	L	77.2	Confident	67.4	Low	8 Å²	8	61.7 Å²	61.7	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	115.1	-176.9	-61.5	-176.8	0	0	0	111.1	V19 L38 N39 L62 L65	V19-L41 HydrophobicContact CG1-CB 3.85Å; V19-L41 HydrophobicContact CG1-CD1 4.43Å; V19-L41 HydrophobicContact CG1-CD2 4.06Å; V19-L41 HydrophobicContact CG1-CG 4.34Å; V19-L41 HydrophobicContact CG2-CB 4.48Å; V19-L41 HydrophobicContact CG2-CD1 4.42Å; L38-L41 HydrophobicContact CB-CD1 3.87Å; L38-L41 HydrophobicContact CB-CD2 4.18Å; L38-L41 HydrophobicContact CB-CG 4.24Å; L38-L41 HydrophobicContact CD1-CD1 4.21Å; N39-L41 PolarHBondContact O-N 2.88Å; L41-L62 HydrophobicContact CB-CB 4.19Å; L41-L62 HydrophobicContact CD1-CD2 4.32Å; L41-L62 PolarHBondContact N-O 2.91Å; L41-L62 PolarHBondContact O-N 3.12Å; L41-L65 HydrophobicContact CD1-CB 4.36Å; L41-L65 HydrophobicContact CD1-CD2 4.23Å
42	N	82	Confident	67.8	Low	77 Å²	77	66.7 Å²	66.7	41%	0.412	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	138.3	173.4	-74.4	-4.8	0	0	0	111.3	V19 E20 N40	V19-N42 CarbonylContact C-O 3.57Å; V19-N42 VanDerWaalsContact CA-O 3.3Å; V19-N42 WeakPolarHBondContact CA-O 3.24Å; V19-N42 WeakPolarHBondContact CG1-O 3.38Å; E20-N42 HydrophobicContact CB-CB 4.2Å; E20-N42 PolarHBondContact N-O 2.75Å; N40-N42 PolarHBondContact O-N 2.94Å
43	L	82.5	Confident	68.5	Low	30 Å²	30	57.7 Å²	57.7	16%	0.157	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-90	137.4	174.6	-61	177.7	0	0	0	111.4	Y18 V19 L57 G60 L86 V88	Y18-L43 CarbonylContact O-C 3.56Å; Y18-L43 VanDerWaalsContact O-CA 3.3Å; Y18-L43 WeakPolarHBondContact O-CA 3.17Å; V19-L43 HydrophobicContact CG2-CD2 4.45Å; L43-L57 HydrophobicContact CB-CD2 3.9Å; L43-G60 PolarHBondContact N-O 3.12Å; L43-L86 HydrophobicContact CD1-CD1 4.19Å; L43-V88 HydrophobicContact CD1-CG2 4.14Å
44	K	78.2	Confident	68.9	Low	66 Å²	66	57.6 Å²	57.6	29%	0.287	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-63.8	143.2	178.7	-82.3	173.1	168.8	178.1	0	112.4	G16 S17 Y18 V19 E20 T46 A47 L57	G16-K44 PolarHBondContact O-NZ 3.34Å; S17-K44 WeakPolarHBondContact O-CD 3.2Å; Y18-K44 PolarHBondContact O-N 3.17Å; V19-K44 WeakPolarHBondContact O-CE 3.42Å; E20-K44 HydrophobicContact CB-CG 4.47Å; E20-K44 HydrophobicContact CG-CB 4.32Å; E20-K44 HydrophobicContact CG-CG 3.48Å; E20-K44 VanDerWaalsContact CG-CG 3.48Å; K44-T46 PolarHBondContact O-N 3.04Å; K44-A47 WeakPolarHBondContact O-CB 3.5Å; K44-A47 PolarHBondContact O-N 3.16Å; K44-L57 WeakPolarHBondContact O-CD2 3.25Å
45	D	73.6	Confident	69.5	Low	79 Å²	79	58.3 Å²	58.3	42%	0.422	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.2	-37.9	170.5	-111.7	8	0	0	0	114.1	K56	D45-K56 IonicContact OD1-NZ 3.51Å; D45-K56 PolarHBondContact OD1-NZ 3.29Å; D45-K56 VanDerWaalsContact OD2-CE 3.31Å; D45-K56 WeakPolarHBondContact OD2-CE 3.33Å; D45-K56 IonicContact OD2-NZ 3.31Å; D45-K56 PolarHBondContact OD2-NZ 3.23Å
46	T	72.8	Confident	70	Confident	77 Å²	77	58.8 Å²	58.8	47%	0.472	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.8	-177.9	60.5	0	0	0	0	114.2	K44 L48 D49	K44-T46 PolarHBondContact O-N 3.04Å; T46-L48 PolarHBondContact O-N 3.33Å; T46-D49 WeakPolarHBondContact CA-OD2 3.46Å; T46-D49 WeakPolarHBondContact CB-OD2 3.27Å; T46-D49 WeakPolarHBondContact CG2-OD2 3.36Å; T46-D49 WeakPolarHBondContact O-CB 3.28Å; T46-D49 PolarHBondContact O-N 3.05Å; T46-D49 VanDerWaalsContact O-N 3.09Å
47	A	70.2	Confident	70.5	Confident	14 Å²	14	57.6 Å²	57.6	12%	0.116	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.9	-173.4	0	0	0	0	0	114.3	Y18 K44	Y18-A47 HydrophobicContact CD1-CB 3.86Å; K44-A47 WeakPolarHBondContact O-CB 3.5Å; K44-A47 PolarHBondContact O-N 3.16Å
48	L	70.4	Confident	71.2	Confident	29 Å²	29	59.6 Å²	59.6	15%	0.152	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-8.6	176.9	-58.1	-178.8	0	0	0	113.7	T46 D50 L51 V55 L57 V88 A90	T46-L48 PolarHBondContact O-N 3.33Å; L48-D50 VanDerWaalsContact C-N 3.26Å; L48-D50 PolarHBondContact O-N 2.76Å; L48-L51 HydrophobicContact CB-CD1 4.49Å; L48-L51 HydrophobicContact CD2-CD1 3.9Å; L48-L51 WeakPolarHBondContact O-CB 3.34Å; L48-L51 PolarHBondContact O-N 3.44Å; L48-L51 VanDerWaalsContact O-N 3.09Å; L48-V55 HydrophobicContact CD1-CG2 4.27Å; L48-L57 HydrophobicContact CD1-CB 4.1Å; L48-L57 HydrophobicContact CD1-CD1 3.82Å; L48-L57 HydrophobicContact CG-CB 4.33Å; L48-L57 HydrophobicContact CG-CD1 4.23Å; L48-V88 HydrophobicContact CD1-CG1 4.49Å; L48-A90 HydrophobicContact CD1-CB 4.05Å
49	D	64.5	Low	71.6	Confident	95 Å²	95	62.6 Å²	62.6	51%	0.508	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-62.8	-35	-175	-66.7	-8.9	0	0	0	111.7	T46 L51 D52	T46-D49 WeakPolarHBondContact CA-OD2 3.46Å; T46-D49 WeakPolarHBondContact CB-OD2 3.27Å; T46-D49 WeakPolarHBondContact CG2-OD2 3.36Å; T46-D49 WeakPolarHBondContact O-CB 3.28Å; T46-D49 PolarHBondContact O-N 3.05Å; T46-D49 VanDerWaalsContact O-N 3.09Å; D49-L51 PolarHBondContact O-N 3.48Å; D49-D52 PolarHBondContact O-N 3.16Å
50	D	57.8	Low	71.7	Confident	78 Å²	78	58.7 Å²	58.7	42%	0.417	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-62	-7.5	175.9	-84.7	-45.5	0	0	0	115	Y18 L48 K2019	Y18-D50 PolarHBondContact OH-OD2 3.38Å; L48-D50 VanDerWaalsContact C-N 3.26Å; L48-D50 PolarHBondContact O-N 2.76Å; D50-K2019 HydrophobicContact CB-CD 4.31Å; D50-K2019 WeakPolarHBondContact OD1-CE 3.38Å; D50-K2019 IonicContact OD1-NZ 3.78Å; D50-K2019 PolarHBondContact OD1-NZ 2.88Å; D50-K2019 WeakPolarHBondContact OD2-CE 3.46Å; D50-K2019 IonicContact OD2-NZ 3.71Å; D50-K2019 PolarHBondContact OD2-NZ 3.13Å
51	L	54	Low	71.9	Confident	38 Å²	38	56.7 Å²	56.7	20%	0.199	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-96.5	-3.6	-179.1	-57.7	174.9	0	0	0	113.5	L48 D49 L53	L48-L51 HydrophobicContact CB-CD1 4.49Å; L48-L51 HydrophobicContact CD2-CD1 3.9Å; L48-L51 WeakPolarHBondContact O-CB 3.34Å; L48-L51 PolarHBondContact O-N 3.44Å; L48-L51 VanDerWaalsContact O-N 3.09Å; D49-L51 PolarHBondContact O-N 3.48Å; L51-L53 VanDerWaalsContact C-N 3.29Å; L51-L53 HydrophobicContact CB-CD1 3.74Å; L51-L53 HydrophobicContact CB-CG 3.72Å; L51-L53 HydrophobicContact CD1-CD1 3.95Å; L51-L53 PolarHBondContact O-N 3.48Å
52	D	54	Low	72.2	Confident	158 Å²	158	57 Å²	57	85%	0.845	30%	0.304	S	S	*	.			trans	54.4	41	-177.7	-159.1	23.1	0	0	0	113.5	D49	D49-D52 PolarHBondContact O-N 3.16Å
53	L	56.3	Low	72.3	Confident	43 Å²	43	56 Å²	56	23%	0.225	30%	0.297	C	S	.	.			trans	-100.7	149.6	-176.6	-62.9	176.9	0	0	0	112.4	L51 V55 N93 M1960	L51-L53 VanDerWaalsContact C-N 3.29Å; L51-L53 HydrophobicContact CB-CD1 3.74Å; L51-L53 HydrophobicContact CB-CG 3.72Å; L51-L53 HydrophobicContact CD1-CD1 3.95Å; L51-L53 PolarHBondContact O-N 3.48Å; L53-V55 HydrophobicContact CB-CG1 4.41Å; L53-V55 HydrophobicContact CB-CG2 3.86Å; L53-V55 HydrophobicContact CD1-CG2 4.09Å; L53-V55 PolarHBondContact O-N 2.82Å; L53-N93 PolarHBondContact O-ND2 3.37Å; L53-M1960 HydrophobicContact CD1-CE 3.9Å; L53-M1960 HydrophobicContact CD1-SD 3.68Å; L53-M1960 HydrophobicContact CD2-CE 3.9Å; L53-M1960 HydrophobicContact CD2-CG 3.92Å; L53-M1960 HydrophobicContact CD2-SD 3.85Å; L53-M1960 HydrophobicContact CG-SD 4.34Å
54	P	61.6	Low	72.3	Confident	54 Å²	54	56.7 Å²	56.7	35%	0.351	30%	0.299	S	S	.	.	S	Bend	trans	-76.2	31.4	172.4	33.7	-35.8	0	0	0	113.1	N93 Q279	P54-N93 VanDerWaalsContact C-CG 3.5Å; P54-N93 WeakPolarHBondContact O-CB 3.47Å; P54-N93 PolarHBondContact O-N 3.26Å; P54-Q279 VanDerWaalsContact CG-OE1 3.27Å
55	V	69.5	Low	72.3	Confident	20 Å²	20	54.7 Å²	54.7	12%	0.121	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.1	-175.4	-42.2	0	0	0	0	111.1	L48 L53 A90 V91 N93 Y157	L48-V55 HydrophobicContact CD1-CG2 4.27Å; L53-V55 HydrophobicContact CB-CG1 4.41Å; L53-V55 HydrophobicContact CB-CG2 3.86Å; L53-V55 HydrophobicContact CD1-CG2 4.09Å; L53-V55 PolarHBondContact O-N 2.82Å; V55-A90 HydrophobicContact CB-CB 4.49Å; V55-A90 HydrophobicContact CG2-CB 4.25Å; V55-V91 CarbonylContact C-O 3.53Å; V55-V91 VanDerWaalsContact CA-O 3.23Å; V55-V91 WeakPolarHBondContact CA-O 3.5Å; V55-N93 PolarHBondContact N-ND2 2.89Å; V55-N93 PolarHBondContact O-OD1 2.7Å; V55-Y157 HydrophobicContact CB-CE2 4.24Å; V55-Y157 HydrophobicContact CG1-CD2 4.2Å; V55-Y157 HydrophobicContact CG1-CE2 3.54Å
56	K	72.2	Confident	72.6	Confident	77 Å²	77	51.2 Å²	51.2	34%	0.335	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.8	171.2	-161	-147.6	171	-135.2	0	109.8	D45 A90 V91 N93	D45-K56 IonicContact OD1-NZ 3.51Å; D45-K56 PolarHBondContact OD1-NZ 3.29Å; D45-K56 VanDerWaalsContact OD2-CE 3.31Å; D45-K56 WeakPolarHBondContact OD2-CE 3.33Å; D45-K56 IonicContact OD2-NZ 3.31Å; D45-K56 PolarHBondContact OD2-NZ 3.23Å; K56-A90 WeakPolarHBondContact O-CA 3.18Å; K56-V91 HydrophobicContact CB-CG2 4.49Å; K56-V91 PolarHBondContact N-O 2.99Å; K56-V91 PolarHBondContact O-N 2.88Å; K56-N93 WeakPolarHBondContact CB-OD1 3.35Å; K56-N93 PolarHBondContact N-OD1 2.68Å
57	L	80.6	Confident	72.6	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	135.2	162.7	-163.8	74.1	0	0	0	109.9	L43 K44 L48 S59 V88	L43-L57 HydrophobicContact CB-CD2 3.9Å; K44-L57 WeakPolarHBondContact O-CD2 3.25Å; L48-L57 HydrophobicContact CD1-CB 4.1Å; L48-L57 HydrophobicContact CD1-CD1 3.82Å; L48-L57 HydrophobicContact CG-CB 4.33Å; L48-L57 HydrophobicContact CG-CD1 4.23Å; L57-S59 WeakPolarHBondContact CD1-O 3.4Å; L57-V88 HydrophobicContact CD1-CG1 3.72Å
58	K	83	Confident	72.8	Confident	104 Å²	104	53 Å²	53	45%	0.452	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-31.2	175.5	168.8	179.4	165.1	-171.8	0	111.6	L89 V91 E158	K58-L89 HydrophobicContact CB-CD2 4.44Å; K58-L89 HydrophobicContact CB-CG 4.3Å; K58-L89 HydrophobicContact CD-CD2 3.78Å; K58-L89 HydrophobicContact CD-CG 4.13Å; K58-L89 HydrophobicContact CG-CD2 3.97Å; K58-L89 HydrophobicContact CG-CG 4.35Å; K58-L89 PolarHBondContact N-O 2.94Å; K58-V91 HydrophobicContact CB-CG1 4.12Å; K58-V91 HydrophobicContact CB-CG2 4.16Å; K58-V91 HydrophobicContact CD-CG1 3.51Å; K58-V91 HydrophobicContact CG-CG1 4.45Å; K58-E158 IonicContact NZ-OE2 2.64Å; K58-E158 PolarHBondContact NZ-OE2 3.1Å
59	S	83.7	Confident	72.7	Confident	71 Å²	71	52.4 Å²	52.4	50%	0.497	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	150.5	167.8	-179	0	0	0	0	108.3	L57 L89	L57-S59 WeakPolarHBondContact CD1-O 3.4Å; S59-L89 PolarHBondContact N-O 3.46Å; S59-L89 WeakPolarHBondContact O-CA 3.49Å; S59-L89 WeakPolarHBondContact O-CB 3.28Å; S59-L89 PolarHBondContact O-N 3.23Å
60	G	82.7	Confident	72.8	Confident	5 Å²	5	48.8 Å²	48.8	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	142.1	172	0	0	0	0	0	110.9	L43 Y87	L43-G60 PolarHBondContact N-O 3.12Å; G60-Y87 CarbonylContact C-O 3.59Å; G60-Y87 WeakPolarHBondContact CA-O 3.47Å
61	F	84.1	Confident	72.9	Confident	65 Å²	65	49.1 Å²	49.1	29%	0.285	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	139.6	-168.7	178.2	-100.3	0	0	0	110.7	N40 E63 Y87	N40-F61 VanDerWaalsContact CA-CE2 3.49Å; N40-F61 HydrophobicContact CB-CE2 3.75Å; N40-F61 HydrophobicContact CB-CZ 3.93Å; N40-F61 WeakPolarHBondContact OD1-CZ 3.11Å; F61-E63 HydrophobicContact CE1-CB 3.88Å; F61-E63 HydrophobicContact CE1-CG 4.47Å; F61-Y87 HydrophobicContact CD1-CD2 4.03Å; F61-Y87 PolarHBondContact N-O 3.36Å; F61-Y87 PolarHBondContact O-N 2.89Å
62	L	83.3	Confident	73.3	Confident	15 Å²	15	56 Å²	56	8%	0.079	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	106.5	176	170.2	57.7	0	0	0	109.3	N40 L41 K64 L65 V83 Q84 G85 L86	N40-L62 PolarHBondContact N-O 3.36Å; L41-L62 HydrophobicContact CB-CB 4.19Å; L41-L62 HydrophobicContact CD1-CD2 4.32Å; L41-L62 PolarHBondContact N-O 2.91Å; L41-L62 PolarHBondContact O-N 3.12Å; L62-K64 PolarHBondContact O-N 3.39Å; L62-L65 HydrophobicContact CD2-CB 4.2Å; L62-V83 HydrophobicContact CD1-CG1 3.56Å; L62-Q84 WeakPolarHBondContact CD1-O 3.46Å; L62-G85 CarbonylContact C-O 3.59Å; L62-G85 WeakPolarHBondContact CA-O 3.32Å; L62-L86 HydrophobicContact CB-CD1 4.49Å; L62-L86 HydrophobicContact CD1-CB 4.38Å
63	E	83.1	Confident	73.7	Confident	56 Å²	56	51.4 Å²	51.4	26%	0.262	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	-48.2	-172.1	-176	-165.7	141.9	0	0	112.3	N39 N40 F61 Q84 G85	N39-E63 CarbonylContact C-O 3.56Å; N39-E63 WeakPolarHBondContact CA-O 3.4Å; N40-E63 PolarHBondContact N-O 3.44Å; F61-E63 HydrophobicContact CE1-CB 3.88Å; F61-E63 HydrophobicContact CE1-CG 4.47Å; E63-Q84 WeakPolarHBondContact CB-O 3.37Å; E63-Q84 PolarHBondContact N-O 2.95Å; E63-Q84 PolarHBondContact OE1-NE2 3.01Å; E63-G85 PolarHBondContact N-O 3.16Å
64	K	82.1	Confident	73.9	Confident	44 Å²	44	51.8 Å²	51.8	19%	0.191	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	135.8	179	161.9	170.5	161.1	-96.3	0	112.6	V37 L38 L62 E82 Q84	V37-K64 HydrophobicContact CG1-CD 4.45Å; V37-K64 HydrophobicContact CG1-CG 4.41Å; L38-K64 CarbonylContact O-C 3.52Å; L38-K64 WeakPolarHBondContact O-CA 3.37Å; L62-K64 PolarHBondContact O-N 3.39Å; K64-E82 IonicContact NZ-OE1 3.88Å; K64-E82 IonicContact NZ-OE2 3.42Å; K64-E82 PolarHBondContact NZ-OE2 2.69Å; K64-Q84 HydrophobicContact CB-CB 4.11Å; K64-Q84 HydrophobicContact CB-CG 4.48Å; K64-Q84 HydrophobicContact CG-CB 4.45Å; K64-Q84 PolarHBondContact N-O 3.44Å; K64-Q84 PolarHBondContact O-N 2.99Å
65	L	79.8	Confident	73.5	Confident	24 Å²	24	57.5 Å²	57.5	13%	0.126	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	109.2	173.3	171.8	59.9	0	0	0	108.6	L15 V37 L38 L41 L62 V83	L15-L65 HydrophobicContact CD1-CD2 3.87Å; L15-L65 HydrophobicContact CD2-CD2 3.93Å; V37-L65 WeakPolarHBondContact CA-O 3.08Å; L38-L65 HydrophobicContact CB-CB 4.38Å; L38-L65 HydrophobicContact CD1-CD2 4.31Å; L38-L65 PolarHBondContact N-O 2.74Å; L38-L65 PolarHBondContact O-N 3.02Å; L41-L65 HydrophobicContact CD1-CB 4.36Å; L41-L65 HydrophobicContact CD1-CD2 4.23Å; L62-L65 HydrophobicContact CD2-CB 4.2Å; L65-V83 HydrophobicContact CD1-CG2 3.96Å
66	S	78.6	Confident	72.9	Confident	6 Å²	6	60.2 Å²	60.2	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.1	-177.8	167	0	0	0	0	109.3	V36 E82	V36-S66 CarbonylContact O-C 3.51Å; V36-S66 WeakPolarHBondContact O-CA 3.47Å; S66-E82 PolarHBondContact N-O 2.87Å; S66-E82 PolarHBondContact O-N 3.24Å
67	L	74.2	Confident	72.5	Confident	33 Å²	33	60.7 Å²	60.7	17%	0.173	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	113.7	-176.1	-158.3	84.7	0	0	0	109.2	L11 V36 I69 A81	L11-L67 HydrophobicContact CD1-CD2 4.32Å; L11-L67 HydrophobicContact CD2-CD2 4.19Å; V36-L67 HydrophobicContact CB-CB 4.28Å; V36-L67 PolarHBondContact N-O 3.05Å; V36-L67 PolarHBondContact O-N 3.49Å; L67-I69 HydrophobicContact CD2-CD1 3.85Å; L67-I69 HydrophobicContact CD2-CG1 4.09Å; L67-I69 HydrophobicContact CG-CG1 4.39Å; L67-A81 HydrophobicContact CD1-CB 3.74Å
68	K	73.9	Confident	71.9	Confident	96 Å²	96	61.5 Å²	61.5	42%	0.417	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	107.8	178.9	-45.1	-166.4	175.3	177	0	109.2	G34 N35 V79 V80	G34-K68 CarbonylContact O-C 3.53Å; G34-K68 WeakPolarHBondContact O-CA 3.44Å; N35-K68 VanDerWaalsContact OD1-CD 3.31Å; N35-K68 WeakPolarHBondContact OD1-CD 3.34Å; N35-K68 WeakPolarHBondContact OD1-CG 3.43Å; K68-V79 WeakPolarHBondContact O-CA 3.22Å; K68-V80 HydrophobicContact CB-CB 4.14Å; K68-V80 HydrophobicContact CG-CB 4.35Å; K68-V80 PolarHBondContact N-O 2.83Å; K68-V80 PolarHBondContact O-N 3.24Å
69	I	68.4	Low	71.3	Confident	17 Å²	17	57.1 Å²	57.1	9%	0.087	28%	0.278	C	S	.	.			trans	-107.8	110.3	175	-54.3	177.7	0	0	0	108	V7 G34 L67 W71 L74 V79	V7-I69 HydrophobicContact CG1-CD1 4.08Å; G34-I69 VanDerWaalsContact CA-O 3.26Å; G34-I69 WeakPolarHBondContact CA-O 3.37Å; G34-I69 PolarHBondContact O-N 2.87Å; L67-I69 HydrophobicContact CD2-CD1 3.85Å; L67-I69 HydrophobicContact CD2-CG1 4.09Å; L67-I69 HydrophobicContact CG-CG1 4.39Å; I69-W71 VanDerWaalsContact C-N 3.27Å; I69-W71 HydrophobicContact CB-CD2 4.28Å; I69-W71 HydrophobicContact CB-CH2 4.45Å; I69-W71 HydrophobicContact CB-CZ2 4.09Å; I69-W71 HydrophobicContact CD1-CH2 3.81Å; I69-W71 HydrophobicContact CD1-CZ2 3.8Å; I69-W71 HydrophobicContact CG2-CD2 3.74Å; I69-W71 HydrophobicContact CG2-CE3 3.67Å; I69-W71 HydrophobicContact CG2-CG 4.45Å; I69-W71 HydrophobicContact CG2-CH2 3.98Å; I69-W71 HydrophobicContact CG2-CZ2 4.03Å; I69-W71 HydrophobicContact CG2-CZ3 3.79Å; I69-W71 PolarHBondContact O-N 3.02Å; I69-L74 HydrophobicContact CG2-CD1 4.47Å; I69-L74 HydrophobicContact CG2-CD2 4.42Å; I69-V79 HydrophobicContact CG1-CG1 4.33Å
70	P	65.3	Low	70.9	Confident	18 Å²	18	55.1 Å²	55.1	12%	0.117	26%	0.263	C	S	.	.			trans	-78.5	74.5	-179.9	33.1	-35.9	0	0	0	110.6	K72 N73 L74 E77	P70-K72 PolarHBondContact O-N 2.83Å; P70-N73 HydrophobicContact CB-CB 4.28Å; P70-N73 CarbonylContact O-C 3.56Å; P70-N73 VanDerWaalsContact O-C 3.27Å; P70-N73 WeakPolarHBondContact O-CA 3.32Å; P70-N73 PolarHBondContact O-N 2.83Å; P70-L74 PolarHBondContact O-N 3.34Å; P70-E77 HydrophobicContact CB-CB 3.63Å; P70-E77 HydrophobicContact CB-CG 4.48Å; P70-E77 WeakPolarHBondContact CB-OE2 3.31Å; P70-E77 HydrophobicContact CG-CB 3.65Å
71	W	61.2	Low	70.6	Confident	85 Å²	85	55.5 Å²	55.5	32%	0.322	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-36.6	-171.1	-62.5	116.9	0	0	0	115.5	V7 I69 L74	V7-W71 HydrophobicContact CB-CH2 3.88Å; V7-W71 HydrophobicContact CG1-CH2 3.94Å; V7-W71 HydrophobicContact CG2-CH2 3.79Å; V7-W71 HydrophobicContact CG2-CZ3 4.15Å; I69-W71 VanDerWaalsContact C-N 3.27Å; I69-W71 HydrophobicContact CB-CD2 4.28Å; I69-W71 HydrophobicContact CB-CH2 4.45Å; I69-W71 HydrophobicContact CB-CZ2 4.09Å; I69-W71 HydrophobicContact CD1-CH2 3.81Å; I69-W71 HydrophobicContact CD1-CZ2 3.8Å; I69-W71 HydrophobicContact CG2-CD2 3.74Å; I69-W71 HydrophobicContact CG2-CE3 3.67Å; I69-W71 HydrophobicContact CG2-CG 4.45Å; I69-W71 HydrophobicContact CG2-CH2 3.98Å; I69-W71 HydrophobicContact CG2-CZ2 4.03Å; I69-W71 HydrophobicContact CG2-CZ3 3.79Å; I69-W71 PolarHBondContact O-N 3.02Å; W71-L74 HydrophobicContact CE3-CD1 4.22Å
72	K	60.8	Low	70.4	Confident	184 Å²	184	54.1 Å²	54.1	80%	0.8	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-24.4	178.6	-62.7	-178.7	-179.9	178.7	0	113.1	P70	P70-K72 PolarHBondContact O-N 2.83Å
73	N	62.9	Low	70.3	Confident	61 Å²	61	54.4 Å²	54.4	33%	0.326	26%	0.262	S	S	.	.			trans	-127.4	29.1	-164.4	-72.5	-13.1	0	0	0	111.9	P70 Y75 T76 E77	P70-N73 HydrophobicContact CB-CB 4.28Å; P70-N73 CarbonylContact O-C 3.56Å; P70-N73 VanDerWaalsContact O-C 3.27Å; P70-N73 WeakPolarHBondContact O-CA 3.32Å; P70-N73 PolarHBondContact O-N 2.83Å; N73-Y75 PolarHBondContact O-N 2.66Å; N73-T76 VanDerWaalsContact CA-OG1 3.31Å; N73-T76 WeakPolarHBondContact CA-OG1 3.41Å; N73-T76 VanDerWaalsContact CB-OG1 3.23Å; N73-T76 WeakPolarHBondContact CB-OG1 3.23Å; N73-T76 CarbonylContact O-C 3.51Å; N73-T76 PolarHBondContact O-N 3.32Å; N73-T76 PolarHBondContact O-OG1 3.37Å; N73-E77 HydrophobicContact CB-CB 3.9Å; N73-E77 HydrophobicContact CB-CG 3.79Å; N73-E77 PolarHBondContact ND2-OE1 2.91Å; N73-E77 PolarHBondContact O-N 3.08Å
74	L	60	Low	70.3	Confident	51 Å²	51	54.1 Å²	54.1	27%	0.267	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-13.4	-177.9	-96.8	158	0	0	0	115.3	I69 P70 W71 V79 V142	I69-L74 HydrophobicContact CG2-CD1 4.47Å; I69-L74 HydrophobicContact CG2-CD2 4.42Å; P70-L74 PolarHBondContact O-N 3.34Å; W71-L74 HydrophobicContact CE3-CD1 4.22Å; L74-V79 HydrophobicContact CD2-CG2 3.93Å; L74-V142 HydrophobicContact CD2-CG2 4.31Å
75	Y	53.5	Low	70.3	Confident	173 Å²	173	52 Å²	52	68%	0.678	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-13.5	171.8	-66.4	-84.5	0	0	0	113.7	N73	N73-Y75 PolarHBondContact O-N 2.66Å
76	T	57.5	Low	70.5	Confident	77 Å²	77	52.9 Å²	52.9	47%	0.472	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-6.4	-167.8	44.2	0	0	0	0	114.2	N73	N73-T76 VanDerWaalsContact CA-OG1 3.31Å; N73-T76 WeakPolarHBondContact CA-OG1 3.41Å; N73-T76 VanDerWaalsContact CB-OG1 3.23Å; N73-T76 WeakPolarHBondContact CB-OG1 3.23Å; N73-T76 CarbonylContact O-C 3.51Å; N73-T76 PolarHBondContact O-N 3.32Å; N73-T76 PolarHBondContact O-OG1 3.37Å
77	E	64.5	Low	71	Confident	87 Å²	87	56.8 Å²	56.8	41%	0.407	27%	0.27	S	S	.	.	S	Bend	trans	-138.2	155.6	175.9	-75.9	173.3	-160.2	0	0	110.3	P70 N73	P70-E77 HydrophobicContact CB-CB 3.63Å; P70-E77 HydrophobicContact CB-CG 4.48Å; P70-E77 WeakPolarHBondContact CB-OE2 3.31Å; P70-E77 HydrophobicContact CG-CB 3.65Å; N73-E77 HydrophobicContact CB-CB 3.9Å; N73-E77 HydrophobicContact CB-CG 3.79Å; N73-E77 PolarHBondContact ND2-OE1 2.91Å; N73-E77 PolarHBondContact O-N 3.08Å
78	A	67.9	Low	71.5	Confident	19 Å²	19	56.1 Å²	56.1	16%	0.157	27%	0.268	C	S	.	.			trans	-86.4	147.3	-178.7	0	0	0	0	0	112.4	N145 Q147	A78-N145 WeakPolarHBondContact CB-O 3.36Å; A78-Q147 HydrophobicContact CB-CG 4.04Å
79	V	70.6	Confident	72.1	Confident	13 Å²	13	53.3 Å²	53.3	8%	0.079	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	126.6	165.7	178	0	0	0	0	107.7	K68 I69 L74 V142 N145 L146 Q147	K68-V79 WeakPolarHBondContact O-CA 3.22Å; I69-V79 HydrophobicContact CG1-CG1 4.33Å; L74-V79 HydrophobicContact CD2-CG2 3.93Å; V79-V142 HydrophobicContact CG2-CG1 4.24Å; V79-N145 PolarHBondContact N-O 3.21Å; V79-L146 HydrophobicContact CB-CD1 4.04Å; V79-L146 HydrophobicContact CG1-CD1 3.76Å; V79-Q147 PolarHBondContact O-N 3.03Å
80	V	74.7	Confident	72.9	Confident	29 Å²	29	52.9 Å²	52.9	18%	0.176	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.5	-177.8	-173.2	0	0	0	0	110.2	K68 Q147 I149	K68-V80 HydrophobicContact CB-CB 4.14Å; K68-V80 HydrophobicContact CG-CB 4.35Å; K68-V80 PolarHBondContact N-O 2.83Å; K68-V80 PolarHBondContact O-N 3.24Å; V80-Q147 WeakPolarHBondContact CA-O 3.34Å; V80-Q147 HydrophobicContact CG2-CB 4.41Å; V80-I149 HydrophobicContact CG1-CD1 4.49Å
81	A	75.6	Confident	73.6	Confident	13 Å²	13	53.6 Å²	53.6	11%	0.107	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	112.3	170.8	0	0	0	0	0	109.9	L67 Q147 V148 I149	L67-A81 HydrophobicContact CD1-CB 3.74Å; A81-Q147 PolarHBondContact N-O 2.58Å; A81-V148 HydrophobicContact CB-CG2 4.48Å; A81-V148 WeakPolarHBondContact O-CA 3.2Å; A81-I149 PolarHBondContact O-N 3.13Å
82	E	80.9	Confident	74.4	Confident	35 Å²	35	49.7 Å²	49.7	16%	0.164	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.8	176	178.2	-173.5	-135.9	0	0	109.6	K64 S66 I149 R151	K64-E82 IonicContact NZ-OE1 3.88Å; K64-E82 IonicContact NZ-OE2 3.42Å; K64-E82 PolarHBondContact NZ-OE2 2.69Å; S66-E82 PolarHBondContact N-O 2.87Å; S66-E82 PolarHBondContact O-N 3.24Å; E82-I149 CarbonylContact C-O 3.58Å; E82-I149 WeakPolarHBondContact CA-O 3.27Å; E82-R151 IonicContact OE1-NH1 2.72Å
83	V	81.2	Confident	74.6	Confident	22 Å²	22	45 Å²	45	13%	0.133	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.5	177.6	-173.5	0	0	0	0	107.6	L62 L65 I149 I150 R151	L62-V83 HydrophobicContact CD1-CG1 3.56Å; L65-V83 HydrophobicContact CD1-CG2 3.96Å; V83-I149 PolarHBondContact N-O 2.82Å; V83-I150 HydrophobicContact CB-CB 4.37Å; V83-I150 HydrophobicContact CB-CG1 4.18Å; V83-I150 HydrophobicContact CB-CG2 4.04Å; V83-I150 HydrophobicContact CG1-CG2 4.17Å; V83-I150 HydrophobicContact CG2-CG1 4.32Å; V83-I150 CarbonylContact O-C 3.4Å; V83-I150 WeakPolarHBondContact O-CA 3.29Å; V83-R151 PolarHBondContact O-N 2.89Å
84	Q	83.7	Confident	74.4	Confident	50 Å²	50	44.7 Å²	44.7	23%	0.234	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.6	-175.2	170.4	177.7	-16.6	0	0	109.2	L62 E63 K64 R151	L62-Q84 WeakPolarHBondContact CD1-O 3.46Å; E63-Q84 WeakPolarHBondContact CB-O 3.37Å; E63-Q84 PolarHBondContact N-O 2.95Å; E63-Q84 PolarHBondContact OE1-NE2 3.01Å; K64-Q84 HydrophobicContact CB-CB 4.11Å; K64-Q84 HydrophobicContact CB-CG 4.48Å; K64-Q84 HydrophobicContact CG-CB 4.45Å; K64-Q84 PolarHBondContact N-O 3.44Å; K64-Q84 PolarHBondContact O-N 2.99Å; Q84-R151 CarbonylContact C-O 3.54Å; Q84-R151 WeakPolarHBondContact CA-O 3.44Å
85	G	81.9	Confident	73.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.6	67	171.6	0	0	0	0	0	113.6	L62 E63 Y87 R151 N152	L62-G85 CarbonylContact C-O 3.59Å; L62-G85 WeakPolarHBondContact CA-O 3.32Å; E63-G85 PolarHBondContact N-O 3.16Å; G85-Y87 VanDerWaalsContact C-CD2 3.47Å; G85-Y87 WeakPolarHBondContact O-CD2 3.37Å; G85-Y87 WeakPolarHBondContact O-CE2 3.17Å; G85-R151 PolarHBondContact N-O 2.86Å; G85-N152 CarbonylContact C-O 3.5Å; G85-N152 WeakPolarHBondContact CA-O 3.49Å
86	L	84	Confident	73.4	Confident	41 Å²	41	39.3 Å²	39.3	22%	0.215	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	102	175.9	177	60.1	0	0	0	110.2	L43 L62 V88 N152 I153 H154	L43-L86 HydrophobicContact CD1-CD1 4.19Å; L62-L86 HydrophobicContact CB-CD1 4.49Å; L62-L86 HydrophobicContact CD1-CB 4.38Å; L86-V88 HydrophobicContact CD1-CG2 4.22Å; L86-V88 HydrophobicContact CG-CG2 4.43Å; L86-N152 PolarHBondContact N-O 3.13Å; L86-I153 HydrophobicContact CB-CG2 4.49Å; L86-I153 HydrophobicContact CD2-CG2 4.3Å; L86-I153 HydrophobicContact CG-CG2 4.48Å; L86-I153 WeakPolarHBondContact O-CA 3.34Å; L86-H154 PolarHBondContact O-N 3.06Å
87	Y	87.4	Confident	72.9	Confident	88 Å²	88	47.4 Å²	47.4	35%	0.345	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.4	-176.9	-54.3	-89.3	0	0	0	110.4	G60 F61 G85 H154	G60-Y87 CarbonylContact C-O 3.59Å; G60-Y87 WeakPolarHBondContact CA-O 3.47Å; F61-Y87 HydrophobicContact CD1-CD2 4.03Å; F61-Y87 PolarHBondContact N-O 3.36Å; F61-Y87 PolarHBondContact O-N 2.89Å; G85-Y87 VanDerWaalsContact C-CD2 3.47Å; G85-Y87 WeakPolarHBondContact O-CD2 3.37Å; G85-Y87 WeakPolarHBondContact O-CE2 3.17Å; Y87-H154 WeakPolarHBondContact CA-O 3.39Å; Y87-H154 HydrophobicContact CD1-CB 3.91Å; Y87-H154 HydrophobicContact CE1-CB 4.33Å
88	V	85.9	Confident	72	Confident	20 Å²	20	47.4 Å²	47.4	12%	0.121	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.1	-174.9	179.2	0	0	0	0	110.2	L43 L48 L57 L86 H154 I155 R156	L43-V88 HydrophobicContact CD1-CG2 4.14Å; L48-V88 HydrophobicContact CD1-CG1 4.49Å; L57-V88 HydrophobicContact CD1-CG1 3.72Å; L86-V88 HydrophobicContact CD1-CG2 4.22Å; L86-V88 HydrophobicContact CG-CG2 4.43Å; V88-H154 PolarHBondContact N-O 2.94Å; V88-I155 HydrophobicContact CB-CG1 4.29Å; V88-I155 HydrophobicContact CB-CG2 4.31Å; V88-I155 HydrophobicContact CG1-CG2 4.37Å; V88-R156 PolarHBondContact O-N 3.3Å
89	L	87	Confident	71	Confident	37 Å²	37	49.8 Å²	49.8	19%	0.194	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	112.7	177.9	-175.3	64.9	0	0	0	110.9	K58 S59 R156 E158	K58-L89 HydrophobicContact CB-CD2 4.44Å; K58-L89 HydrophobicContact CB-CG 4.3Å; K58-L89 HydrophobicContact CD-CD2 3.78Å; K58-L89 HydrophobicContact CD-CG 4.13Å; K58-L89 HydrophobicContact CG-CD2 3.97Å; K58-L89 HydrophobicContact CG-CG 4.35Å; K58-L89 PolarHBondContact N-O 2.94Å; S59-L89 PolarHBondContact N-O 3.46Å; S59-L89 WeakPolarHBondContact O-CA 3.49Å; S59-L89 WeakPolarHBondContact O-CB 3.28Å; S59-L89 PolarHBondContact O-N 3.23Å; L89-R156 WeakPolarHBondContact CA-O 3.4Å; L89-R156 HydrophobicContact CD1-CB 4.03Å; L89-R156 HydrophobicContact CD1-CG 3.79Å; L89-E158 HydrophobicContact CD1-CG 3.83Å
90	A	83.8	Confident	70.3	Confident	8 Å²	8	54.5 Å²	54.5	7%	0.066	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	153.8	-178.8	0	0	0	0	0	112.8	L48 V55 K56 R156 Y157 E158	L48-A90 HydrophobicContact CD1-CB 4.05Å; V55-A90 HydrophobicContact CB-CB 4.49Å; V55-A90 HydrophobicContact CG2-CB 4.25Å; K56-A90 WeakPolarHBondContact O-CA 3.18Å; A90-R156 PolarHBondContact N-O 2.88Å; A90-Y157 HydrophobicContact CB-CD2 4.22Å; A90-Y157 WeakPolarHBondContact O-CA 3.23Å; A90-E158 PolarHBondContact O-N 3.48Å
91	V	81.8	Confident	69.5	Low	32 Å²	32	55.5 Å²	55.5	19%	0.194	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156.4	178.9	-66.6	0	0	0	0	112.3	V55 K56 K58 E158	V55-V91 CarbonylContact C-O 3.53Å; V55-V91 VanDerWaalsContact CA-O 3.23Å; V55-V91 WeakPolarHBondContact CA-O 3.5Å; K56-V91 HydrophobicContact CB-CG2 4.49Å; K56-V91 PolarHBondContact N-O 2.99Å; K56-V91 PolarHBondContact O-N 2.88Å; K58-V91 HydrophobicContact CB-CG1 4.12Å; K58-V91 HydrophobicContact CB-CG2 4.16Å; K58-V91 HydrophobicContact CD-CG1 3.51Å; K58-V91 HydrophobicContact CG-CG1 4.45Å; V91-E158 HydrophobicContact CG1-CB 4.33Å
92	P	76.3	Confident	69.1	Low	4 Å²	4	59.1 Å²	59.1	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	139	176.4	-21.1	29.4	0	0	0	113.9	A94 G95 Y157 E158 D159 F161	P92-A94 PolarHBondContact O-N 3.1Å; P92-G95 PolarHBondContact O-N 3.22Å; P92-G95 VanDerWaalsContact O-N 3.15Å; P92-Y157 HydrophobicContact CG-CE2 4.31Å; P92-Y157 WeakPolarHBondContact CG-OH 3.35Å; P92-E158 WeakPolarHBondContact CD-O 3.44Å; P92-D159 HydrophobicContact CG-CB 4.18Å; P92-F161 HydrophobicContact CB-CD2 4.04Å; P92-F161 HydrophobicContact CG-CD2 3.88Å
93	N	66	Low	68.2	Low	84 Å²	84	59.9 Å²	59.9	45%	0.449	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-61.3	-14.5	175.8	-78.8	-18.6	0	0	0	114.1	L53 P54 V55 K56 G95	L53-N93 PolarHBondContact O-ND2 3.37Å; P54-N93 VanDerWaalsContact C-CG 3.5Å; P54-N93 WeakPolarHBondContact O-CB 3.47Å; P54-N93 PolarHBondContact O-N 3.26Å; V55-N93 PolarHBondContact N-ND2 2.89Å; V55-N93 PolarHBondContact O-OD1 2.7Å; K56-N93 WeakPolarHBondContact CB-OD1 3.35Å; K56-N93 PolarHBondContact N-OD1 2.68Å; N93-G95 PolarHBondContact O-N 2.56Å
94	A	57.3	Low	67.6	Low	55 Å²	55	65.4 Å²	65.4	46%	0.455	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-66	-19.1	174.7	0	0	0	0	0	114.3	P92 A96 F161 F282	P92-A94 PolarHBondContact O-N 3.1Å; A94-A96 PolarHBondContact O-N 3.27Å; A94-F161 HydrophobicContact CB-CB 4.49Å; A94-F161 HydrophobicContact CB-CG 4.46Å; A94-F282 HydrophobicContact CB-CD1 4.23Å; A94-F282 HydrophobicContact CB-CE1 3.72Å; A94-F282 HydrophobicContact CB-CZ 4.24Å
95	G	51.2	Low	66.8	Low	40 Å²	40	70 Å²	70	41%	0.412	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-74.3	-19.3	-175.8	0	0	0	0	0	115.8	P92 N93 R97	P92-G95 PolarHBondContact O-N 3.22Å; P92-G95 VanDerWaalsContact O-N 3.15Å; N93-G95 PolarHBondContact O-N 2.56Å; G95-R97 PolarHBondContact O-N 3.28Å
96	A	42.6	Very low	65.9	Low	72 Å²	72	73.5 Å²	73.5	60%	0.595	40%	0.4	S	S	*	.	S	Bend	trans	-82.3	115	177.3	0	0	0	0	0	110.8	A94 V98	A94-A96 PolarHBondContact O-N 3.27Å; A96-V98 PolarHBondContact O-N 2.89Å
97	R	45.9	Very low	65	Low	247 Å²	247	77.7 Å²	77.7	93%	0.932	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.9	97.7	-177.8	-75.4	178.5	169.8	170.1	-4	113.6	G95 S99	G95-R97 PolarHBondContact O-N 3.28Å; R97-S99 PolarHBondContact O-N 2.93Å; R97-S99 VanDerWaalsContact O-N 3.12Å
98	V	46.8	Very low	64.2	Low	86 Å²	86	79.4 Å²	79.4	52%	0.521	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	23.5	71.4	165.6	-163.9	0	0	0	0	114.5	A96 V100 F294	A96-V98 PolarHBondContact O-N 2.89Å; V98-V100 PolarHBondContact O-N 3.47Å; V98-F294 HydrophobicContact CG1-CD1 3.77Å; V98-F294 HydrophobicContact CG1-CE1 3.93Å
99	S	47.2	Very low	63.1	Low	70 Å²	70	82 Å²	82	49%	0.49	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-62	132.8	177.9	34.9	0	0	0	0	111.6	R97 R289	R97-S99 PolarHBondContact O-N 2.93Å; R97-S99 VanDerWaalsContact O-N 3.12Å; S99-R289 PolarHBondContact O-NH2 3.39Å; S99-R289 PolarHBondContact OG-NH2 3.27Å
100	V	54.8	Low	61.9	Low	112 Å²	112	86.6 Å²	86.6	68%	0.679	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-66	141.3	-171.9	-175.6	0	0	0	0	111.3	V98 N102	V98-V100 PolarHBondContact O-N 3.47Å; V100-N102 PolarHBondContact O-N 3.15Å
101	Y	58.5	Low	60.9	Low	50 Å²	50	88.6 Å²	88.6	20%	0.196	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-67.2	117	172.5	172.9	-94	0	0	0	110	A103 E106 K290	Y101-A103 HydrophobicContact CE1-CB 3.9Å; Y101-E106 VanDerWaalsContact CD2-OE1 3.24Å; Y101-E106 WeakPolarHBondContact CD2-OE1 3.37Å; Y101-E106 VanDerWaalsContact CE2-CD 3.45Å; Y101-E106 HydrophobicContact CE2-CG 4.45Å; Y101-E106 WeakPolarHBondContact CE2-OE2 3.38Å; Y101-K290 HydrophobicContact CD2-CB 4.12Å; Y101-K290 HydrophobicContact CE1-CD 4.43Å; Y101-K290 HydrophobicContact CE1-CG 3.99Å; Y101-K290 HydrophobicContact CE2-CB 3.75Å; Y101-K290 HydrophobicContact CE2-CD 4.27Å; Y101-K290 HydrophobicContact CE2-CG 3.92Å; Y101-K290 WeakPolarHBondContact OH-CD 3.3Å
102	N	66.6	Low	60.3	Low	88 Å²	88	93 Å²	93	47%	0.471	50%	0.496	S	S	.	.			trans	-109.3	108.7	175.8	-178.8	-35.5	0	0	0	109.2	V100 E104 K105 E106	V100-N102 PolarHBondContact O-N 3.15Å; N102-E104 PolarHBondContact O-N 3.41Å; N102-E104 PolarHBondContact OD1-N 2.84Å; N102-E104 VanDerWaalsContact OD1-N 3.14Å; N102-K105 HydrophobicContact CB-CB 4.1Å; N102-K105 PolarHBondContact O-N 2.97Å; N102-K105 PolarHBondContact OD1-N 3.01Å; N102-K105 VanDerWaalsContact OD1-N 3.09Å; N102-E106 PolarHBondContact O-N 2.76Å; N102-E106 VanDerWaalsContact O-N 3.1Å
103	A	63.2	Low	59.7	Low	52 Å²	52	95.7 Å²	95.7	43%	0.43	52%	0.519	S	S	.	.	H	α-helix	trans	-61.1	-43.2	-175.1	0	0	0	0	0	113.1	Y101 K105 E106 E107	Y101-A103 HydrophobicContact CE1-CB 3.9Å; A103-K105 VanDerWaalsContact C-N 3.35Å; A103-K105 PolarHBondContact O-N 2.87Å; A103-E106 PolarHBondContact O-N 2.82Å; A103-E107 WeakPolarHBondContact O-CB 3.16Å; A103-E107 PolarHBondContact O-N 3.03Å
104	E	67	Low	59.9	Low	137 Å²	137	93.8 Å²	93.8	64%	0.64	51%	0.506	S	S	*	.	H	α-helix	trans	-67.3	-36.4	-179.5	-63.7	-169.8	179.4	0	0	112.4	N102 K108	N102-E104 PolarHBondContact O-N 3.41Å; N102-E104 PolarHBondContact OD1-N 2.84Å; N102-E104 VanDerWaalsContact OD1-N 3.14Å; E104-K108 WeakPolarHBondContact O-CB 3.48Å; E104-K108 WeakPolarHBondContact O-CG 3.48Å; E104-K108 PolarHBondContact O-N 3.44Å; E104-K108 VanDerWaalsContact O-N 3.12Å
105	K	67.6	Low	60.4	Low	148 Å²	148	95.5 Å²	95.5	64%	0.643	50%	0.504	S	S	*	.	H	α-helix	trans	-67.2	-50.6	177.1	-169.3	176.1	-179.2	-179.7	0	110.5	N102 A103 E107 K108 T109	N102-K105 HydrophobicContact CB-CB 4.1Å; N102-K105 PolarHBondContact O-N 2.97Å; N102-K105 PolarHBondContact OD1-N 3.01Å; N102-K105 VanDerWaalsContact OD1-N 3.09Å; A103-K105 VanDerWaalsContact C-N 3.35Å; A103-K105 PolarHBondContact O-N 2.87Å; K105-E107 PolarHBondContact O-N 3.27Å; K105-K108 PolarHBondContact O-N 3.44Å; K105-T109 PolarHBondContact O-N 2.94Å; K105-T109 PolarHBondContact O-OG1 3.3Å; K105-T109 VanDerWaalsContact O-OG1 3.07Å
106	E	64.1	Low	61.2	Low	72 Å²	72	96.3 Å²	96.3	34%	0.336	51%	0.507	S	S	.	.	H	α-helix	trans	-66.2	-35.2	179.6	-73.4	-169.3	-152.6	0	0	112.9	Y101 N102 A103 M110	Y101-E106 VanDerWaalsContact CD2-OE1 3.24Å; Y101-E106 WeakPolarHBondContact CD2-OE1 3.37Å; Y101-E106 VanDerWaalsContact CE2-CD 3.45Å; Y101-E106 HydrophobicContact CE2-CG 4.45Å; Y101-E106 WeakPolarHBondContact CE2-OE2 3.38Å; N102-E106 PolarHBondContact O-N 2.76Å; N102-E106 VanDerWaalsContact O-N 3.1Å; A103-E106 PolarHBondContact O-N 2.82Å; E106-M110 WeakPolarHBondContact O-CB 3.11Å; E106-M110 WeakPolarHBondContact O-CG 3.35Å; E106-M110 PolarHBondContact O-N 2.73Å
107	E	63.6	Low	62.2	Low	130 Å²	130	96 Å²	96	61%	0.607	49%	0.493	S	S	*	.	H	α-helix	trans	-67.9	-41.5	176.3	-173.7	163.5	-161.1	0	0	112.2	A103 K105 M110 V111	A103-E107 WeakPolarHBondContact O-CB 3.16Å; A103-E107 PolarHBondContact O-N 3.03Å; K105-E107 PolarHBondContact O-N 3.27Å; E107-M110 PolarHBondContact O-N 3.06Å; E107-V111 WeakPolarHBondContact O-CG2 3.26Å; E107-V111 PolarHBondContact O-N 2.91Å
108	K	70.2	Confident	63.2	Low	123 Å²	123	84.6 Å²	84.6	54%	0.535	45%	0.45	S	S	.	.	H	α-helix	trans	-59.5	-51.8	172.1	-76.2	170.3	-179.7	164.8	0	111.3	E104 K105 M110 V111 E112	E104-K108 WeakPolarHBondContact O-CB 3.48Å; E104-K108 WeakPolarHBondContact O-CG 3.48Å; E104-K108 PolarHBondContact O-N 3.44Å; E104-K108 VanDerWaalsContact O-N 3.12Å; K105-K108 PolarHBondContact O-N 3.44Å; K108-M110 VanDerWaalsContact C-N 3.32Å; K108-M110 PolarHBondContact O-N 3.16Å; K108-V111 PolarHBondContact O-N 2.83Å; K108-V111 VanDerWaalsContact O-N 3.12Å; K108-E112 WeakPolarHBondContact O-CB 3.46Å; K108-E112 WeakPolarHBondContact O-CG 3.2Å; K108-E112 PolarHBondContact O-N 3.08Å
109	T	63.6	Low	64.1	Low	76 Å²	76	89.4 Å²	89.4	47%	0.466	46%	0.459	S	S	.	.	H	α-helix	trans	-60.4	-38.6	179.4	-56.3	0	0	0	0	112.3	K105 E112 A113	K105-T109 PolarHBondContact O-N 2.94Å; K105-T109 PolarHBondContact O-OG1 3.3Å; K105-T109 VanDerWaalsContact O-OG1 3.07Å; T109-E112 PolarHBondContact O-N 3.02Å; T109-A113 VanDerWaalsContact O-CB 3.29Å; T109-A113 WeakPolarHBondContact O-CB 3.47Å; T109-A113 PolarHBondContact O-N 3.35Å
110	M	61.1	Low	65	Low	132 Å²	132	92.2 Å²	92.2	65%	0.65	46%	0.459	S	S	*	.	H	α-helix	trans	-67	-39.7	174.2	-78.5	-156.8	-63.2	0	0	113.2	E106 E107 K108 K114	E106-M110 WeakPolarHBondContact O-CB 3.11Å; E106-M110 WeakPolarHBondContact O-CG 3.35Å; E106-M110 PolarHBondContact O-N 2.73Å; E107-M110 PolarHBondContact O-N 3.06Å; K108-M110 VanDerWaalsContact C-N 3.32Å; K108-M110 PolarHBondContact O-N 3.16Å; M110-K114 WeakPolarHBondContact O-CB 3.29Å; M110-K114 PolarHBondContact O-N 3.28Å
111	V	64	Low	65.3	Low	50 Å²	50	89.3 Å²	89.3	30%	0.303	44%	0.439	S	S	.	.	H	α-helix	trans	-67.5	-38.1	176.6	170.3	0	0	0	0	111.2	E107 K108 K115	E107-V111 WeakPolarHBondContact O-CG2 3.26Å; E107-V111 PolarHBondContact O-N 2.91Å; K108-V111 PolarHBondContact O-N 2.83Å; K108-V111 VanDerWaalsContact O-N 3.12Å; V111-K115 HydrophobicContact CG1-CD 4.3Å; V111-K115 WeakPolarHBondContact O-CB 3.2Å; V111-K115 WeakPolarHBondContact O-CG 3.24Å; V111-K115 PolarHBondContact O-N 3.04Å
112	E	69.3	Low	65.4	Low	125 Å²	125	89.3 Å²	89.3	58%	0.584	44%	0.441	S	S	*	.	H	α-helix	trans	-68.3	-49.5	177.3	-73.2	166	173.5	0	0	111.6	K108 T109 K114 K115 A116	K108-E112 WeakPolarHBondContact O-CB 3.46Å; K108-E112 WeakPolarHBondContact O-CG 3.2Å; K108-E112 PolarHBondContact O-N 3.08Å; T109-E112 PolarHBondContact O-N 3.02Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 PolarHBondContact O-N 3.43Å; E112-K115 PolarHBondContact O-N 2.85Å; E112-K115 VanDerWaalsContact O-N 3.15Å; E112-A116 WeakPolarHBondContact O-CB 2.82Å; E112-A116 PolarHBondContact O-N 2.79Å
113	A	63.9	Low	65	Low	60 Å²	60	88 Å²	88	50%	0.496	44%	0.442	S	S	.	.	H	α-helix	trans	-58.7	-41.2	175.3	0	0	0	0	0	112.3	T109 A116 E117	T109-A113 VanDerWaalsContact O-CB 3.29Å; T109-A113 WeakPolarHBondContact O-CB 3.47Å; T109-A113 PolarHBondContact O-N 3.35Å; A113-A116 PolarHBondContact O-N 2.76Å; A113-E117 PolarHBondContact O-N 3.43Å
114	K	69.9	Low	64.5	Low	44 Å²	44	89.4 Å²	89.4	19%	0.191	45%	0.454	C	S	.	.	H	α-helix	trans	-62.7	-41	175.8	-173.3	-173.5	-172	-172.8	0	112.5	M110 E112 L118 E365 K366 L368 V370	M110-K114 WeakPolarHBondContact O-CB 3.29Å; M110-K114 PolarHBondContact O-N 3.28Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 PolarHBondContact O-N 3.43Å; K114-L118 PolarHBondContact O-N 2.76Å; K114-E365 WeakPolarHBondContact CE-O 3.37Å; K114-E365 PolarHBondContact NZ-O 2.85Å; K114-K366 PolarHBondContact NZ-O 2.69Å; K114-L368 WeakPolarHBondContact CE-O 3.3Å; K114-L368 PolarHBondContact NZ-O 3.1Å; K114-V370 HydrophobicContact CG-CG2 3.76Å
115	K	68.2	Low	63.5	Low	92 Å²	92	87.9 Å²	87.9	40%	0.4	45%	0.445	S	S	.	.	H	α-helix	trans	-71.6	-32.9	175.2	-75.7	179.9	176.5	-175.9	0	112.2	V111 E112 R119	V111-K115 HydrophobicContact CG1-CD 4.3Å; V111-K115 WeakPolarHBondContact O-CB 3.2Å; V111-K115 WeakPolarHBondContact O-CG 3.24Å; V111-K115 PolarHBondContact O-N 3.04Å; E112-K115 PolarHBondContact O-N 2.85Å; E112-K115 VanDerWaalsContact O-N 3.15Å; K115-R119 WeakPolarHBondContact O-CG 3.5Å; K115-R119 PolarHBondContact O-N 3.41Å
116	A	67.1	Low	62.2	Low	57 Å²	57	86.5 Å²	86.5	47%	0.471	44%	0.441	S	S	.	.	H	α-helix	trans	-66.3	-48.1	174.5	0	0	0	0	0	111.8	E112 A113 L118 R119 R120	E112-A116 WeakPolarHBondContact O-CB 2.82Å; E112-A116 PolarHBondContact O-N 2.79Å; A113-A116 PolarHBondContact O-N 2.76Å; A116-L118 PolarHBondContact O-N 2.99Å; A116-R119 PolarHBondContact O-N 3.06Å; A116-R120 WeakPolarHBondContact O-CB 3.41Å; A116-R120 PolarHBondContact O-N 3.17Å
117	E	63.2	Low	60.7	Low	65 Å²	65	91.4 Å²	91.4	30%	0.304	46%	0.461	S	S	.	.	H	α-helix	trans	-66.4	-38	179.7	-177.8	65.6	175.1	0	0	112.3	A113 R119 R120 I121	A113-E117 PolarHBondContact O-N 3.43Å; E117-R119 PolarHBondContact O-N 3.17Å; E117-R120 PolarHBondContact O-N 3.29Å; E117-I121 HydrophobicContact CG-CD1 3.91Å; E117-I121 WeakPolarHBondContact O-CG1 3.45Å; E117-I121 PolarHBondContact O-N 2.7Å
118	L	67	Low	59.1	Low	8 Å²	8	90.2 Å²	90.2	4%	0.042	46%	0.464	C	S	.	.	H	α-helix	trans	-58.2	-47.9	171.4	-84.3	160.6	0	0	0	111.6	K114 A116 R120 I121 E122 V370 L373 I374	K114-L118 PolarHBondContact O-N 2.76Å; A116-L118 PolarHBondContact O-N 2.99Å; L118-R120 PolarHBondContact O-N 2.74Å; L118-I121 PolarHBondContact O-N 3.16Å; L118-E122 WeakPolarHBondContact O-CG 3.22Å; L118-E122 PolarHBondContact O-N 2.82Å; L118-V370 HydrophobicContact CD2-CG1 4.29Å; L118-V370 HydrophobicContact CG-CG1 4.29Å; L118-L373 HydrophobicContact CD1-CD1 3.91Å; L118-L373 HydrophobicContact CD2-CB 4.34Å; L118-I374 HydrophobicContact CD2-CG1 4.2Å
119	R	66.6	Low	57.2	Low	187 Å²	187	89.5 Å²	89.5	71%	0.706	48%	0.481	S	S	*	.	H	α-helix	trans	-62.1	-39.5	175.1	-73.8	171.9	174.3	178.8	-2.9	112.4	K115 A116 E117 E122 A123	K115-R119 WeakPolarHBondContact O-CG 3.5Å; K115-R119 PolarHBondContact O-N 3.41Å; A116-R119 PolarHBondContact O-N 3.06Å; E117-R119 PolarHBondContact O-N 3.17Å; R119-E122 PolarHBondContact O-N 3.36Å; R119-A123 VanDerWaalsContact O-CB 3.27Å; R119-A123 WeakPolarHBondContact O-CB 3.23Å; R119-A123 PolarHBondContact O-N 3.14Å
120	R	65.1	Low	55.8	Low	128 Å²	128	94.9 Å²	94.9	48%	0.483	50%	0.498	S	S	.	.	H	α-helix	trans	-62.1	-43.7	177.7	-168.5	-178.5	-173.6	-148.5	-3.7	111.4	A116 E117 L118 A124 D1963	A116-R120 WeakPolarHBondContact O-CB 3.41Å; A116-R120 PolarHBondContact O-N 3.17Å; E117-R120 PolarHBondContact O-N 3.29Å; L118-R120 PolarHBondContact O-N 2.74Å; R120-A124 WeakPolarHBondContact O-CB 3.23Å; R120-A124 PolarHBondContact O-N 2.8Å; R120-D1963 IonicContact CZ-OD1 3.89Å; R120-D1963 IonicContact CZ-OD2 2.96Å; R120-D1963 IonicContact NH1-OD1 3.19Å; R120-D1963 IonicContact NH2-OD1 3.85Å; R120-D1963 PolarHBondContact NH2-OD1 2.69Å; R120-D1963 IonicContact NH2-OD2 2.92Å; R120-D1963 PolarHBondContact NH2-OD2 3.12Å
121	I	62.2	Low	54.5	Low	52 Å²	52	96.2 Å²	96.2	27%	0.267	50%	0.503	S	S	.	.	H	α-helix	trans	-70.3	-35	179.3	-68.2	170.2	0	0	0	111.7	E117 L118 K125 V370 I374	E117-I121 HydrophobicContact CG-CD1 3.91Å; E117-I121 WeakPolarHBondContact O-CG1 3.45Å; E117-I121 PolarHBondContact O-N 2.7Å; L118-I121 PolarHBondContact O-N 3.16Å; I121-K125 PolarHBondContact O-N 3.36Å; I121-V370 HydrophobicContact CD1-CG1 4.39Å; I121-I374 HydrophobicContact CD1-CD1 3.64Å; I121-I374 HydrophobicContact CG2-CD1 4.08Å
122	E	59.8	Low	53.4	Low	50 Å²	50	98.1 Å²	98.1	23%	0.234	51%	0.511	C	S	.	.	H	α-helix	trans	-72.8	-43.7	175.4	-70.2	179.9	137.2	0	0	111.8	L118 R119 A124 K125 E126 R377	L118-E122 WeakPolarHBondContact O-CG 3.22Å; L118-E122 PolarHBondContact O-N 2.82Å; R119-E122 PolarHBondContact O-N 3.36Å; E122-A124 PolarHBondContact O-N 2.88Å; E122-K125 WeakPolarHBondContact O-CB 3.4Å; E122-K125 PolarHBondContact O-N 3.11Å; E122-E126 PolarHBondContact O-N 2.81Å; E122-E126 VanDerWaalsContact O-N 3.14Å; E122-R377 IonicContact OE1-CZ 2.69Å; E122-R377 IonicContact OE1-NH1 2.67Å; E122-R377 PolarHBondContact OE1-NH1 3.45Å; E122-R377 IonicContact OE2-NH1 2.66Å; E122-R377 PolarHBondContact OE2-NH1 2.91Å
123	A	57.8	Low	52.6	Low	59 Å²	59	96.1 Å²	96.1	49%	0.488	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-21.7	173.6	0	0	0	0	0	113.7	R119	R119-A123 VanDerWaalsContact O-CB 3.27Å; R119-A123 WeakPolarHBondContact O-CB 3.23Å; R119-A123 PolarHBondContact O-N 3.14Å
124	A	53	Low	51.4	Low	82 Å²	82	99.3 Å²	99.3	68%	0.678	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-17.4	171.5	0	0	0	0	0	113.7	R120 E122	R120-A124 WeakPolarHBondContact O-CB 3.23Å; R120-A124 PolarHBondContact O-N 2.8Å; E122-A124 PolarHBondContact O-N 2.88Å
125	K	46.7	Very low	50.3	Low	106 Å²	106	101.4 Å²	101.4	46%	0.461	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-38.8	174.2	-81.3	-179.5	161.7	-170.2	0	113	I121 E122 K127 E381	I121-K125 PolarHBondContact O-N 3.36Å; E122-K125 WeakPolarHBondContact O-CB 3.4Å; E122-K125 PolarHBondContact O-N 3.11Å; K125-K127 VanDerWaalsContact C-N 3.33Å; K125-K127 PolarHBondContact O-N 3.12Å; K125-E381 IonicContact NZ-OE1 2.97Å; K125-E381 IonicContact NZ-OE2 2.69Å; K125-E381 PolarHBondContact NZ-OE2 3.4Å
126	E	39.7	Very low	49.4	Very low	119 Å²	119	99.9 Å²	99.9	56%	0.556	52%	0.522	S	S	*	.			trans	-92.7	40.7	-167.3	-62.5	-171.3	171.4	0	0	114	E122 P128 R348	E122-E126 PolarHBondContact O-N 2.81Å; E122-E126 VanDerWaalsContact O-N 3.14Å; E126-P128 VanDerWaalsContact C-CD 3.43Å; E126-P128 WeakPolarHBondContact O-CD 3.4Å; E126-R348 IonicContact OE1-CZ 3.87Å; E126-R348 IonicContact OE1-NH2 2.7Å; E126-R348 PolarHBondContact OE1-NH2 3.1Å
127	K	32.7	Very low	48.6	Very low	175 Å²	175	101.1 Å²	101.1	76%	0.761	52%	0.516	S	S	*	.			trans	-110.5	79.5	174.4	-73.4	-170	178.9	-175.6	0	113.4	K125	K125-K127 VanDerWaalsContact C-N 3.33Å; K125-K127 PolarHBondContact O-N 3.12Å
128	P	29.4	Very low	47.9	Very low	104 Å²	104	101.6 Å²	101.6	68%	0.675	52%	0.519	S	S	*	.			trans	-67.9	155.4	149.2	33.7	-32.4	0	0	0	109.4	E126	E126-P128 VanDerWaalsContact C-CD 3.43Å; E126-P128 WeakPolarHBondContact O-CD 3.4Å
129	A	30.2	Very low	47	Very low	108 Å²	108	104.2 Å²	104.2	89%	0.893	54%	0.536	S	S	*	.			trans	-64.3	137.3	-179.5	0	0	0	0	0	112
130	K	35.3	Very low	46.2	Very low	190 Å²	190	97.4 Å²	97.4	83%	0.826	52%	0.519	S	S	*	.			trans	-133.2	153.6	171.5	-87	-170.3	169.7	-175	0	110.2
131	Q	33.1	Very low	45.7	Very low	159 Å²	159	94 Å²	94	74%	0.743	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-72	143	-169.8	-63.6	139.7	-57.9	0	0	112.7
132	D	41.6	Very low	45.6	Very low	90 Å²	90	93.9 Å²	93.9	48%	0.481	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-76.6	138.7	175.9	-58.3	-63	0	0	0	112.4	E136 R2010	D132-E136 HydrophobicContact CB-CB 4.34Å; D132-R2010 IonicContact OD1-CZ 3.35Å; D132-R2010 IonicContact OD1-NH2 3.1Å; D132-R2010 PolarHBondContact OD1-NH2 3.3Å
133	T	52	Low	45.6	Very low	84 Å²	84	93.4 Å²	93.4	52%	0.515	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-80.8	161	-172.4	-35.4	0	0	0	0	113	V135 E136 K137	T133-V135 VanDerWaalsContact C-N 3.27Å; T133-V135 PolarHBondContact O-N 3.3Å; T133-E136 VanDerWaalsContact CB-OE2 3.32Å; T133-E136 WeakPolarHBondContact CB-OE2 3.35Å; T133-E136 PolarHBondContact N-OE2 2.81Å; T133-E136 WeakPolarHBondContact O-CA 3.43Å; T133-E136 WeakPolarHBondContact O-CB 3.28Å; T133-E136 PolarHBondContact O-N 2.66Å; T133-E136 PolarHBondContact OG1-OE2 3.47Å; T133-K137 PolarHBondContact O-N 2.83Å
134	F	39.3	Very low	45.8	Very low	126 Å²	126	95 Å²	95	55%	0.553	51%	0.505	S	S	*	.	H	α-helix	trans	-52.5	-42.5	173.4	176.8	-97.7	0	0	0	113	E136 K137 M138	F134-E136 VanDerWaalsContact C-N 3.35Å; F134-E136 PolarHBondContact O-N 2.74Å; F134-K137 PolarHBondContact O-N 2.89Å; F134-M138 PolarHBondContact O-N 2.84Å
135	V	47.3	Very low	46.3	Very low	88 Å²	88	91.7 Å²	91.7	53%	0.533	48%	0.476	S	S	.	.	H	α-helix	trans	-62.3	-41.8	175.7	-178.1	0	0	0	0	111.1	T133 K137 M138 T139	T133-V135 VanDerWaalsContact C-N 3.27Å; T133-V135 PolarHBondContact O-N 3.3Å; V135-K137 VanDerWaalsContact C-N 3.34Å; V135-K137 PolarHBondContact O-N 3.37Å; V135-M138 PolarHBondContact O-N 2.89Å; V135-T139 VanDerWaalsContact O-CB 3.28Å; V135-T139 WeakPolarHBondContact O-CB 3.3Å; V135-T139 PolarHBondContact O-N 2.88Å; V135-T139 PolarHBondContact O-OG1 3.3Å; V135-T139 VanDerWaalsContact O-OG1 3.12Å
136	E	49.3	Very low	47.3	Very low	61 Å²	61	88.2 Å²	88.2	29%	0.285	46%	0.462	S	S	.	.	H	α-helix	trans	-65.6	-36.1	176.6	-67.5	172.2	110.5	0	0	111.7	D132 T133 F134 A140 R2010	D132-E136 HydrophobicContact CB-CB 4.34Å; T133-E136 VanDerWaalsContact CB-OE2 3.32Å; T133-E136 WeakPolarHBondContact CB-OE2 3.35Å; T133-E136 PolarHBondContact N-OE2 2.81Å; T133-E136 WeakPolarHBondContact O-CA 3.43Å; T133-E136 WeakPolarHBondContact O-CB 3.28Å; T133-E136 PolarHBondContact O-N 2.66Å; T133-E136 PolarHBondContact OG1-OE2 3.47Å; F134-E136 VanDerWaalsContact C-N 3.35Å; F134-E136 PolarHBondContact O-N 2.74Å; E136-A140 WeakPolarHBondContact O-CB 3.3Å; E136-A140 PolarHBondContact O-N 3.49Å; E136-R2010 IonicContact OE1-CZ 2.68Å; E136-R2010 IonicContact OE1-NE 2.81Å; E136-R2010 PolarHBondContact OE1-NE 3.45Å; E136-R2010 VanDerWaalsContact OE1-NE 3.16Å; E136-R2010 IonicContact OE1-NH2 3.22Å; E136-R2010 PolarHBondContact OE1-NH2 2.92Å
137	K	49.9	Very low	48.8	Very low	83 Å²	83	84.2 Å²	84.2	36%	0.361	44%	0.444	S	S	.	.	H	α-helix	trans	-68	-40.9	172.7	-68.7	-174.6	-179.2	179.7	0	112.6	T133 F134 V135 A140 Q141 I443	T133-K137 PolarHBondContact O-N 2.83Å; F134-K137 PolarHBondContact O-N 2.89Å; V135-K137 VanDerWaalsContact C-N 3.34Å; V135-K137 PolarHBondContact O-N 3.37Å; K137-A140 PolarHBondContact O-N 2.93Å; K137-Q141 PolarHBondContact O-N 3.23Å; K137-I443 HydrophobicContact CD-CD1 4.16Å; K137-I443 VanDerWaalsContact NZ-CD1 3.34Å
138	M	47.3	Very low	50.7	Low	75 Å²	75	76.6 Å²	76.6	37%	0.369	41%	0.412	S	S	.	.	H	α-helix	trans	-66.7	-45	175.3	-171.8	-178.7	72.9	0	0	111.5	F3 F134 V135 A140 Q141 V142	F3-M138 HydrophobicContact CE1-SD 4.36Å; F134-M138 PolarHBondContact O-N 2.84Å; V135-M138 PolarHBondContact O-N 2.89Å; M138-A140 VanDerWaalsContact C-N 3.33Å; M138-A140 PolarHBondContact O-N 2.7Å; M138-Q141 PolarHBondContact O-N 2.91Å; M138-Q141 VanDerWaalsContact O-N 3.15Å; M138-V142 PolarHBondContact O-N 3.2Å
139	T	48.1	Very low	53.1	Low	62 Å²	62	72.9 Å²	72.9	38%	0.38	39%	0.386	S	S	.	.	H	α-helix	trans	-61	-41.4	173.6	-68.6	0	0	0	0	111	V135 Q141 V142 I143	V135-T139 VanDerWaalsContact O-CB 3.28Å; V135-T139 WeakPolarHBondContact O-CB 3.3Å; V135-T139 PolarHBondContact O-N 2.88Å; V135-T139 PolarHBondContact O-OG1 3.3Å; V135-T139 VanDerWaalsContact O-OG1 3.12Å; T139-Q141 VanDerWaalsContact C-N 3.35Å; T139-Q141 PolarHBondContact O-N 2.84Å; T139-V142 PolarHBondContact O-N 3.08Å; T139-I143 HydrophobicContact CG2-CD1 3.56Å; T139-I143 HydrophobicContact CG2-CG1 4.47Å; T139-I143 WeakPolarHBondContact O-CB 3.26Å; T139-I143 WeakPolarHBondContact O-CD1 3.49Å; T139-I143 WeakPolarHBondContact O-CG1 3.44Å; T139-I143 PolarHBondContact O-N 3.45Å
140	A	51	Low	55.5	Low	44 Å²	44	68 Å²	68	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-38.6	172.8	0	0	0	0	0	112.5	E136 K137 M138 I143 K144	E136-A140 WeakPolarHBondContact O-CB 3.3Å; E136-A140 PolarHBondContact O-N 3.49Å; K137-A140 PolarHBondContact O-N 2.93Å; M138-A140 VanDerWaalsContact C-N 3.33Å; M138-A140 PolarHBondContact O-N 2.7Å; A140-I143 PolarHBondContact O-N 2.73Å; A140-K144 WeakPolarHBondContact O-CG 3.19Å; A140-K144 PolarHBondContact O-N 3.31Å
141	Q	54.5	Low	57.9	Low	56 Å²	56	63.3 Å²	63.3	26%	0.262	32%	0.322	S	S	.	.	H	α-helix	trans	-67.3	-41.7	176.4	-167.5	66.6	11.2	0	0	112	K137 M138 T139 I143 K144 N145	K137-Q141 PolarHBondContact O-N 3.23Å; M138-Q141 PolarHBondContact O-N 2.91Å; M138-Q141 VanDerWaalsContact O-N 3.15Å; T139-Q141 VanDerWaalsContact C-N 3.35Å; T139-Q141 PolarHBondContact O-N 2.84Å; Q141-I143 VanDerWaalsContact C-N 3.33Å; Q141-I143 PolarHBondContact O-N 3.35Å; Q141-K144 PolarHBondContact O-N 3.48Å; Q141-N145 PolarHBondContact O-N 2.85Å
142	V	59	Low	60.4	Low	50 Å²	50	58.8 Å²	58.8	30%	0.303	30%	0.303	S	S	.	.	H	α-helix	trans	-59.1	-44.9	170.6	171.2	0	0	0	0	110.5	L74 V79 M138 T139 K144 N145 L146	L74-V142 HydrophobicContact CD2-CG2 4.31Å; V79-V142 HydrophobicContact CG2-CG1 4.24Å; M138-V142 PolarHBondContact O-N 3.2Å; T139-V142 PolarHBondContact O-N 3.08Å; V142-K144 PolarHBondContact O-N 2.82Å; V142-N145 CarbonylContact O-C 3.6Å; V142-N145 PolarHBondContact O-N 2.89Å; V142-L146 WeakPolarHBondContact O-CA 3.19Å; V142-L146 VanDerWaalsContact O-CB 3.29Å; V142-L146 WeakPolarHBondContact O-CB 3.33Å; V142-L146 PolarHBondContact O-N 3.46Å
143	I	60.1	Low	62.3	Low	40 Å²	40	55.2 Å²	55.2	21%	0.205	28%	0.284	C	S	.	.	H	α-helix	trans	-67.5	-31.1	179.9	-72.4	162.3	0	0	0	113.2	T139 A140 Q141 K200 I2006	T139-I143 HydrophobicContact CG2-CD1 3.56Å; T139-I143 HydrophobicContact CG2-CG1 4.47Å; T139-I143 WeakPolarHBondContact O-CB 3.26Å; T139-I143 WeakPolarHBondContact O-CD1 3.49Å; T139-I143 WeakPolarHBondContact O-CG1 3.44Å; T139-I143 PolarHBondContact O-N 3.45Å; A140-I143 PolarHBondContact O-N 2.73Å; Q141-I143 VanDerWaalsContact C-N 3.33Å; Q141-I143 PolarHBondContact O-N 3.35Å; I143-K200 PolarHBondContact O-NZ 2.94Å; I143-I2006 HydrophobicContact CD1-CG1 4.19Å; I143-I2006 HydrophobicContact CD1-CG2 4.37Å; I143-I2006 HydrophobicContact CG2-CD1 3.48Å; I143-I2006 VanDerWaalsContact CG2-CD1 3.48Å; I143-I2006 HydrophobicContact CG2-CG1 3.82Å
144	K	62.3	Low	63.9	Low	92 Å²	92	53.4 Å²	53.4	40%	0.4	27%	0.269	S	S	.	.	H	α-helix	trans	-60.9	-46.4	170.5	-74	174.1	-163.8	168.7	0	110.9	A140 Q141 V142 T181 K200	A140-K144 WeakPolarHBondContact O-CG 3.19Å; A140-K144 PolarHBondContact O-N 3.31Å; Q141-K144 PolarHBondContact O-N 3.48Å; V142-K144 PolarHBondContact O-N 2.82Å; K144-T181 PolarHBondContact O-OG1 2.81Å; K144-K200 WeakPolarHBondContact O-CE 3.33Å; K144-K200 PolarHBondContact O-NZ 2.93Å; K144-K200 VanDerWaalsContact O-NZ 3.13Å
145	N	62.9	Low	66	Low	14 Å²	14	51 Å²	51	8%	0.075	26%	0.261	C	S	.	.	S	Bend	trans	-100.9	11.7	-173.3	-68.3	1.1	0	0	0	114.3	A78 V79 Q141 V142 Q147	A78-N145 WeakPolarHBondContact CB-O 3.36Å; V79-N145 PolarHBondContact N-O 3.21Å; Q141-N145 PolarHBondContact O-N 2.85Å; V142-N145 CarbonylContact O-C 3.6Å; V142-N145 PolarHBondContact O-N 2.89Å; N145-Q147 PolarHBondContact O-N 3.29Å
146	L	68.3	Low	67.8	Low	32 Å²	32	48.3 Å²	48.3	17%	0.168	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	120.4	175.9	-178.3	67.7	0	0	0	110.1	V79 V142 V148 F2017	V79-L146 HydrophobicContact CB-CD1 4.04Å; V79-L146 HydrophobicContact CG1-CD1 3.76Å; V142-L146 WeakPolarHBondContact O-CA 3.19Å; V142-L146 VanDerWaalsContact O-CB 3.29Å; V142-L146 WeakPolarHBondContact O-CB 3.33Å; V142-L146 PolarHBondContact O-N 3.46Å; L146-V148 HydrophobicContact CD1-CG2 4.38Å; L146-V148 HydrophobicContact CD2-CG2 3.83Å; L146-V148 HydrophobicContact CG-CG2 3.76Å; L146-F2017 HydrophobicContact CD2-CE2 4.32Å; L146-F2017 HydrophobicContact CD2-CZ 4.39Å
147	Q	71.4	Confident	69.4	Low	35 Å²	35	46.5 Å²	46.5	16%	0.164	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133.8	166.8	-62.9	-178.7	0.7	0	0	109	A78 V79 V80 A81 N145 F179 Q180	A78-Q147 HydrophobicContact CB-CG 4.04Å; V79-Q147 PolarHBondContact O-N 3.03Å; V80-Q147 WeakPolarHBondContact CA-O 3.34Å; V80-Q147 HydrophobicContact CG2-CB 4.41Å; A81-Q147 PolarHBondContact N-O 2.58Å; N145-Q147 PolarHBondContact O-N 3.29Å; Q147-F179 WeakPolarHBondContact CA-O 3.3Å; Q147-Q180 HydrophobicContact CG-CG 4.48Å
148	V	72.6	Confident	71.1	Confident	15 Å²	15	44.2 Å²	44.2	9%	0.091	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.9	-179.6	-175.7	0	0	0	0	109.2	A81 L146 I150 C178 F179	A81-V148 HydrophobicContact CB-CG2 4.48Å; A81-V148 WeakPolarHBondContact O-CA 3.2Å; L146-V148 HydrophobicContact CD1-CG2 4.38Å; L146-V148 HydrophobicContact CD2-CG2 3.83Å; L146-V148 HydrophobicContact CG-CG2 3.76Å; V148-I150 HydrophobicContact CG1-CD1 4.35Å; V148-I150 HydrophobicContact CG1-CG1 4.01Å; V148-C178 WeakPolarHBondContact O-CA 3.4Å; V148-F179 HydrophobicContact CB-CB 4.42Å; V148-F179 HydrophobicContact CB-CD2 4.19Å; V148-F179 PolarHBondContact N-O 3.07Å; V148-F179 VanDerWaalsContact N-O 3.14Å; V148-F179 PolarHBondContact O-N 3.28Å
149	I	79.8	Confident	72.6	Confident	27 Å²	27	40.7 Å²	40.7	14%	0.138	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	118.2	178.7	-58.6	174.1	0	0	0	106.6	V80 A81 E82 V83 R151 L177	V80-I149 HydrophobicContact CG1-CD1 4.49Å; A81-I149 PolarHBondContact O-N 3.13Å; E82-I149 CarbonylContact C-O 3.58Å; E82-I149 WeakPolarHBondContact CA-O 3.27Å; V83-I149 PolarHBondContact N-O 2.82Å; I149-R151 HydrophobicContact CG2-CG 4.11Å; I149-L177 CarbonylContact C-O 3.56Å; I149-L177 WeakPolarHBondContact CA-O 3.46Å
150	I	79.5	Confident	74	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.4	174.2	-47.7	-178.4	0	0	0	108.2	V83 V148 I153 E176 L177 L2021	V83-I150 HydrophobicContact CB-CB 4.37Å; V83-I150 HydrophobicContact CB-CG1 4.18Å; V83-I150 HydrophobicContact CB-CG2 4.04Å; V83-I150 HydrophobicContact CG1-CG2 4.17Å; V83-I150 HydrophobicContact CG2-CG1 4.32Å; V83-I150 CarbonylContact O-C 3.4Å; V83-I150 WeakPolarHBondContact O-CA 3.29Å; V148-I150 HydrophobicContact CG1-CD1 4.35Å; V148-I150 HydrophobicContact CG1-CG1 4.01Å; I150-I153 HydrophobicContact CB-CD1 4.32Å; I150-I153 HydrophobicContact CG2-CD1 3.54Å; I150-I153 HydrophobicContact CG2-CG1 3.55Å; I150-E176 CarbonylContact O-C 3.59Å; I150-E176 WeakPolarHBondContact O-CA 3.49Å; I150-L177 HydrophobicContact CB-CB 4.38Å; I150-L177 PolarHBondContact N-O 3.05Å; I150-L177 PolarHBondContact O-N 3.34Å; I150-L2021 HydrophobicContact CD1-CD1 4.4Å; I150-L2021 HydrophobicContact CD1-CD2 4Å
151	R	86	Confident	74.9	Confident	93 Å²	93	45.5 Å²	45.5	35%	0.351	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.5	-176.1	-73.9	172.6	169.4	174.9	-9.2	111.1	E82 V83 Q84 G85 I149 H175 E176	E82-R151 IonicContact OE1-NH1 2.72Å; V83-R151 PolarHBondContact O-N 2.89Å; Q84-R151 CarbonylContact C-O 3.54Å; Q84-R151 WeakPolarHBondContact CA-O 3.44Å; G85-R151 PolarHBondContact N-O 2.86Å; I149-R151 HydrophobicContact CG2-CG 4.11Å; R151-H175 CarbonylContact C-O 3.57Å; R151-H175 VanDerWaalsContact CA-O 3.29Å; R151-H175 WeakPolarHBondContact CA-O 3.23Å; R151-E176 HydrophobicContact CG-CG 4.19Å; R151-E176 IonicContact CZ-OE1 3.36Å; R151-E176 IonicContact NE-OE1 2.8Å; R151-E176 PolarHBondContact NE-OE1 3.41Å; R151-E176 IonicContact NH2-OE1 3.19Å; R151-E176 PolarHBondContact NH2-OE1 3.23Å
152	N	85.6	Confident	75.4	Confident	64 Å²	64	44.1 Å²	44.1	34%	0.342	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.2	68.3	179.6	-59.3	-20.4	0	0	0	112.7	G85 L86 H175	G85-N152 CarbonylContact C-O 3.5Å; G85-N152 WeakPolarHBondContact CA-O 3.49Å; L86-N152 PolarHBondContact N-O 3.13Å; N152-H175 PolarHBondContact N-O 3.19Å
153	I	82	Confident	75.9	Confident	15 Å²	15	42.9 Å²	42.9	8%	0.077	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.4	167.9	-46.3	179.7	0	0	0	108.8	L86 I150 I155 T173 L174	L86-I153 HydrophobicContact CB-CG2 4.49Å; L86-I153 HydrophobicContact CD2-CG2 4.3Å; L86-I153 HydrophobicContact CG-CG2 4.48Å; L86-I153 WeakPolarHBondContact O-CA 3.34Å; I150-I153 HydrophobicContact CB-CD1 4.32Å; I150-I153 HydrophobicContact CG2-CD1 3.54Å; I150-I153 HydrophobicContact CG2-CG1 3.55Å; I153-I155 HydrophobicContact CG2-CG1 4.21Å; I153-T173 WeakPolarHBondContact O-CA 3.35Å; I153-L174 HydrophobicContact CB-CB 4.24Å; I153-L174 HydrophobicContact CD1-CB 4.36Å; I153-L174 HydrophobicContact CD1-CD2 4.03Å; I153-L174 HydrophobicContact CG1-CB 4.46Å; I153-L174 PolarHBondContact N-O 3.27Å; I153-L174 PolarHBondContact O-N 3.06Å
154	H	86.4	Confident	76.3	Confident	46 Å²	46	50.4 Å²	50.4	21%	0.213	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	112.6	170.5	-179.6	-154.1	0	0	0	111	L86 Y87 V88 V172 T173 Y211	L86-H154 PolarHBondContact O-N 3.06Å; Y87-H154 WeakPolarHBondContact CA-O 3.39Å; Y87-H154 HydrophobicContact CD1-CB 3.91Å; Y87-H154 HydrophobicContact CE1-CB 4.33Å; V88-H154 PolarHBondContact N-O 2.94Å; H154-V172 WeakPolarHBondContact CA-O 3.28Å; H154-T173 HydrophobicContact CB-CG2 4.42Å; H154-Y211 AromaticContact NE2-CE1 3.5Å; H154-Y211 AromaticContact NE2-CZ 3.63Å; H154-Y211 PolarHBondContact NE2-OH 2.85Å
155	I	83.2	Confident	76.8	Confident	76 Å²	76	52.7 Å²	52.7	39%	0.39	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.9	175	-55.2	177.5	0	0	0	107.9	V88 I153 G171 V172	V88-I155 HydrophobicContact CB-CG1 4.29Å; V88-I155 HydrophobicContact CB-CG2 4.31Å; V88-I155 HydrophobicContact CG1-CG2 4.37Å; I153-I155 HydrophobicContact CG2-CG1 4.21Å; I155-G171 CarbonylContact O-C 3.6Å; I155-G171 WeakPolarHBondContact O-CA 3.35Å; I155-V172 PolarHBondContact N-O 2.91Å; I155-V172 PolarHBondContact O-N 3.48Å
156	R	85.4	Confident	77.3	Confident	31 Å²	31	57 Å²	57	12%	0.117	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.2	-179.4	179.1	172.8	172.2	99.1	1.7	110.5	V88 L89 A90 E158 A169 Y211	V88-R156 PolarHBondContact O-N 3.3Å; L89-R156 WeakPolarHBondContact CA-O 3.4Å; L89-R156 HydrophobicContact CD1-CB 4.03Å; L89-R156 HydrophobicContact CD1-CG 3.79Å; A90-R156 PolarHBondContact N-O 2.88Å; R156-E158 HydrophobicContact CG-CG 4.16Å; R156-E158 IonicContact CZ-OE1 2.79Å; R156-E158 VanDerWaalsContact CZ-OE1 3.26Å; R156-E158 IonicContact NE-OE1 3.58Å; R156-E158 PolarHBondContact NE-OE1 3.08Å; R156-E158 IonicContact NH2-OE1 2.71Å; R156-E158 PolarHBondContact NH2-OE1 2.86Å; R156-A169 VanDerWaalsContact CZ-CB 3.48Å; R156-Y211 WeakPolarHBondContact CG-OH 3.25Å
157	Y	82.6	Confident	77.8	Confident	22 Å²	22	57.5 Å²	57.5	9%	0.086	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.7	174.6	174.8	-103.2	0	0	0	109.1	V55 A90 P92 D159 F168 A169 L170 F275	V55-Y157 HydrophobicContact CB-CE2 4.24Å; V55-Y157 HydrophobicContact CG1-CD2 4.2Å; V55-Y157 HydrophobicContact CG1-CE2 3.54Å; A90-Y157 HydrophobicContact CB-CD2 4.22Å; A90-Y157 WeakPolarHBondContact O-CA 3.23Å; P92-Y157 HydrophobicContact CG-CE2 4.31Å; P92-Y157 WeakPolarHBondContact CG-OH 3.35Å; Y157-D159 HydrophobicContact CE1-CB 3.94Å; Y157-F168 HydrophobicContact CD1-CE2 4.41Å; Y157-F168 HydrophobicContact CE1-CE2 4.38Å; Y157-F168 HydrophobicContact CE1-CZ 4.43Å; Y157-A169 WeakPolarHBondContact O-CA 3.41Å; Y157-L170 HydrophobicContact CD1-CB 4.36Å; Y157-L170 PolarHBondContact N-O 2.96Å; Y157-L170 PolarHBondContact O-N 3.01Å; Y157-F275 AromaticContact CE1-CE2 3.71Å; Y157-F275 HydrophobicContact CE1-CE2 3.71Å; Y157-F275 HydrophobicContact CE1-CZ 4.3Å
158	E	85.1	Confident	78.2	Confident	36 Å²	36	56.4 Å²	56.4	17%	0.168	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.7	-179	-64.7	-172.1	145.2	0	0	111	K58 L89 A90 V91 P92 R156	K58-E158 IonicContact NZ-OE2 2.64Å; K58-E158 PolarHBondContact NZ-OE2 3.1Å; L89-E158 HydrophobicContact CD1-CG 3.83Å; A90-E158 PolarHBondContact O-N 3.48Å; V91-E158 HydrophobicContact CG1-CB 4.33Å; P92-E158 WeakPolarHBondContact CD-O 3.44Å; R156-E158 HydrophobicContact CG-CG 4.16Å; R156-E158 IonicContact CZ-OE1 2.79Å; R156-E158 VanDerWaalsContact CZ-OE1 3.26Å; R156-E158 IonicContact NE-OE1 3.58Å; R156-E158 PolarHBondContact NE-OE1 3.08Å; R156-E158 IonicContact NH2-OE1 2.71Å; R156-E158 PolarHBondContact NH2-OE1 2.86Å
159	D	78.7	Confident	78.8	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.7	179.8	-160.3	-30.9	0	0	0	111	P92 Y157 F161 S162 P167 F168	P92-D159 HydrophobicContact CG-CB 4.18Å; Y157-D159 HydrophobicContact CE1-CB 3.94Å; D159-F161 PolarHBondContact OD1-N 3.13Å; D159-S162 VanDerWaalsContact CG-OG 3.3Å; D159-S162 PolarHBondContact OD1-N 3.22Å; D159-S162 PolarHBondContact OD1-OG 3.28Å; D159-S162 WeakPolarHBondContact OD2-CB 3.44Å; D159-S162 PolarHBondContact OD2-OG 2.85Å; D159-P167 VanDerWaalsContact O-CA 3.29Å; D159-P167 WeakPolarHBondContact O-CA 3.35Å; D159-P167 WeakPolarHBondContact O-CB 3.42Å; D159-F168 HydrophobicContact CB-CD1 4.14Å; D159-F168 HydrophobicContact CB-CE1 3.62Å; D159-F168 HydrophobicContact CB-CE2 4.07Å; D159-F168 HydrophobicContact CB-CZ 3.56Å; D159-F168 PolarHBondContact N-O 2.9Å; D159-F168 PolarHBondContact O-N 2.89Å
160	Q	77.4	Confident	78.9	Confident	121 Å²	121	56.2 Å²	56.2	57%	0.565	26%	0.26	S	S	*	.	S	Bend	trans	-124.9	10.5	177.3	-58.8	-178.1	-9.7	0	0	111.6	P167	Q160-P167 HydrophobicContact CG-CB 4.1Å
161	F	69.3	Low	78.7	Confident	85 Å²	85	56.1 Å²	56.1	37%	0.373	26%	0.26	S	S	.	.	S	Bend	trans	-122.3	-34.3	-168	-57.1	-75	0	0	0	112.5	P92 A94 D159 F282	P92-F161 HydrophobicContact CB-CD2 4.04Å; P92-F161 HydrophobicContact CG-CD2 3.88Å; A94-F161 HydrophobicContact CB-CB 4.49Å; A94-F161 HydrophobicContact CB-CG 4.46Å; D159-F161 PolarHBondContact OD1-N 3.13Å; F161-F282 HydrophobicContact CB-CZ 4.24Å
162	S	66.7	Low	78.4	Confident	27 Å²	27	53.9 Å²	53.9	19%	0.189	26%	0.257	C	S	.	.	S	Bend	trans	-69.3	-45.5	178.6	-63.5	0	0	0	0	112.6	D159 A278	D159-S162 VanDerWaalsContact CG-OG 3.3Å; D159-S162 PolarHBondContact OD1-N 3.22Å; D159-S162 PolarHBondContact OD1-OG 3.28Å; D159-S162 WeakPolarHBondContact OD2-CB 3.44Å; D159-S162 PolarHBondContact OD2-OG 2.85Å; S162-A278 VanDerWaalsContact CB-CB 3.43Å; S162-A278 WeakPolarHBondContact OG-CB 3.49Å
163	N	68.6	Low	78.2	Confident	25 Å²	25	52.8 Å²	52.8	13%	0.134	25%	0.252	C	S	.	.			trans	-129	124.3	166	-173.9	-31	0	0	0	108.3	D165 R166 E274	N163-D165 PolarHBondContact OD1-N 3.29Å; N163-R166 CarbonylContact O-C 3.49Å; N163-R166 PolarHBondContact OD1-N 2.94Å; N163-E274 PolarHBondContact ND2-OE2 2.94Å
164	R	69.4	Low	78.1	Confident	197 Å²	197	52.5 Å²	52.5	74%	0.743	25%	0.251	S	S	*	.	S	Bend	trans	-82.5	-29.6	-177.3	-67.4	-175.1	179.6	-171.5	0.3	113.4
165	D	71.3	Confident	78	Confident	140 Å²	140	54.9 Å²	54.9	75%	0.749	26%	0.262	S	S	*	.	S	Bend	trans	-88.4	-17.7	-177	-50.5	-39.4	0	0	0	110.9	N163	N163-D165 PolarHBondContact OD1-N 3.29Å
166	R	73.7	Confident	77.8	Confident	105 Å²	105	52 Å²	52	40%	0.396	25%	0.246	S	C	.	.	S	Bend	trans	-137.2	70	176.1	-59.3	-176	-177.4	-156.2	-1.3	111.8	N163 F214 N215 F267	N163-R166 CarbonylContact O-C 3.49Å; N163-R166 PolarHBondContact OD1-N 2.94Å; R166-F214 HydrophobicContact CB-CD1 4.36Å; R166-N215 WeakPolarHBondContact CA-OD1 3.22Å; R166-F267 VanDerWaalsContact NH1-CE1 3.3Å
167	P	78.6	Confident	77.3	Confident	43 Å²	43	50.5 Å²	50.5	28%	0.279	24%	0.241	S	C	.	.			trans	-54.1	141.7	166	25.5	-36.2	0	0	0	110.7	D159 Q160 N215	D159-P167 VanDerWaalsContact O-CA 3.29Å; D159-P167 WeakPolarHBondContact O-CA 3.35Å; D159-P167 WeakPolarHBondContact O-CB 3.42Å; Q160-P167 HydrophobicContact CG-CB 4.1Å; P167-N215 VanDerWaalsContact CD-OD1 3.28Å; P167-N215 WeakPolarHBondContact CD-OD1 3.17Å; P167-N215 PolarHBondContact O-N 3.47Å; P167-N215 PolarHBondContact O-OD1 3.3Å
168	F	81.2	Confident	76.9	Confident	12 Å²	12	50.1 Å²	50.1	5%	0.053	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	159.2	-175.4	70.6	-92.1	0	0	0	112.4	Y157 D159 L170 W212 N213 F214 F275	Y157-F168 HydrophobicContact CD1-CE2 4.41Å; Y157-F168 HydrophobicContact CE1-CE2 4.38Å; Y157-F168 HydrophobicContact CE1-CZ 4.43Å; D159-F168 HydrophobicContact CB-CD1 4.14Å; D159-F168 HydrophobicContact CB-CE1 3.62Å; D159-F168 HydrophobicContact CB-CE2 4.07Å; D159-F168 HydrophobicContact CB-CZ 3.56Å; D159-F168 PolarHBondContact N-O 2.9Å; D159-F168 PolarHBondContact O-N 2.89Å; F168-L170 HydrophobicContact CE2-CB 4.46Å; F168-W212 AromaticContact CD2-CE2 3.7Å; F168-W212 AromaticContact CD2-CZ2 3.83Å; F168-W212 HydrophobicContact CD2-CZ2 3.83Å; F168-W212 AromaticContact CD2-NE1 3.54Å; F168-W212 HydrophobicContact CE1-CZ2 4.46Å; F168-W212 AromaticContact CE2-CE2 3.87Å; F168-W212 HydrophobicContact CE2-CH2 4.14Å; F168-W212 AromaticContact CE2-CZ2 3.52Å; F168-W212 HydrophobicContact CE2-CZ2 3.52Å; F168-W212 HydrophobicContact CG-CZ2 4.44Å; F168-W212 AromaticContact CG-NE1 3.77Å; F168-W212 HydrophobicContact CZ-CH2 4.5Å; F168-W212 AromaticContact CZ-CZ2 3.88Å; F168-W212 HydrophobicContact CZ-CZ2 3.88Å; F168-N213 CarbonylContact C-O 3.56Å; F168-N213 VanDerWaalsContact CA-O 3.3Å; F168-N213 WeakPolarHBondContact CA-O 3.26Å; F168-N213 WeakPolarHBondContact CB-O 3.44Å; F168-F214 HydrophobicContact CB-CD1 3.83Å; F168-F214 HydrophobicContact CB-CE1 4.11Å; F168-F275 HydrophobicContact CE2-CD2 4.48Å; F168-F275 HydrophobicContact CZ-CB 4.1Å; F168-F275 AromaticContact CZ-CD2 3.66Å; F168-F275 HydrophobicContact CZ-CD2 3.66Å; F168-F275 HydrophobicContact CZ-CE2 4.38Å; F168-F275 HydrophobicContact CZ-CG 4.11Å
169	A	83.7	Confident	76.3	Confident	3 Å²	3	49.2 Å²	49.2	3%	0.025	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111.9	173.6	0	0	0	0	0	110.1	R156 Y157 Y211 N213	R156-A169 VanDerWaalsContact CZ-CB 3.48Å; Y157-A169 WeakPolarHBondContact O-CA 3.41Å; A169-Y211 WeakPolarHBondContact O-CE2 3.29Å; A169-N213 PolarHBondContact N-O 2.82Å; A169-N213 PolarHBondContact O-N 2.86Å
170	L	82.1	Confident	76.1	Confident	35 Å²	35	51.4 Å²	51.4	18%	0.183	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	148.2	166.4	168.9	64.4	0	0	0	108.3	Y157 F168 V210 W212	Y157-L170 HydrophobicContact CD1-CB 4.36Å; Y157-L170 PolarHBondContact N-O 2.96Å; Y157-L170 PolarHBondContact O-N 3.01Å; F168-L170 HydrophobicContact CE2-CB 4.46Å; L170-V210 HydrophobicContact CD1-CG1 4Å; L170-W212 HydrophobicContact CD1-CE3 3.83Å; L170-W212 HydrophobicContact CD1-CZ3 4.3Å; L170-W212 HydrophobicContact CD2-CZ3 4.41Å
171	G	75.6	Confident	75.9	Confident	2 Å²	2	45.9 Å²	45.9	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	163	163.7	0	0	0	0	0	115.4	I155 V210 Y211	I155-G171 CarbonylContact O-C 3.6Å; I155-G171 WeakPolarHBondContact O-CA 3.35Å; G171-V210 WeakPolarHBondContact O-CA 3.29Å; G171-V210 WeakPolarHBondContact O-CG1 3.23Å; G171-Y211 VanDerWaalsContact CA-CZ 3.44Å; G171-Y211 PolarHBondContact N-O 3.1Å; G171-Y211 PolarHBondContact O-N 2.84Å
172	V	79.6	Confident	76.2	Confident	46 Å²	46	42 Å²	42	28%	0.279	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.7	-176.4	-176.6	0	0	0	0	108.1	H154 I155 F208 V210	H154-V172 WeakPolarHBondContact CA-O 3.28Å; I155-V172 PolarHBondContact N-O 2.91Å; I155-V172 PolarHBondContact O-N 3.48Å; V172-F208 HydrophobicContact CG1-CD2 4.46Å; V172-F208 HydrophobicContact CG1-CE2 3.44Å; V172-F208 VanDerWaalsContact CG1-CE2 3.44Å; V172-F208 HydrophobicContact CG1-CZ 3.87Å; V172-V210 HydrophobicContact CG1-CG2 4.47Å; V172-V210 HydrophobicContact CG2-CG2 4.28Å
173	T	82	Confident	76.7	Confident	40 Å²	40	42.7 Å²	42.7	25%	0.245	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.1	178.8	50	0	0	0	0	111	I153 H154 A209 Y211	I153-T173 WeakPolarHBondContact O-CA 3.35Å; H154-T173 HydrophobicContact CB-CG2 4.42Å; T173-A209 PolarHBondContact N-O 2.86Å; T173-A209 PolarHBondContact O-N 2.94Å; T173-A209 WeakPolarHBondContact OG1-CB 3.48Å; T173-Y211 HydrophobicContact CG2-CE1 4.35Å
174	L	79.5	Confident	77.1	Confident	10 Å²	10	46.2 Å²	46.2	5%	0.052	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	119.3	174	-177.6	60.5	0	0	0	109.3	I153 L177 M205 K206 F208	I153-L174 HydrophobicContact CB-CB 4.24Å; I153-L174 HydrophobicContact CD1-CB 4.36Å; I153-L174 HydrophobicContact CD1-CD2 4.03Å; I153-L174 HydrophobicContact CG1-CB 4.46Å; I153-L174 PolarHBondContact N-O 3.27Å; I153-L174 PolarHBondContact O-N 3.06Å; L174-L177 HydrophobicContact CD2-CB 3.83Å; L174-L177 HydrophobicContact CD2-CD1 4.42Å; L174-L177 HydrophobicContact CD2-CD2 4.2Å; L174-L177 HydrophobicContact CD2-CG 4.39Å; L174-M205 HydrophobicContact CD1-CE 4.07Å; L174-M205 HydrophobicContact CD1-CG 3.73Å; L174-M205 HydrophobicContact CD2-CE 4.31Å; L174-M205 HydrophobicContact CD2-CG 4.47Å; L174-K206 WeakPolarHBondContact CD1-O 3.41Å; L174-F208 HydrophobicContact CB-CD2 4.35Å; L174-F208 HydrophobicContact CD1-CB 3.81Å; L174-F208 HydrophobicContact CD1-CD2 4.08Å; L174-F208 HydrophobicContact CD1-CG 4.44Å
175	H	84.2	Confident	77.4	Confident	96 Å²	96	41.9 Å²	41.9	44%	0.444	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-47.6	-175.8	173.5	-86.1	0	0	0	111.6	R151 N152 K206	R151-H175 CarbonylContact C-O 3.57Å; R151-H175 VanDerWaalsContact CA-O 3.29Å; R151-H175 WeakPolarHBondContact CA-O 3.23Å; N152-H175 PolarHBondContact N-O 3.19Å; H175-K206 PolarHBondContact N-O 2.69Å
176	E	80.2	Confident	77.4	Confident	14 Å²	14	39.4 Å²	39.4	7%	0.065	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	138.9	-178.9	-172.8	163.3	-132	0	0	110.8	I150 R151 M205 K206	I150-E176 CarbonylContact O-C 3.59Å; I150-E176 WeakPolarHBondContact O-CA 3.49Å; R151-E176 HydrophobicContact CG-CG 4.19Å; R151-E176 IonicContact CZ-OE1 3.36Å; R151-E176 IonicContact NE-OE1 2.8Å; R151-E176 PolarHBondContact NE-OE1 3.41Å; R151-E176 IonicContact NH2-OE1 3.19Å; R151-E176 PolarHBondContact NH2-OE1 3.23Å; E176-M205 CarbonylContact O-C 3.55Å; E176-M205 WeakPolarHBondContact O-CA 3.1Å; E176-K206 HydrophobicContact CB-CB 4.23Å; E176-K206 HydrophobicContact CB-CD 4.32Å; E176-K206 PolarHBondContact O-N 3.14Å; E176-K206 IonicContact OE2-NZ 3.77Å; E176-K206 PolarHBondContact OE2-NZ 3.14Å
177	L	74.4	Confident	77.4	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	118.8	171.5	-177	65.6	0	0	0	108.1	I149 I150 L174 F179 M205 L2025 M2028	I149-L177 CarbonylContact C-O 3.56Å; I149-L177 WeakPolarHBondContact CA-O 3.46Å; I150-L177 HydrophobicContact CB-CB 4.38Å; I150-L177 PolarHBondContact N-O 3.05Å; I150-L177 PolarHBondContact O-N 3.34Å; L174-L177 HydrophobicContact CD2-CB 3.83Å; L174-L177 HydrophobicContact CD2-CD1 4.42Å; L174-L177 HydrophobicContact CD2-CD2 4.2Å; L174-L177 HydrophobicContact CD2-CG 4.39Å; L177-F179 HydrophobicContact CD1-CE1 4.38Å; L177-F179 HydrophobicContact CD1-CE2 4.11Å; L177-F179 HydrophobicContact CD1-CZ 3.72Å; L177-F179 HydrophobicContact CD2-CE2 3.6Å; L177-F179 HydrophobicContact CD2-CZ 3.84Å; L177-F179 HydrophobicContact CG-CD2 4.42Å; L177-F179 HydrophobicContact CG-CE2 3.6Å; L177-F179 HydrophobicContact CG-CZ 3.76Å; L177-M205 HydrophobicContact CD1-CB 3.89Å; L177-M205 HydrophobicContact CD1-CG 3.81Å; L177-M205 HydrophobicContact CD1-SD 4.04Å; L177-L2025 HydrophobicContact CD2-CD2 3.28Å; L177-M2028 HydrophobicContact CD1-CE 4.01Å; L177-M2028 HydrophobicContact CD1-SD 4.17Å; L177-M2028 HydrophobicContact CD2-CE 4.06Å
178	C	73.5	Confident	76.9	Confident	15 Å²	15	42.9 Å²	42.9	10%	0.101	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.2	-174.1	-169.1	0	0	0	0	110.7	V148 Q180 S202	V148-C178 WeakPolarHBondContact O-CA 3.4Å; C178-Q180 PolarHBondContact SG-NE2 3.04Å; C178-Q180 VanDerWaalsContact SG-NE2 3.39Å; C178-S202 VanDerWaalsContact O-CA 3.31Å; C178-S202 WeakPolarHBondContact O-CA 3.43Å; C178-S202 WeakPolarHBondContact O-CB 3.38Å; C178-S202 PolarHBondContact O-OG 3.45Å
179	F	72.9	Confident	76.2	Confident	17 Å²	17	43.9 Å²	43.9	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118	175.4	-63.6	-63.7	0	0	0	109.7	Q147 V148 L177 V2001 F2002	Q147-F179 WeakPolarHBondContact CA-O 3.3Å; V148-F179 HydrophobicContact CB-CB 4.42Å; V148-F179 HydrophobicContact CB-CD2 4.19Å; V148-F179 PolarHBondContact N-O 3.07Å; V148-F179 VanDerWaalsContact N-O 3.14Å; V148-F179 PolarHBondContact O-N 3.28Å; L177-F179 HydrophobicContact CD1-CE1 4.38Å; L177-F179 HydrophobicContact CD1-CE2 4.11Å; L177-F179 HydrophobicContact CD1-CZ 3.72Å; L177-F179 HydrophobicContact CD2-CE2 3.6Å; L177-F179 HydrophobicContact CD2-CZ 3.84Å; L177-F179 HydrophobicContact CG-CD2 4.42Å; L177-F179 HydrophobicContact CG-CE2 3.6Å; L177-F179 HydrophobicContact CG-CZ 3.76Å; F179-V2001 HydrophobicContact CE1-CB 4.39Å; F179-V2001 HydrophobicContact CE2-CB 4.35Å; F179-V2001 HydrophobicContact CE2-CG1 3.68Å; F179-V2001 HydrophobicContact CZ-CB 3.76Å; F179-V2001 HydrophobicContact CZ-CG1 3.53Å; F179-V2001 HydrophobicContact CZ-CG2 4.17Å; F179-F2002 HydrophobicContact CB-CE1 4.22Å; F179-F2002 HydrophobicContact CD1-CD1 4.49Å; F179-F2002 AromaticContact CD1-CE1 3.46Å; F179-F2002 HydrophobicContact CD1-CE1 3.46Å; F179-F2002 VanDerWaalsContact CD1-CE1 3.46Å; F179-F2002 HydrophobicContact CD1-CE2 4.47Å; F179-F2002 AromaticContact CD1-CZ 3.46Å; F179-F2002 HydrophobicContact CD1-CZ 3.46Å; F179-F2002 VanDerWaalsContact CD1-CZ 3.46Å; F179-F2002 HydrophobicContact CE1-CE1 4.07Å; F179-F2002 HydrophobicContact CE1-CE2 4.42Å; F179-F2002 AromaticContact CE1-CZ 3.81Å; F179-F2002 HydrophobicContact CE1-CZ 3.81Å; F179-F2002 HydrophobicContact CG-CE1 4.02Å; F179-F2002 HydrophobicContact CG-CZ 4.43Å
180	Q	74	Confident	75.1	Confident	46 Å²	46	46.9 Å²	46.9	22%	0.215	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.9	-176.4	-67.9	178.5	-7.7	0	0	111.5	Q147 C178 K200 V201	Q147-Q180 HydrophobicContact CG-CG 4.48Å; C178-Q180 PolarHBondContact SG-NE2 3.04Å; C178-Q180 VanDerWaalsContact SG-NE2 3.39Å; Q180-K200 WeakPolarHBondContact O-CA 3.44Å; Q180-V201 HydrophobicContact CB-CG1 4.24Å; Q180-V201 PolarHBondContact N-O 3.34Å; Q180-V201 PolarHBondContact O-N 3.37Å
181	T	74	Confident	73.9	Confident	6 Å²	6	46.8 Å²	46.8	4%	0.037	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	140.1	169.2	-57.3	0	0	0	0	108.3	K144 C189 V191 Y199 K200	K144-T181 PolarHBondContact O-OG1 2.81Å; T181-C189 PolarHBondContact O-N 2.89Å; T181-C189 VanDerWaalsContact O-N 3.08Å; T181-V191 HydrophobicContact CG2-CG2 3.68Å; T181-Y199 WeakPolarHBondContact CG2-O 3.48Å; T181-K200 WeakPolarHBondContact OG1-CE 3.34Å
182	T	74.5	Confident	72.7	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	169.7	-173.4	66.6	0	0	0	0	112.6	W186 K187 C189 Y199 V201	T182-W186 WeakPolarHBondContact CG2-O 3.38Å; T182-K187 CarbonylContact C-O 3.59Å; T182-K187 WeakPolarHBondContact CA-O 3.41Å; T182-K187 WeakPolarHBondContact CB-O 3.21Å; T182-C189 VanDerWaalsContact C-SG 3.54Å; T182-Y199 PolarHBondContact N-O 3.41Å; T182-Y199 WeakPolarHBondContact OG1-CB 3.37Å; T182-V201 HydrophobicContact CG2-CB 3.75Å; T182-V201 HydrophobicContact CG2-CG1 3.4Å; T182-V201 VanDerWaalsContact CG2-CG1 3.4Å
183	D	78.8	Confident	71.4	Confident	43 Å²	43	60.7 Å²	60.7	23%	0.23	30%	0.301	C	S	.	.			trans	-78.1	-174.4	160.7	63.8	19	0	0	0	111.4	N185 W186 K187 C189 Y199	D183-N185 PolarHBondContact O-N 3.02Å; D183-N185 VanDerWaalsContact OD1-CA 3.26Å; D183-N185 WeakPolarHBondContact OD1-CA 3.32Å; D183-N185 WeakPolarHBondContact OD1-CB 3.38Å; D183-N185 PolarHBondContact OD1-N 3.49Å; D183-W186 PolarHBondContact O-N 3.27Å; D183-W186 PolarHBondContact OD1-N 2.74Å; D183-K187 PolarHBondContact N-O 2.98Å; D183-K187 PolarHBondContact OD1-N 2.91Å; D183-C189 HydrophobicContact CB-CB 3.89Å; D183-C189 PolarHBondContact N-SG 2.86Å; D183-C189 VanDerWaalsContact N-SG 3.44Å; D183-Y199 WeakPolarHBondContact O-CB 3.43Å
184	D	75.5	Confident	69.9	Low	99 Å²	99	64.5 Å²	64.5	53%	0.529	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.1	174.8	63.7	-29.5	0	0	0	114.1	W186 Y199	D184-W186 VanDerWaalsContact C-N 3.33Å; D184-Y199 HydrophobicContact CB-CE1 4.31Å; D184-Y199 HydrophobicContact CB-CE2 3.84Å
185	N	76.7	Confident	68.6	Low	106 Å²	106	67.4 Å²	67.4	57%	0.567	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	11	174.6	-69.4	-94.3	0	0	0	112	D183 K187	D183-N185 PolarHBondContact O-N 3.02Å; D183-N185 VanDerWaalsContact OD1-CA 3.26Å; D183-N185 WeakPolarHBondContact OD1-CA 3.32Å; D183-N185 WeakPolarHBondContact OD1-CB 3.38Å; D183-N185 PolarHBondContact OD1-N 3.49Å; N185-K187 PolarHBondContact O-N 2.89Å; N185-K187 VanDerWaalsContact O-N 3.16Å
186	W	71.3	Confident	67.5	Low	88 Å²	88	68.2 Å²	68.2	33%	0.333	34%	0.34	S	S	.	.	S	Bend	trans	58.8	13.9	-175.1	-55.5	105.9	0	0	0	115.5	T182 D183 D184 Y199 Y232 K234	T182-W186 WeakPolarHBondContact CG2-O 3.38Å; D183-W186 PolarHBondContact O-N 3.27Å; D183-W186 PolarHBondContact OD1-N 2.74Å; D184-W186 VanDerWaalsContact C-N 3.33Å; W186-Y199 HydrophobicContact CE3-CD1 4.45Å; W186-Y199 AromaticContact CH2-CD1 3.91Å; W186-Y199 HydrophobicContact CH2-CD1 3.91Å; W186-Y199 HydrophobicContact CZ2-CD1 4.21Å; W186-Y199 HydrophobicContact CZ3-CD1 4.03Å; W186-Y232 AromaticContact CD2-CD1 3.89Å; W186-Y232 HydrophobicContact CD2-CD1 3.89Å; W186-Y232 AromaticContact CE3-CD1 3.97Å; W186-Y232 HydrophobicContact CE3-CD1 3.97Å; W186-Y232 HydrophobicContact CG-CD1 4.23Å; W186-Y232 HydrophobicContact CZ3-CD1 4.42Å; W186-K234 HydrophobicContact CH2-CB 4.14Å
187	K	72.7	Confident	66.8	Low	139 Å²	139	68.9 Å²	68.9	60%	0.604	34%	0.344	S	S	*	.			trans	-79	137.4	174.1	-65.6	177	179.4	173.3	0	109.4	T182 D183 N185 C189	T182-K187 CarbonylContact C-O 3.59Å; T182-K187 WeakPolarHBondContact CA-O 3.41Å; T182-K187 WeakPolarHBondContact CB-O 3.21Å; D183-K187 PolarHBondContact N-O 2.98Å; D183-K187 PolarHBondContact OD1-N 2.91Å; N185-K187 PolarHBondContact O-N 2.89Å; N185-K187 VanDerWaalsContact O-N 3.16Å; K187-C189 PolarHBondContact O-N 2.97Å; K187-C189 VanDerWaalsContact O-N 3.08Å
188	P	69.1	Low	66.6	Low	82 Å²	82	71.1 Å²	71.1	53%	0.532	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-55.8	117.1	175.6	-27.1	36.4	0	0	0	110.8
189	C	67	Low	66.5	Low	33 Å²	33	71.9 Å²	71.9	22%	0.223	36%	0.357	C	S	.	.			trans	-133.6	156.6	-171.8	109.5	0	0	0	0	110.8	T181 T182 D183 K187	T181-C189 PolarHBondContact O-N 2.89Å; T181-C189 VanDerWaalsContact O-N 3.08Å; T182-C189 VanDerWaalsContact C-SG 3.54Å; D183-C189 HydrophobicContact CB-CB 3.89Å; D183-C189 PolarHBondContact N-SG 2.86Å; D183-C189 VanDerWaalsContact N-SG 3.44Å; K187-C189 PolarHBondContact O-N 2.97Å; K187-C189 VanDerWaalsContact O-N 3.08Å
190	I	59.1	Low	66.3	Low	65 Å²	65	72.7 Å²	72.7	33%	0.333	36%	0.36	S	S	.	.			trans	-94.6	121.3	165.3	-58.6	164.6	0	0	0	106.1	K192	I190-K192 PolarHBondContact O-N 2.98Å
191	V	57.2	Low	66.3	Low	33 Å²	33	70.7 Å²	70.7	20%	0.2	35%	0.351	C	S	.	.			trans	-74.3	95.1	178.7	179	0	0	0	0	108.3	T181 E193 T195	T181-V191 HydrophobicContact CG2-CG2 3.68Å; V191-E193 WeakPolarHBondContact CG1-O 3.49Å; V191-T195 HydrophobicContact CG1-CG2 3.95Å; V191-T195 WeakPolarHBondContact CG1-OG1 3.45Å
192	K	50.5	Low	65.9	Low	177 Å²	177	70.6 Å²	70.6	77%	0.77	35%	0.351	S	S	*	.			trans	-81.8	-15.2	-174.4	-69.8	178.3	-178	179	0	114.5	I190	I190-K192 PolarHBondContact O-N 2.98Å
193	E	53.2	Low	65.2	Low	163 Å²	163	74.1 Å²	74.1	76%	0.762	37%	0.369	S	S	*	.	S	Bend	trans	-131	171.9	-172.6	-64.4	-173.6	156.3	0	0	111.4	V191 T195	V191-E193 WeakPolarHBondContact CG1-O 3.49Å; E193-T195 PolarHBondContact O-N 2.77Å
194	L	49.3	Very low	64.3	Low	121 Å²	121	76.1 Å²	76.1	63%	0.634	38%	0.377	S	S	*	.			trans	-73.1	67.5	174.6	-80.9	163	0	0	0	111.8	K196	L194-K196 PolarHBondContact O-N 2.86Å
195	T	52.3	Low	64.1	Low	71 Å²	71	71.7 Å²	71.7	44%	0.436	35%	0.353	S	S	.	.			trans	-66.8	116.6	175.1	65.2	0	0	0	0	109.6	V191 E193 I197	V191-T195 HydrophobicContact CG1-CG2 3.95Å; V191-T195 WeakPolarHBondContact CG1-OG1 3.45Å; E193-T195 PolarHBondContact O-N 2.77Å; T195-I197 WeakPolarHBondContact CB-O 3.46Å; T195-I197 PolarHBondContact O-N 2.81Å; T195-I197 PolarHBondContact OG1-O 2.82Å
196	K	61.7	Low	64	Low	113 Å²	113	69.4 Å²	69.4	49%	0.491	34%	0.339	S	S	.	.	S	Bend	trans	-63.3	-13	178.4	-57.4	-179.9	-174	174.3	0	113	L194 N236 P237 T241 D242	L194-K196 PolarHBondContact O-N 2.86Å; K196-N236 PolarHBondContact O-OD1 3.39Å; K196-P237 WeakPolarHBondContact O-CD 3.34Å; K196-T241 WeakPolarHBondContact CD-O 3.43Å; K196-T241 WeakPolarHBondContact CE-O 3.31Å; K196-T241 PolarHBondContact NZ-O 3.26Å; K196-D242 HydrophobicContact CB-CB 4.49Å; K196-D242 HydrophobicContact CD-CB 4.25Å
197	I	65.7	Low	64.1	Low	28 Å²	28	67.9 Å²	67.9	14%	0.144	34%	0.341	C	S	.	.	S	Bend	trans	-122.5	139.8	177.8	-58.8	176.1	0	0	0	108	T195 Y199 K234 L235 N236 T248	T195-I197 WeakPolarHBondContact CB-O 3.46Å; T195-I197 PolarHBondContact O-N 2.81Å; T195-I197 PolarHBondContact OG1-O 2.82Å; I197-Y199 HydrophobicContact CB-CE2 4.16Å; I197-Y199 HydrophobicContact CG2-CD2 4.12Å; I197-Y199 HydrophobicContact CG2-CE1 4.38Å; I197-Y199 HydrophobicContact CG2-CE2 3.59Å; I197-K234 HydrophobicContact CG2-CD 4.34Å; I197-K234 HydrophobicContact CG2-CG 3.66Å; I197-L235 CarbonylContact C-O 3.42Å; I197-L235 WeakPolarHBondContact CA-O 3.44Å; I197-N236 HydrophobicContact CG1-CB 4.3Å; I197-T248 HydrophobicContact CD1-CG2 4.11Å
198	I	69	Low	64.2	Low	46 Å²	46	61.8 Å²	61.8	24%	0.236	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.2	175	-55.6	175.4	0	0	0	108.5	K200 K234 L235	I198-K200 HydrophobicContact CG2-CG 4.41Å; I198-K234 WeakPolarHBondContact O-CA 3.47Å; I198-L235 HydrophobicContact CB-CB 4.38Å; I198-L235 HydrophobicContact CD1-CD2 4.3Å; I198-L235 PolarHBondContact N-O 3.14Å; I198-L235 PolarHBondContact O-N 2.87Å
199	Y	72.6	Confident	64.5	Low	32 Å²	32	58 Å²	58	13%	0.125	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.5	172.5	-57.4	-101.2	0	0	0	109.9	T181 T182 D183 D184 W186 I197 L233 K234	T181-Y199 WeakPolarHBondContact CG2-O 3.48Å; T182-Y199 PolarHBondContact N-O 3.41Å; T182-Y199 WeakPolarHBondContact OG1-CB 3.37Å; D183-Y199 WeakPolarHBondContact O-CB 3.43Å; D184-Y199 HydrophobicContact CB-CE1 4.31Å; D184-Y199 HydrophobicContact CB-CE2 3.84Å; W186-Y199 HydrophobicContact CE3-CD1 4.45Å; W186-Y199 AromaticContact CH2-CD1 3.91Å; W186-Y199 HydrophobicContact CH2-CD1 3.91Å; W186-Y199 HydrophobicContact CZ2-CD1 4.21Å; W186-Y199 HydrophobicContact CZ3-CD1 4.03Å; I197-Y199 HydrophobicContact CB-CE2 4.16Å; I197-Y199 HydrophobicContact CG2-CD2 4.12Å; I197-Y199 HydrophobicContact CG2-CE1 4.38Å; I197-Y199 HydrophobicContact CG2-CE2 3.59Å; Y199-L233 CarbonylContact C-O 3.5Å; Y199-L233 WeakPolarHBondContact CA-O 3.38Å; Y199-K234 HydrophobicContact CD1-CB 4.01Å; Y199-K234 HydrophobicContact CD1-CD 4.36Å; Y199-K234 HydrophobicContact CD1-CG 4.05Å; Y199-K234 HydrophobicContact CE1-CB 4.1Å; Y199-K234 HydrophobicContact CE1-CD 3.59Å; Y199-K234 HydrophobicContact CE1-CG 3.7Å; Y199-K234 PolarHBondContact OH-NZ 2.83Å
200	K	69.4	Low	64.9	Low	33 Å²	33	57.7 Å²	57.7	14%	0.143	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.2	171.5	-69.8	-154.4	174	-154.4	0	110.3	I143 K144 Q180 T181 I198 L233 F2002	I143-K200 PolarHBondContact O-NZ 2.94Å; K144-K200 WeakPolarHBondContact O-CE 3.33Å; K144-K200 PolarHBondContact O-NZ 2.93Å; K144-K200 VanDerWaalsContact O-NZ 3.13Å; Q180-K200 WeakPolarHBondContact O-CA 3.44Å; T181-K200 WeakPolarHBondContact OG1-CE 3.34Å; I198-K200 HydrophobicContact CG2-CG 4.41Å; K200-L233 PolarHBondContact N-O 2.97Å; K200-L233 PolarHBondContact O-N 2.97Å; K200-F2002 HydrophobicContact CD-CE1 4.37Å
201	V	72.1	Confident	65.9	Low	4 Å²	4	54.6 Å²	54.6	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.4	178.5	81.5	0	0	0	0	111.1	Q180 T182 D203 A231 Y232	Q180-V201 HydrophobicContact CB-CG1 4.24Å; Q180-V201 PolarHBondContact N-O 3.34Å; Q180-V201 PolarHBondContact O-N 3.37Å; T182-V201 HydrophobicContact CG2-CB 3.75Å; T182-V201 HydrophobicContact CG2-CG1 3.4Å; T182-V201 VanDerWaalsContact CG2-CG1 3.4Å; V201-D203 HydrophobicContact CG1-CB 4.27Å; V201-D203 HydrophobicContact CG2-CB 4.04Å; V201-A231 CarbonylContact C-O 3.4Å; V201-A231 WeakPolarHBondContact CA-O 3.46Å; V201-Y232 HydrophobicContact CG2-CD1 3.52Å; V201-Y232 HydrophobicContact CG2-CE1 3.64Å; V201-Y232 HydrophobicContact CG2-CG 4.29Å
202	S	66.2	Low	66.9	Low	5 Å²	5	53.8 Å²	53.8	4%	0.035	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	85.5	154.3	-167.4	0	0	0	0	106.2	C178 Q204 G230 A231	C178-S202 VanDerWaalsContact O-CA 3.31Å; C178-S202 WeakPolarHBondContact O-CA 3.43Å; C178-S202 WeakPolarHBondContact O-CB 3.38Å; C178-S202 PolarHBondContact O-OG 3.45Å; S202-Q204 VanDerWaalsContact C-N 3.29Å; S202-G230 CarbonylContact O-C 3.46Å; S202-G230 WeakPolarHBondContact O-CA 3.48Å; S202-A231 PolarHBondContact N-O 2.81Å; S202-A231 PolarHBondContact O-N 2.91Å
203	D	59.2	Low	68.2	Low	76 Å²	76	45.4 Å²	45.4	41%	0.406	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-29.5	-172	-171.4	63.7	0	0	0	111.6	V201	V201-D203 HydrophobicContact CG1-CB 4.27Å; V201-D203 HydrophobicContact CG2-CB 4.04Å
204	Q	61.6	Low	69.2	Low	85 Å²	85	39.2 Å²	39.2	40%	0.397	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	70.2	-163.9	-71.7	175.1	33.4	0	0	111.4	S202 K206	S202-Q204 VanDerWaalsContact C-N 3.29Å; Q204-K206 HydrophobicContact CB-CG 4.17Å; Q204-K206 PolarHBondContact O-N 3.44Å
205	M	70.2	Confident	70	Confident	5 Å²	5	38.7 Å²	38.7	3%	0.025	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	95.6	156.3	177.2	175.5	166.7	0	0	107.8	L174 E176 L177 F208 S228 I229 M2028	L174-M205 HydrophobicContact CD1-CE 4.07Å; L174-M205 HydrophobicContact CD1-CG 3.73Å; L174-M205 HydrophobicContact CD2-CE 4.31Å; L174-M205 HydrophobicContact CD2-CG 4.47Å; E176-M205 CarbonylContact O-C 3.55Å; E176-M205 WeakPolarHBondContact O-CA 3.1Å; L177-M205 HydrophobicContact CD1-CB 3.89Å; L177-M205 HydrophobicContact CD1-CG 3.81Å; L177-M205 HydrophobicContact CD1-SD 4.04Å; M205-F208 HydrophobicContact CE-CB 3.68Å; M205-F208 HydrophobicContact CE-CD1 4.24Å; M205-F208 HydrophobicContact CE-CD2 3.65Å; M205-F208 HydrophobicContact CE-CE2 4.44Å; M205-F208 HydrophobicContact CE-CG 3.54Å; M205-S228 WeakPolarHBondContact O-CA 3.41Å; M205-I229 HydrophobicContact CB-CB 4.21Å; M205-I229 WeakPolarHBondContact CB-O 3.3Å; M205-I229 HydrophobicContact CE-CD1 4.18Å; M205-I229 PolarHBondContact N-O 3.14Å; M205-I229 PolarHBondContact O-N 3Å; M205-I229 VanDerWaalsContact O-N 3.07Å; M205-I229 HydrophobicContact SD-CB 4.27Å; M205-I229 HydrophobicContact SD-CD1 4.05Å; M205-I229 HydrophobicContact SD-CG1 4.41Å; M205-M2028 HydrophobicContact CE-CE 3.58Å; M205-M2028 HydrophobicContact CE-SD 4.2Å; M205-M2028 HydrophobicContact SD-CE 3.53Å; M205-M2028 VanDerWaalsContact SD-CE 3.53Å; M205-M2028 HydrophobicContact SD-CG 4.31Å; M205-M2028 HydrophobicContact SD-SD 3.48Å
206	K	74.7	Confident	70.2	Confident	59 Å²	59	38.1 Å²	38.1	26%	0.257	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.8	-168.9	-68.6	178.3	-177.9	141	0	113.6	L174 H175 E176 Q204 F208	L174-K206 WeakPolarHBondContact CD1-O 3.41Å; H175-K206 PolarHBondContact N-O 2.69Å; E176-K206 HydrophobicContact CB-CB 4.23Å; E176-K206 HydrophobicContact CB-CD 4.32Å; E176-K206 PolarHBondContact O-N 3.14Å; E176-K206 IonicContact OE2-NZ 3.77Å; E176-K206 PolarHBondContact OE2-NZ 3.14Å; Q204-K206 HydrophobicContact CB-CG 4.17Å; Q204-K206 PolarHBondContact O-N 3.44Å; K206-F208 VanDerWaalsContact C-N 3.32Å; K206-F208 PolarHBondContact O-N 3.01Å
207	S	73.9	Confident	69.9	Low	55 Å²	55	42.2 Å²	42.2	39%	0.385	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.1	46.2	168.1	-50.4	0	0	0	0	112.8	A209 I227	S207-A209 PolarHBondContact O-N 3Å; S207-I227 PolarHBondContact N-O 2.92Å; S207-I227 VanDerWaalsContact N-O 3.13Å
208	F	74.6	Confident	69.4	Low	11 Å²	11	47.4 Å²	47.4	5%	0.048	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	117.5	172.2	-179.8	-106.7	0	0	0	110	V172 L174 M205 K206 V210 L224 P226 I227 V2029	V172-F208 HydrophobicContact CG1-CD2 4.46Å; V172-F208 HydrophobicContact CG1-CE2 3.44Å; V172-F208 VanDerWaalsContact CG1-CE2 3.44Å; V172-F208 HydrophobicContact CG1-CZ 3.87Å; L174-F208 HydrophobicContact CB-CD2 4.35Å; L174-F208 HydrophobicContact CD1-CB 3.81Å; L174-F208 HydrophobicContact CD1-CD2 4.08Å; L174-F208 HydrophobicContact CD1-CG 4.44Å; M205-F208 HydrophobicContact CE-CB 3.68Å; M205-F208 HydrophobicContact CE-CD1 4.24Å; M205-F208 HydrophobicContact CE-CD2 3.65Å; M205-F208 HydrophobicContact CE-CE2 4.44Å; M205-F208 HydrophobicContact CE-CG 3.54Å; K206-F208 VanDerWaalsContact C-N 3.32Å; K206-F208 PolarHBondContact O-N 3.01Å; F208-V210 HydrophobicContact CE1-CG2 4.26Å; F208-V210 HydrophobicContact CZ-CG2 4.02Å; F208-L224 HydrophobicContact CD1-CD2 3.71Å; F208-L224 HydrophobicContact CE1-CD2 3.38Å; F208-L224 HydrophobicContact CZ-CD2 4.41Å; F208-P226 WeakPolarHBondContact O-CA 3.15Å; F208-I227 HydrophobicContact CD1-CD1 4.41Å; F208-I227 PolarHBondContact N-O 2.83Å; F208-I227 PolarHBondContact O-N 3.25Å; F208-V2029 HydrophobicContact CE1-CG1 3.92Å; F208-V2029 HydrophobicContact CE1-CG2 4.01Å; F208-V2029 HydrophobicContact CE2-CG2 3.52Å; F208-V2029 HydrophobicContact CZ-CB 4.04Å; F208-V2029 HydrophobicContact CZ-CG1 3.56Å; F208-V2029 HydrophobicContact CZ-CG2 3.24Å
209	A	74.4	Confident	68.9	Low	3 Å²	3	48.9 Å²	48.9	3%	0.025	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.2	-173.5	0	0	0	0	0	112.2	T173 S207 L222 P226	T173-A209 PolarHBondContact N-O 2.86Å; T173-A209 PolarHBondContact O-N 2.94Å; T173-A209 WeakPolarHBondContact OG1-CB 3.48Å; S207-A209 PolarHBondContact O-N 3Å; A209-L222 HydrophobicContact CB-CD2 3.81Å; A209-P226 HydrophobicContact CB-CB 4.38Å; A209-P226 HydrophobicContact CB-CG 4.22Å
210	V	75.7	Confident	68.3	Low	27 Å²	27	50.5 Å²	50.5	16%	0.164	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129	178.1	-177	0	0	0	0	108.9	L170 G171 V172 F208 L222 V223 L224	L170-V210 HydrophobicContact CD1-CG1 4Å; G171-V210 WeakPolarHBondContact O-CA 3.29Å; G171-V210 WeakPolarHBondContact O-CG1 3.23Å; V172-V210 HydrophobicContact CG1-CG2 4.47Å; V172-V210 HydrophobicContact CG2-CG2 4.28Å; F208-V210 HydrophobicContact CE1-CG2 4.26Å; F208-V210 HydrophobicContact CZ-CG2 4.02Å; V210-L222 CarbonylContact O-C 3.56Å; V210-V223 PolarHBondContact O-N 2.99Å; V210-L224 HydrophobicContact CB-CB 3.8Å; V210-L224 HydrophobicContact CB-CD2 4.47Å; V210-L224 HydrophobicContact CG2-CB 4.1Å; V210-L224 HydrophobicContact CG2-CD2 3.83Å; V210-L224 PolarHBondContact N-O 2.81Å; V210-L224 PolarHBondContact O-N 2.89Å
211	Y	79.9	Confident	68.1	Low	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	152.7	178.3	68.3	-101.9	0	0	0	111.7	H154 R156 A169 G171 T173 N213 V219 D221	H154-Y211 AromaticContact NE2-CE1 3.5Å; H154-Y211 AromaticContact NE2-CZ 3.63Å; H154-Y211 PolarHBondContact NE2-OH 2.85Å; R156-Y211 WeakPolarHBondContact CG-OH 3.25Å; A169-Y211 WeakPolarHBondContact O-CE2 3.29Å; G171-Y211 VanDerWaalsContact CA-CZ 3.44Å; G171-Y211 PolarHBondContact N-O 3.1Å; G171-Y211 PolarHBondContact O-N 2.84Å; T173-Y211 HydrophobicContact CG2-CE1 4.35Å; Y211-N213 WeakPolarHBondContact CD2-ND2 3.34Å; Y211-N213 WeakPolarHBondContact CD2-OD1 3.22Å; Y211-V219 HydrophobicContact CD1-CB 4.49Å; Y211-V219 HydrophobicContact CD1-CG1 3.59Å; Y211-V219 HydrophobicContact CD1-CG2 4.1Å; Y211-V219 HydrophobicContact CE1-CG1 4.07Å; Y211-V219 HydrophobicContact CE1-CG2 3.71Å; Y211-V219 HydrophobicContact CE2-CG2 4.35Å; Y211-V219 HydrophobicContact CG-CG1 3.87Å; Y211-D221 WeakPolarHBondContact CA-O 3.2Å
212	W	78.4	Confident	67.7	Low	16 Å²	16	53.4 Å²	53.4	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	98.8	174.4	-168.9	-53.9	0	0	0	109.7	F168 L170 F214 D221 V223 Q268 I272 F275	F168-W212 AromaticContact CD2-CE2 3.7Å; F168-W212 AromaticContact CD2-CZ2 3.83Å; F168-W212 HydrophobicContact CD2-CZ2 3.83Å; F168-W212 AromaticContact CD2-NE1 3.54Å; F168-W212 HydrophobicContact CE1-CZ2 4.46Å; F168-W212 AromaticContact CE2-CE2 3.87Å; F168-W212 HydrophobicContact CE2-CH2 4.14Å; F168-W212 AromaticContact CE2-CZ2 3.52Å; F168-W212 HydrophobicContact CE2-CZ2 3.52Å; F168-W212 HydrophobicContact CG-CZ2 4.44Å; F168-W212 AromaticContact CG-NE1 3.77Å; F168-W212 HydrophobicContact CZ-CH2 4.5Å; F168-W212 AromaticContact CZ-CZ2 3.88Å; F168-W212 HydrophobicContact CZ-CZ2 3.88Å; L170-W212 HydrophobicContact CD1-CE3 3.83Å; L170-W212 HydrophobicContact CD1-CZ3 4.3Å; L170-W212 HydrophobicContact CD2-CZ3 4.41Å; W212-F214 AromaticContact CD1-CE2 3.62Å; W212-F214 AromaticContact CD1-CZ 3.45Å; W212-F214 VanDerWaalsContact CD1-CZ 3.45Å; W212-F214 AromaticContact NE1-CE1 3.6Å; W212-F214 AromaticContact NE1-CE2 3.97Å; W212-F214 AromaticContact NE1-CZ 3.29Å; W212-F214 VanDerWaalsContact NE1-CZ 3.29Å; W212-D221 PolarHBondContact N-O 2.67Å; W212-V223 HydrophobicContact CB-CG2 3.56Å; W212-Q268 PolarHBondContact O-NE2 3.44Å; W212-I272 HydrophobicContact CD2-CG1 4.18Å; W212-I272 HydrophobicContact CE3-CD1 4.46Å; W212-I272 HydrophobicContact CE3-CG1 3.75Å; W212-I272 HydrophobicContact CH2-CB 4.39Å; W212-I272 HydrophobicContact CH2-CG1 3.83Å; W212-I272 HydrophobicContact CZ2-CG1 4.21Å; W212-I272 HydrophobicContact CZ3-CG1 3.58Å; W212-F275 HydrophobicContact CH2-CB 3.78Å; W212-F275 AromaticContact CH2-CD1 3.76Å; W212-F275 HydrophobicContact CH2-CD1 3.76Å; W212-F275 AromaticContact CH2-CG 3.89Å; W212-F275 HydrophobicContact CH2-CG 3.89Å; W212-F275 HydrophobicContact CZ2-CB 3.95Å; W212-F275 HydrophobicContact CZ2-CG 4.4Å
213	N	78.4	Confident	67.7	Low	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.6	-170.6	-35.9	-29.6	0	0	0	110.6	F168 A169 Y211 C216 L218 V219 D221	F168-N213 CarbonylContact C-O 3.56Å; F168-N213 VanDerWaalsContact CA-O 3.3Å; F168-N213 WeakPolarHBondContact CA-O 3.26Å; F168-N213 WeakPolarHBondContact CB-O 3.44Å; A169-N213 PolarHBondContact N-O 2.82Å; A169-N213 PolarHBondContact O-N 2.86Å; Y211-N213 WeakPolarHBondContact CD2-ND2 3.34Å; Y211-N213 WeakPolarHBondContact CD2-OD1 3.22Å; N213-C216 HydrophobicContact CB-CB 4.17Å; N213-L218 PolarHBondContact ND2-O 2.66Å; N213-V219 WeakPolarHBondContact ND2-CA 3.17Å; N213-D221 VanDerWaalsContact CA-OD2 3.3Å; N213-D221 WeakPolarHBondContact CA-OD2 3.41Å; N213-D221 WeakPolarHBondContact CB-OD2 3.35Å; N213-D221 WeakPolarHBondContact OD1-CB 3.44Å; N213-D221 PolarHBondContact OD1-N 2.82Å
214	F	73.6	Confident	67.9	Low	33 Å²	33	51.7 Å²	51.7	15%	0.145	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139.3	177.3	-59.8	-89.3	0	0	0	110.9	R166 F168 W212 C216 F267 Q268	R166-F214 HydrophobicContact CB-CD1 4.36Å; F168-F214 HydrophobicContact CB-CD1 3.83Å; F168-F214 HydrophobicContact CB-CE1 4.11Å; W212-F214 AromaticContact CD1-CE2 3.62Å; W212-F214 AromaticContact CD1-CZ 3.45Å; W212-F214 VanDerWaalsContact CD1-CZ 3.45Å; W212-F214 AromaticContact NE1-CE1 3.6Å; W212-F214 AromaticContact NE1-CE2 3.97Å; W212-F214 AromaticContact NE1-CZ 3.29Å; W212-F214 VanDerWaalsContact NE1-CZ 3.29Å; F214-C216 PolarHBondContact O-N 2.86Å; F214-C216 PolarHBondContact O-SG 2.69Å; F214-C216 VanDerWaalsContact O-SG 3.4Å; F214-F267 HydrophobicContact CE2-CB 4.29Å; F214-F267 WeakPolarHBondContact CE2-O 3.47Å; F214-F267 WeakPolarHBondContact CZ-O 3.39Å; F214-Q268 HydrophobicContact CE2-CB 4.41Å; F214-Q268 HydrophobicContact CE2-CG 3.95Å
215	N	65.7	Low	68.2	Low	110 Å²	110	50 Å²	50	59%	0.588	27%	0.269	S	S	*	.	S	Bend	trans	57	-1.8	178.8	-63.4	-14.3	0	0	0	116.4	R166 P167	R166-N215 WeakPolarHBondContact CA-OD1 3.22Å; P167-N215 VanDerWaalsContact CD-OD1 3.28Å; P167-N215 WeakPolarHBondContact CD-OD1 3.17Å; P167-N215 PolarHBondContact O-N 3.47Å; P167-N215 PolarHBondContact O-OD1 3.3Å
216	C	58.3	Low	68.3	Low	60 Å²	60	53.3 Å²	53.3	41%	0.405	29%	0.291	S	S	.	.			trans	-99.4	137.6	-172.3	-73.6	0	0	0	0	114	N213 F214	N213-C216 HydrophobicContact CB-CB 4.17Å; F214-C216 PolarHBondContact O-N 2.86Å; F214-C216 PolarHBondContact O-SG 2.69Å; F214-C216 VanDerWaalsContact O-SG 3.4Å
217	K	54.9	Low	67.9	Low	198 Å²	198	50.9 Å²	50.9	86%	0.861	28%	0.28	S	S	*	.	S	Bend	trans	-79.5	-22.5	170.1	-65.8	-178.7	-179.7	176.9	0	113.1
218	L	55.4	Low	67.8	Low	137 Å²	137	50.4 Å²	50.4	72%	0.717	28%	0.277	S	S	*	.	S	Bend	trans	-93.1	176.8	-174.6	-66.8	167.7	0	0	0	112.1	N213	N213-L218 PolarHBondContact ND2-O 2.66Å
219	V	57.7	Low	67.3	Low	78 Å²	78	51.7 Å²	51.7	47%	0.473	28%	0.284	S	S	.	.			trans	-105	122.7	171.7	178.1	0	0	0	0	108.8	Y211 N213	Y211-V219 HydrophobicContact CD1-CB 4.49Å; Y211-V219 HydrophobicContact CD1-CG1 3.59Å; Y211-V219 HydrophobicContact CD1-CG2 4.1Å; Y211-V219 HydrophobicContact CE1-CG1 4.07Å; Y211-V219 HydrophobicContact CE1-CG2 3.71Å; Y211-V219 HydrophobicContact CE2-CG2 4.35Å; Y211-V219 HydrophobicContact CG-CG1 3.87Å; N213-V219 WeakPolarHBondContact ND2-CA 3.17Å
220	S	59.3	Low	67	Low	66 Å²	66	51.7 Å²	51.7	46%	0.462	28%	0.284	S	S	.	.			trans	-146.7	-47.4	-178	48.3	0	0	0	0	112.7	L222	S220-L222 PolarHBondContact O-N 2.78Å; S220-L222 VanDerWaalsContact O-N 3.13Å
221	D	65.4	Low	66.6	Low	45 Å²	45	50.9 Å²	50.9	24%	0.241	28%	0.28	C	S	.	.			trans	-96.2	79.2	-160.2	-39.6	-26.3	0	0	0	110.3	Y211 W212 N213 V223 Q268	Y211-D221 WeakPolarHBondContact CA-O 3.2Å; W212-D221 PolarHBondContact N-O 2.67Å; N213-D221 VanDerWaalsContact CA-OD2 3.3Å; N213-D221 WeakPolarHBondContact CA-OD2 3.41Å; N213-D221 WeakPolarHBondContact CB-OD2 3.35Å; N213-D221 WeakPolarHBondContact OD1-CB 3.44Å; N213-D221 PolarHBondContact OD1-N 2.82Å; D221-V223 PolarHBondContact O-N 2.83Å; D221-Q268 PolarHBondContact O-NE2 3.35Å; D221-Q268 VanDerWaalsContact O-NE2 3.12Å
222	L	64.4	Low	66.4	Low	53 Å²	53	53.8 Å²	53.8	28%	0.277	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	111.2	-178.5	-75.2	169.4	0	0	0	112.2	A209 V210 S220 L225 P226	A209-L222 HydrophobicContact CB-CD2 3.81Å; V210-L222 CarbonylContact O-C 3.56Å; S220-L222 PolarHBondContact O-N 2.78Å; S220-L222 VanDerWaalsContact O-N 3.13Å; L222-L225 HydrophobicContact CB-CD2 4.38Å; L222-P226 HydrophobicContact CD1-CG 4.47Å
223	V	65	Low	66.1	Low	21 Å²	21	54.3 Å²	54.3	13%	0.127	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-37.7	172.5	176.9	0	0	0	0	111.2	V210 W212 D221 N263 I264 Q268	V210-V223 PolarHBondContact O-N 2.99Å; W212-V223 HydrophobicContact CB-CG2 3.56Å; D221-V223 PolarHBondContact O-N 2.83Å; V223-N263 VanDerWaalsContact CA-O 3.29Å; V223-N263 WeakPolarHBondContact CA-O 3.39Å; V223-N263 PolarHBondContact O-N 3.33Å; V223-I264 HydrophobicContact CG1-CG1 4.33Å; V223-Q268 HydrophobicContact CG2-CG 4.45Å
224	L	64.5	Low	65.8	Low	24 Å²	24	56.4 Å²	56.4	13%	0.126	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	118.5	176.8	-170	75.4	0	0	0	107.8	F208 V210 I227 L260 L262	F208-L224 HydrophobicContact CD1-CD2 3.71Å; F208-L224 HydrophobicContact CE1-CD2 3.38Å; F208-L224 HydrophobicContact CZ-CD2 4.41Å; V210-L224 HydrophobicContact CB-CB 3.8Å; V210-L224 HydrophobicContact CB-CD2 4.47Å; V210-L224 HydrophobicContact CG2-CB 4.1Å; V210-L224 HydrophobicContact CG2-CD2 3.83Å; V210-L224 PolarHBondContact N-O 2.81Å; V210-L224 PolarHBondContact O-N 2.89Å; L224-I227 HydrophobicContact CD1-CD1 3.65Å; L224-I227 HydrophobicContact CD2-CD1 3.57Å; L224-I227 HydrophobicContact CG-CD1 3.46Å; L224-I227 VanDerWaalsContact CG-CD1 3.46Å; L224-L260 HydrophobicContact CD1-CD1 3.72Å; L224-L262 HydrophobicContact CD1-CD2 3.47Å; L224-L262 VanDerWaalsContact CD1-CD2 3.47Å; L224-L262 HydrophobicContact CD1-CG 4.22Å
225	L	67.4	Low	65.6	Low	50 Å²	50	57.6 Å²	57.6	26%	0.262	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	158.1	177.4	-67	-174.2	0	0	0	111	L222 I227 G261	L222-L225 HydrophobicContact CB-CD2 4.38Å; L225-I227 WeakPolarHBondContact O-CD1 3.39Å; L225-I227 WeakPolarHBondContact O-CG1 3.33Å; L225-I227 PolarHBondContact O-N 2.84Å; L225-G261 PolarHBondContact N-O 3.25Å; L225-G261 VanDerWaalsContact N-O 3.07Å
226	P	72.5	Confident	65.8	Low	74 Å²	74	52.3 Å²	52.3	48%	0.481	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	107.1	-177.6	-20.2	33.4	0	0	0	112.1	F208 A209 L222	F208-P226 WeakPolarHBondContact O-CA 3.15Å; A209-P226 HydrophobicContact CB-CB 4.38Å; A209-P226 HydrophobicContact CB-CG 4.22Å; L222-P226 HydrophobicContact CD1-CG 4.47Å
227	I	67.1	Low	66	Low	7 Å²	7	52.4 Å²	52.4	4%	0.036	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	143.6	-178.4	-63.3	136.7	0	0	0	110.7	S207 F208 L224 L225 I229 V257 K259 L260	S207-I227 PolarHBondContact N-O 2.92Å; S207-I227 VanDerWaalsContact N-O 3.13Å; F208-I227 HydrophobicContact CD1-CD1 4.41Å; F208-I227 PolarHBondContact N-O 2.83Å; F208-I227 PolarHBondContact O-N 3.25Å; L224-I227 HydrophobicContact CD1-CD1 3.65Å; L224-I227 HydrophobicContact CD2-CD1 3.57Å; L224-I227 HydrophobicContact CG-CD1 3.46Å; L224-I227 VanDerWaalsContact CG-CD1 3.46Å; L225-I227 WeakPolarHBondContact O-CD1 3.39Å; L225-I227 WeakPolarHBondContact O-CG1 3.33Å; L225-I227 PolarHBondContact O-N 2.84Å; I227-I229 HydrophobicContact CG2-CD1 4.27Å; I227-I229 HydrophobicContact CG2-CG1 3.66Å; I227-V257 HydrophobicContact CG2-CG1 3.75Å; I227-K259 WeakPolarHBondContact CG1-O 3.22Å; I227-L260 HydrophobicContact CD1-CD1 3.53Å; I227-L260 HydrophobicContact CG1-CD1 4.11Å
228	S	70.4	Confident	66.3	Low	45 Å²	45	45.2 Å²	45.2	32%	0.315	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.3	161.3	-70.6	0	0	0	0	110	M205 D258	M205-S228 WeakPolarHBondContact O-CA 3.41Å; S228-D258 WeakPolarHBondContact CB-OD2 3.49Å; S228-D258 PolarHBondContact O-N 3.22Å
229	I	64.9	Low	66.7	Low	38 Å²	38	38.8 Å²	38.8	20%	0.195	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.4	176.1	-50.9	-176.9	0	0	0	109.7	M205 I227 I255 V257	M205-I229 HydrophobicContact CB-CB 4.21Å; M205-I229 WeakPolarHBondContact CB-O 3.3Å; M205-I229 HydrophobicContact CE-CD1 4.18Å; M205-I229 PolarHBondContact N-O 3.14Å; M205-I229 PolarHBondContact O-N 3Å; M205-I229 VanDerWaalsContact O-N 3.07Å; M205-I229 HydrophobicContact SD-CB 4.27Å; M205-I229 HydrophobicContact SD-CD1 4.05Å; M205-I229 HydrophobicContact SD-CG1 4.41Å; I227-I229 HydrophobicContact CG2-CD1 4.27Å; I227-I229 HydrophobicContact CG2-CG1 3.66Å; I229-I255 HydrophobicContact CG2-CG2 4.29Å; I229-V257 HydrophobicContact CG1-CG2 4.4Å; I229-V257 HydrophobicContact CG2-CG2 4.26Å
230	G	68.8	Low	66.7	Low	3 Å²	3	38.1 Å²	38.1	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.5	167.9	0	0	0	0	0	111.3	S202 I255 T256	S202-G230 CarbonylContact O-C 3.46Å; S202-G230 WeakPolarHBondContact O-CA 3.48Å; G230-I255 WeakPolarHBondContact O-CA 3.31Å; G230-T256 PolarHBondContact N-O 2.94Å; G230-T256 PolarHBondContact O-N 3.42Å; G230-T256 PolarHBondContact O-OG1 3.45Å
231	A	66.8	Low	66.9	Low	10 Å²	10	37.6 Å²	37.6	8%	0.083	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	125.5	175.8	0	0	0	0	0	112.1	V201 S202 I255 V1998	V201-A231 CarbonylContact C-O 3.4Å; V201-A231 WeakPolarHBondContact CA-O 3.46Å; S202-A231 PolarHBondContact N-O 2.81Å; S202-A231 PolarHBondContact O-N 2.91Å; A231-I255 HydrophobicContact CB-CG1 4Å; A231-V1998 HydrophobicContact CB-CG1 3.99Å
232	Y	75.6	Confident	66.7	Low	62 Å²	62	36.5 Å²	36.5	24%	0.243	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	110.3	-171.9	-54.7	-94.7	0	0	0	109.6	W186 V201 L253 S254 T256	W186-Y232 AromaticContact CD2-CD1 3.89Å; W186-Y232 HydrophobicContact CD2-CD1 3.89Å; W186-Y232 AromaticContact CE3-CD1 3.97Å; W186-Y232 HydrophobicContact CE3-CD1 3.97Å; W186-Y232 HydrophobicContact CG-CD1 4.23Å; W186-Y232 HydrophobicContact CZ3-CD1 4.42Å; V201-Y232 HydrophobicContact CG2-CD1 3.52Å; V201-Y232 HydrophobicContact CG2-CE1 3.64Å; V201-Y232 HydrophobicContact CG2-CG 4.29Å; Y232-L253 WeakPolarHBondContact O-CA 3.17Å; Y232-S254 PolarHBondContact N-O 2.91Å; Y232-S254 PolarHBondContact O-N 3.16Å; Y232-T256 HydrophobicContact CE2-CG2 4.42Å
233	L	71.1	Confident	66.5	Low	26 Å²	26	37.6 Å²	37.6	14%	0.136	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.9	-176.6	176.3	62.7	0	0	0	110.9	Y199 K200 I251 L253	Y199-L233 CarbonylContact C-O 3.5Å; Y199-L233 WeakPolarHBondContact CA-O 3.38Å; K200-L233 PolarHBondContact N-O 2.97Å; K200-L233 PolarHBondContact O-N 2.97Å; L233-I251 HydrophobicContact CD1-CG2 4.15Å; L233-L253 HydrophobicContact CB-CD1 4.18Å; L233-L253 HydrophobicContact CD1-CB 4.29Å; L233-L253 HydrophobicContact CD1-CD1 4.31Å
234	K	73.7	Confident	66.5	Low	45 Å²	45	38.8 Å²	38.8	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.6	168.7	174.4	179	-179.5	137.8	0	108.9	W186 I197 I198 Y199 R252	W186-K234 HydrophobicContact CH2-CB 4.14Å; I197-K234 HydrophobicContact CG2-CD 4.34Å; I197-K234 HydrophobicContact CG2-CG 3.66Å; I198-K234 WeakPolarHBondContact O-CA 3.47Å; Y199-K234 HydrophobicContact CD1-CB 4.01Å; Y199-K234 HydrophobicContact CD1-CD 4.36Å; Y199-K234 HydrophobicContact CD1-CG 4.05Å; Y199-K234 HydrophobicContact CE1-CB 4.1Å; Y199-K234 HydrophobicContact CE1-CD 3.59Å; Y199-K234 HydrophobicContact CE1-CG 3.7Å; Y199-K234 PolarHBondContact OH-NZ 2.83Å; K234-R252 HydrophobicContact CB-CB 4.28Å; K234-R252 PolarHBondContact N-O 2.61Å; K234-R252 PolarHBondContact O-N 2.75Å
235	L	69	Low	66.3	Low	57 Å²	57	43.7 Å²	43.7	30%	0.298	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.9	-176.2	-169.6	95.5	0	0	0	110	I197 I198 P237 I251	I197-L235 CarbonylContact C-O 3.42Å; I197-L235 WeakPolarHBondContact CA-O 3.44Å; I198-L235 HydrophobicContact CB-CB 4.38Å; I198-L235 HydrophobicContact CD1-CD2 4.3Å; I198-L235 PolarHBondContact N-O 3.14Å; I198-L235 PolarHBondContact O-N 2.87Å; L235-P237 WeakPolarHBondContact O-CD 3.48Å; L235-I251 HydrophobicContact CD1-CG1 4.11Å
236	N	69.5	Low	66	Low	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.254	C	S	.	.			trans	-114.9	87.6	176.6	-176.4	9.8	0	0	0	109.9	K196 I197 K238 D242 T248 K250	K196-N236 PolarHBondContact O-OD1 3.39Å; I197-N236 HydrophobicContact CG1-CB 4.3Å; N236-K238 VanDerWaalsContact C-N 3.34Å; N236-K238 PolarHBondContact O-N 3.09Å; N236-D242 PolarHBondContact ND2-OD2 3.46Å; N236-T248 HydrophobicContact CB-CG2 4.5Å; N236-T248 PolarHBondContact ND2-O 2.93Å; N236-K250 PolarHBondContact N-O 2.85Å; N236-K250 WeakPolarHBondContact O-CG 3.22Å
237	P	61.8	Low	65.5	Low	62 Å²	62	48.7 Å²	48.7	40%	0.403	27%	0.269	S	S	.	.	S	Bend	trans	-64.5	-28.5	-172.4	21.9	-34	0	0	0	115.6	K196 L235	K196-P237 WeakPolarHBondContact O-CD 3.34Å; L235-P237 WeakPolarHBondContact O-CD 3.48Å
238	K	62.2	Low	65.1	Low	47 Å²	47	49.4 Å²	49.4	20%	0.204	27%	0.274	C	S	.	.			trans	-133.8	75.2	-179.8	-67.7	-172	-175.8	178.8	0	111.5	N236 E240 T241 D444	N236-K238 VanDerWaalsContact C-N 3.34Å; N236-K238 PolarHBondContact O-N 3.09Å; K238-E240 PolarHBondContact O-N 3.22Å; K238-E240 VanDerWaalsContact O-N 3.12Å; K238-T241 HydrophobicContact CD-CG2 4.49Å; K238-T241 PolarHBondContact O-N 2.89Å; K238-T241 VanDerWaalsContact O-N 3.1Å; K238-T241 PolarHBondContact O-OG1 3.21Å; K238-D444 WeakPolarHBondContact CD-OD2 3.13Å; K238-D444 WeakPolarHBondContact CE-OD2 3.2Å; K238-D444 PolarHBondContact NZ-O 3.49Å; K238-D444 IonicContact NZ-OD1 3.29Å; K238-D444 PolarHBondContact NZ-OD1 2.68Å; K238-D444 IonicContact NZ-OD2 2.7Å; K238-D444 PolarHBondContact NZ-OD2 3.04Å
239	P	63.3	Low	64.7	Low	1 Å²	1	48 Å²	48	1%	0.006	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.3	177.4	27.2	-36.7	0	0	0	113.8	T241 F246 Y454	P239-T241 VanDerWaalsContact C-N 3.34Å; P239-F246 HydrophobicContact CB-CD1 4Å; P239-F246 HydrophobicContact CB-CE1 4.4Å; P239-F246 HydrophobicContact CG-CD1 4.14Å; P239-F246 HydrophobicContact CG-CE1 4.25Å; P239-Y454 HydrophobicContact CG-CE1 4.15Å
240	E	59.1	Low	64.6	Low	65 Å²	65	49.4 Å²	49.4	30%	0.304	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25	173.3	54.1	-97.4	-121.3	0	0	114.4	K238 F246 T452	K238-E240 PolarHBondContact O-N 3.22Å; K238-E240 VanDerWaalsContact O-N 3.12Å; E240-F246 HydrophobicContact CB-CE1 4.29Å; E240-F246 HydrophobicContact CB-CZ 4.12Å; E240-T452 WeakPolarHBondContact OE1-CG2 3.17Å; E240-T452 PolarHBondContact OE1-OG1 2.63Å
241	T	62.2	Low	64.3	Low	54 Å²	54	51.7 Å²	51.7	33%	0.331	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-0.7	-178	64	0	0	0	0	114.1	K196 K238 P239	K196-T241 WeakPolarHBondContact CD-O 3.43Å; K196-T241 WeakPolarHBondContact CE-O 3.31Å; K196-T241 PolarHBondContact NZ-O 3.26Å; K238-T241 HydrophobicContact CD-CG2 4.49Å; K238-T241 PolarHBondContact O-N 2.89Å; K238-T241 VanDerWaalsContact O-N 3.1Å; K238-T241 PolarHBondContact O-OG1 3.21Å; P239-T241 VanDerWaalsContact C-N 3.34Å
242	D	61	Low	64.3	Low	23 Å²	23	56.9 Å²	56.9	12%	0.123	30%	0.296	C	S	.	.	S	Bend	trans	-82	-13.6	-170.6	78.8	8.4	0	0	0	115.4	K196 N236 T244	K196-D242 HydrophobicContact CB-CB 4.49Å; K196-D242 HydrophobicContact CD-CB 4.25Å; N236-D242 PolarHBondContact ND2-OD2 3.46Å; D242-T244 PolarHBondContact O-N 3.25Å; D242-T244 WeakPolarHBondContact OD1-CA 3.47Å; D242-T244 VanDerWaalsContact OD1-CB 3.27Å; D242-T244 WeakPolarHBondContact OD1-CB 3.3Å; D242-T244 WeakPolarHBondContact OD1-CG2 3.43Å; D242-T244 PolarHBondContact OD1-N 2.84Å; D242-T244 PolarHBondContact OD1-OG1 2.96Å; D242-T244 PolarHBondContact OD2-OG1 3.19Å
243	G	61.8	Low	63.8	Low	76 Å²	76	54.1 Å²	54.1	78%	0.784	29%	0.286	S	S	*	.	S	Bend	trans	79.6	-4.7	-178.3	0	0	0	0	0	114.5	N245	G243-N245 VanDerWaalsContact C-N 3.27Å
244	T	63.8	Low	63.3	Low	46 Å²	46	54.4 Å²	54.4	28%	0.282	29%	0.29	S	S	.	.	S	Bend	trans	-82.6	-6.5	174.3	78.7	0	0	0	0	112.7	D242 K247 T248	D242-T244 PolarHBondContact O-N 3.25Å; D242-T244 WeakPolarHBondContact OD1-CA 3.47Å; D242-T244 VanDerWaalsContact OD1-CB 3.27Å; D242-T244 WeakPolarHBondContact OD1-CB 3.3Å; D242-T244 WeakPolarHBondContact OD1-CG2 3.43Å; D242-T244 PolarHBondContact OD1-N 2.84Å; D242-T244 PolarHBondContact OD1-OG1 2.96Å; D242-T244 PolarHBondContact OD2-OG1 3.19Å; T244-K247 VanDerWaalsContact O-CB 3.28Å; T244-K247 WeakPolarHBondContact O-CB 3.47Å; T244-K247 WeakPolarHBondContact O-CD 3.41Å; T244-K247 WeakPolarHBondContact O-CG 3.46Å; T244-K247 PolarHBondContact O-N 3.22Å; T244-T248 WeakPolarHBondContact CB-OG1 3.46Å; T244-T248 WeakPolarHBondContact CG2-OG1 3.37Å; T244-T248 PolarHBondContact OG1-N 3.38Å; T244-T248 PolarHBondContact OG1-OG1 3.04Å
245	N	60.4	Low	62.6	Low	127 Å²	127	52.6 Å²	52.6	68%	0.679	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	60.3	178.7	-165.1	21.1	0	0	0	111.4	G243 K247	G243-N245 VanDerWaalsContact C-N 3.27Å; N245-K247 PolarHBondContact O-N 2.9Å
246	F	60.8	Low	62.2	Low	46 Å²	46	52 Å²	52	20%	0.202	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	2.4	-178.6	-54.2	-77.8	0	0	0	117.3	P239 E240 T248 Y454 P455 V458	P239-F246 HydrophobicContact CB-CD1 4Å; P239-F246 HydrophobicContact CB-CE1 4.4Å; P239-F246 HydrophobicContact CG-CD1 4.14Å; P239-F246 HydrophobicContact CG-CE1 4.25Å; E240-F246 HydrophobicContact CB-CE1 4.29Å; E240-F246 HydrophobicContact CB-CZ 4.12Å; F246-T248 PolarHBondContact O-N 3.38Å; F246-Y454 HydrophobicContact CE1-CD1 4.08Å; F246-Y454 HydrophobicContact CE1-CE1 4.48Å; F246-P455 HydrophobicContact CD2-CG 3.92Å; F246-P455 HydrophobicContact CE2-CG 3.95Å; F246-P455 HydrophobicContact CG-CG 4.37Å; F246-P455 HydrophobicContact CZ-CG 4.42Å; F246-V458 HydrophobicContact CB-CG2 4.06Å; F246-V458 HydrophobicContact CD1-CG2 3.71Å; F246-V458 HydrophobicContact CE1-CG2 4.46Å; F246-V458 HydrophobicContact CG-CG2 4.02Å
247	K	62.3	Low	61.9	Low	183 Å²	183	52.8 Å²	52.8	80%	0.796	29%	0.286	S	S	*	.			trans	-63.7	-21.3	174.7	-66.7	174.2	-176	177.8	0	113.7	T244 N245	T244-K247 VanDerWaalsContact O-CB 3.28Å; T244-K247 WeakPolarHBondContact O-CB 3.47Å; T244-K247 WeakPolarHBondContact O-CD 3.41Å; T244-K247 WeakPolarHBondContact O-CG 3.46Å; T244-K247 PolarHBondContact O-N 3.22Å; N245-K247 PolarHBondContact O-N 2.9Å
248	T	58.3	Low	61.9	Low	22 Å²	22	54.5 Å²	54.5	14%	0.135	29%	0.291	C	S	.	.	S	Bend	trans	-97.3	120.2	178.7	-50.3	0	0	0	0	111.1	I197 N236 T244 F246	I197-T248 HydrophobicContact CD1-CG2 4.11Å; N236-T248 HydrophobicContact CB-CG2 4.5Å; N236-T248 PolarHBondContact ND2-O 2.93Å; T244-T248 WeakPolarHBondContact CB-OG1 3.46Å; T244-T248 WeakPolarHBondContact CG2-OG1 3.37Å; T244-T248 PolarHBondContact OG1-N 3.38Å; T244-T248 PolarHBondContact OG1-OG1 3.04Å; F246-T248 PolarHBondContact O-N 3.38Å
249	P	63	Low	61.8	Low	15 Å²	15	58 Å²	58	10%	0.097	31%	0.307	C	S	.	.			trans	-64.4	145.5	-177.6	27.7	-37	0	0	0	112.5	I251 R252 T459 I461	P249-I251 PolarHBondContact O-N 2.96Å; P249-R252 HydrophobicContact CG-CB 4.13Å; P249-T459 VanDerWaalsContact CA-O 3.23Å; P249-T459 WeakPolarHBondContact CA-O 3.35Å; P249-T459 WeakPolarHBondContact CB-O 3.35Å; P249-I461 HydrophobicContact CB-CD1 4.16Å; P249-I461 HydrophobicContact CB-CG1 3.88Å; P249-I461 HydrophobicContact CG-CD1 4Å; P249-I461 HydrophobicContact CG-CG1 4.12Å
250	K	61.8	Low	61.6	Low	68 Å²	68	59.8 Å²	59.8	30%	0.296	32%	0.316	S	S	.	.	S	Bend	trans	-65.7	-36.6	-175.8	177.2	164.9	-166.9	167.7	0	112.8	N236 Y454 T459 N460	N236-K250 PolarHBondContact N-O 2.85Å; N236-K250 WeakPolarHBondContact O-CG 3.22Å; K250-Y454 PolarHBondContact NZ-OH 2.15Å; K250-T459 PolarHBondContact N-O 2.8Å; K250-N460 WeakPolarHBondContact CB-OD1 3.18Å
251	I	63.4	Low	61.2	Low	51 Å²	51	56.9 Å²	56.9	26%	0.262	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.9	168.1	-53.1	-178	0	0	0	108	L233 L235 P249 N460 I461 F462	L233-I251 HydrophobicContact CD1-CG2 4.15Å; L235-I251 HydrophobicContact CD1-CG1 4.11Å; P249-I251 PolarHBondContact O-N 2.96Å; I251-N460 PolarHBondContact N-OD1 2.82Å; I251-I461 PolarHBondContact O-N 2.38Å; I251-F462 HydrophobicContact CG2-CE1 3.97Å; I251-F462 HydrophobicContact CG2-CZ 4.43Å
252	R	66.1	Low	60.9	Low	119 Å²	119	58.3 Å²	58.3	45%	0.449	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	114.5	164.1	-171.8	177.6	-172	178.1	3.2	109.7	K234 P249 I461	K234-R252 HydrophobicContact CB-CB 4.28Å; K234-R252 PolarHBondContact N-O 2.61Å; K234-R252 PolarHBondContact O-N 2.75Å; P249-R252 HydrophobicContact CG-CB 4.13Å; R252-I461 VanDerWaalsContact CA-O 3.27Å; R252-I461 WeakPolarHBondContact CA-O 3.19Å
253	L	65	Low	60.9	Low	4 Å²	4	61.4 Å²	61.4	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121	177.3	175.1	63.7	0	0	0	108.6	Y232 L233 I255 I461 F462 V463 V1995 V1998	Y232-L253 WeakPolarHBondContact O-CA 3.17Å; L233-L253 HydrophobicContact CB-CD1 4.18Å; L233-L253 HydrophobicContact CD1-CB 4.29Å; L233-L253 HydrophobicContact CD1-CD1 4.31Å; L253-I255 HydrophobicContact CD1-CD1 4.21Å; L253-I255 HydrophobicContact CD1-CG1 4.16Å; L253-I255 HydrophobicContact CD2-CD1 3.87Å; L253-I255 HydrophobicContact CG-CD1 3.96Å; L253-I255 HydrophobicContact CG-CG1 4.23Å; L253-I461 PolarHBondContact N-O 3.04Å; L253-F462 HydrophobicContact CB-CD1 4.14Å; L253-V463 PolarHBondContact O-N 3.49Å; L253-V1995 HydrophobicContact CD2-CG2 4.01Å; L253-V1998 HydrophobicContact CD1-CG1 4.34Å
254	S	60.1	Low	60.9	Low	31 Å²	31	61.6 Å²	61.6	22%	0.217	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.5	171.1	-59.3	0	0	0	0	109.4	Y232 V463	Y232-S254 PolarHBondContact N-O 2.91Å; Y232-S254 PolarHBondContact O-N 3.16Å; S254-V463 CarbonylContact C-O 3.56Å; S254-V463 VanDerWaalsContact CA-O 3.3Å; S254-V463 WeakPolarHBondContact CA-O 3.07Å
255	I	60.7	Low	61	Low	7 Å²	7	64.7 Å²	64.7	4%	0.036	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.1	176.2	-71	156.6	0	0	0	109.3	I229 G230 A231 L253 V257 V463 F464 S465 V1994 V1998	I229-I255 HydrophobicContact CG2-CG2 4.29Å; G230-I255 WeakPolarHBondContact O-CA 3.31Å; A231-I255 HydrophobicContact CB-CG1 4Å; L253-I255 HydrophobicContact CD1-CD1 4.21Å; L253-I255 HydrophobicContact CD1-CG1 4.16Å; L253-I255 HydrophobicContact CD2-CD1 3.87Å; L253-I255 HydrophobicContact CG-CD1 3.96Å; L253-I255 HydrophobicContact CG-CG1 4.23Å; I255-V257 HydrophobicContact CG2-CG2 4.38Å; I255-V463 PolarHBondContact N-O 3.22Å; I255-F464 HydrophobicContact CB-CD2 4.17Å; I255-F464 HydrophobicContact CG2-CD2 4.04Å; I255-F464 HydrophobicContact CG2-CE2 4.09Å; I255-S465 PolarHBondContact O-N 2.95Å; I255-V1994 HydrophobicContact CD1-CG1 3.28Å; I255-V1998 HydrophobicContact CD1-CB 4.2Å; I255-V1998 HydrophobicContact CD1-CG2 3.59Å; I255-V1998 HydrophobicContact CG1-CG2 4.3Å
256	T	59.5	Low	61.4	Low	45 Å²	45	63.3 Å²	63.3	28%	0.276	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.8	-178.9	53.2	0	0	0	0	109.6	G230 Y232 S465	G230-T256 PolarHBondContact N-O 2.94Å; G230-T256 PolarHBondContact O-N 3.42Å; G230-T256 PolarHBondContact O-OG1 3.45Å; Y232-T256 HydrophobicContact CE2-CG2 4.42Å; T256-S465 WeakPolarHBondContact CA-O 3.29Å
257	V	62.5	Low	62	Low	16 Å²	16	65.5 Å²	65.5	10%	0.097	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	109.3	176.8	-179.8	0	0	0	0	108.7	I227 I229 I255 K259 L260 S465 L466 V467	I227-V257 HydrophobicContact CG2-CG1 3.75Å; I229-V257 HydrophobicContact CG1-CG2 4.4Å; I229-V257 HydrophobicContact CG2-CG2 4.26Å; I255-V257 HydrophobicContact CG2-CG2 4.38Å; V257-K259 PolarHBondContact O-N 3.06Å; V257-L260 HydrophobicContact CG1-CB 4.37Å; V257-S465 PolarHBondContact N-O 3.27Å; V257-L466 HydrophobicContact CB-CD1 3.69Å; V257-L466 HydrophobicContact CG1-CD1 3.7Å; V257-L466 HydrophobicContact CG2-CD1 4.34Å; V257-V467 PolarHBondContact O-N 2.84Å
258	D	62.4	Low	62.2	Low	98 Å²	98	57 Å²	57	52%	0.524	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	-46	-166.8	-64.6	-6.5	0	0	0	112.7	S228 V467	S228-D258 WeakPolarHBondContact CB-OD2 3.49Å; S228-D258 PolarHBondContact O-N 3.22Å; D258-V467 WeakPolarHBondContact O-CB 3.35Å
259	K	61.4	Low	62.4	Low	122 Å²	122	58.8 Å²	58.8	53%	0.53	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	130.2	176.4	-71.3	-175.2	158.6	-140.1	0	109.9	I227 V257 V467 E469	I227-K259 WeakPolarHBondContact CG1-O 3.22Å; V257-K259 PolarHBondContact O-N 3.06Å; K259-V467 CarbonylContact C-O 3.44Å; K259-E469 HydrophobicContact CB-CG 4.49Å; K259-E469 WeakPolarHBondContact CD-OE1 3.49Å; K259-E469 WeakPolarHBondContact CE-OE1 3.26Å; K259-E469 IonicContact NZ-OE1 3.55Å; K259-E469 PolarHBondContact NZ-OE1 3.26Å
260	L	58.2	Low	62.7	Low	38 Å²	38	59.6 Å²	59.6	20%	0.199	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	102	171.1	177.2	57.8	0	0	0	110.6	L224 I227 V257 L466 V467 L468 E469	L224-L260 HydrophobicContact CD1-CD1 3.72Å; I227-L260 HydrophobicContact CD1-CD1 3.53Å; I227-L260 HydrophobicContact CG1-CD1 4.11Å; V257-L260 HydrophobicContact CG1-CB 4.37Å; L260-L466 HydrophobicContact CB-CD1 3.93Å; L260-L466 HydrophobicContact CD2-CD1 4.09Å; L260-V467 PolarHBondContact N-O 3.1Å; L260-L468 HydrophobicContact CD2-CD1 4.07Å; L260-L468 HydrophobicContact CD2-CG 4.4Å; L260-E469 PolarHBondContact O-N 2.88Å
261	G	50.9	Low	63	Low	4 Å²	4	56.5 Å²	56.5	4%	0.041	27%	0.274	C	S	.	.			trans	-105.8	133.9	174.9	0	0	0	0	0	112.5	L225	L225-G261 PolarHBondContact N-O 3.25Å; L225-G261 VanDerWaalsContact N-O 3.07Å
262	L	56.3	Low	63.1	Low	83 Å²	83	56.1 Å²	56.1	44%	0.435	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-127	114.4	-179.4	-77.6	167.1	0	0	0	109.6	L224	L224-L262 HydrophobicContact CD1-CD2 3.47Å; L224-L262 VanDerWaalsContact CD1-CD2 3.47Å; L224-L262 HydrophobicContact CD1-CG 4.22Å
263	N	60.9	Low	63.1	Low	89 Å²	89	51.5 Å²	51.5	48%	0.476	26%	0.256	S	S	.	.			trans	-110.7	109.9	177.5	-72.9	-9.1	0	0	0	108.4	V223 Q268	V223-N263 VanDerWaalsContact CA-O 3.29Å; V223-N263 WeakPolarHBondContact CA-O 3.39Å; V223-N263 PolarHBondContact O-N 3.33Å; N263-Q268 PolarHBondContact O-OE1 3.31Å
264	I	60.3	Low	63.2	Low	79 Å²	79	53.3 Å²	53.3	41%	0.405	27%	0.265	S	S	.	.			trans	-118.2	105.5	179.3	-56.8	178.6	0	0	0	108.9	V223	V223-I264 HydrophobicContact CG1-CG1 4.33Å
265	E	66.3	Low	63.7	Low	112 Å²	112	53.1 Å²	53.1	52%	0.523	26%	0.26	S	S	.	.			trans	-72.1	157.7	171.6	-66.2	-163.8	173.1	0	0	112.4	F267 Q268 Y269	E265-F267 VanDerWaalsContact C-N 3.28Å; E265-F267 PolarHBondContact O-N 3.07Å; E265-Q268 HydrophobicContact CB-CB 4.32Å; E265-Q268 HydrophobicContact CB-CG 4.12Å; E265-Q268 PolarHBondContact O-N 3.16Å; E265-Q268 VanDerWaalsContact O-N 3.14Å; E265-Y269 PolarHBondContact O-N 2.85Å
266	K	69.1	Low	63.8	Low	98 Å²	98	55.2 Å²	55.2	43%	0.426	27%	0.271	S	S	.	.	H	α-helix	trans	-52	-43.6	174.5	-178.6	-176.1	173.8	-170.4	0	112.5	Q270	K266-Q270 VanDerWaalsContact O-CG 3.27Å; K266-Q270 WeakPolarHBondContact O-CG 3.27Å; K266-Q270 PolarHBondContact O-N 3.14Å; K266-Q270 VanDerWaalsContact O-N 3.09Å
267	F	73.3	Confident	63.9	Low	92 Å²	92	54.6 Å²	54.6	40%	0.404	27%	0.265	S	S	.	.	H	α-helix	trans	-75.8	-33.6	180	-65.9	-50.3	0	0	0	112.9	R166 F214 E265 Q270 G271	R166-F267 VanDerWaalsContact NH1-CE1 3.3Å; F214-F267 HydrophobicContact CE2-CB 4.29Å; F214-F267 WeakPolarHBondContact CE2-O 3.47Å; F214-F267 WeakPolarHBondContact CZ-O 3.39Å; E265-F267 VanDerWaalsContact C-N 3.28Å; E265-F267 PolarHBondContact O-N 3.07Å; F267-Q270 PolarHBondContact O-N 2.94Å; F267-G271 PolarHBondContact O-N 3.31Å
268	Q	67.5	Low	64.1	Low	3 Å²	3	54.2 Å²	54.2	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-47.2	171.3	-68.5	174.7	-32.5	0	0	111.2	W212 F214 D221 V223 N263 E265 Q270 G271 I272	W212-Q268 PolarHBondContact O-NE2 3.44Å; F214-Q268 HydrophobicContact CE2-CB 4.41Å; F214-Q268 HydrophobicContact CE2-CG 3.95Å; D221-Q268 PolarHBondContact O-NE2 3.35Å; D221-Q268 VanDerWaalsContact O-NE2 3.12Å; V223-Q268 HydrophobicContact CG2-CG 4.45Å; N263-Q268 PolarHBondContact O-OE1 3.31Å; E265-Q268 HydrophobicContact CB-CB 4.32Å; E265-Q268 HydrophobicContact CB-CG 4.12Å; E265-Q268 PolarHBondContact O-N 3.16Å; E265-Q268 VanDerWaalsContact O-N 3.14Å; Q268-Q270 VanDerWaalsContact C-N 3.34Å; Q268-Q270 PolarHBondContact O-N 3.4Å; Q268-G271 PolarHBondContact O-N 3.2Å; Q268-I272 WeakPolarHBondContact O-CB 3.49Å; Q268-I272 WeakPolarHBondContact O-CD1 3.39Å; Q268-I272 VanDerWaalsContact O-CG1 3.23Å; Q268-I272 WeakPolarHBondContact O-CG1 3.22Å; Q268-I272 PolarHBondContact O-N 3.13Å
269	Y	62.7	Low	64.1	Low	60 Å²	60	51.7 Å²	51.7	24%	0.235	25%	0.248	C	C	.	.	H	α-helix	trans	-56.2	-46.2	173.8	179.4	-106.5	0	0	0	112.1	E265 I272 L273 V569 L570	E265-Y269 PolarHBondContact O-N 2.85Å; Y269-I272 PolarHBondContact O-N 2.85Å; Y269-L273 HydrophobicContact CD1-CD1 4.09Å; Y269-L273 HydrophobicContact CE1-CD1 3.59Å; Y269-L273 HydrophobicContact CE2-CD1 4.42Å; Y269-L273 WeakPolarHBondContact O-CG 3.4Å; Y269-L273 PolarHBondContact O-N 2.85Å; Y269-V569 WeakPolarHBondContact CD1-O 3.44Å; Y269-L570 HydrophobicContact CD2-CD2 4.31Å; Y269-L570 WeakPolarHBondContact CE1-O 3.23Å; Y269-L570 HydrophobicContact CE2-CD2 4.07Å; Y269-L570 PolarHBondContact OH-O 3.39Å
270	Q	69.1	Low	63.9	Low	33 Å²	33	48.6 Å²	48.6	15%	0.154	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-41.8	177.9	-70.4	-179.8	-18.3	0	0	112.6	K266 F267 Q268 L273 E274 R571 P573	K266-Q270 VanDerWaalsContact O-CG 3.27Å; K266-Q270 WeakPolarHBondContact O-CG 3.27Å; K266-Q270 PolarHBondContact O-N 3.14Å; K266-Q270 VanDerWaalsContact O-N 3.09Å; F267-Q270 PolarHBondContact O-N 2.94Å; Q268-Q270 VanDerWaalsContact C-N 3.34Å; Q268-Q270 PolarHBondContact O-N 3.4Å; Q270-L273 WeakPolarHBondContact O-CB 3.47Å; Q270-L273 PolarHBondContact O-N 2.86Å; Q270-E274 PolarHBondContact O-N 3.03Å; Q270-R571 PolarHBondContact NE2-O 2.91Å; Q270-R571 VanDerWaalsContact NE2-O 3.12Å; Q270-P573 HydrophobicContact CB-CB 4.34Å; Q270-P573 HydrophobicContact CB-CG 4.11Å; Q270-P573 HydrophobicContact CG-CB 4.21Å; Q270-P573 HydrophobicContact CG-CG 4.23Å
271	G	68.4	Low	64.1	Low	3 Å²	3	51.2 Å²	51.2	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-69.2	-32.5	176.9	0	0	0	0	0	114.2	F267 Q268 L273 E274 F275	F267-G271 PolarHBondContact O-N 3.31Å; Q268-G271 PolarHBondContact O-N 3.2Å; G271-L273 VanDerWaalsContact C-N 3.32Å; G271-E274 PolarHBondContact O-N 3.31Å; G271-F275 VanDerWaalsContact O-CB 3.29Å; G271-F275 WeakPolarHBondContact O-CB 3.28Å; G271-F275 PolarHBondContact O-N 2.62Å
272	I	65.4	Low	64.7	Low	43 Å²	43	53.4 Å²	53.4	22%	0.221	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-43.9	170.4	-71.5	161.3	0	0	0	110.1	W212 Q268 Y269 F275 L276	W212-I272 HydrophobicContact CD2-CG1 4.18Å; W212-I272 HydrophobicContact CE3-CD1 4.46Å; W212-I272 HydrophobicContact CE3-CG1 3.75Å; W212-I272 HydrophobicContact CH2-CB 4.39Å; W212-I272 HydrophobicContact CH2-CG1 3.83Å; W212-I272 HydrophobicContact CZ2-CG1 4.21Å; W212-I272 HydrophobicContact CZ3-CG1 3.58Å; Q268-I272 WeakPolarHBondContact O-CB 3.49Å; Q268-I272 WeakPolarHBondContact O-CD1 3.39Å; Q268-I272 VanDerWaalsContact O-CG1 3.23Å; Q268-I272 WeakPolarHBondContact O-CG1 3.22Å; Q268-I272 PolarHBondContact O-N 3.13Å; Y269-I272 PolarHBondContact O-N 2.85Å; I272-F275 PolarHBondContact O-N 3.13Å; I272-L276 HydrophobicContact CG2-CD1 4.17Å; I272-L276 VanDerWaalsContact O-CG 3.29Å; I272-L276 WeakPolarHBondContact O-CG 3.27Å; I272-L276 PolarHBondContact O-N 2.86Å
273	L	65	Low	64.7	Low	22 Å²	22	52.8 Å²	52.8	12%	0.115	26%	0.262	C	S	.	.	H	α-helix	trans	-66	-42.5	177.1	-68.1	175.2	0	0	0	112.4	Y269 Q270 G271 L276 E277 P572 V576 L578	Y269-L273 HydrophobicContact CD1-CD1 4.09Å; Y269-L273 HydrophobicContact CE1-CD1 3.59Å; Y269-L273 HydrophobicContact CE2-CD1 4.42Å; Y269-L273 WeakPolarHBondContact O-CG 3.4Å; Y269-L273 PolarHBondContact O-N 2.85Å; Q270-L273 WeakPolarHBondContact O-CB 3.47Å; Q270-L273 PolarHBondContact O-N 2.86Å; G271-L273 VanDerWaalsContact C-N 3.32Å; L273-L276 PolarHBondContact O-N 2.67Å; L273-E277 PolarHBondContact O-N 3.18Å; L273-E277 VanDerWaalsContact O-N 3.13Å; L273-P572 HydrophobicContact CD1-CB 3.71Å; L273-V576 HydrophobicContact CB-CG1 4.24Å; L273-V576 HydrophobicContact CB-CG2 4.2Å; L273-L578 HydrophobicContact CD2-CD1 3.91Å
274	E	67.3	Low	64.7	Low	42 Å²	42	52 Å²	52	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-37.4	176.3	-73.2	-176.2	157.6	0	0	112.7	N163 Q270 G271 A278 P573 S575 V576	N163-E274 PolarHBondContact ND2-OE2 2.94Å; Q270-E274 PolarHBondContact O-N 3.03Å; G271-E274 PolarHBondContact O-N 3.31Å; E274-A278 WeakPolarHBondContact O-CB 3.48Å; E274-A278 PolarHBondContact O-N 2.85Å; E274-P573 HydrophobicContact CG-CG 4.08Å; E274-S575 WeakPolarHBondContact OE1-CB 3.41Å; E274-S575 PolarHBondContact OE1-OG 3.13Å; E274-V576 HydrophobicContact CB-CG2 4.24Å; E274-V576 HydrophobicContact CG-CG2 3.53Å
275	F	70.8	Confident	64.8	Low	26 Å²	26	52 Å²	52	11%	0.114	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-43.3	173.8	172.8	-112.4	0	0	0	112.2	Y157 F168 W212 G271 I272 A278 Q279	Y157-F275 AromaticContact CE1-CE2 3.71Å; Y157-F275 HydrophobicContact CE1-CE2 3.71Å; Y157-F275 HydrophobicContact CE1-CZ 4.3Å; F168-F275 HydrophobicContact CE2-CD2 4.48Å; F168-F275 HydrophobicContact CZ-CB 4.1Å; F168-F275 AromaticContact CZ-CD2 3.66Å; F168-F275 HydrophobicContact CZ-CD2 3.66Å; F168-F275 HydrophobicContact CZ-CE2 4.38Å; F168-F275 HydrophobicContact CZ-CG 4.11Å; W212-F275 HydrophobicContact CH2-CB 3.78Å; W212-F275 AromaticContact CH2-CD1 3.76Å; W212-F275 HydrophobicContact CH2-CD1 3.76Å; W212-F275 AromaticContact CH2-CG 3.89Å; W212-F275 HydrophobicContact CH2-CG 3.89Å; W212-F275 HydrophobicContact CZ2-CB 3.95Å; W212-F275 HydrophobicContact CZ2-CG 4.4Å; G271-F275 VanDerWaalsContact O-CB 3.29Å; G271-F275 WeakPolarHBondContact O-CB 3.28Å; G271-F275 PolarHBondContact O-N 2.62Å; I272-F275 PolarHBondContact O-N 3.13Å; F275-A278 PolarHBondContact O-N 3.23Å; F275-Q279 HydrophobicContact CD1-CG 4.49Å; F275-Q279 HydrophobicContact CD2-CG 4.16Å; F275-Q279 HydrophobicContact CE1-CG 4.13Å; F275-Q279 HydrophobicContact CE2-CG 3.79Å; F275-Q279 HydrophobicContact CZ-CG 3.78Å; F275-Q279 WeakPolarHBondContact O-CG 3.25Å; F275-Q279 PolarHBondContact O-N 2.79Å
276	L	62.6	Low	64.6	Low	52 Å²	52	50 Å²	50	27%	0.272	26%	0.26	S	S	.	.	H	α-helix	trans	-62.5	-42.8	177.5	-72.3	168.7	0	0	0	112	I272 L273 Q279 E280 L578	I272-L276 HydrophobicContact CG2-CD1 4.17Å; I272-L276 VanDerWaalsContact O-CG 3.29Å; I272-L276 WeakPolarHBondContact O-CG 3.27Å; I272-L276 PolarHBondContact O-N 2.86Å; L273-L276 PolarHBondContact O-N 2.67Å; L276-Q279 PolarHBondContact O-N 2.84Å; L276-E280 PolarHBondContact O-N 2.8Å; L276-L578 HydrophobicContact CB-CD1 4.19Å; L276-L578 HydrophobicContact CB-CD2 4.46Å
277	E	62.5	Low	64.3	Low	32 Å²	32	52.1 Å²	52.1	15%	0.15	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-45.5	172.2	175	78	-133	0	0	111.2	L273 Q279 E280 Q281 V576 R577	L273-E277 PolarHBondContact O-N 3.18Å; L273-E277 VanDerWaalsContact O-N 3.13Å; E277-Q279 PolarHBondContact O-N 2.91Å; E277-E280 PolarHBondContact O-N 3.08Å; E277-Q281 WeakPolarHBondContact O-CG 2.92Å; E277-Q281 PolarHBondContact O-N 3.37Å; E277-Q281 PolarHBondContact OE1-NE2 2.69Å; E277-V576 HydrophobicContact CB-CG1 4.26Å; E277-V576 HydrophobicContact CB-CG2 4.31Å; E277-R577 PolarHBondContact OE2-N 3.36Å
278	A	65.5	Low	64.1	Low	7 Å²	7	50.3 Å²	50.3	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-38.1	178.5	0	0	0	0	0	113.4	S162 E274 F275 Q281 F282	S162-A278 VanDerWaalsContact CB-CB 3.43Å; S162-A278 WeakPolarHBondContact OG-CB 3.49Å; E274-A278 WeakPolarHBondContact O-CB 3.48Å; E274-A278 PolarHBondContact O-N 2.85Å; F275-A278 PolarHBondContact O-N 3.23Å; A278-Q281 CarbonylContact O-C 3.55Å; A278-Q281 PolarHBondContact O-N 3.32Å; A278-F282 HydrophobicContact CB-CE2 4.17Å; A278-F282 WeakPolarHBondContact O-CD2 3.27Å; A278-F282 VanDerWaalsContact O-CG 3.29Å; A278-F282 WeakPolarHBondContact O-CG 3.07Å; A278-F282 PolarHBondContact O-N 2.82Å
279	Q	62.8	Low	64.1	Low	46 Å²	46	54.5 Å²	54.5	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-41.4	173.4	-69.2	-58.4	-53	0	0	111.9	P54 F275 L276 E277 Q281 F282 A283	P54-Q279 VanDerWaalsContact CG-OE1 3.27Å; F275-Q279 HydrophobicContact CD1-CG 4.49Å; F275-Q279 HydrophobicContact CD2-CG 4.16Å; F275-Q279 HydrophobicContact CE1-CG 4.13Å; F275-Q279 HydrophobicContact CE2-CG 3.79Å; F275-Q279 HydrophobicContact CZ-CG 3.78Å; F275-Q279 WeakPolarHBondContact O-CG 3.25Å; F275-Q279 PolarHBondContact O-N 2.79Å; L276-Q279 PolarHBondContact O-N 2.84Å; E277-Q279 PolarHBondContact O-N 2.91Å; Q279-Q281 VanDerWaalsContact C-N 3.34Å; Q279-Q281 PolarHBondContact O-N 3.11Å; Q279-F282 PolarHBondContact O-N 3.3Å; Q279-A283 PolarHBondContact O-N 2.81Å
280	E	57.5	Low	64.6	Low	57 Å²	57	57.1 Å²	57.1	27%	0.266	29%	0.289	S	S	.	.	H	α-helix	trans	-61.1	-43.6	173.2	-166.9	-176	133.5	0	0	111.1	L276 E277 F282 A283 L284 Q580	L276-E280 PolarHBondContact O-N 2.8Å; E277-E280 PolarHBondContact O-N 3.08Å; E280-F282 PolarHBondContact O-N 2.6Å; E280-A283 PolarHBondContact O-N 3.29Å; E280-L284 HydrophobicContact CG-CD1 4.18Å; E280-L284 WeakPolarHBondContact O-CB 3.31Å; E280-L284 WeakPolarHBondContact O-CG 3.29Å; E280-L284 PolarHBondContact O-N 2.7Å; E280-Q580 PolarHBondContact OE1-NE2 3.2Å; E280-Q580 PolarHBondContact OE2-NE2 2.84Å
281	Q	60.8	Low	64.8	Low	93 Å²	93	58.6 Å²	58.6	44%	0.435	29%	0.294	S	S	.	.	H	α-helix	trans	-65.2	-37	176.9	-68.6	-178.1	27.3	0	0	113	E277 A278 Q279 L284 N285	E277-Q281 WeakPolarHBondContact O-CG 2.92Å; E277-Q281 PolarHBondContact O-N 3.37Å; E277-Q281 PolarHBondContact OE1-NE2 2.69Å; A278-Q281 CarbonylContact O-C 3.55Å; A278-Q281 PolarHBondContact O-N 3.32Å; Q279-Q281 VanDerWaalsContact C-N 3.34Å; Q279-Q281 PolarHBondContact O-N 3.11Å; Q281-L284 PolarHBondContact O-N 2.94Å; Q281-N285 WeakPolarHBondContact O-CB 3.27Å; Q281-N285 PolarHBondContact O-N 2.86Å; Q281-N285 PolarHBondContact O-ND2 3.25Å
282	F	64.1	Low	64.9	Low	50 Å²	50	62.5 Å²	62.5	22%	0.219	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-43.3	174.4	-64.4	-42.1	0	0	0	111.6	A94 F161 A278 Q279 E280 L284 N285 A286	A94-F282 HydrophobicContact CB-CD1 4.23Å; A94-F282 HydrophobicContact CB-CE1 3.72Å; A94-F282 HydrophobicContact CB-CZ 4.24Å; F161-F282 HydrophobicContact CB-CZ 4.24Å; A278-F282 HydrophobicContact CB-CE2 4.17Å; A278-F282 WeakPolarHBondContact O-CD2 3.27Å; A278-F282 VanDerWaalsContact O-CG 3.29Å; A278-F282 WeakPolarHBondContact O-CG 3.07Å; A278-F282 PolarHBondContact O-N 2.82Å; Q279-F282 PolarHBondContact O-N 3.3Å; E280-F282 PolarHBondContact O-N 2.6Å; F282-L284 PolarHBondContact O-N 2.76Å; F282-N285 PolarHBondContact O-N 3.35Å; F282-A286 PolarHBondContact O-N 2.88Å; F282-A286 VanDerWaalsContact O-N 3.08Å
283	A	56.2	Low	65.1	Low	69 Å²	69	61.6 Å²	61.6	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-62.4	-41.8	175.2	0	0	0	0	0	112.6	Q279 E280	Q279-A283 PolarHBondContact O-N 2.81Å; E280-A283 PolarHBondContact O-N 3.29Å
284	L	61.5	Low	65.1	Low	73 Å²	73	63.7 Å²	63.7	38%	0.382	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-43	174.1	-77.2	166	0	0	0	112.3	E280 Q281 F282 A286 K287 Y288	E280-L284 HydrophobicContact CG-CD1 4.18Å; E280-L284 WeakPolarHBondContact O-CB 3.31Å; E280-L284 WeakPolarHBondContact O-CG 3.29Å; E280-L284 PolarHBondContact O-N 2.7Å; Q281-L284 PolarHBondContact O-N 2.94Å; F282-L284 PolarHBondContact O-N 2.76Å; L284-A286 VanDerWaalsContact C-N 3.34Å; L284-A286 PolarHBondContact O-N 3.02Å; L284-K287 PolarHBondContact O-N 2.86Å; L284-Y288 HydrophobicContact CD2-CE2 4.34Å; L284-Y288 WeakPolarHBondContact O-CD2 3.48Å
285	N	62.7	Low	64.9	Low	79 Å²	79	70.5 Å²	70.5	42%	0.422	35%	0.347	S	S	.	.	H	α-helix	trans	-62.7	-38	178.8	-89.3	-77.5	0	0	0	112.6	Q281 F282 K287 Y288 R289 R292	Q281-N285 WeakPolarHBondContact O-CB 3.27Å; Q281-N285 PolarHBondContact O-N 2.86Å; Q281-N285 PolarHBondContact O-ND2 3.25Å; F282-N285 PolarHBondContact O-N 3.35Å; N285-K287 VanDerWaalsContact C-N 3.34Å; N285-K287 PolarHBondContact O-N 3.14Å; N285-Y288 PolarHBondContact O-N 3.4Å; N285-R289 PolarHBondContact O-N 3.01Å; N285-R292 PolarHBondContact OD1-NH1 2.85Å
286	A	61.3	Low	64.6	Low	69 Å²	69	71.9 Å²	71.9	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-59.2	-44.2	176.6	0	0	0	0	0	111.9	F282 L284 Y288 R289	F282-A286 PolarHBondContact O-N 2.88Å; F282-A286 VanDerWaalsContact O-N 3.08Å; L284-A286 VanDerWaalsContact C-N 3.34Å; L284-A286 PolarHBondContact O-N 3.02Å; A286-Y288 VanDerWaalsContact C-N 3.32Å; A286-Y288 PolarHBondContact O-N 2.79Å; A286-R289 WeakPolarHBondContact O-CB 3.32Å; A286-R289 PolarHBondContact O-N 2.9Å
287	K	63.2	Low	64.7	Low	144 Å²	144	72.8 Å²	72.8	63%	0.626	36%	0.364	S	S	*	.	H	α-helix	trans	-62.6	-30.4	-176.8	-173.2	179.7	179.9	-177.6	0	114.7	L284 N285	L284-K287 PolarHBondContact O-N 2.86Å; N285-K287 VanDerWaalsContact C-N 3.34Å; N285-K287 PolarHBondContact O-N 3.14Å
288	Y	69.4	Low	64.8	Low	54 Å²	54	78.6 Å²	78.6	21%	0.212	39%	0.386	C	S	.	.	H	α-helix	trans	-104.7	3.2	-175.4	-60.9	-63.4	0	0	0	114.2	L284 N285 A286 K290 Y291 C312 T316	L284-Y288 HydrophobicContact CD2-CE2 4.34Å; L284-Y288 WeakPolarHBondContact O-CD2 3.48Å; N285-Y288 PolarHBondContact O-N 3.4Å; A286-Y288 VanDerWaalsContact C-N 3.32Å; A286-Y288 PolarHBondContact O-N 2.79Å; Y288-K290 PolarHBondContact O-N 3.27Å; Y288-Y291 PolarHBondContact O-N 3.46Å; Y288-Y291 VanDerWaalsContact O-N 3.17Å; Y288-C312 HydrophobicContact CD1-CB 3.98Å; Y288-C312 HydrophobicContact CE1-CB 4.49Å; Y288-T316 HydrophobicContact CD1-CG2 4.36Å; Y288-T316 HydrophobicContact CE1-CG2 4.16Å
289	R	67.6	Low	64.8	Low	90 Å²	90	84.8 Å²	84.8	34%	0.34	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-45.8	-40.6	-176.3	-173.4	-178.8	-170.2	153.4	5.7	114.6	S99 N285 A286 Y291 R292	S99-R289 PolarHBondContact O-NH2 3.39Å; S99-R289 PolarHBondContact OG-NH2 3.27Å; N285-R289 PolarHBondContact O-N 3.01Å; A286-R289 WeakPolarHBondContact O-CB 3.32Å; A286-R289 PolarHBondContact O-N 2.9Å; R289-Y291 PolarHBondContact O-N 2.83Å; R289-Y291 VanDerWaalsContact O-N 3.11Å; R289-R292 WeakPolarHBondContact O-CB 3.21Å; R289-R292 PolarHBondContact O-N 2.87Å
290	K	71.6	Confident	65.3	Low	116 Å²	116	90 Å²	90	50%	0.504	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-52.7	-30.5	-178	179.2	168.2	-174	159.9	0	115.1	Y101 Y288	Y101-K290 HydrophobicContact CD2-CB 4.12Å; Y101-K290 HydrophobicContact CE1-CD 4.43Å; Y101-K290 HydrophobicContact CE1-CG 3.99Å; Y101-K290 HydrophobicContact CE2-CB 3.75Å; Y101-K290 HydrophobicContact CE2-CD 4.27Å; Y101-K290 HydrophobicContact CE2-CG 3.92Å; Y101-K290 WeakPolarHBondContact OH-CD 3.3Å; Y288-K290 PolarHBondContact O-N 3.27Å
291	Y	74.9	Confident	66.3	Low	64 Å²	64	89.9 Å²	89.9	25%	0.251	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-103.7	-4.1	-172.3	-52.2	-71.3	0	0	0	113.7	Y288 R289 F308 N311 E315 T316	Y288-Y291 PolarHBondContact O-N 3.46Å; Y288-Y291 VanDerWaalsContact O-N 3.17Å; R289-Y291 PolarHBondContact O-N 2.83Å; R289-Y291 VanDerWaalsContact O-N 3.11Å; Y291-F308 VanDerWaalsContact C-CD2 3.41Å; Y291-F308 WeakPolarHBondContact O-CD2 3.5Å; Y291-N311 HydrophobicContact CD1-CB 4.17Å; Y291-N311 HydrophobicContact CG-CB 4.4Å; Y291-E315 HydrophobicContact CE1-CB 3.96Å; Y291-E315 HydrophobicContact CE1-CG 3.8Å; Y291-E315 HydrophobicContact CE2-CB 4.49Å; Y291-E315 VanDerWaalsContact OH-CB 3.26Å; Y291-E315 WeakPolarHBondContact OH-CB 3.15Å; Y291-T316 HydrophobicContact CE2-CG2 4.03Å
292	R	70.5	Confident	67	Low	84 Å²	84	90.9 Å²	90.9	32%	0.317	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-69.3	136.6	-167.5	-172.2	173.7	179.4	140.6	-1.7	111.9	N285 R289 F294 F308	N285-R292 PolarHBondContact OD1-NH1 2.85Å; R289-R292 WeakPolarHBondContact O-CB 3.21Å; R289-R292 PolarHBondContact O-N 2.87Å; R292-F294 VanDerWaalsContact O-CD2 3.27Å; R292-F294 WeakPolarHBondContact O-CD2 3.2Å; R292-F294 WeakPolarHBondContact O-CE2 3.37Å; R292-F294 PolarHBondContact O-N 2.78Å; R292-F308 HydrophobicContact CB-CD2 4.46Å; R292-F308 HydrophobicContact CB-CE2 4.03Å; R292-F308 HydrophobicContact CB-CZ 4.34Å; R292-F308 HydrophobicContact CG-CZ 4.45Å
293	P	68.9	Low	67.7	Low	24 Å²	24	96.1 Å²	96.1	16%	0.156	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-70.5	121.9	171.9	-11	28.5	0	0	0	108.9	L296 W305 F308	P293-L296 HydrophobicContact CB-CB 4.3Å; P293-L296 HydrophobicContact CB-CD1 4.02Å; P293-L296 HydrophobicContact CB-CG 4.3Å; P293-W305 HydrophobicContact CG-CD2 4.5Å; P293-F308 HydrophobicContact CG-CB 3.81Å; P293-F308 HydrophobicContact CG-CG 4.37Å
294	F	65.9	Low	68.9	Low	67 Å²	67	96.4 Å²	96.4	29%	0.294	46%	0.46	S	S	.	.	S	Bend	trans	-82.1	139.9	177	-68.3	-89	0	0	0	110.1	V98 R292 L296	V98-F294 HydrophobicContact CG1-CD1 3.77Å; V98-F294 HydrophobicContact CG1-CE1 3.93Å; R292-F294 VanDerWaalsContact O-CD2 3.27Å; R292-F294 WeakPolarHBondContact O-CD2 3.2Å; R292-F294 WeakPolarHBondContact O-CE2 3.37Å; R292-F294 PolarHBondContact O-N 2.78Å; F294-L296 PolarHBondContact O-N 3.08Å
295	M	62.2	Low	69.7	Low	184 Å²	184	96 Å²	96	91%	0.906	45%	0.454	S	S	*	.	S	Bend	trans	62.6	1	175.6	-58.7	-73.8	-80.9	0	0	117.7	P297	M295-P297 WeakPolarHBondContact O-CD 3.06Å
296	L	63.9	Low	70.5	Confident	56 Å²	56	101.6 Å²	101.6	29%	0.293	47%	0.469	S	S	.	.			trans	-92.2	117.4	-178.5	-57.8	-171.2	0	0	0	113.2	P293 F294 H301 E304 W305	P293-L296 HydrophobicContact CB-CB 4.3Å; P293-L296 HydrophobicContact CB-CD1 4.02Å; P293-L296 HydrophobicContact CB-CG 4.3Å; F294-L296 PolarHBondContact O-N 3.08Å; L296-H301 HydrophobicContact CB-CB 3.96Å; L296-H301 HydrophobicContact CD1-CB 4.13Å; L296-E304 HydrophobicContact CD1-CB 3.74Å; L296-E304 HydrophobicContact CD1-CG 3.72Å; L296-W305 PolarHBondContact O-NE1 2.99Å
297	P	66	Low	71.4	Confident	71 Å²	71	103.5 Å²	103.5	46%	0.461	47%	0.466	S	S	.	.			trans	-66.9	153.6	171.3	28.4	-34.7	0	0	0	111.5	M295 H299 H301	M295-P297 WeakPolarHBondContact O-CD 3.06Å; P297-H299 VanDerWaalsContact C-N 3.31Å; P297-H299 PolarHBondContact O-N 2.72Å; P297-H301 WeakPolarHBondContact O-CB 3.34Å; P297-H301 PolarHBondContact O-ND1 3.5Å
298	Y	64.2	Low	72.3	Confident	154 Å²	154	98.2 Å²	98.2	60%	0.604	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-29.3	-178.8	9.4	-88.7	0	0	0	113.3	M302 W305	Y298-M302 WeakPolarHBondContact O-CG 3.14Å; Y298-W305 HydrophobicContact CD1-CZ2 4.29Å
299	H	64.7	Low	72.8	Confident	136 Å²	136	97.6 Å²	97.6	63%	0.63	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	142.1	165.4	-83.8	-90.9	0	0	0	110.6	P297 H301	P297-H299 VanDerWaalsContact C-N 3.31Å; P297-H299 PolarHBondContact O-N 2.72Å; H299-H301 PolarHBondContact O-N 3.37Å; H299-H301 PolarHBondContact O-ND1 2.91Å; H299-H301 VanDerWaalsContact O-ND1 3.11Å
300	N	74	Confident	73.3	Confident	156 Å²	156	98 Å²	98	83%	0.834	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	-30.2	-176.6	-58.1	-5.6	0	0	0	116.1	M302	N300-M302 PolarHBondContact O-N 3.23Å
301	H	78.2	Confident	73.8	Confident	55 Å²	55	95.2 Å²	95.2	26%	0.255	45%	0.446	S	S	.	.			trans	-100.1	32.6	-178.7	-46.7	88.5	0	0	0	113.6	L296 P297 H299 K303 E304 W305	L296-H301 HydrophobicContact CB-CB 3.96Å; L296-H301 HydrophobicContact CD1-CB 4.13Å; P297-H301 WeakPolarHBondContact O-CB 3.34Å; P297-H301 PolarHBondContact O-ND1 3.5Å; H299-H301 PolarHBondContact O-N 3.37Å; H299-H301 PolarHBondContact O-ND1 2.91Å; H299-H301 VanDerWaalsContact O-ND1 3.11Å; H301-K303 PolarHBondContact O-N 3.05Å; H301-E304 WeakPolarHBondContact CA-OE2 3.4Å; H301-E304 HydrophobicContact CB-CB 4.34Å; H301-E304 WeakPolarHBondContact CB-OE2 3.06Å; H301-E304 PolarHBondContact O-N 3.36Å; H301-E304 VanDerWaalsContact O-OE2 3.07Å; H301-W305 VanDerWaalsContact O-CD1 3.32Å; H301-W305 PolarHBondContact O-N 3.4Å; H301-W305 VanDerWaalsContact O-N 3.12Å
302	M	76.2	Confident	73.8	Confident	114 Å²	114	92.8 Å²	92.8	56%	0.562	44%	0.438	S	S	*	.	H	α-helix	trans	-59.9	-33	-177.3	-67	-177.6	178.3	0	0	112.1	Y298 N300 W305 W306	Y298-M302 WeakPolarHBondContact O-CG 3.14Å; N300-M302 PolarHBondContact O-N 3.23Å; M302-W305 PolarHBondContact O-N 2.85Å; M302-W306 WeakPolarHBondContact O-CB 3.22Å; M302-W306 PolarHBondContact O-N 2.98Å
303	K	79.2	Confident	73.9	Confident	159 Å²	159	93 Å²	93	69%	0.691	45%	0.445	S	S	*	.	H	α-helix	trans	-65.2	-40.8	179	-68.9	179.2	179.4	175.1	0	111.5	H301 W306 H307	H301-K303 PolarHBondContact O-N 3.05Å; K303-W306 PolarHBondContact O-N 3.14Å; K303-H307 WeakPolarHBondContact O-CB 3.44Å; K303-H307 PolarHBondContact O-CD2 2.83Å; K303-H307 PolarHBondContact O-N 2.93Å
304	E	80.8	Confident	74.4	Confident	76 Å²	76	93.8 Å²	93.8	36%	0.355	45%	0.448	S	S	.	.	H	α-helix	trans	-70	-39.9	-179.8	-63.5	76.8	-175.4	0	0	110.7	L296 H301 H307 F308	L296-E304 HydrophobicContact CD1-CB 3.74Å; L296-E304 HydrophobicContact CD1-CG 3.72Å; H301-E304 WeakPolarHBondContact CA-OE2 3.4Å; H301-E304 HydrophobicContact CB-CB 4.34Å; H301-E304 WeakPolarHBondContact CB-OE2 3.06Å; H301-E304 PolarHBondContact O-N 3.36Å; H301-E304 VanDerWaalsContact O-OE2 3.07Å; E304-H307 PolarHBondContact O-N 2.81Å; E304-F308 WeakPolarHBondContact O-CB 3.35Å; E304-F308 PolarHBondContact O-N 2.83Å
305	W	79.3	Confident	74.8	Confident	64 Å²	64	93.6 Å²	93.6	24%	0.242	45%	0.448	C	S	.	.	H	α-helix	trans	-67.3	-36.9	171.3	-79.5	93.9	0	0	0	112.7	P293 L296 Y298 H301 M302 F308 A309	P293-W305 HydrophobicContact CG-CD2 4.5Å; L296-W305 PolarHBondContact O-NE1 2.99Å; Y298-W305 HydrophobicContact CD1-CZ2 4.29Å; H301-W305 VanDerWaalsContact O-CD1 3.32Å; H301-W305 PolarHBondContact O-N 3.4Å; H301-W305 VanDerWaalsContact O-N 3.12Å; M302-W305 PolarHBondContact O-N 2.85Å; W305-F308 AromaticContact CE3-CD1 3.77Å; W305-F308 HydrophobicContact CE3-CD1 3.77Å; W305-F308 HydrophobicContact CE3-CE1 4.14Å; W305-F308 AromaticContact CZ3-CD1 4Å; W305-F308 HydrophobicContact CZ3-CD1 4Å; W305-F308 AromaticContact CZ3-CE1 3.92Å; W305-F308 HydrophobicContact CZ3-CE1 3.92Å; W305-F308 WeakPolarHBondContact O-CB 3.3Å; W305-F308 PolarHBondContact O-N 2.85Å; W305-A309 PolarHBondContact O-N 2.85Å
306	W	78.4	Confident	75	Confident	196 Å²	196	86.7 Å²	86.7	74%	0.742	42%	0.416	S	S	*	.	H	α-helix	trans	-66.5	-42	170.3	-84.3	114.4	0	0	0	112.3	M302 K303 F308 A309 M310	M302-W306 WeakPolarHBondContact O-CB 3.22Å; M302-W306 PolarHBondContact O-N 2.98Å; K303-W306 PolarHBondContact O-N 3.14Å; W306-F308 VanDerWaalsContact C-N 3.3Å; W306-F308 PolarHBondContact O-N 2.82Å; W306-A309 PolarHBondContact O-N 2.87Å; W306-M310 WeakPolarHBondContact O-CB 3.26Å; W306-M310 PolarHBondContact O-N 2.8Å
307	H	80.6	Confident	75.1	Confident	109 Å²	109	89.7 Å²	89.7	51%	0.505	43%	0.429	S	S	.	.	H	α-helix	trans	-62.7	-35.8	173.8	-81.2	-57	0	0	0	112.1	K303 E304 N311	K303-H307 WeakPolarHBondContact O-CB 3.44Å; K303-H307 PolarHBondContact O-CD2 2.83Å; K303-H307 PolarHBondContact O-N 2.93Å; E304-H307 PolarHBondContact O-N 2.81Å; H307-N311 WeakPolarHBondContact O-CB 3.13Å; H307-N311 PolarHBondContact O-N 2.77Å; H307-N311 PolarHBondContact O-ND2 3.46Å
308	F	82.4	Confident	75.3	Confident	34 Å²	34	89.9 Å²	89.9	15%	0.149	43%	0.428	C	S	.	.	H	α-helix	trans	-61.7	-53.9	170.8	160.9	-124.2	0	0	0	112.2	Y291 R292 P293 E304 W305 W306 M310 N311 C312	Y291-F308 VanDerWaalsContact C-CD2 3.41Å; Y291-F308 WeakPolarHBondContact O-CD2 3.5Å; R292-F308 HydrophobicContact CB-CD2 4.46Å; R292-F308 HydrophobicContact CB-CE2 4.03Å; R292-F308 HydrophobicContact CB-CZ 4.34Å; R292-F308 HydrophobicContact CG-CZ 4.45Å; P293-F308 HydrophobicContact CG-CB 3.81Å; P293-F308 HydrophobicContact CG-CG 4.37Å; E304-F308 WeakPolarHBondContact O-CB 3.35Å; E304-F308 PolarHBondContact O-N 2.83Å; W305-F308 AromaticContact CE3-CD1 3.77Å; W305-F308 HydrophobicContact CE3-CD1 3.77Å; W305-F308 HydrophobicContact CE3-CE1 4.14Å; W305-F308 AromaticContact CZ3-CD1 4Å; W305-F308 HydrophobicContact CZ3-CD1 4Å; W305-F308 AromaticContact CZ3-CE1 3.92Å; W305-F308 HydrophobicContact CZ3-CE1 3.92Å; W305-F308 WeakPolarHBondContact O-CB 3.3Å; W305-F308 PolarHBondContact O-N 2.85Å; W306-F308 VanDerWaalsContact C-N 3.3Å; W306-F308 PolarHBondContact O-N 2.82Å; F308-M310 VanDerWaalsContact C-N 3.3Å; F308-M310 PolarHBondContact O-N 3.21Å; F308-N311 PolarHBondContact O-N 2.9Å; F308-N311 VanDerWaalsContact O-N 3.17Å; F308-C312 VanDerWaalsContact CD2-SG 3.57Å; F308-C312 WeakPolarHBondContact CE2-SG 3.41Å; F308-C312 PolarHBondContact O-N 2.92Å; F308-C312 PolarHBondContact O-SG 2.82Å
309	A	78.3	Confident	76	Confident	40 Å²	40	88.6 Å²	88.6	33%	0.331	42%	0.422	S	S	.	.	H	α-helix	trans	-58.9	-43.1	178.3	0	0	0	0	0	111.9	W305 W306 C312 I313	W305-A309 PolarHBondContact O-N 2.85Å; W306-A309 PolarHBondContact O-N 2.87Å; A309-C312 PolarHBondContact O-N 3.23Å; A309-I313 WeakPolarHBondContact O-CG1 3.29Å; A309-I313 PolarHBondContact O-N 3.36Å; A309-I313 VanDerWaalsContact O-N 3.15Å
310	M	79.1	Confident	76.1	Confident	100 Å²	100	89.7 Å²	89.7	49%	0.493	42%	0.421	S	S	.	.	H	α-helix	trans	-59.3	-47.7	173.7	178.5	-179.3	176.5	0	0	111.8	W306 F308 I313 L314	W306-M310 WeakPolarHBondContact O-CB 3.26Å; W306-M310 PolarHBondContact O-N 2.8Å; F308-M310 VanDerWaalsContact C-N 3.3Å; F308-M310 PolarHBondContact O-N 3.21Å; M310-I313 PolarHBondContact O-N 3.16Å; M310-L314 HydrophobicContact CE-CD1 3.64Å; M310-L314 HydrophobicContact CG-CD1 3.71Å; M310-L314 HydrophobicContact CG-CG 4.18Å; M310-L314 WeakPolarHBondContact O-CB 3.35Å; M310-L314 VanDerWaalsContact O-CG 3.25Å; M310-L314 WeakPolarHBondContact O-CG 3.31Å; M310-L314 PolarHBondContact O-N 2.95Å
311	N	81.4	Confident	75.7	Confident	57 Å²	57	85.9 Å²	85.9	31%	0.305	40%	0.403	S	S	.	.	H	α-helix	trans	-66.6	-37.2	179.2	-75.2	-23	0	0	0	112.3	Y291 H307 F308 E315	Y291-N311 HydrophobicContact CD1-CB 4.17Å; Y291-N311 HydrophobicContact CG-CB 4.4Å; H307-N311 WeakPolarHBondContact O-CB 3.13Å; H307-N311 PolarHBondContact O-N 2.77Å; H307-N311 PolarHBondContact O-ND2 3.46Å; F308-N311 PolarHBondContact O-N 2.9Å; F308-N311 VanDerWaalsContact O-N 3.17Å; N311-E315 WeakPolarHBondContact O-CB 3.18Å; N311-E315 PolarHBondContact O-N 2.84Å
312	C	76.6	Confident	75.3	Confident	12 Å²	12	86.3 Å²	86.3	8%	0.081	42%	0.416	C	S	.	.	H	α-helix	trans	-59.3	-49.6	174	-72.4	0	0	0	0	111.9	Y288 F308 A309 T316	Y288-C312 HydrophobicContact CD1-CB 3.98Å; Y288-C312 HydrophobicContact CE1-CB 4.49Å; F308-C312 VanDerWaalsContact CD2-SG 3.57Å; F308-C312 WeakPolarHBondContact CE2-SG 3.41Å; F308-C312 PolarHBondContact O-N 2.92Å; F308-C312 PolarHBondContact O-SG 2.82Å; A309-C312 PolarHBondContact O-N 3.23Å; C312-T316 WeakPolarHBondContact O-CB 3.25Å; C312-T316 WeakPolarHBondContact O-CG2 3.2Å; C312-T316 PolarHBondContact O-N 3.02Å; C312-T316 VanDerWaalsContact O-N 3.13Å; C312-T316 PolarHBondContact O-OG1 2.9Å
313	I	72.2	Confident	75.1	Confident	90 Å²	90	89.2 Å²	89.2	46%	0.462	42%	0.421	S	S	.	.	H	α-helix	trans	-69.2	-47.4	178.6	-63.4	169.2	0	0	0	110.4	A309 M310 Q317 V318	A309-I313 WeakPolarHBondContact O-CG1 3.29Å; A309-I313 PolarHBondContact O-N 3.36Å; A309-I313 VanDerWaalsContact O-N 3.15Å; M310-I313 PolarHBondContact O-N 3.16Å; I313-Q317 WeakPolarHBondContact O-CB 3.36Å; I313-Q317 PolarHBondContact O-N 3.46Å; I313-V318 HydrophobicContact CG2-CG2 4.2Å; I313-V318 PolarHBondContact O-N 2.88Å; I313-V318 VanDerWaalsContact O-N 3.11Å
314	L	77.9	Confident	74.5	Confident	39 Å²	39	85.2 Å²	85.2	20%	0.204	41%	0.407	C	S	.	.	I	π-helix	trans	-62	-49.6	-178.1	-76.1	-176.7	0	0	0	112.1	M310 V318 R319	M310-L314 HydrophobicContact CE-CD1 3.64Å; M310-L314 HydrophobicContact CG-CD1 3.71Å; M310-L314 HydrophobicContact CG-CG 4.18Å; M310-L314 WeakPolarHBondContact O-CB 3.35Å; M310-L314 VanDerWaalsContact O-CG 3.25Å; M310-L314 WeakPolarHBondContact O-CG 3.31Å; M310-L314 PolarHBondContact O-N 2.95Å; L314-V318 HydrophobicContact CD2-CB 4.2Å; L314-V318 HydrophobicContact CD2-CG1 4.42Å; L314-V318 HydrophobicContact CD2-CG2 4.28Å; L314-V318 PolarHBondContact O-N 2.88Å; L314-R319 WeakPolarHBondContact O-CA 3.44Å; L314-R319 WeakPolarHBondContact O-CB 3.22Å; L314-R319 VanDerWaalsContact O-CG 3.3Å; L314-R319 WeakPolarHBondContact O-CG 3.43Å; L314-R319 PolarHBondContact O-N 3.23Å
315	E	74.9	Confident	73.8	Confident	64 Å²	64	90.1 Å²	90.1	30%	0.299	42%	0.422	S	S	.	.	I	π-helix	trans	-74.5	-44.4	-178.1	-68.2	-58	151.5	0	0	112.4	Y291 N311 R319 R320	Y291-E315 HydrophobicContact CE1-CB 3.96Å; Y291-E315 HydrophobicContact CE1-CG 3.8Å; Y291-E315 HydrophobicContact CE2-CB 4.49Å; Y291-E315 VanDerWaalsContact OH-CB 3.26Å; Y291-E315 WeakPolarHBondContact OH-CB 3.15Å; N311-E315 WeakPolarHBondContact O-CB 3.18Å; N311-E315 PolarHBondContact O-N 2.84Å; E315-R319 WeakPolarHBondContact OE1-CD 3.47Å; E315-R319 IonicContact OE1-CZ 3.59Å; E315-R319 IonicContact OE1-NE 2.72Å; E315-R319 IonicContact OE1-NH1 2.66Å; E315-R319 PolarHBondContact OE1-NH1 2.74Å; E315-R320 VanDerWaalsContact O-CB 3.26Å; E315-R320 WeakPolarHBondContact O-CB 3.35Å; E315-R320 PolarHBondContact O-N 2.85Å
316	T	67.7	Low	73.6	Confident	39 Å²	39	88.8 Å²	88.8	24%	0.239	42%	0.423	C	S	.	.	I	π-helix	trans	-83.6	-34.2	-170.9	72.6	0	0	0	0	114.4	Y288 Y291 C312	Y288-T316 HydrophobicContact CD1-CG2 4.36Å; Y288-T316 HydrophobicContact CE1-CG2 4.16Å; Y291-T316 HydrophobicContact CE2-CG2 4.03Å; C312-T316 WeakPolarHBondContact O-CB 3.25Å; C312-T316 WeakPolarHBondContact O-CG2 3.2Å; C312-T316 PolarHBondContact O-N 3.02Å; C312-T316 VanDerWaalsContact O-N 3.13Å; C312-T316 PolarHBondContact O-OG1 2.9Å
317	Q	65.4	Low	73.5	Confident	119 Å²	119	88.2 Å²	88.2	56%	0.556	42%	0.42	S	S	*	.	I	π-helix	trans	-107	-41.5	-176.5	-60.9	-172.4	-1.8	0	0	113.3	I313 V321	I313-Q317 WeakPolarHBondContact O-CB 3.36Å; I313-Q317 PolarHBondContact O-N 3.46Å; Q317-V321 WeakPolarHBondContact O-CB 3.33Å; Q317-V321 WeakPolarHBondContact O-CG2 3.32Å
318	V	70.9	Confident	73.4	Confident	74 Å²	74	86.7 Å²	86.7	45%	0.448	42%	0.422	S	S	.	.	I	π-helix	trans	-91.1	-65.2	-172.1	-173.7	0	0	0	0	112.5	I313 L314 V321 A322	I313-V318 HydrophobicContact CG2-CG2 4.2Å; I313-V318 PolarHBondContact O-N 2.88Å; I313-V318 VanDerWaalsContact O-N 3.11Å; L314-V318 HydrophobicContact CD2-CB 4.2Å; L314-V318 HydrophobicContact CD2-CG1 4.42Å; L314-V318 HydrophobicContact CD2-CG2 4.28Å; L314-V318 PolarHBondContact O-N 2.88Å; V318-V321 PolarHBondContact O-N 2.85Å; V318-A322 WeakPolarHBondContact O-CB 3.3Å; V318-A322 PolarHBondContact O-N 2.84Å
319	R	76.9	Confident	73.4	Confident	127 Å²	127	87.3 Å²	87.3	48%	0.479	43%	0.425	S	S	.	.	I	π-helix	trans	-64.7	-41.5	-175.9	-67.4	173.9	172.6	-174.7	-0.8	111.8	L314 E315 V321 A322 R323	L314-R319 WeakPolarHBondContact O-CA 3.44Å; L314-R319 WeakPolarHBondContact O-CB 3.22Å; L314-R319 VanDerWaalsContact O-CG 3.3Å; L314-R319 WeakPolarHBondContact O-CG 3.43Å; L314-R319 PolarHBondContact O-N 3.23Å; E315-R319 WeakPolarHBondContact OE1-CD 3.47Å; E315-R319 IonicContact OE1-CZ 3.59Å; E315-R319 IonicContact OE1-NE 2.72Å; E315-R319 IonicContact OE1-NH1 2.66Å; E315-R319 PolarHBondContact OE1-NH1 2.74Å; R319-V321 PolarHBondContact O-N 2.81Å; R319-A322 PolarHBondContact O-N 2.8Å; R319-R323 WeakPolarHBondContact O-CB 3.49Å; R319-R323 PolarHBondContact O-N 2.82Å
320	R	66.8	Low	73.4	Confident	160 Å²	160	87.4 Å²	87.4	60%	0.604	42%	0.42	S	S	*	.	H	α-helix	trans	-57.8	-47.8	173	-179.1	179.9	-179.8	-166.3	0.8	111.7	E315 N324	E315-R320 VanDerWaalsContact O-CB 3.26Å; E315-R320 WeakPolarHBondContact O-CB 3.35Å; E315-R320 PolarHBondContact O-N 2.85Å; R320-N324 VanDerWaalsContact O-CB 3.25Å; R320-N324 WeakPolarHBondContact O-CB 3.44Å; R320-N324 PolarHBondContact O-N 2.79Å; R320-N324 PolarHBondContact O-OD1 2.82Å; R320-N324 VanDerWaalsContact O-OD1 3.09Å
321	V	66.3	Low	73.6	Confident	76 Å²	76	89.4 Å²	89.4	46%	0.461	43%	0.426	S	S	.	.	H	α-helix	trans	-67.6	-48	179.9	175.7	0	0	0	0	110.4	Q317 V318 R319 R323 N324 W325	Q317-V321 WeakPolarHBondContact O-CB 3.33Å; Q317-V321 WeakPolarHBondContact O-CG2 3.32Å; V318-V321 PolarHBondContact O-N 2.85Å; R319-V321 PolarHBondContact O-N 2.81Å; V321-R323 VanDerWaalsContact C-N 3.34Å; V321-R323 PolarHBondContact O-N 3.37Å; V321-N324 PolarHBondContact O-N 2.72Å; V321-W325 VanDerWaalsContact O-CD1 3.27Å; V321-W325 PolarHBondContact O-N 2.93Å
322	A	70.2	Confident	73.7	Confident	64 Å²	64	93 Å²	93	53%	0.529	44%	0.441	S	S	.	.	H	α-helix	trans	-59.5	-40.5	177.9	0	0	0	0	0	113.1	V318 R319 S326	V318-A322 WeakPolarHBondContact O-CB 3.3Å; V318-A322 PolarHBondContact O-N 2.84Å; R319-A322 PolarHBondContact O-N 2.8Å; A322-S326 PolarHBondContact O-N 2.95Å; A322-S326 VanDerWaalsContact O-N 3.16Å
323	R	71.9	Confident	74.1	Confident	174 Å²	174	94.8 Å²	94.8	66%	0.657	45%	0.448	S	S	*	.	H	α-helix	trans	-66.8	-49.3	175	-175.6	175.3	-179.7	171.8	-0.2	111.1	R319 V321 W325 S326 H329	R319-R323 WeakPolarHBondContact O-CB 3.49Å; R319-R323 PolarHBondContact O-N 2.82Å; V321-R323 VanDerWaalsContact C-N 3.34Å; V321-R323 PolarHBondContact O-N 3.37Å; R323-W325 VanDerWaalsContact C-N 3.29Å; R323-W325 PolarHBondContact O-N 3.4Å; R323-S326 WeakPolarHBondContact O-CB 3.48Å; R323-S326 PolarHBondContact O-N 3.38Å; R323-S326 VanDerWaalsContact O-N 3.13Å; R323-S326 PolarHBondContact O-OG 2.95Å; R323-H329 VanDerWaalsContact O-CB 3.25Å; R323-H329 WeakPolarHBondContact O-CB 3.43Å
324	N	66.4	Low	74.7	Confident	76 Å²	76	98 Å²	98	41%	0.406	45%	0.454	S	S	.	.	H	α-helix	trans	-62.1	-35	-178.7	-76.4	26.5	0	0	0	112.8	R320 V321 I330	R320-N324 VanDerWaalsContact O-CB 3.25Å; R320-N324 WeakPolarHBondContact O-CB 3.44Å; R320-N324 PolarHBondContact O-N 2.79Å; R320-N324 PolarHBondContact O-OD1 2.82Å; R320-N324 VanDerWaalsContact O-OD1 3.09Å; V321-N324 PolarHBondContact O-N 2.72Å; N324-I330 WeakPolarHBondContact O-CG1 3.43Å
325	W	66	Low	75.2	Confident	179 Å²	179	100.4 Å²	100.4	68%	0.678	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	1	177.5	-72.3	96.2	0	0	0	114.5	V321 R323 I330	V321-W325 VanDerWaalsContact O-CD1 3.27Å; V321-W325 PolarHBondContact O-N 2.93Å; R323-W325 VanDerWaalsContact C-N 3.29Å; R323-W325 PolarHBondContact O-N 3.4Å; W325-I330 WeakPolarHBondContact O-CD1 3.47Å
326	S	76.1	Confident	75.8	Confident	36 Å²	36	98 Å²	98	25%	0.252	45%	0.454	S	S	.	.	S	Bend	trans	-71.5	136.6	175.5	70.5	0	0	0	0	111.5	A322 R323 S328 H329 I330	A322-S326 PolarHBondContact O-N 2.95Å; A322-S326 VanDerWaalsContact O-N 3.16Å; R323-S326 WeakPolarHBondContact O-CB 3.48Å; R323-S326 PolarHBondContact O-N 3.38Å; R323-S326 VanDerWaalsContact O-N 3.13Å; R323-S326 PolarHBondContact O-OG 2.95Å; S326-S328 VanDerWaalsContact C-N 3.28Å; S326-S328 PolarHBondContact O-N 3.43Å; S326-H329 PolarHBondContact O-N 2.66Å; S326-H329 VanDerWaalsContact O-N 3.11Å; S326-H329 VanDerWaalsContact OG-CB 3.23Å; S326-H329 WeakPolarHBondContact OG-CB 3.12Å; S326-I330 WeakPolarHBondContact O-CG1 3.35Å; S326-I330 PolarHBondContact O-N 2.67Å
327	W	75	Confident	76.7	Confident	183 Å²	183	97.2 Å²	97.2	69%	0.693	45%	0.449	S	S	*	.	H	α-helix	trans	-62.7	-33.5	-175	-177.5	-121.4	0	0	0	113.4	I330 K331	W327-I330 HydrophobicContact CE3-CB 4.23Å; W327-I330 HydrophobicContact CE3-CG2 4.06Å; W327-I330 HydrophobicContact CZ3-CG2 3.97Å; W327-I330 PolarHBondContact O-N 3.43Å; W327-K331 VanDerWaalsContact O-CB 3.26Å; W327-K331 WeakPolarHBondContact O-CB 3.36Å; W327-K331 PolarHBondContact O-N 2.74Å
328	S	79.8	Confident	77.7	Confident	77 Å²	77	97 Å²	97	54%	0.538	45%	0.446	S	S	.	.	H	α-helix	trans	-61.1	-46.4	173	47.1	0	0	0	0	111.8	S326 Q332	S326-S328 VanDerWaalsContact C-N 3.28Å; S326-S328 PolarHBondContact O-N 3.43Å; S328-Q332 WeakPolarHBondContact O-CB 3.31Å; S328-Q332 VanDerWaalsContact O-CG 3.26Å; S328-Q332 WeakPolarHBondContact O-CG 3.32Å; S328-Q332 PolarHBondContact O-N 2.97Å
329	H	80.8	Confident	78.5	Confident	47 Å²	47	96.7 Å²	96.7	22%	0.218	44%	0.439	C	S	.	.	H	α-helix	trans	-70.1	-41.9	176.7	-171.2	70.2	0	0	0	112.3	R323 S326 K331 Q332 H333	R323-H329 VanDerWaalsContact O-CB 3.25Å; R323-H329 WeakPolarHBondContact O-CB 3.43Å; S326-H329 PolarHBondContact O-N 2.66Å; S326-H329 VanDerWaalsContact O-N 3.11Å; S326-H329 VanDerWaalsContact OG-CB 3.23Å; S326-H329 WeakPolarHBondContact OG-CB 3.12Å; H329-K331 VanDerWaalsContact C-N 3.31Å; H329-K331 PolarHBondContact O-N 2.99Å; H329-Q332 PolarHBondContact O-N 3.36Å; H329-H333 WeakPolarHBondContact O-CB 3.41Å; H329-H333 PolarHBondContact O-N 2.97Å
330	I	78.2	Confident	79.2	Confident	42 Å²	42	90.6 Å²	90.6	22%	0.215	42%	0.417	C	S	.	.	H	α-helix	trans	-58.8	-43.4	174.9	-67.5	169.5	0	0	0	110.6	N324 W325 S326 W327 R334	N324-I330 WeakPolarHBondContact O-CG1 3.43Å; W325-I330 WeakPolarHBondContact O-CD1 3.47Å; S326-I330 WeakPolarHBondContact O-CG1 3.35Å; S326-I330 PolarHBondContact O-N 2.67Å; W327-I330 HydrophobicContact CE3-CB 4.23Å; W327-I330 HydrophobicContact CE3-CG2 4.06Å; W327-I330 HydrophobicContact CZ3-CG2 3.97Å; W327-I330 PolarHBondContact O-N 3.43Å; I330-R334 HydrophobicContact CG2-CG 4.38Å; I330-R334 WeakPolarHBondContact O-CB 3.44Å; I330-R334 WeakPolarHBondContact O-CG 3.38Å; I330-R334 PolarHBondContact O-N 3.38Å
331	K	84.4	Confident	80	Confident	142 Å²	142	84.5 Å²	84.5	62%	0.617	40%	0.395	S	S	*	.	H	α-helix	trans	-63.2	-49.8	176.5	-173.5	179.9	178.8	-176	0	111	W327 H329 H333 E335	W327-K331 VanDerWaalsContact O-CB 3.26Å; W327-K331 WeakPolarHBondContact O-CB 3.36Å; W327-K331 PolarHBondContact O-N 2.74Å; H329-K331 VanDerWaalsContact C-N 3.31Å; H329-K331 PolarHBondContact O-N 2.99Å; K331-H333 PolarHBondContact O-N 3.4Å; K331-E335 WeakPolarHBondContact O-CB 3.45Å; K331-E335 PolarHBondContact O-N 3.45Å
332	Q	84	Confident	81	Confident	132 Å²	132	85.1 Å²	85.1	62%	0.617	40%	0.395	S	S	*	.	H	α-helix	trans	-60.2	-42.3	177.4	-74.1	170.7	-9.7	0	0	112.6	S328 H329 L336	S328-Q332 WeakPolarHBondContact O-CB 3.31Å; S328-Q332 VanDerWaalsContact O-CG 3.26Å; S328-Q332 WeakPolarHBondContact O-CG 3.32Å; S328-Q332 PolarHBondContact O-N 2.97Å; H329-Q332 PolarHBondContact O-N 3.36Å; Q332-L336 WeakPolarHBondContact O-CB 3.49Å; Q332-L336 PolarHBondContact O-N 3.09Å
333	H	85.2	Confident	81.8	Confident	50 Å²	50	82.1 Å²	82.1	23%	0.231	37%	0.37	C	S	.	.	H	α-helix	trans	-68.1	-48.6	179.9	-179.8	94.2	0	0	0	111.7	H329 K331 E335 L336 V337	H329-H333 WeakPolarHBondContact O-CB 3.41Å; H329-H333 PolarHBondContact O-N 2.97Å; K331-H333 PolarHBondContact O-N 3.4Å; H333-E335 VanDerWaalsContact C-N 3.27Å; H333-E335 PolarHBondContact O-N 3.32Å; H333-L336 PolarHBondContact O-N 3.42Å; H333-V337 VanDerWaalsContact O-CG2 3.3Å; H333-V337 WeakPolarHBondContact O-CG2 3.5Å; H333-V337 PolarHBondContact O-N 2.96Å
334	R	84.5	Confident	82.4	Confident	159 Å²	159	74.7 Å²	74.7	60%	0.6	34%	0.342	S	S	*	.	H	α-helix	trans	-62.9	-34.6	176.4	-71.7	-175.9	72.9	-173.3	4.3	112.5	I330 K338	I330-R334 HydrophobicContact CG2-CG 4.38Å; I330-R334 WeakPolarHBondContact O-CB 3.44Å; I330-R334 WeakPolarHBondContact O-CG 3.38Å; I330-R334 PolarHBondContact O-N 3.38Å; R334-K338 WeakPolarHBondContact O-CG 3.25Å; R334-K338 PolarHBondContact O-N 3.33Å; R334-K338 VanDerWaalsContact O-N 3.11Å
335	E	87.3	Confident	83.3	Confident	89 Å²	89	71.8 Å²	71.8	42%	0.416	33%	0.326	S	S	.	.	H	α-helix	trans	-68.8	-45.7	175.2	-171.9	55.7	-148.2	0	0	111.1	K331 H333 V337 K338 Q339	K331-E335 WeakPolarHBondContact O-CB 3.45Å; K331-E335 PolarHBondContact O-N 3.45Å; H333-E335 VanDerWaalsContact C-N 3.27Å; H333-E335 PolarHBondContact O-N 3.32Å; E335-V337 PolarHBondContact O-N 2.81Å; E335-K338 PolarHBondContact O-N 3.23Å; E335-Q339 WeakPolarHBondContact O-CB 3.37Å; E335-Q339 VanDerWaalsContact O-CG 3.29Å; E335-Q339 WeakPolarHBondContact O-CG 3.45Å; E335-Q339 PolarHBondContact O-N 3.49Å; E335-Q339 PolarHBondContact OE1-NE2 3.04Å
336	L	89	Confident	84	Confident	14 Å²	14	66 Å²	66	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-38.6	175.7	-172.1	63.4	0	0	0	112.6	Q332 H333 Q339 Y340 K363 A364 Q367 L368	Q332-L336 WeakPolarHBondContact O-CB 3.49Å; Q332-L336 PolarHBondContact O-N 3.09Å; H333-L336 PolarHBondContact O-N 3.42Å; L336-Q339 PolarHBondContact O-N 2.82Å; L336-Y340 VanDerWaalsContact O-CB 3.27Å; L336-Y340 WeakPolarHBondContact O-CB 3.45Å; L336-Y340 PolarHBondContact O-N 2.86Å; L336-K363 HydrophobicContact CD1-CG 4.5Å; L336-A364 HydrophobicContact CD1-CB 4.02Å; L336-A364 HydrophobicContact CG-CB 4.1Å; L336-Q367 HydrophobicContact CD2-CB 3.88Å; L336-L368 HydrophobicContact CD2-CD2 4.06Å; L336-L368 HydrophobicContact CD2-CG 4.18Å; L336-L368 HydrophobicContact CG-CD1 4.5Å; L336-L368 HydrophobicContact CG-CD2 4.35Å; L336-L368 HydrophobicContact CG-CG 4.4Å
337	V	86.3	Confident	84.3	Confident	22 Å²	22	67 Å²	67	13%	0.133	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-44	173.9	169.7	0	0	0	0	111.3	H333 E335 Y340 E341 L368 A376	H333-V337 VanDerWaalsContact O-CG2 3.3Å; H333-V337 WeakPolarHBondContact O-CG2 3.5Å; H333-V337 PolarHBondContact O-N 2.96Å; E335-V337 PolarHBondContact O-N 2.81Å; V337-Y340 PolarHBondContact O-N 3.48Å; V337-E341 WeakPolarHBondContact O-CB 3.38Å; V337-E341 PolarHBondContact O-N 2.89Å; V337-L368 HydrophobicContact CG2-CD1 3.86Å; V337-L368 HydrophobicContact CG2-CD2 3.69Å; V337-L368 HydrophobicContact CG2-CG 4.44Å; V337-A376 HydrophobicContact CG1-CB 4.39Å
338	K	86.2	Confident	84.4	Confident	115 Å²	115	60.5 Å²	60.5	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-64.1	-45.5	174.9	-78.6	179.6	170.1	-169.4	0	112.7	R334 E335 Y340 E341 L342	R334-K338 WeakPolarHBondContact O-CG 3.25Å; R334-K338 PolarHBondContact O-N 3.33Å; R334-K338 VanDerWaalsContact O-N 3.11Å; E335-K338 PolarHBondContact O-N 3.23Å; K338-Y340 PolarHBondContact O-N 2.93Å; K338-E341 PolarHBondContact O-N 2.8Å; K338-L342 WeakPolarHBondContact O-CG 3.28Å; K338-L342 PolarHBondContact O-N 3.13Å
339	Q	87.6	Confident	84.1	Confident	66 Å²	66	58.6 Å²	58.6	31%	0.308	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-36.6	178.6	-71.2	176.7	6.6	0	0	110.7	E335 L336 A343 I360	E335-Q339 WeakPolarHBondContact O-CB 3.37Å; E335-Q339 VanDerWaalsContact O-CG 3.29Å; E335-Q339 WeakPolarHBondContact O-CG 3.45Å; E335-Q339 PolarHBondContact O-N 3.49Å; E335-Q339 PolarHBondContact OE1-NE2 3.04Å; L336-Q339 PolarHBondContact O-N 2.82Å; Q339-A343 WeakPolarHBondContact O-CB 3.46Å; Q339-A343 PolarHBondContact O-N 3.04Å; Q339-I360 HydrophobicContact CB-CG2 3.81Å
340	Y	90.4	Very high	83.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-68.8	-44.9	172.2	-172.9	-106.5	0	0	0	113.3	L336 V337 K338 L342 A343 W344 I361 A364 E365 L368 L373 A376 R377	L336-Y340 VanDerWaalsContact O-CB 3.27Å; L336-Y340 WeakPolarHBondContact O-CB 3.45Å; L336-Y340 PolarHBondContact O-N 2.86Å; V337-Y340 PolarHBondContact O-N 3.48Å; K338-Y340 PolarHBondContact O-N 2.93Å; Y340-L342 VanDerWaalsContact C-N 3.32Å; Y340-L342 PolarHBondContact O-N 3.08Å; Y340-A343 PolarHBondContact O-N 2.95Å; Y340-W344 HydrophobicContact CE2-CE3 4.34Å; Y340-W344 AromaticContact CZ-CE3 3.99Å; Y340-W344 WeakPolarHBondContact O-CB 3.31Å; Y340-W344 PolarHBondContact O-N 3.36Å; Y340-I361 HydrophobicContact CD2-CG1 4.21Å; Y340-I361 HydrophobicContact CE2-CB 4.36Å; Y340-I361 HydrophobicContact CE2-CG1 4.16Å; Y340-I361 HydrophobicContact CE2-CG2 4.16Å; Y340-A364 HydrophobicContact CD2-CB 3.41Å; Y340-A364 VanDerWaalsContact CD2-CB 3.41Å; Y340-A364 HydrophobicContact CE2-CB 4.18Å; Y340-A364 HydrophobicContact CG-CB 3.84Å; Y340-E365 HydrophobicContact CE2-CG 3.77Å; Y340-E365 PolarHBondContact OH-OE1 3.15Å; Y340-L368 HydrophobicContact CG-CD1 4.48Å; Y340-L373 HydrophobicContact CD1-CD2 3.97Å; Y340-L373 HydrophobicContact CE1-CD2 3.47Å; Y340-L373 VanDerWaalsContact CE1-CD2 3.47Å; Y340-L373 HydrophobicContact CE2-CD2 4.09Å; Y340-L373 HydrophobicContact CG-CD2 4.47Å; Y340-A376 HydrophobicContact CD1-CB 3.72Å; Y340-A376 HydrophobicContact CE1-CB 4.24Å; Y340-R377 HydrophobicContact CE1-CG 4.09Å; Y340-R377 PolarHBondContact OH-NE 2.83Å; Y340-R377 PolarHBondContact OH-NH2 2.78Å
341	E	85.2	Confident	83.1	Confident	32 Å²	32	66.5 Å²	66.5	15%	0.15	31%	0.305	C	S	.	.	H	α-helix	trans	-55.8	-46.8	175.6	-173.6	-169.6	179.6	0	0	111.2	V337 K338 L345 A376 Q379 Q383	V337-E341 WeakPolarHBondContact O-CB 3.38Å; V337-E341 PolarHBondContact O-N 2.89Å; K338-E341 PolarHBondContact O-N 2.8Å; E341-L345 VanDerWaalsContact O-CB 3.3Å; E341-L345 WeakPolarHBondContact O-CB 3.44Å; E341-L345 PolarHBondContact O-N 2.67Å; E341-A376 HydrophobicContact CB-CB 4.47Å; E341-Q379 HydrophobicContact CG-CB 4.33Å; E341-Q379 WeakPolarHBondContact OE1-CB 3.47Å; E341-Q383 PolarHBondContact OE1-NE2 2.72Å
342	L	85.9	Confident	82.3	Confident	89 Å²	89	66.9 Å²	66.9	47%	0.466	31%	0.314	S	S	.	.	H	α-helix	trans	-68.3	-46.8	178.6	-67.3	171.6	0	0	0	112.3	K338 Y340 W344 L345 E346	K338-L342 WeakPolarHBondContact O-CG 3.28Å; K338-L342 PolarHBondContact O-N 3.13Å; Y340-L342 VanDerWaalsContact C-N 3.32Å; Y340-L342 PolarHBondContact O-N 3.08Å; L342-W344 VanDerWaalsContact C-N 3.33Å; L342-W344 PolarHBondContact O-N 3.39Å; L342-L345 PolarHBondContact O-N 3.47Å; L342-E346 PolarHBondContact O-N 3.24Å
343	A	87.1	Confident	81.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-35.9	178.3	0	0	0	0	0	112.4	Q339 Y340 K347 I353 K357 I360 I361	Q339-A343 WeakPolarHBondContact O-CB 3.46Å; Q339-A343 PolarHBondContact O-N 3.04Å; Y340-A343 PolarHBondContact O-N 2.95Å; A343-K347 WeakPolarHBondContact O-CB 3.45Å; A343-K347 PolarHBondContact O-N 3.17Å; A343-I353 WeakPolarHBondContact O-CD1 3.39Å; A343-K357 HydrophobicContact CB-CB 4.1Å; A343-K357 HydrophobicContact CB-CD 3.95Å; A343-I360 HydrophobicContact CB-CG2 4.17Å; A343-I361 HydrophobicContact CB-CD1 4.02Å; A343-I361 HydrophobicContact CB-CG1 3.84Å
344	W	86.1	Confident	81.4	Confident	18 Å²	18	62.7 Å²	62.7	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-72.2	-38.1	176	-169.4	-94.2	0	0	0	112.4	Y340 L342 E346 K347 R348 R377	Y340-W344 HydrophobicContact CE2-CE3 4.34Å; Y340-W344 AromaticContact CZ-CE3 3.99Å; Y340-W344 WeakPolarHBondContact O-CB 3.31Å; Y340-W344 PolarHBondContact O-N 3.36Å; L342-W344 VanDerWaalsContact C-N 3.33Å; L342-W344 PolarHBondContact O-N 3.39Å; W344-E346 VanDerWaalsContact C-N 3.34Å; W344-K347 HydrophobicContact CE3-CD 4.22Å; W344-K347 HydrophobicContact CZ3-CD 4.07Å; W344-K347 PolarHBondContact O-N 3.49Å; W344-R348 PolarHBondContact O-N 3.36Å; W344-R377 HydrophobicContact CD2-CG 3.96Å; W344-R377 HydrophobicContact CG-CG 4.1Å; W344-R377 HydrophobicContact CZ2-CG 4.18Å
345	L	83.5	Confident	81.2	Confident	15 Å²	15	59.9 Å²	59.9	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-42.5	172.3	-177.2	134.7	0	0	0	111.3	E341 L342 R348 T349 A380 Q383 I384	E341-L345 VanDerWaalsContact O-CB 3.3Å; E341-L345 WeakPolarHBondContact O-CB 3.44Å; E341-L345 PolarHBondContact O-N 2.67Å; L342-L345 PolarHBondContact O-N 3.47Å; L345-R348 PolarHBondContact O-N 2.84Å; L345-T349 WeakPolarHBondContact O-CB 3.26Å; L345-T349 WeakPolarHBondContact O-CG2 3.33Å; L345-T349 PolarHBondContact O-N 3.23Å; L345-T349 PolarHBondContact O-OG1 3.45Å; L345-A380 HydrophobicContact CB-CB 4.07Å; L345-A380 HydrophobicContact CD1-CB 4.49Å; L345-Q383 HydrophobicContact CD1-CB 3.46Å; L345-Q383 VanDerWaalsContact CD1-CB 3.46Å; L345-Q383 HydrophobicContact CD1-CG 4.33Å; L345-I384 HydrophobicContact CD1-CG1 4.13Å; L345-I384 HydrophobicContact CG-CG1 4.32Å
346	E	81.5	Confident	80.9	Confident	57 Å²	57	62.2 Å²	62.2	27%	0.266	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-46.4	171.2	-75.5	169	-149.9	0	0	111.4	L342 W344 R348 T349 V350 K357	L342-E346 PolarHBondContact O-N 3.24Å; W344-E346 VanDerWaalsContact C-N 3.34Å; E346-R348 VanDerWaalsContact C-N 3.26Å; E346-R348 PolarHBondContact O-N 3.23Å; E346-T349 PolarHBondContact O-N 3.04Å; E346-V350 PolarHBondContact O-N 3.43Å; E346-K357 IonicContact OE1-NZ 2.74Å; E346-K357 PolarHBondContact OE1-NZ 3.15Å; E346-K357 WeakPolarHBondContact OE2-CG 3.19Å; E346-K357 IonicContact OE2-NZ 2.73Å; E346-K357 PolarHBondContact OE2-NZ 3.22Å
347	K	83	Confident	80.5	Confident	57 Å²	57	63.9 Å²	63.9	25%	0.248	32%	0.324	C	S	.	.	H	α-helix	trans	-56.1	-37.3	178.7	-160.6	-150.9	179	-142.6	0	112.8	A343 W344 I353 I361 E394	A343-K347 WeakPolarHBondContact O-CB 3.45Å; A343-K347 PolarHBondContact O-N 3.17Å; W344-K347 HydrophobicContact CE3-CD 4.22Å; W344-K347 HydrophobicContact CZ3-CD 4.07Å; W344-K347 PolarHBondContact O-N 3.49Å; K347-I353 HydrophobicContact CB-CD1 3.81Å; K347-I353 HydrophobicContact CG-CD1 4.24Å; K347-I361 HydrophobicContact CB-CD1 4.3Å; K347-I361 HydrophobicContact CD-CD1 4.5Å; K347-E394 WeakPolarHBondContact CE-OE1 3.37Å; K347-E394 IonicContact NZ-OE1 2.67Å; K347-E394 PolarHBondContact NZ-OE1 3.41Å; K347-E394 IonicContact NZ-OE2 2.67Å
348	R	76.2	Confident	80.3	Confident	48 Å²	48	66.7 Å²	66.7	18%	0.181	34%	0.338	C	S	.	.	H	α-helix	trans	-87.5	-5.1	178.5	-98.3	-172.2	166	-170.8	-6.5	115	E126 W344 L345 E346 E381 I384 L391 V392	E126-R348 IonicContact OE1-CZ 3.87Å; E126-R348 IonicContact OE1-NH2 2.7Å; E126-R348 PolarHBondContact OE1-NH2 3.1Å; W344-R348 PolarHBondContact O-N 3.36Å; L345-R348 PolarHBondContact O-N 2.84Å; E346-R348 VanDerWaalsContact C-N 3.26Å; E346-R348 PolarHBondContact O-N 3.23Å; R348-E381 IonicContact NH1-OE1 2.81Å; R348-E381 PolarHBondContact NH1-OE1 2.83Å; R348-I384 HydrophobicContact CB-CD1 4.08Å; R348-L391 HydrophobicContact CB-CD2 4.02Å; R348-L391 HydrophobicContact CG-CD2 4.25Å; R348-L391 WeakPolarHBondContact O-CA 3.39Å; R348-V392 PolarHBondContact O-N 2.85Å
349	T	73.5	Confident	80.2	Confident	36 Å²	36	64.2 Å²	64.2	22%	0.221	34%	0.338	C	S	.	.	H	α-helix	trans	-124.6	-18.6	-177.4	57.1	0	0	0	0	115.2	L345 E346 I384 L389	L345-T349 WeakPolarHBondContact O-CB 3.26Å; L345-T349 WeakPolarHBondContact O-CG2 3.33Å; L345-T349 PolarHBondContact O-N 3.23Å; L345-T349 PolarHBondContact O-OG1 3.45Å; E346-T349 PolarHBondContact O-N 3.04Å; T349-I384 HydrophobicContact CG2-CD1 4Å; T349-I384 HydrophobicContact CG2-CG1 3.92Å; T349-L389 HydrophobicContact CG2-CB 4.03Å; T349-L389 HydrophobicContact CG2-CD1 4.23Å
350	V	76.9	Confident	80.1	Confident	72 Å²	72	62.4 Å²	62.4	44%	0.436	33%	0.331	S	S	.	.			trans	-120	122.7	-178.8	-173.8	0	0	0	0	109.4	E346 N352	E346-V350 PolarHBondContact O-N 3.43Å; V350-N352 VanDerWaalsContact C-N 3.26Å; V350-N352 WeakPolarHBondContact CG1-O 3.3Å; V350-N352 PolarHBondContact O-N 3.24Å
351	K	60.6	Low	79.8	Confident	184 Å²	184	63 Å²	63	80%	0.8	33%	0.334	S	S	*	.	S	Bend	trans	-58.1	-35.3	-178.1	-81.3	-170.3	171	-171.1	0	113.7	V392	K351-V392 HydrophobicContact CG-CG1 3.88Å; K351-V392 HydrophobicContact CG-CG2 4.13Å
352	N	69.1	Low	79.7	Confident	150 Å²	150	64.8 Å²	64.8	80%	0.802	34%	0.344	S	S	*	.	S	Bend	trans	-118.4	99.5	179.7	-66.3	-6.7	0	0	0	109.6	V350	V350-N352 VanDerWaalsContact C-N 3.26Å; V350-N352 WeakPolarHBondContact CG1-O 3.3Å; V350-N352 PolarHBondContact O-N 3.24Å
353	I	71.4	Confident	79.7	Confident	37 Å²	37	65.9 Å²	65.9	19%	0.19	35%	0.345	C	S	.	.			trans	-82.3	146.9	174.3	-177.8	165	0	0	0	110.8	A343 K347 K357 L358 I361	A343-I353 WeakPolarHBondContact O-CD1 3.39Å; K347-I353 HydrophobicContact CB-CD1 3.81Å; K347-I353 HydrophobicContact CG-CD1 4.24Å; I353-K357 HydrophobicContact CD1-CB 3.81Å; I353-K357 HydrophobicContact CG1-CB 3.66Å; I353-L358 HydrophobicContact CG1-CG 4.48Å; I353-L358 HydrophobicContact CG2-CD1 3.97Å; I353-L358 HydrophobicContact CG2-CD2 3.81Å; I353-L358 HydrophobicContact CG2-CG 3.76Å; I353-I361 HydrophobicContact CD1-CD1 3.91Å
354	S	79	Confident	79.5	Confident	56 Å²	56	65.9 Å²	65.9	39%	0.392	35%	0.345	S	S	.	.			trans	-72.3	151.9	179.4	75	0	0	0	0	112.6	E356 K357 L358	S354-E356 VanDerWaalsContact C-N 3.26Å; S354-E356 PolarHBondContact O-N 3.23Å; S354-K357 PolarHBondContact O-N 3.44Å; S354-K357 VanDerWaalsContact O-N 3.09Å; S354-K357 VanDerWaalsContact OG-CG 3.28Å; S354-K357 WeakPolarHBondContact OG-CG 2.95Å; S354-K357 PolarHBondContact OG-N 2.96Å; S354-L358 PolarHBondContact O-N 3.34Å
355	S	79.4	Confident	79.4	Confident	101 Å²	101	66.9 Å²	66.9	71%	0.706	35%	0.351	S	S	*	.	H	α-helix	trans	-58.1	-36.9	177.5	49	0	0	0	0	112.8	L358 A359	S355-L358 PolarHBondContact O-N 2.73Å; S355-A359 WeakPolarHBondContact O-CB 3.44Å; S355-A359 PolarHBondContact O-N 3.09Å
356	E	81	Confident	79.2	Confident	137 Å²	137	72 Å²	72	64%	0.64	37%	0.372	S	S	*	.	H	α-helix	trans	-59.9	-44.3	173.8	-175.4	-178.9	-151.8	0	0	112.1	S354 A359 I360	S354-E356 VanDerWaalsContact C-N 3.26Å; S354-E356 PolarHBondContact O-N 3.23Å; E356-A359 PolarHBondContact O-N 2.72Å; E356-I360 HydrophobicContact CG-CD1 4.48Å; E356-I360 WeakPolarHBondContact O-CG1 3.43Å; E356-I360 PolarHBondContact O-N 3.06Å
357	K	81.4	Confident	79.2	Confident	50 Å²	50	75.5 Å²	75.5	22%	0.217	39%	0.389	C	S	.	.	H	α-helix	trans	-71.3	-33.8	179	-64.5	-76.8	175.9	72.3	0	112	A343 E346 I353 S354 I360 I361	A343-K357 HydrophobicContact CB-CB 4.1Å; A343-K357 HydrophobicContact CB-CD 3.95Å; E346-K357 IonicContact OE1-NZ 2.74Å; E346-K357 PolarHBondContact OE1-NZ 3.15Å; E346-K357 WeakPolarHBondContact OE2-CG 3.19Å; E346-K357 IonicContact OE2-NZ 2.73Å; E346-K357 PolarHBondContact OE2-NZ 3.22Å; I353-K357 HydrophobicContact CD1-CB 3.81Å; I353-K357 HydrophobicContact CG1-CB 3.66Å; S354-K357 PolarHBondContact O-N 3.44Å; S354-K357 VanDerWaalsContact O-N 3.09Å; S354-K357 VanDerWaalsContact OG-CG 3.28Å; S354-K357 WeakPolarHBondContact OG-CG 2.95Å; S354-K357 PolarHBondContact OG-N 2.96Å; K357-I360 HydrophobicContact CD-CD1 4.37Å; K357-I360 WeakPolarHBondContact O-CB 3.47Å; K357-I360 PolarHBondContact O-N 2.89Å; K357-I361 WeakPolarHBondContact O-CG1 3.39Å; K357-I361 PolarHBondContact O-N 3.27Å
358	L	81	Confident	79.2	Confident	81 Å²	81	72.9 Å²	72.9	42%	0.424	38%	0.378	S	S	.	.	H	α-helix	trans	-65	-40.5	170	-74.4	170	0	0	0	112.5	I353 S354 S355 I360 I361 D362	I353-L358 HydrophobicContact CG1-CG 4.48Å; I353-L358 HydrophobicContact CG2-CD1 3.97Å; I353-L358 HydrophobicContact CG2-CD2 3.81Å; I353-L358 HydrophobicContact CG2-CG 3.76Å; S354-L358 PolarHBondContact O-N 3.34Å; S355-L358 PolarHBondContact O-N 2.73Å; L358-I360 VanDerWaalsContact C-N 3.33Å; L358-I360 PolarHBondContact O-N 3.47Å; L358-I361 WeakPolarHBondContact O-CB 2.61Å; L358-I361 PolarHBondContact O-N 2.99Å; L358-D362 PolarHBondContact O-N 2.85Å; L358-D362 VanDerWaalsContact O-N 3.08Å
359	A	83.8	Confident	79.3	Confident	62 Å²	62	74.5 Å²	74.5	51%	0.512	39%	0.39	S	S	.	.	H	α-helix	trans	-65.3	-36.1	175.1	0	0	0	0	0	112.2	S355 E356 K363	S355-A359 WeakPolarHBondContact O-CB 3.44Å; S355-A359 PolarHBondContact O-N 3.09Å; E356-A359 PolarHBondContact O-N 2.72Å; A359-K363 WeakPolarHBondContact O-CB 3.18Å; A359-K363 PolarHBondContact O-N 2.76Å; A359-K363 VanDerWaalsContact O-N 3.09Å
360	I	85.8	Confident	79.3	Confident	28 Å²	28	74.5 Å²	74.5	14%	0.144	39%	0.39	C	S	.	.	H	α-helix	trans	-61.3	-43.5	170.4	-73.7	166.1	0	0	0	111	Q339 A343 E356 K357 L358 A364	Q339-I360 HydrophobicContact CB-CG2 3.81Å; A343-I360 HydrophobicContact CB-CG2 4.17Å; E356-I360 HydrophobicContact CG-CD1 4.48Å; E356-I360 WeakPolarHBondContact O-CG1 3.43Å; E356-I360 PolarHBondContact O-N 3.06Å; K357-I360 HydrophobicContact CD-CD1 4.37Å; K357-I360 WeakPolarHBondContact O-CB 3.47Å; K357-I360 PolarHBondContact O-N 2.89Å; L358-I360 VanDerWaalsContact C-N 3.33Å; L358-I360 PolarHBondContact O-N 3.47Å; I360-A364 WeakPolarHBondContact O-CB 3.33Å; I360-A364 PolarHBondContact O-N 3.05Å
361	I	84.8	Confident	79	Confident	14 Å²	14	78 Å²	78	7%	0.072	40%	0.399	C	S	.	.	H	α-helix	trans	-61.3	-52.5	178.8	-75.1	166.8	0	0	0	111.9	Y340 A343 K347 I353 K357 L358 K363 A364 E365	Y340-I361 HydrophobicContact CD2-CG1 4.21Å; Y340-I361 HydrophobicContact CE2-CB 4.36Å; Y340-I361 HydrophobicContact CE2-CG1 4.16Å; Y340-I361 HydrophobicContact CE2-CG2 4.16Å; A343-I361 HydrophobicContact CB-CD1 4.02Å; A343-I361 HydrophobicContact CB-CG1 3.84Å; K347-I361 HydrophobicContact CB-CD1 4.3Å; K347-I361 HydrophobicContact CD-CD1 4.5Å; I353-I361 HydrophobicContact CD1-CD1 3.91Å; K357-I361 WeakPolarHBondContact O-CG1 3.39Å; K357-I361 PolarHBondContact O-N 3.27Å; L358-I361 WeakPolarHBondContact O-CB 2.61Å; L358-I361 PolarHBondContact O-N 2.99Å; I361-K363 PolarHBondContact O-N 2.76Å; I361-A364 PolarHBondContact O-N 2.91Å; I361-E365 WeakPolarHBondContact O-CB 3.33Å; I361-E365 WeakPolarHBondContact O-CG 3.32Å; I361-E365 PolarHBondContact O-N 3.44Å
362	D	82.5	Confident	79.9	Confident	68 Å²	68	71 Å²	71	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-65.1	-39.1	-179.8	172.4	70.1	0	0	0	112.4	L358 A364 E365 K366	L358-D362 PolarHBondContact O-N 2.85Å; L358-D362 VanDerWaalsContact O-N 3.08Å; D362-A364 PolarHBondContact O-N 3Å; D362-E365 PolarHBondContact O-N 3.12Å; D362-K366 VanDerWaalsContact CG-NZ 3.29Å; D362-K366 WeakPolarHBondContact O-CG 3.33Å; D362-K366 PolarHBondContact O-N 2.76Å; D362-K366 WeakPolarHBondContact OD1-CE 3.4Å; D362-K366 IonicContact OD1-NZ 2.74Å; D362-K366 PolarHBondContact OD1-NZ 3.4Å; D362-K366 VanDerWaalsContact OD1-NZ 3.14Å; D362-K366 WeakPolarHBondContact OD2-CE 3.49Å; D362-K366 IonicContact OD2-NZ 2.67Å; D362-K366 PolarHBondContact OD2-NZ 2.84Å
363	K	85.2	Confident	80.6	Confident	112 Å²	112	63.8 Å²	63.8	49%	0.487	33%	0.332	S	S	.	.	H	α-helix	trans	-61	-42.9	173.6	-177.9	-178.3	179.2	-176.3	0	112.1	L336 A359 I361 Q367	L336-K363 HydrophobicContact CD1-CG 4.5Å; A359-K363 WeakPolarHBondContact O-CB 3.18Å; A359-K363 PolarHBondContact O-N 2.76Å; A359-K363 VanDerWaalsContact O-N 3.09Å; I361-K363 PolarHBondContact O-N 2.76Å; K363-Q367 WeakPolarHBondContact O-CG 3.28Å; K363-Q367 PolarHBondContact O-N 2.92Å; K363-Q367 VanDerWaalsContact O-N 3.13Å
364	A	84.4	Confident	81	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-69.9	-43.3	177.7	0	0	0	0	0	112.2	L336 Y340 I360 I361 D362 K366 Q367 L368	L336-A364 HydrophobicContact CD1-CB 4.02Å; L336-A364 HydrophobicContact CG-CB 4.1Å; Y340-A364 HydrophobicContact CD2-CB 3.41Å; Y340-A364 VanDerWaalsContact CD2-CB 3.41Å; Y340-A364 HydrophobicContact CE2-CB 4.18Å; Y340-A364 HydrophobicContact CG-CB 3.84Å; I360-A364 WeakPolarHBondContact O-CB 3.33Å; I360-A364 PolarHBondContact O-N 3.05Å; I361-A364 PolarHBondContact O-N 2.91Å; D362-A364 PolarHBondContact O-N 3Å; A364-K366 PolarHBondContact O-N 3.42Å; A364-Q367 PolarHBondContact O-N 3.11Å; A364-Q367 VanDerWaalsContact O-N 3.13Å; A364-L368 HydrophobicContact CB-CD1 4Å; A364-L368 HydrophobicContact CB-CG 4.43Å; A364-L368 WeakPolarHBondContact O-CB 3.43Å; A364-L368 WeakPolarHBondContact O-CG 3.31Å; A364-L368 PolarHBondContact O-N 2.71Å
365	E	82.8	Confident	81.1	Confident	40 Å²	40	63.7 Å²	63.7	19%	0.187	33%	0.327	C	S	.	.	H	α-helix	trans	-68	-22.8	178.4	-73.4	-176	-173.2	0	0	113.1	K114 Y340 I361 D362 L373 R377	K114-E365 WeakPolarHBondContact CE-O 3.37Å; K114-E365 PolarHBondContact NZ-O 2.85Å; Y340-E365 HydrophobicContact CE2-CG 3.77Å; Y340-E365 PolarHBondContact OH-OE1 3.15Å; I361-E365 WeakPolarHBondContact O-CB 3.33Å; I361-E365 WeakPolarHBondContact O-CG 3.32Å; I361-E365 PolarHBondContact O-N 3.44Å; D362-E365 PolarHBondContact O-N 3.12Å; E365-L373 HydrophobicContact CG-CD1 4.43Å; E365-L373 HydrophobicContact CG-CD2 3.97Å; E365-R377 IonicContact OE1-CZ 2.97Å; E365-R377 IonicContact OE1-NH2 2.75Å; E365-R377 PolarHBondContact OE1-NH2 3.45Å; E365-R377 IonicContact OE2-NH2 3.94Å
366	K	79.7	Confident	81.2	Confident	121 Å²	121	58.9 Å²	58.9	53%	0.526	29%	0.293	S	S	.	.	H	α-helix	trans	-72.4	-50.7	165.4	-73.4	164.6	180	166.6	0	111.7	K114 D362 A364	K114-K366 PolarHBondContact NZ-O 2.69Å; D362-K366 VanDerWaalsContact CG-NZ 3.29Å; D362-K366 WeakPolarHBondContact O-CG 3.33Å; D362-K366 PolarHBondContact O-N 2.76Å; D362-K366 WeakPolarHBondContact OD1-CE 3.4Å; D362-K366 IonicContact OD1-NZ 2.74Å; D362-K366 PolarHBondContact OD1-NZ 3.4Å; D362-K366 VanDerWaalsContact OD1-NZ 3.14Å; D362-K366 WeakPolarHBondContact OD2-CE 3.49Å; D362-K366 IonicContact OD2-NZ 2.67Å; D362-K366 PolarHBondContact OD2-NZ 2.84Å; A364-K366 PolarHBondContact O-N 3.42Å
367	Q	81.2	Confident	81.4	Confident	132 Å²	132	53.2 Å²	53.2	62%	0.617	27%	0.266	S	S	*	.	H	α-helix	trans	-89.3	-28.9	-167.1	-65	-175.8	3.7	0	0	116.8	L336 K363 A364	L336-Q367 HydrophobicContact CD2-CB 3.88Å; K363-Q367 WeakPolarHBondContact O-CG 3.28Å; K363-Q367 PolarHBondContact O-N 2.92Å; K363-Q367 VanDerWaalsContact O-N 3.13Å; A364-Q367 PolarHBondContact O-N 3.11Å; A364-Q367 VanDerWaalsContact O-N 3.13Å
368	L	82.9	Confident	81.2	Confident	2 Å²	2	55 Å²	55	1%	0.01	28%	0.275	C	S	.	.	S	Bend	trans	-86.8	148.6	179.6	-58.7	178.6	0	0	0	111	K114 L336 V337 Y340 A364 L373	K114-L368 WeakPolarHBondContact CE-O 3.3Å; K114-L368 PolarHBondContact NZ-O 3.1Å; L336-L368 HydrophobicContact CD2-CD2 4.06Å; L336-L368 HydrophobicContact CD2-CG 4.18Å; L336-L368 HydrophobicContact CG-CD1 4.5Å; L336-L368 HydrophobicContact CG-CD2 4.35Å; L336-L368 HydrophobicContact CG-CG 4.4Å; V337-L368 HydrophobicContact CG2-CD1 3.86Å; V337-L368 HydrophobicContact CG2-CD2 3.69Å; V337-L368 HydrophobicContact CG2-CG 4.44Å; Y340-L368 HydrophobicContact CG-CD1 4.48Å; A364-L368 HydrophobicContact CB-CD1 4Å; A364-L368 HydrophobicContact CB-CG 4.43Å; A364-L368 WeakPolarHBondContact O-CB 3.43Å; A364-L368 WeakPolarHBondContact O-CG 3.31Å; A364-L368 PolarHBondContact O-N 2.71Å; L368-L373 HydrophobicContact CB-CD2 3.93Å; L368-L373 HydrophobicContact CB-CG 3.91Å; L368-L373 HydrophobicContact CD1-CD2 4.03Å
369	D	78.8	Confident	81.2	Confident	81 Å²	81	55 Å²	55	43%	0.433	27%	0.273	S	S	.	.			trans	-78.7	166.8	174.4	61.6	39.6	0	0	0	112.8	F371 N372 L373	D369-F371 PolarHBondContact O-N 2.83Å; D369-F371 PolarHBondContact OD1-N 3.27Å; D369-N372 VanDerWaalsContact CG-ND2 3.31Å; D369-N372 PolarHBondContact O-N 2.57Å; D369-N372 WeakPolarHBondContact OD1-CB 3.41Å; D369-N372 PolarHBondContact OD1-N 2.82Å; D369-N372 PolarHBondContact OD1-ND2 2.81Å; D369-N372 PolarHBondContact OD2-ND2 3.31Å; D369-L373 WeakPolarHBondContact O-CB 3.44Å; D369-L373 VanDerWaalsContact O-CG 3.27Å; D369-L373 WeakPolarHBondContact O-CG 3.11Å; D369-L373 PolarHBondContact O-N 2.85Å
370	V	72.7	Confident	81.1	Confident	37 Å²	37	52.1 Å²	52.1	22%	0.224	25%	0.248	C	C	.	.	H	α-helix	trans	-57.2	-35.2	-178.1	177.9	0	0	0	0	111.7	K114 L118 I121 I374	K114-V370 HydrophobicContact CG-CG2 3.76Å; L118-V370 HydrophobicContact CD2-CG1 4.29Å; L118-V370 HydrophobicContact CG-CG1 4.29Å; I121-V370 HydrophobicContact CD1-CG1 4.39Å; V370-I374 HydrophobicContact CG1-CD1 3.64Å; V370-I374 HydrophobicContact CG1-CG1 4.35Å; V370-I374 WeakPolarHBondContact O-CB 3.23Å; V370-I374 WeakPolarHBondContact O-CD1 3.29Å; V370-I374 WeakPolarHBondContact O-CG1 3.47Å; V370-I374 PolarHBondContact O-N 3.31Å
371	F	72.4	Confident	80.6	Confident	144 Å²	144	53 Å²	53	63%	0.632	25%	0.252	S	S	*	.	H	α-helix	trans	-68.1	-48.5	-179.8	177.9	-102.8	0	0	0	112.1	D369 I374 I375	D369-F371 PolarHBondContact O-N 2.83Å; D369-F371 PolarHBondContact OD1-N 3.27Å; F371-I374 PolarHBondContact O-N 2.83Å; F371-I375 HydrophobicContact CD1-CD1 3.94Å; F371-I375 HydrophobicContact CD2-CD1 4.47Å; F371-I375 HydrophobicContact CE1-CD1 3.44Å; F371-I375 VanDerWaalsContact CE1-CD1 3.44Å; F371-I375 HydrophobicContact CE2-CD1 4.02Å; F371-I375 HydrophobicContact CG-CD1 4.44Å; F371-I375 HydrophobicContact CZ-CD1 3.49Å; F371-I375 VanDerWaalsContact CZ-CD1 3.49Å; F371-I375 WeakPolarHBondContact O-CG1 3.34Å; F371-I375 PolarHBondContact O-N 2.79Å
372	N	79	Confident	80.1	Confident	37 Å²	37	57 Å²	57	20%	0.198	27%	0.273	C	S	.	.	H	α-helix	trans	-66.4	-37.2	176.7	-75.8	-76.6	0	0	0	112.1	D369 I375 A376	D369-N372 VanDerWaalsContact CG-ND2 3.31Å; D369-N372 PolarHBondContact O-N 2.57Å; D369-N372 WeakPolarHBondContact OD1-CB 3.41Å; D369-N372 PolarHBondContact OD1-N 2.82Å; D369-N372 PolarHBondContact OD1-ND2 2.81Å; D369-N372 PolarHBondContact OD2-ND2 3.31Å; N372-I375 PolarHBondContact O-N 3.08Å; N372-A376 WeakPolarHBondContact O-CB 3.5Å; N372-A376 PolarHBondContact O-N 2.7Å
373	L	82.7	Confident	79.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.3	-46.2	173.3	-68.8	168.2	0	0	0	111.1	L118 Y340 E365 L368 D369 I375 A376 R377	L118-L373 HydrophobicContact CD1-CD1 3.91Å; L118-L373 HydrophobicContact CD2-CB 4.34Å; Y340-L373 HydrophobicContact CD1-CD2 3.97Å; Y340-L373 HydrophobicContact CE1-CD2 3.47Å; Y340-L373 VanDerWaalsContact CE1-CD2 3.47Å; Y340-L373 HydrophobicContact CE2-CD2 4.09Å; Y340-L373 HydrophobicContact CG-CD2 4.47Å; E365-L373 HydrophobicContact CG-CD1 4.43Å; E365-L373 HydrophobicContact CG-CD2 3.97Å; L368-L373 HydrophobicContact CB-CD2 3.93Å; L368-L373 HydrophobicContact CB-CG 3.91Å; L368-L373 HydrophobicContact CD1-CD2 4.03Å; D369-L373 WeakPolarHBondContact O-CB 3.44Å; D369-L373 VanDerWaalsContact O-CG 3.27Å; D369-L373 WeakPolarHBondContact O-CG 3.11Å; D369-L373 PolarHBondContact O-N 2.85Å; L373-I375 PolarHBondContact O-N 2.96Å; L373-A376 PolarHBondContact O-N 3.35Å; L373-R377 WeakPolarHBondContact O-CB 3.17Å; L373-R377 VanDerWaalsContact O-CG 3.3Å; L373-R377 WeakPolarHBondContact O-CG 3.2Å; L373-R377 PolarHBondContact O-N 3.4Å
374	I	80.5	Confident	79.3	Confident	35 Å²	35	51 Å²	51	18%	0.179	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-42.8	175.9	-72.4	166.2	0	0	0	111.5	L118 I121 V370 F371 R377 Q378	L118-I374 HydrophobicContact CD2-CG1 4.2Å; I121-I374 HydrophobicContact CD1-CD1 3.64Å; I121-I374 HydrophobicContact CG2-CD1 4.08Å; V370-I374 HydrophobicContact CG1-CD1 3.64Å; V370-I374 HydrophobicContact CG1-CG1 4.35Å; V370-I374 WeakPolarHBondContact O-CB 3.23Å; V370-I374 WeakPolarHBondContact O-CD1 3.29Å; V370-I374 WeakPolarHBondContact O-CG1 3.47Å; V370-I374 PolarHBondContact O-N 3.31Å; F371-I374 PolarHBondContact O-N 2.83Å; I374-R377 PolarHBondContact O-N 3.31Å; I374-Q378 HydrophobicContact CG2-CG 4.32Å; I374-Q378 WeakPolarHBondContact O-CB 3.39Å; I374-Q378 VanDerWaalsContact O-CG 3.26Å; I374-Q378 WeakPolarHBondContact O-CG 3.37Å; I374-Q378 PolarHBondContact O-N 3.06Å
375	I	80.3	Confident	78.7	Confident	56 Å²	56	59.3 Å²	59.3	29%	0.287	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-47.2	177.7	-73.9	175.8	0	0	0	111	F371 N372 L373 R377 Q378 Q379	F371-I375 HydrophobicContact CD1-CD1 3.94Å; F371-I375 HydrophobicContact CD2-CD1 4.47Å; F371-I375 HydrophobicContact CE1-CD1 3.44Å; F371-I375 VanDerWaalsContact CE1-CD1 3.44Å; F371-I375 HydrophobicContact CE2-CD1 4.02Å; F371-I375 HydrophobicContact CG-CD1 4.44Å; F371-I375 HydrophobicContact CZ-CD1 3.49Å; F371-I375 VanDerWaalsContact CZ-CD1 3.49Å; F371-I375 WeakPolarHBondContact O-CG1 3.34Å; F371-I375 PolarHBondContact O-N 2.79Å; N372-I375 PolarHBondContact O-N 3.08Å; L373-I375 PolarHBondContact O-N 2.96Å; I375-R377 PolarHBondContact O-N 2.75Å; I375-Q378 PolarHBondContact O-N 3.47Å; I375-Q379 HydrophobicContact CG2-CG 4.31Å; I375-Q379 WeakPolarHBondContact O-CB 2.99Å; I375-Q379 VanDerWaalsContact O-CG 3.31Å; I375-Q379 WeakPolarHBondContact O-CG 3.26Å; I375-Q379 PolarHBondContact O-N 3.44Å
376	A	82.4	Confident	78.2	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-41.5	178.9	0	0	0	0	0	112.2	V337 Y340 E341 N372 L373 Q379 A380	V337-A376 HydrophobicContact CG1-CB 4.39Å; Y340-A376 HydrophobicContact CD1-CB 3.72Å; Y340-A376 HydrophobicContact CE1-CB 4.24Å; E341-A376 HydrophobicContact CB-CB 4.47Å; N372-A376 WeakPolarHBondContact O-CB 3.5Å; N372-A376 PolarHBondContact O-N 2.7Å; L373-A376 PolarHBondContact O-N 3.35Å; A376-Q379 PolarHBondContact O-N 3.37Å; A376-A380 PolarHBondContact O-N 3.11Å
377	R	85.6	Confident	77.8	Confident	17 Å²	17	69.5 Å²	69.5	6%	0.064	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-41.7	173.3	-68.3	-173.9	-177.5	-178.7	1.3	111.4	E122 Y340 W344 E365 L373 I374 I375 A380 E381	E122-R377 IonicContact OE1-CZ 2.69Å; E122-R377 IonicContact OE1-NH1 2.67Å; E122-R377 PolarHBondContact OE1-NH1 3.45Å; E122-R377 IonicContact OE2-NH1 2.66Å; E122-R377 PolarHBondContact OE2-NH1 2.91Å; Y340-R377 HydrophobicContact CE1-CG 4.09Å; Y340-R377 PolarHBondContact OH-NE 2.83Å; Y340-R377 PolarHBondContact OH-NH2 2.78Å; W344-R377 HydrophobicContact CD2-CG 3.96Å; W344-R377 HydrophobicContact CG-CG 4.1Å; W344-R377 HydrophobicContact CZ2-CG 4.18Å; E365-R377 IonicContact OE1-CZ 2.97Å; E365-R377 IonicContact OE1-NH2 2.75Å; E365-R377 PolarHBondContact OE1-NH2 3.45Å; E365-R377 IonicContact OE2-NH2 3.94Å; L373-R377 WeakPolarHBondContact O-CB 3.17Å; L373-R377 VanDerWaalsContact O-CG 3.3Å; L373-R377 WeakPolarHBondContact O-CG 3.2Å; L373-R377 PolarHBondContact O-N 3.4Å; I374-R377 PolarHBondContact O-N 3.31Å; I375-R377 PolarHBondContact O-N 2.75Å; R377-A380 PolarHBondContact O-N 3.41Å; R377-E381 WeakPolarHBondContact O-CG 3.35Å; R377-E381 PolarHBondContact O-N 2.97Å
378	Q	77.5	Confident	76.8	Confident	87 Å²	87	66.5 Å²	66.5	41%	0.407	32%	0.319	S	S	.	.	H	α-helix	trans	-66.2	-36.8	175	-76.2	-177.6	26.3	0	0	113.1	I374 I375 E381 L382	I374-Q378 HydrophobicContact CG2-CG 4.32Å; I374-Q378 WeakPolarHBondContact O-CB 3.39Å; I374-Q378 VanDerWaalsContact O-CG 3.26Å; I374-Q378 WeakPolarHBondContact O-CG 3.37Å; I374-Q378 PolarHBondContact O-N 3.06Å; I375-Q378 PolarHBondContact O-N 3.47Å; Q378-E381 PolarHBondContact O-N 3.12Å; Q378-L382 WeakPolarHBondContact O-CB 3.31Å; Q378-L382 PolarHBondContact O-N 3.19Å
379	Q	80.6	Confident	76.2	Confident	83 Å²	83	69.7 Å²	69.7	39%	0.388	34%	0.336	S	S	.	.	H	α-helix	trans	-66.6	-42.4	175.5	-75.1	172.8	-33.5	0	0	111	E341 I375 A376 L382 Q383	E341-Q379 HydrophobicContact CG-CB 4.33Å; E341-Q379 WeakPolarHBondContact OE1-CB 3.47Å; I375-Q379 HydrophobicContact CG2-CG 4.31Å; I375-Q379 WeakPolarHBondContact O-CB 2.99Å; I375-Q379 VanDerWaalsContact O-CG 3.31Å; I375-Q379 WeakPolarHBondContact O-CG 3.26Å; I375-Q379 PolarHBondContact O-N 3.44Å; A376-Q379 PolarHBondContact O-N 3.37Å; Q379-L382 CarbonylContact O-C 3.43Å; Q379-L382 WeakPolarHBondContact O-CB 3.42Å; Q379-L382 PolarHBondContact O-N 2.84Å; Q379-Q383 WeakPolarHBondContact O-CG 3.45Å; Q379-Q383 PolarHBondContact O-N 3.36Å
380	A	80.8	Confident	75.1	Confident	0 Å²	0	75 Å²	75	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-60.9	-44.3	170.7	0	0	0	0	0	112.4	L345 A376 R377 L382 Q383 I384	L345-A380 HydrophobicContact CB-CB 4.07Å; L345-A380 HydrophobicContact CD1-CB 4.49Å; A376-A380 PolarHBondContact O-N 3.11Å; R377-A380 PolarHBondContact O-N 3.41Å; A380-L382 VanDerWaalsContact C-N 3.3Å; A380-L382 PolarHBondContact O-N 2.71Å; A380-Q383 PolarHBondContact O-N 2.96Å; A380-I384 VanDerWaalsContact O-CG1 3.3Å; A380-I384 WeakPolarHBondContact O-CG1 3.06Å; A380-I384 PolarHBondContact O-N 3.49Å
381	E	76.2	Confident	74.2	Confident	46 Å²	46	78.1 Å²	78.1	22%	0.215	37%	0.369	C	S	.	.	H	α-helix	trans	-58.1	-39.9	172.5	-73.9	178.9	155.9	0	0	112.1	K125 R348 R377 Q378 K385	K125-E381 IonicContact NZ-OE1 2.97Å; K125-E381 IonicContact NZ-OE2 2.69Å; K125-E381 PolarHBondContact NZ-OE2 3.4Å; R348-E381 IonicContact NH1-OE1 2.81Å; R348-E381 PolarHBondContact NH1-OE1 2.83Å; R377-E381 WeakPolarHBondContact O-CG 3.35Å; R377-E381 PolarHBondContact O-N 2.97Å; Q378-E381 PolarHBondContact O-N 3.12Å; E381-K385 WeakPolarHBondContact O-CG 3.39Å; E381-K385 PolarHBondContact O-N 3.16Å
382	L	73.5	Confident	73.3	Confident	99 Å²	99	73 Å²	73	52%	0.518	35%	0.35	S	S	.	.	H	α-helix	trans	-69.2	-37.6	175.9	-110.9	164.2	0	0	0	112.7	Q378 Q379 A380 R386	Q378-L382 WeakPolarHBondContact O-CB 3.31Å; Q378-L382 PolarHBondContact O-N 3.19Å; Q379-L382 CarbonylContact O-C 3.43Å; Q379-L382 WeakPolarHBondContact O-CB 3.42Å; Q379-L382 PolarHBondContact O-N 2.84Å; A380-L382 VanDerWaalsContact C-N 3.3Å; A380-L382 PolarHBondContact O-N 2.71Å; L382-R386 VanDerWaalsContact O-CB 3.28Å; L382-R386 WeakPolarHBondContact O-CB 3.08Å; L382-R386 WeakPolarHBondContact O-CG 2.92Å; L382-R386 PolarHBondContact O-N 3.45Å
383	Q	75.6	Confident	71.2	Confident	43 Å²	43	79.2 Å²	79.2	20%	0.201	38%	0.378	C	S	.	.	H	α-helix	trans	-66.1	-42.4	173.3	-73.8	-157	49.1	0	0	111.6	E341 L345 Q379 A380 R386 R387	E341-Q383 PolarHBondContact OE1-NE2 2.72Å; L345-Q383 HydrophobicContact CD1-CB 3.46Å; L345-Q383 VanDerWaalsContact CD1-CB 3.46Å; L345-Q383 HydrophobicContact CD1-CG 4.33Å; Q379-Q383 WeakPolarHBondContact O-CG 3.45Å; Q379-Q383 PolarHBondContact O-N 3.36Å; A380-Q383 PolarHBondContact O-N 2.96Å; Q383-R386 PolarHBondContact O-N 2.77Å; Q383-R387 WeakPolarHBondContact O-CB 3.47Å; Q383-R387 WeakPolarHBondContact O-CG 3.39Å; Q383-R387 PolarHBondContact O-N 3.29Å
384	I	76.6	Confident	68.8	Low	11 Å²	11	86.1 Å²	86.1	6%	0.056	41%	0.41	C	S	.	.	H	α-helix	trans	-59.6	-49.3	175.3	-71	165.6	0	0	0	110.1	L345 R348 T349 A380 R386 R387 G388 L389 L391	L345-I384 HydrophobicContact CD1-CG1 4.13Å; L345-I384 HydrophobicContact CG-CG1 4.32Å; R348-I384 HydrophobicContact CB-CD1 4.08Å; T349-I384 HydrophobicContact CG2-CD1 4Å; T349-I384 HydrophobicContact CG2-CG1 3.92Å; A380-I384 VanDerWaalsContact O-CG1 3.3Å; A380-I384 WeakPolarHBondContact O-CG1 3.06Å; A380-I384 PolarHBondContact O-N 3.49Å; I384-R386 PolarHBondContact O-N 3.42Å; I384-R387 PolarHBondContact O-N 2.76Å; I384-G388 PolarHBondContact O-N 3.25Å; I384-L389 HydrophobicContact CG2-CB 4.32Å; I384-L389 WeakPolarHBondContact CG2-O 3.49Å; I384-L389 PolarHBondContact O-N 3.22Å; I384-L391 HydrophobicContact CD1-CD2 3.98Å; I384-L391 HydrophobicContact CG2-CD2 4.14Å; I384-L391 HydrophobicContact CG2-CG 4.41Å
385	K	71.8	Confident	66.2	Low	175 Å²	175	93.4 Å²	93.4	76%	0.761	44%	0.443	S	S	*	.	H	α-helix	trans	-62.3	-39.2	175.7	-73.8	179	178.7	-178.7	0	113.2	E381	E381-K385 WeakPolarHBondContact O-CG 3.39Å; E381-K385 PolarHBondContact O-N 3.16Å
386	R	71.3	Confident	63.7	Low	216 Å²	216	93.6 Å²	93.6	82%	0.815	46%	0.46	S	S	*	.	H	α-helix	trans	-72.2	-23.7	177.2	-81.7	-179.7	164.3	-170.2	-5.4	114.3	L382 Q383 I384	L382-R386 VanDerWaalsContact O-CB 3.28Å; L382-R386 WeakPolarHBondContact O-CB 3.08Å; L382-R386 WeakPolarHBondContact O-CG 2.92Å; L382-R386 PolarHBondContact O-N 3.45Å; Q383-R386 PolarHBondContact O-N 2.77Å; I384-R386 PolarHBondContact O-N 3.42Å
387	R	72.3	Confident	61.2	Low	159 Å²	159	96.7 Å²	96.7	60%	0.6	49%	0.491	S	S	*	.	H	α-helix	trans	-103.8	-4.2	-178.6	-68.9	-179.2	176.9	165.3	3.3	114.3	Q383 I384 L389	Q383-R387 WeakPolarHBondContact O-CB 3.47Å; Q383-R387 WeakPolarHBondContact O-CG 3.39Å; Q383-R387 PolarHBondContact O-N 3.29Å; I384-R387 PolarHBondContact O-N 2.76Å; R387-L389 HydrophobicContact CB-CD1 3.9Å; R387-L389 HydrophobicContact CB-CG 3.77Å; R387-L389 PolarHBondContact O-N 3.24Å
388	G	60.3	Low	58.4	Low	68 Å²	68	104.9 Å²	104.9	70%	0.701	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	24.5	-178.2	0	0	0	0	0	114.2	I384	I384-G388 PolarHBondContact O-N 3.25Å
389	L	69.8	Low	56.1	Low	70 Å²	70	106.6 Å²	106.6	37%	0.366	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-74.4	135.6	-175.6	-64.4	169.9	0	0	0	110.8	T349 I384 R387	T349-L389 HydrophobicContact CG2-CB 4.03Å; T349-L389 HydrophobicContact CG2-CD1 4.23Å; I384-L389 HydrophobicContact CG2-CB 4.32Å; I384-L389 WeakPolarHBondContact CG2-O 3.49Å; I384-L389 PolarHBondContact O-N 3.22Å; R387-L389 HydrophobicContact CB-CD1 3.9Å; R387-L389 HydrophobicContact CB-CG 3.77Å; R387-L389 PolarHBondContact O-N 3.24Å
390	K	54.7	Low	53.8	Low	192 Å²	192	106.9 Å²	106.9	84%	0.835	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-71.2	137.6	174.1	-68	-173.2	177.5	-176.3	0	110.2
391	L	53.5	Low	51.4	Low	102 Å²	102	114.8 Å²	114.8	53%	0.534	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-78.2	148.4	173.8	-72.2	167.4	0	0	0	110.9	R348 I384	R348-L391 HydrophobicContact CB-CD2 4.02Å; R348-L391 HydrophobicContact CG-CD2 4.25Å; R348-L391 WeakPolarHBondContact O-CA 3.39Å; I384-L391 HydrophobicContact CD1-CD2 3.98Å; I384-L391 HydrophobicContact CG2-CD2 4.14Å; I384-L391 HydrophobicContact CG2-CG 4.41Å
392	V	54.5	Low	49.5	Very low	37 Å²	37	115.1 Å²	115.1	22%	0.224	58%	0.578	C	S	.	*	P	Polyproline II helix	trans	-86.1	127.6	166.2	179.1	0	0	0	0	109.1	R348 K351	R348-V392 PolarHBondContact O-N 2.85Å; K351-V392 HydrophobicContact CG-CG1 3.88Å; K351-V392 HydrophobicContact CG-CG2 4.13Å
393	E	35.3	Very low	47.7	Very low	168 Å²	168	115.2 Å²	115.2	79%	0.785	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-78.3	118.3	174.7	-61.6	179.1	138	0	0	110.5	Q395	E393-Q395 PolarHBondContact O-N 3.24Å; E393-Q395 VanDerWaalsContact O-N 3.1Å
394	E	31.7	Very low	45.7	Very low	144 Å²	144	116 Å²	116	67%	0.673	60%	0.602	S	S	*	*			trans	-77.4	93	175.7	-74.6	-168.2	151.9	0	0	111.1	K347 G396	K347-E394 WeakPolarHBondContact CE-OE1 3.37Å; K347-E394 IonicContact NZ-OE1 2.67Å; K347-E394 PolarHBondContact NZ-OE1 3.41Å; K347-E394 IonicContact NZ-OE2 2.67Å; E394-G396 PolarHBondContact O-N 2.94Å
395	Q	25.4	Very low	43.5	Very low	188 Å²	188	124.1 Å²	124.1	88%	0.879	63%	0.632	S	S	*	*			trans	-71.5	95.4	172.6	-71.7	-175	-26.1	0	0	111.9	E393	E393-Q395 PolarHBondContact O-N 3.24Å; E393-Q395 VanDerWaalsContact O-N 3.1Å
396	G	28.5	Very low	41.4	Very low	61 Å²	61	126.6 Å²	126.6	63%	0.629	64%	0.637	S	S	*	*			trans	97.1	98.9	156.9	0	0	0	0	0	116.6	E394	E394-G396 PolarHBondContact O-N 2.94Å
397	G	30	Very low	39.3	Very low	64 Å²	64	119.1 Å²	119.1	66%	0.66	63%	0.627	S	S	*	*	S	Bend	trans	-112.4	-38.5	172.7	0	0	0	0	0	115.4
398	W	27.6	Very low	37.1	Very low	189 Å²	189	115.4 Å²	115.4	72%	0.716	64%	0.639	S	S	*	*	S	Bend	trans	-76.7	-38.1	-173.6	96.4	-78.2	0	0	0	113.1	S400 W401 V402	W398-S400 VanDerWaalsContact C-N 3.26Å; W398-S400 PolarHBondContact O-N 3.16Å; W398-W401 PolarHBondContact O-N 2.8Å; W398-V402 HydrophobicContact CE3-CG2 3.78Å; W398-V402 HydrophobicContact CZ3-CG2 3.8Å; W398-V402 PolarHBondContact O-N 2.88Å
399	M	27.5	Very low	35.4	Very low	124 Å²	124	116.3 Å²	116.3	61%	0.611	65%	0.648	S	S	*	*	H	α-helix	trans	-53.7	-40.1	176.9	-73.9	-83.5	-78.6	0	0	112.7	W401 V402 T403	M399-W401 VanDerWaalsContact C-N 3.28Å; M399-W401 PolarHBondContact O-N 3.23Å; M399-V402 PolarHBondContact O-N 2.88Å; M399-T403 WeakPolarHBondContact O-CG2 3.31Å; M399-T403 PolarHBondContact O-N 3.4Å; M399-T403 VanDerWaalsContact O-N 3.07Å; M399-T403 PolarHBondContact O-OG1 3.04Å
400	S	33.2	Very low	33.3	Very low	88 Å²	88	116.9 Å²	116.9	62%	0.615	67%	0.67	S	S	*	*	H	α-helix	trans	-69.3	-21.8	-175.7	-173.9	0	0	0	0	114.3	W398 T403	W398-S400 VanDerWaalsContact C-N 3.26Å; W398-S400 PolarHBondContact O-N 3.16Å; S400-T403 WeakPolarHBondContact CA-OG1 3.12Å; S400-T403 PolarHBondContact O-OG1 3.21Å; S400-T403 VanDerWaalsContact O-OG1 3.13Å
401	W	29.8	Very low	31.7	Very low	167 Å²	167	111.8 Å²	111.8	63%	0.633	67%	0.672	S	S	*	*	H	α-helix	trans	-85.2	-40	175.7	168	58.4	0	0	0	110.9	W398 M399 T403 G404 W405	W398-W401 PolarHBondContact O-N 2.8Å; M399-W401 VanDerWaalsContact C-N 3.28Å; M399-W401 PolarHBondContact O-N 3.23Å; W401-T403 VanDerWaalsContact C-N 3.33Å; W401-T403 PolarHBondContact O-N 2.85Å; W401-G404 PolarHBondContact O-N 3.37Å; W401-G404 VanDerWaalsContact O-N 3.1Å; W401-W405 AromaticContact CE2-CE3 3.87Å; W401-W405 AromaticContact CE2-CZ3 4Å; W401-W405 HydrophobicContact CH2-CE3 4.38Å; W401-W405 AromaticContact CH2-CZ3 3.9Å; W401-W405 HydrophobicContact CH2-CZ3 3.9Å; W401-W405 AromaticContact CZ2-CE3 3.69Å; W401-W405 HydrophobicContact CZ2-CE3 3.69Å; W401-W405 HydrophobicContact CZ2-CH2 4.35Å; W401-W405 AromaticContact CZ2-CZ3 3.33Å; W401-W405 HydrophobicContact CZ2-CZ3 3.33Å; W401-W405 PolarHBondContact O-N 2.98Å
402	V	36.1	Very low	30.3	Very low	53 Å²	53	114.9 Å²	114.9	32%	0.321	68%	0.684	S	S	.	*	H	α-helix	trans	-59.5	-43.8	174.5	177.7	0	0	0	0	111	W398 M399 G404 W405	W398-V402 HydrophobicContact CE3-CG2 3.78Å; W398-V402 HydrophobicContact CZ3-CG2 3.8Å; W398-V402 PolarHBondContact O-N 2.88Å; M399-V402 PolarHBondContact O-N 2.88Å; V402-G404 PolarHBondContact O-N 2.96Å; V402-W405 PolarHBondContact O-N 2.88Å
403	T	36.9	Very low	28.7	Very low	101 Å²	101	119.7 Å²	119.7	62%	0.62	70%	0.704	S	S	*	*	H	α-helix	trans	-66	-17.7	176.6	50.8	0	0	0	0	114.5	M399 S400 W401	M399-T403 WeakPolarHBondContact O-CG2 3.31Å; M399-T403 PolarHBondContact O-N 3.4Å; M399-T403 VanDerWaalsContact O-N 3.07Å; M399-T403 PolarHBondContact O-OG1 3.04Å; S400-T403 WeakPolarHBondContact CA-OG1 3.12Å; S400-T403 PolarHBondContact O-OG1 3.21Å; S400-T403 VanDerWaalsContact O-OG1 3.13Å; W401-T403 VanDerWaalsContact C-N 3.33Å; W401-T403 PolarHBondContact O-N 2.85Å
404	G	33.2	Very low	28.1	Very low	60 Å²	60	120.6 Å²	120.6	62%	0.619	71%	0.705	S	S	*	*	H	α-helix	trans	-91.8	-14.5	177.5	0	0	0	0	0	114.6	W401 V402	W401-G404 PolarHBondContact O-N 3.37Å; W401-G404 VanDerWaalsContact O-N 3.1Å; V402-G404 PolarHBondContact O-N 2.96Å
405	W	29.6	Very low	27.7	Very low	181 Å²	181	118.9 Å²	118.9	69%	0.686	72%	0.716	S	S	*	*	H	α-helix	trans	-102.4	-13.8	-174.7	-155.5	-3	0	0	0	113.2	W401 V402	W401-W405 AromaticContact CE2-CE3 3.87Å; W401-W405 AromaticContact CE2-CZ3 4Å; W401-W405 HydrophobicContact CH2-CE3 4.38Å; W401-W405 AromaticContact CH2-CZ3 3.9Å; W401-W405 HydrophobicContact CH2-CZ3 3.9Å; W401-W405 AromaticContact CZ2-CE3 3.69Å; W401-W405 HydrophobicContact CZ2-CE3 3.69Å; W401-W405 HydrophobicContact CZ2-CH2 4.35Å; W401-W405 AromaticContact CZ2-CZ3 3.33Å; W401-W405 HydrophobicContact CZ2-CZ3 3.33Å; W401-W405 PolarHBondContact O-N 2.98Å; V402-W405 PolarHBondContact O-N 2.88Å
406	W	28.4	Very low	27.7	Very low	227 Å²	227	114.8 Å²	114.8	86%	0.86	71%	0.714	S	S	*	*	S	Bend	trans	-116.9	21.4	-174.3	-72.2	81.7	0	0	0	114.4
407	G	26.6	Very low	27.6	Very low	58 Å²	58	115.3 Å²	115.3	60%	0.598	72%	0.719	S	S	*	*			trans	-149.2	120.9	173.6	0	0	0	0	0	111.2
408	G	26.5	Very low	27.4	Very low	82 Å²	82	116 Å²	116	85%	0.845	71%	0.714	S	S	*	*			trans	-100.6	142.7	-179.3	0	0	0	0	0	112.8
409	G	25.7	Very low	27.4	Very low	87 Å²	87	111.5 Å²	111.5	90%	0.897	71%	0.708	S	S	*	*	S	Bend	trans	93.1	22.1	152.7	0	0	0	0	0	119.4
410	G	23.7	Very low	27.7	Very low	81 Å²	81	109.2 Å²	109.2	84%	0.835	71%	0.708	S	S	*	*			trans	81.5	167.3	164.1	0	0	0	0	0	116.5
411	G	23.1	Very low	27.7	Very low	85 Å²	85	111.7 Å²	111.7	88%	0.876	72%	0.715	S	S	*	*			trans	101.7	135.7	-179.2	0	0	0	0	0	114.2
412	E	22.3	Very low	27.8	Very low	168 Å²	168	107.4 Å²	107.4	79%	0.785	70%	0.702	S	S	*	*			trans	-75	161.3	-171.3	-72.8	-174	72.1	0	0	117.3
413	Q	22.2	Very low	27.7	Very low	137 Å²	137	109.4 Å²	109.4	64%	0.64	71%	0.71	S	S	*	*			trans	81	104	142.5	-77.7	170.8	65	0	0	123.4
414	K	21.1	Very low	27.7	Very low	187 Å²	187	107 Å²	107	81%	0.813	70%	0.7	S	S	*	*				68.2	138.2	122.8	-66.7	175.4	-180	170	0	123.3
415	A	23.5	Very low	27.9	Very low	109 Å²	109	106 Å²	106	90%	0.901	68%	0.683	S	S	*	*			trans	67.2	146.9	165.5	0	0	0	0	0	116.3
416	A	25.8	Very low	28.4	Very low	102 Å²	102	102.6 Å²	102.6	84%	0.843	68%	0.675	S	S	*	*			cis	-132.7	-179	-6.5	0	0	0	0	0	107.8
417	G	26	Very low	28.8	Very low	71 Å²	71	98.4 Å²	98.4	73%	0.732	66%	0.663	S	S	*	*			cis	123.2	117.2	9.9	0	0	0	0	0	110.4
418	S	26.1	Very low	29.6	Very low	78 Å²	78	103.4 Å²	103.4	55%	0.545	67%	0.671	S	S	.	*			trans	68.2	114.7	-176.9	-129.5	0	0	0	0	117.9	E422	S418-E422 WeakPolarHBondContact CB-OE1 3.04Å; S418-E422 PolarHBondContact OG-OE1 3.07Å; S418-E422 PolarHBondContact OG-OE2 2.81Å
419	T	28.9	Very low	30.5	Very low	95 Å²	95	108 Å²	108	58%	0.583	67%	0.668	S	S	*	*	S	Bend	trans	-175.5	-51.3	152.5	4.1	0	0	0	0	111.9	E422 I423	T419-E422 CarbonylContact O-C 3.57Å; T419-E422 WeakPolarHBondContact O-CA 3.11Å; T419-E422 VanDerWaalsContact O-CB 3.22Å; T419-E422 WeakPolarHBondContact O-CB 2.96Å; T419-E422 PolarHBondContact O-N 3.39Å; T419-E422 VanDerWaalsContact O-N 3.08Å; T419-I423 WeakPolarHBondContact O-CG1 3.17Å; T419-I423 PolarHBondContact O-N 2.87Å
420	A	32.3	Very low	31.4	Very low	76 Å²	76	107.7 Å²	107.7	63%	0.628	66%	0.657	S	S	*	*	H	α-helix	trans	-67.8	-47	-174.7	0	0	0	0	0	113.1	E422 A424	A420-E422 PolarHBondContact O-N 3.02Å; A420-A424 PolarHBondContact O-N 2.8Å
421	N	33.9	Very low	32.2	Very low	141 Å²	141	107.5 Å²	107.5	75%	0.754	64%	0.635	S	S	*	*	H	α-helix	trans	-67.3	-23	169.9	-68.6	8.9	0	0	0	112	S425	N421-S425 WeakPolarHBondContact O-CB 3Å; N421-S425 PolarHBondContact O-N 2.9Å; N421-S425 PolarHBondContact O-OG 2.85Å
422	E	32.3	Very low	33.6	Very low	77 Å²	77	107.1 Å²	107.1	36%	0.36	62%	0.616	S	S	.	*	H	α-helix	trans	-73.2	-46.7	-179.5	-154.5	160.1	-123.3	0	0	110.2	S418 T419 A420 A424 S425 Q426	S418-E422 WeakPolarHBondContact CB-OE1 3.04Å; S418-E422 PolarHBondContact OG-OE1 3.07Å; S418-E422 PolarHBondContact OG-OE2 2.81Å; T419-E422 CarbonylContact O-C 3.57Å; T419-E422 WeakPolarHBondContact O-CA 3.11Å; T419-E422 VanDerWaalsContact O-CB 3.22Å; T419-E422 WeakPolarHBondContact O-CB 2.96Å; T419-E422 PolarHBondContact O-N 3.39Å; T419-E422 VanDerWaalsContact O-N 3.08Å; A420-E422 PolarHBondContact O-N 3.02Å; E422-A424 VanDerWaalsContact C-N 3.33Å; E422-A424 PolarHBondContact O-N 3.27Å; E422-S425 CarbonylContact O-C 3.39Å; E422-S425 PolarHBondContact O-N 2.8Å; E422-S425 VanDerWaalsContact O-N 3.16Å; E422-S425 PolarHBondContact O-OG 2.78Å; E422-Q426 WeakPolarHBondContact O-CB 3.28Å; E422-Q426 VanDerWaalsContact O-CG 3.25Å; E422-Q426 WeakPolarHBondContact O-CG 3.11Å; E422-Q426 PolarHBondContact O-N 3.16Å
423	I	33.3	Very low	35	Very low	95 Å²	95	104.6 Å²	104.6	49%	0.487	61%	0.608	S	S	.	*	H	α-helix	trans	-59.9	-40.7	172.2	-66.6	162.1	0	0	0	111.2	T419 Q426 F427	T419-I423 WeakPolarHBondContact O-CG1 3.17Å; T419-I423 PolarHBondContact O-N 2.87Å; I423-Q426 PolarHBondContact O-N 3.24Å; I423-F427 PolarHBondContact O-N 3.45Å
424	A	36.7	Very low	36.3	Very low	51 Å²	51	104 Å²	104	42%	0.421	61%	0.605	S	S	.	*	H	α-helix	trans	-62.1	-48.6	172.8	0	0	0	0	0	111.5	A420 E422 Q426 F427 E428	A420-A424 PolarHBondContact O-N 2.8Å; E422-A424 VanDerWaalsContact C-N 3.33Å; E422-A424 PolarHBondContact O-N 3.27Å; A424-Q426 VanDerWaalsContact C-N 3.27Å; A424-Q426 PolarHBondContact O-N 2.81Å; A424-F427 PolarHBondContact O-N 3.41Å; A424-F427 VanDerWaalsContact O-N 3.17Å; A424-E428 PolarHBondContact O-N 3.36Å
425	S	38.3	Very low	37.5	Very low	37 Å²	37	99.4 Å²	99.4	26%	0.259	59%	0.586	S	S	.	*	H	α-helix	trans	-67.2	-24.5	177.5	78.7	0	0	0	0	113.9	N421 E422 K429	N421-S425 WeakPolarHBondContact O-CB 3Å; N421-S425 PolarHBondContact O-N 2.9Å; N421-S425 PolarHBondContact O-OG 2.85Å; E422-S425 CarbonylContact O-C 3.39Å; E422-S425 PolarHBondContact O-N 2.8Å; E422-S425 VanDerWaalsContact O-N 3.16Å; E422-S425 PolarHBondContact O-OG 2.78Å; S425-K429 VanDerWaalsContact O-CB 3.24Å; S425-K429 WeakPolarHBondContact O-CB 3.35Å; S425-K429 WeakPolarHBondContact O-CG 3.48Å; S425-K429 PolarHBondContact O-N 2.7Å
426	Q	39.9	Very low	38.6	Very low	111 Å²	111	97.7 Å²	97.7	52%	0.519	56%	0.559	S	S	.	*	H	α-helix	trans	-72.7	-40.2	172.8	-77.7	168.4	-3.2	0	0	110.5	E422 I423 A424 K429 A430	E422-Q426 WeakPolarHBondContact O-CB 3.28Å; E422-Q426 VanDerWaalsContact O-CG 3.25Å; E422-Q426 WeakPolarHBondContact O-CG 3.11Å; E422-Q426 PolarHBondContact O-N 3.16Å; I423-Q426 PolarHBondContact O-N 3.24Å; A424-Q426 VanDerWaalsContact C-N 3.27Å; A424-Q426 PolarHBondContact O-N 2.81Å; Q426-K429 PolarHBondContact O-N 3.17Å; Q426-A430 WeakPolarHBondContact O-CB 3.36Å; Q426-A430 PolarHBondContact O-N 2.9Å
427	F	36.9	Very low	39.8	Very low	139 Å²	139	98.7 Å²	98.7	61%	0.61	55%	0.546	S	S	*	.	H	α-helix	trans	-64.9	-42.6	170.5	-100.9	-92.9	0	0	0	112.3	I423 A424 K429 A430	I423-F427 PolarHBondContact O-N 3.45Å; A424-F427 PolarHBondContact O-N 3.41Å; A424-F427 VanDerWaalsContact O-N 3.17Å; F427-K429 VanDerWaalsContact C-N 3.33Å; F427-K429 PolarHBondContact O-N 3.08Å; F427-A430 PolarHBondContact O-N 2.91Å
428	E	42.3	Very low	40.9	Very low	162 Å²	162	100.7 Å²	100.7	76%	0.757	54%	0.535	S	S	*	.	H	α-helix	trans	-69.3	-26.9	177.8	-70.2	-178.8	147.9	0	0	113.5	A424	A424-E428 PolarHBondContact O-N 3.36Å
429	K	46	Very low	41.7	Very low	178 Å²	178	100.2 Å²	100.2	77%	0.774	53%	0.526	S	S	*	.	H	α-helix	trans	-87.2	-14.6	174.3	-75.1	173.7	178.5	175.2	0	114.4	S425 Q426 F427	S425-K429 VanDerWaalsContact O-CB 3.24Å; S425-K429 WeakPolarHBondContact O-CB 3.35Å; S425-K429 WeakPolarHBondContact O-CG 3.48Å; S425-K429 PolarHBondContact O-N 2.7Å; Q426-K429 PolarHBondContact O-N 3.17Å; F427-K429 VanDerWaalsContact C-N 3.33Å; F427-K429 PolarHBondContact O-N 3.08Å
430	A	44.4	Very low	42.7	Very low	81 Å²	81	99.9 Å²	99.9	67%	0.669	51%	0.514	S	S	*	.	S	Bend	trans	-94.3	7.7	-176.4	0	0	0	0	0	113.8	Q426 F427	Q426-A430 WeakPolarHBondContact O-CB 3.36Å; Q426-A430 PolarHBondContact O-N 2.9Å; F427-A430 PolarHBondContact O-N 2.91Å
431	M	41.1	Very low	43.5	Very low	77 Å²	77	102.8 Å²	102.8	38%	0.379	52%	0.515	S	S	.	.	S	Bend	trans	-124.9	118.9	-179.4	-163.7	167.5	-143.4	0	0	109.7	E435 K436 L439	M431-E435 HydrophobicContact CE-CB 3.99Å; M431-E435 HydrophobicContact CG-CB 3.69Å; M431-K436 HydrophobicContact CG-CB 4.28Å; M431-K436 HydrophobicContact SD-CB 4.42Å; M431-L439 HydrophobicContact CE-CB 3.96Å; M431-L439 HydrophobicContact CE-CD1 4.37Å; M431-L439 HydrophobicContact CE-CD2 3.97Å; M431-L439 HydrophobicContact CE-CG 4.32Å; M431-L439 HydrophobicContact SD-CD2 4.15Å
432	T	52.9	Low	43.8	Very low	77 Å²	77	98.6 Å²	98.6	47%	0.472	50%	0.5	S	S	.	.			trans	-66.8	156	175	58.8	0	0	0	0	111	E434 E435 K436	T432-E434 PolarHBondContact O-N 3.39Å; T432-E435 WeakPolarHBondContact CB-OE2 3.15Å; T432-E435 WeakPolarHBondContact CG2-OE2 3.29Å; T432-E435 PolarHBondContact N-OE2 3.26Å; T432-E435 PolarHBondContact O-N 3.4Å; T432-E435 WeakPolarHBondContact OG1-CB 3.29Å; T432-E435 VanDerWaalsContact OG1-CD 3.31Å; T432-E435 VanDerWaalsContact OG1-CG 3.25Å; T432-E435 WeakPolarHBondContact OG1-CG 3.25Å; T432-E435 PolarHBondContact OG1-N 2.9Å; T432-E435 PolarHBondContact OG1-OE2 2.86Å; T432-K436 VanDerWaalsContact O-CB 3.28Å; T432-K436 WeakPolarHBondContact O-CB 3.48Å; T432-K436 PolarHBondContact O-N 2.88Å
433	D	51.8	Low	44.1	Very low	115 Å²	115	98.3 Å²	98.3	62%	0.615	50%	0.5	S	S	*	.	H	α-helix	trans	-61.4	-28.1	176.2	-73.1	-60.1	0	0	0	112.3	K436 E437	D433-K436 IonicContact OD1-NZ 2.73Å; D433-K436 PolarHBondContact OD1-NZ 3.31Å; D433-E437 VanDerWaalsContact O-CB 3.31Å; D433-E437 WeakPolarHBondContact O-CB 3.49Å; D433-E437 PolarHBondContact O-N 2.94Å
434	E	49.5	Very low	44.3	Very low	125 Å²	125	97.3 Å²	97.3	58%	0.584	50%	0.496	S	S	*	.	H	α-helix	trans	-64.5	-46.3	168.4	-85	-161.1	-161.7	0	0	113.2	T432 K436 E437 K438	T432-E434 PolarHBondContact O-N 3.39Å; E434-K436 VanDerWaalsContact C-N 3.29Å; E434-K436 PolarHBondContact O-N 3.23Å; E434-E437 PolarHBondContact O-N 3.37Å; E434-K438 WeakPolarHBondContact O-CB 3.38Å; E434-K438 WeakPolarHBondContact O-CD 3.06Å; E434-K438 WeakPolarHBondContact O-CG 3.1Å; E434-K438 PolarHBondContact O-N 2.9Å; E434-K438 IonicContact OE2-NZ 2.62Å; E434-K438 PolarHBondContact OE2-NZ 3.41Å
435	E	46.1	Very low	44.2	Very low	90 Å²	90	98.9 Å²	98.9	42%	0.421	49%	0.491	S	S	.	.	H	α-helix	trans	-66.4	-36	178.2	-73.3	163.9	124.5	0	0	111.3	M431 T432 L439	M431-E435 HydrophobicContact CE-CB 3.99Å; M431-E435 HydrophobicContact CG-CB 3.69Å; T432-E435 WeakPolarHBondContact CB-OE2 3.15Å; T432-E435 WeakPolarHBondContact CG2-OE2 3.29Å; T432-E435 PolarHBondContact N-OE2 3.26Å; T432-E435 PolarHBondContact O-N 3.4Å; T432-E435 WeakPolarHBondContact OG1-CB 3.29Å; T432-E435 VanDerWaalsContact OG1-CD 3.31Å; T432-E435 VanDerWaalsContact OG1-CG 3.25Å; T432-E435 WeakPolarHBondContact OG1-CG 3.25Å; T432-E435 PolarHBondContact OG1-N 2.9Å; T432-E435 PolarHBondContact OG1-OE2 2.86Å; E435-L439 VanDerWaalsContact O-CB 3.25Å; E435-L439 WeakPolarHBondContact O-CB 3.39Å; E435-L439 PolarHBondContact O-N 3.46Å
436	K	46.8	Very low	44.5	Very low	74 Å²	74	103 Å²	103	32%	0.322	51%	0.507	S	S	.	.	H	α-helix	trans	-67.7	-38.5	175.3	178.3	176.1	157.3	-157.6	0	111.8	M431 T432 D433 E434 L439 Y440	M431-K436 HydrophobicContact CG-CB 4.28Å; M431-K436 HydrophobicContact SD-CB 4.42Å; T432-K436 VanDerWaalsContact O-CB 3.28Å; T432-K436 WeakPolarHBondContact O-CB 3.48Å; T432-K436 PolarHBondContact O-N 2.88Å; D433-K436 IonicContact OD1-NZ 2.73Å; D433-K436 PolarHBondContact OD1-NZ 3.31Å; E434-K436 VanDerWaalsContact C-N 3.29Å; E434-K436 PolarHBondContact O-N 3.23Å; K436-L439 WeakPolarHBondContact O-CB 3.08Å; K436-L439 PolarHBondContact O-N 3.11Å; K436-Y440 WeakPolarHBondContact CE-OH 3.49Å; K436-Y440 HydrophobicContact CG-CD2 4.45Å; K436-Y440 HydrophobicContact CG-CE1 4.37Å; K436-Y440 HydrophobicContact CG-CE2 3.73Å; K436-Y440 WeakPolarHBondContact O-CD2 3.49Å; K436-Y440 PolarHBondContact O-N 3.08Å
437	E	49.8	Very low	44.5	Very low	122 Å²	122	104.5 Å²	104.5	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-71.1	-43.9	172.3	-173.2	171	-138.5	0	0	112.1	D433 E434 L439 Y440 Q441	D433-E437 VanDerWaalsContact O-CB 3.31Å; D433-E437 WeakPolarHBondContact O-CB 3.49Å; D433-E437 PolarHBondContact O-N 2.94Å; E434-E437 PolarHBondContact O-N 3.37Å; E437-L439 PolarHBondContact O-N 3.4Å; E437-Y440 PolarHBondContact O-N 3.04Å; E437-Y440 VanDerWaalsContact O-N 3.11Å; E437-Q441 WeakPolarHBondContact O-CG 3.34Å; E437-Q441 PolarHBondContact O-N 3Å
438	K	48.7	Very low	44.6	Very low	114 Å²	114	105.3 Å²	105.3	50%	0.496	52%	0.524	S	S	.	.	H	α-helix	trans	-57.7	-37.9	170.5	-71.7	161.1	-167.7	161.1	0	111.1	E434 A442	E434-K438 WeakPolarHBondContact O-CB 3.38Å; E434-K438 WeakPolarHBondContact O-CD 3.06Å; E434-K438 WeakPolarHBondContact O-CG 3.1Å; E434-K438 PolarHBondContact O-N 2.9Å; E434-K438 IonicContact OE2-NZ 2.62Å; E434-K438 PolarHBondContact OE2-NZ 3.41Å; K438-A442 WeakPolarHBondContact O-CB 3.44Å; K438-A442 PolarHBondContact O-N 2.95Å
439	L	44.3	Very low	44.4	Very low	68 Å²	68	102.5 Å²	102.5	36%	0.356	51%	0.511	S	S	.	.	H	α-helix	trans	-65.2	-50.3	172.2	-170.5	76.9	0	0	0	110.8	M431 E435 K436 E437 Q441 A442 I443	M431-L439 HydrophobicContact CE-CB 3.96Å; M431-L439 HydrophobicContact CE-CD1 4.37Å; M431-L439 HydrophobicContact CE-CD2 3.97Å; M431-L439 HydrophobicContact CE-CG 4.32Å; M431-L439 HydrophobicContact SD-CD2 4.15Å; E435-L439 VanDerWaalsContact O-CB 3.25Å; E435-L439 WeakPolarHBondContact O-CB 3.39Å; E435-L439 PolarHBondContact O-N 3.46Å; K436-L439 WeakPolarHBondContact O-CB 3.08Å; K436-L439 PolarHBondContact O-N 3.11Å; E437-L439 PolarHBondContact O-N 3.4Å; L439-Q441 VanDerWaalsContact C-N 3.28Å; L439-Q441 PolarHBondContact O-N 3.26Å; L439-A442 CarbonylContact O-C 3.44Å; L439-A442 WeakPolarHBondContact O-CA 3.28Å; L439-A442 PolarHBondContact O-N 2.85Å; L439-I443 HydrophobicContact CG-CG1 4.44Å; L439-I443 WeakPolarHBondContact O-CG1 3.35Å; L439-I443 PolarHBondContact O-N 3.17Å
440	Y	50.3	Low	44	Very low	87 Å²	87	99.8 Å²	99.8	34%	0.341	51%	0.509	S	S	.	.	H	α-helix	trans	-59.8	-35.6	179.4	-64.8	-25.2	0	0	0	113.1	K436 E437 D444 Y445	K436-Y440 WeakPolarHBondContact CE-OH 3.49Å; K436-Y440 HydrophobicContact CG-CD2 4.45Å; K436-Y440 HydrophobicContact CG-CE1 4.37Å; K436-Y440 HydrophobicContact CG-CE2 3.73Å; K436-Y440 WeakPolarHBondContact O-CD2 3.49Å; K436-Y440 PolarHBondContact O-N 3.08Å; E437-Y440 PolarHBondContact O-N 3.04Å; E437-Y440 VanDerWaalsContact O-N 3.11Å; Y440-D444 PolarHBondContact O-N 3.46Å; Y440-Y445 AromaticContact CD1-CD1 3.74Å; Y440-Y445 HydrophobicContact CD1-CD1 3.74Å; Y440-Y445 HydrophobicContact CD1-CG 4.36Å; Y440-Y445 AromaticContact CE1-CD1 3.93Å; Y440-Y445 HydrophobicContact CE1-CD1 3.93Å; Y440-Y445 HydrophobicContact CE1-CE1 4.32Å; Y440-Y445 HydrophobicContact CG-CD1 4.2Å; Y440-Y445 PolarHBondContact O-N 3.33Å; Y440-Y445 VanDerWaalsContact O-N 3.08Å
441	Q	48.8	Very low	43.7	Very low	137 Å²	137	101.5 Å²	101.5	64%	0.64	51%	0.513	S	S	*	.	H	α-helix	trans	-64.9	-46.6	168	-67.7	-179.8	10.7	0	0	111.4	E437 L439 I443 D444	E437-Q441 WeakPolarHBondContact O-CG 3.34Å; E437-Q441 PolarHBondContact O-N 3Å; L439-Q441 VanDerWaalsContact C-N 3.28Å; L439-Q441 PolarHBondContact O-N 3.26Å; Q441-I443 PolarHBondContact O-N 3.4Å; Q441-D444 PolarHBondContact O-N 2.93Å
442	A	40.5	Very low	43.8	Very low	54 Å²	54	100.6 Å²	100.6	45%	0.446	51%	0.512	S	S	.	.	H	α-helix	trans	-69.1	-11	179.8	0	0	0	0	0	115.4	K438 L439	K438-A442 WeakPolarHBondContact O-CB 3.44Å; K438-A442 PolarHBondContact O-N 2.95Å; L439-A442 CarbonylContact O-C 3.44Å; L439-A442 WeakPolarHBondContact O-CA 3.28Å; L439-A442 PolarHBondContact O-N 2.85Å
443	I	38.5	Very low	43.3	Very low	71 Å²	71	105.8 Å²	105.8	36%	0.364	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	15.8	173.1	53.7	150.7	0	0	0	114.2	K137 L439 Q441 Y445	K137-I443 HydrophobicContact CD-CD1 4.16Å; K137-I443 VanDerWaalsContact NZ-CD1 3.34Å; L439-I443 HydrophobicContact CG-CG1 4.44Å; L439-I443 WeakPolarHBondContact O-CG1 3.35Å; L439-I443 PolarHBondContact O-N 3.17Å; Q441-I443 PolarHBondContact O-N 3.4Å; I443-Y445 PolarHBondContact O-N 2.93Å
444	D	36.7	Very low	43.5	Very low	74 Å²	74	103.9 Å²	103.9	40%	0.396	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	54.2	173.7	-174.7	23.1	0	0	0	113.1	K238 Y440 Q441	K238-D444 WeakPolarHBondContact CD-OD2 3.13Å; K238-D444 WeakPolarHBondContact CE-OD2 3.2Å; K238-D444 PolarHBondContact NZ-O 3.49Å; K238-D444 IonicContact NZ-OD1 3.29Å; K238-D444 PolarHBondContact NZ-OD1 2.68Å; K238-D444 IonicContact NZ-OD2 2.7Å; K238-D444 PolarHBondContact NZ-OD2 3.04Å; Y440-D444 PolarHBondContact O-N 3.46Å; Q441-D444 PolarHBondContact O-N 2.93Å
445	Y	35.5	Very low	43.8	Very low	83 Å²	83	99.9 Å²	99.9	33%	0.325	50%	0.501	S	S	.	.			trans	-107.5	128.5	-172.8	-171.8	-107	0	0	0	111.9	Y440 I443 E447	Y440-Y445 AromaticContact CD1-CD1 3.74Å; Y440-Y445 HydrophobicContact CD1-CD1 3.74Å; Y440-Y445 HydrophobicContact CD1-CG 4.36Å; Y440-Y445 AromaticContact CE1-CD1 3.93Å; Y440-Y445 HydrophobicContact CE1-CD1 3.93Å; Y440-Y445 HydrophobicContact CE1-CE1 4.32Å; Y440-Y445 HydrophobicContact CG-CD1 4.2Å; Y440-Y445 PolarHBondContact O-N 3.33Å; Y440-Y445 VanDerWaalsContact O-N 3.08Å; I443-Y445 PolarHBondContact O-N 2.93Å; Y445-E447 HydrophobicContact CE1-CG 4.05Å
446	Q	43.5	Very low	44.4	Very low	125 Å²	125	99.1 Å²	99.1	58%	0.584	50%	0.503	S	S	*	.			trans	-129.4	132.5	173.5	-73.5	-178.4	-25.6	0	0	109.6	Q449	Q446-Q449 HydrophobicContact CB-CG 4.01Å
447	E	41	Very low	45.1	Very low	142 Å²	142	102 Å²	102	66%	0.664	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	142.9	169.5	-64.2	-170.9	118.4	0	0	110.5	Y445	Y445-E447 HydrophobicContact CE1-CG 4.05Å
448	N	38.4	Very low	45.5	Very low	155 Å²	155	96.5 Å²	96.5	83%	0.829	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	33.6	174.7	-49.6	-58.4	0	0	0	117.5	V450	N448-V450 PolarHBondContact O-N 2.99Å
449	Q	37.5	Very low	45.7	Very low	104 Å²	104	92.1 Å²	92.1	49%	0.486	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-61.7	119.4	168.2	-73.5	-162.2	-28.7	0	0	112.2	Q446	Q446-Q449 HydrophobicContact CB-CG 4.01Å
450	V	37	Very low	46.1	Very low	121 Å²	121	90.1 Å²	90.1	73%	0.733	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-68.8	140.3	170.3	-179.7	0	0	0	0	108.9	N448 T452	N448-V450 PolarHBondContact O-N 2.99Å; V450-T452 PolarHBondContact O-N 3.2Å; V450-T452 VanDerWaalsContact O-N 3.12Å
451	P	38.8	Very low	46.3	Very low	117 Å²	117	87.5 Å²	87.5	76%	0.76	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-56.6	118.3	-179.2	21.1	-34.1	0	0	0	112.5	Q453	P451-Q453 PolarHBondContact O-N 2.75Å
452	T	42.6	Very low	46.3	Very low	57 Å²	57	82 Å²	82	35%	0.35	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-58	117.5	-173	-36.6	0	0	0	0	111.9	E240 V450 Y454	E240-T452 WeakPolarHBondContact OE1-CG2 3.17Å; E240-T452 PolarHBondContact OE1-OG1 2.63Å; V450-T452 PolarHBondContact O-N 3.2Å; V450-T452 VanDerWaalsContact O-N 3.12Å; T452-Y454 HydrophobicContact CG2-CE1 4.29Å; T452-Y454 PolarHBondContact O-N 2.18Å; T452-Y454 VanDerWaalsContact O-N 3.11Å
453	Q	44.1	Very low	46.6	Very low	187 Å²	187	81.2 Å²	81.2	87%	0.874	42%	0.42	S	S	*	.			trans	-77.1	95	170.3	-68.9	-170.6	8.1	0	0	109.5	P451	P451-Q453 PolarHBondContact O-N 2.75Å
454	Y	54.6	Low	46.9	Very low	74 Å²	74	79.5 Å²	79.5	29%	0.29	41%	0.41	S	S	.	.			trans	-65.8	133.8	177.4	-66.2	-68.7	0	0	0	111.7	P239 F246 K250 T452 V458 S484	P239-Y454 HydrophobicContact CG-CE1 4.15Å; F246-Y454 HydrophobicContact CE1-CD1 4.08Å; F246-Y454 HydrophobicContact CE1-CE1 4.48Å; K250-Y454 PolarHBondContact NZ-OH 2.15Å; T452-Y454 HydrophobicContact CG2-CE1 4.29Å; T452-Y454 PolarHBondContact O-N 2.18Å; T452-Y454 VanDerWaalsContact O-N 3.11Å; Y454-V458 HydrophobicContact CD1-CG2 4.37Å; Y454-S484 WeakPolarHBondContact CB-OG 3.2Å; Y454-S484 WeakPolarHBondContact O-CB 3.39Å; Y454-S484 PolarHBondContact O-OG 2.7Å
455	P	56.7	Low	46.9	Very low	41 Å²	41	77.5 Å²	77.5	27%	0.266	40%	0.402	S	S	.	.			trans	-53.2	157.6	170	-28.6	35.6	0	0	0	113.5	F246 E457 V458 S484	F246-P455 HydrophobicContact CD2-CG 3.92Å; F246-P455 HydrophobicContact CE2-CG 3.95Å; F246-P455 HydrophobicContact CG-CG 4.37Å; F246-P455 HydrophobicContact CZ-CG 4.42Å; P455-E457 PolarHBondContact O-N 2.18Å; P455-E457 VanDerWaalsContact O-N 3.16Å; P455-V458 HydrophobicContact CB-CG2 4.22Å; P455-V458 HydrophobicContact CG-CG2 4.38Å; P455-V458 WeakPolarHBondContact O-CG2 3.39Å; P455-V458 PolarHBondContact O-N 3.39Å; P455-S484 WeakPolarHBondContact O-CB 3.38Å; P455-S484 PolarHBondContact O-OG 3.39Å
456	P	58.6	Low	47	Very low	74 Å²	74	74.1 Å²	74.1	48%	0.481	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.6	176.2	28.6	-35.6	0	0	0	114	A485	P456-A485 HydrophobicContact CB-CB 4.17Å
457	E	61.7	Low	46.6	Very low	134 Å²	134	70.3 Å²	70.3	63%	0.626	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-19.6	-179.5	-66	167	-154.2	0	0	113.7	P455 T459 L539	P455-E457 PolarHBondContact O-N 2.18Å; P455-E457 VanDerWaalsContact O-N 3.16Å; E457-T459 PolarHBondContact O-N 2.17Å; E457-L539 HydrophobicContact CG-CD2 4.41Å
458	V	56.8	Low	46.3	Very low	7 Å²	7	65 Å²	65	4%	0.042	35%	0.351	C	S	.	.			trans	-67.3	119.8	-171.1	-174.9	0	0	0	0	111.9	F246 Y454 P455 R482 P483	F246-V458 HydrophobicContact CB-CG2 4.06Å; F246-V458 HydrophobicContact CD1-CG2 3.71Å; F246-V458 HydrophobicContact CE1-CG2 4.46Å; F246-V458 HydrophobicContact CG-CG2 4.02Å; Y454-V458 HydrophobicContact CD1-CG2 4.37Å; P455-V458 HydrophobicContact CB-CG2 4.22Å; P455-V458 HydrophobicContact CG-CG2 4.38Å; P455-V458 WeakPolarHBondContact O-CG2 3.39Å; P455-V458 PolarHBondContact O-N 3.39Å; V458-R482 WeakPolarHBondContact O-CA 3.41Å; V458-P483 WeakPolarHBondContact O-CD 3.34Å
459	T	54.5	Low	46.4	Very low	23 Å²	23	62.2 Å²	62.2	14%	0.141	33%	0.333	C	S	.	.			trans	-104.1	149	179.5	51	0	0	0	0	114.2	P249 K250 E457 E480 M481 R482	P249-T459 VanDerWaalsContact CA-O 3.23Å; P249-T459 WeakPolarHBondContact CA-O 3.35Å; P249-T459 WeakPolarHBondContact CB-O 3.35Å; K250-T459 PolarHBondContact N-O 2.8Å; E457-T459 PolarHBondContact O-N 2.17Å; T459-E480 HydrophobicContact CG2-CB 4.31Å; T459-M481 CarbonylContact C-O 3.48Å; T459-M481 VanDerWaalsContact CA-O 3.28Å; T459-M481 WeakPolarHBondContact CA-O 3.43Å; T459-R482 HydrophobicContact CG2-CG 3.6Å
460	N	51.5	Low	46.5	Very low	25 Å²	25	63.3 Å²	63.3	13%	0.134	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.1	149	-67	-44.2	0	0	0	107.4	K250 I251 F462 E480 M481	K250-N460 WeakPolarHBondContact CB-OD1 3.18Å; I251-N460 PolarHBondContact N-OD1 2.82Å; N460-F462 HydrophobicContact CB-CE2 3.8Å; N460-F462 HydrophobicContact CB-CZ 4.1Å; N460-E480 CarbonylContact O-C 3.54Å; N460-E480 VanDerWaalsContact O-CA 3.3Å; N460-E480 WeakPolarHBondContact O-CA 3.21Å; N460-M481 HydrophobicContact CB-CB 4.45Å; N460-M481 PolarHBondContact N-O 2.78Å; N460-M481 PolarHBondContact O-N 3.49Å
461	I	55.5	Low	47	Very low	32 Å²	32	58 Å²	58	16%	0.164	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.9	-175.6	-51.2	-173.7	0	0	0	110.2	P249 I251 R252 L253 V463 T478 E480	P249-I461 HydrophobicContact CB-CD1 4.16Å; P249-I461 HydrophobicContact CB-CG1 3.88Å; P249-I461 HydrophobicContact CG-CD1 4Å; P249-I461 HydrophobicContact CG-CG1 4.12Å; I251-I461 PolarHBondContact O-N 2.38Å; R252-I461 VanDerWaalsContact CA-O 3.27Å; R252-I461 WeakPolarHBondContact CA-O 3.19Å; L253-I461 PolarHBondContact N-O 3.04Å; I461-V463 HydrophobicContact CG2-CG2 4.1Å; I461-T478 HydrophobicContact CG2-CG2 4.14Å; I461-E480 HydrophobicContact CD1-CG 4.49Å; I461-E480 HydrophobicContact CG1-CG 4.18Å; I461-E480 HydrophobicContact CG2-CG 4.33Å
462	F	47.8	Very low	47.1	Very low	23 Å²	23	54.5 Å²	54.5	10%	0.101	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.7	176.3	-56.1	-80.2	0	0	0	108.7	I251 L253 N460 T478 L479 M481 I1991 V1995	I251-F462 HydrophobicContact CG2-CE1 3.97Å; I251-F462 HydrophobicContact CG2-CZ 4.43Å; L253-F462 HydrophobicContact CB-CD1 4.14Å; N460-F462 HydrophobicContact CB-CE2 3.8Å; N460-F462 HydrophobicContact CB-CZ 4.1Å; F462-T478 CarbonylContact O-C 3.56Å; F462-T478 WeakPolarHBondContact O-CA 3.23Å; F462-L479 PolarHBondContact N-O 2.86Å; F462-L479 PolarHBondContact O-N 2.83Å; F462-M481 HydrophobicContact CE2-CG 4.32Å; F462-M481 HydrophobicContact CE2-SD 4.17Å; F462-I1991 HydrophobicContact CD1-CG2 4.23Å; F462-I1991 HydrophobicContact CD2-CD1 4.45Å; F462-I1991 HydrophobicContact CD2-CG1 4.26Å; F462-I1991 HydrophobicContact CD2-CG2 3.85Å; F462-I1991 HydrophobicContact CE1-CG2 4.22Å; F462-I1991 HydrophobicContact CE2-CG2 3.82Å; F462-I1991 HydrophobicContact CG-CG2 4.05Å; F462-I1991 HydrophobicContact CZ-CG2 4.01Å; F462-V1995 HydrophobicContact CD1-CG2 3.5Å; F462-V1995 HydrophobicContact CE1-CG2 3.43Å; F462-V1995 VanDerWaalsContact CE1-CG2 3.43Å; F462-V1995 HydrophobicContact CG-CG2 4.41Å; F462-V1995 HydrophobicContact CZ-CG2 4.28Å
463	V	47.7	Very low	47.5	Very low	36 Å²	36	56 Å²	56	22%	0.218	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.4	-179.7	-175.5	0	0	0	0	108.5	L253 S254 I255 I461 T478	L253-V463 PolarHBondContact O-N 3.49Å; S254-V463 CarbonylContact C-O 3.56Å; S254-V463 VanDerWaalsContact CA-O 3.3Å; S254-V463 WeakPolarHBondContact CA-O 3.07Å; I255-V463 PolarHBondContact N-O 3.22Å; I461-V463 HydrophobicContact CG2-CG2 4.1Å; V463-T478 HydrophobicContact CG2-CG2 4.41Å
464	F	44.8	Very low	48	Very low	35 Å²	35	50.8 Å²	50.8	15%	0.154	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.2	179.5	-177.8	-101.3	0	0	0	108.7	I255 L466 E476 S477 V1994 V2036	I255-F464 HydrophobicContact CB-CD2 4.17Å; I255-F464 HydrophobicContact CG2-CD2 4.04Å; I255-F464 HydrophobicContact CG2-CE2 4.09Å; F464-L466 HydrophobicContact CD1-CB 4.34Å; F464-L466 HydrophobicContact CE1-CB 3.64Å; F464-L466 HydrophobicContact CE1-CD2 3.74Å; F464-L466 HydrophobicContact CE1-CG 4.3Å; F464-L466 HydrophobicContact CZ-CB 4.08Å; F464-L466 HydrophobicContact CZ-CD2 4.05Å; F464-E476 CarbonylContact O-C 3.54Å; F464-E476 WeakPolarHBondContact O-CA 3.48Å; F464-S477 PolarHBondContact N-O 2.84Å; F464-S477 PolarHBondContact O-N 2.99Å; F464-V1994 HydrophobicContact CD2-CG1 4.15Å; F464-V1994 HydrophobicContact CD2-CG2 4.38Å; F464-V1994 HydrophobicContact CE2-CG2 4.42Å; F464-V2036 HydrophobicContact CE1-CG2 3.98Å; F464-V2036 HydrophobicContact CZ-CG2 3.83Å
465	S	35.6	Very low	47.6	Very low	33 Å²	33	48.2 Å²	48.2	23%	0.231	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.8	178.3	-174.2	0	0	0	0	109.8	I255 T256 V257 V475	I255-S465 PolarHBondContact O-N 2.95Å; T256-S465 WeakPolarHBondContact CA-O 3.29Å; V257-S465 PolarHBondContact N-O 3.27Å; S465-V475 WeakPolarHBondContact CA-O 3.17Å
466	L	37.6	Very low	47.5	Very low	12 Å²	12	51.1 Å²	51.1	6%	0.063	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	133.2	-170.1	171.3	63.4	0	0	0	111	V257 L260 F464 L468 V475	V257-L466 HydrophobicContact CB-CD1 3.69Å; V257-L466 HydrophobicContact CG1-CD1 3.7Å; V257-L466 HydrophobicContact CG2-CD1 4.34Å; L260-L466 HydrophobicContact CB-CD1 3.93Å; L260-L466 HydrophobicContact CD2-CD1 4.09Å; F464-L466 HydrophobicContact CD1-CB 4.34Å; F464-L466 HydrophobicContact CE1-CB 3.64Å; F464-L466 HydrophobicContact CE1-CD2 3.74Å; F464-L466 HydrophobicContact CE1-CG 4.3Å; F464-L466 HydrophobicContact CZ-CB 4.08Å; F464-L466 HydrophobicContact CZ-CD2 4.05Å; L466-L468 HydrophobicContact CD2-CD1 4.11Å; L466-L468 HydrophobicContact CG-CB 4.26Å; L466-V475 PolarHBondContact N-O 2.88Å; L466-V475 WeakPolarHBondContact O-CB 3Å; L466-V475 PolarHBondContact O-N 3.26Å
467	V	35.2	Very low	47.1	Very low	45 Å²	45	48.3 Å²	48.3	27%	0.273	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.3	164.9	-176.2	0	0	0	0	108.4	V257 D258 K259 L260	V257-V467 PolarHBondContact O-N 2.84Å; D258-V467 WeakPolarHBondContact O-CB 3.35Å; K259-V467 CarbonylContact C-O 3.44Å; L260-V467 PolarHBondContact N-O 3.1Å
468	L	34.7	Very low	46.8	Very low	31 Å²	31	43.5 Å²	43.5	16%	0.162	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116.3	-169.2	-175.9	156	0	0	0	109.8	L260 L466 M470 G471 L472	L260-L468 HydrophobicContact CD2-CD1 4.07Å; L260-L468 HydrophobicContact CD2-CG 4.4Å; L466-L468 HydrophobicContact CD2-CD1 4.11Å; L466-L468 HydrophobicContact CG-CB 4.26Å; L468-M470 HydrophobicContact CD2-CB 3.48Å; L468-M470 VanDerWaalsContact CD2-CB 3.48Å; L468-M470 HydrophobicContact CD2-CG 3.65Å; L468-M470 HydrophobicContact CD2-SD 3.93Å; L468-M470 PolarHBondContact O-N 3.02Å; L468-G471 PolarHBondContact O-N 3.11Å; L468-L472 HydrophobicContact CB-CB 4.28Å; L468-L472 HydrophobicContact CD2-CB 4.44Å; L468-L472 PolarHBondContact N-O 2.73Å; L468-L472 PolarHBondContact O-N 3.25Å
469	E	41.1	Very low	46.8	Very low	96 Å²	96	43.6 Å²	43.6	45%	0.449	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	0.4	-165.2	-66.8	-167.2	132.7	0	0	114.8	K259 L260 G471	K259-E469 HydrophobicContact CB-CG 4.49Å; K259-E469 WeakPolarHBondContact CD-OE1 3.49Å; K259-E469 WeakPolarHBondContact CE-OE1 3.26Å; K259-E469 IonicContact NZ-OE1 3.55Å; K259-E469 PolarHBondContact NZ-OE1 3.26Å; L260-E469 PolarHBondContact O-N 2.88Å; E469-G471 PolarHBondContact O-N 3.02Å; E469-G471 VanDerWaalsContact O-N 3.14Å
470	M	39.1	Very low	47.2	Very low	127 Å²	127	44.5 Å²	44.5	63%	0.626	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	5.7	160	-49.8	173.3	60.8	0	0	113.1	L468	L468-M470 HydrophobicContact CD2-CB 3.48Å; L468-M470 VanDerWaalsContact CD2-CB 3.48Å; L468-M470 HydrophobicContact CD2-CG 3.65Å; L468-M470 HydrophobicContact CD2-SD 3.93Å; L468-M470 PolarHBondContact O-N 3.02Å
471	G	47.2	Very low	47.5	Very low	9 Å²	9	45.6 Å²	45.6	9%	0.093	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.5	7.9	171.3	0	0	0	0	0	115.3	L468 E469 Q473 E498	L468-G471 PolarHBondContact O-N 3.11Å; E469-G471 PolarHBondContact O-N 3.02Å; E469-G471 VanDerWaalsContact O-N 3.14Å; G471-Q473 PolarHBondContact O-N 3.31Å; G471-E498 CarbonylContact C-O 3.37Å; G471-E498 VanDerWaalsContact C-O 3.27Å; G471-E498 WeakPolarHBondContact CA-O 3.17Å; G471-E498 PolarHBondContact O-N 3.06Å
472	L	41.7	Very low	47.9	Very low	43 Å²	43	44.4 Å²	44.4	23%	0.225	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	101.4	171.4	-78.4	168.3	0	0	0	109.8	L468 V475 I494 F497	L468-L472 HydrophobicContact CB-CB 4.28Å; L468-L472 HydrophobicContact CD2-CB 4.44Å; L468-L472 PolarHBondContact N-O 2.73Å; L468-L472 PolarHBondContact O-N 3.25Å; L472-V475 HydrophobicContact CB-CG2 3.83Å; L472-V475 HydrophobicContact CD2-CG2 4.35Å; L472-I494 HydrophobicContact CD2-CD1 4.16Å; L472-I494 HydrophobicContact CD2-CG2 3.57Å; L472-F497 HydrophobicContact CD2-CB 3.97Å; L472-F497 HydrophobicContact CD2-CD2 3.41Å; L472-F497 VanDerWaalsContact CD2-CD2 3.41Å; L472-F497 HydrophobicContact CD2-CE2 4.03Å; L472-F497 HydrophobicContact CD2-CG 3.74Å; L472-F497 HydrophobicContact CG-CD2 3.88Å; L472-F497 HydrophobicContact CG-CE2 4.2Å
473	Q	52.1	Low	48.5	Very low	90 Å²	90	46.9 Å²	46.9	42%	0.421	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	146.2	173.5	-63.3	-170.7	5.7	0	0	110.9	G471 V475 G495 M496	G471-Q473 PolarHBondContact O-N 3.31Å; Q473-V475 PolarHBondContact O-N 3.31Å; Q473-G495 PolarHBondContact O-N 2.93Å; Q473-M496 HydrophobicContact CB-CB 4.17Å; Q473-M496 HydrophobicContact CB-CG 4.36Å; Q473-M496 HydrophobicContact CG-CE 4.41Å; Q473-M496 PolarHBondContact N-O 2.9Å; Q473-M496 PolarHBondContact O-N 2.8Å
474	T	52.9	Low	49	Very low	76 Å²	76	47.9 Å²	47.9	47%	0.466	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46	59.2	176.6	40.4	0	0	0	0	113.3	E476 G495	T474-E476 PolarHBondContact O-N 3.49Å; T474-G495 PolarHBondContact O-N 3.3Å; T474-G495 WeakPolarHBondContact OG1-CA 3.42Å
475	V	46	Very low	49.6	Very low	21 Å²	21	47.3 Å²	47.3	13%	0.127	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	100.9	169.4	-176.5	0	0	0	0	108.8	S465 L466 L472 Q473 K493 I494	S465-V475 WeakPolarHBondContact CA-O 3.17Å; L466-V475 PolarHBondContact N-O 2.88Å; L466-V475 WeakPolarHBondContact O-CB 3Å; L466-V475 PolarHBondContact O-N 3.26Å; L472-V475 HydrophobicContact CB-CG2 3.83Å; L472-V475 HydrophobicContact CD2-CG2 4.35Å; Q473-V475 PolarHBondContact O-N 3.31Å; V475-K493 CarbonylContact C-O 3.54Å; V475-K493 WeakPolarHBondContact CA-O 3.29Å; V475-I494 HydrophobicContact CG1-CG1 4.49Å; V475-I494 HydrophobicContact CG2-CG1 4.41Å; V475-I494 HydrophobicContact CG2-CG2 4.39Å
476	E	55.6	Low	50.8	Low	101 Å²	101	50.7 Å²	50.7	47%	0.472	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	137.5	170	-59.3	-169.4	148.5	0	0	109.9	F464 T474 K493	F464-E476 CarbonylContact O-C 3.54Å; F464-E476 WeakPolarHBondContact O-CA 3.48Å; T474-E476 PolarHBondContact O-N 3.49Å; E476-K493 HydrophobicContact CB-CB 4.32Å; E476-K493 PolarHBondContact N-O 2.91Å; E476-K493 PolarHBondContact O-N 2.84Å
477	S	49.4	Very low	51.9	Low	16 Å²	16	50.3 Å²	50.3	11%	0.112	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	119	171.3	-70.2	0	0	0	0	110.5	F464 E491 S492	F464-S477 PolarHBondContact N-O 2.84Å; F464-S477 PolarHBondContact O-N 2.99Å; S477-E491 CarbonylContact C-O 3.53Å; S477-E491 WeakPolarHBondContact CA-O 3.1Å; S477-S492 PolarHBondContact OG-OG 3.34Å
478	T	55.7	Low	53	Low	33 Å²	33	49.1 Å²	49.1	20%	0.202	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.4	176.3	-63	0	0	0	0	109.2	I461 F462 V463 E480 E491	I461-T478 HydrophobicContact CG2-CG2 4.14Å; F462-T478 CarbonylContact O-C 3.56Å; F462-T478 WeakPolarHBondContact O-CA 3.23Å; V463-T478 HydrophobicContact CG2-CG2 4.41Å; T478-E480 HydrophobicContact CG2-CG 4.34Å; T478-E491 PolarHBondContact N-O 2.79Å; T478-E491 PolarHBondContact O-N 2.9Å
479	L	56.2	Low	54.7	Low	8 Å²	8	49.7 Å²	49.7	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.7	169.1	-166.6	154.1	0	0	0	110.5	F462 M481 I488 K489 F490 I1991	F462-L479 PolarHBondContact N-O 2.86Å; F462-L479 PolarHBondContact O-N 2.83Å; L479-M481 HydrophobicContact CD2-CG 3.39Å; L479-I488 HydrophobicContact CD1-CG2 4.09Å; L479-I488 HydrophobicContact CD2-CG2 3.92Å; L479-I488 HydrophobicContact CG-CG2 4.04Å; L479-K489 CarbonylContact C-O 3.51Å; L479-K489 WeakPolarHBondContact CA-O 3.47Å; L479-F490 HydrophobicContact CB-CD2 3.99Å; L479-F490 HydrophobicContact CD1-CB 4.23Å; L479-F490 HydrophobicContact CD1-CD2 3.76Å; L479-F490 HydrophobicContact CD1-CG 4.37Å; L479-F490 HydrophobicContact CG-CB 4.41Å; L479-F490 HydrophobicContact CG-CD2 4.13Å; L479-I1991 HydrophobicContact CD1-CD1 3.61Å; L479-I1991 HydrophobicContact CD1-CG1 3.96Å; L479-I1991 HydrophobicContact CD2-CD1 3.31Å; L479-I1991 HydrophobicContact CD2-CG1 4.08Å; L479-I1991 HydrophobicContact CG-CD1 4Å; L479-I1991 HydrophobicContact CG-CG1 4.4Å
480	E	64.5	Low	55.6	Low	43 Å²	43	45.5 Å²	45.5	20%	0.201	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.6	174.8	-58.8	165.1	-138.9	0	0	109	T459 N460 I461 T478 I488 K489	T459-E480 HydrophobicContact CG2-CB 4.31Å; N460-E480 CarbonylContact O-C 3.54Å; N460-E480 VanDerWaalsContact O-CA 3.3Å; N460-E480 WeakPolarHBondContact O-CA 3.21Å; I461-E480 HydrophobicContact CD1-CG 4.49Å; I461-E480 HydrophobicContact CG1-CG 4.18Å; I461-E480 HydrophobicContact CG2-CG 4.33Å; T478-E480 HydrophobicContact CG2-CG 4.34Å; E480-I488 WeakPolarHBondContact O-CA 3.34Å; E480-K489 HydrophobicContact CB-CB 4.28Å; E480-K489 PolarHBondContact N-O 3.14Å; E480-K489 PolarHBondContact O-N 3.16Å; E480-K489 IonicContact OE1-NZ 3.36Å; E480-K489 PolarHBondContact OE1-NZ 2.95Å
481	M	56.3	Low	56.8	Low	48 Å²	48	41.2 Å²	41.2	24%	0.236	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131.3	169.6	-56.2	-172.2	85.3	0	0	108.8	T459 N460 F462 L479 P483 I488 I1991	T459-M481 CarbonylContact C-O 3.48Å; T459-M481 VanDerWaalsContact CA-O 3.28Å; T459-M481 WeakPolarHBondContact CA-O 3.43Å; N460-M481 HydrophobicContact CB-CB 4.45Å; N460-M481 PolarHBondContact N-O 2.78Å; N460-M481 PolarHBondContact O-N 3.49Å; F462-M481 HydrophobicContact CE2-CG 4.32Å; F462-M481 HydrophobicContact CE2-SD 4.17Å; L479-M481 HydrophobicContact CD2-CG 3.39Å; M481-P483 WeakPolarHBondContact O-CD 3.45Å; M481-I488 HydrophobicContact CE-CD1 4.17Å; M481-I488 HydrophobicContact CE-CG1 4.33Å; M481-I1991 HydrophobicContact CE-CD1 4.35Å; M481-I1991 HydrophobicContact CG-CD1 4.01Å; M481-I1991 HydrophobicContact SD-CD1 3.66Å
482	R	65.8	Low	57.2	Low	6 Å²	6	41.6 Å²	41.6	2%	0.023	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	88	170.9	-74.3	-173.4	-82	121.7	-5.4	108.9	V458 T459 S484 A485 S486 A487 E535 T536 N537	V458-R482 WeakPolarHBondContact O-CA 3.41Å; T459-R482 HydrophobicContact CG2-CG 3.6Å; R482-S484 PolarHBondContact O-N 2.8Å; R482-A485 HydrophobicContact CB-CB 4.37Å; R482-A485 PolarHBondContact O-N 3.39Å; R482-S486 PolarHBondContact O-N 3.47Å; R482-A487 HydrophobicContact CB-CB 3.93Å; R482-A487 PolarHBondContact N-O 3.29Å; R482-A487 PolarHBondContact O-N 2.94Å; R482-A487 VanDerWaalsContact O-N 3.11Å; R482-E535 IonicContact CZ-OE1 3.83Å; R482-E535 IonicContact NH2-OE1 2.84Å; R482-E535 PolarHBondContact NH2-OE1 2.88Å; R482-T536 PolarHBondContact NH2-O 2.91Å; R482-N537 PolarHBondContact NH1-O 3.44Å; R482-N537 PolarHBondContact NH2-O 2.55Å
483	P	59.3	Low	58.1	Low	76 Å²	76	43 Å²	43	49%	0.494	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-61.9	-41.6	-166.8	-23.5	35.2	0	0	0	113.3	V458 M481 A485 S486	V458-P483 WeakPolarHBondContact O-CD 3.34Å; M481-P483 WeakPolarHBondContact O-CD 3.45Å; P483-A485 VanDerWaalsContact C-N 3.27Å; P483-A485 PolarHBondContact O-N 2.81Å; P483-S486 PolarHBondContact O-N 2.88Å
484	S	57.5	Low	58.6	Low	57 Å²	57	40 Å²	40	40%	0.399	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-61.3	-34.3	-179.2	-16.1	0	0	0	0	112.7	Y454 P455 R482	Y454-S484 WeakPolarHBondContact CB-OG 3.2Å; Y454-S484 WeakPolarHBondContact O-CB 3.39Å; Y454-S484 PolarHBondContact O-OG 2.7Å; P455-S484 WeakPolarHBondContact O-CB 3.38Å; P455-S484 PolarHBondContact O-OG 3.39Å; R482-S484 PolarHBondContact O-N 2.8Å
485	A	59	Low	58.9	Low	23 Å²	23	37.2 Å²	37.2	19%	0.19	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-93.4	2	-179	0	0	0	0	0	113.8	P456 R482 P483 A487 N537	P456-A485 HydrophobicContact CB-CB 4.17Å; R482-A485 HydrophobicContact CB-CB 4.37Å; R482-A485 PolarHBondContact O-N 3.39Å; P483-A485 VanDerWaalsContact C-N 3.27Å; P483-A485 PolarHBondContact O-N 2.81Å; A485-A487 HydrophobicContact CB-CB 3.87Å; A485-A487 PolarHBondContact O-N 3.32Å; A485-A487 VanDerWaalsContact O-N 3.17Å; A485-N537 PolarHBondContact O-ND2 3.36Å
486	S	60.6	Low	59.6	Low	104 Å²	104	38.2 Å²	38.2	73%	0.727	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	33.9	-167.7	-63	0	0	0	0	113.1	R482 P483	R482-S486 PolarHBondContact O-N 3.47Å; P483-S486 PolarHBondContact O-N 2.88Å
487	A	59.3	Low	59.8	Low	3 Å²	3	36.1 Å²	36.1	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	145.6	-169.3	0	0	0	0	0	111.7	R482 A485 T536 N537	R482-A487 HydrophobicContact CB-CB 3.93Å; R482-A487 PolarHBondContact N-O 3.29Å; R482-A487 PolarHBondContact O-N 2.94Å; R482-A487 VanDerWaalsContact O-N 3.11Å; A485-A487 HydrophobicContact CB-CB 3.87Å; A485-A487 PolarHBondContact O-N 3.32Å; A485-A487 VanDerWaalsContact O-N 3.17Å; A487-T536 WeakPolarHBondContact CA-OG1 3.39Å; A487-T536 VanDerWaalsContact CB-O 3.23Å; A487-T536 WeakPolarHBondContact CB-O 3.28Å; A487-N537 HydrophobicContact CB-CB 4.17Å
488	I	59	Low	60.2	Low	20 Å²	20	36.4 Å²	36.4	10%	0.103	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	127.1	177.3	-65.1	168.7	0	0	0	107.2	L479 E480 M481 E535 T536 A1984	L479-I488 HydrophobicContact CD1-CG2 4.09Å; L479-I488 HydrophobicContact CD2-CG2 3.92Å; L479-I488 HydrophobicContact CG-CG2 4.04Å; E480-I488 WeakPolarHBondContact O-CA 3.34Å; M481-I488 HydrophobicContact CE-CD1 4.17Å; M481-I488 HydrophobicContact CE-CG1 4.33Å; I488-E535 WeakPolarHBondContact O-CA 3.17Å; I488-T536 PolarHBondContact N-OG1 3.05Å; I488-T536 PolarHBondContact O-N 2.83Å; I488-A1984 HydrophobicContact CD1-CB 3.71Å
489	K	69.6	Low	60.4	Low	43 Å²	43	37.8 Å²	37.8	19%	0.187	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.2	162.5	173.9	-169.4	165.7	-138.6	0	107.7	L479 E480 E491 F534 E535	L479-K489 CarbonylContact C-O 3.51Å; L479-K489 WeakPolarHBondContact CA-O 3.47Å; E480-K489 HydrophobicContact CB-CB 4.28Å; E480-K489 PolarHBondContact N-O 3.14Å; E480-K489 PolarHBondContact O-N 3.16Å; E480-K489 IonicContact OE1-NZ 3.36Å; E480-K489 PolarHBondContact OE1-NZ 2.95Å; K489-E491 WeakPolarHBondContact CE-OE2 3.44Å; K489-E491 IonicContact NZ-OE2 3.57Å; K489-E491 PolarHBondContact NZ-OE2 3.23Å; K489-F534 CarbonylContact C-O 3.57Å; K489-F534 WeakPolarHBondContact CA-O 3.01Å; K489-E535 HydrophobicContact CB-CB 4.27Å; K489-E535 HydrophobicContact CB-CG 4.16Å; K489-E535 HydrophobicContact CG-CB 4.39Å
490	F	61.7	Low	60.8	Low	8 Å²	8	42.8 Å²	42.8	4%	0.035	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.6	170.4	178.6	-112.5	0	0	0	109.2	L479 F532 N533 F534 F2039	L479-F490 HydrophobicContact CB-CD2 3.99Å; L479-F490 HydrophobicContact CD1-CB 4.23Å; L479-F490 HydrophobicContact CD1-CD2 3.76Å; L479-F490 HydrophobicContact CD1-CG 4.37Å; L479-F490 HydrophobicContact CG-CB 4.41Å; L479-F490 HydrophobicContact CG-CD2 4.13Å; F490-F532 AromaticContact CD1-CD1 3.97Å; F490-F532 HydrophobicContact CD1-CD1 3.97Å; F490-F532 HydrophobicContact CD1-CE1 4.01Å; F490-F532 AromaticContact CE1-CD1 3.98Å; F490-F532 HydrophobicContact CE1-CD1 3.98Å; F490-F532 HydrophobicContact CE1-CE1 4.31Å; F490-N533 CarbonylContact O-C 2.85Å; F490-N533 VanDerWaalsContact O-CA 3.25Å; F490-N533 WeakPolarHBondContact O-CA 3.38Å; F490-F534 PolarHBondContact N-O 3.37Å; F490-F534 PolarHBondContact O-N 3.18Å; F490-F2039 HydrophobicContact CD1-CE2 4.48Å; F490-F2039 AromaticContact CE1-CE2 3.63Å; F490-F2039 HydrophobicContact CE1-CE2 3.63Å; F490-F2039 AromaticContact CE1-CZ 3.53Å; F490-F2039 HydrophobicContact CE1-CZ 3.53Å; F490-F2039 AromaticContact CE2-CE2 3.9Å; F490-F2039 HydrophobicContact CE2-CE2 3.9Å; F490-F2039 HydrophobicContact CE2-CZ 4.16Å; F490-F2039 HydrophobicContact CZ-CD2 4.45Å; F490-F2039 HydrophobicContact CZ-CE1 4.25Å; F490-F2039 AromaticContact CZ-CE2 3.29Å; F490-F2039 HydrophobicContact CZ-CE2 3.29Å; F490-F2039 AromaticContact CZ-CZ 3.18Å; F490-F2039 HydrophobicContact CZ-CZ 3.18Å
491	E	63.4	Low	60.7	Low	37 Å²	37	41.2 Å²	41.2	17%	0.173	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	120.2	-177.8	165.2	164.1	-179.5	0	0	108.3	S477 T478 K489 K493 F532 N533	S477-E491 CarbonylContact C-O 3.53Å; S477-E491 WeakPolarHBondContact CA-O 3.1Å; T478-E491 PolarHBondContact N-O 2.79Å; T478-E491 PolarHBondContact O-N 2.9Å; K489-E491 WeakPolarHBondContact CE-OE2 3.44Å; K489-E491 IonicContact NZ-OE2 3.57Å; K489-E491 PolarHBondContact NZ-OE2 3.23Å; E491-K493 WeakPolarHBondContact OE1-CE 3.35Å; E491-K493 IonicContact OE1-NZ 3.19Å; E491-K493 PolarHBondContact OE1-NZ 2.71Å; E491-F532 CarbonylContact C-O 3.26Å; E491-F532 WeakPolarHBondContact CA-O 3.38Å; E491-N533 VanDerWaalsContact CG-OD1 3.29Å; E491-N533 WeakPolarHBondContact CG-OD1 3Å
492	S	56	Low	61	Low	18 Å²	18	42.2 Å²	42.2	13%	0.126	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.3	-177.2	-166	0	0	0	0	110.1	S477 T531 F532	S477-S492 PolarHBondContact OG-OG 3.34Å; S492-T531 CarbonylContact O-C 3.45Å; S492-T531 WeakPolarHBondContact O-CA 3.16Å; S492-F532 PolarHBondContact N-O 2.64Å; S492-F532 PolarHBondContact O-N 2.9Å
493	K	61.2	Low	60.7	Low	71 Å²	71	42.8 Å²	42.8	31%	0.309	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.5	-180	-79.1	158.6	173.6	160.2	0	108.6	V475 E476 E491 L530 T531	V475-K493 CarbonylContact C-O 3.54Å; V475-K493 WeakPolarHBondContact CA-O 3.29Å; E476-K493 HydrophobicContact CB-CB 4.32Å; E476-K493 PolarHBondContact N-O 2.91Å; E476-K493 PolarHBondContact O-N 2.84Å; E491-K493 WeakPolarHBondContact OE1-CE 3.35Å; E491-K493 IonicContact OE1-NZ 3.19Å; E491-K493 PolarHBondContact OE1-NZ 2.71Å; K493-L530 CarbonylContact C-O 3.58Å; K493-L530 VanDerWaalsContact CA-O 3.3Å; K493-L530 WeakPolarHBondContact CA-O 3.24Å; K493-T531 HydrophobicContact CG-CG2 4.37Å; K493-T531 WeakPolarHBondContact CG-OG1 3.29Å
494	I	60.8	Low	60.7	Low	29 Å²	29	45 Å²	45	15%	0.149	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.8	167.3	-58.4	176.3	0	0	0	105.3	L472 V475 F497 S528 Q529 L530	L472-I494 HydrophobicContact CD2-CD1 4.16Å; L472-I494 HydrophobicContact CD2-CG2 3.57Å; V475-I494 HydrophobicContact CG1-CG1 4.49Å; V475-I494 HydrophobicContact CG2-CG1 4.41Å; V475-I494 HydrophobicContact CG2-CG2 4.39Å; I494-F497 HydrophobicContact CG2-CB 4.17Å; I494-S528 CarbonylContact O-C 3.47Å; I494-S528 VanDerWaalsContact O-C 3.3Å; I494-S528 VanDerWaalsContact O-CA 3.32Å; I494-S528 WeakPolarHBondContact O-CA 3.45Å; I494-Q529 PolarHBondContact O-N 2.71Å; I494-L530 HydrophobicContact CB-CB 4.13Å; I494-L530 HydrophobicContact CD1-CB 4.18Å; I494-L530 HydrophobicContact CD1-CD2 3.93Å; I494-L530 HydrophobicContact CG1-CB 4.32Å; I494-L530 PolarHBondContact N-O 3.38Å; I494-L530 PolarHBondContact O-N 3.12Å
495	G	60.2	Low	60.6	Low	16 Å²	16	47.7 Å²	47.7	17%	0.165	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-65.5	178.4	0	0	0	0	0	111.3	Q473 T474 Q529	Q473-G495 PolarHBondContact O-N 2.93Å; T474-G495 PolarHBondContact O-N 3.3Å; T474-G495 WeakPolarHBondContact OG1-CA 3.42Å; G495-Q529 WeakPolarHBondContact O-CB 3.48Å; G495-Q529 PolarHBondContact O-N 2.85Å
496	M	60.9	Low	60.3	Low	43 Å²	43	49.5 Å²	49.5	21%	0.212	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.2	177.5	153.4	171.2	153.5	0	0	110.5	Q473 E498 P516	Q473-M496 HydrophobicContact CB-CB 4.17Å; Q473-M496 HydrophobicContact CB-CG 4.36Å; Q473-M496 HydrophobicContact CG-CE 4.41Å; Q473-M496 PolarHBondContact N-O 2.9Å; Q473-M496 PolarHBondContact O-N 2.8Å; M496-E498 HydrophobicContact CE-CB 3.88Å; M496-E498 HydrophobicContact CE-CG 4.28Å; M496-E498 VanDerWaalsContact CE-OE2 3.23Å; M496-E498 WeakPolarHBondContact CE-OE2 3.43Å; M496-P516 HydrophobicContact CB-CG 4.13Å; M496-P516 HydrophobicContact CG-CG 3.7Å; M496-P516 HydrophobicContact SD-CG 4.19Å
497	F	59.7	Low	59.6	Low	56 Å²	56	53.7 Å²	53.7	25%	0.246	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	114.6	170.1	-174.6	-162.5	0	0	0	108.6	L472 I494 I499 L514 S515 P516 Q529 L554	L472-F497 HydrophobicContact CD2-CB 3.97Å; L472-F497 HydrophobicContact CD2-CD2 3.41Å; L472-F497 VanDerWaalsContact CD2-CD2 3.41Å; L472-F497 HydrophobicContact CD2-CE2 4.03Å; L472-F497 HydrophobicContact CD2-CG 3.74Å; L472-F497 HydrophobicContact CG-CD2 3.88Å; L472-F497 HydrophobicContact CG-CE2 4.2Å; I494-F497 HydrophobicContact CG2-CB 4.17Å; F497-I499 HydrophobicContact CE2-CD1 3.96Å; F497-I499 HydrophobicContact CE2-CG1 3.77Å; F497-I499 HydrophobicContact CZ-CD1 4.06Å; F497-I499 HydrophobicContact CZ-CG1 4.35Å; F497-L514 HydrophobicContact CB-CD2 4.12Å; F497-L514 HydrophobicContact CD1-CD1 4.28Å; F497-L514 HydrophobicContact CD1-CD2 3.61Å; F497-L514 HydrophobicContact CD2-CD2 3.78Å; F497-L514 HydrophobicContact CE1-CD1 3.73Å; F497-L514 HydrophobicContact CE1-CD2 3.9Å; F497-L514 HydrophobicContact CE2-CD1 4.35Å; F497-L514 HydrophobicContact CE2-CD2 4.05Å; F497-L514 HydrophobicContact CG-CD2 3.55Å; F497-L514 HydrophobicContact CZ-CD1 3.77Å; F497-L514 HydrophobicContact CZ-CD2 4.1Å; F497-L514 VanDerWaalsContact O-CD2 3.23Å; F497-L514 WeakPolarHBondContact O-CD2 3.42Å; F497-S515 CarbonylContact O-C 3.5Å; F497-S515 WeakPolarHBondContact O-CA 3.38Å; F497-P516 WeakPolarHBondContact O-CD 3.18Å; F497-Q529 HydrophobicContact CB-CG 3.97Å; F497-L554 HydrophobicContact CB-CD2 4.25Å; F497-L554 HydrophobicContact CD1-CD1 4.12Å; F497-L554 HydrophobicContact CD1-CD2 4.26Å
498	E	56.8	Low	59	Low	22 Å²	22	61.8 Å²	61.8	10%	0.103	31%	0.306	C	S	.	.			trans	-122.9	158.6	172.6	-159.7	-176.8	-159.1	0	0	108.6	G471 M496 K500 L514	G471-E498 CarbonylContact C-O 3.37Å; G471-E498 VanDerWaalsContact C-O 3.27Å; G471-E498 WeakPolarHBondContact CA-O 3.17Å; G471-E498 PolarHBondContact O-N 3.06Å; M496-E498 HydrophobicContact CE-CB 3.88Å; M496-E498 HydrophobicContact CE-CG 4.28Å; M496-E498 VanDerWaalsContact CE-OE2 3.23Å; M496-E498 WeakPolarHBondContact CE-OE2 3.43Å; E498-K500 VanDerWaalsContact CD-CE 3.43Å; E498-K500 HydrophobicContact CG-CG 4.14Å; E498-K500 WeakPolarHBondContact OE1-CE 3.49Å; E498-K500 IonicContact OE1-NZ 3.74Å; E498-K500 PolarHBondContact OE1-NZ 3.03Å; E498-K500 WeakPolarHBondContact OE2-CD 3.4Å; E498-K500 WeakPolarHBondContact OE2-CE 3.4Å; E498-K500 IonicContact OE2-NZ 3.7Å; E498-K500 PolarHBondContact OE2-NZ 3.12Å; E498-L514 CarbonylContact C-O 3.55Å; E498-L514 WeakPolarHBondContact CA-O 3.49Å; E498-L514 WeakPolarHBondContact CG-O 3.2Å
499	I	61.6	Low	58.7	Low	62 Å²	62	62.7 Å²	62.7	32%	0.318	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	126.1	161.7	-61.2	177.3	0	0	0	106.1	F497 P512 I513 L514	F497-I499 HydrophobicContact CE2-CD1 3.96Å; F497-I499 HydrophobicContact CE2-CG1 3.77Å; F497-I499 HydrophobicContact CZ-CD1 4.06Å; F497-I499 HydrophobicContact CZ-CG1 4.35Å; I499-P512 CarbonylContact O-C 3.3Å; I499-I513 HydrophobicContact CB-CB 4.3Å; I499-I513 HydrophobicContact CG2-CB 4.14Å; I499-I513 HydrophobicContact CG2-CD1 4.43Å; I499-I513 HydrophobicContact CG2-CG2 4.41Å; I499-I513 PolarHBondContact O-N 2.96Å; I499-L514 HydrophobicContact CB-CB 3.77Å; I499-L514 HydrophobicContact CD1-CB 4.08Å; I499-L514 HydrophobicContact CD1-CD1 3.98Å; I499-L514 HydrophobicContact CG1-CB 3.84Å; I499-L514 HydrophobicContact CG1-CD1 4.42Å; I499-L514 PolarHBondContact N-O 2.78Å; I499-L514 PolarHBondContact O-N 2.93Å; I499-L514 VanDerWaalsContact O-N 3.13Å
500	K	63.3	Low	58.2	Low	114 Å²	114	64.5 Å²	64.5	50%	0.496	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.8	-175.9	-80.4	173.9	146	133.7	0	110.9	E498 V510 V511	E498-K500 VanDerWaalsContact CD-CE 3.43Å; E498-K500 HydrophobicContact CG-CG 4.14Å; E498-K500 WeakPolarHBondContact OE1-CE 3.49Å; E498-K500 IonicContact OE1-NZ 3.74Å; E498-K500 PolarHBondContact OE1-NZ 3.03Å; E498-K500 WeakPolarHBondContact OE2-CD 3.4Å; E498-K500 WeakPolarHBondContact OE2-CE 3.4Å; E498-K500 IonicContact OE2-NZ 3.7Å; E498-K500 PolarHBondContact OE2-NZ 3.12Å; K500-V510 HydrophobicContact CB-CG1 3.56Å; K500-V510 HydrophobicContact CD-CG1 3.52Å; K500-V510 HydrophobicContact CG-CG1 3.52Å; K500-V511 WeakPolarHBondContact CA-O 3.49Å
501	G	62.5	Low	58.3	Low	9 Å²	9	64.3 Å²	64.3	9%	0.093	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	155.4	173	0	0	0	0	0	111.6	V511 S562	G501-V511 PolarHBondContact N-O 2.93Å; G501-V511 PolarHBondContact O-N 3.46Å; G501-S562 WeakPolarHBondContact CA-OG 3.42Å
502	S	62.7	Low	58.4	Low	69 Å²	69	63.5 Å²	63.5	48%	0.483	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	154.6	165.3	48.3	0	0	0	0	111.3	H559 Y561 S562	S502-H559 PolarHBondContact O-CE1 2.72Å; S502-Y561 WeakPolarHBondContact O-CD1 3.48Å; S502-S562 PolarHBondContact O-OG 3.46Å
503	D	60.8	Low	58.9	Low	19 Å²	19	64.1 Å²	64.1	10%	0.102	33%	0.33	C	S	.	.			trans	-95.7	168.7	161.1	-179.1	45.3	0	0	0	111.3	K505 Y561	D503-K505 VanDerWaalsContact OD2-CB 3.24Å; D503-K505 WeakPolarHBondContact OD2-CB 3.46Å; D503-K505 WeakPolarHBondContact OD2-CG 3.48Å; D503-K505 PolarHBondContact OD2-N 2.81Å; D503-Y561 VanDerWaalsContact C-CE1 3.4Å
504	E	58.7	Low	58.9	Low	121 Å²	121	61.6 Å²	61.6	57%	0.565	32%	0.32	S	S	*	.	S	Bend	trans	-85.1	-29.1	176.6	-165.8	149	-125.1	0	0	113.2	Y561 R565	E504-Y561 HydrophobicContact CB-CD1 4.27Å; E504-Y561 HydrophobicContact CB-CD2 3.96Å; E504-Y561 HydrophobicContact CB-CE1 3.93Å; E504-Y561 HydrophobicContact CB-CE2 3.62Å; E504-Y561 HydrophobicContact CB-CG 4.27Å; E504-Y561 HydrophobicContact CG-CE2 3.81Å; E504-Y561 WeakPolarHBondContact OE1-CE2 3.43Å; E504-Y561 PolarHBondContact OE1-OH 2.78Å; E504-R565 IonicContact OE1-CZ 3.9Å; E504-R565 IonicContact OE1-NH2 3.55Å; E504-R565 PolarHBondContact OE1-NH2 3.49Å
505	K	54.8	Low	59	Low	114 Å²	114	60.8 Å²	60.8	50%	0.496	32%	0.317	S	S	.	.	S	Bend	trans	-83	-18.2	-171.2	-50.5	164.3	-165.5	142.6	0	113.1	D503 D628 E630	D503-K505 VanDerWaalsContact OD2-CB 3.24Å; D503-K505 WeakPolarHBondContact OD2-CB 3.46Å; D503-K505 WeakPolarHBondContact OD2-CG 3.48Å; D503-K505 PolarHBondContact OD2-N 2.81Å; K505-D628 VanDerWaalsContact NZ-CG 3.28Å; K505-D628 IonicContact NZ-OD1 3.73Å; K505-D628 PolarHBondContact NZ-OD1 3.37Å; K505-D628 IonicContact NZ-OD2 2.72Å; K505-D628 PolarHBondContact NZ-OD2 3.32Å; K505-E630 IonicContact NZ-OE2 3.74Å; K505-E630 PolarHBondContact NZ-OE2 3.09Å
506	T	52.3	Low	59.2	Low	62 Å²	62	61 Å²	61	38%	0.38	32%	0.315	S	S	.	.			trans	-149.1	110.8	-168.9	36.8	0	0	0	0	111.6	H508 A509	T506-H508 PolarHBondContact O-N 2.89Å; T506-A509 PolarHBondContact O-N 2.96Å; T506-A509 VanDerWaalsContact O-N 3.14Å; T506-A509 WeakPolarHBondContact OG1-CB 3.45Å
507	E	46.7	Very low	59.2	Low	192 Å²	192	62.3 Å²	62.3	90%	0.897	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-3.3	-179.7	-60.8	-172.7	133.2	0	0	114.5
508	H	47.3	Very low	58.9	Low	173 Å²	173	65.5 Å²	65.5	80%	0.801	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-1.4	-179.6	-59.9	-15.1	0	0	0	113.8	T506	T506-H508 PolarHBondContact O-N 2.89Å
509	A	50.9	Low	58.4	Low	38 Å²	38	66.6 Å²	66.6	31%	0.314	36%	0.362	S	S	.	.			trans	-81.8	125.7	173.3	0	0	0	0	0	110.4	T506	T506-A509 PolarHBondContact O-N 2.96Å; T506-A509 VanDerWaalsContact O-N 3.14Å; T506-A509 WeakPolarHBondContact OG1-CB 3.45Å
510	V	59.1	Low	57.5	Low	81 Å²	81	71.9 Å²	71.9	49%	0.491	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	108	-174.1	-174.6	0	0	0	0	109.2	K500 P512	K500-V510 HydrophobicContact CB-CG1 3.56Å; K500-V510 HydrophobicContact CD-CG1 3.52Å; K500-V510 HydrophobicContact CG-CG1 3.52Å; V510-P512 WeakPolarHBondContact O-CD 3.49Å
511	V	64.6	Low	56.4	Low	4 Å²	4	74.9 Å²	74.9	2%	0.024	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	119.5	-176.1	173.1	0	0	0	0	110.4	K500 G501 I513 H559 Y629	K500-V511 WeakPolarHBondContact CA-O 3.49Å; G501-V511 PolarHBondContact N-O 2.93Å; G501-V511 PolarHBondContact O-N 3.46Å; V511-I513 PolarHBondContact O-N 2.82Å; V511-H559 HydrophobicContact CG1-CB 3.85Å; V511-Y629 HydrophobicContact CB-CG 4.26Å; V511-Y629 HydrophobicContact CG1-CD1 4.29Å; V511-Y629 HydrophobicContact CG1-CD2 3.52Å; V511-Y629 HydrophobicContact CG1-CE2 4.11Å; V511-Y629 HydrophobicContact CG1-CG 3.61Å; V511-Y629 HydrophobicContact CG2-CD1 3.88Å; V511-Y629 HydrophobicContact CG2-CG 3.8Å
512	P	65.7	Low	55.5	Low	20 Å²	20	83 Å²	83	13%	0.13	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	93.1	173.5	29.7	-33.5	0	0	0	111	I499 V510 L514 T557 Y629	I499-P512 CarbonylContact O-C 3.3Å; V510-P512 WeakPolarHBondContact O-CD 3.49Å; P512-L514 PolarHBondContact O-N 3.27Å; P512-T557 WeakPolarHBondContact O-CB 3.08Å; P512-T557 PolarHBondContact O-OG1 3.36Å; P512-Y629 HydrophobicContact CG-CE2 4.22Å; P512-Y629 WeakPolarHBondContact CG-OH 3.27Å
513	I	66.5	Low	54.7	Low	32 Å²	32	84.5 Å²	84.5	16%	0.164	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	-29.5	170.7	-60.8	174.1	0	0	0	110.6	I499 V511 I556 T557 H559	I499-I513 HydrophobicContact CB-CB 4.3Å; I499-I513 HydrophobicContact CG2-CB 4.14Å; I499-I513 HydrophobicContact CG2-CD1 4.43Å; I499-I513 HydrophobicContact CG2-CG2 4.41Å; I499-I513 PolarHBondContact O-N 2.96Å; V511-I513 PolarHBondContact O-N 2.82Å; I513-I556 CarbonylContact O-C 3.41Å; I513-T557 WeakPolarHBondContact CA-O 3.22Å; I513-T557 PolarHBondContact O-N 2.93Å; I513-H559 HydrophobicContact CG1-CB 4.18Å
514	L	62.1	Low	53.6	Low	17 Å²	17	86.8 Å²	86.8	9%	0.089	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	142.4	171.3	-167.9	153.9	0	0	0	107.1	F497 E498 I499 P512 L554 V555 I556	F497-L514 HydrophobicContact CB-CD2 4.12Å; F497-L514 HydrophobicContact CD1-CD1 4.28Å; F497-L514 HydrophobicContact CD1-CD2 3.61Å; F497-L514 HydrophobicContact CD2-CD2 3.78Å; F497-L514 HydrophobicContact CE1-CD1 3.73Å; F497-L514 HydrophobicContact CE1-CD2 3.9Å; F497-L514 HydrophobicContact CE2-CD1 4.35Å; F497-L514 HydrophobicContact CE2-CD2 4.05Å; F497-L514 HydrophobicContact CG-CD2 3.55Å; F497-L514 HydrophobicContact CZ-CD1 3.77Å; F497-L514 HydrophobicContact CZ-CD2 4.1Å; F497-L514 VanDerWaalsContact O-CD2 3.23Å; F497-L514 WeakPolarHBondContact O-CD2 3.42Å; E498-L514 CarbonylContact C-O 3.55Å; E498-L514 WeakPolarHBondContact CA-O 3.49Å; E498-L514 WeakPolarHBondContact CG-O 3.2Å; I499-L514 HydrophobicContact CB-CB 3.77Å; I499-L514 HydrophobicContact CD1-CB 4.08Å; I499-L514 HydrophobicContact CD1-CD1 3.98Å; I499-L514 HydrophobicContact CG1-CB 3.84Å; I499-L514 HydrophobicContact CG1-CD1 4.42Å; I499-L514 PolarHBondContact N-O 2.78Å; I499-L514 PolarHBondContact O-N 2.93Å; I499-L514 VanDerWaalsContact O-N 3.13Å; P512-L514 PolarHBondContact O-N 3.27Å; L514-L554 HydrophobicContact CD2-CD2 3.64Å; L514-L554 HydrophobicContact CG-CD2 4.47Å; L514-V555 CarbonylContact C-O 3.55Å; L514-V555 VanDerWaalsContact CA-O 3.24Å; L514-V555 WeakPolarHBondContact CA-O 3.24Å; L514-I556 HydrophobicContact CD1-CG1 4.37Å; L514-I556 HydrophobicContact CG-CG1 4.38Å
515	S	62.9	Low	52.8	Low	13 Å²	13	86.2 Å²	86.2	9%	0.091	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	167.5	174.6	65.5	0	0	0	0	111.5	F497 V555	F497-S515 CarbonylContact O-C 3.5Å; F497-S515 WeakPolarHBondContact O-CA 3.38Å; S515-V555 PolarHBondContact N-O 3.49Å; S515-V555 WeakPolarHBondContact O-CA 3Å; S515-V555 WeakPolarHBondContact O-CB 3.05Å; S515-V555 PolarHBondContact O-N 3.03Å
516	P	63.8	Low	52.4	Low	19 Å²	19	88.1 Å²	88.1	12%	0.123	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	153.4	166.9	-22.4	35	0	0	0	112	M496 F497 L518 Q529	M496-P516 HydrophobicContact CB-CG 4.13Å; M496-P516 HydrophobicContact CG-CG 3.7Å; M496-P516 HydrophobicContact SD-CG 4.19Å; F497-P516 WeakPolarHBondContact O-CD 3.18Å; P516-L518 VanDerWaalsContact C-N 3.29Å; P516-L518 PolarHBondContact O-N 2.76Å; P516-L518 VanDerWaalsContact O-N 3.08Å; P516-Q529 VanDerWaalsContact CA-OE1 3.27Å
517	V	60.7	Low	52.3	Low	72 Å²	72	89.9 Å²	89.9	44%	0.436	48%	0.482	S	S	.	.			trans	-74	93	154.5	179.8	0	0	0	0	107	G519 P553 V555 V620	V517-G519 PolarHBondContact O-N 2.7Å; V517-P553 HydrophobicContact CB-CB 3.8Å; V517-P553 HydrophobicContact CG2-CB 3.48Å; V517-P553 VanDerWaalsContact CG2-CB 3.48Å; V517-P553 PolarHBondContact N-O 2.87Å; V517-P553 VanDerWaalsContact N-O 3.16Å; V517-V555 HydrophobicContact CB-CG2 4.38Å; V517-V555 HydrophobicContact CG2-CG2 3.59Å; V517-V620 HydrophobicContact CG2-CB 4.41Å; V517-V620 HydrophobicContact CG2-CG2 3.99Å
518	L	53.8	Low	52.7	Low	123 Å²	123	82 Å²	82	64%	0.644	45%	0.447	S	S	*	.			trans	-58	116.8	178.9	-78.7	158.9	0	0	0	111.1	P516	P516-L518 VanDerWaalsContact C-N 3.29Å; P516-L518 PolarHBondContact O-N 2.76Å; P516-L518 VanDerWaalsContact O-N 3.08Å
519	G	46.8	Very low	53.3	Low	45 Å²	45	74.3 Å²	74.3	46%	0.464	41%	0.412	S	S	.	.			trans	-66.4	-173.1	148.9	0	0	0	0	0	110.5	V517	V517-G519 PolarHBondContact O-N 2.7Å
520	K	41.2	Very low	53.8	Low	172 Å²	172	75.4 Å²	75.4	75%	0.748	41%	0.412	S	S	*	.			trans	-63.1	143	176.4	-65.5	178.5	-179.1	177.6	0	109.5	E522 E523	K520-E522 PolarHBondContact O-N 2.79Å; K520-E523 PolarHBondContact O-N 3.36Å
521	E	40.7	Very low	54.1	Low	178 Å²	178	72.2 Å²	72.2	83%	0.832	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-56	-26.8	-164.4	-61.4	-179.5	130.9	0	0	114.4	E523 A524	E521-E523 VanDerWaalsContact C-N 3.31Å; E521-E523 PolarHBondContact O-N 2.89Å; E521-A524 WeakPolarHBondContact O-CB 3.38Å; E521-A524 PolarHBondContact O-N 3.25Å
522	E	44.2	Very low	54.1	Low	178 Å²	178	73.4 Å²	73.4	83%	0.832	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-63.9	-28.6	176.9	-58.9	179.5	131	0	0	113.9	K520 A524	K520-E522 PolarHBondContact O-N 2.79Å; E522-A524 VanDerWaalsContact C-N 3.35Å
523	E	44.3	Very low	54.3	Low	102 Å²	102	74.4 Å²	74.4	48%	0.477	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-78.2	-16.8	-178.3	-73.3	-175.3	151.5	0	0	113.4	K520 E521 S525 L526 F527	K520-E523 PolarHBondContact O-N 3.36Å; E521-E523 VanDerWaalsContact C-N 3.31Å; E521-E523 PolarHBondContact O-N 2.89Å; E523-S525 PolarHBondContact O-N 2.64Å; E523-L526 PolarHBondContact O-N 2.95Å; E523-L526 VanDerWaalsContact O-N 3.09Å; E523-F527 HydrophobicContact CB-CD2 4.19Å; E523-F527 HydrophobicContact CB-CE2 3.77Å; E523-F527 HydrophobicContact CB-CZ 4.49Å; E523-F527 HydrophobicContact CG-CE2 4.31Å; E523-F527 VanDerWaalsContact O-CD2 3.25Å; E523-F527 WeakPolarHBondContact O-CD2 3.48Å
524	A	39.2	Very low	54.4	Low	66 Å²	66	72.9 Å²	72.9	55%	0.545	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-61.3	-15.2	-167.8	0	0	0	0	0	115.6	E521 E522	E521-A524 WeakPolarHBondContact O-CB 3.38Å; E521-A524 PolarHBondContact O-N 3.25Å; E522-A524 VanDerWaalsContact C-N 3.35Å
525	S	40.8	Very low	54.8	Low	110 Å²	110	73.3 Å²	73.3	77%	0.769	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-84.3	-18.9	178.8	62.4	0	0	0	0	114.8	E523	E523-S525 PolarHBondContact O-N 2.64Å
526	L	46.3	Very low	55	Low	154 Å²	154	73.4 Å²	73.4	81%	0.806	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-11.9	-176.8	-83.4	133.9	0	0	0	113.8	E523	E523-L526 PolarHBondContact O-N 2.95Å; E523-L526 VanDerWaalsContact O-N 3.09Å
527	F	50.5	Low	55.3	Low	99 Å²	99	76 Å²	76	43%	0.434	41%	0.408	S	S	.	.			trans	-93.7	136.4	-171.6	-79.9	-120	0	0	0	111.2	E523	E523-F527 HydrophobicContact CB-CD2 4.19Å; E523-F527 HydrophobicContact CB-CE2 3.77Å; E523-F527 HydrophobicContact CB-CZ 4.49Å; E523-F527 HydrophobicContact CG-CE2 4.31Å; E523-F527 VanDerWaalsContact O-CD2 3.25Å; E523-F527 WeakPolarHBondContact O-CD2 3.48Å
528	S	55	Low	56	Low	26 Å²	26	72.6 Å²	72.6	18%	0.182	39%	0.388	C	S	.	.			trans	-110.7	111.7	167.4	48.8	0	0	0	0	109.4	I494 L530 T531 Q552	I494-S528 CarbonylContact O-C 3.47Å; I494-S528 VanDerWaalsContact O-C 3.3Å; I494-S528 VanDerWaalsContact O-CA 3.32Å; I494-S528 WeakPolarHBondContact O-CA 3.45Å; S528-L530 PolarHBondContact O-N 3.09Å; S528-L530 VanDerWaalsContact O-N 3.16Å; S528-T531 PolarHBondContact OG-OG1 2.8Å; S528-Q552 WeakPolarHBondContact O-CG 3.26Å
529	Q	60.8	Low	56.9	Low	12 Å²	12	71.1 Å²	71.1	6%	0.056	38%	0.38	C	S	.	.	S	Bend	trans	-50.8	-34.9	174.5	-167.5	68.2	65	0	0	112.7	I494 G495 F497 P516 Q552 P553 L554	I494-Q529 PolarHBondContact O-N 2.71Å; G495-Q529 WeakPolarHBondContact O-CB 3.48Å; G495-Q529 PolarHBondContact O-N 2.85Å; F497-Q529 HydrophobicContact CB-CG 3.97Å; P516-Q529 VanDerWaalsContact CA-OE1 3.27Å; Q529-Q552 VanDerWaalsContact NE2-C 3.33Å; Q529-Q552 PolarHBondContact NE2-O 3.03Å; Q529-Q552 PolarHBondContact O-N 3.05Å; Q529-P553 VanDerWaalsContact NE2-C 3.3Å; Q529-P553 PolarHBondContact NE2-O 2.86Å; Q529-L554 VanDerWaalsContact CD-CD2 3.41Å; Q529-L554 HydrophobicContact CG-CD2 3.61Å; Q529-L554 HydrophobicContact CG-CG 4.17Å
530	L	61.1	Low	58.3	Low	60 Å²	60	73.3 Å²	73.3	31%	0.314	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	125.1	174.8	-164.6	71.8	0	0	0	109.8	K493 I494 S528 L549 A551	K493-L530 CarbonylContact C-O 3.58Å; K493-L530 VanDerWaalsContact CA-O 3.3Å; K493-L530 WeakPolarHBondContact CA-O 3.24Å; I494-L530 HydrophobicContact CB-CB 4.13Å; I494-L530 HydrophobicContact CD1-CB 4.18Å; I494-L530 HydrophobicContact CD1-CD2 3.93Å; I494-L530 HydrophobicContact CG1-CB 4.32Å; I494-L530 PolarHBondContact N-O 3.38Å; I494-L530 PolarHBondContact O-N 3.12Å; S528-L530 PolarHBondContact O-N 3.09Å; S528-L530 VanDerWaalsContact O-N 3.16Å; L530-L549 HydrophobicContact CD1-CD1 3.86Å; L530-L549 HydrophobicContact CG-CD1 4.4Å; L530-A551 HydrophobicContact CD1-CB 3.62Å
531	T	64.7	Low	59.6	Low	15 Å²	15	72.3 Å²	72.3	9%	0.092	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.8	162.9	-72.6	0	0	0	0	109	S492 K493 S528 L550	S492-T531 CarbonylContact O-C 3.45Å; S492-T531 WeakPolarHBondContact O-CA 3.16Å; K493-T531 HydrophobicContact CG-CG2 4.37Å; K493-T531 WeakPolarHBondContact CG-OG1 3.29Å; S528-T531 PolarHBondContact OG-OG1 2.8Å; T531-L550 PolarHBondContact N-O 2.94Å; T531-L550 PolarHBondContact O-N 2.82Å
532	F	65.8	Low	60.8	Low	28 Å²	28	66.6 Å²	66.6	12%	0.123	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.4	175.5	175	-106.4	0	0	0	110.4	F490 E491 S492 F534 I547 L549 I1983	F490-F532 AromaticContact CD1-CD1 3.97Å; F490-F532 HydrophobicContact CD1-CD1 3.97Å; F490-F532 HydrophobicContact CD1-CE1 4.01Å; F490-F532 AromaticContact CE1-CD1 3.98Å; F490-F532 HydrophobicContact CE1-CD1 3.98Å; F490-F532 HydrophobicContact CE1-CE1 4.31Å; E491-F532 CarbonylContact C-O 3.26Å; E491-F532 WeakPolarHBondContact CA-O 3.38Å; S492-F532 PolarHBondContact N-O 2.64Å; S492-F532 PolarHBondContact O-N 2.9Å; F532-F534 HydrophobicContact CE1-CB 3.99Å; F532-F534 HydrophobicContact CZ-CB 3.99Å; F532-I547 HydrophobicContact CE2-CG2 4.08Å; F532-L549 HydrophobicContact CB-CD1 4.04Å; F532-L549 HydrophobicContact CD2-CB 4.34Å; F532-L549 HydrophobicContact CD2-CD1 3.87Å; F532-L549 HydrophobicContact CG-CD1 4.42Å; F532-I1983 HydrophobicContact CE1-CD1 4.48Å; F532-I1983 HydrophobicContact CE1-CG2 4.45Å; F532-I1983 HydrophobicContact CZ-CD1 3.89Å
533	N	68.9	Low	61.8	Low	41 Å²	41	58.3 Å²	58.3	22%	0.219	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.8	173	-40.4	-53.3	0	0	0	110.6	F490 E491 S548	F490-N533 CarbonylContact O-C 2.85Å; F490-N533 VanDerWaalsContact O-CA 3.25Å; F490-N533 WeakPolarHBondContact O-CA 3.38Å; E491-N533 VanDerWaalsContact CG-OD1 3.29Å; E491-N533 WeakPolarHBondContact CG-OD1 3Å; N533-S548 WeakPolarHBondContact CB-OG 3.35Å; N533-S548 PolarHBondContact N-O 3.39Å; N533-S548 PolarHBondContact ND2-OG 2.9Å; N533-S548 PolarHBondContact O-N 2.75Å
534	F	68.5	Low	63	Low	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	124.6	176.9	167.5	-102.4	0	0	0	109.5	K489 F490 F532 T536 R546 I547 T1980 I1983	K489-F534 CarbonylContact C-O 3.57Å; K489-F534 WeakPolarHBondContact CA-O 3.01Å; F490-F534 PolarHBondContact N-O 3.37Å; F490-F534 PolarHBondContact O-N 3.18Å; F532-F534 HydrophobicContact CE1-CB 3.99Å; F532-F534 HydrophobicContact CZ-CB 3.99Å; F534-T536 HydrophobicContact CE1-CG2 3.99Å; F534-T536 HydrophobicContact CE2-CG2 4.41Å; F534-T536 HydrophobicContact CZ-CG2 3.49Å; F534-T536 VanDerWaalsContact CZ-CG2 3.49Å; F534-R546 WeakPolarHBondContact CA-O 3.45Å; F534-R546 WeakPolarHBondContact CD2-O 3.34Å; F534-I547 HydrophobicContact CD2-CG1 3.76Å; F534-I547 HydrophobicContact CE2-CG1 4.26Å; F534-T1980 HydrophobicContact CE2-CG2 3.56Å; F534-T1980 HydrophobicContact CZ-CG2 3.4Å; F534-I1983 HydrophobicContact CB-CD1 4.14Å; F534-I1983 HydrophobicContact CB-CG2 4.15Å; F534-I1983 HydrophobicContact CD1-CB 3.74Å; F534-I1983 HydrophobicContact CD1-CD1 4.06Å; F534-I1983 HydrophobicContact CD1-CG2 3.38Å; F534-I1983 HydrophobicContact CD2-CD1 3.58Å; F534-I1983 HydrophobicContact CE1-CB 3.93Å; F534-I1983 HydrophobicContact CE1-CD1 4.48Å; F534-I1983 HydrophobicContact CE1-CG2 4.04Å; F534-I1983 HydrophobicContact CE2-CD1 4.06Å; F534-I1983 HydrophobicContact CG-CB 4.17Å; F534-I1983 HydrophobicContact CG-CD1 3.59Å; F534-I1983 HydrophobicContact CG-CG1 4.49Å; F534-I1983 HydrophobicContact CG-CG2 3.82Å; F534-I1983 HydrophobicContact CZ-CD1 4.48Å
535	E	70.9	Confident	64.2	Low	27 Å²	27	53.4 Å²	53.4	13%	0.126	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.9	-177.4	179.3	171.9	-150	0	0	112.2	R482 I488 K489 P538 Q545 R546	R482-E535 IonicContact CZ-OE1 3.83Å; R482-E535 IonicContact NH2-OE1 2.84Å; R482-E535 PolarHBondContact NH2-OE1 2.88Å; I488-E535 WeakPolarHBondContact O-CA 3.17Å; K489-E535 HydrophobicContact CB-CB 4.27Å; K489-E535 HydrophobicContact CB-CG 4.16Å; K489-E535 HydrophobicContact CG-CB 4.39Å; E535-P538 HydrophobicContact CG-CB 4.23Å; E535-P538 WeakPolarHBondContact OE2-CB 3.35Å; E535-Q545 CarbonylContact O-C 3.56Å; E535-Q545 WeakPolarHBondContact O-CA 3.2Å; E535-R546 HydrophobicContact CB-CB 4.27Å; E535-R546 PolarHBondContact N-O 3.39Å; E535-R546 PolarHBondContact O-N 3.37Å; E535-R546 IonicContact OE2-NH1 3.16Å
536	T	67.8	Low	65.4	Low	15 Å²	15	50.6 Å²	50.6	9%	0.092	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.1	166.1	58	0	0	0	0	111.4	R482 A487 I488 F534 T1980	R482-T536 PolarHBondContact NH2-O 2.91Å; A487-T536 WeakPolarHBondContact CA-OG1 3.39Å; A487-T536 VanDerWaalsContact CB-O 3.23Å; A487-T536 WeakPolarHBondContact CB-O 3.28Å; I488-T536 PolarHBondContact N-OG1 3.05Å; I488-T536 PolarHBondContact O-N 2.83Å; F534-T536 HydrophobicContact CE1-CG2 3.99Å; F534-T536 HydrophobicContact CE2-CG2 4.41Å; F534-T536 HydrophobicContact CZ-CG2 3.49Å; F534-T536 VanDerWaalsContact CZ-CG2 3.49Å; T536-T1980 HydrophobicContact CG2-CG2 4.16Å
537	N	69.3	Low	66.2	Low	72 Å²	72	43.6 Å²	43.6	39%	0.385	22%	0.224	S	C	.	.	S	Bend	trans	42.8	61.3	-175.7	-52.8	-19.1	0	0	0	112.3	R482 A485 A487 D544	R482-N537 PolarHBondContact NH1-O 3.44Å; R482-N537 PolarHBondContact NH2-O 2.55Å; A485-N537 PolarHBondContact O-ND2 3.36Å; A487-N537 HydrophobicContact CB-CB 4.17Å; N537-D544 PolarHBondContact N-O 2.85Å; N537-D544 PolarHBondContact OD1-O 3.4Å
538	P	74.5	Confident	66.8	Low	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.212	C	C	.	.			trans	-52	143.2	173.9	22.4	-34.8	0	0	0	111.9	E535 D540 H541 C543	E535-P538 HydrophobicContact CG-CB 4.23Å; E535-P538 WeakPolarHBondContact OE2-CB 3.35Å; P538-D540 PolarHBondContact O-N 3.01Å; P538-D540 VanDerWaalsContact O-N 3.16Å; P538-H541 PolarHBondContact O-N 2.88Å; P538-C543 VanDerWaalsContact CD-O 3.23Å; P538-C543 WeakPolarHBondContact CD-O 3.49Å; P538-C543 VanDerWaalsContact CG-O 3.22Å; P538-C543 WeakPolarHBondContact CG-O 3.07Å
539	L	73.3	Confident	67	Low	93 Å²	93	40.8 Å²	40.8	49%	0.487	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.2	-174.5	-67.7	171.6	0	0	0	113.8	E457 H541	E457-L539 HydrophobicContact CG-CD2 4.41Å; L539-H541 VanDerWaalsContact C-N 3.27Å; L539-H541 PolarHBondContact O-CD2 3Å; L539-H541 PolarHBondContact O-N 3.39Å
540	D	76.2	Confident	67.1	Low	90 Å²	90	42.9 Å²	42.9	48%	0.481	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-3.4	174.3	59.1	40.8	0	0	0	114.2	P538 S542 R546	P538-D540 PolarHBondContact O-N 3.01Å; P538-D540 VanDerWaalsContact O-N 3.16Å; D540-S542 PolarHBondContact O-N 2.92Å; D540-S542 WeakPolarHBondContact OD1-CB 3.17Å; D540-S542 PolarHBondContact OD1-N 2.88Å; D540-S542 PolarHBondContact OD1-OG 2.9Å; D540-R546 VanDerWaalsContact CG-NH2 3.34Å; D540-R546 IonicContact OD1-NH2 3.93Å; D540-R546 PolarHBondContact OD1-NH2 3.4Å; D540-R546 IonicContact OD2-CZ 2.72Å; D540-R546 IonicContact OD2-NH1 3.26Å; D540-R546 PolarHBondContact OD2-NH1 2.72Å; D540-R546 VanDerWaalsContact OD2-NH1 3.1Å; D540-R546 IonicContact OD2-NH2 3.35Å; D540-R546 PolarHBondContact OD2-NH2 2.9Å
541	H	68.7	Low	67.1	Low	152 Å²	152	40.7 Å²	40.7	70%	0.704	22%	0.215	S	C	*	.			trans	54.2	17.4	-178.5	-57.2	-69.3	0	0	0	115.4	P538 L539 C543	P538-H541 PolarHBondContact O-N 2.88Å; L539-H541 VanDerWaalsContact C-N 3.27Å; L539-H541 PolarHBondContact O-CD2 3Å; L539-H541 PolarHBondContact O-N 3.39Å; H541-C543 VanDerWaalsContact C-N 3.35Å; H541-C543 PolarHBondContact O-N 2.9Å
542	S	65.6	Low	67.1	Low	57 Å²	57	42.2 Å²	42.2	40%	0.399	22%	0.221	S	C	.	.	S	Bend	trans	-63.8	-38.4	-178.3	57.4	0	0	0	0	112.9	D540 R546	D540-S542 PolarHBondContact O-N 2.92Å; D540-S542 WeakPolarHBondContact OD1-CB 3.17Å; D540-S542 PolarHBondContact OD1-N 2.88Å; D540-S542 PolarHBondContact OD1-OG 2.9Å; S542-R546 PolarHBondContact OG-NH2 2.97Å
543	C	66.6	Low	66.8	Low	5 Å²	5	42.2 Å²	42.2	3%	0.034	22%	0.224	C	C	.	.			trans	-146.7	167.5	176.8	55.8	0	0	0	0	109.9	P538 H541 Q545 R609 K611	P538-C543 VanDerWaalsContact CD-O 3.23Å; P538-C543 WeakPolarHBondContact CD-O 3.49Å; P538-C543 VanDerWaalsContact CG-O 3.22Å; P538-C543 WeakPolarHBondContact CG-O 3.07Å; H541-C543 VanDerWaalsContact C-N 3.35Å; H541-C543 PolarHBondContact O-N 2.9Å; C543-Q545 VanDerWaalsContact C-N 3.33Å; C543-Q545 PolarHBondContact SG-O 3.38Å; C543-R609 HydrophobicContact CB-CB 4.31Å; C543-K611 HydrophobicContact CB-CB 4.11Å
544	D	67.6	Low	66.5	Low	51 Å²	51	41.8 Å²	41.8	27%	0.273	22%	0.221	S	C	.	.	S	Bend	trans	-82	-22	173.5	-50.2	-33.7	0	0	0	110.7	N537 K608 R609	N537-D544 PolarHBondContact N-O 2.85Å; N537-D544 PolarHBondContact OD1-O 3.4Å; D544-K608 HydrophobicContact CB-CB 4.48Å; D544-K608 WeakPolarHBondContact OD2-CA 3.48Å; D544-K608 WeakPolarHBondContact OD2-CB 3.05Å; D544-R609 WeakPolarHBondContact CB-O 3.24Å; D544-R609 PolarHBondContact N-O 3.49Å; D544-R609 PolarHBondContact OD2-N 3.36Å
545	Q	65.9	Low	66.1	Low	13 Å²	13	42 Å²	42	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	130.8	-170.4	-57.4	-173.2	-21.4	0	0	109.6	E535 C543 R609 M610 K611 T1980	E535-Q545 CarbonylContact O-C 3.56Å; E535-Q545 WeakPolarHBondContact O-CA 3.2Å; C543-Q545 VanDerWaalsContact C-N 3.33Å; C543-Q545 PolarHBondContact SG-O 3.38Å; Q545-R609 PolarHBondContact N-O 3.37Å; Q545-M610 HydrophobicContact CB-CB 4.44Å; Q545-M610 HydrophobicContact CB-CE 4.36Å; Q545-M610 HydrophobicContact CB-CG 3.89Å; Q545-M610 HydrophobicContact CB-SD 4.39Å; Q545-M610 CarbonylContact O-C 3.47Å; Q545-M610 VanDerWaalsContact O-CA 3.32Å; Q545-M610 WeakPolarHBondContact O-CA 3.36Å; Q545-M610 WeakPolarHBondContact O-CG 3.39Å; Q545-M610 VanDerWaalsContact OE1-CE 3.22Å; Q545-K611 PolarHBondContact O-N 3.25Å; Q545-T1980 HydrophobicContact CB-CG2 4.22Å; Q545-T1980 HydrophobicContact CG-CG2 3.88Å; Q545-T1980 PolarHBondContact NE2-OG1 2.86Å; Q545-T1980 VanDerWaalsContact NE2-OG1 3.07Å; Q545-T1980 VanDerWaalsContact OE1-CG2 3.24Å
546	R	65.8	Low	65.7	Low	51 Å²	51	43.8 Å²	43.8	19%	0.192	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.5	-177.3	171.5	178.7	-67.8	169.1	-6.2	109.9	F534 E535 D540 S542 K611	F534-R546 WeakPolarHBondContact CA-O 3.45Å; F534-R546 WeakPolarHBondContact CD2-O 3.34Å; E535-R546 HydrophobicContact CB-CB 4.27Å; E535-R546 PolarHBondContact N-O 3.39Å; E535-R546 PolarHBondContact O-N 3.37Å; E535-R546 IonicContact OE2-NH1 3.16Å; D540-R546 VanDerWaalsContact CG-NH2 3.34Å; D540-R546 IonicContact OD1-NH2 3.93Å; D540-R546 PolarHBondContact OD1-NH2 3.4Å; D540-R546 IonicContact OD2-CZ 2.72Å; D540-R546 IonicContact OD2-NH1 3.26Å; D540-R546 PolarHBondContact OD2-NH1 2.72Å; D540-R546 VanDerWaalsContact OD2-NH1 3.1Å; D540-R546 IonicContact OD2-NH2 3.35Å; D540-R546 PolarHBondContact OD2-NH2 2.9Å; S542-R546 PolarHBondContact OG-NH2 2.97Å; R546-K611 WeakPolarHBondContact CA-O 3.21Å
547	I	63.7	Low	65.4	Low	7 Å²	7	43.2 Å²	43.2	4%	0.036	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.4	173.6	-61.1	139.3	0	0	0	107.3	F532 F534 M610 K611 V612 D613 L614 L1979 Y2050	F532-I547 HydrophobicContact CE2-CG2 4.08Å; F534-I547 HydrophobicContact CD2-CG1 3.76Å; F534-I547 HydrophobicContact CE2-CG1 4.26Å; I547-M610 HydrophobicContact CD1-CG 4.38Å; I547-M610 HydrophobicContact CD1-SD 3.53Å; I547-M610 VanDerWaalsContact CD1-SD 3.53Å; I547-K611 PolarHBondContact N-O 3.19Å; I547-V612 HydrophobicContact CD1-CG2 4.12Å; I547-D613 PolarHBondContact O-N 3.25Å; I547-L614 HydrophobicContact CG2-CD2 4.39Å; I547-L1979 HydrophobicContact CD1-CD2 3.48Å; I547-L1979 VanDerWaalsContact CD1-CD2 3.48Å; I547-L1979 HydrophobicContact CG1-CD2 4.13Å; I547-Y2050 HydrophobicContact CD1-CD1 4.22Å; I547-Y2050 HydrophobicContact CD1-CE1 3.85Å
548	S	62.5	Low	65	Low	28 Å²	28	42 Å²	42	20%	0.196	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.5	168.3	70	0	0	0	0	111	N533 D613	N533-S548 WeakPolarHBondContact CB-OG 3.35Å; N533-S548 PolarHBondContact N-O 3.39Å; N533-S548 PolarHBondContact ND2-OG 2.9Å; N533-S548 PolarHBondContact O-N 2.75Å; S548-D613 CarbonylContact C-O 3.27Å; S548-D613 WeakPolarHBondContact CA-O 3.27Å
549	L	59.5	Low	64.7	Low	38 Å²	38	42 Å²	42	20%	0.199	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.5	176.4	177.7	69.7	0	0	0	109	L530 F532 D613 L614 E615 I616	L530-L549 HydrophobicContact CD1-CD1 3.86Å; L530-L549 HydrophobicContact CG-CD1 4.4Å; F532-L549 HydrophobicContact CB-CD1 4.04Å; F532-L549 HydrophobicContact CD2-CB 4.34Å; F532-L549 HydrophobicContact CD2-CD1 3.87Å; F532-L549 HydrophobicContact CG-CD1 4.42Å; L549-D613 PolarHBondContact N-O 2.85Å; L549-L614 HydrophobicContact CB-CD2 3.66Å; L549-L614 HydrophobicContact CD2-CD2 4.37Å; L549-E615 PolarHBondContact O-N 3.48Å; L549-I616 HydrophobicContact CD2-CD1 4.19Å; L549-I616 HydrophobicContact CD2-CG1 4.24Å
550	L	62	Low	64.2	Low	57 Å²	57	38 Å²	38	30%	0.298	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.5	168	177.6	65.5	0	0	0	108	T531 E615 L617	T531-L550 PolarHBondContact N-O 2.94Å; T531-L550 PolarHBondContact O-N 2.82Å; L550-E615 CarbonylContact C-O 3.51Å; L550-E615 WeakPolarHBondContact CA-O 3.32Å; L550-E615 HydrophobicContact CD1-CB 3.94Å; L550-E615 HydrophobicContact CD1-CG 3.72Å; L550-L617 HydrophobicContact CD1-CD1 4.43Å
551	A	60.5	Low	63.8	Low	14 Å²	14	36.3 Å²	36.3	12%	0.116	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.5	175	0	0	0	0	0	109.5	L530 E615 I616 L617	L530-A551 HydrophobicContact CD1-CB 3.62Å; A551-E615 PolarHBondContact N-O 3.42Å; A551-I616 HydrophobicContact CB-CG1 4.35Å; A551-I616 HydrophobicContact CB-CG2 4.26Å; A551-L617 WeakPolarHBondContact O-CB 3.46Å; A551-L617 WeakPolarHBondContact O-CG 3.3Å; A551-L617 PolarHBondContact O-N 2.81Å
552	Q	65.4	Low	63.5	Low	46 Å²	46	29.7 Å²	29.7	22%	0.215	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-80.6	161.3	175.3	-68.4	-71.2	-10.5	0	0	111.5	S528 Q529 L554 L617	S528-Q552 WeakPolarHBondContact O-CG 3.26Å; Q529-Q552 VanDerWaalsContact NE2-C 3.33Å; Q529-Q552 PolarHBondContact NE2-O 3.03Å; Q529-Q552 PolarHBondContact O-N 3.05Å; Q552-L554 PolarHBondContact O-N 3.02Å; Q552-L617 VanDerWaalsContact OE1-CD1 3.28Å
553	P	59.3	Low	63.2	Low	29 Å²	29	29.5 Å²	29.5	19%	0.188	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-53.1	119.1	174.1	-30.9	41.6	0	0	0	113.6	V517 Q529 L617 P618	V517-P553 HydrophobicContact CB-CB 3.8Å; V517-P553 HydrophobicContact CG2-CB 3.48Å; V517-P553 VanDerWaalsContact CG2-CB 3.48Å; V517-P553 PolarHBondContact N-O 2.87Å; V517-P553 VanDerWaalsContact N-O 3.16Å; Q529-P553 VanDerWaalsContact NE2-C 3.3Å; Q529-P553 PolarHBondContact NE2-O 2.86Å; P553-L617 HydrophobicContact CG-CB 3.92Å; P553-P618 WeakPolarHBondContact CA-O 3.46Å; P553-P618 WeakPolarHBondContact CB-O 3.46Å
554	L	63.4	Low	63	Low	31 Å²	31	31.4 Å²	31.4	16%	0.162	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.8	170.2	-83.2	176	0	0	0	110.9	F497 L514 Q529 Q552 T619 V620	F497-L554 HydrophobicContact CB-CD2 4.25Å; F497-L554 HydrophobicContact CD1-CD1 4.12Å; F497-L554 HydrophobicContact CD1-CD2 4.26Å; L514-L554 HydrophobicContact CD2-CD2 3.64Å; L514-L554 HydrophobicContact CG-CD2 4.47Å; Q529-L554 VanDerWaalsContact CD-CD2 3.41Å; Q529-L554 HydrophobicContact CG-CD2 3.61Å; Q529-L554 HydrophobicContact CG-CG 4.17Å; Q552-L554 PolarHBondContact O-N 3.02Å; L554-T619 HydrophobicContact CB-CG2 4.22Å; L554-T619 CarbonylContact O-C 3.57Å; L554-T619 WeakPolarHBondContact O-CA 3.2Å; L554-T619 WeakPolarHBondContact O-CG2 3.4Å; L554-V620 PolarHBondContact O-N 3.05Å
555	V	59.3	Low	62.8	Low	5 Å²	5	35.1 Å²	35.1	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.7	161.8	-178	0	0	0	0	108.3	L514 S515 V517 V620 R622	L514-V555 CarbonylContact C-O 3.55Å; L514-V555 VanDerWaalsContact CA-O 3.24Å; L514-V555 WeakPolarHBondContact CA-O 3.24Å; S515-V555 PolarHBondContact N-O 3.49Å; S515-V555 WeakPolarHBondContact O-CA 3Å; S515-V555 WeakPolarHBondContact O-CB 3.05Å; S515-V555 PolarHBondContact O-N 3.03Å; V517-V555 HydrophobicContact CB-CG2 4.38Å; V517-V555 HydrophobicContact CG2-CG2 3.59Å; V555-V620 CarbonylContact C-O 3.54Å; V555-V620 WeakPolarHBondContact CA-O 3.43Å; V555-V620 HydrophobicContact CG2-CB 4.5Å; V555-R622 VanDerWaalsContact CG1-CD 3.48Å; V555-R622 HydrophobicContact CG1-CG 3.9Å
556	I	61.9	Low	62.6	Low	65 Å²	65	39.8 Å²	39.8	33%	0.333	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.9	172.5	-58.9	174.6	0	0	0	107.7	I513 L514 T619 V620 L621 R622	I513-I556 CarbonylContact O-C 3.41Å; L514-I556 HydrophobicContact CD1-CG1 4.37Å; L514-I556 HydrophobicContact CG-CG1 4.38Å; I556-T619 HydrophobicContact CD1-CG2 3.89Å; I556-T619 HydrophobicContact CG1-CG2 4.3Å; I556-V620 PolarHBondContact N-O 3.06Å; I556-L621 HydrophobicContact CB-CD1 4.08Å; I556-L621 HydrophobicContact CG2-CD1 4.06Å; I556-R622 WeakPolarHBondContact O-CA 3.4Å; I556-R622 PolarHBondContact O-N 3.09Å; I556-R622 VanDerWaalsContact O-O 3.05Å
557	T	62.1	Low	62	Low	3 Å²	3	41 Å²	41	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.1	179.5	-41.3	0	0	0	0	111.4	P512 I513 H559 R622 P624 Y629	P512-T557 WeakPolarHBondContact O-CB 3.08Å; P512-T557 PolarHBondContact O-OG1 3.36Å; I513-T557 WeakPolarHBondContact CA-O 3.22Å; I513-T557 PolarHBondContact O-N 2.93Å; T557-H559 PolarHBondContact O-N 3.13Å; T557-R622 WeakPolarHBondContact CA-O 3.18Å; T557-R622 HydrophobicContact CG2-CB 4.1Å; T557-P624 HydrophobicContact CG2-CG 4.32Å; T557-Y629 HydrophobicContact CG2-CD2 3.9Å; T557-Y629 HydrophobicContact CG2-CE2 4.01Å
558	Y	61.3	Low	61.7	Low	47 Å²	47	43.8 Å²	43.8	18%	0.184	23%	0.225	C	C	.	.			trans	-76.4	107.8	174.2	178.9	-97.1	0	0	0	111.7	A560 I563 R622 P624 I726 P727	Y558-A560 HydrophobicContact CE1-CB 4.05Å; Y558-I563 HydrophobicContact CD2-CD1 3.62Å; Y558-I563 HydrophobicContact CE2-CD1 3.57Å; Y558-I563 HydrophobicContact CG-CD1 4.48Å; Y558-R622 PolarHBondContact N-O 3.35Å; Y558-R622 VanDerWaalsContact N-O 3.1Å; Y558-P624 WeakPolarHBondContact O-CD 3.38Å; Y558-P624 WeakPolarHBondContact O-CG 3.15Å; Y558-I726 HydrophobicContact CE1-CG2 4.26Å; Y558-I726 HydrophobicContact CE2-CG2 4.28Å; Y558-P727 WeakPolarHBondContact OH-CD 3.18Å; Y558-P727 PolarHBondContact OH-O 3.08Å
559	H	68.9	Low	61.4	Low	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.229	C	C	.	.			trans	-114.3	109.6	175.9	-167.5	-131.9	0	0	0	111.8	S502 V511 I513 T557 Y561 S562 I563 G627	S502-H559 PolarHBondContact O-CE1 2.72Å; V511-H559 HydrophobicContact CG1-CB 3.85Å; I513-H559 HydrophobicContact CG1-CB 4.18Å; T557-H559 PolarHBondContact O-N 3.13Å; H559-Y561 PolarHBondContact O-N 3.18Å; H559-S562 PolarHBondContact ND1-OG 2.85Å; H559-I563 WeakPolarHBondContact O-CB 3.42Å; H559-I563 WeakPolarHBondContact O-CD1 3.36Å; H559-I563 VanDerWaalsContact O-CG1 3.24Å; H559-I563 WeakPolarHBondContact O-CG1 3.34Å; H559-I563 PolarHBondContact O-N 2.92Å; H559-G627 PolarHBondContact CD2-O 3.12Å
560	A	61.9	Low	61.1	Low	8 Å²	8	46.5 Å²	46.5	7%	0.066	24%	0.239	C	C	.	.	H	α-helix	trans	-68.5	-37.7	-167.9	0	0	0	0	0	113.2	Y558 N564 G627 P727	Y558-A560 HydrophobicContact CE1-CB 4.05Å; A560-N564 WeakPolarHBondContact O-CB 3.15Å; A560-N564 PolarHBondContact O-N 2.99Å; A560-N564 PolarHBondContact O-ND2 2.88Å; A560-G627 PolarHBondContact N-O 2.8Å; A560-P727 HydrophobicContact CB-CB 4.43Å; A560-P727 HydrophobicContact CB-CG 3.8Å
561	Y	67	Low	60.6	Low	54 Å²	54	50.2 Å²	50.2	21%	0.212	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-52.2	-179.3	176.3	-107.2	0	0	0	111.9	S502 D503 E504 H559 I563 N564 R565	S502-Y561 WeakPolarHBondContact O-CD1 3.48Å; D503-Y561 VanDerWaalsContact C-CE1 3.4Å; E504-Y561 HydrophobicContact CB-CD1 4.27Å; E504-Y561 HydrophobicContact CB-CD2 3.96Å; E504-Y561 HydrophobicContact CB-CE1 3.93Å; E504-Y561 HydrophobicContact CB-CE2 3.62Å; E504-Y561 HydrophobicContact CB-CG 4.27Å; E504-Y561 HydrophobicContact CG-CE2 3.81Å; E504-Y561 WeakPolarHBondContact OE1-CE2 3.43Å; E504-Y561 PolarHBondContact OE1-OH 2.78Å; H559-Y561 PolarHBondContact O-N 3.18Å; Y561-I563 VanDerWaalsContact C-N 3.34Å; Y561-I563 PolarHBondContact O-N 3.21Å; Y561-N564 PolarHBondContact O-N 3.37Å; Y561-R565 HydrophobicContact CD1-CG 4.41Å; Y561-R565 HydrophobicContact CD2-CG 4.19Å; Y561-R565 HydrophobicContact CE1-CG 4.04Å; Y561-R565 HydrophobicContact CE2-CG 3.76Å; Y561-R565 HydrophobicContact CG-CG 4.5Å; Y561-R565 WeakPolarHBondContact O-CB 3.31Å; Y561-R565 WeakPolarHBondContact O-CG 2.95Å; Y561-R565 PolarHBondContact O-N 2.71Å; Y561-R565 VanDerWaalsContact OH-CZ 3.28Å; Y561-R565 PolarHBondContact OH-NE 2.9Å; Y561-R565 PolarHBondContact OH-NH2 3.3Å; Y561-R565 VanDerWaalsContact OH-NH2 3.16Å
562	S	63.2	Low	60.1	Low	14 Å²	14	52.5 Å²	52.5	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-63.5	-39.1	179.9	-41.9	0	0	0	0	112.2	G501 S502 H559 R565 L566	G501-S562 WeakPolarHBondContact CA-OG 3.42Å; S502-S562 PolarHBondContact O-OG 3.46Å; H559-S562 PolarHBondContact ND1-OG 2.85Å; S562-R565 PolarHBondContact O-N 2.91Å; S562-L566 WeakPolarHBondContact O-CB 3.44Å; S562-L566 PolarHBondContact O-N 3.17Å
563	I	60.3	Low	59.8	Low	53 Å²	53	51.2 Å²	51.2	27%	0.272	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-44.9	177.1	-69.5	168.4	0	0	0	110.9	Y558 H559 Y561 L566 I567	Y558-I563 HydrophobicContact CD2-CD1 3.62Å; Y558-I563 HydrophobicContact CE2-CD1 3.57Å; Y558-I563 HydrophobicContact CG-CD1 4.48Å; H559-I563 WeakPolarHBondContact O-CB 3.42Å; H559-I563 WeakPolarHBondContact O-CD1 3.36Å; H559-I563 VanDerWaalsContact O-CG1 3.24Å; H559-I563 WeakPolarHBondContact O-CG1 3.34Å; H559-I563 PolarHBondContact O-N 2.92Å; Y561-I563 VanDerWaalsContact C-N 3.34Å; Y561-I563 PolarHBondContact O-N 3.21Å; I563-L566 WeakPolarHBondContact O-CB 3.41Å; I563-L566 PolarHBondContact O-N 3.31Å; I563-I567 HydrophobicContact CG2-CD1 4.12Å; I563-I567 WeakPolarHBondContact O-CG1 3.29Å; I563-I567 PolarHBondContact O-N 3.43Å; I563-I567 VanDerWaalsContact O-N 3.12Å
564	N	62.1	Low	59.4	Low	44 Å²	44	59.2 Å²	59.2	24%	0.235	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-38	178	-76.8	-49.7	0	0	0	112.6	A560 Y561 I567 C568	A560-N564 WeakPolarHBondContact O-CB 3.15Å; A560-N564 PolarHBondContact O-N 2.99Å; A560-N564 PolarHBondContact O-ND2 2.88Å; Y561-N564 PolarHBondContact O-N 3.37Å; N564-I567 PolarHBondContact O-N 3.46Å; N564-C568 PolarHBondContact O-N 3.06Å; N564-C568 VanDerWaalsContact O-N 3.1Å; N564-C568 PolarHBondContact O-SG 3.43Å
565	R	63.6	Low	58.7	Low	130 Å²	130	60.9 Å²	60.9	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-61.7	-42.1	172.4	-72.9	-74.6	-177.2	171.8	-1.3	111.6	E504 Y561 S562 I567 C568 V569	E504-R565 IonicContact OE1-CZ 3.9Å; E504-R565 IonicContact OE1-NH2 3.55Å; E504-R565 PolarHBondContact OE1-NH2 3.49Å; Y561-R565 HydrophobicContact CD1-CG 4.41Å; Y561-R565 HydrophobicContact CD2-CG 4.19Å; Y561-R565 HydrophobicContact CE1-CG 4.04Å; Y561-R565 HydrophobicContact CE2-CG 3.76Å; Y561-R565 HydrophobicContact CG-CG 4.5Å; Y561-R565 WeakPolarHBondContact O-CB 3.31Å; Y561-R565 WeakPolarHBondContact O-CG 2.95Å; Y561-R565 PolarHBondContact O-N 2.71Å; Y561-R565 VanDerWaalsContact OH-CZ 3.28Å; Y561-R565 PolarHBondContact OH-NE 2.9Å; Y561-R565 PolarHBondContact OH-NH2 3.3Å; Y561-R565 VanDerWaalsContact OH-NH2 3.16Å; S562-R565 PolarHBondContact O-N 2.91Å; R565-I567 PolarHBondContact O-N 3.44Å; R565-C568 WeakPolarHBondContact O-CB 3.29Å; R565-C568 PolarHBondContact O-N 3.22Å; R565-C568 VanDerWaalsContact O-N 3.14Å; R565-V569 PolarHBondContact O-N 3.26Å; R565-V569 VanDerWaalsContact O-N 3.12Å
566	L	60.3	Low	58.4	Low	110 Å²	110	61.8 Å²	61.8	58%	0.576	31%	0.313	S	S	*	.	H	α-helix	trans	-59.5	-45.1	175.8	-171.5	73	0	0	0	112.1	S562 I563 C568 V569 L570	S562-L566 WeakPolarHBondContact O-CB 3.44Å; S562-L566 PolarHBondContact O-N 3.17Å; I563-L566 WeakPolarHBondContact O-CB 3.41Å; I563-L566 PolarHBondContact O-N 3.31Å; L566-C568 VanDerWaalsContact C-N 3.28Å; L566-C568 PolarHBondContact O-N 3.13Å; L566-V569 PolarHBondContact O-N 3.37Å; L566-L570 HydrophobicContact CD1-CD1 4.39Å; L566-L570 HydrophobicContact CG-CD1 4.16Å; L566-L570 WeakPolarHBondContact O-CG 3.37Å; L566-L570 PolarHBondContact O-N 3.29Å
567	I	53.2	Low	57.7	Low	77 Å²	77	66.7 Å²	66.7	40%	0.395	33%	0.327	S	S	.	.	H	α-helix	trans	-60.9	-36.3	175.4	-69.8	159.8	0	0	0	111.7	I563 N564 R565	I563-I567 HydrophobicContact CG2-CD1 4.12Å; I563-I567 WeakPolarHBondContact O-CG1 3.29Å; I563-I567 PolarHBondContact O-N 3.43Å; I563-I567 VanDerWaalsContact O-N 3.12Å; N564-I567 PolarHBondContact O-N 3.46Å; R565-I567 PolarHBondContact O-N 3.44Å
568	C	58	Low	57	Low	65 Å²	65	67.6 Å²	67.6	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-72.7	-29	179	-76.3	0	0	0	0	114.3	N564 R565 L566	N564-C568 PolarHBondContact O-N 3.06Å; N564-C568 VanDerWaalsContact O-N 3.1Å; N564-C568 PolarHBondContact O-SG 3.43Å; R565-C568 WeakPolarHBondContact O-CB 3.29Å; R565-C568 PolarHBondContact O-N 3.22Å; R565-C568 VanDerWaalsContact O-N 3.14Å; L566-C568 VanDerWaalsContact C-N 3.28Å; L566-C568 PolarHBondContact O-N 3.13Å
569	V	56.8	Low	56	Low	45 Å²	45	66.4 Å²	66.4	27%	0.273	33%	0.327	S	S	.	.	H	α-helix	trans	-74.2	-43	174.3	172.6	0	0	0	0	111	Y269 R565 L566 R571	Y269-V569 WeakPolarHBondContact CD1-O 3.44Å; R565-V569 PolarHBondContact O-N 3.26Å; R565-V569 VanDerWaalsContact O-N 3.12Å; L566-V569 PolarHBondContact O-N 3.37Å; V569-R571 PolarHBondContact O-N 3.14Å; V569-R571 VanDerWaalsContact O-N 3.15Å
570	L	52.4	Low	54.7	Low	78 Å²	78	72.3 Å²	72.3	41%	0.408	36%	0.355	S	S	.	.	S	Bend	trans	-80.1	13.4	-175.1	-63.6	174.1	0	0	0	114.7	Y269 L566 P572	Y269-L570 HydrophobicContact CD2-CD2 4.31Å; Y269-L570 WeakPolarHBondContact CE1-O 3.23Å; Y269-L570 HydrophobicContact CE2-CD2 4.07Å; Y269-L570 PolarHBondContact OH-O 3.39Å; L566-L570 HydrophobicContact CD1-CD1 4.39Å; L566-L570 HydrophobicContact CG-CD1 4.16Å; L566-L570 WeakPolarHBondContact O-CG 3.37Å; L566-L570 PolarHBondContact O-N 3.29Å; L570-P572 WeakPolarHBondContact O-CD 3.23Å
571	R	52.2	Low	53.5	Low	136 Å²	136	73.7 Å²	73.7	51%	0.513	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-82.7	117.4	-179.1	-175.3	177.4	-70.8	-174.8	-1	111.7	Q270 V569	Q270-R571 PolarHBondContact NE2-O 2.91Å; Q270-R571 VanDerWaalsContact NE2-O 3.12Å; V569-R571 PolarHBondContact O-N 3.14Å; V569-R571 VanDerWaalsContact O-N 3.15Å
572	P	49.5	Very low	52.1	Low	62 Å²	62	72 Å²	72	40%	0.403	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-66.3	155.7	178.7	29.8	-36.4	0	0	0	112.1	L273 L570	L273-P572 HydrophobicContact CD1-CB 3.71Å; L570-P572 WeakPolarHBondContact O-CD 3.23Å
573	P	58.2	Low	50.8	Low	18 Å²	18	72.9 Å²	72.9	12%	0.117	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-82.8	152	177	35.4	-32.4	0	0	0	111.4	Q270 E274 S575 V576	Q270-P573 HydrophobicContact CB-CB 4.34Å; Q270-P573 HydrophobicContact CB-CG 4.11Å; Q270-P573 HydrophobicContact CG-CB 4.21Å; Q270-P573 HydrophobicContact CG-CG 4.23Å; E274-P573 HydrophobicContact CG-CG 4.08Å; P573-S575 WeakPolarHBondContact CB-OG 3.4Å; P573-S575 WeakPolarHBondContact CG-OG 3.33Å; P573-S575 PolarHBondContact O-N 3.48Å; P573-S575 VanDerWaalsContact O-N 3.13Å; P573-V576 HydrophobicContact CG-CB 4.22Å; P573-V576 HydrophobicContact CG-CG2 3.77Å; P573-V576 PolarHBondContact O-N 3.09Å
574	E	50.6	Low	49.5	Very low	197 Å²	197	72.2 Å²	72.2	92%	0.921	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-16.8	-177.4	-60.4	-170.4	172.5	0	0	114.2
575	S	49.2	Very low	48.1	Very low	66 Å²	66	70.9 Å²	70.9	46%	0.462	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-33.3	175.3	44	0	0	0	0	113.3	E274 P573	E274-S575 WeakPolarHBondContact OE1-CB 3.41Å; E274-S575 PolarHBondContact OE1-OG 3.13Å; P573-S575 WeakPolarHBondContact CB-OG 3.4Å; P573-S575 WeakPolarHBondContact CG-OG 3.33Å; P573-S575 PolarHBondContact O-N 3.48Å; P573-S575 VanDerWaalsContact O-N 3.13Å
576	V	53.2	Low	46.7	Very low	24 Å²	24	66 Å²	66	15%	0.145	34%	0.341	C	S	.	.			trans	-98.1	135.1	-165.7	174.6	0	0	0	0	112.2	L273 E274 E277 P573 L578	L273-V576 HydrophobicContact CB-CG1 4.24Å; L273-V576 HydrophobicContact CB-CG2 4.2Å; E274-V576 HydrophobicContact CB-CG2 4.24Å; E274-V576 HydrophobicContact CG-CG2 3.53Å; E277-V576 HydrophobicContact CB-CG1 4.26Å; E277-V576 HydrophobicContact CB-CG2 4.31Å; P573-V576 HydrophobicContact CG-CB 4.22Å; P573-V576 HydrophobicContact CG-CG2 3.77Å; P573-V576 PolarHBondContact O-N 3.09Å; V576-L578 HydrophobicContact CG1-CB 4.13Å; V576-L578 HydrophobicContact CG1-CD1 3.51Å; V576-L578 HydrophobicContact CG1-CG 3.54Å
577	R	47.1	Very low	45.6	Very low	168 Å²	168	66.2 Å²	66.2	63%	0.634	34%	0.342	S	S	*	.			trans	-131	40.1	-175.7	-53	-169.1	-158.1	-171.6	8.9	113.1	E277 K579 G1833	E277-R577 PolarHBondContact OE2-N 3.36Å; R577-K579 PolarHBondContact O-N 2.66Å; R577-G1833 PolarHBondContact NH1-O 3.04Å
578	L	47.2	Very low	44.7	Very low	23 Å²	23	65.9 Å²	65.9	12%	0.12	34%	0.338	C	S	.	.			trans	-60.7	59.5	179.4	-72.4	167.1	0	0	0	115.4	L273 L276 V576 Q580 L581	L273-L578 HydrophobicContact CD2-CD1 3.91Å; L276-L578 HydrophobicContact CB-CD1 4.19Å; L276-L578 HydrophobicContact CB-CD2 4.46Å; V576-L578 HydrophobicContact CG1-CB 4.13Å; V576-L578 HydrophobicContact CG1-CD1 3.51Å; V576-L578 HydrophobicContact CG1-CG 3.54Å; L578-Q580 VanDerWaalsContact C-N 3.32Å; L578-Q580 PolarHBondContact O-N 2.8Å; L578-L581 HydrophobicContact CB-CD1 4.04Å; L578-L581 HydrophobicContact CB-CG 4.45Å; L578-L581 HydrophobicContact CD1-CD1 4.05Å; L578-L581 HydrophobicContact CG-CD1 4.45Å; L578-L581 PolarHBondContact O-N 3.31Å
579	K	41	Very low	43.8	Very low	21 Å²	21	67.2 Å²	67.2	9%	0.091	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.3	176.5	-115.2	177	168	-164.2	0	113.5	R577 L581 T582 D583 T1837 V1888	R577-K579 PolarHBondContact O-N 2.66Å; K579-L581 PolarHBondContact O-N 3.27Å; K579-L581 VanDerWaalsContact O-N 3.14Å; K579-T582 PolarHBondContact O-N 3.23Å; K579-T582 VanDerWaalsContact O-N 3.11Å; K579-T582 PolarHBondContact O-OG1 2.81Å; K579-T582 VanDerWaalsContact O-OG1 3.14Å; K579-D583 PolarHBondContact O-N 3.31Å; K579-D583 VanDerWaalsContact O-N 3.09Å; K579-T1837 HydrophobicContact CB-CG2 4.28Å; K579-T1837 HydrophobicContact CD-CG2 4.39Å; K579-T1837 VanDerWaalsContact CD-O 3.24Å; K579-T1837 WeakPolarHBondContact CD-O 3.25Å; K579-T1837 WeakPolarHBondContact CD-OG1 3.29Å; K579-T1837 WeakPolarHBondContact CE-O 3.18Å; K579-T1837 PolarHBondContact NZ-O 2.96Å; K579-T1837 PolarHBondContact NZ-OG1 3.28Å; K579-V1888 HydrophobicContact CD-CG2 3.87Å; K579-V1888 VanDerWaalsContact CE-CG2 3.4Å; K579-V1888 HydrophobicContact CG-CB 4.23Å; K579-V1888 HydrophobicContact CG-CG1 3.84Å; K579-V1888 HydrophobicContact CG-CG2 3.32Å
580	Q	41.1	Very low	42.8	Very low	125 Å²	125	68.9 Å²	68.9	58%	0.584	34%	0.339	S	S	*	.	H	α-helix	trans	-54.9	-33.5	174.2	-61.4	-147.2	30.4	0	0	112.8	E280 L578 T582 A584	E280-Q580 PolarHBondContact OE1-NE2 3.2Å; E280-Q580 PolarHBondContact OE2-NE2 2.84Å; L578-Q580 VanDerWaalsContact C-N 3.32Å; L578-Q580 PolarHBondContact O-N 2.8Å; Q580-T582 VanDerWaalsContact C-N 3.28Å; Q580-T582 PolarHBondContact O-N 2.69Å; Q580-A584 WeakPolarHBondContact O-CB 3.48Å; Q580-A584 PolarHBondContact O-N 3.45Å
581	L	36.8	Very low	42.2	Very low	38 Å²	38	67.1 Å²	67.1	20%	0.199	33%	0.33	C	S	.	.	H	α-helix	trans	-66.3	-30.3	-178	-78.1	179.2	0	0	0	113.1	L578 K579 T1950 K1953	L578-L581 HydrophobicContact CB-CD1 4.04Å; L578-L581 HydrophobicContact CB-CG 4.45Å; L578-L581 HydrophobicContact CD1-CD1 4.05Å; L578-L581 HydrophobicContact CG-CD1 4.45Å; L578-L581 PolarHBondContact O-N 3.31Å; K579-L581 PolarHBondContact O-N 3.27Å; K579-L581 VanDerWaalsContact O-N 3.14Å; L581-T1950 HydrophobicContact CB-CG2 3.72Å; L581-T1950 HydrophobicContact CD2-CG2 4.14Å; L581-T1950 HydrophobicContact CG-CG2 4.35Å; L581-T1950 WeakPolarHBondContact O-CG2 3.36Å; L581-K1953 HydrophobicContact CD2-CB 4.37Å; L581-K1953 HydrophobicContact CD2-CD 4.1Å; L581-K1953 PolarHBondContact O-NZ 2.85Å
582	T	38.3	Very low	41.5	Very low	17 Å²	17	62.8 Å²	62.8	10%	0.104	32%	0.316	C	S	.	.	H	α-helix	trans	-109.5	-34.5	-164.1	31.1	0	0	0	0	113.2	K579 Q580 A584 A585 M586 D1887 V1888	K579-T582 PolarHBondContact O-N 3.23Å; K579-T582 VanDerWaalsContact O-N 3.11Å; K579-T582 PolarHBondContact O-OG1 2.81Å; K579-T582 VanDerWaalsContact O-OG1 3.14Å; Q580-T582 VanDerWaalsContact C-N 3.28Å; Q580-T582 PolarHBondContact O-N 2.69Å; T582-A584 PolarHBondContact O-N 3.13Å; T582-A585 WeakPolarHBondContact O-CA 3.3Å; T582-A585 WeakPolarHBondContact O-CB 3.34Å; T582-A585 PolarHBondContact O-N 3.14Å; T582-M586 PolarHBondContact O-N 3.15Å; T582-D1887 WeakPolarHBondContact CB-O 3.29Å; T582-D1887 VanDerWaalsContact CG2-O 3.25Å; T582-D1887 WeakPolarHBondContact CG2-O 3.37Å; T582-V1888 WeakPolarHBondContact OG1-CA 3.45Å
583	D	35.6	Very low	40.8	Very low	33 Å²	33	66.4 Å²	66.4	18%	0.176	33%	0.326	C	S	.	.	H	α-helix	trans	-51.6	-48.3	158.7	-66.8	14.7	0	0	0	109.3	K579 A585 M586 L587 T1839	K579-D583 PolarHBondContact O-N 3.31Å; K579-D583 VanDerWaalsContact O-N 3.09Å; D583-A585 PolarHBondContact O-N 3.04Å; D583-A585 VanDerWaalsContact O-N 3.1Å; D583-M586 PolarHBondContact O-N 2.71Å; D583-L587 VanDerWaalsContact O-CB 3.31Å; D583-L587 WeakPolarHBondContact O-CB 3.47Å; D583-L587 WeakPolarHBondContact O-CG 3.46Å; D583-L587 PolarHBondContact O-N 3.03Å; D583-T1839 VanDerWaalsContact CG-OG1 3.26Å; D583-T1839 WeakPolarHBondContact OD2-CB 2.95Å; D583-T1839 WeakPolarHBondContact OD2-CG2 3.17Å; D583-T1839 PolarHBondContact OD2-OG1 2.93Å
584	A	33.2	Very low	39.7	Very low	40 Å²	40	68.2 Å²	68.2	33%	0.331	34%	0.339	S	S	.	.	H	α-helix	trans	-76.9	15.7	174.8	0	0	0	0	0	114.5	Q580 T582 K1953	Q580-A584 WeakPolarHBondContact O-CB 3.48Å; Q580-A584 PolarHBondContact O-N 3.45Å; T582-A584 PolarHBondContact O-N 3.13Å; A584-K1953 PolarHBondContact O-NZ 2.74Å
585	A	33	Very low	39	Very low	15 Å²	15	60.5 Å²	60.5	12%	0.124	30%	0.302	C	S	.	.	H	α-helix	trans	-115.6	-41.1	168.5	0	0	0	0	0	111.3	T582 D583 K588 Y589 R1946	T582-A585 WeakPolarHBondContact O-CA 3.3Å; T582-A585 WeakPolarHBondContact O-CB 3.34Å; T582-A585 PolarHBondContact O-N 3.14Å; D583-A585 PolarHBondContact O-N 3.04Å; D583-A585 VanDerWaalsContact O-N 3.1Å; A585-K588 VanDerWaalsContact O-CB 3.31Å; A585-K588 WeakPolarHBondContact O-CB 3.19Å; A585-K588 PolarHBondContact O-N 3.36Å; A585-Y589 PolarHBondContact O-N 2.91Å; A585-R1946 HydrophobicContact CB-CG 4.43Å
586	M	33.2	Very low	38.6	Very low	29 Å²	29	58 Å²	58	14%	0.143	28%	0.284	C	S	.	.	H	α-helix	trans	-71.6	-38.5	171.2	-81.2	-50.3	-156.2	0	0	113	T582 D583 K588 Y589 E590 D1887 N1891	T582-M586 PolarHBondContact O-N 3.15Å; D583-M586 PolarHBondContact O-N 2.71Å; M586-K588 PolarHBondContact O-N 3.05Å; M586-Y589 WeakPolarHBondContact O-CB 3.5Å; M586-Y589 PolarHBondContact O-N 3.49Å; M586-Y589 HydrophobicContact SD-CD1 3.84Å; M586-Y589 HydrophobicContact SD-CG 4.23Å; M586-E590 PolarHBondContact O-N 2.9Å; M586-D1887 WeakPolarHBondContact CE-OD1 3.26Å; M586-D1887 HydrophobicContact CG-CB 3.75Å; M586-D1887 VanDerWaalsContact CG-OD1 3.32Å; M586-D1887 WeakPolarHBondContact CG-OD1 3.44Å; M586-D1887 WeakPolarHBondContact CG-OD2 3.46Å; M586-N1891 HydrophobicContact CE-CB 4.02Å
587	L	38.2	Very low	37.8	Very low	114 Å²	114	59 Å²	59	60%	0.597	29%	0.293	S	S	*	.	H	α-helix	trans	-52.1	-32.9	168.3	-83.9	166.6	0	0	0	111.5	D583 D591	D583-L587 VanDerWaalsContact O-CB 3.31Å; D583-L587 WeakPolarHBondContact O-CB 3.47Å; D583-L587 WeakPolarHBondContact O-CG 3.46Å; D583-L587 PolarHBondContact O-N 3.03Å; L587-D591 VanDerWaalsContact O-CB 3.3Å; L587-D591 WeakPolarHBondContact O-CB 3.47Å; L587-D591 PolarHBondContact O-N 3.32Å
588	K	33.6	Very low	37.6	Very low	70 Å²	70	54.6 Å²	54.6	30%	0.304	28%	0.284	S	S	.	.	H	α-helix	trans	-77.1	-38.4	177.1	-145.1	-174.5	179.9	-142.8	0	112.2	A585 M586 I592 E2045	A585-K588 VanDerWaalsContact O-CB 3.31Å; A585-K588 WeakPolarHBondContact O-CB 3.19Å; A585-K588 PolarHBondContact O-N 3.36Å; M586-K588 PolarHBondContact O-N 3.05Å; K588-I592 WeakPolarHBondContact O-CD1 3.23Å; K588-I592 VanDerWaalsContact O-CG1 3.25Å; K588-I592 WeakPolarHBondContact O-CG1 3.37Å; K588-I592 PolarHBondContact O-N 3.3Å; K588-E2045 WeakPolarHBondContact CD-OE1 3.27Å; K588-E2045 WeakPolarHBondContact CE-OE1 3.28Å; K588-E2045 IonicContact NZ-OE1 2.64Å; K588-E2045 PolarHBondContact NZ-OE1 3.34Å; K588-E2045 IonicContact NZ-OE2 3.92Å; K588-E2045 PolarHBondContact NZ-OE2 2.88Å
589	Y	40	Very low	37.2	Very low	92 Å²	92	53.7 Å²	53.7	36%	0.361	28%	0.281	S	S	.	.	H	α-helix	trans	-64.8	-44.8	176.9	-177	-116.4	0	0	0	112.5	A585 M586 I592 K593	A585-Y589 PolarHBondContact O-N 2.91Å; M586-Y589 WeakPolarHBondContact O-CB 3.5Å; M586-Y589 PolarHBondContact O-N 3.49Å; M586-Y589 HydrophobicContact SD-CD1 3.84Å; M586-Y589 HydrophobicContact SD-CG 4.23Å; Y589-I592 PolarHBondContact O-N 2.74Å; Y589-K593 PolarHBondContact O-N 2.81Å
590	E	34.6	Very low	37.4	Very low	80 Å²	80	54.1 Å²	54.1	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-69.4	-37.6	176.1	-65.4	-139.5	93.1	0	0	112.7	M586 I592 K593 S594 Q1842	M586-E590 PolarHBondContact O-N 2.9Å; E590-I592 PolarHBondContact O-N 3.37Å; E590-K593 PolarHBondContact O-N 3.33Å; E590-S594 WeakPolarHBondContact O-CB 3.41Å; E590-S594 PolarHBondContact O-N 3.14Å; E590-S594 PolarHBondContact O-OG 3.21Å; E590-Q1842 PolarHBondContact OE2-NE2 3Å; E590-Q1842 PolarHBondContact OE2-OE1 2.79Å
591	D	41.2	Very low	37.2	Very low	42 Å²	42	50.6 Å²	50.6	23%	0.225	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-21.9	172	-119.8	-0.9	0	0	0	112.9	L587 K595 R1975	L587-D591 VanDerWaalsContact O-CB 3.3Å; L587-D591 WeakPolarHBondContact O-CB 3.47Å; L587-D591 PolarHBondContact O-N 3.32Å; D591-K595 VanDerWaalsContact CB-NZ 3.27Å; D591-K595 VanDerWaalsContact O-CB 3.29Å; D591-K595 WeakPolarHBondContact O-CB 3.38Å; D591-K595 VanDerWaalsContact O-CD 3.24Å; D591-K595 WeakPolarHBondContact O-CD 3.49Å; D591-K595 WeakPolarHBondContact O-CE 3.33Å; D591-K595 WeakPolarHBondContact O-CG 3.33Å; D591-K595 PolarHBondContact O-NZ 3.04Å; D591-K595 WeakPolarHBondContact OD1-CE 3.2Å; D591-K595 IonicContact OD1-NZ 2.67Å; D591-K595 PolarHBondContact OD1-NZ 3.12Å; D591-K595 WeakPolarHBondContact OD2-CE 3.38Å; D591-K595 IonicContact OD2-NZ 2.61Å; D591-K595 PolarHBondContact OD2-NZ 3.42Å; D591-R1975 IonicContact OD1-CZ 2.67Å; D591-R1975 IonicContact OD1-NE 2.67Å; D591-R1975 IonicContact OD1-NH1 2.82Å; D591-R1975 IonicContact OD1-NH2 3.69Å; D591-R1975 PolarHBondContact OD1-NH2 3.07Å; D591-R1975 IonicContact OD2-CZ 2.66Å; D591-R1975 IonicContact OD2-NE 2.8Å; D591-R1975 PolarHBondContact OD2-NE 2.71Å; D591-R1975 VanDerWaalsContact OD2-NE 3.14Å; D591-R1975 IonicContact OD2-NH2 3.83Å; D591-R1975 PolarHBondContact OD2-NH2 2.9Å
592	I	37.1	Very low	37.4	Very low	44 Å²	44	53.1 Å²	53.1	23%	0.226	28%	0.278	C	S	.	.	H	α-helix	trans	-81.5	-51	171.7	-72.4	164.1	0	0	0	109.5	K588 Y589 E590 S594 K595 S596 E2045 K2049	K588-I592 WeakPolarHBondContact O-CD1 3.23Å; K588-I592 VanDerWaalsContact O-CG1 3.25Å; K588-I592 WeakPolarHBondContact O-CG1 3.37Å; K588-I592 PolarHBondContact O-N 3.3Å; Y589-I592 PolarHBondContact O-N 2.74Å; E590-I592 PolarHBondContact O-N 3.37Å; I592-S594 VanDerWaalsContact C-N 3.34Å; I592-S594 PolarHBondContact O-N 3.31Å; I592-K595 PolarHBondContact O-N 3.05Å; I592-S596 PolarHBondContact O-N 2.94Å; I592-S596 PolarHBondContact O-OG 3.44Å; I592-E2045 HydrophobicContact CD1-CB 4.39Å; I592-E2045 HydrophobicContact CD1-CG 3.91Å; I592-K2049 HydrophobicContact CG2-CG 4.37Å
593	K	35.1	Very low	37.4	Very low	139 Å²	139	53.6 Å²	53.6	60%	0.604	28%	0.284	S	S	*	.	H	α-helix	trans	-52.9	-48.9	-179.9	-175.5	-179.2	177.3	-173.7	0	112.1	Y589 E590	Y589-K593 PolarHBondContact O-N 2.81Å; E590-K593 PolarHBondContact O-N 3.33Å
594	S	34.9	Very low	37.8	Very low	55 Å²	55	54.6 Å²	54.6	39%	0.385	29%	0.289	S	S	.	.	H	α-helix	trans	-64.7	-51.2	176.9	53.2	0	0	0	0	112.6	E590 I592 S596 S597 T598	E590-S594 WeakPolarHBondContact O-CB 3.41Å; E590-S594 PolarHBondContact O-N 3.14Å; E590-S594 PolarHBondContact O-OG 3.21Å; I592-S594 VanDerWaalsContact C-N 3.34Å; I592-S594 PolarHBondContact O-N 3.31Å; S594-S596 PolarHBondContact O-N 2.96Å; S594-S597 PolarHBondContact O-N 2.77Å; S594-S597 VanDerWaalsContact O-N 3.11Å; S594-S597 PolarHBondContact O-OG 3.17Å; S594-T598 PolarHBondContact O-N 2.7Å; S594-T598 VanDerWaalsContact O-N 3.1Å; S594-T598 PolarHBondContact O-OG1 3.38Å; S594-T598 VanDerWaalsContact O-OG1 3.04Å
595	K	35.9	Very low	38.1	Very low	35 Å²	35	60.4 Å²	60.4	15%	0.152	31%	0.306	C	S	.	.	H	α-helix	trans	-74.7	-8.2	-178.1	-62.6	176.1	-134.5	144.8	0	114.5	D591 I592 G599 R1975 K2049	D591-K595 VanDerWaalsContact CB-NZ 3.27Å; D591-K595 VanDerWaalsContact O-CB 3.29Å; D591-K595 WeakPolarHBondContact O-CB 3.38Å; D591-K595 VanDerWaalsContact O-CD 3.24Å; D591-K595 WeakPolarHBondContact O-CD 3.49Å; D591-K595 WeakPolarHBondContact O-CE 3.33Å; D591-K595 WeakPolarHBondContact O-CG 3.33Å; D591-K595 PolarHBondContact O-NZ 3.04Å; D591-K595 WeakPolarHBondContact OD1-CE 3.2Å; D591-K595 IonicContact OD1-NZ 2.67Å; D591-K595 PolarHBondContact OD1-NZ 3.12Å; D591-K595 WeakPolarHBondContact OD2-CE 3.38Å; D591-K595 IonicContact OD2-NZ 2.61Å; D591-K595 PolarHBondContact OD2-NZ 3.42Å; I592-K595 PolarHBondContact O-N 3.05Å; K595-G599 WeakPolarHBondContact O-CA 3.37Å; K595-G599 PolarHBondContact O-N 3.06Å; K595-R1975 HydrophobicContact CD-CB 3.96Å; K595-R1975 HydrophobicContact CD-CG 4.36Å; K595-K2049 PolarHBondContact O-NZ 3.27Å
596	S	40.3	Very low	38.7	Very low	13 Å²	13	66.9 Å²	66.9	9%	0.091	33%	0.328	C	S	.	.	H	α-helix	trans	-70.4	-42.6	165.3	-66.4	0	0	0	0	111	I592 S594 L600 K2049	I592-S596 PolarHBondContact O-N 2.94Å; I592-S596 PolarHBondContact O-OG 3.44Å; S594-S596 PolarHBondContact O-N 2.96Å; S596-L600 PolarHBondContact O-N 3.27Å; S596-K2049 VanDerWaalsContact CA-CE 3.47Å; S596-K2049 WeakPolarHBondContact OG-CE 3.39Å; S596-K2049 WeakPolarHBondContact OG-CG 3.32Å
597	S	36.8	Very low	39.2	Very low	47 Å²	47	76.3 Å²	76.3	33%	0.329	36%	0.362	S	S	.	.	H	α-helix	trans	-64.6	-55.2	171.6	87.7	0	0	0	0	109.3	S594 G599 L600 Q601 H2057	S594-S597 PolarHBondContact O-N 2.77Å; S594-S597 VanDerWaalsContact O-N 3.11Å; S594-S597 PolarHBondContact O-OG 3.17Å; S597-G599 PolarHBondContact O-N 3.38Å; S597-L600 PolarHBondContact O-N 3.05Å; S597-Q601 WeakPolarHBondContact O-CG 3.33Å; S597-Q601 PolarHBondContact O-N 3.09Å; S597-H2057 WeakPolarHBondContact CB-NE2 3.46Å; S597-H2057 PolarHBondContact O-CD2 3.26Å; S597-H2057 PolarHBondContact OG-NE2 3.29Å
598	T	42	Very low	39.9	Very low	74 Å²	74	75.7 Å²	75.7	45%	0.454	36%	0.355	S	S	.	.	H	α-helix	trans	-62.8	-37.9	-173.2	-29.4	0	0	0	0	113.7	S594 Q601 H602	S594-T598 PolarHBondContact O-N 2.7Å; S594-T598 VanDerWaalsContact O-N 3.1Å; S594-T598 PolarHBondContact O-OG1 3.38Å; S594-T598 VanDerWaalsContact O-OG1 3.04Å; T598-Q601 PolarHBondContact O-N 3.29Å; T598-H602 PolarHBondContact O-N 2.8Å; T598-H602 VanDerWaalsContact O-N 3.08Å
599	G	38.5	Very low	40.7	Very low	5 Å²	5	79.2 Å²	79.2	5%	0.052	37%	0.366	C	S	.	.	H	α-helix	trans	-63.8	-43.6	177.4	0	0	0	0	0	112.4	K595 S597 Q601 H602 A603	K595-G599 WeakPolarHBondContact O-CA 3.37Å; K595-G599 PolarHBondContact O-N 3.06Å; S597-G599 PolarHBondContact O-N 3.38Å; G599-Q601 PolarHBondContact O-N 2.79Å; G599-H602 WeakPolarHBondContact O-CA 3.46Å; G599-H602 VanDerWaalsContact O-CB 3.31Å; G599-H602 WeakPolarHBondContact O-CB 3.44Å; G599-H602 PolarHBondContact O-N 2.76Å; G599-H602 VanDerWaalsContact O-N 3.13Å; G599-A603 PolarHBondContact O-N 2.86Å
600	L	45.4	Very low	41.4	Very low	29 Å²	29	76 Å²	76	15%	0.152	36%	0.355	C	S	.	.	H	α-helix	trans	-70.4	-29.5	178.7	-75.3	165.6	0	0	0	113	S596 S597 H602 A603 M604 V2053 P2055 S2056	S596-L600 PolarHBondContact O-N 3.27Å; S597-L600 PolarHBondContact O-N 3.05Å; L600-H602 VanDerWaalsContact C-N 3.32Å; L600-A603 PolarHBondContact O-N 2.85Å; L600-M604 WeakPolarHBondContact O-CB 3.16Å; L600-M604 VanDerWaalsContact O-CG 3.22Å; L600-M604 WeakPolarHBondContact O-CG 3.18Å; L600-M604 PolarHBondContact O-N 3.32Å; L600-V2053 HydrophobicContact CD1-CB 3.62Å; L600-V2053 HydrophobicContact CD1-CG1 3.38Å; L600-P2055 HydrophobicContact CB-CB 4.2Å; L600-P2055 HydrophobicContact CD1-CB 4.26Å; L600-P2055 HydrophobicContact CD2-CB 4.27Å; L600-P2055 HydrophobicContact CG-CB 4.48Å; L600-S2056 WeakPolarHBondContact CB-OG 3.48Å
601	Q	38.7	Very low	42.6	Very low	52 Å²	52	75 Å²	75	24%	0.243	35%	0.35	C	S	.	.	H	α-helix	trans	-66.1	-37.7	169.9	-20.4	-175.8	-60.1	0	0	110.7	S597 T598 G599 K605 H2057	S597-Q601 WeakPolarHBondContact O-CG 3.33Å; S597-Q601 PolarHBondContact O-N 3.09Å; T598-Q601 PolarHBondContact O-N 3.29Å; G599-Q601 PolarHBondContact O-N 2.79Å; Q601-K605 WeakPolarHBondContact O-CB 3Å; Q601-K605 PolarHBondContact O-N 3.44Å; Q601-H2057 HydrophobicContact CB-CB 3.56Å; Q601-H2057 VanDerWaalsContact CB-CG 3.41Å; Q601-H2057 VanDerWaalsContact CD-CB 3.41Å; Q601-H2057 HydrophobicContact CG-CB 3.33Å; Q601-H2057 WeakPolarHBondContact CG-CD2 3.47Å; Q601-H2057 WeakPolarHBondContact CG-ND1 3.32Å; Q601-H2057 WeakPolarHBondContact CG-NE2 3.49Å; Q601-H2057 PolarHBondContact NE2-CD2 3.5Å; Q601-H2057 PolarHBondContact NE2-CE1 3.38Å; Q601-H2057 PolarHBondContact NE2-ND1 2.66Å; Q601-H2057 PolarHBondContact NE2-NE2 2.74Å; Q601-H2057 PolarHBondContact OE1-CD2 3.42Å; Q601-H2057 PolarHBondContact OE1-CE1 3.27Å; Q601-H2057 PolarHBondContact OE1-ND1 3.05Å; Q601-H2057 PolarHBondContact OE1-NE2 3.16Å
602	H	39.1	Very low	43.2	Very low	90 Å²	90	73.5 Å²	73.5	42%	0.417	34%	0.342	S	S	.	.	H	α-helix	trans	-64.8	-48.9	174.1	-162.7	-90.4	0	0	0	110.6	T598 G599 L600 M604 K605 Y606	T598-H602 PolarHBondContact O-N 2.8Å; T598-H602 VanDerWaalsContact O-N 3.08Å; G599-H602 WeakPolarHBondContact O-CA 3.46Å; G599-H602 VanDerWaalsContact O-CB 3.31Å; G599-H602 WeakPolarHBondContact O-CB 3.44Å; G599-H602 PolarHBondContact O-N 2.76Å; G599-H602 VanDerWaalsContact O-N 3.13Å; L600-H602 VanDerWaalsContact C-N 3.32Å; H602-M604 PolarHBondContact O-N 3.44Å; H602-K605 PolarHBondContact O-N 2.88Å; H602-K605 VanDerWaalsContact O-N 3.16Å; H602-Y606 AromaticContact CD2-CE2 3.78Å; H602-Y606 AromaticContact CE1-CD2 3.64Å; H602-Y606 AromaticContact CE1-CE2 3.47Å; H602-Y606 VanDerWaalsContact CE1-CE2 3.47Å; H602-Y606 WeakPolarHBondContact CE1-CE2 3.35Å; H602-Y606 AromaticContact ND1-CD2 3.71Å; H602-Y606 AromaticContact ND1-CE2 3.89Å; H602-Y606 AromaticContact NE2-CE2 3.39Å; H602-Y606 WeakPolarHBondContact NE2-CE2 3.39Å; H602-Y606 WeakPolarHBondContact O-CD2 3.23Å; H602-Y606 PolarHBondContact O-N 3.49Å; H602-Y606 VanDerWaalsContact O-N 3.14Å
603	A	39.6	Very low	44.1	Very low	28 Å²	28	73 Å²	73	23%	0.231	34%	0.339	C	S	.	.	H	α-helix	trans	-58.5	-43.3	175.5	0	0	0	0	0	112.8	G599 L600 Y606 R607	G599-A603 PolarHBondContact O-N 2.86Å; L600-A603 PolarHBondContact O-N 2.85Å; A603-Y606 PolarHBondContact O-N 3.39Å; A603-R607 PolarHBondContact O-N 3.43Å
604	M	43.1	Very low	44.9	Very low	54 Å²	54	68.7 Å²	68.7	27%	0.266	32%	0.323	S	S	.	.	H	α-helix	trans	-59.1	-48.1	172	-76.2	171	60.1	0	0	112.2	L600 H602 Y606 R607 F651 S2056	L600-M604 WeakPolarHBondContact O-CB 3.16Å; L600-M604 VanDerWaalsContact O-CG 3.22Å; L600-M604 WeakPolarHBondContact O-CG 3.18Å; L600-M604 PolarHBondContact O-N 3.32Å; H602-M604 PolarHBondContact O-N 3.44Å; M604-Y606 PolarHBondContact O-N 3.46Å; M604-R607 PolarHBondContact O-N 2.74Å; M604-F651 HydrophobicContact CE-CE1 3.63Å; M604-F651 HydrophobicContact CE-CE2 4.47Å; M604-F651 HydrophobicContact CE-CZ 3.55Å; M604-F651 HydrophobicContact CG-CE2 3.79Å; M604-F651 HydrophobicContact CG-CZ 3.63Å; M604-F651 HydrophobicContact SD-CE1 4.27Å; M604-F651 HydrophobicContact SD-CE2 4.37Å; M604-F651 HydrophobicContact SD-CZ 3.6Å; M604-F651 VanDerWaalsContact SD-CZ 3.6Å; M604-S2056 WeakPolarHBondContact CE-O 3.2Å; M604-S2056 PolarHBondContact SD-OG 3.3Å
605	K	39.1	Very low	45.7	Very low	162 Å²	162	69.2 Å²	69.2	70%	0.704	32%	0.319	S	S	*	.	H	α-helix	trans	-64.2	-21.5	-176.6	-168.2	168.6	-173.4	172.9	0	113.2	Q601 H602	Q601-K605 WeakPolarHBondContact O-CB 3Å; Q601-K605 PolarHBondContact O-N 3.44Å; H602-K605 PolarHBondContact O-N 2.88Å; H602-K605 VanDerWaalsContact O-N 3.16Å
606	Y	46.8	Very low	46.7	Very low	150 Å²	150	70 Å²	70	59%	0.588	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	9.8	178.4	-63.2	-71.9	0	0	0	115.1	H602 A603 M604 K608	H602-Y606 AromaticContact CD2-CE2 3.78Å; H602-Y606 AromaticContact CE1-CD2 3.64Å; H602-Y606 AromaticContact CE1-CE2 3.47Å; H602-Y606 VanDerWaalsContact CE1-CE2 3.47Å; H602-Y606 WeakPolarHBondContact CE1-CE2 3.35Å; H602-Y606 AromaticContact ND1-CD2 3.71Å; H602-Y606 AromaticContact ND1-CE2 3.89Å; H602-Y606 AromaticContact NE2-CE2 3.39Å; H602-Y606 WeakPolarHBondContact NE2-CE2 3.39Å; H602-Y606 WeakPolarHBondContact O-CD2 3.23Å; H602-Y606 PolarHBondContact O-N 3.49Å; H602-Y606 VanDerWaalsContact O-N 3.14Å; A603-Y606 PolarHBondContact O-N 3.39Å; M604-Y606 PolarHBondContact O-N 3.46Å; Y606-K608 PolarHBondContact O-N 2.79Å
607	R	44.1	Very low	47.4	Very low	227 Å²	227	71 Å²	71	86%	0.857	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	51.3	166.2	-61.2	-176.9	172.6	-173.2	-2.6	116.7	A603 M604	A603-R607 PolarHBondContact O-N 3.43Å; M604-R607 PolarHBondContact O-N 2.74Å
608	K	51.1	Low	48	Very low	101 Å²	101	70 Å²	70	44%	0.439	32%	0.321	S	S	.	.			trans	-78.9	141.9	173.5	-69.4	-177.3	-180	172.5	0	113.1	D544 Y606	D544-K608 HydrophobicContact CB-CB 4.48Å; D544-K608 WeakPolarHBondContact OD2-CA 3.48Å; D544-K608 WeakPolarHBondContact OD2-CB 3.05Å; Y606-K608 PolarHBondContact O-N 2.79Å
609	R	50.8	Low	48.6	Very low	145 Å²	145	68.3 Å²	68.3	55%	0.547	31%	0.31	S	S	.	.			trans	-83.4	137.3	173.4	-53.6	179.5	-167.7	171	5.4	110.6	C543 D544 Q545	C543-R609 HydrophobicContact CB-CB 4.31Å; D544-R609 WeakPolarHBondContact CB-O 3.24Å; D544-R609 PolarHBondContact N-O 3.49Å; D544-R609 PolarHBondContact OD2-N 3.36Å; Q545-R609 PolarHBondContact N-O 3.37Å
610	M	55.4	Low	49.3	Very low	24 Å²	24	68.6 Å²	68.6	12%	0.118	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.7	176.3	-162.6	171	-36.6	0	0	112.4	Q545 I547 V612 F648 Y2050	Q545-M610 HydrophobicContact CB-CB 4.44Å; Q545-M610 HydrophobicContact CB-CE 4.36Å; Q545-M610 HydrophobicContact CB-CG 3.89Å; Q545-M610 HydrophobicContact CB-SD 4.39Å; Q545-M610 CarbonylContact O-C 3.47Å; Q545-M610 VanDerWaalsContact O-CA 3.32Å; Q545-M610 WeakPolarHBondContact O-CA 3.36Å; Q545-M610 WeakPolarHBondContact O-CG 3.39Å; Q545-M610 VanDerWaalsContact OE1-CE 3.22Å; I547-M610 HydrophobicContact CD1-CG 4.38Å; I547-M610 HydrophobicContact CD1-SD 3.53Å; I547-M610 VanDerWaalsContact CD1-SD 3.53Å; M610-V612 HydrophobicContact CG-CG2 4.08Å; M610-V612 HydrophobicContact SD-CG2 4.13Å; M610-F648 HydrophobicContact CB-CD2 4.15Å; M610-F648 PolarHBondContact O-N 3.4Å; M610-Y2050 VanDerWaalsContact CE-OH 3.28Å; M610-Y2050 WeakPolarHBondContact CE-OH 3.43Å; M610-Y2050 HydrophobicContact SD-CE1 4.1Å; M610-Y2050 PolarHBondContact SD-OH 2.82Å
611	K	59.1	Low	49.8	Very low	60 Å²	60	70.9 Å²	70.9	26%	0.261	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.9	170.4	-166.7	-170	-174.8	-137.9	0	109.4	C543 Q545 R546 I547 D613 I646	C543-K611 HydrophobicContact CB-CB 4.11Å; Q545-K611 PolarHBondContact O-N 3.25Å; R546-K611 WeakPolarHBondContact CA-O 3.21Å; I547-K611 PolarHBondContact N-O 3.19Å; K611-D613 VanDerWaalsContact CE-OD1 3.3Å; K611-D613 WeakPolarHBondContact CE-OD1 3.34Å; K611-D613 VanDerWaalsContact CE-OD2 3.26Å; K611-D613 WeakPolarHBondContact CE-OD2 3.39Å; K611-D613 WeakPolarHBondContact CG-OD1 3.29Å; K611-D613 IonicContact NZ-OD1 2.74Å; K611-D613 IonicContact NZ-OD2 2.69Å; K611-D613 PolarHBondContact NZ-OD2 2.71Å; K611-I646 WeakPolarHBondContact CA-O 3.46Å
612	V	53.7	Low	50.7	Low	10 Å²	10	71.8 Å²	71.8	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	116.7	-178.5	-178.1	0	0	0	0	109.3	I547 M610 L614 H645 I646 F648 Y2050	I547-V612 HydrophobicContact CD1-CG2 4.12Å; M610-V612 HydrophobicContact CG-CG2 4.08Å; M610-V612 HydrophobicContact SD-CG2 4.13Å; V612-L614 HydrophobicContact CG1-CD1 4.17Å; V612-L614 HydrophobicContact CG1-CD2 4.1Å; V612-L614 HydrophobicContact CG1-CG 3.87Å; V612-H645 CarbonylContact O-C 3.3Å; V612-H645 WeakPolarHBondContact O-CA 3.25Å; V612-I646 HydrophobicContact CB-CB 4.36Å; V612-I646 PolarHBondContact N-O 3.48Å; V612-I646 PolarHBondContact O-N 2.85Å; V612-F648 HydrophobicContact CG2-CE2 4.37Å; V612-Y2050 HydrophobicContact CG2-CE1 4.38Å
613	D	56.8	Low	51.5	Low	33 Å²	33	68.7 Å²	68.7	18%	0.176	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	90.7	-173.5	-54.7	-18.7	0	0	0	109.3	I547 S548 L549 K611 H645	I547-D613 PolarHBondContact O-N 3.25Å; S548-D613 CarbonylContact C-O 3.27Å; S548-D613 WeakPolarHBondContact CA-O 3.27Å; L549-D613 PolarHBondContact N-O 2.85Å; K611-D613 VanDerWaalsContact CE-OD1 3.3Å; K611-D613 WeakPolarHBondContact CE-OD1 3.34Å; K611-D613 VanDerWaalsContact CE-OD2 3.26Å; K611-D613 WeakPolarHBondContact CE-OD2 3.39Å; K611-D613 WeakPolarHBondContact CG-OD1 3.29Å; K611-D613 IonicContact NZ-OD1 2.74Å; K611-D613 IonicContact NZ-OD2 2.69Å; K611-D613 PolarHBondContact NZ-OD2 2.71Å; D613-H645 VanDerWaalsContact CG-CE1 3.5Å; D613-H645 IonicContact OD1-CE1 2.88Å; D613-H645 PolarHBondContact OD1-CE1 2.91Å; D613-H645 IonicContact OD1-ND1 2.66Å; D613-H645 PolarHBondContact OD1-ND1 2.86Å; D613-H645 IonicContact OD2-CE1 2.82Å
614	L	52.3	Low	52.4	Low	49 Å²	49	67.9 Å²	67.9	26%	0.257	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.7	-179.2	-46.9	175.3	0	0	0	110.1	I547 L549 V612 K643 V644	I547-L614 HydrophobicContact CG2-CD2 4.39Å; L549-L614 HydrophobicContact CB-CD2 3.66Å; L549-L614 HydrophobicContact CD2-CD2 4.37Å; V612-L614 HydrophobicContact CG1-CD1 4.17Å; V612-L614 HydrophobicContact CG1-CD2 4.1Å; V612-L614 HydrophobicContact CG1-CG 3.87Å; L614-K643 CarbonylContact O-C 3.55Å; L614-K643 WeakPolarHBondContact O-CA 3.47Å; L614-V644 HydrophobicContact CB-CB 4.26Å; L614-V644 PolarHBondContact N-O 2.88Å; L614-V644 PolarHBondContact O-N 2.93Å
615	E	51.9	Low	52.8	Low	65 Å²	65	67 Å²	67	30%	0.304	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	94.2	173.9	-178.1	158.8	164.9	0	0	109.2	L549 L550 A551 L617 I642 K643	L549-E615 PolarHBondContact O-N 3.48Å; L550-E615 CarbonylContact C-O 3.51Å; L550-E615 WeakPolarHBondContact CA-O 3.32Å; L550-E615 HydrophobicContact CD1-CB 3.94Å; L550-E615 HydrophobicContact CD1-CG 3.72Å; A551-E615 PolarHBondContact N-O 3.42Å; E615-L617 HydrophobicContact CG-CD2 4.36Å; E615-I642 WeakPolarHBondContact CA-O 3.45Å; E615-K643 HydrophobicContact CG-CD 4.47Å; E615-K643 HydrophobicContact CG-CG 4.24Å; E615-K643 WeakPolarHBondContact OE1-CE 3.49Å; E615-K643 IonicContact OE1-NZ 2.74Å; E615-K643 PolarHBondContact OE1-NZ 3.38Å; E615-K643 WeakPolarHBondContact OE2-CE 3.3Å; E615-K643 IonicContact OE2-NZ 3.52Å; E615-K643 PolarHBondContact OE2-NZ 2.94Å
616	I	55.6	Low	53.6	Low	52 Å²	52	66 Å²	66	27%	0.267	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	112	178.3	-59.1	174.6	0	0	0	107.9	L549 A551 P641 I642	L549-I616 HydrophobicContact CD2-CD1 4.19Å; L549-I616 HydrophobicContact CD2-CG1 4.24Å; A551-I616 HydrophobicContact CB-CG1 4.35Å; A551-I616 HydrophobicContact CB-CG2 4.26Å; I616-P641 CarbonylContact O-C 3.54Å; I616-P641 WeakPolarHBondContact O-CA 3.38Å; I616-I642 HydrophobicContact CB-CB 4.36Å; I616-I642 PolarHBondContact N-O 2.88Å; I616-I642 PolarHBondContact O-N 2.85Å
617	L	56.5	Low	54	Low	34 Å²	34	59 Å²	59	18%	0.178	27%	0.266	C	S	.	.			trans	-83.9	165.3	-179.6	-62	172.3	0	0	0	111.7	L550 A551 Q552 P553 E615 T619 P641	L550-L617 HydrophobicContact CD1-CD1 4.43Å; A551-L617 WeakPolarHBondContact O-CB 3.46Å; A551-L617 WeakPolarHBondContact O-CG 3.3Å; A551-L617 PolarHBondContact O-N 2.81Å; Q552-L617 VanDerWaalsContact OE1-CD1 3.28Å; P553-L617 HydrophobicContact CG-CB 3.92Å; E615-L617 HydrophobicContact CG-CD2 4.36Å; L617-T619 PolarHBondContact O-N 2.92Å; L617-P641 HydrophobicContact CD2-CB 4.23Å
618	P	47.6	Very low	54.8	Low	25 Å²	25	49.7 Å²	49.7	16%	0.162	23%	0.233	C	C	.	.			trans	-58.8	97.5	-167.9	-32	39.2	0	0	0	117.6	P553 V620 K638 V639	P553-P618 WeakPolarHBondContact CA-O 3.46Å; P553-P618 WeakPolarHBondContact CB-O 3.46Å; P618-V620 PolarHBondContact O-N 3.25Å; P618-K638 HydrophobicContact CB-CB 3.98Å; P618-K638 HydrophobicContact CB-CG 4.26Å; P618-V639 WeakPolarHBondContact CA-O 3.41Å; P618-V639 WeakPolarHBondContact CB-O 3.14Å; P618-V639 WeakPolarHBondContact CG-O 3.35Å
619	T	55.7	Low	55.4	Low	39 Å²	39	47.6 Å²	47.6	24%	0.239	22%	0.222	C	C	.	.			trans	-58.7	134.4	161.8	-59.7	0	0	0	0	110.3	L554 I556 L617 V639	L554-T619 HydrophobicContact CB-CG2 4.22Å; L554-T619 CarbonylContact O-C 3.57Å; L554-T619 WeakPolarHBondContact O-CA 3.2Å; L554-T619 WeakPolarHBondContact O-CG2 3.4Å; I556-T619 HydrophobicContact CD1-CG2 3.89Å; I556-T619 HydrophobicContact CG1-CG2 4.3Å; L617-T619 PolarHBondContact O-N 2.92Å; T619-V639 WeakPolarHBondContact O-CG2 3.14Å; T619-V639 PolarHBondContact O-N 2.7Å
620	V	52.9	Low	55.8	Low	12 Å²	12	46.1 Å²	46.1	7%	0.073	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	107.6	175.5	174.3	0	0	0	0	109.2	V517 L554 V555 I556 P618 R622 V636 R637 K638	V517-V620 HydrophobicContact CG2-CB 4.41Å; V517-V620 HydrophobicContact CG2-CG2 3.99Å; L554-V620 PolarHBondContact O-N 3.05Å; V555-V620 CarbonylContact C-O 3.54Å; V555-V620 WeakPolarHBondContact CA-O 3.43Å; V555-V620 HydrophobicContact CG2-CB 4.5Å; I556-V620 PolarHBondContact N-O 3.06Å; P618-V620 PolarHBondContact O-N 3.25Å; V620-R622 HydrophobicContact CG1-CG 4.38Å; V620-V636 HydrophobicContact CG1-CG1 3.85Å; V620-R637 WeakPolarHBondContact CA-O 3.35Å; V620-K638 HydrophobicContact CG2-CG 4.06Å
621	L	56.5	Low	55.6	Low	77 Å²	77	49.5 Å²	49.5	40%	0.403	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.9	169.2	-176.3	61.5	0	0	0	109.5	I556 I623	I556-L621 HydrophobicContact CB-CD1 4.08Å; I556-L621 HydrophobicContact CG2-CD1 4.06Å; L621-I623 HydrophobicContact CD1-CG1 4.36Å; L621-I623 HydrophobicContact CD2-CD1 3.95Å; L621-I623 HydrophobicContact CD2-CG1 4.48Å; L621-I623 HydrophobicContact CG-CD1 4.16Å; L621-I623 HydrophobicContact CG-CG1 4.15Å
622	R	57.3	Low	54.9	Low	70 Å²	70	51.2 Å²	51.2	26%	0.264	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.7	168.5	-68.3	-177.7	177	170.8	-1.1	109.1	V555 I556 T557 Y558 V620 L634	V555-R622 VanDerWaalsContact CG1-CD 3.48Å; V555-R622 HydrophobicContact CG1-CG 3.9Å; I556-R622 WeakPolarHBondContact O-CA 3.4Å; I556-R622 PolarHBondContact O-N 3.09Å; I556-R622 VanDerWaalsContact O-O 3.05Å; T557-R622 WeakPolarHBondContact CA-O 3.18Å; T557-R622 HydrophobicContact CG2-CB 4.1Å; Y558-R622 PolarHBondContact N-O 3.35Å; Y558-R622 VanDerWaalsContact N-O 3.1Å; V620-R622 HydrophobicContact CG1-CG 4.38Å; R622-L634 HydrophobicContact CB-CD2 4.38Å; R622-L634 HydrophobicContact CG-CD2 3.75Å
623	I	56.1	Low	54.5	Low	26 Å²	26	55.6 Å²	55.6	13%	0.133	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	108.5	169.9	-63.6	167.9	0	0	0	106.4	L621 L722	L621-I623 HydrophobicContact CD1-CG1 4.36Å; L621-I623 HydrophobicContact CD2-CD1 3.95Å; L621-I623 HydrophobicContact CD2-CG1 4.48Å; L621-I623 HydrophobicContact CG-CD1 4.16Å; L621-I623 HydrophobicContact CG-CG1 4.15Å; I623-L722 HydrophobicContact CB-CD1 4.04Å; I623-L722 HydrophobicContact CB-CD2 3.94Å; I623-L722 HydrophobicContact CB-CG 4.24Å; I623-L722 HydrophobicContact CD1-CD2 3.61Å; I623-L722 HydrophobicContact CG1-CD2 4.36Å; I623-L722 HydrophobicContact CG2-CD1 3.78Å; I623-L722 HydrophobicContact CG2-CD2 3.9Å; I623-L722 HydrophobicContact CG2-CG 3.78Å
624	P	58.2	Low	54	Low	11 Å²	11	58.3 Å²	58.3	7%	0.071	28%	0.278	C	S	.	.			trans	-77.8	156.3	174.7	34.2	-33.8	0	0	0	110.4	T557 Y558 Y626 G627 D628	T557-P624 HydrophobicContact CG2-CG 4.32Å; Y558-P624 WeakPolarHBondContact O-CD 3.38Å; Y558-P624 WeakPolarHBondContact O-CG 3.15Å; P624-Y626 PolarHBondContact O-N 3.5Å; P624-G627 PolarHBondContact O-N 3.21Å; P624-G627 VanDerWaalsContact O-N 3.15Å; P624-D628 WeakPolarHBondContact CB-O 3.45Å
625	D	52.1	Low	53.7	Low	34 Å²	34	58.1 Å²	58.1	18%	0.182	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-71.1	133.5	-172	-126.1	-20.8	0	0	0	111	G627 D628 R631 N633 S725	D625-G627 PolarHBondContact O-N 3.28Å; D625-D628 PolarHBondContact O-N 3.36Å; D625-R631 HydrophobicContact CB-CB 4.31Å; D625-R631 PolarHBondContact N-O 2.87Å; D625-N633 HydrophobicContact CB-CB 4.26Å; D625-N633 PolarHBondContact OD2-ND2 3.45Å; D625-S725 PolarHBondContact OD1-OG 3.15Å
626	Y	54.4	Low	53.3	Low	143 Å²	143	59 Å²	59	56%	0.561	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	59.8	5.1	-172	-48.7	-88.4	0	0	0	115.2	P624 D628 S725 P727	P624-Y626 PolarHBondContact O-N 3.5Å; Y626-D628 VanDerWaalsContact C-N 3.34Å; Y626-S725 WeakPolarHBondContact CA-O 3.24Å; Y626-P727 WeakPolarHBondContact O-CG 3.27Å
627	G	55.3	Low	52.6	Low	3 Å²	3	60.4 Å²	60.4	3%	0.031	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	75	14.5	-176.3	0	0	0	0	0	115.5	H559 A560 P624 D625	H559-G627 PolarHBondContact CD2-O 3.12Å; A560-G627 PolarHBondContact N-O 2.8Å; P624-G627 PolarHBondContact O-N 3.21Å; P624-G627 VanDerWaalsContact O-N 3.15Å; D625-G627 PolarHBondContact O-N 3.28Å
628	D	62.1	Low	51.7	Low	30 Å²	30	65.7 Å²	65.7	16%	0.16	31%	0.31	C	S	.	.			trans	-90.1	120.3	170.5	178.1	-12.5	0	0	0	108.8	K505 P624 D625 Y626 E630 R631	K505-D628 VanDerWaalsContact NZ-CG 3.28Å; K505-D628 IonicContact NZ-OD1 3.73Å; K505-D628 PolarHBondContact NZ-OD1 3.37Å; K505-D628 IonicContact NZ-OD2 2.72Å; K505-D628 PolarHBondContact NZ-OD2 3.32Å; P624-D628 WeakPolarHBondContact CB-O 3.45Å; D625-D628 PolarHBondContact O-N 3.36Å; Y626-D628 VanDerWaalsContact C-N 3.34Å; D628-E630 PolarHBondContact O-N 3.36Å; D628-E630 PolarHBondContact OD1-N 3.16Å; D628-E630 VanDerWaalsContact OD1-N 3.14Å; D628-R631 HydrophobicContact CB-CB 4.28Å; D628-R631 HydrophobicContact CB-CG 3.97Å; D628-R631 PolarHBondContact O-N 3.18Å; D628-R631 IonicContact OD2-NE 2.66Å
629	Y	62.8	Low	51.4	Low	57 Å²	57	67.2 Å²	67.2	22%	0.224	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.2	-172.9	-176	-109	0	0	0	113.8	V511 P512 T557 R631 F632	V511-Y629 HydrophobicContact CB-CG 4.26Å; V511-Y629 HydrophobicContact CG1-CD1 4.29Å; V511-Y629 HydrophobicContact CG1-CD2 3.52Å; V511-Y629 HydrophobicContact CG1-CE2 4.11Å; V511-Y629 HydrophobicContact CG1-CG 3.61Å; V511-Y629 HydrophobicContact CG2-CD1 3.88Å; V511-Y629 HydrophobicContact CG2-CG 3.8Å; P512-Y629 HydrophobicContact CG-CE2 4.22Å; P512-Y629 WeakPolarHBondContact CG-OH 3.27Å; T557-Y629 HydrophobicContact CG2-CD2 3.9Å; T557-Y629 HydrophobicContact CG2-CE2 4.01Å; Y629-R631 VanDerWaalsContact C-N 3.28Å; Y629-R631 PolarHBondContact O-N 3.06Å; Y629-F632 HydrophobicContact CE1-CZ 4.39Å
630	E	59.9	Low	50.5	Low	115 Å²	115	66.2 Å²	66.2	54%	0.537	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.8	178.9	-59.2	-175.8	129	0	0	112.5	K505 D628 F632	K505-E630 IonicContact NZ-OE2 3.74Å; K505-E630 PolarHBondContact NZ-OE2 3.09Å; D628-E630 PolarHBondContact O-N 3.36Å; D628-E630 PolarHBondContact OD1-N 3.16Å; D628-E630 VanDerWaalsContact OD1-N 3.14Å; E630-F632 VanDerWaalsContact C-N 3.34Å; E630-F632 WeakPolarHBondContact O-CD2 3.13Å; E630-F632 PolarHBondContact O-N 2.94Å; E630-F632 VanDerWaalsContact O-N 3.07Å
631	R	51	Low	49.8	Very low	94 Å²	94	67.2 Å²	67.2	36%	0.355	32%	0.321	S	S	.	.	S	Bend	trans	-87.7	71.8	-179.5	-65.6	-172.2	179.4	-154.5	-7.4	111.4	D625 D628 Y629 N633	D625-R631 HydrophobicContact CB-CB 4.31Å; D625-R631 PolarHBondContact N-O 2.87Å; D628-R631 HydrophobicContact CB-CB 4.28Å; D628-R631 HydrophobicContact CB-CG 3.97Å; D628-R631 PolarHBondContact O-N 3.18Å; D628-R631 IonicContact OD2-NE 2.66Å; Y629-R631 VanDerWaalsContact C-N 3.28Å; Y629-R631 PolarHBondContact O-N 3.06Å; R631-N633 PolarHBondContact O-N 2.81Å
632	F	44.7	Very low	49.1	Very low	97 Å²	97	65.9 Å²	65.9	43%	0.425	31%	0.314	S	S	.	.			trans	-66.2	91.1	179.4	-72	-81.5	0	0	0	113.8	Y629 E630 L634	Y629-F632 HydrophobicContact CE1-CZ 4.39Å; E630-F632 VanDerWaalsContact C-N 3.34Å; E630-F632 WeakPolarHBondContact O-CD2 3.13Å; E630-F632 PolarHBondContact O-N 2.94Å; E630-F632 VanDerWaalsContact O-N 3.07Å; F632-L634 HydrophobicContact CD1-CD1 3.83Å; F632-L634 HydrophobicContact CD1-CG 4.14Å; F632-L634 HydrophobicContact CE1-CD1 4.4Å
633	N	45.6	Very low	48.1	Very low	102 Å²	102	67.1 Å²	67.1	55%	0.545	32%	0.321	S	S	.	.			trans	-113.8	79.5	153.2	-92.6	-34.8	0	0	0	108.9	D625 R631 I635	D625-N633 HydrophobicContact CB-CB 4.26Å; D625-N633 PolarHBondContact OD2-ND2 3.45Å; R631-N633 PolarHBondContact O-N 2.81Å; N633-I635 PolarHBondContact O-N 2.72Å
634	L	46.4	Very low	47.2	Very low	90 Å²	90	68 Å²	68	47%	0.471	33%	0.327	S	S	.	.			trans	-69.2	94.7	-169.5	-97.5	161.8	0	0	0	113.2	R622 F632 V636	R622-L634 HydrophobicContact CB-CD2 4.38Å; R622-L634 HydrophobicContact CG-CD2 3.75Å; F632-L634 HydrophobicContact CD1-CD1 3.83Å; F632-L634 HydrophobicContact CD1-CG 4.14Å; F632-L634 HydrophobicContact CE1-CD1 4.4Å; L634-V636 HydrophobicContact CB-CG2 4.19Å; L634-V636 HydrophobicContact CD2-CG2 3.78Å; L634-V636 PolarHBondContact O-N 2.95Å
635	I	44.2	Very low	46.3	Very low	44 Å²	44	72.9 Å²	72.9	23%	0.226	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	119.1	151.3	-63.5	-168.7	0	0	0	107.8	N633 L722	N633-I635 PolarHBondContact O-N 2.72Å; I635-L722 HydrophobicContact CD1-CB 4.45Å; I635-L722 HydrophobicContact CD1-CD1 3.77Å; I635-L722 HydrophobicContact CD1-CD2 3.84Å; I635-L722 HydrophobicContact CD1-CG 4.23Å; I635-L722 HydrophobicContact CG1-CD1 4.21Å
636	V	44.5	Very low	45.6	Very low	83 Å²	83	73.5 Å²	73.5	50%	0.503	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	94	174.9	175.9	0	0	0	0	107.5	V620 L634	V620-V636 HydrophobicContact CG1-CG1 3.85Å; L634-V636 HydrophobicContact CB-CG2 4.19Å; L634-V636 HydrophobicContact CD2-CG2 3.78Å; L634-V636 PolarHBondContact O-N 2.95Å
637	R	41.1	Very low	45	Very low	83 Å²	83	70.3 Å²	70.3	31%	0.313	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	102	176.4	-170.7	-179.5	-173.1	-169.2	2.5	110.1	V620 V639	V620-R637 WeakPolarHBondContact CA-O 3.35Å; R637-V639 PolarHBondContact O-N 3.49Å
638	K	37.8	Very low	44	Very low	145 Å²	145	73.7 Å²	73.7	63%	0.63	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	115.9	162.8	-74.9	179.6	-179.4	176.4	0	108.5	P618 V620	P618-K638 HydrophobicContact CB-CB 3.98Å; P618-K638 HydrophobicContact CB-CG 4.26Å; V620-K638 HydrophobicContact CG2-CG 4.06Å
639	V	40	Very low	42.9	Very low	57 Å²	57	82 Å²	82	35%	0.345	39%	0.388	S	S	.	.			trans	-67.2	146.4	166.6	176.8	0	0	0	0	109	P618 T619 R637	P618-V639 WeakPolarHBondContact CA-O 3.41Å; P618-V639 WeakPolarHBondContact CB-O 3.14Å; P618-V639 WeakPolarHBondContact CG-O 3.35Å; T619-V639 WeakPolarHBondContact O-CG2 3.14Å; T619-V639 PolarHBondContact O-N 2.7Å; R637-V639 PolarHBondContact O-N 3.49Å
640	A	36.6	Very low	41.5	Very low	17 Å²	17	84.7 Å²	84.7	14%	0.14	42%	0.415	C	S	.	.			trans	-63.2	148.4	178.9	0	0	0	0	0	112.5	I642 P678 T679	A640-I642 PolarHBondContact O-N 2.84Å; A640-P678 HydrophobicContact CB-CB 4.36Å; A640-T679 VanDerWaalsContact CB-O 3.29Å; A640-T679 WeakPolarHBondContact CB-O 3.49Å
641	P	39.2	Very low	40.1	Very low	33 Å²	33	84.5 Å²	84.5	21%	0.214	41%	0.413	C	S	.	.			trans	-69.6	114.1	174.6	28.4	-32.7	0	0	0	110.6	I616 L617	I616-P641 CarbonylContact O-C 3.54Å; I616-P641 WeakPolarHBondContact O-CA 3.38Å; L617-P641 HydrophobicContact CD2-CB 4.23Å
642	I	40.8	Very low	39.3	Very low	50 Å²	50	90.3 Å²	90.3	26%	0.256	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	111.5	-178.7	-59.8	174.3	0	0	0	108.7	E615 I616 A640 V644	E615-I642 WeakPolarHBondContact CA-O 3.45Å; I616-I642 HydrophobicContact CB-CB 4.36Å; I616-I642 PolarHBondContact N-O 2.88Å; I616-I642 PolarHBondContact O-N 2.85Å; A640-I642 PolarHBondContact O-N 2.84Å; I642-V644 HydrophobicContact CG2-CG2 3.82Å
643	K	37	Very low	38.6	Very low	95 Å²	95	87.5 Å²	87.5	41%	0.413	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	90.9	175.1	-66	-157.8	-178.9	-141.3	0	111.9	L614 E615 F681	L614-K643 CarbonylContact O-C 3.55Å; L614-K643 WeakPolarHBondContact O-CA 3.47Å; E615-K643 HydrophobicContact CG-CD 4.47Å; E615-K643 HydrophobicContact CG-CG 4.24Å; E615-K643 WeakPolarHBondContact OE1-CE 3.49Å; E615-K643 IonicContact OE1-NZ 2.74Å; E615-K643 PolarHBondContact OE1-NZ 3.38Å; E615-K643 WeakPolarHBondContact OE2-CE 3.3Å; E615-K643 IonicContact OE2-NZ 3.52Å; E615-K643 PolarHBondContact OE2-NZ 2.94Å; K643-F681 PolarHBondContact N-O 2.76Å; K643-F681 VanDerWaalsContact O-O 3.05Å
644	V	37.4	Very low	37.8	Very low	44 Å²	44	89 Å²	89	27%	0.267	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.6	179.3	172.5	0	0	0	0	109.8	L614 I642 I646	L614-V644 HydrophobicContact CB-CB 4.26Å; L614-V644 PolarHBondContact N-O 2.88Å; L614-V644 PolarHBondContact O-N 2.93Å; I642-V644 HydrophobicContact CG2-CG2 3.82Å; V644-I646 HydrophobicContact CG1-CD1 3.63Å; V644-I646 HydrophobicContact CG1-CG1 3.73Å
645	H	39.7	Very low	37.1	Very low	114 Å²	114	92.1 Å²	92.1	53%	0.528	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	107.8	-175.8	-153.3	4.2	0	0	0	109	V612 D613	V612-H645 CarbonylContact O-C 3.3Å; V612-H645 WeakPolarHBondContact O-CA 3.25Å; D613-H645 VanDerWaalsContact CG-CE1 3.5Å; D613-H645 IonicContact OD1-CE1 2.88Å; D613-H645 PolarHBondContact OD1-CE1 2.91Å; D613-H645 IonicContact OD1-ND1 2.66Å; D613-H645 PolarHBondContact OD1-ND1 2.86Å; D613-H645 IonicContact OD2-CE1 2.82Å
646	I	36.1	Very low	36.5	Very low	48 Å²	48	93.9 Å²	93.9	25%	0.246	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.7	-170.1	-46.9	174.6	0	0	0	111.3	K611 V612 V644 F648	K611-I646 WeakPolarHBondContact CA-O 3.46Å; V612-I646 HydrophobicContact CB-CB 4.36Å; V612-I646 PolarHBondContact N-O 3.48Å; V612-I646 PolarHBondContact O-N 2.85Å; V644-I646 HydrophobicContact CG1-CD1 3.63Å; V644-I646 HydrophobicContact CG1-CG1 3.73Å; I646-F648 HydrophobicContact CB-CE2 4.19Å; I646-F648 HydrophobicContact CD1-CZ 4.49Å; I646-F648 HydrophobicContact CG2-CD1 4.27Å; I646-F648 HydrophobicContact CG2-CD2 3.79Å; I646-F648 HydrophobicContact CG2-CE1 4.01Å; I646-F648 HydrophobicContact CG2-CE2 3.5Å; I646-F648 HydrophobicContact CG2-CG 4.19Å; I646-F648 HydrophobicContact CG2-CZ 3.63Å
647	D	41.8	Very low	35.7	Very low	76 Å²	76	93.6 Å²	93.6	41%	0.406	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.5	170.4	177.4	-1.7	0	0	0	109	R649	D647-R649 PolarHBondContact O-N 3.07Å; D647-R649 WeakPolarHBondContact OD1-CG 3.31Å; D647-R649 IonicContact OD1-NE 3.33Å; D647-R649 PolarHBondContact OD1-NE 3.32Å; D647-R649 IonicContact OD2-CZ 3.16Å; D647-R649 IonicContact OD2-NE 3.79Å; D647-R649 PolarHBondContact OD2-NE 2.92Å; D647-R649 IonicContact OD2-NH2 2.69Å; D647-R649 PolarHBondContact OD2-NH2 3.39Å
648	F	35.5	Very low	35.1	Very low	73 Å²	73	95.8 Å²	95.8	32%	0.32	47%	0.473	S	S	.	.			trans	-87.8	102.5	-173.8	-71.7	-83.6	0	0	0	112.4	M610 V612 I646	M610-F648 HydrophobicContact CB-CD2 4.15Å; M610-F648 PolarHBondContact O-N 3.4Å; V612-F648 HydrophobicContact CG2-CE2 4.37Å; I646-F648 HydrophobicContact CB-CE2 4.19Å; I646-F648 HydrophobicContact CD1-CZ 4.49Å; I646-F648 HydrophobicContact CG2-CD1 4.27Å; I646-F648 HydrophobicContact CG2-CD2 3.79Å; I646-F648 HydrophobicContact CG2-CE1 4.01Å; I646-F648 HydrophobicContact CG2-CE2 3.5Å; I646-F648 HydrophobicContact CG2-CG 4.19Å; I646-F648 HydrophobicContact CG2-CZ 3.63Å
649	R	39.6	Very low	34.7	Very low	205 Å²	205	92.2 Å²	92.2	77%	0.774	46%	0.463	S	S	*	.			trans	-111.4	-25.5	-179.6	-58.7	-168.1	-174.6	-166.4	4.3	116.9	D647	D647-R649 PolarHBondContact O-N 3.07Å; D647-R649 WeakPolarHBondContact OD1-CG 3.31Å; D647-R649 IonicContact OD1-NE 3.33Å; D647-R649 PolarHBondContact OD1-NE 3.32Å; D647-R649 IonicContact OD2-CZ 3.16Å; D647-R649 IonicContact OD2-NE 3.79Å; D647-R649 PolarHBondContact OD2-NE 2.92Å; D647-R649 IonicContact OD2-NH2 2.69Å; D647-R649 PolarHBondContact OD2-NH2 3.39Å
650	S	32.2	Very low	34.2	Very low	114 Å²	114	97.9 Å²	97.9	80%	0.797	49%	0.49	S	S	*	.			trans	-165.1	163.2	170.5	-89.4	0	0	0	0	112.5
651	F	30.2	Very low	33.8	Very low	111 Å²	111	100.7 Å²	100.7	49%	0.487	51%	0.509	S	S	.	.	S	Bend	trans	-102	-21	-141.5	-158.1	-99.4	0	0	0	118.2	M604 P2055	M604-F651 HydrophobicContact CE-CE1 3.63Å; M604-F651 HydrophobicContact CE-CE2 4.47Å; M604-F651 HydrophobicContact CE-CZ 3.55Å; M604-F651 HydrophobicContact CG-CE2 3.79Å; M604-F651 HydrophobicContact CG-CZ 3.63Å; M604-F651 HydrophobicContact SD-CE1 4.27Å; M604-F651 HydrophobicContact SD-CE2 4.37Å; M604-F651 HydrophobicContact SD-CZ 3.6Å; M604-F651 VanDerWaalsContact SD-CZ 3.6Å; F651-P2055 HydrophobicContact CE2-CG 4.38Å; F651-P2055 HydrophobicContact CZ-CG 4.3Å
652	Y	34.5	Very low	33.1	Very low	216 Å²	216	105.8 Å²	105.8	85%	0.847	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-85.6	-14.1	-166.1	-86.7	-83.3	0	0	0	116.6	F654	Y652-F654 PolarHBondContact O-N 2.95Å
653	T	30.3	Very low	32.5	Very low	37 Å²	37	108.9 Å²	108.9	23%	0.227	56%	0.56	C	S	.	*	G	3₁₀ helix	trans	-78.4	-12.2	-166.7	-32.7	0	0	0	0	114.9	I655 T698 I700	T653-I655 PolarHBondContact O-N 2.87Å; T653-I655 VanDerWaalsContact O-N 3.14Å; T653-T698 HydrophobicContact CG2-CG2 3.68Å; T653-I700 HydrophobicContact CG2-CD1 4.4Å
654	F	29.3	Very low	31.9	Very low	134 Å²	134	114 Å²	114	59%	0.588	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-69	-12.3	-170.5	-165.2	-99.4	0	0	0	114.8	Y652 C2054	Y652-F654 PolarHBondContact O-N 2.95Å; F654-C2054 HydrophobicContact CZ-CB 4.2Å
655	I	32.2	Very low	31.4	Very low	155 Å²	155	115.6 Å²	115.6	80%	0.795	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-103.7	-15.6	-169.4	-65.9	172.2	0	0	0	113.1	T653	T653-I655 PolarHBondContact O-N 2.87Å; T653-I655 VanDerWaalsContact O-N 3.14Å
656	A	30.1	Very low	30.6	Very low	81 Å²	81	115.6 Å²	115.6	67%	0.669	62%	0.619	S	S	*	*	S	Bend	trans	-105.4	20.2	-169.7	0	0	0	0	0	114.7
657	L	29.3	Very low	30	Very low	77 Å²	77	122 Å²	122	40%	0.403	65%	0.646	S	S	.	*	S	Bend	trans	-118.1	6.8	-162.5	-122.9	175.4	0	0	0	115.7	L685 I700	L657-L685 HydrophobicContact CD1-CD2 3.94Å; L657-I700 HydrophobicContact CD1-CD1 3.83Å; L657-I700 HydrophobicContact CD1-CG1 3.97Å; L657-I700 HydrophobicContact CD1-CG2 4.29Å; L657-I700 HydrophobicContact CD2-CD1 4.14Å; L657-I700 HydrophobicContact CD2-CG2 4.24Å; L657-I700 HydrophobicContact CG-CD1 3.77Å; L657-I700 HydrophobicContact CG-CG1 4.41Å
658	F	27.2	Very low	29.3	Very low	130 Å²	130	124.9 Å²	124.9	57%	0.57	66%	0.661	S	S	*	*	S	Bend	trans	-119.8	12	-178	-90.7	-76.9	0	0	0	113.7	V1926	F658-V1926 HydrophobicContact CD1-CG2 4.08Å; F658-V1926 HydrophobicContact CE1-CG2 3.44Å; F658-V1926 VanDerWaalsContact CE1-CG2 3.44Å; F658-V1926 HydrophobicContact CZ-CG2 3.89Å
659	T	28.7	Very low	28.8	Very low	69 Å²	69	128.1 Å²	128.1	42%	0.423	68%	0.681	S	S	.	*			trans	-145.3	52.2	-161.7	61.9	0	0	0	0	114.5
660	L	30	Very low	28.3	Very low	176 Å²	176	125.7 Å²	125.7	92%	0.921	68%	0.683	S	S	*	*			trans	-155.5	143	166.1	-82	-174.3	0	0	0	110.8
661	S	27.8	Very low	28.1	Very low	77 Å²	77	128 Å²	128	54%	0.538	69%	0.686	S	S	.	*			trans	-122.7	177.7	-172.4	70.8	0	0	0	0	115.6
662	D	26.2	Very low	27.9	Very low	139 Å²	139	127.4 Å²	127.4	74%	0.743	70%	0.701	S	S	*	*			trans	58.1	114.8	157.8	-56.7	-37.5	0	0	0	121.2
663	S	26.7	Very low	27.8	Very low	115 Å²	115	124.4 Å²	124.4	80%	0.804	71%	0.706	S	S	*	*				175.2	132.7	87.6	40.7	0	0	0	0	115.2
664	Q	24.6	Very low	27.9	Very low	204 Å²	204	126.1 Å²	126.1	95%	0.953	72%	0.723	S	S	*	*			trans	44.4	122.4	155.7	-57.8	-167	-0.1	0	0	122.4
665	G	26.7	Very low	28.2	Very low	77 Å²	77	122 Å²	122	79%	0.794	71%	0.708	S	S	*	*			trans	-166.9	159.3	162.5	0	0	0	0	0	110.5
666	T	22.7	Very low	28.3	Very low	114 Å²	114	116.9 Å²	116.9	70%	0.699	68%	0.681	S	S	*	*			trans	-134.4	176.6	-175.1	54	0	0	0	0	112.8
667	F	24.6	Very low	28.2	Very low	183 Å²	183	118.5 Å²	118.5	80%	0.803	68%	0.675	S	S	*	*			trans	81.9	138.9	174.4	-52.4	-72.1	0	0	0	116.1
668	D	27.2	Very low	28.3	Very low	136 Å²	136	118.4 Å²	118.4	73%	0.727	68%	0.679	S	S	*	*			cis	-159.9	174.7	-20.3	-145.7	-31.2	0	0	0	109.8
669	L	25.8	Very low	28.6	Very low	140 Å²	140	113.4 Å²	113.4	73%	0.733	66%	0.659	S	S	*	*			trans	-71.8	139.7	-171.4	-82.6	63.1	0	0	0	115.4
670	D	28.6	Very low	28.8	Very low	155 Å²	155	111.7 Å²	111.7	83%	0.829	66%	0.655	S	S	*	*				-168.8	163.6	120.9	-124.7	-27.4	0	0	0	115.1
671	L	27.4	Very low	29.2	Very low	163 Å²	163	107.8 Å²	107.8	85%	0.853	63%	0.631	S	S	*	*			trans	65.6	86.7	179.2	-78.5	83.6	0	0	0	118.9
672	A	26.6	Very low	29.5	Very low	97 Å²	97	110.4 Å²	110.4	80%	0.802	63%	0.632	S	S	*	*			trans	-94.2	118.3	171.9	0	0	0	0	0	114.3
673	T	31.8	Very low	29.9	Very low	154 Å²	154	108.1 Å²	108.1	95%	0.945	62%	0.619	S	S	*	*			trans	-166	28.9	158.5	2.4	0	0	0	0	115
674	A	32.8	Very low	30.3	Very low	72 Å²	72	105.7 Å²	105.7	60%	0.595	60%	0.599	S	S	*	*			trans	-122	142.4	-176.2	0	0	0	0	0	113.1	L676	A674-L676 WeakPolarHBondContact CB-O 3.47Å; A674-L676 PolarHBondContact O-N 2.86Å
675	L	35.9	Very low	30.6	Very low	49 Å²	49	100 Å²	100	26%	0.257	58%	0.575	S	S	.	*	S	Bend	trans	-77.6	-8	177.9	-156.3	144.7	0	0	0	112.8	I711 Y715	L675-I711 HydrophobicContact CD2-CD1 4.29Å; L675-I711 HydrophobicContact CD2-CG1 4.44Å; L675-Y715 HydrophobicContact CD1-CD1 3.69Å; L675-Y715 HydrophobicContact CD1-CE1 4.2Å; L675-Y715 HydrophobicContact CG-CD1 4.35Å
676	L	33	Very low	31.1	Very low	46 Å²	46	103.5 Å²	103.5	24%	0.241	57%	0.571	C	S	.	*	S	Bend	trans	-164.6	135.1	175.1	-105.4	156	0	0	0	104.4	A674 V709	A674-L676 WeakPolarHBondContact CB-O 3.47Å; A674-L676 PolarHBondContact O-N 2.86Å; L676-V709 HydrophobicContact CD2-CB 4.34Å; L676-V709 HydrophobicContact CD2-CG1 3.92Å; L676-V709 HydrophobicContact CD2-CG2 3.9Å
677	E	29.6	Very low	31.5	Very low	115 Å²	115	102.3 Å²	102.3	54%	0.537	56%	0.563	S	S	.	*			trans	-63.7	143.8	173.1	-68.4	-174.4	154.6	0	0	110.5	T679	E677-T679 PolarHBondContact O-N 3.4Å; E677-T679 PolarHBondContact O-OG1 2.76Å
678	P	29.9	Very low	31.9	Very low	76 Å²	76	97.1 Å²	97.1	49%	0.494	55%	0.554	S	S	.	*			trans	-74.7	75.2	-179.2	31.8	-35.5	0	0	0	110.6	A640 G680	A640-P678 HydrophobicContact CB-CB 4.36Å; P678-G680 PolarHBondContact O-N 2.94Å
679	T	34.4	Very low	32.1	Very low	25 Å²	25	98.1 Å²	98.1	15%	0.153	56%	0.558	C	S	.	*			trans	-56.7	96.1	-178.5	15.6	0	0	0	0	112.2	A640 E677 F681 D706 L707	A640-T679 VanDerWaalsContact CB-O 3.29Å; A640-T679 WeakPolarHBondContact CB-O 3.49Å; E677-T679 PolarHBondContact O-N 3.4Å; E677-T679 PolarHBondContact O-OG1 2.76Å; T679-F681 WeakPolarHBondContact O-CD2 3.31Å; T679-F681 WeakPolarHBondContact O-CE2 3.43Å; T679-F681 PolarHBondContact O-N 2.76Å; T679-D706 WeakPolarHBondContact CG2-O 3.19Å; T679-L707 HydrophobicContact CG2-CB 4.17Å; T679-L707 HydrophobicContact CG2-CD1 3.74Å
680	G	32.5	Very low	32.4	Very low	32 Å²	32	96.8 Å²	96.8	33%	0.33	56%	0.555	S	S	.	*			trans	-74.6	87.1	-178.6	0	0	0	0	0	112	P678 K682	P678-G680 PolarHBondContact O-N 2.94Å; G680-K682 PolarHBondContact O-N 3.45Å
681	F	38.8	Very low	32.6	Very low	94 Å²	94	96 Å²	96	41%	0.412	55%	0.551	S	S	.	*			trans	-63	120.9	176.4	-66.6	-85.7	0	0	0	111.3	K643 T679	K643-F681 PolarHBondContact N-O 2.76Å; K643-F681 VanDerWaalsContact O-O 3.05Å; T679-F681 WeakPolarHBondContact O-CD2 3.31Å; T679-F681 WeakPolarHBondContact O-CE2 3.43Å; T679-F681 PolarHBondContact O-N 2.76Å
682	K	33.2	Very low	32.8	Very low	132 Å²	132	92.3 Å²	92.3	57%	0.574	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	102.9	173.5	-176.7	-174	177.1	-174.5	0	110.5	G680	G680-K682 PolarHBondContact O-N 3.45Å
683	I	35.8	Very low	33.4	Very low	92 Å²	92	94.6 Å²	94.6	47%	0.472	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.8	-178.4	-58.2	174.5	0	0	0	109.5	L685	I683-L685 HydrophobicContact CG2-CD2 4.43Å; I683-L685 HydrophobicContact CG2-CG 4.27Å
684	V	34.3	Very low	33.6	Very low	63 Å²	63	96.2 Å²	96.2	38%	0.382	53%	0.53	S	S	.	.			trans	-136.6	136.2	173.9	-173.1	0	0	0	0	109.7	C701	V684-C701 PolarHBondContact O-N 3.17Å
685	L	32.1	Very low	33.8	Very low	85 Å²	85	98.2 Å²	98.2	45%	0.445	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.1	-171.5	-61.6	171.6	0	0	0	111.2	L657 I683 I700	L657-L685 HydrophobicContact CD1-CD2 3.94Å; I683-L685 HydrophobicContact CG2-CD2 4.43Å; I683-L685 HydrophobicContact CG2-CG 4.27Å; L685-I700 HydrophobicContact CD2-CB 4.4Å; L685-I700 HydrophobicContact CD2-CG1 3.84Å; L685-I700 HydrophobicContact CD2-CG2 3.89Å
686	Q	35.2	Very low	33.4	Very low	151 Å²	151	101.8 Å²	101.8	71%	0.706	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-141.8	156	174.5	-68.3	-172.6	-13	0	0	110.9	R699	Q686-R699 VanDerWaalsContact O-O 3.08Å
687	T	31.9	Very low	33.5	Very low	88 Å²	88	104 Å²	104	54%	0.54	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-158.1	145.9	-175.4	-56.3	0	0	0	0	111.2	T698	T687-T698 HydrophobicContact CG2-CG2 3.69Å
688	A	32.7	Very low	33.5	Very low	74 Å²	74	101.3 Å²	101.3	61%	0.612	56%	0.555	S	S	*	*			trans	-124.3	165.9	177.3	0	0	0	0	0	111.7
689	I	30.9	Very low	33.6	Very low	157 Å²	157	107.3 Å²	107.3	81%	0.805	57%	0.568	S	S	*	*			trans	-114.8	118.3	-167.9	-56.1	169.5	0	0	0	110.6
690	V	33.1	Very low	33.7	Very low	112 Å²	112	109.5 Å²	109.5	68%	0.679	58%	0.578	S	S	*	*			trans	-148.1	145.6	165.4	-172.5	0	0	0	0	107.9	K697	V690-K697 VanDerWaalsContact O-CD 3.29Å; V690-K697 WeakPolarHBondContact O-CD 3.47Å; V690-K697 WeakPolarHBondContact O-CE 3.49Å; V690-K697 PolarHBondContact O-NZ 2.75Å
691	D	32.2	Very low	33.6	Very low	140 Å²	140	111.6 Å²	111.6	75%	0.749	59%	0.587	S	S	*	*			trans	-86.5	-10.3	-161.2	-71	-55.7	0	0	0	118.1	V693 K697	D691-V693 PolarHBondContact O-N 3.14Å; D691-K697 PolarHBondContact O-NZ 3.13Å
692	D	31.8	Very low	33.4	Very low	84 Å²	84	108.9 Å²	108.9	45%	0.449	59%	0.585	S	S	.	*			trans	-56.4	134.7	-174.8	-162.3	-30.6	0	0	0	113.8	K694 L695 K697	D692-K694 VanDerWaalsContact C-N 3.34Å; D692-K694 PolarHBondContact OD1-N 2.82Å; D692-L695 HydrophobicContact CB-CD1 4.43Å; D692-K697 WeakPolarHBondContact O-CE 3.18Å; D692-K697 PolarHBondContact O-NZ 2.79Å
693	V	40.1	Very low	33.3	Very low	145 Å²	145	107.5 Å²	107.5	88%	0.879	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-15.7	-179	-176.7	0	0	0	0	112.2	D691	D691-V693 PolarHBondContact O-N 3.14Å
694	K	36.1	Very low	33.2	Very low	188 Å²	188	109.8 Å²	109.8	82%	0.817	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-3.2	-174.4	-66.2	-177.4	176.9	179.1	0	115.6	D692	D692-K694 VanDerWaalsContact C-N 3.34Å; D692-K694 PolarHBondContact OD1-N 2.82Å
695	L	35.7	Very low	33.2	Very low	115 Å²	115	110.7 Å²	110.7	60%	0.602	61%	0.608	S	S	*	*	S	Bend	trans	-119.2	130.1	-174.6	-78.3	163.6	0	0	0	112.2	D692 K697	D692-L695 HydrophobicContact CB-CD1 4.43Å; L695-K697 VanDerWaalsContact O-CG 3.24Å; L695-K697 WeakPolarHBondContact O-CG 3.26Å
696	P	28.8	Very low	33.1	Very low	124 Å²	124	112.9 Å²	112.9	81%	0.805	62%	0.62	S	S	*	*			trans	-63.9	132.4	168.8	-20.5	33.1	0	0	0	111.5
697	K	33.8	Very low	33	Very low	91 Å²	91	109.4 Å²	109.4	40%	0.396	61%	0.606	S	S	.	*			trans	-106.7	4.8	-163.8	-52.1	-173.2	-179.6	-172.2	0	115.4	V690 D691 D692 L695	V690-K697 VanDerWaalsContact O-CD 3.29Å; V690-K697 WeakPolarHBondContact O-CD 3.47Å; V690-K697 WeakPolarHBondContact O-CE 3.49Å; V690-K697 PolarHBondContact O-NZ 2.75Å; D691-K697 PolarHBondContact O-NZ 3.13Å; D692-K697 WeakPolarHBondContact O-CE 3.18Å; D692-K697 PolarHBondContact O-NZ 2.79Å; L695-K697 VanDerWaalsContact O-CG 3.24Å; L695-K697 WeakPolarHBondContact O-CG 3.26Å
698	T	31	Very low	32.8	Very low	59 Å²	59	108.2 Å²	108.2	36%	0.362	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.8	125.1	-164.9	47.1	0	0	0	0	111.5	T653 T687	T653-T698 HydrophobicContact CG2-CG2 3.68Å; T687-T698 HydrophobicContact CG2-CG2 3.69Å
699	R	32.3	Very low	32.8	Very low	202 Å²	202	107.9 Å²	107.9	76%	0.762	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.1	114	174.2	-171	-179.6	-175.5	173.8	2.5	109.4	Q686	Q686-R699 VanDerWaalsContact O-O 3.08Å
700	I	34.7	Very low	32.6	Very low	71 Å²	71	107 Å²	107	36%	0.364	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.2	139.3	175.8	-61.9	128.4	0	0	0	108.6	T653 L657 L685	T653-I700 HydrophobicContact CG2-CD1 4.4Å; L657-I700 HydrophobicContact CD1-CD1 3.83Å; L657-I700 HydrophobicContact CD1-CG1 3.97Å; L657-I700 HydrophobicContact CD1-CG2 4.29Å; L657-I700 HydrophobicContact CD2-CD1 4.14Å; L657-I700 HydrophobicContact CD2-CG2 4.24Å; L657-I700 HydrophobicContact CG-CD1 3.77Å; L657-I700 HydrophobicContact CG-CG1 4.41Å; L685-I700 HydrophobicContact CD2-CB 4.4Å; L685-I700 HydrophobicContact CD2-CG1 3.84Å; L685-I700 HydrophobicContact CD2-CG2 3.89Å
701	C	31.6	Very low	32.8	Very low	76 Å²	76	105.1 Å²	105.1	51%	0.514	57%	0.573	S	S	.	*			trans	-138.2	87.5	-178.9	-65.9	0	0	0	0	109.6	V684	V684-C701 PolarHBondContact O-N 3.17Å
702	G	35.1	Very low	32.8	Very low	37 Å²	37	101.4 Å²	101.4	38%	0.381	56%	0.558	S	S	.	*			trans	-122.5	134.6	169.3	0	0	0	0	0	109.6
703	T	30.3	Very low	32.9	Very low	103 Å²	103	99.7 Å²	99.7	63%	0.632	55%	0.549	S	S	*	.			trans	-90.1	109.3	171.2	48.4	0	0	0	0	108.4	P705	T703-P705 VanDerWaalsContact O-CD 3.29Å; T703-P705 WeakPolarHBondContact O-CD 3.44Å
704	L	34.1	Very low	32.8	Very low	141 Å²	141	97.2 Å²	97.2	74%	0.738	53%	0.534	S	S	*	.			trans	-85.9	114.1	160.1	-75.4	94.6	0	0	0	108.1
705	P	33.4	Very low	32.9	Very low	81 Å²	81	94 Å²	94	53%	0.526	52%	0.517	S	S	.	.			trans	-71.9	150.8	148.4	33.5	-31.6	0	0	0	108.8	T703	T703-P705 VanDerWaalsContact O-CD 3.29Å; T703-P705 WeakPolarHBondContact O-CD 3.44Å
706	D	30.4	Very low	32.9	Very low	132 Å²	132	91.2 Å²	91.2	71%	0.706	50%	0.503	S	S	*	.			trans	-55.1	146.3	-158.8	-56.4	-78.8	0	0	0	116.6	T679	T679-D706 WeakPolarHBondContact CG2-O 3.19Å
707	L	32.2	Very low	33.5	Very low	77 Å²	77	90.2 Å²	90.2	40%	0.403	49%	0.49	S	S	.	.			trans	-104.5	85.5	170.6	176.5	68.5	0	0	0	109.2	T679 V709 L1925	T679-L707 HydrophobicContact CG2-CB 4.17Å; T679-L707 HydrophobicContact CG2-CD1 3.74Å; L707-V709 HydrophobicContact CD1-CG2 3.96Å; L707-V709 HydrophobicContact CG-CG2 4.11Å; L707-L1925 HydrophobicContact CD2-CD2 4.24Å
708	C	29.1	Very low	33.7	Very low	63 Å²	63	91.1 Å²	91.1	43%	0.426	49%	0.494	S	S	.	.			trans	-100.9	108.7	175.8	-157.6	0	0	0	0	111.3	N710	C708-N710 PolarHBondContact O-N 3.1Å; C708-N710 PolarHBondContact SG-ND2 2.83Å; C708-N710 VanDerWaalsContact SG-ND2 3.36Å
709	V	31.9	Very low	34.1	Very low	67 Å²	67	90.4 Å²	90.4	41%	0.406	49%	0.488	S	S	.	.			trans	-99.8	71.6	-175.7	-170.9	0	0	0	0	111.4	L676 L707 I711	L676-V709 HydrophobicContact CD2-CB 4.34Å; L676-V709 HydrophobicContact CD2-CG1 3.92Å; L676-V709 HydrophobicContact CD2-CG2 3.9Å; L707-V709 HydrophobicContact CD1-CG2 3.96Å; L707-V709 HydrophobicContact CG-CG2 4.11Å; V709-I711 HydrophobicContact CG1-CD1 4.29Å; V709-I711 HydrophobicContact CG1-CG1 4.39Å; V709-I711 PolarHBondContact O-N 3.05Å
710	N	27.8	Very low	34.4	Very low	138 Å²	138	83.5 Å²	83.5	74%	0.738	47%	0.466	S	S	*	.			trans	-87.9	94.9	176.1	-73.3	-33.8	0	0	0	111.7	C708	C708-N710 PolarHBondContact O-N 3.1Å; C708-N710 PolarHBondContact SG-ND2 2.83Å; C708-N710 VanDerWaalsContact SG-ND2 3.36Å
711	I	36.6	Very low	34.6	Very low	74 Å²	74	87.8 Å²	87.8	38%	0.379	48%	0.482	S	S	.	.			trans	-111.8	116.7	170.4	-60.6	176.2	0	0	0	108.5	L675 V709	L675-I711 HydrophobicContact CD2-CD1 4.29Å; L675-I711 HydrophobicContact CD2-CG1 4.44Å; V709-I711 HydrophobicContact CG1-CD1 4.29Å; V709-I711 HydrophobicContact CG1-CG1 4.39Å; V709-I711 PolarHBondContact O-N 3.05Å
712	S	31.5	Very low	35.1	Very low	62 Å²	62	85 Å²	85	43%	0.434	46%	0.462	S	S	.	.			trans	-83.1	157	177.9	66.4	0	0	0	0	113	V714 Y715 L716	S712-V714 PolarHBondContact O-N 2.88Å; S712-Y715 CarbonylContact O-C 3.57Å; S712-Y715 WeakPolarHBondContact O-CA 3.39Å; S712-Y715 WeakPolarHBondContact O-CB 3.22Å; S712-Y715 PolarHBondContact O-N 2.8Å; S712-L716 PolarHBondContact O-N 2.68Å
713	D	34.1	Very low	35.2	Very low	47 Å²	47	87 Å²	87	25%	0.251	46%	0.463	S	S	.	.	H	α-helix	trans	-62.4	-31.7	-173	-45.4	-73.4	0	0	0	112.9	Y715 L716 L717 A882	D713-Y715 VanDerWaalsContact C-N 3.3Å; D713-Y715 PolarHBondContact O-N 3.36Å; D713-L716 PolarHBondContact O-N 3.01Å; D713-L717 WeakPolarHBondContact O-CB 3.35Å; D713-L717 WeakPolarHBondContact O-CG 3.46Å; D713-L717 PolarHBondContact O-N 3.3Å; D713-A882 HydrophobicContact CB-CB 3.91Å; D713-A882 VanDerWaalsContact OD1-CB 3.24Å; D713-A882 WeakPolarHBondContact OD1-CB 3.26Å
714	V	37.8	Very low	35.3	Very low	94 Å²	94	89 Å²	89	57%	0.57	47%	0.469	S	S	*	.	H	α-helix	trans	-62.9	-37.7	172.9	179.7	0	0	0	0	111.1	S712 K718	S712-V714 PolarHBondContact O-N 2.88Å; V714-K718 VanDerWaalsContact O-CG 3.3Å; V714-K718 WeakPolarHBondContact O-CG 3.34Å; V714-K718 PolarHBondContact O-N 3.2Å; V714-K718 VanDerWaalsContact O-N 3.11Å
715	Y	38.3	Very low	35.5	Very low	120 Å²	120	83.1 Å²	83.1	47%	0.471	44%	0.44	S	S	.	.	H	α-helix	trans	-77.5	-33.7	174.2	-86.2	-95.3	0	0	0	112.3	L675 S712 D713 K718 L719	L675-Y715 HydrophobicContact CD1-CD1 3.69Å; L675-Y715 HydrophobicContact CD1-CE1 4.2Å; L675-Y715 HydrophobicContact CG-CD1 4.35Å; S712-Y715 CarbonylContact O-C 3.57Å; S712-Y715 WeakPolarHBondContact O-CA 3.39Å; S712-Y715 WeakPolarHBondContact O-CB 3.22Å; S712-Y715 PolarHBondContact O-N 2.8Å; D713-Y715 VanDerWaalsContact C-N 3.3Å; D713-Y715 PolarHBondContact O-N 3.36Å; Y715-K718 PolarHBondContact O-N 3.19Å; Y715-L719 WeakPolarHBondContact O-CB 3.17Å; Y715-L719 PolarHBondContact O-N 2.98Å
716	L	36.3	Very low	35.6	Very low	56 Å²	56	82.1 Å²	82.1	29%	0.293	43%	0.429	S	S	.	.	H	α-helix	trans	-62.3	-42	171.9	-166.5	73.3	0	0	0	111.7	S712 D713 L719 L720	S712-L716 PolarHBondContact O-N 2.68Å; D713-L716 PolarHBondContact O-N 3.01Å; L716-L719 WeakPolarHBondContact O-CB 3.46Å; L716-L719 PolarHBondContact O-N 2.82Å; L716-L720 PolarHBondContact O-N 2.84Å
717	L	40.2	Very low	36	Very low	103 Å²	103	78.1 Å²	78.1	54%	0.539	41%	0.411	S	S	.	.	H	α-helix	trans	-69.6	-35.5	175.5	-75.1	167.4	0	0	0	112.6	D713 L720 K721	D713-L717 WeakPolarHBondContact O-CB 3.35Å; D713-L717 WeakPolarHBondContact O-CG 3.46Å; D713-L717 PolarHBondContact O-N 3.3Å; L717-L720 PolarHBondContact O-N 2.86Å; L717-K721 WeakPolarHBondContact O-CG 3.47Å; L717-K721 PolarHBondContact O-N 2.92Å
718	K	39.9	Very low	36.1	Very low	110 Å²	110	80.1 Å²	80.1	48%	0.478	43%	0.426	S	S	.	.	H	α-helix	trans	-62.3	-42.8	168.9	-75.7	172.3	-179.1	-178.8	0	111.3	V714 Y715 L720 K721 L722	V714-K718 VanDerWaalsContact O-CG 3.3Å; V714-K718 WeakPolarHBondContact O-CG 3.34Å; V714-K718 PolarHBondContact O-N 3.2Å; V714-K718 VanDerWaalsContact O-N 3.11Å; Y715-K718 PolarHBondContact O-N 3.19Å; K718-L720 PolarHBondContact O-N 2.88Å; K718-K721 PolarHBondContact O-N 3.46Å; K718-L722 WeakPolarHBondContact O-CB 3.44Å; K718-L722 PolarHBondContact O-N 3.19Å
719	L	39.3	Very low	36.3	Very low	45 Å²	45	80.5 Å²	80.5	24%	0.236	43%	0.428	C	S	.	.	H	α-helix	trans	-61.7	-41.6	176.5	-160.5	83.2	0	0	0	111.9	Y715 L716 L722 L723 F1907	Y715-L719 WeakPolarHBondContact O-CB 3.17Å; Y715-L719 PolarHBondContact O-N 2.98Å; L716-L719 WeakPolarHBondContact O-CB 3.46Å; L716-L719 PolarHBondContact O-N 2.82Å; L719-L722 PolarHBondContact O-N 3.09Å; L719-L723 WeakPolarHBondContact O-CG 2.99Å; L719-L723 PolarHBondContact O-N 3.36Å; L719-F1907 HydrophobicContact CD2-CE1 4.11Å; L719-F1907 HydrophobicContact CD2-CZ 3.85Å
720	L	37.1	Very low	36.4	Very low	57 Å²	57	82.1 Å²	82.1	30%	0.298	44%	0.44	S	S	.	.	H	α-helix	trans	-68.1	-42.7	176.4	-77.9	164.2	0	0	0	112.6	L716 L717 K718 L722 L723 L724	L716-L720 PolarHBondContact O-N 2.84Å; L717-L720 PolarHBondContact O-N 2.86Å; K718-L720 PolarHBondContact O-N 2.88Å; L720-L722 VanDerWaalsContact C-N 3.29Å; L720-L722 PolarHBondContact O-N 3.48Å; L720-L723 PolarHBondContact O-N 2.78Å; L720-L724 WeakPolarHBondContact O-CB 3.34Å; L720-L724 VanDerWaalsContact O-CG 3.31Å; L720-L724 WeakPolarHBondContact O-CG 3.41Å; L720-L724 PolarHBondContact O-N 3.35Å
721	K	39.7	Very low	36.4	Very low	161 Å²	161	81 Å²	81	70%	0.7	44%	0.44	S	S	*	.	H	α-helix	trans	-58	-42.7	172.6	-78.9	-174.6	175.2	-173	0	111.7	L717 K718 L724 S725	L717-K721 WeakPolarHBondContact O-CG 3.47Å; L717-K721 PolarHBondContact O-N 2.92Å; K718-K721 PolarHBondContact O-N 3.46Å; K721-L724 CarbonylContact O-C 3.56Å; K721-L724 PolarHBondContact O-N 3.29Å; K721-S725 PolarHBondContact O-N 2.83Å
722	L	41.4	Very low	36.1	Very low	17 Å²	17	82.1 Å²	82.1	9%	0.089	45%	0.452	C	S	.	.	H	α-helix	trans	-66.9	-40.3	178.5	-169.2	107.1	0	0	0	112.7	I623 I635 K718 L719 L720 L724 S725	I623-L722 HydrophobicContact CB-CD1 4.04Å; I623-L722 HydrophobicContact CB-CD2 3.94Å; I623-L722 HydrophobicContact CB-CG 4.24Å; I623-L722 HydrophobicContact CD1-CD2 3.61Å; I623-L722 HydrophobicContact CG1-CD2 4.36Å; I623-L722 HydrophobicContact CG2-CD1 3.78Å; I623-L722 HydrophobicContact CG2-CD2 3.9Å; I623-L722 HydrophobicContact CG2-CG 3.78Å; I635-L722 HydrophobicContact CD1-CB 4.45Å; I635-L722 HydrophobicContact CD1-CD1 3.77Å; I635-L722 HydrophobicContact CD1-CD2 3.84Å; I635-L722 HydrophobicContact CD1-CG 4.23Å; I635-L722 HydrophobicContact CG1-CD1 4.21Å; K718-L722 WeakPolarHBondContact O-CB 3.44Å; K718-L722 PolarHBondContact O-N 3.19Å; L719-L722 PolarHBondContact O-N 3.09Å; L720-L722 VanDerWaalsContact C-N 3.29Å; L720-L722 PolarHBondContact O-N 3.48Å; L722-L724 PolarHBondContact O-N 2.99Å; L722-S725 PolarHBondContact O-N 3.4Å; L722-S725 PolarHBondContact O-OG 2.87Å
723	L	37.3	Very low	35.9	Very low	79 Å²	79	88.6 Å²	88.6	41%	0.414	48%	0.475	S	S	.	.	H	α-helix	trans	-62.9	-31.6	173.2	-79.8	164	0	0	0	112.4	L719 L720	L719-L723 WeakPolarHBondContact O-CG 2.99Å; L719-L723 PolarHBondContact O-N 3.36Å; L720-L723 PolarHBondContact O-N 2.78Å
724	L	34.1	Very low	35.6	Very low	146 Å²	146	91.9 Å²	91.9	76%	0.764	50%	0.498	S	S	*	.	H	α-helix	trans	-86.5	-14.2	178.1	-67.1	166.6	0	0	0	113.7	L720 K721 L722	L720-L724 WeakPolarHBondContact O-CB 3.34Å; L720-L724 VanDerWaalsContact O-CG 3.31Å; L720-L724 WeakPolarHBondContact O-CG 3.41Å; L720-L724 PolarHBondContact O-N 3.35Å; K721-L724 CarbonylContact O-C 3.56Å; K721-L724 PolarHBondContact O-N 3.29Å; L722-L724 PolarHBondContact O-N 2.99Å
725	S	36.9	Very low	35	Very low	16 Å²	16	93 Å²	93	11%	0.112	51%	0.505	C	S	.	.	S	Bend	trans	-90.8	-1.5	176.6	71	0	0	0	0	114.3	D625 Y626 K721 L722 P727	D625-S725 PolarHBondContact OD1-OG 3.15Å; Y626-S725 WeakPolarHBondContact CA-O 3.24Å; K721-S725 PolarHBondContact O-N 2.83Å; L722-S725 PolarHBondContact O-N 3.4Å; L722-S725 PolarHBondContact O-OG 2.87Å; S725-P727 WeakPolarHBondContact O-CD 3.4Å
726	I	36.3	Very low	34.4	Very low	60 Å²	60	94.2 Å²	94.2	31%	0.308	51%	0.512	S	S	.	.	S	Bend	trans	-72.4	113.5	172.4	-65.9	169.2	0	0	0	109.7	Y558 T728	Y558-I726 HydrophobicContact CE1-CG2 4.26Å; Y558-I726 HydrophobicContact CE2-CG2 4.28Å; I726-T728 PolarHBondContact O-N 3.46Å; I726-T728 VanDerWaalsContact O-N 3.13Å
727	P	38.9	Very low	34	Very low	49 Å²	49	96.6 Å²	96.6	32%	0.318	52%	0.521	S	S	.	.			trans	-68.3	114	-180	-23	37.5	0	0	0	111.6	Y558 A560 Y626 S725	Y558-P727 WeakPolarHBondContact OH-CD 3.18Å; Y558-P727 PolarHBondContact OH-O 3.08Å; A560-P727 HydrophobicContact CB-CB 4.43Å; A560-P727 HydrophobicContact CB-CG 3.8Å; Y626-P727 WeakPolarHBondContact O-CG 3.27Å; S725-P727 WeakPolarHBondContact O-CD 3.4Å
728	T	34.4	Very low	33.4	Very low	118 Å²	118	97.1 Å²	97.1	72%	0.724	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-69.2	141.5	174.6	53.9	0	0	0	0	110.6	I726	I726-T728 PolarHBondContact O-N 3.46Å; I726-T728 VanDerWaalsContact O-N 3.13Å
729	P	32.8	Very low	32.7	Very low	72 Å²	72	98.4 Å²	98.4	47%	0.468	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-63.4	131.3	179.3	25.4	-33.7	0	0	0	110.1
730	P	34.7	Very low	31.9	Very low	100 Å²	100	104.6 Å²	104.6	65%	0.649	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-63.4	138.2	-173.2	23.5	-33.5	0	0	0	111.7
731	P	26.9	Very low	31.5	Very low	114 Å²	114	108.9 Å²	108.9	74%	0.74	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-65.9	143.1	-171.6	25.5	-34.5	0	0	0	112.4	Q733	P731-Q733 PolarHBondContact O-N 2.94Å
732	P	29.3	Very low	30.8	Very low	98 Å²	98	109.6 Å²	109.6	64%	0.636	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-67.6	117.8	-179.4	27.3	-33.9	0	0	0	111.1	T734	P732-T734 PolarHBondContact O-N 2.72Å
733	Q	27.8	Very low	30.1	Very low	198 Å²	198	113.5 Å²	113.5	93%	0.925	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-65.2	128.3	178.3	-63.5	-177.6	0.5	0	0	111	P731	P731-Q733 PolarHBondContact O-N 2.94Å
734	T	28.5	Very low	29.7	Very low	117 Å²	117	111.9 Å²	111.9	72%	0.718	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-101	122.1	171.9	-19.9	0	0	0	0	110.3	P732	P732-T734 PolarHBondContact O-N 2.72Å
735	T	25.7	Very low	29.6	Very low	118 Å²	118	109 Å²	109	72%	0.724	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-67.5	163.7	159.6	52.6	0	0	0	0	109.1
736	K	25.6	Very low	29.4	Very low	144 Å²	144	117.2 Å²	117.2	63%	0.626	64%	0.636	S	S	*	*			cis	-131.7	175.9	22.1	-64.7	-178.5	176.5	-166.4	0	112.7
737	F	26.5	Very low	29.3	Very low	106 Å²	106	117.2 Å²	117.2	47%	0.465	64%	0.637	S	S	.	*			trans	153.3	113.6	139	-88.2	-152.9	0	0	0	105.6	V1161 P1162 K1163	F737-V1161 HydrophobicContact CB-CG1 4.47Å; F737-V1161 HydrophobicContact CD1-CG1 3.78Å; F737-V1161 HydrophobicContact CD2-CG1 3.26Å; F737-V1161 HydrophobicContact CE1-CG1 3.69Å; F737-V1161 HydrophobicContact CE2-CG1 3.2Å; F737-V1161 HydrophobicContact CG-CG1 3.56Å; F737-V1161 HydrophobicContact CZ-CG1 3.41Å; F737-V1161 VanDerWaalsContact CZ-CG1 3.41Å; F737-P1162 HydrophobicContact CB-CB 3.38Å; F737-P1162 VanDerWaalsContact CD1-CA 3.44Å; F737-P1162 HydrophobicContact CD1-CB 4.07Å; F737-P1162 HydrophobicContact CG-CB 3.86Å; F737-K1163 HydrophobicContact CB-CB 3.37Å; F737-K1163 HydrophobicContact CB-CD 3.67Å; F737-K1163 HydrophobicContact CB-CG 3.48Å; F737-K1163 VanDerWaalsContact CB-CG 3.48Å; F737-K1163 HydrophobicContact CG-CB 4.46Å; F737-K1163 WeakPolarHBondContact O-CB 3.46Å; F737-K1163 WeakPolarHBondContact O-CD 3.35Å
738	E	28.6	Very low	28.8	Very low	114 Å²	114	119.9 Å²	119.9	53%	0.533	64%	0.643	S	S	.	*			trans	-97.1	151.3	-174	-54.7	109.7	140.5	0	0	114.9	P1162	E738-P1162 WeakPolarHBondContact O-CB 3.31Å; E738-P1162 WeakPolarHBondContact O-CG 3.22Å
739	L	24.4	Very low	28.8	Very low	137 Å²	137	121.9 Å²	121.9	72%	0.717	65%	0.65	S	S	*	*			trans	-157.4	80.9	146.7	-118.4	175.1	0	0	0	113
740	K	23.9	Very low	29	Very low	176 Å²	176	124.2 Å²	124.2	77%	0.765	65%	0.653	S	S	*	*	S	Bend	trans	72.2	151.8	165.4	-66.5	177.5	177.6	-175.7	0	118.3
741	D	27.8	Very low	29.1	Very low	146 Å²	146	120.9 Å²	120.9	78%	0.781	63%	0.628	S	S	*	*			trans	48.1	64.2	171.2	-55.1	5.7	0	0	0	113.8
742	E	25.9	Very low	29.6	Very low	177 Å²	177	119.5 Å²	119.5	83%	0.827	62%	0.618	S	S	*	*				52	97.2	79.2	-58.8	-164.2	168.9	0	0	113.8
743	T	25.6	Very low	30.1	Very low	98 Å²	98	120.1 Å²	120.1	60%	0.601	61%	0.612	S	S	*	*			trans	168.7	161.9	140.9	33.1	0	0	0	0	111.5	R786	T743-R786 PolarHBondContact O-NH1 3.28Å; T743-R786 PolarHBondContact OG1-NH1 2.95Å
744	N	30.1	Very low	30.6	Very low	45 Å²	45	115.7 Å²	115.7	24%	0.241	59%	0.594	C	S	.	*			trans	56	53.9	163.2	-56.4	18.1	0	0	0	118	D747 F748 Q751 R786	N744-D747 HydrophobicContact CB-CB 3.62Å; N744-F748 WeakPolarHBondContact O-CB 3.13Å; N744-F748 WeakPolarHBondContact O-CD2 3.48Å; N744-F748 PolarHBondContact O-N 3.13Å; N744-Q751 VanDerWaalsContact CB-NE2 3.29Å; N744-Q751 PolarHBondContact ND2-NE2 3.41Å; N744-R786 PolarHBondContact ND2-NE 2.99Å
745	A	30.5	Very low	31	Very low	86 Å²	86	114.3 Å²	114.3	71%	0.711	58%	0.579	S	S	*	*	S	Bend	trans	-80.9	-44.6	159.3	0	0	0	0	0	111.2	F748	A745-F748 WeakPolarHBondContact O-CB 3.4Å; A745-F748 PolarHBondContact O-N 3.12Å; A745-F748 VanDerWaalsContact O-N 3.08Å
746	E	33.9	Very low	31.8	Very low	189 Å²	189	111.8 Å²	111.8	88%	0.883	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-15	174.7	-66.1	-174.3	128.1	0	0	112.9	F748	E746-F748 VanDerWaalsContact C-N 3.34Å
747	D	34.6	Very low	32.5	Very low	60 Å²	60	109.4 Å²	109.4	32%	0.321	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.4	3.1	159	-60.7	-66.4	0	0	0	112.6	N744 K750 Q751	N744-D747 HydrophobicContact CB-CB 3.62Å; D747-K750 HydrophobicContact CB-CD 4.39Å; D747-K750 WeakPolarHBondContact O-CB 3.49Å; D747-K750 PolarHBondContact O-N 3.33Å; D747-K750 WeakPolarHBondContact OD1-CD 3.37Å; D747-K750 VanDerWaalsContact OD1-CE 3.24Å; D747-K750 WeakPolarHBondContact OD1-CE 3.18Å; D747-K750 IonicContact OD1-NZ 2.88Å; D747-K750 PolarHBondContact OD1-NZ 3.43Å; D747-Q751 VanDerWaalsContact C-NE2 3.34Å; D747-Q751 PolarHBondContact O-N 2.9Å; D747-Q751 PolarHBondContact O-NE2 2.68Å
748	F	27.4	Very low	33.2	Very low	104 Å²	104	110.2 Å²	110.2	46%	0.456	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-73	-35.5	174.6	-142.7	-94.8	0	0	0	111.5	N744 A745 E746 K750 Q751	N744-F748 WeakPolarHBondContact O-CB 3.13Å; N744-F748 WeakPolarHBondContact O-CD2 3.48Å; N744-F748 PolarHBondContact O-N 3.13Å; A745-F748 WeakPolarHBondContact O-CB 3.4Å; A745-F748 PolarHBondContact O-N 3.12Å; A745-F748 VanDerWaalsContact O-N 3.08Å; E746-F748 VanDerWaalsContact C-N 3.34Å; F748-K750 PolarHBondContact O-N 3Å; F748-K750 VanDerWaalsContact O-N 3.11Å; F748-Q751 WeakPolarHBondContact O-CB 3.44Å; F748-Q751 PolarHBondContact O-N 3.01Å
749	N	34.4	Very low	33.7	Very low	161 Å²	161	108.1 Å²	108.1	86%	0.861	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-73.9	8.8	168.9	-72.1	3.7	0	0	0	113.4
750	K	37.1	Very low	34.5	Very low	121 Å²	121	104.5 Å²	104.5	53%	0.526	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-108.2	-12.3	163.7	-56.1	-179.5	-169.8	164.1	0	112.9	D747 F748 V752 F784	D747-K750 HydrophobicContact CB-CD 4.39Å; D747-K750 WeakPolarHBondContact O-CB 3.49Å; D747-K750 PolarHBondContact O-N 3.33Å; D747-K750 WeakPolarHBondContact OD1-CD 3.37Å; D747-K750 VanDerWaalsContact OD1-CE 3.24Å; D747-K750 WeakPolarHBondContact OD1-CE 3.18Å; D747-K750 IonicContact OD1-NZ 2.88Å; D747-K750 PolarHBondContact OD1-NZ 3.43Å; F748-K750 PolarHBondContact O-N 3Å; F748-K750 VanDerWaalsContact O-N 3.11Å; K750-V752 PolarHBondContact O-N 3.12Å; K750-F784 VanDerWaalsContact O-CE2 3.25Å; K750-F784 WeakPolarHBondContact O-CE2 3.36Å; K750-F784 WeakPolarHBondContact O-CZ 3.23Å
751	Q	37.7	Very low	35.4	Very low	29 Å²	29	100 Å²	100	14%	0.136	52%	0.517	C	S	.	.	S	Bend	trans	-84	-6	-162.4	-114.5	154.8	108.3	0	0	115.7	N744 D747 F748 F784	N744-Q751 VanDerWaalsContact CB-NE2 3.29Å; N744-Q751 PolarHBondContact ND2-NE2 3.41Å; D747-Q751 VanDerWaalsContact C-NE2 3.34Å; D747-Q751 PolarHBondContact O-N 2.9Å; D747-Q751 PolarHBondContact O-NE2 2.68Å; F748-Q751 WeakPolarHBondContact O-CB 3.44Å; F748-Q751 PolarHBondContact O-N 3.01Å; Q751-F784 HydrophobicContact CB-CD1 4.45Å; Q751-F784 HydrophobicContact CG-CB 4.47Å; Q751-F784 HydrophobicContact CG-CD1 3.68Å; Q751-F784 HydrophobicContact CG-CE1 4.12Å; Q751-F784 HydrophobicContact CG-CG 4.09Å; Q751-F784 WeakPolarHBondContact O-CD2 3.02Å; Q751-F784 WeakPolarHBondContact O-CG 3.43Å
752	V	37.1	Very low	36.5	Very low	85 Å²	85	98.7 Å²	98.7	52%	0.515	51%	0.506	S	S	.	.			trans	-141.8	100.9	165.5	-177.1	0	0	0	0	107.1	K750 I781	K750-V752 PolarHBondContact O-N 3.12Å; V752-I781 HydrophobicContact CG1-CG2 4.35Å
753	Q	38.4	Very low	37.3	Very low	112 Å²	112	96.8 Å²	96.8	52%	0.523	50%	0.499	S	S	.	.			trans	-80.2	127.4	166.5	-69.6	-170	-119.2	0	0	108.3	I781 D782	Q753-I781 WeakPolarHBondContact O-CA 3.42Å; Q753-D782 PolarHBondContact O-N 2.69Å
754	L	38.3	Very low	39	Very low	104 Å²	104	96.7 Å²	96.7	55%	0.545	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	97.5	173.3	-167.3	156	0	0	0	107.2	V756 V779 A780 I781	L754-V756 HydrophobicContact CD2-CG2 3.63Å; L754-V779 HydrophobicContact CD2-CG1 4.35Å; L754-A780 CarbonylContact C-O 3.46Å; L754-A780 WeakPolarHBondContact CA-O 3.12Å; L754-I781 HydrophobicContact CB-CG1 4.4Å; L754-I781 HydrophobicContact CD1-CD1 3.92Å; L754-I781 HydrophobicContact CD1-CG1 4.08Å; L754-I781 HydrophobicContact CG-CD1 4.24Å; L754-I781 HydrophobicContact CG-CG1 3.85Å
755	E	38.5	Very low	40	Very low	88 Å²	88	101.9 Å²	101.9	41%	0.411	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	108.5	-167.1	-166.3	-166.9	-149.4	0	0	110.1	K757 V779 A780	E755-K757 WeakPolarHBondContact OE1-CE 3.4Å; E755-K757 IonicContact OE1-NZ 2.67Å; E755-K757 PolarHBondContact OE1-NZ 3.37Å; E755-K757 WeakPolarHBondContact OE2-CE 3.39Å; E755-K757 IonicContact OE2-NZ 3.6Å; E755-K757 PolarHBondContact OE2-NZ 2.76Å; E755-V779 CarbonylContact O-C 3.58Å; E755-V779 VanDerWaalsContact O-CA 3.26Å; E755-V779 WeakPolarHBondContact O-CA 3.07Å; E755-A780 HydrophobicContact CB-CB 4.48Å; E755-A780 PolarHBondContact N-O 2.88Å; E755-A780 PolarHBondContact O-N 2.92Å
756	V	41.9	Very low	41.1	Very low	65 Å²	65	105.1 Å²	105.1	39%	0.394	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.1	178.1	-176.9	0	0	0	0	109.9	L754 L776 V779	L754-V756 HydrophobicContact CD2-CG2 3.63Å; V756-L776 HydrophobicContact CG1-CD1 3.92Å; V756-V779 HydrophobicContact CG1-CG2 4.37Å; V756-V779 HydrophobicContact CG2-CG1 4.36Å; V756-V779 HydrophobicContact CG2-CG2 4.41Å
757	K	40.9	Very low	42.3	Very low	95 Å²	95	105 Å²	105	41%	0.413	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.4	-178.4	-74.7	163.9	168.9	151.7	0	111.3	E755 K777 T778	E755-K757 WeakPolarHBondContact OE1-CE 3.4Å; E755-K757 IonicContact OE1-NZ 2.67Å; E755-K757 PolarHBondContact OE1-NZ 3.37Å; E755-K757 WeakPolarHBondContact OE2-CE 3.39Å; E755-K757 IonicContact OE2-NZ 3.6Å; E755-K757 PolarHBondContact OE2-NZ 2.76Å; K757-K777 WeakPolarHBondContact O-CB 3.47Å; K757-K777 PolarHBondContact O-N 2.8Å; K757-T778 HydrophobicContact CB-CG2 3.67Å; K757-T778 HydrophobicContact CD-CG2 3.76Å; K757-T778 HydrophobicContact CG-CG2 4.28Å; K757-T778 PolarHBondContact N-O 3.48Å; K757-T778 PolarHBondContact O-N 3.32Å
758	F	40.8	Very low	43.7	Very low	123 Å²	123	107.4 Å²	107.4	54%	0.539	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.7	123.2	162.6	-150.6	-89.5	0	0	0	117.6	L760 L776 K777	F758-L760 HydrophobicContact CE1-CB 4.14Å; F758-L760 HydrophobicContact CE1-CD1 4.31Å; F758-L776 WeakPolarHBondContact O-CA 3.45Å; F758-K777 HydrophobicContact CB-CB 4.08Å; F758-K777 HydrophobicContact CB-CD 4.04Å; F758-K777 HydrophobicContact CB-CG 3.98Å; F758-K777 HydrophobicContact CD1-CD 3.95Å; F758-K777 HydrophobicContact CD1-CG 4.09Å; F758-K777 HydrophobicContact CG-CD 4.15Å; F758-K777 HydrophobicContact CG-CG 4.39Å; F758-K777 PolarHBondContact O-N 2.96Å
759	V	39.4	Very low	45.7	Very low	69 Å²	69	104.6 Å²	104.6	42%	0.418	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138	168.7	-178	0	0	0	0	108.9	I775 L776	V759-I775 CarbonylContact C-O 3.55Å; V759-I775 VanDerWaalsContact CA-O 3.28Å; V759-I775 WeakPolarHBondContact CA-O 3.07Å; V759-L776 HydrophobicContact CG2-CD1 3.63Å
760	L	40.6	Very low	47.2	Very low	61 Å²	61	97.9 Å²	97.9	32%	0.319	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127	178.1	-175.3	77	0	0	0	110.2	F758 Q762 V774 I775	F758-L760 HydrophobicContact CE1-CB 4.14Å; F758-L760 HydrophobicContact CE1-CD1 4.31Å; L760-Q762 HydrophobicContact CD2-CG 4.42Å; L760-Q762 HydrophobicContact CG-CG 4.44Å; L760-V774 CarbonylContact O-C 3.55Å; L760-V774 VanDerWaalsContact O-CA 3.29Å; L760-V774 WeakPolarHBondContact O-CA 3.43Å; L760-I775 HydrophobicContact CB-CB 4.24Å; L760-I775 HydrophobicContact CD2-CD1 4.11Å; L760-I775 PolarHBondContact N-O 2.96Å; L760-I775 PolarHBondContact O-N 3.04Å
761	N	42.5	Very low	48.3	Very low	83 Å²	83	93.3 Å²	93.3	44%	0.444	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.8	168.6	-72.8	-1.3	0	0	0	110	T773	N761-T773 CarbonylContact C-O 3.57Å; N761-T773 WeakPolarHBondContact CA-O 3.3Å
762	Q	51.4	Low	49.3	Very low	118 Å²	118	94.3 Å²	94.3	55%	0.551	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.1	172.8	-65.4	-175.6	-12.6	0	0	109.6	L760 T772 T773	L760-Q762 HydrophobicContact CD2-CG 4.42Å; L760-Q762 HydrophobicContact CG-CG 4.44Å; Q762-T772 CarbonylContact O-C 3.44Å; Q762-T772 WeakPolarHBondContact O-CA 3.38Å; Q762-T773 PolarHBondContact N-O 3.06Å; Q762-T773 PolarHBondContact O-N 3.22Å
763	M	43	Very low	50.8	Low	137 Å²	137	91.1 Å²	91.1	68%	0.675	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	133	174.6	-168.4	177.7	-175.2	0	0	108.9	T770 S771	M763-T770 HydrophobicContact CE-CG2 3.63Å; M763-S771 CarbonylContact C-O 3.59Å; M763-S771 WeakPolarHBondContact CA-O 3.47Å
764	L	60.9	Low	51.7	Low	96 Å²	96	87.4 Å²	87.4	50%	0.503	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	101.4	-168.4	-158.4	165	0	0	0	109.1	R766 S771	L764-R766 HydrophobicContact CD2-CG 3.97Å; L764-S771 PolarHBondContact N-O 2.96Å; L764-S771 PolarHBondContact O-N 2.86Å
765	Q	50.3	Low	52.8	Low	154 Å²	154	83 Å²	83	72%	0.72	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.4	-176	-164.5	168.7	21.9	0	0	110.4	T770	Q765-T770 HydrophobicContact CB-CG2 4.47Å; Q765-T770 HydrophobicContact CG-CG2 4.26Å
766	R	54.2	Low	53.6	Low	153 Å²	153	80.3 Å²	80.3	58%	0.577	40%	0.396	S	S	*	.			trans	-118.6	175.2	174.6	-68.9	168.6	169.2	-177.8	-2.5	108.7	L764 D768 E769	L764-R766 HydrophobicContact CD2-CG 3.97Å; R766-D768 VanDerWaalsContact C-N 3.34Å; R766-D768 PolarHBondContact O-N 2.75Å; R766-E769 CarbonylContact C-O 3.49Å; R766-E769 WeakPolarHBondContact CA-O 3.32Å; R766-E769 HydrophobicContact CB-CG 3.91Å; R766-E769 WeakPolarHBondContact CB-O 3.44Å; R766-E769 WeakPolarHBondContact CD-OE1 3.37Å; R766-E769 HydrophobicContact CG-CG 4.42Å; R766-E769 IonicContact CZ-OE1 3.18Å; R766-E769 PolarHBondContact N-O 2.7Å; R766-E769 IonicContact NE-OE1 2.74Å; R766-E769 IonicContact NH1-OE1 2.74Å; R766-E769 PolarHBondContact NH1-OE1 2.96Å
767	K	58.5	Low	54.6	Low	188 Å²	188	81.3 Å²	81.3	82%	0.817	40%	0.395	S	S	*	.	S	Bend	trans	-62	-42	-178.2	-166.6	-167.9	175	-155.5	0	112.3
768	D	63.8	Low	55.6	Low	110 Å²	110	78.6 Å²	78.6	59%	0.588	39%	0.386	S	S	*	.	S	Bend	trans	-109.5	-11.9	-168.5	-38.9	-52.9	0	0	0	112.4	R766 T816	R766-D768 VanDerWaalsContact C-N 3.34Å; R766-D768 PolarHBondContact O-N 2.75Å; D768-T816 PolarHBondContact O-N 3.46Å
769	E	68.9	Low	56.4	Low	44 Å²	44	73.6 Å²	73.6	21%	0.206	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	151.9	-177.9	65.7	-179	177.6	0	0	112.9	R766 I813 Q814 Y815	R766-E769 CarbonylContact C-O 3.49Å; R766-E769 WeakPolarHBondContact CA-O 3.32Å; R766-E769 HydrophobicContact CB-CG 3.91Å; R766-E769 WeakPolarHBondContact CB-O 3.44Å; R766-E769 WeakPolarHBondContact CD-OE1 3.37Å; R766-E769 HydrophobicContact CG-CG 4.42Å; R766-E769 IonicContact CZ-OE1 3.18Å; R766-E769 PolarHBondContact N-O 2.7Å; R766-E769 IonicContact NE-OE1 2.74Å; R766-E769 IonicContact NH1-OE1 2.74Å; R766-E769 PolarHBondContact NH1-OE1 2.96Å; E769-I813 HydrophobicContact CB-CG2 4.07Å; E769-Q814 CarbonylContact C-O 3.56Å; E769-Q814 VanDerWaalsContact CA-O 3.27Å; E769-Q814 WeakPolarHBondContact CA-O 3.42Å; E769-Y815 HydrophobicContact CB-CD1 3.89Å; E769-Y815 HydrophobicContact CB-CE1 3.94Å
770	T	66	Low	57.2	Low	21 Å²	21	70.7 Å²	70.7	13%	0.129	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.2	174.4	-59.1	0	0	0	0	109.9	M763 Q765 I813 Q814	M763-T770 HydrophobicContact CE-CG2 3.63Å; Q765-T770 HydrophobicContact CB-CG2 4.47Å; Q765-T770 HydrophobicContact CG-CG2 4.26Å; T770-I813 CarbonylContact O-C 3.56Å; T770-I813 WeakPolarHBondContact O-CA 3.46Å; T770-Q814 PolarHBondContact N-O 2.89Å; T770-Q814 PolarHBondContact O-N 3.15Å
771	S	62	Low	58.1	Low	24 Å²	24	68.7 Å²	68.7	17%	0.168	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	145.6	-179.5	-172.4	0	0	0	0	112.5	M763 L764 C812	M763-S771 CarbonylContact C-O 3.59Å; M763-S771 WeakPolarHBondContact CA-O 3.47Å; L764-S771 PolarHBondContact N-O 2.96Å; L764-S771 PolarHBondContact O-N 2.86Å; S771-C812 CarbonylContact C-O 2.99Å; S771-C812 VanDerWaalsContact CA-O 3.25Å; S771-C812 WeakPolarHBondContact CA-O 3.44Å
772	T	57.9	Low	58.9	Low	50 Å²	50	66.7 Å²	66.7	31%	0.307	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	119.7	177.3	-50.7	0	0	0	0	110.4	Q762 E811 C812	Q762-T772 CarbonylContact O-C 3.44Å; Q762-T772 WeakPolarHBondContact O-CA 3.38Å; T772-E811 CarbonylContact O-C 3.14Å; T772-E811 VanDerWaalsContact O-CA 3.31Å; T772-E811 WeakPolarHBondContact O-CA 3.48Å; T772-C812 PolarHBondContact N-O 3.29Å; T772-C812 PolarHBondContact O-N 2.92Å
773	T	67.7	Low	59.1	Low	18 Å²	18	64.3 Å²	64.3	11%	0.11	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.8	-177.8	-61.9	0	0	0	0	111.7	N761 Q762 I775 L810 E811	N761-T773 CarbonylContact C-O 3.57Å; N761-T773 WeakPolarHBondContact CA-O 3.3Å; Q762-T773 PolarHBondContact N-O 3.06Å; Q762-T773 PolarHBondContact O-N 3.22Å; T773-I775 HydrophobicContact CG2-CD1 4.32Å; T773-I775 HydrophobicContact CG2-CG1 4.06Å; T773-L810 CarbonylContact C-O 3.57Å; T773-L810 WeakPolarHBondContact CA-O 3.46Å; T773-E811 HydrophobicContact CG2-CG 4Å
774	V	59.2	Low	59.4	Low	34 Å²	34	61.2 Å²	61.2	21%	0.206	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135	178.6	178.9	0	0	0	0	108.5	L760 F808 R809 L810	L760-V774 CarbonylContact O-C 3.55Å; L760-V774 VanDerWaalsContact O-CA 3.29Å; L760-V774 WeakPolarHBondContact O-CA 3.43Å; V774-F808 HydrophobicContact CG1-CE1 4.08Å; V774-R809 CarbonylContact O-C 3.47Å; V774-R809 WeakPolarHBondContact O-CA 3.22Å; V774-L810 HydrophobicContact CB-CB 4.3Å; V774-L810 HydrophobicContact CG2-CD2 4.41Å; V774-L810 PolarHBondContact N-O 3.12Å; V774-L810 PolarHBondContact O-N 3.22Å
775	I	60.8	Low	58.9	Low	11 Å²	11	61.5 Å²	61.5	6%	0.056	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	140.1	178.4	-44.9	-176	0	0	0	110.8	V759 L760 T773 E806 F808 R809	V759-I775 CarbonylContact C-O 3.55Å; V759-I775 VanDerWaalsContact CA-O 3.28Å; V759-I775 WeakPolarHBondContact CA-O 3.07Å; L760-I775 HydrophobicContact CB-CB 4.24Å; L760-I775 HydrophobicContact CD2-CD1 4.11Å; L760-I775 PolarHBondContact N-O 2.96Å; L760-I775 PolarHBondContact O-N 3.04Å; T773-I775 HydrophobicContact CG2-CD1 4.32Å; T773-I775 HydrophobicContact CG2-CG1 4.06Å; I775-E806 HydrophobicContact CG2-CB 4.04Å; I775-E806 HydrophobicContact CG2-CG 3.69Å; I775-F808 CarbonylContact C-O 3.48Å; I775-F808 VanDerWaalsContact CA-O 3.25Å; I775-F808 WeakPolarHBondContact CA-O 3.48Å; I775-F808 WeakPolarHBondContact CG2-O 3.24Å; I775-R809 HydrophobicContact CG1-CB 4.46Å; I775-R809 HydrophobicContact CG1-CG 4.26Å
776	L	55.4	Low	58.3	Low	32 Å²	32	59.5 Å²	59.5	17%	0.168	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.8	170.9	176.6	73.2	0	0	0	108.7	V756 F758 V759 V779 E806 M807 F808	V756-L776 HydrophobicContact CG1-CD1 3.92Å; F758-L776 WeakPolarHBondContact O-CA 3.45Å; V759-L776 HydrophobicContact CG2-CD1 3.63Å; L776-V779 HydrophobicContact CD2-CG2 4.25Å; L776-E806 CarbonylContact O-C 3.52Å; L776-M807 HydrophobicContact CD2-CB 4.36Å; L776-M807 HydrophobicContact CD2-CE 4.11Å; L776-M807 HydrophobicContact CD2-CG 4.23Å; L776-M807 HydrophobicContact CD2-SD 3.7Å; L776-M807 HydrophobicContact CG-CB 4.32Å; L776-M807 PolarHBondContact O-N 2.97Å; L776-F808 HydrophobicContact CB-CB 4.21Å; L776-F808 PolarHBondContact N-O 2.9Å; L776-F808 PolarHBondContact O-N 2.8Å; L776-F808 VanDerWaalsContact O-N 3.16Å
777	K	62.7	Low	57.8	Low	86 Å²	86	54.8 Å²	54.8	37%	0.374	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-61.7	-173	-65.8	-162.5	173.4	-163.3	0	116	K757 F758 E805 M807	K757-K777 WeakPolarHBondContact O-CB 3.47Å; K757-K777 PolarHBondContact O-N 2.8Å; F758-K777 HydrophobicContact CB-CB 4.08Å; F758-K777 HydrophobicContact CB-CD 4.04Å; F758-K777 HydrophobicContact CB-CG 3.98Å; F758-K777 HydrophobicContact CD1-CD 3.95Å; F758-K777 HydrophobicContact CD1-CG 4.09Å; F758-K777 HydrophobicContact CG-CD 4.15Å; F758-K777 HydrophobicContact CG-CG 4.39Å; F758-K777 PolarHBondContact O-N 2.96Å; K777-E805 WeakPolarHBondContact CA-O 3.48Å; K777-E805 VanDerWaalsContact CB-O 3.31Å; K777-E805 WeakPolarHBondContact CB-O 3.47Å; K777-E805 WeakPolarHBondContact CG-O 3.41Å; K777-M807 WeakPolarHBondContact O-CB 3.44Å; K777-M807 PolarHBondContact O-N 3.27Å
778	T	62.1	Low	56.9	Low	38 Å²	38	50.9 Å²	50.9	23%	0.233	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	157.1	-178.6	179.5	0	0	0	0	113.7	K757	K757-T778 HydrophobicContact CB-CG2 3.67Å; K757-T778 HydrophobicContact CD-CG2 3.76Å; K757-T778 HydrophobicContact CG-CG2 4.28Å; K757-T778 PolarHBondContact N-O 3.48Å; K757-T778 PolarHBondContact O-N 3.32Å
779	V	57.9	Low	55.7	Low	19 Å²	19	54.8 Å²	54.8	12%	0.115	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	130.4	-178.4	-177.6	0	0	0	0	109.8	L754 E755 V756 L776 L800 V802 M807	L754-V779 HydrophobicContact CD2-CG1 4.35Å; E755-V779 CarbonylContact O-C 3.58Å; E755-V779 VanDerWaalsContact O-CA 3.26Å; E755-V779 WeakPolarHBondContact O-CA 3.07Å; V756-V779 HydrophobicContact CG1-CG2 4.37Å; V756-V779 HydrophobicContact CG2-CG1 4.36Å; V756-V779 HydrophobicContact CG2-CG2 4.41Å; L776-V779 HydrophobicContact CD2-CG2 4.25Å; V779-L800 HydrophobicContact CG1-CD2 4Å; V779-V802 HydrophobicContact CB-CG2 4.4Å; V779-M807 HydrophobicContact CG2-CE 4.29Å; V779-M807 HydrophobicContact CG2-CG 4.48Å
780	A	54.6	Low	54.2	Low	8 Å²	8	59.8 Å²	59.8	7%	0.066	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156.1	176.6	0	0	0	0	0	113.7	L754 E755 L800	L754-A780 CarbonylContact C-O 3.46Å; L754-A780 WeakPolarHBondContact CA-O 3.12Å; E755-A780 HydrophobicContact CB-CB 4.48Å; E755-A780 PolarHBondContact N-O 2.88Å; E755-A780 PolarHBondContact O-N 2.92Å; A780-L800 CarbonylContact C-O 3.57Å; A780-L800 WeakPolarHBondContact CA-O 3.2Å
781	I	61.3	Low	52.8	Low	18 Å²	18	68.3 Å²	68.3	9%	0.092	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	136	176.4	-60.7	174.2	0	0	0	109.9	V752 Q753 L754 Q798 I799 L800 W849	V752-I781 HydrophobicContact CG1-CG2 4.35Å; Q753-I781 WeakPolarHBondContact O-CA 3.42Å; L754-I781 HydrophobicContact CB-CG1 4.4Å; L754-I781 HydrophobicContact CD1-CD1 3.92Å; L754-I781 HydrophobicContact CD1-CG1 4.08Å; L754-I781 HydrophobicContact CG-CD1 4.24Å; L754-I781 HydrophobicContact CG-CG1 3.85Å; I781-Q798 CarbonylContact O-C 3.51Å; I781-Q798 WeakPolarHBondContact O-CA 3.39Å; I781-I799 HydrophobicContact CB-CB 4.42Å; I781-I799 HydrophobicContact CG2-CB 4.2Å; I781-I799 PolarHBondContact O-N 3.43Å; I781-L800 HydrophobicContact CB-CB 3.8Å; I781-L800 HydrophobicContact CD1-CB 3.85Å; I781-L800 HydrophobicContact CD1-CD2 3.73Å; I781-L800 HydrophobicContact CD1-CG 4.46Å; I781-L800 HydrophobicContact CG1-CB 3.8Å; I781-L800 HydrophobicContact CG1-CD2 4.09Å; I781-L800 PolarHBondContact N-O 3.42Å; I781-L800 PolarHBondContact O-N 3.26Å; I781-W849 HydrophobicContact CG2-CZ2 4.25Å
782	D	58.7	Low	51.6	Low	42 Å²	42	77 Å²	77	23%	0.225	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	159.2	-178	-64.9	-50.8	0	0	0	115.2	Q753 A797 Q798 I799	Q753-D782 PolarHBondContact O-N 2.69Å; D782-A797 CarbonylContact C-O 3.58Å; D782-A797 WeakPolarHBondContact CA-O 3.26Å; D782-Q798 VanDerWaalsContact OD1-CG 3.31Å; D782-Q798 WeakPolarHBondContact OD1-CG 3.33Å; D782-I799 WeakPolarHBondContact O-CD1 3.48Å
783	Y	55.2	Low	50.8	Low	67 Å²	67	78.7 Å²	78.7	26%	0.263	37%	0.372	S	S	.	.			trans	-99.7	140	178.4	-173.9	-90	0	0	0	113.3	F796 A797 I799 L846 W849	Y783-F796 VanDerWaalsContact CB-O 3.29Å; Y783-F796 WeakPolarHBondContact CB-O 3.33Å; Y783-A797 PolarHBondContact N-O 3.26Å; Y783-I799 HydrophobicContact CD2-CD1 3.83Å; Y783-I799 HydrophobicContact CD2-CG1 4.25Å; Y783-I799 HydrophobicContact CG-CD1 4.36Å; Y783-L846 HydrophobicContact CD2-CD1 3.87Å; Y783-L846 HydrophobicContact CE2-CD1 3.59Å; Y783-W849 HydrophobicContact CE2-CB 4.47Å
784	F	50.1	Low	49.7	Very low	73 Å²	73	88.9 Å²	88.9	32%	0.32	41%	0.409	S	S	.	.			trans	-126.4	134.2	-171.7	-100.5	-92.9	0	0	0	115.1	K750 Q751	K750-F784 VanDerWaalsContact O-CE2 3.25Å; K750-F784 WeakPolarHBondContact O-CE2 3.36Å; K750-F784 WeakPolarHBondContact O-CZ 3.23Å; Q751-F784 HydrophobicContact CB-CD1 4.45Å; Q751-F784 HydrophobicContact CG-CB 4.47Å; Q751-F784 HydrophobicContact CG-CD1 3.68Å; Q751-F784 HydrophobicContact CG-CE1 4.12Å; Q751-F784 HydrophobicContact CG-CG 4.09Å; Q751-F784 WeakPolarHBondContact O-CD2 3.02Å; Q751-F784 WeakPolarHBondContact O-CG 3.43Å
785	D	50.7	Low	49.3	Very low	102 Å²	102	91.7 Å²	91.7	55%	0.545	43%	0.426	S	S	.	.			trans	-139.9	154.9	167.5	-173.2	10.4	0	0	0	109.3	D787	D785-D787 PolarHBondContact OD1-N 3.07Å
786	R	37.3	Very low	49.1	Very low	111 Å²	111	92.3 Å²	92.3	42%	0.419	43%	0.428	S	S	.	.			trans	-111.7	-26	-174.9	-61.8	-170.9	-169.3	-175.6	5	115	T743 N744 S788	T743-R786 PolarHBondContact O-NH1 3.28Å; T743-R786 PolarHBondContact OG1-NH1 2.95Å; N744-R786 PolarHBondContact ND2-NE 2.99Å; R786-S788 PolarHBondContact O-N 3.21Å
787	D	42.9	Very low	49.1	Very low	55 Å²	55	93.9 Å²	93.9	29%	0.294	45%	0.446	S	S	.	.			trans	-79.3	109.2	-168.3	-170.4	-17.3	0	0	0	111.9	D785 R789 Y790	D785-D787 PolarHBondContact OD1-N 3.07Å; D787-R789 PolarHBondContact O-N 3.34Å; D787-R789 IonicContact OD1-CZ 3.23Å; D787-R789 PolarHBondContact OD1-N 2.85Å; D787-R789 IonicContact OD1-NE 2.71Å; D787-R789 PolarHBondContact OD1-NE 3.27Å; D787-R789 IonicContact OD1-NH2 3.65Å; D787-R789 IonicContact OD2-CZ 3.4Å; D787-R789 IonicContact OD2-NE 3.44Å; D787-R789 PolarHBondContact OD2-NE 3.49Å; D787-R789 IonicContact OD2-NH2 2.66Å; D787-R789 PolarHBondContact OD2-NH2 2.86Å; D787-Y790 HydrophobicContact CB-CD2 3.93Å; D787-Y790 HydrophobicContact CB-CE2 4.14Å; D787-Y790 PolarHBondContact O-N 3.02Å; D787-Y790 VanDerWaalsContact O-N 3.15Å
788	S	39.3	Very low	49.1	Very low	105 Å²	105	93.6 Å²	93.6	73%	0.734	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-6.5	-173.6	65.3	0	0	0	0	116.3	R786	R786-S788 PolarHBondContact O-N 3.21Å
789	R	38.8	Very low	49.4	Very low	193 Å²	193	91.9 Å²	91.9	73%	0.728	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-20.3	176.9	-68.4	174.2	-73.9	-168.9	3	114	D787 K791	D787-R789 PolarHBondContact O-N 3.34Å; D787-R789 IonicContact OD1-CZ 3.23Å; D787-R789 PolarHBondContact OD1-N 2.85Å; D787-R789 IonicContact OD1-NE 2.71Å; D787-R789 PolarHBondContact OD1-NE 3.27Å; D787-R789 IonicContact OD1-NH2 3.65Å; D787-R789 IonicContact OD2-CZ 3.4Å; D787-R789 IonicContact OD2-NE 3.44Å; D787-R789 PolarHBondContact OD2-NE 3.49Å; D787-R789 IonicContact OD2-NH2 2.66Å; D787-R789 PolarHBondContact OD2-NH2 2.86Å; R789-K791 PolarHBondContact O-N 3.21Å
790	Y	37.7	Very low	49.8	Very low	149 Å²	149	92.7 Å²	92.7	58%	0.584	44%	0.439	S	S	*	.			trans	-94.5	39.3	-170.3	-65.4	-82.2	0	0	0	115.6	D787 K792	D787-Y790 HydrophobicContact CB-CD2 3.93Å; D787-Y790 HydrophobicContact CB-CE2 4.14Å; D787-Y790 PolarHBondContact O-N 3.02Å; D787-Y790 VanDerWaalsContact O-N 3.15Å; Y790-K792 PolarHBondContact O-N 2.79Å
791	K	37	Very low	50.5	Low	199 Å²	199	93.7 Å²	93.7	87%	0.865	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	10.5	-177.7	-98.2	-177.9	178.4	176	0	117.7	R789	R789-K791 PolarHBondContact O-N 3.21Å
792	K	36.7	Very low	50.7	Low	206 Å²	206	93.3 Å²	93.3	90%	0.896	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-11.2	-175.3	-93.3	-172.9	173.4	-175.3	0	116	Y790	Y790-K792 PolarHBondContact O-N 2.79Å
793	V	41.4	Very low	50.8	Low	86 Å²	86	95.7 Å²	95.7	52%	0.521	45%	0.453	S	S	.	.			trans	-95.3	109.2	-179.8	-171.8	0	0	0	0	109.4
794	R	44.3	Very low	51.2	Low	233 Å²	233	94.5 Å²	94.5	88%	0.879	46%	0.46	S	S	*	.			trans	-125.8	2.3	-176.8	-98.4	-171.2	172.6	-164.1	-3.5	114.7
795	T	50.3	Low	51.9	Low	92 Å²	92	98.7 Å²	98.7	56%	0.564	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-24.3	-163	-27.2	0	0	0	0	114.8	T914	T795-T914 HydrophobicContact CG2-CG2 4.33Å
796	F	56.6	Low	52.7	Low	24 Å²	24	96.9 Å²	96.9	11%	0.105	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	54.9	-170.7	-56	-55.6	0	0	0	112.3	Y783 I844 P908 S913	Y783-F796 VanDerWaalsContact CB-O 3.29Å; Y783-F796 WeakPolarHBondContact CB-O 3.33Å; F796-I844 HydrophobicContact CB-CD1 4.38Å; F796-I844 HydrophobicContact CD1-CD1 3.81Å; F796-I844 HydrophobicContact CD1-CG2 4.49Å; F796-P908 HydrophobicContact CE2-CB 4.11Å; F796-P908 HydrophobicContact CZ-CB 3.94Å; F796-S913 WeakPolarHBondContact CE2-O 3.26Å; F796-S913 WeakPolarHBondContact CZ-O 3.37Å
797	A	55.7	Low	54.3	Low	65 Å²	65	93.2 Å²	93.2	54%	0.537	46%	0.457	S	S	.	.			trans	-66.5	-36.4	-178.4	0	0	0	0	0	113.4	D782 Y783	D782-A797 CarbonylContact C-O 3.58Å; D782-A797 WeakPolarHBondContact CA-O 3.26Å; Y783-A797 PolarHBondContact N-O 3.26Å
798	Q	62.6	Low	55.5	Low	80 Å²	80	93.2 Å²	93.2	37%	0.374	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.1	-177.9	-76	171.6	-28.4	0	0	111.1	I781 D782 I844	I781-Q798 CarbonylContact O-C 3.51Å; I781-Q798 WeakPolarHBondContact O-CA 3.39Å; D782-Q798 VanDerWaalsContact OD1-CG 3.31Å; D782-Q798 WeakPolarHBondContact OD1-CG 3.33Å; Q798-I844 WeakPolarHBondContact O-CD1 3.28Å
799	I	68.4	Low	57.1	Low	3 Å²	3	91.6 Å²	91.6	2%	0.015	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-32.7	179.6	-56	-178.9	0	0	0	111.1	I781 D782 Y783 F843 I844 W849	I781-I799 HydrophobicContact CB-CB 4.42Å; I781-I799 HydrophobicContact CG2-CB 4.2Å; I781-I799 PolarHBondContact O-N 3.43Å; D782-I799 WeakPolarHBondContact O-CD1 3.48Å; Y783-I799 HydrophobicContact CD2-CD1 3.83Å; Y783-I799 HydrophobicContact CD2-CG1 4.25Å; Y783-I799 HydrophobicContact CG-CD1 4.36Å; I799-F843 HydrophobicContact CG2-CD2 4.4Å; I799-F843 HydrophobicContact CG2-CE2 3.97Å; I799-F843 CarbonylContact O-C 3.48Å; I799-F843 VanDerWaalsContact O-CA 3.26Å; I799-F843 WeakPolarHBondContact O-CA 3.43Å; I799-F843 WeakPolarHBondContact O-CD2 3.46Å; I799-I844 WeakPolarHBondContact CG2-O 3.48Å; I799-I844 PolarHBondContact O-N 2.95Å; I799-W849 HydrophobicContact CD1-CB 4.46Å; I799-W849 HydrophobicContact CD1-CD2 3.79Å; I799-W849 HydrophobicContact CD1-CG 3.62Å; I799-W849 HydrophobicContact CD1-CZ2 4.31Å; I799-W849 HydrophobicContact CG2-CD2 4.15Å; I799-W849 HydrophobicContact CG2-CE3 4.16Å; I799-W849 HydrophobicContact CG2-CH2 4.05Å; I799-W849 HydrophobicContact CG2-CZ2 4.05Å; I799-W849 HydrophobicContact CG2-CZ3 4.12Å
800	L	66.6	Low	58.8	Low	35 Å²	35	84.7 Å²	84.7	18%	0.183	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.4	172	-176	67.5	0	0	0	109.2	V779 A780 I781 R842 F843	V779-L800 HydrophobicContact CG1-CD2 4Å; A780-L800 CarbonylContact C-O 3.57Å; A780-L800 WeakPolarHBondContact CA-O 3.2Å; I781-L800 HydrophobicContact CB-CB 3.8Å; I781-L800 HydrophobicContact CD1-CB 3.85Å; I781-L800 HydrophobicContact CD1-CD2 3.73Å; I781-L800 HydrophobicContact CD1-CG 4.46Å; I781-L800 HydrophobicContact CG1-CB 3.8Å; I781-L800 HydrophobicContact CG1-CD2 4.09Å; I781-L800 PolarHBondContact N-O 3.42Å; I781-L800 PolarHBondContact O-N 3.26Å; L800-R842 CarbonylContact C-O 3.55Å; L800-R842 WeakPolarHBondContact CA-O 3.31Å; L800-F843 HydrophobicContact CB-CD2 4.43Å; L800-F843 HydrophobicContact CD1-CB 4.08Å; L800-F843 HydrophobicContact CD1-CD2 4.1Å
801	D	68.7	Low	60.6	Low	29 Å²	29	79.8 Å²	79.8	16%	0.155	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	156.5	-176.9	170.1	39	0	0	0	109.6	M841 R842	D801-M841 CarbonylContact O-C 3.53Å; D801-R842 HydrophobicContact CB-CB 4.3Å; D801-R842 PolarHBondContact N-O 3.32Å; D801-R842 PolarHBondContact O-N 3.27Å; D801-R842 IonicContact OD2-CZ 2.73Å; D801-R842 VanDerWaalsContact OD2-CZ 3.23Å; D801-R842 IonicContact OD2-NE 3.56Å; D801-R842 PolarHBondContact OD2-NE 2.8Å; D801-R842 IonicContact OD2-NH2 3.7Å; D801-R842 PolarHBondContact OD2-NH2 3.44Å
802	V	66.5	Low	62.4	Low	11 Å²	11	71.8 Å²	71.8	7%	0.067	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.7	178.3	176.9	0	0	0	0	110	V779 G804 M807 M841	V779-V802 HydrophobicContact CB-CG2 4.4Å; V802-G804 VanDerWaalsContact C-N 3.33Å; V802-G804 PolarHBondContact O-N 2.78Å; V802-M807 HydrophobicContact CG1-CB 4.08Å; V802-M807 HydrophobicContact CG1-CG 4.31Å; V802-M807 HydrophobicContact CG2-CB 4.34Å; V802-M807 HydrophobicContact CG2-CG 3.85Å; V802-M841 HydrophobicContact CG2-CG 4.39Å
803	M	59.4	Low	64.1	Low	92 Å²	92	63.3 Å²	63.3	45%	0.453	33%	0.325	S	S	.	.	S	Bend	trans	-91.8	58.8	-176.3	-58.8	-141.7	78	0	0	111.6	K840 R842	M803-K840 WeakPolarHBondContact CA-O 3.43Å; M803-K840 HydrophobicContact CB-CB 4.16Å; M803-K840 HydrophobicContact CB-CD 3.93Å; M803-K840 HydrophobicContact CB-CG 4.21Å; M803-K840 WeakPolarHBondContact CB-O 3.31Å; M803-K840 PolarHBondContact N-O 3.01Å; M803-R842 HydrophobicContact CG-CB 4.16Å
804	G	64.1	Low	65.4	Low	41 Å²	41	64.1 Å²	64.1	42%	0.423	32%	0.323	S	S	.	.	S	Bend	trans	178.3	177.2	178.7	0	0	0	0	0	112.9	V802	V802-G804 VanDerWaalsContact C-N 3.33Å; V802-G804 PolarHBondContact O-N 2.78Å
805	E	65.1	Low	66.5	Low	162 Å²	162	57.3 Å²	57.3	76%	0.757	30%	0.298	S	S	*	.	S	Bend	trans	-87.8	-22.4	178.9	-63.8	-166.3	175.8	0	0	114.5	K777	K777-E805 WeakPolarHBondContact CA-O 3.48Å; K777-E805 VanDerWaalsContact CB-O 3.31Å; K777-E805 WeakPolarHBondContact CB-O 3.47Å; K777-E805 WeakPolarHBondContact CG-O 3.41Å
806	E	67.6	Low	66.7	Low	64 Å²	64	57.4 Å²	57.4	30%	0.299	30%	0.299	S	S	.	.			trans	-132.1	88.1	-176.1	-67.4	-170.5	179.3	0	0	111.8	I775 L776 F808 R809 A839	I775-E806 HydrophobicContact CG2-CB 4.04Å; I775-E806 HydrophobicContact CG2-CG 3.69Å; L776-E806 CarbonylContact O-C 3.52Å; E806-F808 VanDerWaalsContact C-N 3.25Å; E806-F808 PolarHBondContact O-N 3.04Å; E806-R809 VanDerWaalsContact CD-NH2 3.28Å; E806-R809 IonicContact OE1-CZ 3.18Å; E806-R809 IonicContact OE1-NH2 2.81Å; E806-R809 PolarHBondContact OE1-NH2 2.88Å; E806-R809 IonicContact OE2-CZ 3.58Å; E806-R809 VanDerWaalsContact OE2-CZ 3.26Å; E806-R809 IonicContact OE2-NE 3.16Å; E806-R809 PolarHBondContact OE2-NE 3.17Å; E806-R809 IonicContact OE2-NH2 2.74Å; E806-R809 PolarHBondContact OE2-NH2 3.45Å; E806-A839 WeakPolarHBondContact O-CB 3.31Å
807	M	70.8	Confident	66.6	Low	34 Å²	34	62.6 Å²	62.6	17%	0.167	32%	0.318	C	S	.	.	S	Bend	trans	-45.2	-44.5	174.3	-170.2	-77.9	-156.7	0	0	113.6	L776 K777 V779 V802 L838 A839 M841	L776-M807 HydrophobicContact CD2-CB 4.36Å; L776-M807 HydrophobicContact CD2-CE 4.11Å; L776-M807 HydrophobicContact CD2-CG 4.23Å; L776-M807 HydrophobicContact CD2-SD 3.7Å; L776-M807 HydrophobicContact CG-CB 4.32Å; L776-M807 PolarHBondContact O-N 2.97Å; K777-M807 WeakPolarHBondContact O-CB 3.44Å; K777-M807 PolarHBondContact O-N 3.27Å; V779-M807 HydrophobicContact CG2-CE 4.29Å; V779-M807 HydrophobicContact CG2-CG 4.48Å; V802-M807 HydrophobicContact CG1-CB 4.08Å; V802-M807 HydrophobicContact CG1-CG 4.31Å; V802-M807 HydrophobicContact CG2-CB 4.34Å; V802-M807 HydrophobicContact CG2-CG 3.85Å; M807-L838 CarbonylContact O-C 3.6Å; M807-L838 WeakPolarHBondContact O-CA 3.28Å; M807-L838 HydrophobicContact SD-CD2 4.15Å; M807-A839 PolarHBondContact O-N 2.91Å; M807-M841 HydrophobicContact CE-CE 3.55Å; M807-M841 HydrophobicContact CE-SD 3.87Å; M807-M841 HydrophobicContact CG-CE 3.95Å; M807-M841 HydrophobicContact SD-CE 3.51Å; M807-M841 VanDerWaalsContact SD-CE 3.51Å; M807-M841 HydrophobicContact SD-SD 4.47Å
808	F	68.8	Low	66.6	Low	55 Å²	55	65.7 Å²	65.7	24%	0.241	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	144.1	-178.6	164.6	-87.3	0	0	0	110.9	V774 I775 L776 E806 L810 V836 R837 L838	V774-F808 HydrophobicContact CG1-CE1 4.08Å; I775-F808 CarbonylContact C-O 3.48Å; I775-F808 VanDerWaalsContact CA-O 3.25Å; I775-F808 WeakPolarHBondContact CA-O 3.48Å; I775-F808 WeakPolarHBondContact CG2-O 3.24Å; L776-F808 HydrophobicContact CB-CB 4.21Å; L776-F808 PolarHBondContact N-O 2.9Å; L776-F808 PolarHBondContact O-N 2.8Å; L776-F808 VanDerWaalsContact O-N 3.16Å; E806-F808 VanDerWaalsContact C-N 3.25Å; E806-F808 PolarHBondContact O-N 3.04Å; F808-L810 HydrophobicContact CE1-CB 3.73Å; F808-L810 HydrophobicContact CE2-CB 4.39Å; F808-L810 HydrophobicContact CZ-CB 3.5Å; F808-L810 VanDerWaalsContact CZ-CB 3.5Å; F808-L810 HydrophobicContact CZ-CD2 4.14Å; F808-L810 HydrophobicContact CZ-CG 4.44Å; F808-V836 HydrophobicContact CD2-CG1 4.37Å; F808-V836 HydrophobicContact CE2-CG1 3.93Å; F808-R837 CarbonylContact C-O 3.55Å; F808-R837 WeakPolarHBondContact CA-O 3.21Å; F808-L838 HydrophobicContact CB-CD2 3.96Å; F808-L838 HydrophobicContact CB-CG 4.31Å; F808-L838 HydrophobicContact CD2-CD1 4.13Å; F808-L838 HydrophobicContact CD2-CD2 3.9Å; F808-L838 HydrophobicContact CD2-CG 3.82Å; F808-L838 HydrophobicContact CG-CD2 4.44Å
809	R	71.9	Confident	65.8	Low	71 Å²	71	70.4 Å²	70.4	27%	0.268	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	139.4	171.9	172.1	-173	-73.2	-123	4.8	109.5	V774 I775 E806 E811 V836 R837	V774-R809 CarbonylContact O-C 3.47Å; V774-R809 WeakPolarHBondContact O-CA 3.22Å; I775-R809 HydrophobicContact CG1-CB 4.46Å; I775-R809 HydrophobicContact CG1-CG 4.26Å; E806-R809 VanDerWaalsContact CD-NH2 3.28Å; E806-R809 IonicContact OE1-CZ 3.18Å; E806-R809 IonicContact OE1-NH2 2.81Å; E806-R809 PolarHBondContact OE1-NH2 2.88Å; E806-R809 IonicContact OE2-CZ 3.58Å; E806-R809 VanDerWaalsContact OE2-CZ 3.26Å; E806-R809 IonicContact OE2-NE 3.16Å; E806-R809 PolarHBondContact OE2-NE 3.17Å; E806-R809 IonicContact OE2-NH2 2.74Å; E806-R809 PolarHBondContact OE2-NH2 3.45Å; R809-E811 HydrophobicContact CG-CG 4.31Å; R809-E811 IonicContact NH1-OE1 2.9Å; R809-E811 PolarHBondContact NH1-OE1 2.95Å; R809-E811 VanDerWaalsContact NH1-OE1 3.13Å; R809-V836 CarbonylContact O-C 3.56Å; R809-V836 VanDerWaalsContact O-CA 3.3Å; R809-V836 WeakPolarHBondContact O-CA 3.38Å; R809-R837 HydrophobicContact CB-CB 4.24Å; R809-R837 PolarHBondContact N-O 2.85Å; R809-R837 PolarHBondContact O-N 3.25Å; R809-R837 VanDerWaalsContact O-O 3.11Å
810	L	74.2	Confident	64.7	Low	47 Å²	47	77.8 Å²	77.8	25%	0.246	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	131.4	176.4	155.1	69.6	0	0	0	108.6	T773 V774 F808 L834 I835 V836	T773-L810 CarbonylContact C-O 3.57Å; T773-L810 WeakPolarHBondContact CA-O 3.46Å; V774-L810 HydrophobicContact CB-CB 4.3Å; V774-L810 HydrophobicContact CG2-CD2 4.41Å; V774-L810 PolarHBondContact N-O 3.12Å; V774-L810 PolarHBondContact O-N 3.22Å; F808-L810 HydrophobicContact CE1-CB 3.73Å; F808-L810 HydrophobicContact CE2-CB 4.39Å; F808-L810 HydrophobicContact CZ-CB 3.5Å; F808-L810 VanDerWaalsContact CZ-CB 3.5Å; F808-L810 HydrophobicContact CZ-CD2 4.14Å; F808-L810 HydrophobicContact CZ-CG 4.44Å; L810-L834 HydrophobicContact CD1-CD2 4.08Å; L810-I835 CarbonylContact C-O 3.6Å; L810-I835 VanDerWaalsContact CA-O 3.31Å; L810-I835 WeakPolarHBondContact CA-O 3.49Å; L810-V836 HydrophobicContact CB-CG2 4.29Å; L810-V836 HydrophobicContact CD1-CG2 3.69Å
811	E	75.9	Confident	63.7	Low	47 Å²	47	83.2 Å²	83.2	22%	0.22	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.1	175.9	-41.3	-173.5	160.4	0	0	108.7	T772 T773 R809 L834 I835	T772-E811 CarbonylContact O-C 3.14Å; T772-E811 VanDerWaalsContact O-CA 3.31Å; T772-E811 WeakPolarHBondContact O-CA 3.48Å; T773-E811 HydrophobicContact CG2-CG 4Å; R809-E811 HydrophobicContact CG-CG 4.31Å; R809-E811 IonicContact NH1-OE1 2.9Å; R809-E811 PolarHBondContact NH1-OE1 2.95Å; R809-E811 VanDerWaalsContact NH1-OE1 3.13Å; E811-L834 CarbonylContact O-C 3.58Å; E811-L834 WeakPolarHBondContact O-CA 3.44Å; E811-I835 HydrophobicContact CB-CB 4.14Å; E811-I835 PolarHBondContact N-O 2.91Å; E811-I835 PolarHBondContact O-N 3.25Å
812	C	74.9	Confident	62.4	Low	30 Å²	30	86.6 Å²	86.6	20%	0.203	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	113.8	-176	-178.4	0	0	0	0	110.1	S771 T772 C833 L834	S771-C812 CarbonylContact C-O 2.99Å; S771-C812 VanDerWaalsContact CA-O 3.25Å; S771-C812 WeakPolarHBondContact CA-O 3.44Å; T772-C812 PolarHBondContact N-O 3.29Å; T772-C812 PolarHBondContact O-N 2.92Å; C812-C833 CarbonylContact C-O 3.52Å; C812-C833 WeakPolarHBondContact CA-O 3.34Å; C812-L834 HydrophobicContact CB-CD2 3.73Å; C812-L834 VanDerWaalsContact SG-CD2 3.53Å
813	I	72.1	Confident	61.2	Low	28 Å²	28	91.5 Å²	91.5	14%	0.144	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.5	-176.9	-51.5	170.9	0	0	0	108.6	E769 T770 Y815 M832 C833	E769-I813 HydrophobicContact CB-CG2 4.07Å; T770-I813 CarbonylContact O-C 3.56Å; T770-I813 WeakPolarHBondContact O-CA 3.46Å; I813-Y815 HydrophobicContact CG2-CE1 4.11Å; I813-Y815 HydrophobicContact CG2-CE2 4.27Å; I813-M832 CarbonylContact O-C 3.19Å; I813-M832 VanDerWaalsContact O-CA 3.24Å; I813-M832 WeakPolarHBondContact O-CA 3.35Å; I813-C833 HydrophobicContact CB-CB 4.33Å; I813-C833 PolarHBondContact N-O 2.87Å; I813-C833 PolarHBondContact O-N 3.16Å
814	Q	69.3	Low	60.4	Low	103 Å²	103	94.5 Å²	94.5	48%	0.481	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.5	176.7	-178.5	179.3	-20.1	0	0	110.4	E769 T770 M832	E769-Q814 CarbonylContact C-O 3.56Å; E769-Q814 VanDerWaalsContact CA-O 3.27Å; E769-Q814 WeakPolarHBondContact CA-O 3.42Å; T770-Q814 PolarHBondContact N-O 2.89Å; T770-Q814 PolarHBondContact O-N 3.15Å; Q814-M832 HydrophobicContact CB-CE 4.38Å; Q814-M832 HydrophobicContact CG-CE 4.15Å
815	Y	66.1	Low	59.3	Low	90 Å²	90	98.9 Å²	98.9	35%	0.353	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	143.3	-179.1	-62.1	-75.7	0	0	0	111.7	E769 I813 V830 D831 C833	E769-Y815 HydrophobicContact CB-CD1 3.89Å; E769-Y815 HydrophobicContact CB-CE1 3.94Å; I813-Y815 HydrophobicContact CG2-CE1 4.11Å; I813-Y815 HydrophobicContact CG2-CE2 4.27Å; Y815-V830 HydrophobicContact CD2-CG2 4.17Å; Y815-V830 VanDerWaalsContact CD2-O 3.26Å; Y815-V830 WeakPolarHBondContact CD2-O 3.29Å; Y815-V830 HydrophobicContact CE2-CG2 3.94Å; Y815-D831 PolarHBondContact N-O 3.34Å; Y815-C833 HydrophobicContact CE2-CB 4.44Å
816	T	56.2	Low	58.3	Low	95 Å²	95	94.1 Å²	94.1	58%	0.583	48%	0.475	S	S	*	.			trans	-100.9	125.7	-178.4	-46.3	0	0	0	0	110.2	D768	D768-T816 PolarHBondContact O-N 3.46Å
817	R	54.6	Low	57.3	Low	133 Å²	133	95.6 Å²	95.6	50%	0.502	49%	0.492	S	S	.	.			trans	-107.7	121.5	177.8	-70.5	-161.5	-90.8	131	-11.4	111.7	D831	R817-D831 IonicContact CZ-OD1 2.89Å; R817-D831 IonicContact NE-OD1 4Å; R817-D831 PolarHBondContact NE-OD1 3.02Å; R817-D831 VanDerWaalsContact NH2-CG 3.29Å; R817-D831 IonicContact NH2-OD1 3.1Å; R817-D831 PolarHBondContact NH2-OD1 3.2Å; R817-D831 IonicContact NH2-OD2 2.71Å; R817-D831 PolarHBondContact NH2-OD2 3.15Å; R817-D831 VanDerWaalsContact NH2-OD2 3.17Å
818	D	54.1	Low	56.5	Low	129 Å²	129	102.4 Å²	102.4	69%	0.69	52%	0.524	S	S	*	.			trans	-71.1	143	164.7	-102.3	-35.9	0	0	0	110.6	D820	D818-D820 VanDerWaalsContact C-N 3.27Å; D818-D820 PolarHBondContact O-N 3.14Å
819	K	46.6	Very low	56.1	Low	180 Å²	180	104.1 Å²	104.1	78%	0.783	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-22.9	-172.6	-70.8	-178.1	178.5	176.2	0	114
820	D	45.4	Very low	55.9	Low	157 Å²	157	102 Å²	102	84%	0.84	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	3.8	-168	-58.3	-33.2	0	0	0	114.8	D818	D818-D820 VanDerWaalsContact C-N 3.27Å; D818-D820 PolarHBondContact O-N 3.14Å
821	Q	45.1	Very low	55.7	Low	149 Å²	149	100.9 Å²	100.9	70%	0.696	52%	0.522	S	S	*	.			trans	-118.9	30.3	-173	-62.8	-164.3	10.3	0	0	115.5	V823	Q821-V823 VanDerWaalsContact C-N 3.31Å; Q821-V823 PolarHBondContact O-N 3.43Å
822	V	40.9	Very low	55	Low	101 Å²	101	101 Å²	101	61%	0.612	52%	0.522	S	S	*	.			trans	-78.5	75.6	179.1	-170.2	0	0	0	0	111.9
823	V	41.7	Very low	55	Low	114 Å²	114	100.1 Å²	100.1	69%	0.691	52%	0.517	S	S	*	.			trans	-81.1	123.6	170.1	-177.5	0	0	0	0	109.7	Q821 D825	Q821-V823 VanDerWaalsContact C-N 3.31Å; Q821-V823 PolarHBondContact O-N 3.43Å; V823-D825 VanDerWaalsContact C-N 3.31Å; V823-D825 PolarHBondContact O-N 3.29Å; V823-D825 VanDerWaalsContact O-N 3.1Å
824	L	42	Very low	55	Low	154 Å²	154	101 Å²	101	81%	0.806	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	9.4	-160.6	-86.4	160.3	0	0	0	117.6
825	D	42	Very low	55.2	Low	134 Å²	134	97.4 Å²	97.4	72%	0.717	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	10.5	-160.2	-89.6	-31.9	0	0	0	117.5	V823	V823-D825 VanDerWaalsContact C-N 3.31Å; V823-D825 PolarHBondContact O-N 3.29Å; V823-D825 VanDerWaalsContact O-N 3.1Å
826	S	43.2	Very low	55.3	Low	62 Å²	62	94.2 Å²	94.2	43%	0.434	50%	0.495	S	S	.	.			trans	-111.4	114.6	177.4	67.5	0	0	0	0	114.1	Q828 Q829	S826-Q828 VanDerWaalsContact C-N 3.26Å; S826-Q828 PolarHBondContact O-N 3.32Å; S826-Q828 VanDerWaalsContact O-N 3.14Å; S826-Q829 WeakPolarHBondContact OG-CG 3.43Å; S826-Q829 PolarHBondContact OG-NE2 3Å
827	S	47.1	Very low	56	Low	95 Å²	95	93.5 Å²	93.5	66%	0.664	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	2.6	-172.7	53.4	0	0	0	0	116.7
828	Q	54.3	Low	56.6	Low	177 Å²	177	88.8 Å²	88.8	83%	0.827	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-0.3	-170.9	-67.1	-174.7	-19.6	0	0	115.3	S826 V830	S826-Q828 VanDerWaalsContact C-N 3.26Å; S826-Q828 PolarHBondContact O-N 3.32Å; S826-Q828 VanDerWaalsContact O-N 3.14Å; Q828-V830 PolarHBondContact O-N 2.94Å
829	Q	60.4	Low	57.3	Low	91 Å²	91	83.1 Å²	83.1	43%	0.425	44%	0.437	S	S	.	.			trans	-80.8	117.8	-174.4	-66.1	-177.5	-2.8	0	0	113.3	S826 R893	S826-Q829 WeakPolarHBondContact OG-CG 3.43Å; S826-Q829 PolarHBondContact OG-NE2 3Å; Q829-R893 PolarHBondContact O-NH1 3.5Å
830	V	66.8	Low	58.1	Low	26 Å²	26	77 Å²	77	16%	0.158	41%	0.411	C	S	.	.			trans	-122.5	156.2	174.1	-63.2	0	0	0	0	110.5	Y815 Q828 K895 F928	Y815-V830 HydrophobicContact CD2-CG2 4.17Å; Y815-V830 VanDerWaalsContact CD2-O 3.26Å; Y815-V830 WeakPolarHBondContact CD2-O 3.29Å; Y815-V830 HydrophobicContact CE2-CG2 3.94Å; Q828-V830 PolarHBondContact O-N 2.94Å; V830-K895 HydrophobicContact CG1-CB 4.41Å; V830-K895 HydrophobicContact CG2-CB 4.33Å; V830-F928 HydrophobicContact CG1-CD2 3.81Å; V830-F928 HydrophobicContact CG1-CE2 3.77Å
831	D	70.1	Confident	58.9	Low	24 Å²	24	71.4 Å²	71.4	13%	0.128	38%	0.38	C	S	.	.	S	Bend	trans	-92	-27.1	-177.2	-58.1	-44.7	0	0	0	112.6	Y815 R817 S892 R893	Y815-D831 PolarHBondContact N-O 3.34Å; R817-D831 IonicContact CZ-OD1 2.89Å; R817-D831 IonicContact NE-OD1 4Å; R817-D831 PolarHBondContact NE-OD1 3.02Å; R817-D831 VanDerWaalsContact NH2-CG 3.29Å; R817-D831 IonicContact NH2-OD1 3.1Å; R817-D831 PolarHBondContact NH2-OD1 3.2Å; R817-D831 IonicContact NH2-OD2 2.71Å; R817-D831 PolarHBondContact NH2-OD2 3.15Å; R817-D831 VanDerWaalsContact NH2-OD2 3.17Å; D831-S892 WeakPolarHBondContact OD2-CA 3.16Å; D831-R893 WeakPolarHBondContact CB-O 3.32Å; D831-R893 PolarHBondContact N-O 2.83Å; D831-R893 PolarHBondContact OD2-N 2.91Å
832	M	62.6	Low	60	Low	48 Å²	48	68.6 Å²	68.6	24%	0.236	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	153.1	-178.2	-167.4	177.2	-70	0	0	110.5	I813 Q814 R893 I894 K895	I813-M832 CarbonylContact O-C 3.19Å; I813-M832 VanDerWaalsContact O-CA 3.24Å; I813-M832 WeakPolarHBondContact O-CA 3.35Å; Q814-M832 HydrophobicContact CB-CE 4.38Å; Q814-M832 HydrophobicContact CG-CE 4.15Å; M832-R893 PolarHBondContact N-O 3.03Å; M832-I894 HydrophobicContact CB-CG1 4.27Å; M832-I894 HydrophobicContact CB-CG2 4.27Å; M832-I894 HydrophobicContact CG-CG2 4.49Å; M832-I894 CarbonylContact O-C 3.53Å; M832-K895 PolarHBondContact O-N 3.1Å
833	C	73.5	Confident	61.2	Low	13 Å²	13	66.5 Å²	66.5	9%	0.088	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	126.4	178.7	-173.4	0	0	0	0	110.3	C812 I813 Y815 K895	C812-C833 CarbonylContact C-O 3.52Å; C812-C833 WeakPolarHBondContact CA-O 3.34Å; I813-C833 HydrophobicContact CB-CB 4.33Å; I813-C833 PolarHBondContact N-O 2.87Å; I813-C833 PolarHBondContact O-N 3.16Å; Y815-C833 HydrophobicContact CE2-CB 4.44Å; C833-K895 CarbonylContact C-O 3.59Å; C833-K895 WeakPolarHBondContact CA-O 3.48Å; C833-K895 HydrophobicContact CB-CB 4.12Å
834	L	72.1	Confident	62.4	Low	45 Å²	45	61.6 Å²	61.6	24%	0.236	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	112	-175.3	-74.9	164.4	0	0	0	110.6	L810 E811 C812 I894 K895 L896 D897	L810-L834 HydrophobicContact CD1-CD2 4.08Å; E811-L834 CarbonylContact O-C 3.58Å; E811-L834 WeakPolarHBondContact O-CA 3.44Å; C812-L834 HydrophobicContact CB-CD2 3.73Å; C812-L834 VanDerWaalsContact SG-CD2 3.53Å; L834-I894 HydrophobicContact CD1-CG2 3.85Å; L834-I894 HydrophobicContact CG-CG2 4.46Å; L834-K895 PolarHBondContact N-O 3.07Å; L834-L896 HydrophobicContact CB-CD2 3.98Å; L834-L896 HydrophobicContact CD1-CD2 4.06Å; L834-L896 CarbonylContact O-C 3.42Å; L834-L896 WeakPolarHBondContact O-CA 3.01Å; L834-D897 PolarHBondContact O-N 3.09Å
835	I	74.8	Confident	63.4	Low	29 Å²	29	56.7 Å²	56.7	15%	0.149	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.2	176.6	-49.6	175	0	0	0	108.4	L810 E811 D897	L810-I835 CarbonylContact C-O 3.6Å; L810-I835 VanDerWaalsContact CA-O 3.31Å; L810-I835 WeakPolarHBondContact CA-O 3.49Å; E811-I835 HydrophobicContact CB-CB 4.14Å; E811-I835 PolarHBondContact N-O 2.91Å; E811-I835 PolarHBondContact O-N 3.25Å; I835-D897 CarbonylContact C-O 3.56Å; I835-D897 VanDerWaalsContact CA-O 3.23Å; I835-D897 WeakPolarHBondContact CA-O 3.44Å; I835-D897 HydrophobicContact CG1-CB 4.41Å; I835-D897 HydrophobicContact CG2-CB 4.45Å
836	V	68.1	Low	64.9	Low	22 Å²	22	50.4 Å²	50.4	13%	0.133	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.2	175.7	176.8	0	0	0	0	109.9	F808 R809 L810 L838 D897 V898 L899	F808-V836 HydrophobicContact CD2-CG1 4.37Å; F808-V836 HydrophobicContact CE2-CG1 3.93Å; R809-V836 CarbonylContact O-C 3.56Å; R809-V836 VanDerWaalsContact O-CA 3.3Å; R809-V836 WeakPolarHBondContact O-CA 3.38Å; L810-V836 HydrophobicContact CB-CG2 4.29Å; L810-V836 HydrophobicContact CD1-CG2 3.69Å; V836-L838 HydrophobicContact CG1-CD1 4.14Å; V836-D897 PolarHBondContact N-O 2.81Å; V836-V898 HydrophobicContact CB-CB 4.26Å; V836-V898 HydrophobicContact CB-CG1 3.98Å; V836-V898 HydrophobicContact CB-CG2 4.06Å; V836-V898 HydrophobicContact CG1-CG1 4.09Å; V836-V898 HydrophobicContact CG2-CG2 4.34Å; V836-V898 CarbonylContact O-C 3.57Å; V836-V898 WeakPolarHBondContact O-CA 3.41Å; V836-L899 PolarHBondContact O-N 3.18Å
837	R	70.8	Confident	65.9	Low	80 Å²	80	48.1 Å²	48.1	30%	0.302	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.9	171.9	-46.4	-66.7	175	-138.8	8.6	108.6	F808 R809 D897 L899	F808-R837 CarbonylContact C-O 3.55Å; F808-R837 WeakPolarHBondContact CA-O 3.21Å; R809-R837 HydrophobicContact CB-CB 4.24Å; R809-R837 PolarHBondContact N-O 2.85Å; R809-R837 PolarHBondContact O-N 3.25Å; R809-R837 VanDerWaalsContact O-O 3.11Å; R837-D897 IonicContact CZ-OD1 2.76Å; R837-D897 IonicContact CZ-OD2 2.97Å; R837-D897 VanDerWaalsContact NH1-CG 3.33Å; R837-D897 PolarHBondContact NH1-O 3.34Å; R837-D897 IonicContact NH1-OD1 3.64Å; R837-D897 PolarHBondContact NH1-OD1 3.41Å; R837-D897 IonicContact NH1-OD2 3.9Å; R837-D897 VanDerWaalsContact NH2-CG 3.35Å; R837-D897 IonicContact NH2-OD1 3.14Å; R837-D897 PolarHBondContact NH2-OD1 2.88Å; R837-D897 IonicContact NH2-OD2 2.92Å; R837-D897 PolarHBondContact NH2-OD2 3.08Å; R837-L899 CarbonylContact C-O 3.54Å; R837-L899 VanDerWaalsContact CA-O 3.28Å; R837-L899 WeakPolarHBondContact CA-O 3.31Å
838	L	66.3	Low	66.8	Low	35 Å²	35	44.9 Å²	44.9	18%	0.183	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	138	174.8	-87	135	0	0	0	109.2	M807 F808 V836 M841 L899 I900 E901	M807-L838 CarbonylContact O-C 3.6Å; M807-L838 WeakPolarHBondContact O-CA 3.28Å; M807-L838 HydrophobicContact SD-CD2 4.15Å; F808-L838 HydrophobicContact CB-CD2 3.96Å; F808-L838 HydrophobicContact CB-CG 4.31Å; F808-L838 HydrophobicContact CD2-CD1 4.13Å; F808-L838 HydrophobicContact CD2-CD2 3.9Å; F808-L838 HydrophobicContact CD2-CG 3.82Å; F808-L838 HydrophobicContact CG-CD2 4.44Å; V836-L838 HydrophobicContact CG1-CD1 4.14Å; L838-M841 HydrophobicContact CD2-CE 3.55Å; L838-L899 PolarHBondContact N-O 3.21Å; L838-I900 HydrophobicContact CB-CB 4.32Å; L838-I900 HydrophobicContact CB-CG1 4.29Å; L838-I900 HydrophobicContact CB-CG2 3.96Å; L838-I900 HydrophobicContact CD1-CD1 3.82Å; L838-I900 HydrophobicContact CD1-CG1 3.79Å; L838-I900 HydrophobicContact CD1-CG2 4.49Å; L838-E901 VanDerWaalsContact O-CB 3.27Å; L838-E901 WeakPolarHBondContact O-CB 3.4Å; L838-E901 WeakPolarHBondContact O-CG 3.29Å; L838-E901 PolarHBondContact O-N 3.11Å
839	A	68.8	Low	67.5	Low	9 Å²	9	38 Å²	38	7%	0.074	18%	0.179	C	C	.	.			trans	-92.5	163.7	-177.5	0	0	0	0	0	114	E806 M807 M841	E806-A839 WeakPolarHBondContact O-CB 3.31Å; M807-A839 PolarHBondContact O-N 2.91Å; A839-M841 WeakPolarHBondContact O-CG 3.4Å; A839-M841 PolarHBondContact O-N 3.38Å
840	K	63.5	Low	67.6	Low	51 Å²	51	35.9 Å²	35.9	22%	0.222	17%	0.17	C	C	.	.			trans	-55.4	117.4	179.5	-164.4	-167.6	-177.8	-168.9	0	112.3	M803 E901 T902 V904 W951	M803-K840 WeakPolarHBondContact CA-O 3.43Å; M803-K840 HydrophobicContact CB-CB 4.16Å; M803-K840 HydrophobicContact CB-CD 3.93Å; M803-K840 HydrophobicContact CB-CG 4.21Å; M803-K840 WeakPolarHBondContact CB-O 3.31Å; M803-K840 PolarHBondContact N-O 3.01Å; K840-E901 HydrophobicContact CB-CB 4.45Å; K840-E901 PolarHBondContact N-OE2 2.72Å; K840-T902 WeakPolarHBondContact CA-O 3.43Å; K840-T902 WeakPolarHBondContact CG-O 3.33Å; K840-V904 VanDerWaalsContact CE-CG2 3.42Å; K840-V904 HydrophobicContact CG-CG2 4.44Å; K840-W951 HydrophobicContact CD-CH2 4.46Å
841	M	63.6	Low	67.3	Low	41 Å²	41	36.7 Å²	36.7	20%	0.202	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.5	178.9	-49.4	-175.7	-162.1	0	0	111.2	D801 V802 M807 L838 A839 P903 V904	D801-M841 CarbonylContact O-C 3.53Å; V802-M841 HydrophobicContact CG2-CG 4.39Å; M807-M841 HydrophobicContact CE-CE 3.55Å; M807-M841 HydrophobicContact CE-SD 3.87Å; M807-M841 HydrophobicContact CG-CE 3.95Å; M807-M841 HydrophobicContact SD-CE 3.51Å; M807-M841 VanDerWaalsContact SD-CE 3.51Å; M807-M841 HydrophobicContact SD-SD 4.47Å; L838-M841 HydrophobicContact CD2-CE 3.55Å; A839-M841 WeakPolarHBondContact O-CG 3.4Å; A839-M841 PolarHBondContact O-N 3.38Å; M841-P903 CarbonylContact O-C 3.45Å; M841-P903 VanDerWaalsContact O-CA 3.24Å; M841-P903 WeakPolarHBondContact O-CA 3.41Å; M841-V904 PolarHBondContact O-N 3.05Å
842	R	66.4	Low	66.8	Low	89 Å²	89	40.3 Å²	40.3	34%	0.336	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.2	177.9	176.2	171	64	139.7	-0.2	110.2	L800 D801 M803 V904 V906	L800-R842 CarbonylContact C-O 3.55Å; L800-R842 WeakPolarHBondContact CA-O 3.31Å; D801-R842 HydrophobicContact CB-CB 4.3Å; D801-R842 PolarHBondContact N-O 3.32Å; D801-R842 PolarHBondContact O-N 3.27Å; D801-R842 IonicContact OD2-CZ 2.73Å; D801-R842 VanDerWaalsContact OD2-CZ 3.23Å; D801-R842 IonicContact OD2-NE 3.56Å; D801-R842 PolarHBondContact OD2-NE 2.8Å; D801-R842 IonicContact OD2-NH2 3.7Å; D801-R842 PolarHBondContact OD2-NH2 3.44Å; M803-R842 HydrophobicContact CG-CB 4.16Å; R842-V904 CarbonylContact C-O 3.5Å; R842-V904 WeakPolarHBondContact CA-O 3.47Å; R842-V906 HydrophobicContact CG-CG2 4.43Å
843	F	66.5	Low	66.6	Low	57 Å²	57	40.2 Å²	40.2	25%	0.25	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	128.6	-175.9	175.7	-103.8	0	0	0	112.5	I799 L800 F845 W849 V904 I905 V906	I799-F843 HydrophobicContact CG2-CD2 4.4Å; I799-F843 HydrophobicContact CG2-CE2 3.97Å; I799-F843 CarbonylContact O-C 3.48Å; I799-F843 VanDerWaalsContact O-CA 3.26Å; I799-F843 WeakPolarHBondContact O-CA 3.43Å; I799-F843 WeakPolarHBondContact O-CD2 3.46Å; L800-F843 HydrophobicContact CB-CD2 4.43Å; L800-F843 HydrophobicContact CD1-CB 4.08Å; L800-F843 HydrophobicContact CD1-CD2 4.1Å; F843-F845 HydrophobicContact CE1-CB 4.11Å; F843-F845 HydrophobicContact CE1-CD2 4.18Å; F843-W849 HydrophobicContact CE2-CH2 4.15Å; F843-W849 HydrophobicContact CE2-CZ3 4.01Å; F843-W849 HydrophobicContact CZ-CH2 4.48Å; F843-W849 AromaticContact CZ-CZ3 3.91Å; F843-W849 HydrophobicContact CZ-CZ3 3.91Å; F843-V904 PolarHBondContact N-O 3.39Å; F843-I905 HydrophobicContact CD1-CG2 4.5Å; F843-I905 CarbonylContact O-C 3.6Å; F843-I905 WeakPolarHBondContact O-CA 3.39Å; F843-V906 PolarHBondContact O-N 2.82Å
844	I	67.6	Low	65.6	Low	12 Å²	12	42.7 Å²	42.7	6%	0.062	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	110	-179.3	-47.6	-166.7	0	0	0	110.5	F796 Q798 I799 L846 V906 P908	F796-I844 HydrophobicContact CB-CD1 4.38Å; F796-I844 HydrophobicContact CD1-CD1 3.81Å; F796-I844 HydrophobicContact CD1-CG2 4.49Å; Q798-I844 WeakPolarHBondContact O-CD1 3.28Å; I799-I844 WeakPolarHBondContact CG2-O 3.48Å; I799-I844 PolarHBondContact O-N 2.95Å; I844-L846 HydrophobicContact CG2-CD1 4.39Å; I844-L846 HydrophobicContact CG2-CG 4.37Å; I844-L846 PolarHBondContact O-N 2.92Å; I844-V906 CarbonylContact C-O 3.43Å; I844-V906 WeakPolarHBondContact CA-O 3.34Å; I844-V906 HydrophobicContact CB-CB 4.47Å; I844-V906 HydrophobicContact CG1-CB 4.18Å; I844-V906 HydrophobicContact CG1-CG1 4.39Å; I844-V906 HydrophobicContact CG2-CB 4.47Å; I844-V906 HydrophobicContact CG2-CG1 4.26Å; I844-P908 HydrophobicContact CG2-CG 4.16Å
845	F	63.8	Low	64.7	Low	50 Å²	50	45.7 Å²	45.7	22%	0.219	21%	0.214	C	C	.	.			trans	-80.3	104.8	178.1	-172.4	-78.3	0	0	0	110.6	F843 N847 L850 V906 L907 P908 N1012 L1013	F843-F845 HydrophobicContact CE1-CB 4.11Å; F843-F845 HydrophobicContact CE1-CD2 4.18Å; F845-N847 HydrophobicContact CE1-CB 4.27Å; F845-L850 HydrophobicContact CE2-CD2 3.74Å; F845-L850 HydrophobicContact CZ-CD2 3.59Å; F845-V906 PolarHBondContact N-O 2.72Å; F845-L907 HydrophobicContact CB-CD2 3.7Å; F845-L907 HydrophobicContact CB-CG 4.26Å; F845-L907 HydrophobicContact CD1-CD2 3.67Å; F845-L907 HydrophobicContact CG-CD2 3.81Å; F845-P908 WeakPolarHBondContact O-CD 3.4Å; F845-N1012 PolarHBondContact O-ND2 2.86Å; F845-L1013 HydrophobicContact CE1-CD2 3.67Å; F845-L1013 HydrophobicContact CE1-CG 4.36Å; F845-L1013 HydrophobicContact CZ-CD2 3.99Å
846	L	71.8	Confident	63.7	Low	2 Å²	2	50.7 Å²	50.7	1%	0.01	23%	0.231	C	C	.	.			trans	-117.8	116.4	168.8	-77.6	164.8	0	0	0	108.9	Y783 I844 L848 W849 L850 P908	Y783-L846 HydrophobicContact CD2-CD1 3.87Å; Y783-L846 HydrophobicContact CE2-CD1 3.59Å; I844-L846 HydrophobicContact CG2-CD1 4.39Å; I844-L846 HydrophobicContact CG2-CG 4.37Å; I844-L846 PolarHBondContact O-N 2.92Å; L846-L848 VanDerWaalsContact C-N 3.32Å; L846-L848 PolarHBondContact O-N 3.1Å; L846-W849 HydrophobicContact CB-CB 4.1Å; L846-W849 CarbonylContact O-C 3.6Å; L846-W849 WeakPolarHBondContact O-CA 3.32Å; L846-W849 WeakPolarHBondContact O-CB 3.45Å; L846-W849 PolarHBondContact O-N 3.28Å; L846-W849 VanDerWaalsContact O-N 3.1Å; L846-L850 PolarHBondContact O-N 2.8Å; L846-P908 HydrophobicContact CD2-CG 3.58Å; L846-P908 HydrophobicContact CG-CG 4.04Å
847	N	65.9	Low	62.6	Low	14 Å²	14	52.2 Å²	52.2	8%	0.075	24%	0.238	C	C	.	.	H	α-helix	trans	-65.5	-32.9	-178.3	-174.1	54.4	0	0	0	112.2	F845 W849 L850 N851 N1012 L1013	F845-N847 HydrophobicContact CE1-CB 4.27Å; N847-W849 VanDerWaalsContact C-N 3.26Å; N847-W849 PolarHBondContact O-N 3.03Å; N847-L850 PolarHBondContact O-N 3.17Å; N847-N851 PolarHBondContact ND2-ND2 3.24Å; N847-N851 VanDerWaalsContact ND2-ND2 3.19Å; N847-N851 VanDerWaalsContact O-CB 3.27Å; N847-N851 WeakPolarHBondContact O-CB 3.47Å; N847-N851 VanDerWaalsContact O-CG 3.27Å; N847-N851 PolarHBondContact O-N 2.72Å; N847-N851 PolarHBondContact O-ND2 3.26Å; N847-N851 PolarHBondContact OD1-ND2 2.99Å; N847-N1012 WeakPolarHBondContact CB-O 3.42Å; N847-N1012 VanDerWaalsContact CB-OD1 3.23Å; N847-N1012 WeakPolarHBondContact CB-OD1 3.5Å; N847-N1012 PolarHBondContact N-OD1 3.07Å; N847-N1012 PolarHBondContact ND2-O 2.83Å; N847-N1012 VanDerWaalsContact ND2-O 3.14Å; N847-L1013 HydrophobicContact CB-CD2 4.46Å; N847-L1013 WeakPolarHBondContact ND2-CA 3.48Å; N847-L1013 PolarHBondContact ND2-O 3.13Å
848	L	64.7	Low	61.2	Low	27 Å²	27	49.8 Å²	49.8	14%	0.141	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-39.7	172	-173.4	61	0	0	0	111.5	L846 R852 E1015	L846-L848 VanDerWaalsContact C-N 3.32Å; L846-L848 PolarHBondContact O-N 3.1Å; L848-R852 WeakPolarHBondContact O-CB 3.43Å; L848-R852 VanDerWaalsContact O-CG 3.28Å; L848-R852 WeakPolarHBondContact O-CG 3.4Å; L848-R852 PolarHBondContact O-N 2.88Å; L848-R852 VanDerWaalsContact O-N 3.12Å; L848-E1015 HydrophobicContact CB-CB 3.84Å; L848-E1015 WeakPolarHBondContact CB-OE2 3.24Å; L848-E1015 HydrophobicContact CD1-CB 4.38Å
849	W	69.6	Low	60	Low	32 Å²	32	51.6 Å²	51.6	12%	0.121	25%	0.248	C	C	.	.	H	α-helix	trans	-72.3	-41.3	173.6	173.6	86.2	0	0	0	111.7	I781 Y783 I799 F843 L846 N847 N851 R852 L853	I781-W849 HydrophobicContact CG2-CZ2 4.25Å; Y783-W849 HydrophobicContact CE2-CB 4.47Å; I799-W849 HydrophobicContact CD1-CB 4.46Å; I799-W849 HydrophobicContact CD1-CD2 3.79Å; I799-W849 HydrophobicContact CD1-CG 3.62Å; I799-W849 HydrophobicContact CD1-CZ2 4.31Å; I799-W849 HydrophobicContact CG2-CD2 4.15Å; I799-W849 HydrophobicContact CG2-CE3 4.16Å; I799-W849 HydrophobicContact CG2-CH2 4.05Å; I799-W849 HydrophobicContact CG2-CZ2 4.05Å; I799-W849 HydrophobicContact CG2-CZ3 4.12Å; F843-W849 HydrophobicContact CE2-CH2 4.15Å; F843-W849 HydrophobicContact CE2-CZ3 4.01Å; F843-W849 HydrophobicContact CZ-CH2 4.48Å; F843-W849 AromaticContact CZ-CZ3 3.91Å; F843-W849 HydrophobicContact CZ-CZ3 3.91Å; L846-W849 HydrophobicContact CB-CB 4.1Å; L846-W849 CarbonylContact O-C 3.6Å; L846-W849 WeakPolarHBondContact O-CA 3.32Å; L846-W849 WeakPolarHBondContact O-CB 3.45Å; L846-W849 PolarHBondContact O-N 3.28Å; L846-W849 VanDerWaalsContact O-N 3.1Å; N847-W849 VanDerWaalsContact C-N 3.26Å; N847-W849 PolarHBondContact O-N 3.03Å; W849-N851 PolarHBondContact O-N 3.14Å; W849-R852 PolarHBondContact O-N 2.86Å; W849-L853 HydrophobicContact CH2-CD2 3.72Å; W849-L853 HydrophobicContact CZ2-CD2 4.11Å; W849-L853 HydrophobicContact CZ3-CD2 4.04Å; W849-L853 WeakPolarHBondContact O-CB 3.3Å; W849-L853 PolarHBondContact O-N 2.78Å
850	L	61.7	Low	58.5	Low	47 Å²	47	57 Å²	57	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-41.4	176.3	-177.1	63.1	0	0	0	111.8	F845 L846 N847 L853 L854	F845-L850 HydrophobicContact CE2-CD2 3.74Å; F845-L850 HydrophobicContact CZ-CD2 3.59Å; L846-L850 PolarHBondContact O-N 2.8Å; N847-L850 PolarHBondContact O-N 3.17Å; L850-L853 CarbonylContact O-C 2.96Å; L850-L853 WeakPolarHBondContact O-CB 3.33Å; L850-L853 PolarHBondContact O-N 2.84Å; L850-L854 HydrophobicContact CD1-CD1 4.21Å; L850-L854 HydrophobicContact CD1-CG 4.17Å; L850-L854 HydrophobicContact CD2-CD1 4.46Å; L850-L854 HydrophobicContact CG-CD1 3.89Å; L850-L854 HydrophobicContact CG-CG 4.26Å; L850-L854 VanDerWaalsContact O-CB 3.31Å; L850-L854 WeakPolarHBondContact O-CB 3.36Å; L850-L854 VanDerWaalsContact O-CG 3.27Å; L850-L854 WeakPolarHBondContact O-CG 3.19Å; L850-L854 PolarHBondContact O-N 2.74Å
851	N	60	Low	57.2	Low	44 Å²	44	58.6 Å²	58.6	24%	0.235	28%	0.278	C	S	.	.	H	α-helix	trans	-66.7	-39.6	175.6	-74.8	-35.4	0	0	0	111.3	N847 W849 L854 N855 E1015	N847-N851 PolarHBondContact ND2-ND2 3.24Å; N847-N851 VanDerWaalsContact ND2-ND2 3.19Å; N847-N851 VanDerWaalsContact O-CB 3.27Å; N847-N851 WeakPolarHBondContact O-CB 3.47Å; N847-N851 VanDerWaalsContact O-CG 3.27Å; N847-N851 PolarHBondContact O-N 2.72Å; N847-N851 PolarHBondContact O-ND2 3.26Å; N847-N851 PolarHBondContact OD1-ND2 2.99Å; W849-N851 PolarHBondContact O-N 3.14Å; N851-L854 PolarHBondContact O-N 2.8Å; N851-N855 WeakPolarHBondContact O-CB 3.32Å; N851-N855 PolarHBondContact O-N 3.14Å; N851-N855 PolarHBondContact O-ND2 3.46Å; N851-E1015 PolarHBondContact ND2-O 2.77Å
852	R	61.6	Low	56.1	Low	99 Å²	99	57.9 Å²	57.9	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-62	-42.4	170.5	-76.2	170.9	170.9	175.8	-0.7	111.6	L848 W849 W856 E1017	L848-R852 WeakPolarHBondContact O-CB 3.43Å; L848-R852 VanDerWaalsContact O-CG 3.28Å; L848-R852 WeakPolarHBondContact O-CG 3.4Å; L848-R852 PolarHBondContact O-N 2.88Å; L848-R852 VanDerWaalsContact O-N 3.12Å; W849-R852 PolarHBondContact O-N 2.86Å; R852-W856 WeakPolarHBondContact O-CB 3.46Å; R852-W856 PolarHBondContact O-N 2.8Å; R852-E1017 IonicContact CZ-OE1 3.81Å; R852-E1017 VanDerWaalsContact CZ-OE1 3.23Å; R852-E1017 IonicContact NE-OE1 3.75Å; R852-E1017 PolarHBondContact NE-OE1 2.78Å; R852-E1017 IonicContact NH2-OE1 3.41Å; R852-E1017 PolarHBondContact NH2-OE1 2.76Å
853	L	58.1	Low	54.7	Low	46 Å²	46	56.1 Å²	56.1	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-41.6	176.4	-174	72.5	0	0	0	112.3	W849 L850 W856 L857	W849-L853 HydrophobicContact CH2-CD2 3.72Å; W849-L853 HydrophobicContact CZ2-CD2 4.11Å; W849-L853 HydrophobicContact CZ3-CD2 4.04Å; W849-L853 WeakPolarHBondContact O-CB 3.3Å; W849-L853 PolarHBondContact O-N 2.78Å; L850-L853 CarbonylContact O-C 2.96Å; L850-L853 WeakPolarHBondContact O-CB 3.33Å; L850-L853 PolarHBondContact O-N 2.84Å; L853-W856 HydrophobicContact CD1-CE3 3.84Å; L853-W856 HydrophobicContact CD1-CZ3 4.07Å; L853-W856 CarbonylContact O-C 3.54Å; L853-W856 PolarHBondContact O-N 2.78Å; L853-L857 HydrophobicContact CG-CD1 4.17Å; L853-L857 WeakPolarHBondContact O-CB 3.39Å; L853-L857 VanDerWaalsContact O-CG 3.3Å; L853-L857 WeakPolarHBondContact O-CG 3.2Å; L853-L857 PolarHBondContact O-N 2.98Å
854	L	51.8	Low	53.4	Low	66 Å²	66	56 Å²	56	35%	0.346	29%	0.289	S	S	.	.	H	α-helix	trans	-71.8	-41.2	178.9	-74.3	174.6	0	0	0	111.7	L850 N851 W856 L857 S858	L850-L854 HydrophobicContact CD1-CD1 4.21Å; L850-L854 HydrophobicContact CD1-CG 4.17Å; L850-L854 HydrophobicContact CD2-CD1 4.46Å; L850-L854 HydrophobicContact CG-CD1 3.89Å; L850-L854 HydrophobicContact CG-CG 4.26Å; L850-L854 VanDerWaalsContact O-CB 3.31Å; L850-L854 WeakPolarHBondContact O-CB 3.36Å; L850-L854 VanDerWaalsContact O-CG 3.27Å; L850-L854 WeakPolarHBondContact O-CG 3.19Å; L850-L854 PolarHBondContact O-N 2.74Å; N851-L854 PolarHBondContact O-N 2.8Å; L854-W856 VanDerWaalsContact C-N 3.27Å; L854-W856 PolarHBondContact O-N 2.66Å; L854-L857 HydrophobicContact CD2-CD1 4.44Å; L854-L857 CarbonylContact O-C 3.18Å; L854-L857 PolarHBondContact O-N 2.68Å; L854-S858 WeakPolarHBondContact O-CB 3.48Å; L854-S858 PolarHBondContact O-N 2.82Å
855	N	54.3	Low	51.9	Low	107 Å²	107	60.4 Å²	60.4	57%	0.572	31%	0.31	S	S	*	.	H	α-helix	trans	-61.2	-39.3	171.5	-74.4	-22.6	0	0	0	111	N851 S858	N851-N855 WeakPolarHBondContact O-CB 3.32Å; N851-N855 PolarHBondContact O-N 3.14Å; N851-N855 PolarHBondContact O-ND2 3.46Å; N855-S858 PolarHBondContact O-OG 3.48Å
856	W	52.5	Low	50.9	Low	135 Å²	135	63.3 Å²	63.3	51%	0.511	32%	0.319	S	S	.	.	H	α-helix	trans	-68.7	-35	173	175.2	86.8	0	0	0	113.4	R852 L853 L854 P859 F860	R852-W856 WeakPolarHBondContact O-CB 3.46Å; R852-W856 PolarHBondContact O-N 2.8Å; L853-W856 HydrophobicContact CD1-CE3 3.84Å; L853-W856 HydrophobicContact CD1-CZ3 4.07Å; L853-W856 CarbonylContact O-C 3.54Å; L853-W856 PolarHBondContact O-N 2.78Å; L854-W856 VanDerWaalsContact C-N 3.27Å; L854-W856 PolarHBondContact O-N 2.66Å; W856-P859 WeakPolarHBondContact O-CD 3.26Å; W856-F860 HydrophobicContact CZ2-CE2 4.37Å; W856-F860 WeakPolarHBondContact O-CD2 3.11Å; W856-F860 WeakPolarHBondContact O-CE2 3.13Å
857	L	45	Very low	49	Very low	53 Å²	53	67.5 Å²	67.5	28%	0.277	35%	0.345	S	S	.	.	H	α-helix	trans	-75.6	-26.3	174.6	-80	172.2	0	0	0	113.2	L853 L854 P859 F860 Q861	L853-L857 HydrophobicContact CG-CD1 4.17Å; L853-L857 WeakPolarHBondContact O-CB 3.39Å; L853-L857 VanDerWaalsContact O-CG 3.3Å; L853-L857 WeakPolarHBondContact O-CG 3.2Å; L853-L857 PolarHBondContact O-N 2.98Å; L854-L857 HydrophobicContact CD2-CD1 4.44Å; L854-L857 CarbonylContact O-C 3.18Å; L854-L857 PolarHBondContact O-N 2.68Å; L857-P859 VanDerWaalsContact C-N 3.34Å; L857-P859 VanDerWaalsContact O-N 3.17Å; L857-F860 CarbonylContact O-C 3.58Å; L857-F860 WeakPolarHBondContact O-CA 3.32Å; L857-F860 WeakPolarHBondContact O-CB 3.43Å; L857-F860 PolarHBondContact O-N 3.18Å; L857-Q861 HydrophobicContact CB-CG 4.49Å; L857-Q861 PolarHBondContact O-N 3.41Å
858	S	41.2	Very low	47.5	Very low	30 Å²	30	69.8 Å²	69.8	21%	0.21	37%	0.366	C	S	.	.	H	α-helix	trans	-52.8	-37	-174	73	0	0	0	0	115.4	L854 N855 F860 T862	L854-S858 WeakPolarHBondContact O-CB 3.48Å; L854-S858 PolarHBondContact O-N 2.82Å; N855-S858 PolarHBondContact O-OG 3.48Å; S858-F860 VanDerWaalsContact C-N 3.31Å; S858-F860 PolarHBondContact O-N 3.45Å; S858-T862 WeakPolarHBondContact O-CB 3.22Å; S858-T862 PolarHBondContact O-N 3.41Å; S858-T862 PolarHBondContact O-OG1 2.92Å
859	P	40.6	Very low	46.2	Very low	73 Å²	73	70 Å²	70	47%	0.474	37%	0.37	S	S	.	.	H	α-helix	trans	-71.1	-27.9	175.2	-13.9	31.9	0	0	0	112.3	W856 L857 A863	W856-P859 WeakPolarHBondContact O-CD 3.26Å; L857-P859 VanDerWaalsContact C-N 3.34Å; L857-P859 VanDerWaalsContact O-N 3.17Å; P859-A863 WeakPolarHBondContact O-CB 3.28Å; P859-A863 PolarHBondContact O-N 3.06Å
860	F	38.5	Very low	44.5	Very low	121 Å²	121	72.7 Å²	72.7	53%	0.531	39%	0.386	S	S	.	.	H	α-helix	trans	-79.8	-39.7	176.1	-58.6	-86.1	0	0	0	111.4	W856 L857 S858 A863 A864	W856-F860 HydrophobicContact CZ2-CE2 4.37Å; W856-F860 WeakPolarHBondContact O-CD2 3.11Å; W856-F860 WeakPolarHBondContact O-CE2 3.13Å; L857-F860 CarbonylContact O-C 3.58Å; L857-F860 WeakPolarHBondContact O-CA 3.32Å; L857-F860 WeakPolarHBondContact O-CB 3.43Å; L857-F860 PolarHBondContact O-N 3.18Å; S858-F860 VanDerWaalsContact C-N 3.31Å; S858-F860 PolarHBondContact O-N 3.45Å; F860-A863 PolarHBondContact O-N 2.99Å; F860-A864 WeakPolarHBondContact O-CB 3.09Å; F860-A864 PolarHBondContact O-N 2.67Å
861	Q	35.8	Very low	43.2	Very low	86 Å²	86	72.3 Å²	72.3	40%	0.402	39%	0.389	S	S	.	.	H	α-helix	trans	-62.8	-50.7	174.4	-73.7	173	-35.7	0	0	111.1	L857 A863 A864 E865	L857-Q861 HydrophobicContact CB-CG 4.49Å; L857-Q861 PolarHBondContact O-N 3.41Å; Q861-A863 PolarHBondContact O-N 2.86Å; Q861-A863 VanDerWaalsContact O-N 3.15Å; Q861-A864 PolarHBondContact O-N 2.97Å; Q861-E865 WeakPolarHBondContact O-CG 3.44Å; Q861-E865 PolarHBondContact O-N 3.26Å
862	T	40	Very low	42.1	Very low	25 Å²	25	71.4 Å²	71.4	15%	0.153	39%	0.391	C	S	.	.	H	α-helix	trans	-59.1	-30.5	176.5	-47.3	0	0	0	0	112.4	S858 R866 E1169	S858-T862 WeakPolarHBondContact O-CB 3.22Å; S858-T862 PolarHBondContact O-N 3.41Å; S858-T862 PolarHBondContact O-OG1 2.92Å; T862-R866 WeakPolarHBondContact O-CD 3.48Å; T862-R866 VanDerWaalsContact O-CG 3.28Å; T862-R866 WeakPolarHBondContact O-CG 3.37Å; T862-E1169 HydrophobicContact CG2-CG 4.2Å; T862-E1169 VanDerWaalsContact CG2-OE1 3.32Å; T862-E1169 WeakPolarHBondContact CG2-OE1 3.49Å
863	A	38.7	Very low	41.1	Very low	52 Å²	52	68.1 Å²	68.1	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-78.6	-39.1	173.4	0	0	0	0	0	112.6	P859 F860 Q861 T867	P859-A863 WeakPolarHBondContact O-CB 3.28Å; P859-A863 PolarHBondContact O-N 3.06Å; F860-A863 PolarHBondContact O-N 2.99Å; Q861-A863 PolarHBondContact O-N 2.86Å; Q861-A863 VanDerWaalsContact O-N 3.15Å; A863-T867 WeakPolarHBondContact O-CB 3.08Å; A863-T867 PolarHBondContact O-N 2.87Å; A863-T867 VanDerWaalsContact O-N 3.11Å; A863-T867 PolarHBondContact O-OG1 3.5Å
864	A	37.6	Very low	40.2	Very low	54 Å²	54	67.6 Å²	67.6	45%	0.446	38%	0.384	S	S	.	.	H	α-helix	trans	-68.6	-44.5	-179.8	0	0	0	0	0	111.8	F860 Q861 R866 T867 A868	F860-A864 WeakPolarHBondContact O-CB 3.09Å; F860-A864 PolarHBondContact O-N 2.67Å; Q861-A864 PolarHBondContact O-N 2.97Å; A864-R866 PolarHBondContact O-N 2.83Å; A864-T867 CarbonylContact O-C 3.44Å; A864-T867 PolarHBondContact O-N 2.78Å; A864-T867 VanDerWaalsContact O-N 3.13Å; A864-A868 WeakPolarHBondContact O-CB 3.32Å; A864-A868 PolarHBondContact O-N 2.86Å
865	E	36.3	Very low	39.3	Very low	106 Å²	106	68.9 Å²	68.9	50%	0.495	39%	0.39	S	S	.	.	H	α-helix	trans	-63.5	-42.3	179.5	-69.3	168.4	148.6	0	0	111.8	Q861 T867 A868 S869	Q861-E865 WeakPolarHBondContact O-CG 3.44Å; Q861-E865 PolarHBondContact O-N 3.26Å; E865-T867 VanDerWaalsContact C-N 3.28Å; E865-T867 PolarHBondContact O-N 2.94Å; E865-A868 PolarHBondContact O-N 3.11Å; E865-S869 VanDerWaalsContact O-CB 3.29Å; E865-S869 WeakPolarHBondContact O-CB 3.13Å; E865-S869 PolarHBondContact O-N 3.27Å; E865-S869 PolarHBondContact O-OG 3.23Å
866	R	42.7	Very low	38.3	Very low	110 Å²	110	70.5 Å²	70.5	42%	0.415	40%	0.395	S	S	.	.	H	α-helix	trans	-67.4	-27.9	174.4	-67.3	178.5	178.3	-161.2	2.8	113	T862 A864 E1169	T862-R866 WeakPolarHBondContact O-CD 3.48Å; T862-R866 VanDerWaalsContact O-CG 3.28Å; T862-R866 WeakPolarHBondContact O-CG 3.37Å; A864-R866 PolarHBondContact O-N 2.83Å; R866-E1169 WeakPolarHBondContact CG-OE2 3.39Å; R866-E1169 IonicContact CZ-OE1 3.36Å; R866-E1169 IonicContact CZ-OE2 3.11Å; R866-E1169 VanDerWaalsContact NE-CD 3.33Å; R866-E1169 IonicContact NE-OE1 2.74Å; R866-E1169 PolarHBondContact NE-OE1 3.02Å; R866-E1169 IonicContact NE-OE2 2.69Å; R866-E1169 PolarHBondContact NE-OE2 3.04Å; R866-E1169 IonicContact NH2-OE1 3.16Å; R866-E1169 PolarHBondContact NH2-OE1 2.78Å; R866-E1169 IonicContact NH2-OE2 3.98Å
867	T	32.4	Very low	37.7	Very low	91 Å²	91	70.3 Å²	70.3	56%	0.558	40%	0.4	S	S	*	.	H	α-helix	trans	-82.1	-41.5	175.1	-54.7	0	0	0	0	111.4	A863 A864 E865 A871	A863-T867 WeakPolarHBondContact O-CB 3.08Å; A863-T867 PolarHBondContact O-N 2.87Å; A863-T867 VanDerWaalsContact O-N 3.11Å; A863-T867 PolarHBondContact O-OG1 3.5Å; A864-T867 CarbonylContact O-C 3.44Å; A864-T867 PolarHBondContact O-N 2.78Å; A864-T867 VanDerWaalsContact O-N 3.13Å; E865-T867 VanDerWaalsContact C-N 3.28Å; E865-T867 PolarHBondContact O-N 2.94Å; T867-A871 VanDerWaalsContact O-CB 3.25Å; T867-A871 WeakPolarHBondContact O-CB 3.26Å; T867-A871 PolarHBondContact O-N 2.98Å
868	A	34.1	Very low	37.4	Very low	61 Å²	61	72.2 Å²	72.2	50%	0.504	40%	0.403	S	S	.	.	H	α-helix	trans	-72.3	-36.3	-177.5	0	0	0	0	0	112.5	A864 E865 A871 G872	A864-A868 WeakPolarHBondContact O-CB 3.32Å; A864-A868 PolarHBondContact O-N 2.86Å; E865-A868 PolarHBondContact O-N 3.11Å; A868-A871 PolarHBondContact O-N 3.42Å; A868-G872 WeakPolarHBondContact O-CA 3.21Å; A868-G872 PolarHBondContact O-N 3.39Å
869	S	37.2	Very low	37.3	Very low	32 Å²	32	73.2 Å²	73.2	22%	0.224	41%	0.413	C	S	.	.	H	α-helix	trans	-70.2	-38.1	174.9	56.4	0	0	0	0	112.8	E865 I1173	E865-S869 VanDerWaalsContact O-CB 3.29Å; E865-S869 WeakPolarHBondContact O-CB 3.13Å; E865-S869 PolarHBondContact O-N 3.27Å; E865-S869 PolarHBondContact O-OG 3.23Å; S869-I1173 WeakPolarHBondContact O-CG1 3.34Å
870	L	35.3	Very low	37.3	Very low	89 Å²	89	76.5 Å²	76.5	47%	0.466	42%	0.416	S	S	.	.	H	α-helix	trans	-74.3	-23.7	173.3	-86	163.3	0	0	0	113.6
871	A	33.9	Very low	37.5	Very low	38 Å²	38	75.8 Å²	75.8	31%	0.314	42%	0.418	S	S	.	.	H	α-helix	trans	-84.2	-35.4	172	0	0	0	0	0	112.8	T867 A868 T873 A874 I875	T867-A871 VanDerWaalsContact O-CB 3.25Å; T867-A871 WeakPolarHBondContact O-CB 3.26Å; T867-A871 PolarHBondContact O-N 2.98Å; A868-A871 PolarHBondContact O-N 3.42Å; A871-T873 PolarHBondContact O-N 2.76Å; A871-A874 PolarHBondContact O-N 3.27Å; A871-I875 HydrophobicContact CB-CD1 4.06Å; A871-I875 WeakPolarHBondContact O-CB 3.16Å; A871-I875 VanDerWaalsContact O-CG1 3.28Å; A871-I875 WeakPolarHBondContact O-CG1 3.38Å; A871-I875 PolarHBondContact O-N 3.39Å
872	G	36.2	Very low	37.6	Very low	26 Å²	26	72.3 Å²	72.3	27%	0.268	40%	0.404	S	S	.	.	H	α-helix	trans	-60.5	-41	-169.7	0	0	0	0	0	114.2	A868 I875 Q876	A868-G872 WeakPolarHBondContact O-CA 3.21Å; A868-G872 PolarHBondContact O-N 3.39Å; G872-I875 PolarHBondContact O-N 3.02Å; G872-Q876 PolarHBondContact O-N 2.97Å
873	T	40	Very low	37.5	Very low	29 Å²	29	74.7 Å²	74.7	18%	0.178	42%	0.418	C	S	.	.	H	α-helix	trans	-67.7	-43.6	176.4	48.1	0	0	0	0	112.4	A871 I875 Q876 E877 I1173 Y1174	A871-T873 PolarHBondContact O-N 2.76Å; T873-I875 PolarHBondContact O-N 2.94Å; T873-Q876 PolarHBondContact O-N 3.34Å; T873-E877 PolarHBondContact O-N 2.93Å; T873-I1173 HydrophobicContact CG2-CD1 3.48Å; T873-I1173 VanDerWaalsContact CG2-CD1 3.48Å; T873-I1173 HydrophobicContact CG2-CG1 3.91Å; T873-I1173 HydrophobicContact CG2-CG2 4.45Å; T873-Y1174 WeakPolarHBondContact CB-OH 3.49Å; T873-Y1174 PolarHBondContact OG1-OH 3.32Å
874	A	39.8	Very low	37.6	Very low	36 Å²	36	77.4 Å²	77.4	30%	0.298	42%	0.422	S	S	.	.	H	α-helix	trans	-67.1	-22.7	175.2	0	0	0	0	0	113.1	A871	A871-A874 PolarHBondContact O-N 3.27Å
875	I	33.4	Very low	37.8	Very low	92 Å²	92	78 Å²	78	47%	0.472	43%	0.427	S	S	.	.	H	α-helix	trans	-79.9	-39	171.7	-70.9	165.9	0	0	0	111	A871 G872 T873 R878 A879	A871-I875 HydrophobicContact CB-CD1 4.06Å; A871-I875 WeakPolarHBondContact O-CB 3.16Å; A871-I875 VanDerWaalsContact O-CG1 3.28Å; A871-I875 WeakPolarHBondContact O-CG1 3.38Å; A871-I875 PolarHBondContact O-N 3.39Å; G872-I875 PolarHBondContact O-N 3.02Å; T873-I875 PolarHBondContact O-N 2.94Å; I875-R878 PolarHBondContact O-N 2.86Å; I875-A879 VanDerWaalsContact O-CB 3.29Å; I875-A879 WeakPolarHBondContact O-CB 3.43Å; I875-A879 PolarHBondContact O-N 3.06Å
876	Q	33.9	Very low	37.8	Very low	141 Å²	141	78.6 Å²	78.6	66%	0.659	43%	0.433	S	S	*	.	H	α-helix	trans	-62.5	-43.9	177.5	-82.4	-177.3	-54.2	0	0	112.8	G872 T873 R878 A879 R880	G872-Q876 PolarHBondContact O-N 2.97Å; T873-Q876 PolarHBondContact O-N 3.34Å; Q876-R878 PolarHBondContact O-N 3.42Å; Q876-A879 PolarHBondContact O-N 3.22Å; Q876-R880 PolarHBondContact O-N 3.13Å
877	E	38.9	Very low	37.6	Very low	132 Å²	132	77.6 Å²	77.6	62%	0.617	43%	0.433	S	S	*	.	H	α-helix	trans	-66	-37.9	177.6	-67.2	-175.5	138.9	0	0	112.1	T873 R880 N881	T873-E877 PolarHBondContact O-N 2.93Å; E877-R880 PolarHBondContact O-N 2.96Å; E877-N881 PolarHBondContact O-N 3.31Å; E877-N881 PolarHBondContact O-OD1 3.43Å
878	R	38.6	Very low	37.9	Very low	93 Å²	93	82.7 Å²	82.7	35%	0.351	45%	0.447	S	S	.	.	H	α-helix	trans	-69.4	-38.7	174	-76.1	-178.7	170.3	167.5	-0.5	112.8	I875 Q876 R880 N881 A882	I875-R878 PolarHBondContact O-N 2.86Å; Q876-R878 PolarHBondContact O-N 3.42Å; R878-R880 VanDerWaalsContact C-N 3.32Å; R878-R880 PolarHBondContact O-N 3.09Å; R878-N881 PolarHBondContact O-N 2.88Å; R878-A882 WeakPolarHBondContact O-CB 3.37Å; R878-A882 PolarHBondContact O-N 3.29Å
879	A	38.6	Very low	37.9	Very low	51 Å²	51	82.7 Å²	82.7	42%	0.421	45%	0.453	S	S	.	.	H	α-helix	trans	-64.5	-36.8	175.6	0	0	0	0	0	112	I875 Q876 V883	I875-A879 VanDerWaalsContact O-CB 3.29Å; I875-A879 WeakPolarHBondContact O-CB 3.43Å; I875-A879 PolarHBondContact O-N 3.06Å; Q876-A879 PolarHBondContact O-N 3.22Å; A879-V883 VanDerWaalsContact O-CG2 3.31Å; A879-V883 WeakPolarHBondContact O-CG2 3.5Å; A879-V883 PolarHBondContact O-N 3.41Å; A879-V883 VanDerWaalsContact O-N 3.09Å
880	R	41.1	Very low	38.4	Very low	142 Å²	142	89.2 Å²	89.2	54%	0.536	49%	0.486	S	S	.	.	H	α-helix	trans	-61.5	-51.5	174.6	-178.6	177.9	176.2	159.6	1.7	111.8	Q876 E877 R878 A882 V883 E884	Q876-R880 PolarHBondContact O-N 3.13Å; E877-R880 PolarHBondContact O-N 2.96Å; R878-R880 VanDerWaalsContact C-N 3.32Å; R878-R880 PolarHBondContact O-N 3.09Å; R880-A882 VanDerWaalsContact C-N 3.3Å; R880-A882 PolarHBondContact O-N 3Å; R880-V883 PolarHBondContact O-N 3.22Å; R880-E884 IonicContact NE-OE1 3.21Å; R880-E884 PolarHBondContact NE-OE1 2.94Å; R880-E884 IonicContact NH2-OE1 3.96Å; R880-E884 PolarHBondContact O-N 2.88Å; R880-E884 VanDerWaalsContact O-N 3.1Å
881	N	42.5	Very low	39	Very low	105 Å²	105	89 Å²	89	56%	0.561	48%	0.484	S	S	*	.	H	α-helix	trans	-67	-32.4	-177.9	-63.6	6	0	0	0	112.2	E877 R878 A885	E877-N881 PolarHBondContact O-N 3.31Å; E877-N881 PolarHBondContact O-OD1 3.43Å; R878-N881 PolarHBondContact O-N 2.88Å; N881-A885 PolarHBondContact O-N 3.41Å
882	A	38.6	Very low	39.7	Very low	13 Å²	13	91 Å²	91	11%	0.107	50%	0.496	C	S	.	.	H	α-helix	trans	-62.3	-44.1	171.2	0	0	0	0	0	112.7	D713 R878 R880 A885 L886	D713-A882 HydrophobicContact CB-CB 3.91Å; D713-A882 VanDerWaalsContact OD1-CB 3.24Å; D713-A882 WeakPolarHBondContact OD1-CB 3.26Å; R878-A882 WeakPolarHBondContact O-CB 3.37Å; R878-A882 PolarHBondContact O-N 3.29Å; R880-A882 VanDerWaalsContact C-N 3.3Å; R880-A882 PolarHBondContact O-N 3Å; A882-A885 PolarHBondContact O-N 3.37Å; A882-L886 WeakPolarHBondContact O-CG 3.47Å; A882-L886 PolarHBondContact O-N 2.94Å
883	V	37.1	Very low	41	Very low	75 Å²	75	92.7 Å²	92.7	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-41.2	178.5	168.9	0	0	0	0	111.4	A879 R880 A885 L886 Q887	A879-V883 VanDerWaalsContact O-CG2 3.31Å; A879-V883 WeakPolarHBondContact O-CG2 3.5Å; A879-V883 PolarHBondContact O-N 3.41Å; A879-V883 VanDerWaalsContact O-N 3.09Å; R880-V883 PolarHBondContact O-N 3.22Å; V883-A885 PolarHBondContact O-N 2.98Å; V883-L886 PolarHBondContact O-N 2.81Å; V883-Q887 PolarHBondContact O-N 3.4Å
884	E	41.4	Very low	42.2	Very low	109 Å²	109	94.2 Å²	94.2	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-65.4	-24.9	175.8	-68.6	178.4	-162	0	0	112.8	R880	R880-E884 IonicContact NE-OE1 3.21Å; R880-E884 PolarHBondContact NE-OE1 2.94Å; R880-E884 IonicContact NH2-OE1 3.96Å; R880-E884 PolarHBondContact O-N 2.88Å; R880-E884 VanDerWaalsContact O-N 3.1Å
885	A	41.5	Very low	43.8	Very low	68 Å²	68	97.1 Å²	97.1	56%	0.562	51%	0.507	S	S	*	.	H	α-helix	trans	-82.1	-33	173.5	0	0	0	0	0	113.7	N881 A882 V883	N881-A885 PolarHBondContact O-N 3.41Å; A882-A885 PolarHBondContact O-N 3.37Å; V883-A885 PolarHBondContact O-N 2.98Å
886	L	36.8	Very low	45.4	Very low	117 Å²	117	95 Å²	95	61%	0.613	50%	0.496	S	S	*	.	H	α-helix	trans	-76.4	-22	-176.7	-78.7	164.4	0	0	0	114.4	A882 V883 K888	A882-L886 WeakPolarHBondContact O-CG 3.47Å; A882-L886 PolarHBondContact O-N 2.94Å; V883-L886 PolarHBondContact O-N 2.81Å; L886-K888 PolarHBondContact O-N 3.47Å
887	Q	37.8	Very low	47.1	Very low	89 Å²	89	90.9 Å²	90.9	42%	0.416	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	30.9	-179.1	-71.1	-175.4	-81.8	0	0	114.8	V883 D976 R983	V883-Q887 PolarHBondContact O-N 3.4Å; Q887-D976 PolarHBondContact NE2-OD1 2.97Å; Q887-R983 VanDerWaalsContact NE2-NH2 3.13Å
888	K	38.7	Very low	48.2	Very low	198 Å²	198	85.8 Å²	85.8	86%	0.861	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.3	16.9	-177.8	-72.4	-173.9	177.4	171.1	0	115.4	L886	L886-K888 PolarHBondContact O-N 3.47Å
889	G	34.8	Very low	49.4	Very low	61 Å²	61	83.5 Å²	83.5	63%	0.629	45%	0.451	S	S	*	.	S	Bend	trans	-143.9	166.6	-179.1	0	0	0	0	0	114.3
890	D	47.3	Very low	50.5	Low	170 Å²	170	83.5 Å²	83.5	91%	0.909	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-59.9	143.1	-168	-74.5	-49	0	0	0	116
891	I	47.1	Very low	51.3	Low	83 Å²	83	80.4 Å²	80.4	43%	0.426	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-77.5	120.6	-178.5	-60	160	0	0	0	110.8	L973	I891-L973 WeakPolarHBondContact CD1-O 3.38Å; I891-L973 HydrophobicContact CG2-CB 3.85Å; I891-L973 HydrophobicContact CG2-CD1 3.88Å; I891-L973 HydrophobicContact CG2-CG 4.37Å
892	S	50.6	Low	51.8	Low	82 Å²	82	75.6 Å²	75.6	57%	0.573	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-95.2	147.2	176.7	53	0	0	0	0	113.4	D831	D831-S892 WeakPolarHBondContact OD2-CA 3.16Å
893	R	62.6	Low	52.4	Low	61 Å²	61	78 Å²	78	23%	0.23	42%	0.424	C	S	.	.			trans	-117.4	108.2	-169	-51.7	176.9	-159.4	160.9	4.5	111.9	Q829 D831 M832 F928	Q829-R893 PolarHBondContact O-NH1 3.5Å; D831-R893 WeakPolarHBondContact CB-O 3.32Å; D831-R893 PolarHBondContact N-O 2.83Å; D831-R893 PolarHBondContact OD2-N 2.91Å; M832-R893 PolarHBondContact N-O 3.03Å; R893-F928 HydrophobicContact CB-CE1 4.09Å; R893-F928 HydrophobicContact CB-CE2 4.38Å; R893-F928 HydrophobicContact CB-CZ 3.93Å
894	I	65.5	Low	53.1	Low	60 Å²	60	75.6 Å²	75.6	31%	0.308	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.5	-177.1	-52.2	178.5	0	0	0	111.4	M832 L834 N926 F928	M832-I894 HydrophobicContact CB-CG1 4.27Å; M832-I894 HydrophobicContact CB-CG2 4.27Å; M832-I894 HydrophobicContact CG-CG2 4.49Å; M832-I894 CarbonylContact O-C 3.53Å; L834-I894 HydrophobicContact CD1-CG2 3.85Å; L834-I894 HydrophobicContact CG-CG2 4.46Å; I894-N926 PolarHBondContact O-ND2 3.49Å; I894-F928 VanDerWaalsContact O-CZ 3.3Å; I894-F928 WeakPolarHBondContact O-CZ 3.38Å
895	K	73	Confident	53.7	Low	97 Å²	97	73.2 Å²	73.2	42%	0.422	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	151.9	173.7	-173.6	174.8	177.7	-176.9	0	112.1	V830 M832 C833 L834 N926	V830-K895 HydrophobicContact CG1-CB 4.41Å; V830-K895 HydrophobicContact CG2-CB 4.33Å; M832-K895 PolarHBondContact O-N 3.1Å; C833-K895 CarbonylContact C-O 3.59Å; C833-K895 WeakPolarHBondContact CA-O 3.48Å; C833-K895 HydrophobicContact CB-CB 4.12Å; L834-K895 PolarHBondContact N-O 3.07Å; K895-N926 WeakPolarHBondContact CA-OD1 3.35Å
896	L	67.1	Low	54.5	Low	47 Å²	47	70.6 Å²	70.6	25%	0.246	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142.1	-174.4	-71	158.8	0	0	0	111.4	L834 G925 N926 I943	L834-L896 HydrophobicContact CB-CD2 3.98Å; L834-L896 HydrophobicContact CD1-CD2 4.06Å; L834-L896 CarbonylContact O-C 3.42Å; L834-L896 WeakPolarHBondContact O-CA 3.01Å; L896-G925 WeakPolarHBondContact O-CA 3.4Å; L896-N926 PolarHBondContact N-OD1 3.34Å; L896-N926 PolarHBondContact O-N 3.48Å; L896-I943 HydrophobicContact CD1-CD1 4.29Å
897	D	70	Confident	55.4	Low	55 Å²	55	66.9 Å²	66.9	29%	0.294	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	90.9	174.1	172.7	11.4	0	0	0	110.7	L834 I835 V836 R837 V924	L834-D897 PolarHBondContact O-N 3.09Å; I835-D897 CarbonylContact C-O 3.56Å; I835-D897 VanDerWaalsContact CA-O 3.23Å; I835-D897 WeakPolarHBondContact CA-O 3.44Å; I835-D897 HydrophobicContact CG1-CB 4.41Å; I835-D897 HydrophobicContact CG2-CB 4.45Å; V836-D897 PolarHBondContact N-O 2.81Å; R837-D897 IonicContact CZ-OD1 2.76Å; R837-D897 IonicContact CZ-OD2 2.97Å; R837-D897 VanDerWaalsContact NH1-CG 3.33Å; R837-D897 PolarHBondContact NH1-O 3.34Å; R837-D897 IonicContact NH1-OD1 3.64Å; R837-D897 PolarHBondContact NH1-OD1 3.41Å; R837-D897 IonicContact NH1-OD2 3.9Å; R837-D897 VanDerWaalsContact NH2-CG 3.35Å; R837-D897 IonicContact NH2-OD1 3.14Å; R837-D897 PolarHBondContact NH2-OD1 2.88Å; R837-D897 IonicContact NH2-OD2 2.92Å; R837-D897 PolarHBondContact NH2-OD2 3.08Å; D897-V924 CarbonylContact C-O 3.58Å
898	V	62	Low	56.5	Low	26 Å²	26	62.6 Å²	62.6	16%	0.158	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.6	-177.3	-176.1	0	0	0	0	111	V836 I900 T923 V924	V836-V898 HydrophobicContact CB-CB 4.26Å; V836-V898 HydrophobicContact CB-CG1 3.98Å; V836-V898 HydrophobicContact CB-CG2 4.06Å; V836-V898 HydrophobicContact CG1-CG1 4.09Å; V836-V898 HydrophobicContact CG2-CG2 4.34Å; V836-V898 CarbonylContact O-C 3.57Å; V836-V898 WeakPolarHBondContact O-CA 3.41Å; V898-I900 HydrophobicContact CG1-CD1 4.46Å; V898-I900 HydrophobicContact CG1-CG1 4.08Å; V898-T923 CarbonylContact O-C 3.52Å; V898-T923 WeakPolarHBondContact O-CA 3.48Å; V898-T923 WeakPolarHBondContact O-CG2 3.45Å; V898-V924 HydrophobicContact CB-CB 3.92Å; V898-V924 HydrophobicContact CB-CG2 4.02Å; V898-V924 HydrophobicContact CG1-CG2 4.36Å; V898-V924 HydrophobicContact CG2-CB 4.33Å; V898-V924 PolarHBondContact N-O 3.45Å; V898-V924 PolarHBondContact O-N 3.28Å
899	L	62.4	Low	57.3	Low	44 Å²	44	53.4 Å²	53.4	23%	0.23	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.5	170.4	-176.4	70.7	0	0	0	109.3	V836 R837 L838 T923	V836-L899 PolarHBondContact O-N 3.18Å; R837-L899 CarbonylContact C-O 3.54Å; R837-L899 VanDerWaalsContact CA-O 3.28Å; R837-L899 WeakPolarHBondContact CA-O 3.31Å; L838-L899 PolarHBondContact N-O 3.21Å; L899-T923 HydrophobicContact CD1-CG2 4.05Å
900	I	62.3	Low	58.5	Low	51 Å²	51	50.9 Å²	50.9	26%	0.262	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	112.9	173.7	-50.9	-169.3	0	0	0	108.7	L838 V898 K921 L922	L838-I900 HydrophobicContact CB-CB 4.32Å; L838-I900 HydrophobicContact CB-CG1 4.29Å; L838-I900 HydrophobicContact CB-CG2 3.96Å; L838-I900 HydrophobicContact CD1-CD1 3.82Å; L838-I900 HydrophobicContact CD1-CG1 3.79Å; L838-I900 HydrophobicContact CD1-CG2 4.49Å; V898-I900 HydrophobicContact CG1-CD1 4.46Å; V898-I900 HydrophobicContact CG1-CG1 4.08Å; I900-K921 WeakPolarHBondContact O-CG 3.26Å; I900-L922 HydrophobicContact CB-CB 4.34Å; I900-L922 HydrophobicContact CD1-CD2 4.2Å; I900-L922 PolarHBondContact N-O 3.14Å; I900-L922 PolarHBondContact O-N 3.09Å
901	E	59	Low	59	Low	77 Å²	77	43.8 Å²	43.8	36%	0.36	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-71.4	149.6	170.5	-61.9	-168	148.4	0	0	111.5	L838 K840 P903	L838-E901 VanDerWaalsContact O-CB 3.27Å; L838-E901 WeakPolarHBondContact O-CB 3.4Å; L838-E901 WeakPolarHBondContact O-CG 3.29Å; L838-E901 PolarHBondContact O-N 3.11Å; K840-E901 HydrophobicContact CB-CB 4.45Å; K840-E901 PolarHBondContact N-OE2 2.72Å; E901-P903 WeakPolarHBondContact O-CD 3.11Å
902	T	51.4	Low	59.4	Low	5 Å²	5	48 Å²	48	3%	0.031	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-56.3	118.7	-166.5	-66.6	0	0	0	0	115.1	K840 V904 L919 G920 K921 W951	K840-T902 WeakPolarHBondContact CA-O 3.43Å; K840-T902 WeakPolarHBondContact CG-O 3.33Å; T902-V904 PolarHBondContact O-N 3.4Å; T902-L919 WeakPolarHBondContact CG2-O 3.11Å; T902-G920 WeakPolarHBondContact CA-O 3.32Å; T902-G920 VanDerWaalsContact CB-O 3.3Å; T902-G920 WeakPolarHBondContact CB-O 3.34Å; T902-G920 VanDerWaalsContact CG2-O 3.29Å; T902-G920 WeakPolarHBondContact CG2-O 3.38Å; T902-G920 PolarHBondContact OG1-O 2.92Å; T902-K921 WeakPolarHBondContact OG1-CA 3.37Å; T902-K921 WeakPolarHBondContact OG1-CB 3.29Å; T902-K921 PolarHBondContact OG1-N 3.45Å; T902-W951 HydrophobicContact CG2-CZ2 4.48Å
903	P	51.4	Low	59.3	Low	62 Å²	62	45.7 Å²	45.7	40%	0.403	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-74.1	121.7	163.3	29.7	-31.4	0	0	0	110.9	M841 E901 I905	M841-P903 CarbonylContact O-C 3.45Å; M841-P903 VanDerWaalsContact O-CA 3.24Å; M841-P903 WeakPolarHBondContact O-CA 3.41Å; E901-P903 WeakPolarHBondContact O-CD 3.11Å; P903-I905 PolarHBondContact O-N 3.1Å
904	V	52.9	Low	58.6	Low	25 Å²	25	47.3 Å²	47.3	15%	0.152	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	92.3	172.7	-179.7	0	0	0	0	109	K840 M841 R842 F843 T902 V906 P918	K840-V904 VanDerWaalsContact CE-CG2 3.42Å; K840-V904 HydrophobicContact CG-CG2 4.44Å; M841-V904 PolarHBondContact O-N 3.05Å; R842-V904 CarbonylContact C-O 3.5Å; R842-V904 WeakPolarHBondContact CA-O 3.47Å; F843-V904 PolarHBondContact N-O 3.39Å; T902-V904 PolarHBondContact O-N 3.4Å; V904-V906 HydrophobicContact CG1-CG2 4.07Å; V904-P918 HydrophobicContact CG1-CB 4.22Å
905	I	53.3	Low	57.5	Low	59 Å²	59	49.6 Å²	49.6	30%	0.303	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	149	163.8	-60.7	177.5	0	0	0	108.5	F843 P903 L907	F843-I905 HydrophobicContact CD1-CG2 4.5Å; F843-I905 CarbonylContact O-C 3.6Å; F843-I905 WeakPolarHBondContact O-CA 3.39Å; P903-I905 PolarHBondContact O-N 3.1Å; I905-L907 HydrophobicContact CG2-CD1 4.33Å; I905-L907 HydrophobicContact CG2-CG 4.3Å
906	V	59	Low	56.2	Low	13 Å²	13	50.4 Å²	50.4	8%	0.079	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	121.9	-178.3	175.3	0	0	0	0	108.7	R842 F843 I844 F845 V904 P908 L916	R842-V906 HydrophobicContact CG-CG2 4.43Å; F843-V906 PolarHBondContact O-N 2.82Å; I844-V906 CarbonylContact C-O 3.43Å; I844-V906 WeakPolarHBondContact CA-O 3.34Å; I844-V906 HydrophobicContact CB-CB 4.47Å; I844-V906 HydrophobicContact CG1-CB 4.18Å; I844-V906 HydrophobicContact CG1-CG1 4.39Å; I844-V906 HydrophobicContact CG2-CB 4.47Å; I844-V906 HydrophobicContact CG2-CG1 4.26Å; F845-V906 PolarHBondContact N-O 2.72Å; V904-V906 HydrophobicContact CG1-CG2 4.07Å; V906-P908 WeakPolarHBondContact O-CD 3.47Å; V906-L916 HydrophobicContact CG1-CB 4.42Å; V906-L916 HydrophobicContact CG1-CD2 3.42Å; V906-L916 VanDerWaalsContact CG1-CD2 3.42Å; V906-L916 HydrophobicContact CG1-CG 4.46Å
907	L	55.2	Low	55.1	Low	39 Å²	39	51 Å²	51	20%	0.204	27%	0.269	C	S	.	.			trans	-118.7	87	-174	-77.5	150.8	0	0	0	110.9	F845 I905 L917 I1008	F845-L907 HydrophobicContact CB-CD2 3.7Å; F845-L907 HydrophobicContact CB-CG 4.26Å; F845-L907 HydrophobicContact CD1-CD2 3.67Å; F845-L907 HydrophobicContact CG-CD2 3.81Å; I905-L907 HydrophobicContact CG2-CD1 4.33Å; I905-L907 HydrophobicContact CG2-CG 4.3Å; L907-L917 HydrophobicContact CD1-CD2 4.38Å; L907-I1008 HydrophobicContact CB-CD1 4.35Å; L907-I1008 HydrophobicContact CB-CG2 4.35Å; L907-I1008 HydrophobicContact CD2-CG2 4.22Å; L907-I1008 WeakPolarHBondContact O-CD1 3.27Å
908	P	60.8	Low	54	Low	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.282	C	S	.	.			trans	-67.1	149.9	172.3	30	-35.7	0	0	0	111.1	F796 I844 F845 L846 V906 S910 S913 K915 N1012	F796-P908 HydrophobicContact CE2-CB 4.11Å; F796-P908 HydrophobicContact CZ-CB 3.94Å; I844-P908 HydrophobicContact CG2-CG 4.16Å; F845-P908 WeakPolarHBondContact O-CD 3.4Å; L846-P908 HydrophobicContact CD2-CG 3.58Å; L846-P908 HydrophobicContact CG-CG 4.04Å; V906-P908 WeakPolarHBondContact O-CD 3.47Å; P908-S910 VanDerWaalsContact C-N 3.26Å; P908-S910 PolarHBondContact O-N 3.2Å; P908-S913 WeakPolarHBondContact CB-O 3.24Å; P908-K915 WeakPolarHBondContact CA-O 3.42Å; P908-N1012 WeakPolarHBondContact O-CB 3.25Å; P908-N1012 PolarHBondContact O-ND2 2.82Å
909	A	55.8	Low	53.1	Low	4 Å²	4	56.5 Å²	56.5	3%	0.033	30%	0.302	C	S	.	.	S	Bend	trans	-67.4	-27.2	-179.6	0	0	0	0	0	113.3	A1007 I1008 E1011 N1012	A909-A1007 HydrophobicContact CB-CB 3.91Å; A909-A1007 VanDerWaalsContact O-O 3.14Å; A909-I1008 HydrophobicContact CB-CG1 4.12Å; A909-E1011 WeakPolarHBondContact O-CB 3.29Å; A909-N1012 WeakPolarHBondContact O-CB 3.34Å; A909-N1012 PolarHBondContact O-N 2.93Å
910	S	59.7	Low	52.5	Low	8 Å²	8	56.6 Å²	56.6	6%	0.056	31%	0.314	C	S	.	.	S	Bend	trans	-162.9	172.9	171.6	47.6	0	0	0	0	109.7	P908 K912 S913 E1011	P908-S910 VanDerWaalsContact C-N 3.26Å; P908-S910 PolarHBondContact O-N 3.2Å; S910-K912 PolarHBondContact O-N 2.93Å; S910-S913 PolarHBondContact O-N 2.87Å; S910-E1011 WeakPolarHBondContact CB-OE2 3.5Å; S910-E1011 PolarHBondContact OG-OE2 3.15Å
911	S	58.4	Low	51.9	Low	21 Å²	21	57.3 Å²	57.3	15%	0.147	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-9.3	173.2	56.8	0	0	0	0	115.4	E1015	S911-E1015 VanDerWaalsContact CB-OE1 3.23Å; S911-E1015 WeakPolarHBondContact CB-OE1 3.43Å; S911-E1015 PolarHBondContact N-OE1 2.81Å; S911-E1015 PolarHBondContact OG-OE1 2.82Å
912	K	54.3	Low	51.8	Low	172 Å²	172	55.9 Å²	55.9	75%	0.748	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	-1.7	-176.7	-63.1	157.3	-169.6	160.5	0	113.9	S910	S910-K912 PolarHBondContact O-N 2.93Å
913	S	48.7	Very low	52.1	Low	33 Å²	33	57.9 Å²	57.9	23%	0.231	32%	0.322	C	S	.	.			trans	-117.1	149.8	-167.1	-171.5	0	0	0	0	114	F796 P908 S910	F796-S913 WeakPolarHBondContact CE2-O 3.26Å; F796-S913 WeakPolarHBondContact CZ-O 3.37Å; P908-S913 WeakPolarHBondContact CB-O 3.24Å; S910-S913 PolarHBondContact O-N 2.87Å
914	T	48.7	Very low	52.7	Low	95 Å²	95	55.8 Å²	55.8	58%	0.583	31%	0.308	S	S	*	.			trans	-110.6	12.2	-158.4	52.3	0	0	0	0	116.9	T795	T795-T914 HydrophobicContact CG2-CG2 4.33Å
915	K	41.8	Very low	53.2	Low	109 Å²	109	55.5 Å²	55.5	47%	0.474	31%	0.31	S	S	.	.			trans	-91.8	155.7	-178	-60	-173	178	-170.1	0	112.5	P908 V1004	P908-K915 WeakPolarHBondContact CA-O 3.42Å; K915-V1004 HydrophobicContact CB-CG1 4.18Å; K915-V1004 HydrophobicContact CD-CB 4.31Å; K915-V1004 HydrophobicContact CD-CG1 3.76Å; K915-V1004 HydrophobicContact CD-CG2 3.48Å; K915-V1004 VanDerWaalsContact CD-CG2 3.48Å
916	L	45.3	Very low	54	Low	113 Å²	113	53.8 Å²	53.8	59%	0.592	30%	0.301	S	S	*	.			trans	-142.2	158.6	-163	-43.3	170.6	0	0	0	112.3	V906	V906-L916 HydrophobicContact CG1-CB 4.42Å; V906-L916 HydrophobicContact CG1-CD2 3.42Å; V906-L916 VanDerWaalsContact CG1-CD2 3.42Å; V906-L916 HydrophobicContact CG1-CG 4.46Å
917	L	44.3	Very low	54.5	Low	59 Å²	59	59.4 Å²	59.4	31%	0.309	33%	0.327	S	S	.	.			trans	-159.2	118.2	-180	-176.1	78.6	0	0	0	113.6	L907 L959	L907-L917 HydrophobicContact CD1-CD2 4.38Å; L917-L959 HydrophobicContact CD1-CB 4.24Å; L917-L959 HydrophobicContact CD1-CD1 3.69Å
918	P	48.3	Very low	55.2	Low	87 Å²	87	58.9 Å²	58.9	57%	0.565	32%	0.323	S	S	*	.			trans	-108	175.9	-175.5	40.7	-35.4	0	0	0	116.6	V904	V904-P918 HydrophobicContact CG1-CB 4.22Å
919	L	43.1	Very low	55.5	Low	110 Å²	110	61.3 Å²	61.3	58%	0.576	34%	0.34	S	S	*	.			trans	-134.8	-174.4	-178.7	-65.9	173.9	0	0	0	113.4	T902	T902-L919 WeakPolarHBondContact CG2-O 3.11Å
920	G	48.1	Very low	56.2	Low	47 Å²	47	64.9 Å²	64.9	49%	0.485	35%	0.353	S	S	.	.			trans	-104.2	-159.3	-161.9	0	0	0	0	0	120.4	T902	T902-G920 WeakPolarHBondContact CA-O 3.32Å; T902-G920 VanDerWaalsContact CB-O 3.3Å; T902-G920 WeakPolarHBondContact CB-O 3.34Å; T902-G920 VanDerWaalsContact CG2-O 3.29Å; T902-G920 WeakPolarHBondContact CG2-O 3.38Å; T902-G920 PolarHBondContact OG1-O 2.92Å
921	K	51.3	Low	56.5	Low	65 Å²	65	68.2 Å²	68.2	28%	0.283	37%	0.37	S	S	.	.			trans	-118.8	149.8	-168.7	-169	171.7	-178.6	165.9	0	113.8	I900 T902 G947	I900-K921 WeakPolarHBondContact O-CG 3.26Å; T902-K921 WeakPolarHBondContact OG1-CA 3.37Å; T902-K921 WeakPolarHBondContact OG1-CB 3.29Å; T902-K921 PolarHBondContact OG1-N 3.45Å; K921-G947 WeakPolarHBondContact O-CA 3.26Å
922	L	56.4	Low	56.7	Low	48 Å²	48	75 Å²	75	25%	0.251	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.4	-173.1	178.6	69.5	0	0	0	114.5	I900 F965	I900-L922 HydrophobicContact CB-CB 4.34Å; I900-L922 HydrophobicContact CD1-CD2 4.2Å; I900-L922 PolarHBondContact N-O 3.14Å; I900-L922 PolarHBondContact O-N 3.09Å; L922-F965 HydrophobicContact CD1-CE2 3.92Å; L922-F965 HydrophobicContact CD1-CZ 3.78Å
923	T	57	Low	56.8	Low	46 Å²	46	70.7 Å²	70.7	28%	0.282	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.3	175	-31.8	0	0	0	0	111.2	V898 L899 F945 L946	V898-T923 CarbonylContact O-C 3.52Å; V898-T923 WeakPolarHBondContact O-CA 3.48Å; V898-T923 WeakPolarHBondContact O-CG2 3.45Å; L899-T923 HydrophobicContact CD1-CG2 4.05Å; T923-F945 CarbonylContact O-C 3.55Å; T923-F945 WeakPolarHBondContact O-CA 3.19Å; T923-L946 WeakPolarHBondContact CB-O 3.35Å; T923-L946 PolarHBondContact N-O 3.37Å; T923-L946 PolarHBondContact O-N 3.11Å; T923-L946 PolarHBondContact OG1-O 3.14Å
924	V	63.6	Low	57.2	Low	18 Å²	18	74.9 Å²	74.9	11%	0.109	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	146.9	173	-157.3	0	0	0	0	111	D897 V898 I943 V944 F945	D897-V924 CarbonylContact C-O 3.58Å; V898-V924 HydrophobicContact CB-CB 3.92Å; V898-V924 HydrophobicContact CB-CG2 4.02Å; V898-V924 HydrophobicContact CG1-CG2 4.36Å; V898-V924 HydrophobicContact CG2-CB 4.33Å; V898-V924 PolarHBondContact N-O 3.45Å; V898-V924 PolarHBondContact O-N 3.28Å; V924-I943 HydrophobicContact CG1-CG2 3.88Å; V924-V944 CarbonylContact C-O 3.57Å; V924-V944 VanDerWaalsContact CA-O 3.27Å; V924-V944 WeakPolarHBondContact CA-O 3.39Å; V924-F945 HydrophobicContact CB-CD1 4.1Å; V924-F945 HydrophobicContact CB-CE1 4.37Å; V924-F945 HydrophobicContact CB-CG 4.44Å; V924-F945 HydrophobicContact CG1-CB 4.4Å; V924-F945 HydrophobicContact CG1-CD1 3.55Å; V924-F945 HydrophobicContact CG1-CD2 3.86Å; V924-F945 HydrophobicContact CG1-CE1 3.63Å; V924-F945 HydrophobicContact CG1-CE2 3.92Å; V924-F945 HydrophobicContact CG1-CG 3.65Å; V924-F945 HydrophobicContact CG1-CZ 3.81Å; V924-F945 HydrophobicContact CG2-CD1 3.4Å; V924-F945 VanDerWaalsContact CG2-CD1 3.4Å; V924-F945 HydrophobicContact CG2-CE1 3.74Å; V924-F945 HydrophobicContact CG2-CG 4.13Å
925	G	63.2	Low	57.4	Low	20 Å²	20	77.6 Å²	77.6	21%	0.206	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	-176.2	167.2	0	0	0	0	0	112.5	L896 I943 V944	L896-G925 WeakPolarHBondContact O-CA 3.4Å; G925-I943 CarbonylContact O-C 3.44Å; G925-I943 VanDerWaalsContact O-CA 3.29Å; G925-I943 WeakPolarHBondContact O-CA 3.45Å; G925-I943 VanDerWaalsContact O-CG2 3.25Å; G925-I943 WeakPolarHBondContact O-CG2 3.43Å; G925-V944 PolarHBondContact N-O 3.07Å; G925-V944 PolarHBondContact O-N 3.34Å
926	N	71.7	Confident	57.9	Low	22 Å²	22	73.7 Å²	73.7	12%	0.118	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	166.2	174	77.3	-30.7	0	0	0	115.9	I894 K895 L896 D941 K942 I943	I894-N926 PolarHBondContact O-ND2 3.49Å; K895-N926 WeakPolarHBondContact CA-OD1 3.35Å; L896-N926 PolarHBondContact N-OD1 3.34Å; L896-N926 PolarHBondContact O-N 3.48Å; N926-D941 PolarHBondContact ND2-OD1 2.73Å; N926-K942 CarbonylContact C-O 3.54Å; N926-K942 WeakPolarHBondContact CA-O 3.43Å; N926-K942 WeakPolarHBondContact CB-O 3.21Å; N926-I943 HydrophobicContact CB-CB 4.12Å; N926-I943 HydrophobicContact CB-CG1 3.9Å; N926-I943 HydrophobicContact CB-CG2 4.34Å
927	E	69.8	Low	58.8	Low	132 Å²	132	71.7 Å²	71.7	62%	0.617	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.3	141.4	-175.5	179.8	175.9	-147.9	0	0	111	K942	E927-K942 PolarHBondContact N-O 3.24Å; E927-K942 PolarHBondContact O-N 3.38Å
928	F	69.4	Low	59.9	Low	28 Å²	28	68.9 Å²	68.9	12%	0.123	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.8	175.9	-69	-86.1	0	0	0	111.2	V830 R893 I894 Y930 V939 D941 L973	V830-F928 HydrophobicContact CG1-CD2 3.81Å; V830-F928 HydrophobicContact CG1-CE2 3.77Å; R893-F928 HydrophobicContact CB-CE1 4.09Å; R893-F928 HydrophobicContact CB-CE2 4.38Å; R893-F928 HydrophobicContact CB-CZ 3.93Å; I894-F928 VanDerWaalsContact O-CZ 3.3Å; I894-F928 WeakPolarHBondContact O-CZ 3.38Å; F928-Y930 HydrophobicContact CB-CE2 4.27Å; F928-V939 HydrophobicContact CD1-CG1 4.37Å; F928-D941 HydrophobicContact CD1-CB 4.03Å; F928-D941 HydrophobicContact CE1-CB 3.75Å; F928-L973 HydrophobicContact CE1-CD1 4.14Å
929	S	66.6	Low	61.1	Low	50 Å²	50	65.6 Å²	65.6	35%	0.35	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.4	178.4	58.3	0	0	0	0	111.6	L940	S929-L940 PolarHBondContact N-O 2.97Å; S929-L940 PolarHBondContact O-N 3.31Å; S929-L940 PolarHBondContact OG-O 3.29Å
930	Y	69.6	Low	62.8	Low	80 Å²	80	61.2 Å²	61.2	31%	0.314	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.6	-166.6	-58.5	-90.6	0	0	0	111	F928 V937 V938 V939	F928-Y930 HydrophobicContact CB-CE2 4.27Å; Y930-V937 HydrophobicContact CD1-CG1 4.35Å; Y930-V938 WeakPolarHBondContact CA-O 3.48Å; Y930-V939 HydrophobicContact CD1-CG1 4.36Å; Y930-V939 HydrophobicContact CD1-CG2 4.05Å; Y930-V939 HydrophobicContact CE1-CG1 4.06Å; Y930-V939 HydrophobicContact CE1-CG2 4.13Å
931	L	67.3	Low	64.2	Low	78 Å²	78	59 Å²	59	41%	0.408	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.1	174.2	-71	168.3	0	0	0	109	V938 L940	L931-V938 HydrophobicContact CB-CB 4.05Å; L931-V938 HydrophobicContact CB-CG1 4.34Å; L931-V938 HydrophobicContact CD1-CG1 4.33Å; L931-V938 PolarHBondContact N-O 3.25Å; L931-V938 PolarHBondContact O-N 2.76Å; L931-L940 HydrophobicContact CD1-CD1 3.95Å
932	K	62	Low	65.6	Low	163 Å²	163	59.8 Å²	59.8	71%	0.709	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.9	173	-68.5	-173.3	176.6	-177.5	0	109.2	V937	K932-V937 HydrophobicContact CG-CG2 4.45Å
933	L	57.6	Low	66.4	Low	82 Å²	82	58.5 Å²	58.5	43%	0.429	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	169.2	170.8	-65.7	163.7	0	0	0	109	D935 G936 V938 Y978	L933-D935 PolarHBondContact O-N 2.81Å; L933-G936 WeakPolarHBondContact CB-O 3.3Å; L933-G936 PolarHBondContact N-O 3.43Å; L933-V938 HydrophobicContact CD1-CG2 3.73Å; L933-Y978 HydrophobicContact CD1-CD2 3.55Å; L933-Y978 HydrophobicContact CD1-CE2 3.65Å; L933-Y978 HydrophobicContact CD1-CG 4.34Å
934	S	56.5	Low	67	Low	120 Å²	120	58.6 Å²	58.6	84%	0.839	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.6	173.7	48.7	0	0	0	0	112.9
935	D	52.4	Low	66.9	Low	153 Å²	153	60.9 Å²	60.9	82%	0.818	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	2	-166.6	-56.4	12.3	0	0	0	112.2	L933	L933-D935 PolarHBondContact O-N 2.81Å
936	G	52.6	Low	66.8	Low	26 Å²	26	62.7 Å²	62.7	27%	0.268	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164.9	177.3	-179.8	0	0	0	0	0	115.1	L933	L933-G936 WeakPolarHBondContact CB-O 3.3Å; L933-G936 PolarHBondContact N-O 3.43Å
937	V	64.8	Low	66	Low	71 Å²	71	61.7 Å²	61.7	43%	0.43	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.1	174.1	-178.3	0	0	0	0	109.4	Y930 K932	Y930-V937 HydrophobicContact CD1-CG1 4.35Å; K932-V937 HydrophobicContact CG-CG2 4.45Å
938	V	66.8	Low	65.3	Low	0 Å²	0	62 Å²	62	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.5	178.1	164.1	0	0	0	0	109.9	Y930 L931 L933 L940 S974 F977 Y978	Y930-V938 WeakPolarHBondContact CA-O 3.48Å; L931-V938 HydrophobicContact CB-CB 4.05Å; L931-V938 HydrophobicContact CB-CG1 4.34Å; L931-V938 HydrophobicContact CD1-CG1 4.33Å; L931-V938 PolarHBondContact N-O 3.25Å; L931-V938 PolarHBondContact O-N 2.76Å; L933-V938 HydrophobicContact CD1-CG2 3.73Å; V938-L940 HydrophobicContact CG1-CD2 3.97Å; V938-L940 HydrophobicContact CG1-CG 4.25Å; V938-S974 WeakPolarHBondContact CA-OG 3.32Å; V938-F977 HydrophobicContact CG2-CE2 3.73Å; V938-F977 HydrophobicContact CG2-CZ 4.03Å; V938-Y978 HydrophobicContact CB-CD1 4.3Å; V938-Y978 HydrophobicContact CB-CG 4.49Å; V938-Y978 HydrophobicContact CG1-CD1 3.64Å; V938-Y978 HydrophobicContact CG1-CE1 4.07Å; V938-Y978 HydrophobicContact CG1-CG 4.28Å; V938-Y978 VanDerWaalsContact CG2-CB 3.43Å; V938-Y978 HydrophobicContact CG2-CD1 3.75Å; V938-Y978 HydrophobicContact CG2-CD2 4.04Å; V938-Y978 HydrophobicContact CG2-CE1 4.47Å; V938-Y978 HydrophobicContact CG2-CG 3.48Å; V938-Y978 VanDerWaalsContact CG2-CG 3.48Å
939	V	73.3	Confident	64.5	Low	18 Å²	18	65.1 Å²	65.1	11%	0.109	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.7	-177.9	-171	0	0	0	0	110.2	F928 Y930 L973 S974	F928-V939 HydrophobicContact CD1-CG1 4.37Å; Y930-V939 HydrophobicContact CD1-CG1 4.36Å; Y930-V939 HydrophobicContact CD1-CG2 4.05Å; Y930-V939 HydrophobicContact CE1-CG1 4.06Å; Y930-V939 HydrophobicContact CE1-CG2 4.13Å; V939-L973 HydrophobicContact CB-CB 4.4Å; V939-L973 HydrophobicContact CG1-CD1 4.11Å; V939-L973 WeakPolarHBondContact O-CB 3.17Å; V939-L973 PolarHBondContact O-N 3.23Å; V939-S974 PolarHBondContact N-OG 3.2Å
940	L	79.1	Confident	63	Low	19 Å²	19	66.3 Å²	66.3	10%	0.099	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.7	179	-53.7	179.4	0	0	0	110.1	S929 L931 V938 V970 R971 N972 V981	S929-L940 PolarHBondContact N-O 2.97Å; S929-L940 PolarHBondContact O-N 3.31Å; S929-L940 PolarHBondContact OG-O 3.29Å; L931-L940 HydrophobicContact CD1-CD1 3.95Å; V938-L940 HydrophobicContact CG1-CD2 3.97Å; V938-L940 HydrophobicContact CG1-CG 4.25Å; L940-V970 HydrophobicContact CB-CG1 4.11Å; L940-R971 WeakPolarHBondContact CA-O 3.35Å; L940-N972 HydrophobicContact CD2-CB 3.79Å; L940-V981 HydrophobicContact CD2-CG1 4.29Å
941	D	77.7	Confident	61.5	Low	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	111.4	177.9	163.5	36.6	0	0	0	110.3	N926 F928 V970 R971 L973	N926-D941 PolarHBondContact ND2-OD1 2.73Å; F928-D941 HydrophobicContact CD1-CB 4.03Å; F928-D941 HydrophobicContact CE1-CB 3.75Å; D941-V970 CarbonylContact O-C 3.42Å; D941-V970 VanDerWaalsContact O-CA 3.32Å; D941-V970 WeakPolarHBondContact O-CA 3.31Å; D941-R971 HydrophobicContact CB-CB 4.32Å; D941-R971 PolarHBondContact N-O 2.71Å; D941-R971 PolarHBondContact O-N 2.72Å; D941-R971 IonicContact OD2-CZ 2.78Å; D941-R971 IonicContact OD2-NE 3.03Å; D941-R971 PolarHBondContact OD2-NE 3.38Å; D941-R971 IonicContact OD2-NH2 3.27Å; D941-R971 PolarHBondContact OD2-NH2 2.71Å; D941-L973 HydrophobicContact CB-CD1 4.21Å; D941-L973 HydrophobicContact CB-CG 4.45Å
942	K	79.8	Confident	59.8	Low	81 Å²	81	73 Å²	73	35%	0.352	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	101.8	-174.6	-179.3	174.9	-177.8	179.8	0	111	N926 E927 V944 S968 V970	N926-K942 CarbonylContact C-O 3.54Å; N926-K942 WeakPolarHBondContact CA-O 3.43Å; N926-K942 WeakPolarHBondContact CB-O 3.21Å; E927-K942 PolarHBondContact N-O 3.24Å; E927-K942 PolarHBondContact O-N 3.38Å; K942-V944 HydrophobicContact CG-CG2 4.31Å; K942-S968 VanDerWaalsContact CE-OG 3.22Å; K942-S968 WeakPolarHBondContact CE-OG 3.46Å; K942-S968 WeakPolarHBondContact CG-OG 3.25Å; K942-V970 HydrophobicContact CB-CG2 4.17Å; K942-V970 HydrophobicContact CD-CG2 4.35Å; K942-V970 HydrophobicContact CG-CG2 3.93Å
943	I	72.9	Confident	58.3	Low	22 Å²	22	73.3 Å²	73.3	11%	0.113	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	147.5	169.4	-41.5	178.6	0	0	0	109	L896 V924 G925 N926 F945 S968 V969	L896-I943 HydrophobicContact CD1-CD1 4.29Å; V924-I943 HydrophobicContact CG1-CG2 3.88Å; G925-I943 CarbonylContact O-C 3.44Å; G925-I943 VanDerWaalsContact O-CA 3.29Å; G925-I943 WeakPolarHBondContact O-CA 3.45Å; G925-I943 VanDerWaalsContact O-CG2 3.25Å; G925-I943 WeakPolarHBondContact O-CG2 3.43Å; N926-I943 HydrophobicContact CB-CB 4.12Å; N926-I943 HydrophobicContact CB-CG1 3.9Å; N926-I943 HydrophobicContact CB-CG2 4.34Å; I943-F945 HydrophobicContact CG2-CD2 4.47Å; I943-F945 HydrophobicContact CG2-CE2 3.97Å; I943-S968 CarbonylContact O-C 3.51Å; I943-S968 WeakPolarHBondContact O-CA 3.44Å; I943-S968 PolarHBondContact O-OG 2.68Å; I943-V969 HydrophobicContact CB-CB 4.13Å; I943-V969 HydrophobicContact CD1-CB 4.46Å; I943-V969 HydrophobicContact CG1-CB 4.47Å; I943-V969 PolarHBondContact N-O 2.82Å; I943-V969 PolarHBondContact O-N 2.76Å
944	V	70.1	Confident	57	Low	48 Å²	48	72.4 Å²	72.4	29%	0.291	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	121.8	176	-177.6	0	0	0	0	110.1	V924 G925 K942 L946 I967	V924-V944 CarbonylContact C-O 3.57Å; V924-V944 VanDerWaalsContact CA-O 3.27Å; V924-V944 WeakPolarHBondContact CA-O 3.39Å; G925-V944 PolarHBondContact N-O 3.07Å; G925-V944 PolarHBondContact O-N 3.34Å; K942-V944 HydrophobicContact CG-CG2 4.31Å; V944-L946 HydrophobicContact CG1-CD1 4.32Å; V944-L946 HydrophobicContact CG1-CG 4.45Å; V944-I967 CarbonylContact C-O 3.48Å; V944-I967 WeakPolarHBondContact CA-O 3.5Å
945	F	61.7	Low	55.9	Low	65 Å²	65	75.1 Å²	75.1	29%	0.285	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	142.8	167.8	-57.5	-111.5	0	0	0	108.8	T923 V924 I943 T966 I967 V969	T923-F945 CarbonylContact O-C 3.55Å; T923-F945 WeakPolarHBondContact O-CA 3.19Å; V924-F945 HydrophobicContact CB-CD1 4.1Å; V924-F945 HydrophobicContact CB-CE1 4.37Å; V924-F945 HydrophobicContact CB-CG 4.44Å; V924-F945 HydrophobicContact CG1-CB 4.4Å; V924-F945 HydrophobicContact CG1-CD1 3.55Å; V924-F945 HydrophobicContact CG1-CD2 3.86Å; V924-F945 HydrophobicContact CG1-CE1 3.63Å; V924-F945 HydrophobicContact CG1-CE2 3.92Å; V924-F945 HydrophobicContact CG1-CG 3.65Å; V924-F945 HydrophobicContact CG1-CZ 3.81Å; V924-F945 HydrophobicContact CG2-CD1 3.4Å; V924-F945 VanDerWaalsContact CG2-CD1 3.4Å; V924-F945 HydrophobicContact CG2-CE1 3.74Å; V924-F945 HydrophobicContact CG2-CG 4.13Å; I943-F945 HydrophobicContact CG2-CD2 4.47Å; I943-F945 HydrophobicContact CG2-CE2 3.97Å; F945-T966 WeakPolarHBondContact O-CA 3.46Å; F945-I967 HydrophobicContact CB-CB 4.05Å; F945-I967 HydrophobicContact CD2-CB 4.14Å; F945-I967 WeakPolarHBondContact CD2-O 3.3Å; F945-I967 HydrophobicContact CG-CB 4.34Å; F945-I967 PolarHBondContact N-O 2.89Å; F945-I967 PolarHBondContact O-N 3.23Å; F945-V969 HydrophobicContact CE2-CG2 4.07Å
946	L	60.6	Low	55.1	Low	58 Å²	58	76.7 Å²	76.7	30%	0.304	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	113.2	-172.8	-111	163.5	0	0	0	110.7	T923 V944 K948 T966	T923-L946 WeakPolarHBondContact CB-O 3.35Å; T923-L946 PolarHBondContact N-O 3.37Å; T923-L946 PolarHBondContact O-N 3.11Å; T923-L946 PolarHBondContact OG1-O 3.14Å; V944-L946 HydrophobicContact CG1-CD1 4.32Å; V944-L946 HydrophobicContact CG1-CG 4.45Å; L946-K948 HydrophobicContact CD2-CG 4.24Å; L946-T966 HydrophobicContact CD2-CG2 3.75Å; L946-T966 HydrophobicContact CG-CG2 4.12Å
947	G	55.5	Low	54.8	Low	2 Å²	2	82.8 Å²	82.8	2%	0.021	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129.3	164.4	0	0	0	0	0	110.3	K921 F965	K921-G947 WeakPolarHBondContact O-CA 3.26Å; G947-F965 PolarHBondContact N-O 3.41Å
948	K	54.5	Low	54	Low	138 Å²	138	86.3 Å²	86.3	60%	0.6	44%	0.441	S	S	*	.			trans	-141.5	142.6	179.7	-87.7	-171.2	171.3	-176.6	0	112.2	L946	L946-K948 HydrophobicContact CD2-CG 4.24Å
949	D	52.5	Low	53.2	Low	93 Å²	93	88.7 Å²	88.7	50%	0.497	45%	0.453	S	S	.	.			trans	-83.1	144.2	-170.4	-52.7	-44	0	0	0	114.1	P962 T964	D949-P962 HydrophobicContact CB-CB 4.33Å; D949-P962 WeakPolarHBondContact OD1-CB 3.37Å; D949-T964 VanDerWaalsContact OD2-CG2 3.25Å; D949-T964 WeakPolarHBondContact OD2-CG2 3.25Å
950	S	36.5	Very low	52.1	Low	76 Å²	76	91.3 Å²	91.3	53%	0.531	47%	0.466	S	S	.	.			trans	-164.7	85.1	159.6	64.1	0	0	0	0	111.6
951	W	38	Very low	51	Low	161 Å²	161	96 Å²	96	61%	0.61	48%	0.483	S	S	*	.			trans	-139.7	127.8	165.3	-77.1	109.7	0	0	0	110.7	K840 T902	K840-W951 HydrophobicContact CD-CH2 4.46Å; T902-W951 HydrophobicContact CG2-CZ2 4.48Å
952	T	30.6	Very low	49.6	Very low	137 Å²	137	99.7 Å²	99.7	84%	0.84	51%	0.507	S	S	*	.			trans	-146.2	96.7	176.3	51.8	0	0	0	0	109.1
953	L	30.6	Very low	48.5	Very low	170 Å²	170	98.5 Å²	98.5	89%	0.89	50%	0.504	S	S	*	.			trans	-159.2	100.8	178.5	-159.2	77.2	0	0	0	113.3
954	G	30.1	Very low	47.8	Very low	62 Å²	62	99.9 Å²	99.9	64%	0.639	51%	0.513	S	S	*	.			trans	67.4	91.9	152.7	0	0	0	0	0	119.9	E956	G954-E956 VanDerWaalsContact C-N 3.31Å; G954-E956 PolarHBondContact O-N 3.46Å
955	D	33.2	Very low	47.3	Very low	178 Å²	178	100.5 Å²	100.5	95%	0.952	51%	0.512	S	S	*	.	S	Bend	trans	49.2	-11.4	143.9	-65.4	0.1	0	0	0	123.6
956	E	37.4	Very low	47.5	Very low	185 Å²	185	100.1 Å²	100.1	86%	0.864	52%	0.515	S	S	*	.			trans	-107.9	107.8	-171.5	-63.9	-164	155.2	0	0	115.4	G954	G954-E956 VanDerWaalsContact C-N 3.31Å; G954-E956 PolarHBondContact O-N 3.46Å
957	R	45.4	Very low	47.9	Very low	154 Å²	154	99.5 Å²	99.5	58%	0.581	51%	0.512	S	S	*	.			trans	20.1	102.2	166.1	-63.3	-171.5	-175.5	178.4	4.5	118.5	L959 E1000 D1001	R957-L959 PolarHBondContact O-N 3.5Å; R957-E1000 IonicContact CZ-OE2 3.55Å; R957-E1000 IonicContact NH1-OE2 2.66Å; R957-E1000 PolarHBondContact NH1-OE2 3.01Å; R957-E1000 IonicContact NH2-OE2 2.77Å; R957-E1000 PolarHBondContact NH2-OE2 2.78Å; R957-D1001 IonicContact NH1-OD1 3.02Å; R957-D1001 PolarHBondContact NH1-OD1 3.11Å
958	E	47	Very low	48.6	Very low	146 Å²	146	99.9 Å²	99.9	68%	0.682	51%	0.514	S	S	*	.			trans	-72.8	116.1	166.6	-62.8	-177.5	155.8	0	0	112.7
959	L	51.4	Low	49.7	Very low	49 Å²	49	94.4 Å²	94.4	26%	0.257	49%	0.492	S	S	.	.	S	Bend	trans	-87.4	-21.6	176.4	-68.9	167.8	0	0	0	113.9	L917 R957 R996 L997 D1001	L917-L959 HydrophobicContact CD1-CB 4.24Å; L917-L959 HydrophobicContact CD1-CD1 3.69Å; R957-L959 PolarHBondContact O-N 3.5Å; L959-R996 PolarHBondContact O-N 3.12Å; L959-L997 HydrophobicContact CD2-CD2 4.1Å; L959-D1001 HydrophobicContact CD2-CB 3.49Å; L959-D1001 VanDerWaalsContact CD2-CB 3.49Å
960	L	48.7	Very low	50.9	Low	73 Å²	73	91.2 Å²	91.2	38%	0.382	48%	0.476	S	S	.	.	B	Isolated β-bridge	trans	-152.9	128.6	-171.4	-141.4	141.6	0	0	0	107.8	I963 E994 I995	L960-I963 HydrophobicContact CD2-CD1 3.79Å; L960-I963 HydrophobicContact CD2-CG1 4.26Å; L960-E994 WeakPolarHBondContact CA-O 3.09Å; L960-I995 HydrophobicContact CD1-CG1 3.98Å; L960-I995 HydrophobicContact CG-CG1 3.98Å
961	R	56.2	Low	52.8	Low	117 Å²	117	92 Å²	92	44%	0.442	47%	0.467	S	S	.	.			trans	-67.1	151.7	175.9	-94.2	-169	167.6	152.8	-1.1	111.3	I963 E992 E994	R961-I963 PolarHBondContact O-N 3.46Å; R961-E992 IonicContact NH1-OE2 3.62Å; R961-E994 HydrophobicContact CB-CB 4.19Å; R961-E994 VanDerWaalsContact CD-OE2 3.32Å; R961-E994 WeakPolarHBondContact CD-OE2 3.42Å; R961-E994 HydrophobicContact CG-CB 4.28Å; R961-E994 IonicContact CZ-OE2 3.26Å; R961-E994 PolarHBondContact N-O 2.96Å; R961-E994 IonicContact NE-OE2 2.79Å; R961-E994 PolarHBondContact NE-OE2 2.83Å; R961-E994 IonicContact NH1-OE2 2.86Å; R961-E994 PolarHBondContact NH1-OE2 3.07Å; R961-E994 IonicContact NH2-OE2 2.78Å
962	P	49.6	Very low	54.7	Low	78 Å²	78	84.6 Å²	84.6	51%	0.506	44%	0.44	S	S	.	.			trans	-55.9	130.2	169	-23	33.9	0	0	0	111.4	D949	D949-P962 HydrophobicContact CB-CB 4.33Å; D949-P962 WeakPolarHBondContact OD1-CB 3.37Å
963	I	55.3	Low	56.6	Low	57 Å²	57	80.1 Å²	80.1	29%	0.292	41%	0.41	S	S	.	.			trans	-101	109.9	-178	-63	169.8	0	0	0	109.4	L960 R961 L990 I993	L960-I963 HydrophobicContact CD2-CD1 3.79Å; L960-I963 HydrophobicContact CD2-CG1 4.26Å; R961-I963 PolarHBondContact O-N 3.46Å; I963-L990 HydrophobicContact CG2-CD1 3.8Å; I963-L990 HydrophobicContact CG2-CD2 3.72Å; I963-L990 HydrophobicContact CG2-CG 3.81Å; I963-I993 HydrophobicContact CD1-CG1 4.07Å; I963-I993 HydrophobicContact CD1-CG2 4.18Å; I963-I993 HydrophobicContact CG1-CG1 4.43Å
964	T	58.2	Low	58.4	Low	50 Å²	50	72.1 Å²	72.1	31%	0.307	37%	0.369	S	S	.	.			trans	-84.9	145.9	166.5	45.9	0	0	0	0	110.7	D949 P991	D949-T964 VanDerWaalsContact OD2-CG2 3.25Å; D949-T964 WeakPolarHBondContact OD2-CG2 3.25Å; T964-P991 WeakPolarHBondContact O-CD 3.3Å
965	F	59.7	Low	60.4	Low	62 Å²	62	69.9 Å²	69.9	27%	0.272	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	158.7	176.4	62.8	-87.7	0	0	0	111.7	L922 G947 I967 R989 L990	L922-F965 HydrophobicContact CD1-CE2 3.92Å; L922-F965 HydrophobicContact CD1-CZ 3.78Å; G947-F965 PolarHBondContact N-O 3.41Å; F965-I967 HydrophobicContact CD2-CG1 4.37Å; F965-R989 WeakPolarHBondContact CA-O 3.43Å; F965-L990 HydrophobicContact CB-CB 4.17Å; F965-L990 HydrophobicContact CB-CD1 3.99Å; F965-L990 HydrophobicContact CB-CG 3.93Å
966	T	67.2	Low	61.9	Low	57 Å²	57	65.9 Å²	65.9	35%	0.35	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.3	173.8	57.6	0	0	0	0	109.8	F945 L946 G988 R989	F945-T966 WeakPolarHBondContact O-CA 3.46Å; L946-T966 HydrophobicContact CD2-CG2 3.75Å; L946-T966 HydrophobicContact CG-CG2 4.12Å; T966-G988 CarbonylContact O-C 3.54Å; T966-G988 WeakPolarHBondContact O-CA 3.42Å; T966-R989 PolarHBondContact N-O 3.48Å; T966-R989 PolarHBondContact O-N 3.07Å
967	I	67.7	Low	63.3	Low	44 Å²	44	62.7 Å²	62.7	23%	0.226	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	123.1	168.8	-48.6	173.3	0	0	0	107.4	V944 F945 F965 V986 E987 F1061	V944-I967 CarbonylContact C-O 3.48Å; V944-I967 WeakPolarHBondContact CA-O 3.5Å; F945-I967 HydrophobicContact CB-CB 4.05Å; F945-I967 HydrophobicContact CD2-CB 4.14Å; F945-I967 WeakPolarHBondContact CD2-O 3.3Å; F945-I967 HydrophobicContact CG-CB 4.34Å; F945-I967 PolarHBondContact N-O 2.89Å; F945-I967 PolarHBondContact O-N 3.23Å; F965-I967 HydrophobicContact CD2-CG1 4.37Å; I967-V986 HydrophobicContact CG2-CG1 3.87Å; I967-E987 CarbonylContact C-O 3.57Å; I967-E987 WeakPolarHBondContact CA-O 3.38Å; I967-F1061 HydrophobicContact CD1-CE1 4.44Å; I967-F1061 HydrophobicContact CG2-CE1 4.44Å
968	S	70.2	Confident	64.5	Low	11 Å²	11	57.6 Å²	57.6	8%	0.077	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	148.7	169.8	-159.2	0	0	0	0	110.9	K942 I943 V986 E987	K942-S968 VanDerWaalsContact CE-OG 3.22Å; K942-S968 WeakPolarHBondContact CE-OG 3.46Å; K942-S968 WeakPolarHBondContact CG-OG 3.25Å; I943-S968 CarbonylContact O-C 3.51Å; I943-S968 WeakPolarHBondContact O-CA 3.44Å; I943-S968 PolarHBondContact O-OG 2.68Å; S968-V986 CarbonylContact O-C 3.47Å; S968-V986 VanDerWaalsContact O-CA 3.28Å; S968-V986 WeakPolarHBondContact O-CA 3.46Å; S968-E987 PolarHBondContact N-O 2.95Å; S968-E987 PolarHBondContact O-N 2.85Å
969	V	78.3	Confident	65.6	Low	23 Å²	23	55.3 Å²	55.3	14%	0.139	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	111	172.2	-178.4	0	0	0	0	108.1	I943 F945 R971 I984 A985 V986	I943-V969 HydrophobicContact CB-CB 4.13Å; I943-V969 HydrophobicContact CD1-CB 4.46Å; I943-V969 HydrophobicContact CG1-CB 4.47Å; I943-V969 PolarHBondContact N-O 2.82Å; I943-V969 PolarHBondContact O-N 2.76Å; F945-V969 HydrophobicContact CE2-CG2 4.07Å; V969-R971 HydrophobicContact CG1-CG 4.38Å; V969-I984 HydrophobicContact CG1-CG2 3.76Å; V969-A985 CarbonylContact C-O 3.57Å; V969-A985 VanDerWaalsContact CA-O 3.26Å; V969-A985 WeakPolarHBondContact CA-O 3.25Å; V969-V986 HydrophobicContact CG1-CG2 4.19Å; V969-V986 HydrophobicContact CG2-CG1 4.16Å; V969-V986 HydrophobicContact CG2-CG2 4.15Å
970	V	78.7	Confident	66.7	Low	26 Å²	26	58.4 Å²	58.4	16%	0.158	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117	179.1	-177.8	0	0	0	0	109.3	L940 D941 K942 I984 A985	L940-V970 HydrophobicContact CB-CG1 4.11Å; D941-V970 CarbonylContact O-C 3.42Å; D941-V970 VanDerWaalsContact O-CA 3.32Å; D941-V970 WeakPolarHBondContact O-CA 3.31Å; K942-V970 HydrophobicContact CB-CG2 4.17Å; K942-V970 HydrophobicContact CD-CG2 4.35Å; K942-V970 HydrophobicContact CG-CG2 3.93Å; V970-I984 CarbonylContact O-C 3.58Å; V970-I984 WeakPolarHBondContact O-CA 3.08Å; V970-A985 HydrophobicContact CB-CB 4.28Å; V970-A985 PolarHBondContact N-O 2.83Å; V970-A985 PolarHBondContact O-N 3.42Å
971	R	75.2	Confident	67.8	Low	92 Å²	92	56.7 Å²	56.7	35%	0.347	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124	175.8	-54.8	-168.3	-69	174.3	-3.3	109.9	L940 D941 V969 L973 R983 I984	L940-R971 WeakPolarHBondContact CA-O 3.35Å; D941-R971 HydrophobicContact CB-CB 4.32Å; D941-R971 PolarHBondContact N-O 2.71Å; D941-R971 PolarHBondContact O-N 2.72Å; D941-R971 IonicContact OD2-CZ 2.78Å; D941-R971 IonicContact OD2-NE 3.03Å; D941-R971 PolarHBondContact OD2-NE 3.38Å; D941-R971 IonicContact OD2-NH2 3.27Å; D941-R971 PolarHBondContact OD2-NH2 2.71Å; V969-R971 HydrophobicContact CG1-CG 4.38Å; R971-L973 HydrophobicContact CB-CD2 4.46Å; R971-L973 PolarHBondContact O-N 3.04Å; R971-R983 WeakPolarHBondContact CA-O 3.42Å; R971-I984 HydrophobicContact CG-CG1 4.38Å
972	N	78.1	Confident	68.5	Low	6 Å²	6	52.4 Å²	52.4	3%	0.032	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	103	175.1	177.8	6.1	0	0	0	109.4	L940 S974 F975 Y978 V981 P982 R983	L940-N972 HydrophobicContact CD2-CB 3.79Å; N972-S974 PolarHBondContact O-N 2.79Å; N972-S974 PolarHBondContact OD1-N 2.92Å; N972-F975 PolarHBondContact OD1-N 3.49Å; N972-Y978 PolarHBondContact ND2-O 3.4Å; N972-V981 HydrophobicContact CB-CG1 4.22Å; N972-V981 PolarHBondContact ND2-O 3.03Å; N972-P982 WeakPolarHBondContact CB-O 3.42Å; N972-R983 PolarHBondContact N-O 3.33Å
973	L	70.8	Confident	69.7	Low	42 Å²	42	52.1 Å²	52.1	22%	0.22	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.2	-178.9	-54.7	179.3	0	0	0	112.7	I891 F928 V939 D941 R971	I891-L973 WeakPolarHBondContact CD1-O 3.38Å; I891-L973 HydrophobicContact CG2-CB 3.85Å; I891-L973 HydrophobicContact CG2-CD1 3.88Å; I891-L973 HydrophobicContact CG2-CG 4.37Å; F928-L973 HydrophobicContact CE1-CD1 4.14Å; V939-L973 HydrophobicContact CB-CB 4.4Å; V939-L973 HydrophobicContact CG1-CD1 4.11Å; V939-L973 WeakPolarHBondContact O-CB 3.17Å; V939-L973 PolarHBondContact O-N 3.23Å; D941-L973 HydrophobicContact CB-CD1 4.21Å; D941-L973 HydrophobicContact CB-CG 4.45Å; R971-L973 HydrophobicContact CB-CD2 4.46Å; R971-L973 PolarHBondContact O-N 3.04Å
974	S	67.7	Low	70.6	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.021	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	18.7	-179.8	-57.7	0	0	0	0	112.7	V938 V939 N972 D976 F977 Y978	V938-S974 WeakPolarHBondContact CA-OG 3.32Å; V939-S974 PolarHBondContact N-OG 3.2Å; N972-S974 PolarHBondContact O-N 2.79Å; N972-S974 PolarHBondContact OD1-N 2.92Å; S974-D976 PolarHBondContact O-N 2.98Å; S974-D976 VanDerWaalsContact O-N 3.15Å; S974-F977 PolarHBondContact O-N 3.2Å; S974-Y978 PolarHBondContact O-N 2.88Å
975	F	72.8	Confident	71.5	Confident	15 Å²	15	50.7 Å²	50.7	7%	0.066	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.3	-173.5	-177.4	-101	0	0	0	113.9	N972 F977 Y978 Q979 R983 E1056	N972-F975 PolarHBondContact OD1-N 3.49Å; F975-F977 PolarHBondContact O-N 2.89Å; F975-F977 VanDerWaalsContact O-N 3.16Å; F975-Y978 PolarHBondContact O-N 3.27Å; F975-Q979 HydrophobicContact CD2-CG 4.5Å; F975-Q979 HydrophobicContact CE2-CB 4.27Å; F975-Q979 HydrophobicContact CE2-CG 4.23Å; F975-Q979 HydrophobicContact CZ-CG 4.28Å; F975-Q979 WeakPolarHBondContact O-CG 3.38Å; F975-R983 HydrophobicContact CB-CB 4.43Å; F975-R983 HydrophobicContact CB-CG 3.95Å; F975-R983 HydrophobicContact CD1-CB 4.32Å; F975-R983 HydrophobicContact CD1-CG 4.08Å; F975-R983 HydrophobicContact CD2-CB 3.92Å; F975-R983 HydrophobicContact CD2-CG 4.33Å; F975-R983 HydrophobicContact CE2-CB 4.26Å; F975-R983 HydrophobicContact CG-CB 3.96Å; F975-R983 HydrophobicContact CG-CG 3.85Å; F975-E1056 HydrophobicContact CE1-CG 3.95Å; F975-E1056 HydrophobicContact CZ-CG 3.69Å
976	D	65.3	Low	72.3	Confident	94 Å²	94	48.4 Å²	48.4	50%	0.503	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.5	-177.4	-55.8	-63.8	0	0	0	113.1	Q887 S974 R983	Q887-D976 PolarHBondContact NE2-OD1 2.97Å; S974-D976 PolarHBondContact O-N 2.98Å; S974-D976 VanDerWaalsContact O-N 3.15Å; D976-R983 IonicContact OD1-NH2 2.71Å
977	F	65.6	Low	72.9	Confident	118 Å²	118	51 Å²	51	52%	0.518	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-17.5	172.6	72.9	-93.8	0	0	0	115	V938 S974 F975	V938-F977 HydrophobicContact CG2-CE2 3.73Å; V938-F977 HydrophobicContact CG2-CZ 4.03Å; S974-F977 PolarHBondContact O-N 3.2Å; F975-F977 PolarHBondContact O-N 2.89Å; F975-F977 VanDerWaalsContact O-N 3.16Å
978	Y	71.8	Confident	73	Confident	47 Å²	47	49 Å²	49	18%	0.184	25%	0.247	C	C	.	.			trans	-124.9	88	179.5	-173.3	-106.2	0	0	0	111.9	L933 V938 N972 S974 F975 T980 V981	L933-Y978 HydrophobicContact CD1-CD2 3.55Å; L933-Y978 HydrophobicContact CD1-CE2 3.65Å; L933-Y978 HydrophobicContact CD1-CG 4.34Å; V938-Y978 HydrophobicContact CB-CD1 4.3Å; V938-Y978 HydrophobicContact CB-CG 4.49Å; V938-Y978 HydrophobicContact CG1-CD1 3.64Å; V938-Y978 HydrophobicContact CG1-CE1 4.07Å; V938-Y978 HydrophobicContact CG1-CG 4.28Å; V938-Y978 VanDerWaalsContact CG2-CB 3.43Å; V938-Y978 HydrophobicContact CG2-CD1 3.75Å; V938-Y978 HydrophobicContact CG2-CD2 4.04Å; V938-Y978 HydrophobicContact CG2-CE1 4.47Å; V938-Y978 HydrophobicContact CG2-CG 3.48Å; V938-Y978 VanDerWaalsContact CG2-CG 3.48Å; N972-Y978 PolarHBondContact ND2-O 3.4Å; S974-Y978 PolarHBondContact O-N 2.88Å; F975-Y978 PolarHBondContact O-N 3.27Å; Y978-T980 WeakPolarHBondContact CE2-OG1 3.22Å; Y978-V981 HydrophobicContact CE1-CB 4.37Å; Y978-V981 HydrophobicContact CE1-CG2 3.88Å
979	Q	69.3	Low	73.2	Confident	98 Å²	98	55.4 Å²	55.4	46%	0.458	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	3.1	-173.5	-61.3	174.8	11.1	0	0	114.1	F975 V981 T1054	F975-Q979 HydrophobicContact CD2-CG 4.5Å; F975-Q979 HydrophobicContact CE2-CB 4.27Å; F975-Q979 HydrophobicContact CE2-CG 4.23Å; F975-Q979 HydrophobicContact CZ-CG 4.28Å; F975-Q979 WeakPolarHBondContact O-CG 3.38Å; Q979-V981 VanDerWaalsContact C-N 3.28Å; Q979-V981 PolarHBondContact O-N 2.86Å; Q979-T1054 HydrophobicContact CB-CG2 3.96Å
980	T	74	Confident	72.8	Confident	114 Å²	114	56.3 Å²	56.3	70%	0.699	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-27.5	-178.9	-44	0	0	0	0	113	Y978	Y978-T980 WeakPolarHBondContact CE2-OG1 3.22Å
981	V	71.9	Confident	72.5	Confident	36 Å²	36	57.2 Å²	57.2	22%	0.218	28%	0.279	C	S	.	.	S	Bend	trans	-108.9	130.7	172.7	175.5	0	0	0	0	107.3	L940 N972 Y978 Q979	L940-V981 HydrophobicContact CD2-CG1 4.29Å; N972-V981 HydrophobicContact CB-CG1 4.22Å; N972-V981 PolarHBondContact ND2-O 3.03Å; Y978-V981 HydrophobicContact CE1-CB 4.37Å; Y978-V981 HydrophobicContact CE1-CG2 3.88Å; Q979-V981 VanDerWaalsContact C-N 3.28Å; Q979-V981 PolarHBondContact O-N 2.86Å
982	P	70.3	Confident	72.3	Confident	28 Å²	28	55.7 Å²	55.7	18%	0.182	28%	0.276	C	S	.	.			trans	-59.5	153	179.3	26.9	-36.2	0	0	0	111	N972 I984 A985 V1055 K1058	N972-P982 WeakPolarHBondContact CB-O 3.42Å; P982-I984 PolarHBondContact O-N 3.26Å; P982-A985 HydrophobicContact CG-CB 4.12Å; P982-V1055 WeakPolarHBondContact CB-O 3.38Å; P982-K1058 HydrophobicContact CG-CB 4.15Å
983	R	76.3	Confident	71.7	Confident	71 Å²	71	57 Å²	57	27%	0.268	28%	0.283	S	S	.	.	S	Bend	trans	-55.2	-36.3	-179.4	-153.1	171.3	-161.7	165.2	10	112.1	Q887 R971 N972 F975 D976 E1056	Q887-R983 VanDerWaalsContact NE2-NH2 3.13Å; R971-R983 WeakPolarHBondContact CA-O 3.42Å; N972-R983 PolarHBondContact N-O 3.33Å; F975-R983 HydrophobicContact CB-CB 4.43Å; F975-R983 HydrophobicContact CB-CG 3.95Å; F975-R983 HydrophobicContact CD1-CB 4.32Å; F975-R983 HydrophobicContact CD1-CG 4.08Å; F975-R983 HydrophobicContact CD2-CB 3.92Å; F975-R983 HydrophobicContact CD2-CG 4.33Å; F975-R983 HydrophobicContact CE2-CB 4.26Å; F975-R983 HydrophobicContact CG-CB 3.96Å; F975-R983 HydrophobicContact CG-CG 3.85Å; D976-R983 IonicContact OD1-NH2 2.71Å; R983-E1056 WeakPolarHBondContact CA-O 3.46Å; R983-E1056 HydrophobicContact CB-CB 4.35Å; R983-E1056 WeakPolarHBondContact CB-O 3.32Å; R983-E1056 WeakPolarHBondContact CD-OE2 3.49Å; R983-E1056 IonicContact CZ-OE2 2.8Å; R983-E1056 PolarHBondContact N-O 3.02Å; R983-E1056 IonicContact NE-OE2 3.29Å; R983-E1056 IonicContact NH1-OE1 3.07Å; R983-E1056 IonicContact NH1-OE2 3.97Å; R983-E1056 PolarHBondContact NH1-OE2 3.21Å
984	I	74.1	Confident	71.4	Confident	59 Å²	59	56 Å²	56	30%	0.303	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	119.1	168.6	-54.4	179.8	0	0	0	110.3	V969 V970 R971 P982 V986 E1056 M1057 K1058	V969-I984 HydrophobicContact CG1-CG2 3.76Å; V970-I984 CarbonylContact O-C 3.58Å; V970-I984 WeakPolarHBondContact O-CA 3.08Å; R971-I984 HydrophobicContact CG-CG1 4.38Å; P982-I984 PolarHBondContact O-N 3.26Å; I984-V986 HydrophobicContact CG2-CG2 4.21Å; I984-E1056 PolarHBondContact N-O 2.98Å; I984-M1057 HydrophobicContact CB-CG 4.16Å; I984-M1057 HydrophobicContact CG2-CE 4.48Å; I984-M1057 HydrophobicContact CG2-CG 4.48Å; I984-M1057 CarbonylContact O-C 3.54Å; I984-M1057 VanDerWaalsContact O-CA 3.23Å; I984-M1057 WeakPolarHBondContact O-CA 3.42Å; I984-K1058 PolarHBondContact O-N 3.22Å
985	A	77.2	Confident	71.2	Confident	18 Å²	18	57.9 Å²	57.9	15%	0.149	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	148.2	162.7	0	0	0	0	0	111	V969 V970 P982 K1058	V969-A985 CarbonylContact C-O 3.57Å; V969-A985 VanDerWaalsContact CA-O 3.26Å; V969-A985 WeakPolarHBondContact CA-O 3.25Å; V970-A985 HydrophobicContact CB-CB 4.28Å; V970-A985 PolarHBondContact N-O 2.83Å; V970-A985 PolarHBondContact O-N 3.42Å; P982-A985 HydrophobicContact CG-CB 4.12Å; A985-K1058 CarbonylContact C-O 3.35Å; A985-K1058 WeakPolarHBondContact CA-O 3.32Å
986	V	75.4	Confident	70.6	Confident	15 Å²	15	62 Å²	62	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.5	173.3	-176.7	0	0	0	0	109.3	I967 S968 V969 I984 M1057 K1058 A1059 L1060 F1061	I967-V986 HydrophobicContact CG2-CG1 3.87Å; S968-V986 CarbonylContact O-C 3.47Å; S968-V986 VanDerWaalsContact O-CA 3.28Å; S968-V986 WeakPolarHBondContact O-CA 3.46Å; V969-V986 HydrophobicContact CG1-CG2 4.19Å; V969-V986 HydrophobicContact CG2-CG1 4.16Å; V969-V986 HydrophobicContact CG2-CG2 4.15Å; I984-V986 HydrophobicContact CG2-CG2 4.21Å; V986-M1057 HydrophobicContact CG2-CE 4.02Å; V986-K1058 PolarHBondContact N-O 3.47Å; V986-A1059 HydrophobicContact CB-CB 3.78Å; V986-A1059 HydrophobicContact CG1-CB 4.45Å; V986-A1059 HydrophobicContact CG2-CB 4.36Å; V986-A1059 CarbonylContact O-C 3.45Å; V986-A1059 VanDerWaalsContact O-CA 3.29Å; V986-A1059 WeakPolarHBondContact O-CA 3.47Å; V986-L1060 PolarHBondContact O-N 3.29Å; V986-F1061 HydrophobicContact CG1-CE2 4.21Å; V986-F1061 HydrophobicContact CG1-CZ 3.98Å
987	E	79.8	Confident	70.3	Confident	110 Å²	110	58.5 Å²	58.5	51%	0.514	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	95.7	-177.8	-66.1	-176.6	165.4	0	0	110.7	I967 S968 L1060	I967-E987 CarbonylContact C-O 3.57Å; I967-E987 WeakPolarHBondContact CA-O 3.38Å; S968-E987 PolarHBondContact N-O 2.95Å; S968-E987 PolarHBondContact O-N 2.85Å; E987-L1060 CarbonylContact C-O 3.42Å; E987-L1060 WeakPolarHBondContact CA-O 3.46Å
988	G	70.8	Confident	70	Confident	3 Å²	3	54.3 Å²	54.3	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	140.5	170.6	0	0	0	0	0	112.7	T966 L1060 F1061 A1062	T966-G988 CarbonylContact O-C 3.54Å; T966-G988 WeakPolarHBondContact O-CA 3.42Å; G988-L1060 PolarHBondContact N-O 3.27Å; G988-F1061 WeakPolarHBondContact O-CA 3.46Å; G988-A1062 PolarHBondContact O-N 2.86Å
989	R	74.5	Confident	69	Low	146 Å²	146	54.4 Å²	54.4	55%	0.551	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.3	166.6	-66.1	-168	177.2	-143.9	0.3	111.4	F965 T966 A1062	F965-R989 WeakPolarHBondContact CA-O 3.43Å; T966-R989 PolarHBondContact N-O 3.48Å; T966-R989 PolarHBondContact O-N 3.07Å; R989-A1062 CarbonylContact C-O 3.46Å; R989-A1062 WeakPolarHBondContact CA-O 3.44Å; R989-A1062 HydrophobicContact CG-CB 4.41Å
990	L	69.4	Low	68.2	Low	41 Å²	41	52.9 Å²	52.9	22%	0.215	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	114.8	177.1	-165.9	154.5	0	0	0	108.4	I963 F965 I993 A1062 L1063 E1064	I963-L990 HydrophobicContact CG2-CD1 3.8Å; I963-L990 HydrophobicContact CG2-CD2 3.72Å; I963-L990 HydrophobicContact CG2-CG 3.81Å; F965-L990 HydrophobicContact CB-CB 4.17Å; F965-L990 HydrophobicContact CB-CD1 3.99Å; F965-L990 HydrophobicContact CB-CG 3.93Å; L990-I993 HydrophobicContact CD2-CD1 3.87Å; L990-I993 HydrophobicContact CD2-CG1 3.46Å; L990-I993 VanDerWaalsContact CD2-CG1 3.46Å; L990-A1062 PolarHBondContact N-O 3.46Å; L990-L1063 HydrophobicContact CB-CD1 4.17Å; L990-L1063 HydrophobicContact CD2-CD1 3.46Å; L990-L1063 VanDerWaalsContact CD2-CD1 3.46Å; L990-L1063 HydrophobicContact CG-CD1 4.38Å; L990-L1063 VanDerWaalsContact O-CA 3.31Å; L990-L1063 WeakPolarHBondContact O-CA 3.22Å; L990-L1063 VanDerWaalsContact O-CD1 3.29Å; L990-L1063 WeakPolarHBondContact O-CD1 3.34Å; L990-E1064 PolarHBondContact O-N 2.68Å; L990-E1064 VanDerWaalsContact O-N 3.14Å
991	P	73	Confident	67.3	Low	46 Å²	46	48.6 Å²	48.6	30%	0.299	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-64.6	-170	-22.3	35.3	0	0	0	113.6	T964 E1064 R1065	T964-P991 WeakPolarHBondContact O-CD 3.3Å; P991-E1064 CarbonylContact O-C 3.45Å; P991-E1064 WeakPolarHBondContact O-CB 3.36Å; P991-E1064 PolarHBondContact O-N 2.9Å; P991-R1065 PolarHBondContact O-N 3.44Å
992	E	70.8	Confident	66.6	Low	59 Å²	59	50.9 Å²	50.9	28%	0.276	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.6	-171.5	-171.6	166.7	-111.7	0	0	112	R961 R1065	R961-E992 IonicContact NH1-OE2 3.62Å; E992-R1065 CarbonylContact C-O 3.59Å; E992-R1065 WeakPolarHBondContact CA-O 3.3Å; E992-R1065 HydrophobicContact CG-CB 4.32Å; E992-R1065 WeakPolarHBondContact OE1-CD 3.34Å; E992-R1065 IonicContact OE1-CZ 3.3Å; E992-R1065 IonicContact OE1-NE 3.55Å; E992-R1065 IonicContact OE1-NH1 2.76Å; E992-R1065 PolarHBondContact OE1-NH1 3.41Å
993	I	64.6	Low	65.7	Low	35 Å²	35	52.9 Å²	52.9	18%	0.179	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	105.5	166.3	-58.3	179.1	0	0	0	107.1	I963 L990 I995 L1063 R1065 I1066 S1067	I963-I993 HydrophobicContact CD1-CG1 4.07Å; I963-I993 HydrophobicContact CD1-CG2 4.18Å; I963-I993 HydrophobicContact CG1-CG1 4.43Å; L990-I993 HydrophobicContact CD2-CD1 3.87Å; L990-I993 HydrophobicContact CD2-CG1 3.46Å; L990-I993 VanDerWaalsContact CD2-CG1 3.46Å; I993-I995 HydrophobicContact CG2-CD1 4.25Å; I993-I995 HydrophobicContact CG2-CG1 4.21Å; I993-L1063 HydrophobicContact CD1-CD1 4.28Å; I993-L1063 HydrophobicContact CD1-CD2 4.33Å; I993-L1063 HydrophobicContact CG1-CD1 4.3Å; I993-R1065 PolarHBondContact N-O 3.4Å; I993-I1066 CarbonylContact O-C 3.6Å; I993-S1067 PolarHBondContact O-N 3.44Å
994	E	65.1	Low	64.7	Low	19 Å²	19	50.7 Å²	50.7	9%	0.089	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121	175	-168	179.8	-177.3	0	0	111.3	L960 R961 R996 S1067	L960-E994 WeakPolarHBondContact CA-O 3.09Å; R961-E994 HydrophobicContact CB-CB 4.19Å; R961-E994 VanDerWaalsContact CD-OE2 3.32Å; R961-E994 WeakPolarHBondContact CD-OE2 3.42Å; R961-E994 HydrophobicContact CG-CB 4.28Å; R961-E994 IonicContact CZ-OE2 3.26Å; R961-E994 PolarHBondContact N-O 2.96Å; R961-E994 IonicContact NE-OE2 2.79Å; R961-E994 PolarHBondContact NE-OE2 2.83Å; R961-E994 IonicContact NH1-OE2 2.86Å; R961-E994 PolarHBondContact NH1-OE2 3.07Å; R961-E994 IonicContact NH2-OE2 2.78Å; E994-R996 HydrophobicContact CG-CG 4.46Å; E994-R996 IonicContact OE1-CZ 3.72Å; E994-R996 IonicContact OE1-NE 2.77Å; E994-R996 PolarHBondContact OE1-NE 3.38Å; E994-R996 IonicContact OE1-NH2 3.12Å; E994-R996 PolarHBondContact OE1-NH2 3.37Å; E994-R996 IonicContact OE2-NH2 3.28Å; E994-S1067 WeakPolarHBondContact CA-O 3.08Å
995	I	62.5	Low	63.8	Low	43 Å²	43	51.1 Å²	51.1	22%	0.221	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.2	-179.8	-63.4	170.5	0	0	0	108.9	L960 I993 L997 S1067 V1068 T1069	L960-I995 HydrophobicContact CD1-CG1 3.98Å; L960-I995 HydrophobicContact CG-CG1 3.98Å; I993-I995 HydrophobicContact CG2-CD1 4.25Å; I993-I995 HydrophobicContact CG2-CG1 4.21Å; I995-L997 HydrophobicContact CG2-CD1 4.09Å; I995-L997 HydrophobicContact CG2-CD2 4.37Å; I995-L997 HydrophobicContact CG2-CG 3.96Å; I995-S1067 PolarHBondContact N-O 3.29Å; I995-V1068 HydrophobicContact CB-CG2 4.39Å; I995-V1068 HydrophobicContact CD1-CG2 4.3Å; I995-T1069 PolarHBondContact O-N 3.33Å
996	R	61.4	Low	62.7	Low	103 Å²	103	51.4 Å²	51.4	39%	0.389	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	116.7	-176.5	-74.8	-173	-177.1	-175.4	2.3	110.7	L959 E994 Y1071	L959-R996 PolarHBondContact O-N 3.12Å; E994-R996 HydrophobicContact CG-CG 4.46Å; E994-R996 IonicContact OE1-CZ 3.72Å; E994-R996 IonicContact OE1-NE 2.77Å; E994-R996 PolarHBondContact OE1-NE 3.38Å; E994-R996 IonicContact OE1-NH2 3.12Å; E994-R996 PolarHBondContact OE1-NH2 3.37Å; E994-R996 IonicContact OE2-NH2 3.28Å; R996-Y1071 HydrophobicContact CB-CE2 3.9Å; R996-Y1071 HydrophobicContact CG-CE2 4.02Å
997	L	58.1	Low	61.8	Low	19 Å²	19	51.5 Å²	51.5	10%	0.099	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	120.6	-173	-56.8	173.2	0	0	0	111.5	L959 I995 D1001 L1005 T1069 L1070 Y1071	L959-L997 HydrophobicContact CD2-CD2 4.1Å; I995-L997 HydrophobicContact CG2-CD1 4.09Å; I995-L997 HydrophobicContact CG2-CD2 4.37Å; I995-L997 HydrophobicContact CG2-CG 3.96Å; L997-D1001 HydrophobicContact CD2-CB 4.44Å; L997-L1005 HydrophobicContact CD1-CD1 4Å; L997-L1005 HydrophobicContact CD2-CD1 3.69Å; L997-T1069 PolarHBondContact N-O 2.89Å; L997-L1070 HydrophobicContact CB-CD2 3.97Å; L997-L1070 HydrophobicContact CD1-CD2 3.95Å; L997-L1070 HydrophobicContact CG-CD2 4.42Å; L997-L1070 CarbonylContact O-C 3.48Å; L997-L1070 WeakPolarHBondContact O-CA 3.43Å; L997-Y1071 PolarHBondContact O-N 3.3Å
998	T	59.5	Low	60.6	Low	30 Å²	30	47.3 Å²	47.3	18%	0.184	24%	0.238	C	C	.	.			trans	-77.3	174.4	165.2	70.8	0	0	0	0	111.7	E1000 D1001 Y1002 Y1071	T998-E1000 VanDerWaalsContact C-N 3.25Å; T998-E1000 PolarHBondContact O-N 3.12Å; T998-E1000 PolarHBondContact OG1-N 3.28Å; T998-D1001 VanDerWaalsContact CB-OD2 3.22Å; T998-D1001 WeakPolarHBondContact CB-OD2 3.46Å; T998-D1001 VanDerWaalsContact CG2-OD2 3.27Å; T998-D1001 WeakPolarHBondContact CG2-OD2 3.23Å; T998-D1001 PolarHBondContact N-OD2 2.94Å; T998-D1001 PolarHBondContact O-N 2.86Å; T998-D1001 PolarHBondContact OG1-N 2.9Å; T998-D1001 PolarHBondContact OG1-OD2 2.89Å; T998-Y1002 WeakPolarHBondContact O-CB 3.29Å; T998-Y1002 PolarHBondContact O-N 3Å; T998-Y1071 CarbonylContact C-O 3.54Å; T998-Y1071 VanDerWaalsContact C-O 3.28Å; T998-Y1071 VanDerWaalsContact CA-O 3.3Å; T998-Y1071 WeakPolarHBondContact CA-O 3.48Å
999	S	50.4	Low	59.7	Low	50 Å²	50	48.4 Å²	48.4	35%	0.35	24%	0.244	S	C	.	.	H	α-helix	trans	-63.6	-28.4	171.3	52.2	0	0	0	0	113.6	S1003 Y1071 S1073	S999-S1003 WeakPolarHBondContact O-CB 3.01Å; S999-S1003 PolarHBondContact O-N 3.47Å; S999-S1003 PolarHBondContact O-OG 2.96Å; S999-Y1071 PolarHBondContact N-O 2.89Å; S999-S1073 WeakPolarHBondContact OG-CB 3.41Å; S999-S1073 PolarHBondContact OG-N 2.81Å
1000	E	53.7	Low	58.7	Low	65 Å²	65	43.6 Å²	43.6	30%	0.304	23%	0.232	S	C	.	.	H	α-helix	trans	-68.5	-50.3	169.8	-73.9	157	-142.6	0	0	110.1	R957 T998 Y1002 S1003 V1004 S1073	R957-E1000 IonicContact CZ-OE2 3.55Å; R957-E1000 IonicContact NH1-OE2 2.66Å; R957-E1000 PolarHBondContact NH1-OE2 3.01Å; R957-E1000 IonicContact NH2-OE2 2.77Å; R957-E1000 PolarHBondContact NH2-OE2 2.78Å; T998-E1000 VanDerWaalsContact C-N 3.25Å; T998-E1000 PolarHBondContact O-N 3.12Å; T998-E1000 PolarHBondContact OG1-N 3.28Å; E1000-Y1002 VanDerWaalsContact C-N 3.33Å; E1000-Y1002 PolarHBondContact O-N 3.15Å; E1000-S1003 PolarHBondContact O-N 3.23Å; E1000-S1003 VanDerWaalsContact O-N 3.08Å; E1000-S1003 PolarHBondContact O-OG 3.05Å; E1000-V1004 WeakPolarHBondContact O-CG2 3.36Å; E1000-V1004 PolarHBondContact O-N 3.4Å; E1000-S1073 WeakPolarHBondContact OE1-CB 3.21Å; E1000-S1073 PolarHBondContact OE1-OG 2.88Å
1001	D	54.4	Low	58.5	Low	25 Å²	25	46.2 Å²	46.2	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-66.1	-38.6	-177.5	-48.1	-45.7	0	0	0	111.2	R957 L959 L997 T998 V1004 L1005	R957-D1001 IonicContact NH1-OD1 3.02Å; R957-D1001 PolarHBondContact NH1-OD1 3.11Å; L959-D1001 HydrophobicContact CD2-CB 3.49Å; L959-D1001 VanDerWaalsContact CD2-CB 3.49Å; L997-D1001 HydrophobicContact CD2-CB 4.44Å; T998-D1001 VanDerWaalsContact CB-OD2 3.22Å; T998-D1001 WeakPolarHBondContact CB-OD2 3.46Å; T998-D1001 VanDerWaalsContact CG2-OD2 3.27Å; T998-D1001 WeakPolarHBondContact CG2-OD2 3.23Å; T998-D1001 PolarHBondContact N-OD2 2.94Å; T998-D1001 PolarHBondContact O-N 2.86Å; T998-D1001 PolarHBondContact OG1-N 2.9Å; T998-D1001 PolarHBondContact OG1-OD2 2.89Å; D1001-V1004 PolarHBondContact O-N 3.45Å; D1001-L1005 VanDerWaalsContact O-CB 3.27Å; D1001-L1005 WeakPolarHBondContact O-CB 3.48Å; D1001-L1005 PolarHBondContact O-N 3.34Å
1002	Y	57	Low	57.8	Low	84 Å²	84	44 Å²	44	33%	0.329	23%	0.229	S	C	.	.	H	α-helix	trans	-61	-43.2	170.2	-179.6	-90.2	0	0	0	111.2	T998 E1000 V1004 L1005 M1006	T998-Y1002 WeakPolarHBondContact O-CB 3.29Å; T998-Y1002 PolarHBondContact O-N 3Å; E1000-Y1002 VanDerWaalsContact C-N 3.33Å; E1000-Y1002 PolarHBondContact O-N 3.15Å; Y1002-V1004 VanDerWaalsContact C-N 3.32Å; Y1002-V1004 PolarHBondContact O-N 3.48Å; Y1002-L1005 PolarHBondContact O-N 2.92Å; Y1002-M1006 HydrophobicContact CD1-CG 3.89Å; Y1002-M1006 HydrophobicContact CD2-CE 4.02Å; Y1002-M1006 HydrophobicContact CD2-CG 4.39Å; Y1002-M1006 HydrophobicContact CE1-CE 4.42Å; Y1002-M1006 HydrophobicContact CE1-CG 3.57Å; Y1002-M1006 HydrophobicContact CE2-CE 3.34Å; Y1002-M1006 HydrophobicContact CE2-CG 4.12Å; Y1002-M1006 HydrophobicContact CE2-SD 4.46Å; Y1002-M1006 HydrophobicContact CG-CG 4.29Å; Y1002-M1006 WeakPolarHBondContact O-CB 3.23Å; Y1002-M1006 WeakPolarHBondContact O-CG 3.31Å; Y1002-M1006 PolarHBondContact O-N 2.84Å
1003	S	52.4	Low	57.2	Low	69 Å²	69	43.8 Å²	43.8	48%	0.483	23%	0.229	S	C	.	.	H	α-helix	trans	-67.1	-30.6	174.8	68.5	0	0	0	0	113.2	S999 E1000 A1007	S999-S1003 WeakPolarHBondContact O-CB 3.01Å; S999-S1003 PolarHBondContact O-N 3.47Å; S999-S1003 PolarHBondContact O-OG 2.96Å; E1000-S1003 PolarHBondContact O-N 3.23Å; E1000-S1003 VanDerWaalsContact O-N 3.08Å; E1000-S1003 PolarHBondContact O-OG 3.05Å; S1003-A1007 WeakPolarHBondContact O-CB 3.43Å; S1003-A1007 PolarHBondContact O-N 2.77Å
1004	V	54.4	Low	56.8	Low	26 Å²	26	43.4 Å²	43.4	16%	0.158	23%	0.232	C	C	.	.	H	α-helix	trans	-71.9	-44.6	172.8	172.8	0	0	0	0	111.4	K915 E1000 D1001 Y1002 A1007 I1008	K915-V1004 HydrophobicContact CB-CG1 4.18Å; K915-V1004 HydrophobicContact CD-CB 4.31Å; K915-V1004 HydrophobicContact CD-CG1 3.76Å; K915-V1004 HydrophobicContact CD-CG2 3.48Å; K915-V1004 VanDerWaalsContact CD-CG2 3.48Å; E1000-V1004 WeakPolarHBondContact O-CG2 3.36Å; E1000-V1004 PolarHBondContact O-N 3.4Å; D1001-V1004 PolarHBondContact O-N 3.45Å; Y1002-V1004 VanDerWaalsContact C-N 3.32Å; Y1002-V1004 PolarHBondContact O-N 3.48Å; V1004-A1007 WeakPolarHBondContact O-CB 3.49Å; V1004-A1007 PolarHBondContact O-N 2.96Å; V1004-A1007 VanDerWaalsContact O-N 3.12Å; V1004-I1008 HydrophobicContact CG1-CD1 4.21Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.23Å; V1004-I1008 PolarHBondContact O-N 3.07Å
1005	L	55	Low	56.6	Low	67 Å²	67	44 Å²	44	35%	0.351	23%	0.234	S	C	.	.	H	α-helix	trans	-66.4	-41.7	178.7	-156.1	165	0	0	0	110	L997 D1001 Y1002 A1007 I1008 L1009	L997-L1005 HydrophobicContact CD1-CD1 4Å; L997-L1005 HydrophobicContact CD2-CD1 3.69Å; D1001-L1005 VanDerWaalsContact O-CB 3.27Å; D1001-L1005 WeakPolarHBondContact O-CB 3.48Å; D1001-L1005 PolarHBondContact O-N 3.34Å; Y1002-L1005 PolarHBondContact O-N 2.92Å; L1005-A1007 VanDerWaalsContact C-N 3.34Å; L1005-A1007 PolarHBondContact O-N 2.81Å; L1005-I1008 PolarHBondContact O-N 2.76Å; L1005-L1009 HydrophobicContact CD2-CD1 3.53Å; L1005-L1009 HydrophobicContact CD2-CG 4.27Å; L1005-L1009 WeakPolarHBondContact O-CD1 3.49Å; L1005-L1009 VanDerWaalsContact O-CG 3.32Å; L1005-L1009 WeakPolarHBondContact O-CG 3.33Å; L1005-L1009 PolarHBondContact O-N 3.45Å
1006	M	55.1	Low	56.2	Low	25 Å²	25	47.1 Å²	47.1	12%	0.123	26%	0.255	C	S	.	.	H	α-helix	trans	-67.4	-28.3	170.1	-66.9	-60.4	150.9	0	0	113	Y1002 L1009 S1010 T1128	Y1002-M1006 HydrophobicContact CD1-CG 3.89Å; Y1002-M1006 HydrophobicContact CD2-CE 4.02Å; Y1002-M1006 HydrophobicContact CD2-CG 4.39Å; Y1002-M1006 HydrophobicContact CE1-CE 4.42Å; Y1002-M1006 HydrophobicContact CE1-CG 3.57Å; Y1002-M1006 HydrophobicContact CE2-CE 3.34Å; Y1002-M1006 HydrophobicContact CE2-CG 4.12Å; Y1002-M1006 HydrophobicContact CE2-SD 4.46Å; Y1002-M1006 HydrophobicContact CG-CG 4.29Å; Y1002-M1006 WeakPolarHBondContact O-CB 3.23Å; Y1002-M1006 WeakPolarHBondContact O-CG 3.31Å; Y1002-M1006 PolarHBondContact O-N 2.84Å; M1006-L1009 HydrophobicContact CE-CD1 3.96Å; M1006-L1009 PolarHBondContact O-N 3.01Å; M1006-L1009 HydrophobicContact SD-CD1 3.71Å; M1006-S1010 WeakPolarHBondContact O-CA 3.49Å; M1006-S1010 WeakPolarHBondContact O-CB 3.19Å; M1006-S1010 PolarHBondContact O-N 3.42Å; M1006-S1010 PolarHBondContact O-OG 3.48Å; M1006-T1128 HydrophobicContact CE-CG2 3.97Å; M1006-T1128 HydrophobicContact SD-CG2 4Å; M1006-T1128 PolarHBondContact SD-OG1 2.88Å; M1006-T1128 VanDerWaalsContact SD-OG1 3.32Å
1007	A	56.3	Low	55.6	Low	16 Å²	16	47 Å²	47	13%	0.132	26%	0.259	C	S	.	.	H	α-helix	trans	-71.9	-40.9	171.2	0	0	0	0	0	111.5	A909 S1003 V1004 L1005 L1009 S1010 E1011	A909-A1007 HydrophobicContact CB-CB 3.91Å; A909-A1007 VanDerWaalsContact O-O 3.14Å; S1003-A1007 WeakPolarHBondContact O-CB 3.43Å; S1003-A1007 PolarHBondContact O-N 2.77Å; V1004-A1007 WeakPolarHBondContact O-CB 3.49Å; V1004-A1007 PolarHBondContact O-N 2.96Å; V1004-A1007 VanDerWaalsContact O-N 3.12Å; L1005-A1007 VanDerWaalsContact C-N 3.34Å; L1005-A1007 PolarHBondContact O-N 2.81Å; A1007-L1009 PolarHBondContact O-N 3.18Å; A1007-S1010 PolarHBondContact O-N 3.14Å; A1007-E1011 WeakPolarHBondContact O-CA 3.49Å; A1007-E1011 WeakPolarHBondContact O-CB 3.43Å; A1007-E1011 PolarHBondContact O-N 3.33Å
1008	I	54.6	Low	54.9	Low	22 Å²	22	55.4 Å²	55.4	11%	0.113	30%	0.298	C	S	.	.	H	α-helix	trans	-57.7	-39.2	170.3	-65	161.5	0	0	0	110.6	L907 A909 V1004 L1005 L1013	L907-I1008 HydrophobicContact CB-CD1 4.35Å; L907-I1008 HydrophobicContact CB-CG2 4.35Å; L907-I1008 HydrophobicContact CD2-CG2 4.22Å; L907-I1008 WeakPolarHBondContact O-CD1 3.27Å; A909-I1008 HydrophobicContact CB-CG1 4.12Å; V1004-I1008 HydrophobicContact CG1-CD1 4.21Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.23Å; V1004-I1008 PolarHBondContact O-N 3.07Å; L1005-I1008 PolarHBondContact O-N 2.76Å; I1008-L1013 WeakPolarHBondContact O-CB 3.44Å; I1008-L1013 PolarHBondContact O-N 3.46Å
1009	L	51.6	Low	53.7	Low	27 Å²	27	59.9 Å²	59.9	14%	0.141	33%	0.325	C	S	.	.	H	α-helix	trans	-74	-36.3	175.9	-70.8	160.1	0	0	0	114	L1005 M1006 A1007 L1013 T1128 M1131	L1005-L1009 HydrophobicContact CD2-CD1 3.53Å; L1005-L1009 HydrophobicContact CD2-CG 4.27Å; L1005-L1009 WeakPolarHBondContact O-CD1 3.49Å; L1005-L1009 VanDerWaalsContact O-CG 3.32Å; L1005-L1009 WeakPolarHBondContact O-CG 3.33Å; L1005-L1009 PolarHBondContact O-N 3.45Å; M1006-L1009 HydrophobicContact CE-CD1 3.96Å; M1006-L1009 PolarHBondContact O-N 3.01Å; M1006-L1009 HydrophobicContact SD-CD1 3.71Å; A1007-L1009 PolarHBondContact O-N 3.18Å; L1009-L1013 HydrophobicContact CD2-CD1 3.9Å; L1009-T1128 HydrophobicContact CD1-CG2 3.75Å; L1009-M1131 HydrophobicContact CB-SD 4.41Å; L1009-M1131 HydrophobicContact CD2-SD 4.09Å; L1009-M1131 WeakPolarHBondContact O-CE 3.41Å
1010	S	54.1	Low	52.8	Low	45 Å²	45	63.3 Å²	63.3	32%	0.315	35%	0.347	S	S	.	.	H	α-helix	trans	-107.6	-18.9	-168.4	67.7	0	0	0	0	115.7	M1006 A1007 A1014	M1006-S1010 WeakPolarHBondContact O-CA 3.49Å; M1006-S1010 WeakPolarHBondContact O-CB 3.19Å; M1006-S1010 PolarHBondContact O-N 3.42Å; M1006-S1010 PolarHBondContact O-OG 3.48Å; A1007-S1010 PolarHBondContact O-N 3.14Å; S1010-A1014 WeakPolarHBondContact O-CB 3.35Å
1011	E	64.5	Low	51.6	Low	96 Å²	96	65.5 Å²	65.5	45%	0.449	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-79.6	166.3	-59.8	177.7	-156.9	0	0	109.7	A909 S910 A1007 L1013 A1014 E1015	A909-E1011 WeakPolarHBondContact O-CB 3.29Å; S910-E1011 WeakPolarHBondContact CB-OE2 3.5Å; S910-E1011 PolarHBondContact OG-OE2 3.15Å; A1007-E1011 WeakPolarHBondContact O-CA 3.49Å; A1007-E1011 WeakPolarHBondContact O-CB 3.43Å; A1007-E1011 PolarHBondContact O-N 3.33Å; E1011-L1013 PolarHBondContact O-N 2.79Å; E1011-A1014 CarbonylContact O-C 3.59Å; E1011-A1014 VanDerWaalsContact O-C 3.27Å; E1011-A1014 WeakPolarHBondContact O-CA 3.23Å; E1011-A1014 PolarHBondContact O-N 3.14Å; E1011-E1015 WeakPolarHBondContact O-CG 3.43Å; E1011-E1015 PolarHBondContact O-N 2.97Å
1012	N	58.8	Low	50.3	Low	0 Å²	0	69.5 Å²	69.5	0%	0	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-49.5	-64.6	-175.8	-177.4	-7	0	0	0	111.5	F845 N847 P908 A909 A1014 E1015	F845-N1012 PolarHBondContact O-ND2 2.86Å; N847-N1012 WeakPolarHBondContact CB-O 3.42Å; N847-N1012 VanDerWaalsContact CB-OD1 3.23Å; N847-N1012 WeakPolarHBondContact CB-OD1 3.5Å; N847-N1012 PolarHBondContact N-OD1 3.07Å; N847-N1012 PolarHBondContact ND2-O 2.83Å; N847-N1012 VanDerWaalsContact ND2-O 3.14Å; P908-N1012 WeakPolarHBondContact O-CB 3.25Å; P908-N1012 PolarHBondContact O-ND2 2.82Å; A909-N1012 WeakPolarHBondContact O-CB 3.34Å; A909-N1012 PolarHBondContact O-N 2.93Å; N1012-A1014 PolarHBondContact O-N 2.99Å; N1012-E1015 PolarHBondContact O-N 2.89Å
1013	L	57.1	Low	49	Very low	53 Å²	53	71.1 Å²	71.1	28%	0.277	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-63.2	-0.6	179.3	-77.2	163.9	0	0	0	115.1	F845 N847 I1008 L1009 E1011 M1131	F845-L1013 HydrophobicContact CE1-CD2 3.67Å; F845-L1013 HydrophobicContact CE1-CG 4.36Å; F845-L1013 HydrophobicContact CZ-CD2 3.99Å; N847-L1013 HydrophobicContact CB-CD2 4.46Å; N847-L1013 WeakPolarHBondContact ND2-CA 3.48Å; N847-L1013 PolarHBondContact ND2-O 3.13Å; I1008-L1013 WeakPolarHBondContact O-CB 3.44Å; I1008-L1013 PolarHBondContact O-N 3.46Å; L1009-L1013 HydrophobicContact CD2-CD1 3.9Å; E1011-L1013 PolarHBondContact O-N 2.79Å; L1013-M1131 HydrophobicContact CB-CE 3.87Å; L1013-M1131 HydrophobicContact CB-SD 3.88Å; L1013-M1131 WeakPolarHBondContact O-CE 3.29Å
1014	A	57.2	Low	47.9	Very low	27 Å²	27	73.8 Å²	73.8	22%	0.223	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-119.6	7.5	169.4	0	0	0	0	0	115	S1010 E1011 N1012 V1016 M1131	S1010-A1014 WeakPolarHBondContact O-CB 3.35Å; E1011-A1014 CarbonylContact O-C 3.59Å; E1011-A1014 VanDerWaalsContact O-C 3.27Å; E1011-A1014 WeakPolarHBondContact O-CA 3.23Å; E1011-A1014 PolarHBondContact O-N 3.14Å; N1012-A1014 PolarHBondContact O-N 2.99Å; A1014-V1016 PolarHBondContact O-N 2.78Å; A1014-M1131 HydrophobicContact CB-CE 4.43Å
1015	E	61.4	Low	46.6	Very low	31 Å²	31	78.4 Å²	78.4	15%	0.145	47%	0.472	C	S	.	.			trans	-67.6	110.5	172.1	-73.3	-175.9	154.5	0	0	110.1	L848 N851 S911 E1011 N1012	L848-E1015 HydrophobicContact CB-CB 3.84Å; L848-E1015 WeakPolarHBondContact CB-OE2 3.24Å; L848-E1015 HydrophobicContact CD1-CB 4.38Å; N851-E1015 PolarHBondContact ND2-O 2.77Å; S911-E1015 VanDerWaalsContact CB-OE1 3.23Å; S911-E1015 WeakPolarHBondContact CB-OE1 3.43Å; S911-E1015 PolarHBondContact N-OE1 2.81Å; S911-E1015 PolarHBondContact OG-OE1 2.82Å; E1011-E1015 WeakPolarHBondContact O-CG 3.43Å; E1011-E1015 PolarHBondContact O-N 2.97Å; N1012-E1015 PolarHBondContact O-N 2.89Å
1016	V	53.8	Low	45.4	Very low	109 Å²	109	80.5 Å²	80.5	66%	0.661	49%	0.493	S	S	*	.			trans	-131.8	152.5	-179.2	-178.7	0	0	0	0	108.9	A1014	A1014-V1016 PolarHBondContact O-N 2.78Å
1017	E	49	Very low	44.2	Very low	100 Å²	100	85.1 Å²	85.1	47%	0.467	51%	0.514	S	S	.	.			trans	-85.4	122.6	-171.7	-160	155.2	-111	0	0	111.9	R852 T1019	R852-E1017 IonicContact CZ-OE1 3.81Å; R852-E1017 VanDerWaalsContact CZ-OE1 3.23Å; R852-E1017 IonicContact NE-OE1 3.75Å; R852-E1017 PolarHBondContact NE-OE1 2.78Å; R852-E1017 IonicContact NH2-OE1 3.41Å; R852-E1017 PolarHBondContact NH2-OE1 2.76Å; E1017-T1019 PolarHBondContact O-N 2.81Å
1018	E	41.9	Very low	42.7	Very low	197 Å²	197	90.1 Å²	90.1	92%	0.921	55%	0.545	S	S	*	.			trans	-71.5	120.5	179.9	-70.4	-169.4	152.6	0	0	111.6
1019	T	35.9	Very low	41.5	Very low	123 Å²	123	97.4 Å²	97.4	76%	0.755	58%	0.582	S	S	*	*			trans	-108.4	140.6	176.6	43.2	0	0	0	0	111.6	E1017	E1017-T1019 PolarHBondContact O-N 2.81Å
1020	P	30.2	Very low	40.4	Very low	123 Å²	123	100.2 Å²	100.2	80%	0.799	61%	0.61	S	S	*	*			trans	-61.2	139	177.5	-24.3	34.7	0	0	0	113.2
1021	A	29.1	Very low	39	Very low	111 Å²	111	103.9 Å²	103.9	92%	0.917	63%	0.633	S	S	*	*			trans	-65.3	137.7	-169.2	0	0	0	0	0	114.7
1022	S	27.9	Very low	37.3	Very low	108 Å²	108	104.6 Å²	104.6	76%	0.755	65%	0.648	S	S	*	*			trans	-139.9	158.2	170.8	62.5	0	0	0	0	110.2
1023	P	28.8	Very low	35.7	Very low	119 Å²	119	110 Å²	110	77%	0.773	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-74.7	157.8	-167	28.7	-35	0	0	0	114.5
1024	P	28.7	Very low	34.4	Very low	124 Å²	124	112.2 Å²	112.2	81%	0.805	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-79	149.5	-162.2	30.7	-37	0	0	0	115.4
1025	P	28	Very low	32.8	Very low	123 Å²	123	116 Å²	116	80%	0.799	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-87.8	166.3	177.2	36.9	-36.4	0	0	0	113.4
1026	S	30.5	Very low	31.2	Very low	111 Å²	111	118.3 Å²	118.3	78%	0.776	78%	0.776	S	S	*	*			trans	-119	160.9	178	58.5	0	0	0	0	114.4	Y1140	S1026-Y1140 WeakPolarHBondContact CA-OH 3.38Å
1027	E	30.1	Very low	29.9	Very low	122 Å²	122	123.6 Å²	123.6	57%	0.57	79%	0.79	S	S	*	*			trans	-61.5	153.7	-159.4	-130.1	155.5	-177.5	0	0	118.7	Y1140	E1027-Y1140 HydrophobicContact CB-CE1 4.31Å; E1027-Y1140 HydrophobicContact CB-CE2 3.91Å; E1027-Y1140 HydrophobicContact CG-CD1 4.29Å; E1027-Y1140 HydrophobicContact CG-CD2 3.86Å; E1027-Y1140 HydrophobicContact CG-CE1 4.03Å; E1027-Y1140 HydrophobicContact CG-CE2 3.58Å; E1027-Y1140 HydrophobicContact CG-CG 4.2Å; E1027-Y1140 PolarHBondContact N-OH 3.13Å; E1027-Y1140 VanDerWaalsContact OE1-CD1 3.25Å; E1027-Y1140 WeakPolarHBondContact OE1-CD1 3.37Å; E1027-Y1140 VanDerWaalsContact OE1-CG 3.24Å; E1027-Y1140 WeakPolarHBondContact OE2-CD1 3.44Å; E1027-Y1140 WeakPolarHBondContact OE2-CE1 3.43Å
1028	P	24.8	Very low	28.8	Very low	122 Å²	122	122.7 Å²	122.7	79%	0.792	81%	0.807	S	S	*	*			trans	-96.1	161.2	174	37.7	-35.1	0	0	0	114.4
1029	I	28.5	Very low	28.1	Very low	174 Å²	174	117.8 Å²	117.8	89%	0.892	80%	0.8	S	S	*	*			trans	-120.6	138.9	177	-63	176.2	0	0	0	110.9
1030	A	28.8	Very low	27.6	Very low	86 Å²	86	119.6 Å²	119.6	71%	0.711	81%	0.805	S	S	*	*			trans	-88.6	159.3	-173.5	0	0	0	0	0	114.5
1031	P	24.9	Very low	27.4	Very low	123 Å²	123	123.1 Å²	123.1	80%	0.799	81%	0.811	S	S	*	*			trans	-91.8	155.4	-177.2	36.2	-35.3	0	0	0	114.2
1032	S	27.3	Very low	27.2	Very low	111 Å²	111	126.9 Å²	126.9	78%	0.776	81%	0.807	S	S	*	*			trans	-143.4	139	170.6	58.9	0	0	0	0	114.7
1033	S	26.9	Very low	27	Very low	114 Å²	114	129.7 Å²	129.7	80%	0.797	81%	0.812	S	S	*	*			trans	10.4	148.3	151.1	52.9	0	0	0	0	121.8
1034	A	28	Very low	26.8	Very low	98 Å²	98	128.6 Å²	128.6	81%	0.81	81%	0.813	S	S	*	*			cis	-168.6	171.1	-8.2	0	0	0	0	0	110.3
1035	A	25.3	Very low	26.6	Very low	106 Å²	106	131.6 Å²	131.6	88%	0.876	82%	0.816	S	S	*	*			trans	-101.7	160.7	167.9	0	0	0	0	0	111.6
1036	G	27.2	Very low	26.4	Very low	81 Å²	81	132.1 Å²	132.1	84%	0.835	82%	0.818	S	S	*	*			trans	111.6	94	165.1	0	0	0	0	0	116.3
1037	K	26.8	Very low	26	Very low	220 Å²	220	132.9 Å²	132.9	96%	0.957	82%	0.818	S	S	*	*			trans	-100	128.1	152.2	-73.4	-172.5	174.1	-172.8	0	107.7
1038	G	25.3	Very low	25.7	Very low	81 Å²	81	132 Å²	132	84%	0.835	83%	0.825	S	S	*	*			trans	-107.4	-171.2	-174	0	0	0	0	0	115.5
1039	A	26.6	Very low	25.6	Very low	93 Å²	93	132 Å²	132	77%	0.769	82%	0.823	S	S	*	*			trans	-161.3	114.8	164.2	0	0	0	0	0	106.7
1040	N	25.7	Very low	25.4	Very low	162 Å²	162	128.9 Å²	128.9	87%	0.866	82%	0.823	S	S	*	*				74.7	102.4	79.3	-84.8	1	0	0	0	114.7
1041	E	25.8	Very low	25.3	Very low	197 Å²	197	136.2 Å²	136.2	92%	0.921	83%	0.832	S	S	*	*			trans	-151.9	164.3	141.9	-129.7	157.1	-147.3	0	0	113.3
1042	K	25.9	Very low	25.6	Very low	190 Å²	190	140 Å²	140	83%	0.826	84%	0.836	S	S	*	*			trans	-77.4	143.5	-158.3	-71.1	162.7	-177.7	174.5	0	113.4
1043	L	23.2	Very low	26.2	Very low	167 Å²	167	139.2 Å²	139.2	87%	0.874	83%	0.831	S	S	*	*				79.4	108.4	55.2	-179.1	139.9	0	0	0	114.8
1044	A	25	Very low	27.3	Very low	96 Å²	96	137.1 Å²	137.1	79%	0.793	81%	0.813	S	S	*	*			trans	-171.9	148	151.6	0	0	0	0	0	110.7
1045	E	24.1	Very low	28.9	Very low	186 Å²	186	134.6 Å²	134.6	87%	0.869	79%	0.788	S	S	*	*			trans	-97.8	147.4	176.6	-59.1	158.6	111.8	0	0	111.3
1046	T	23.4	Very low	30.8	Very low	135 Å²	135	132 Å²	132	83%	0.828	76%	0.757	S	S	*	*			trans	-168	117.2	146.8	-71.7	0	0	0	0	111.7
1047	T	22.6	Very low	32.6	Very low	126 Å²	126	131.2 Å²	131.2	77%	0.773	73%	0.733	S	S	*	*			trans	9.7	133.3	150.7	-25.3	0	0	0	0	122.5
1048	S	22.7	Very low	35	Very low	103 Å²	103	124.9 Å²	124.9	72%	0.72	71%	0.705	S	S	*	*			trans	89.3	147.8	147.1	80.6	0	0	0	0	122.1
1049	T	23.2	Very low	37.3	Very low	124 Å²	124	121.3 Å²	121.3	76%	0.761	67%	0.668	S	S	*	*			trans	65.8	83.5	171.4	64.1	0	0	0	0	118.3	R1051	T1049-R1051 PolarHBondContact O-N 2.97Å
1050	A	25.5	Very low	39.8	Very low	107 Å²	107	120 Å²	120	88%	0.884	65%	0.647	S	S	*	*			trans	-69.4	108.2	162.7	0	0	0	0	0	110.5
1051	R	25.1	Very low	42.1	Very low	240 Å²	240	115.7 Å²	115.7	91%	0.906	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-67.3	136.7	172.3	-72.7	178.3	170.2	172	-4.6	109.8	T1049 S1053	T1049-R1051 PolarHBondContact O-N 2.97Å; R1051-S1053 PolarHBondContact O-N 3.07Å
1052	K	32.8	Very low	44.5	Very low	203 Å²	203	107.1 Å²	107.1	88%	0.883	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-58.5	132.1	172.4	-70.7	-176.6	176.1	-177.9	0	109.9
1053	S	39.4	Very low	46.9	Very low	95 Å²	95	99.4 Å²	99.4	66%	0.664	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-71.2	133.2	168.2	40.9	0	0	0	0	110.3	R1051	R1051-S1053 PolarHBondContact O-N 3.07Å
1054	T	50.1	Low	49.6	Very low	69 Å²	69	95 Å²	95	42%	0.423	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-88.3	131.4	179.5	11.1	0	0	0	0	110.7	Q979	Q979-T1054 HydrophobicContact CB-CG2 3.96Å
1055	V	60.8	Low	52.1	Low	46 Å²	46	95 Å²	95	28%	0.279	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-86.5	120.4	176.5	177.5	0	0	0	0	108.4	P982 M1057 K1058 Q1229	P982-V1055 WeakPolarHBondContact CB-O 3.38Å; V1055-M1057 VanDerWaalsContact CG1-O 3.27Å; V1055-M1057 WeakPolarHBondContact CG1-O 3.24Å; V1055-K1058 HydrophobicContact CG1-CB 4.26Å; V1055-Q1229 HydrophobicContact CG1-CB 4.44Å
1056	E	65.5	Low	54.4	Low	51 Å²	51	88.1 Å²	88.1	24%	0.238	48%	0.475	C	S	.	.	S	Bend	trans	-84.6	-31.9	178.4	-79.8	-158.2	-128.4	0	0	112.5	F975 R983 I984 L1226 L1227	F975-E1056 HydrophobicContact CE1-CG 3.95Å; F975-E1056 HydrophobicContact CZ-CG 3.69Å; R983-E1056 WeakPolarHBondContact CA-O 3.46Å; R983-E1056 HydrophobicContact CB-CB 4.35Å; R983-E1056 WeakPolarHBondContact CB-O 3.32Å; R983-E1056 WeakPolarHBondContact CD-OE2 3.49Å; R983-E1056 IonicContact CZ-OE2 2.8Å; R983-E1056 PolarHBondContact N-O 3.02Å; R983-E1056 IonicContact NE-OE2 3.29Å; R983-E1056 IonicContact NH1-OE1 3.07Å; R983-E1056 IonicContact NH1-OE2 3.97Å; R983-E1056 PolarHBondContact NH1-OE2 3.21Å; I984-E1056 PolarHBondContact N-O 2.98Å; E1056-L1226 HydrophobicContact CB-CD2 3.84Å; E1056-L1226 HydrophobicContact CG-CD2 4.05Å; E1056-L1226 WeakPolarHBondContact OE1-CD2 3.48Å; E1056-L1226 WeakPolarHBondContact OE2-CD2 3.38Å; E1056-L1227 PolarHBondContact N-O 3.17Å; E1056-L1227 VanDerWaalsContact N-O 3.11Å
1057	M	66.3	Low	56.6	Low	65 Å²	65	82.5 Å²	82.5	32%	0.32	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.1	176.8	-177.1	172.9	177.9	0	0	112	I984 V986 V1055 L1227 V1228 Q1229	I984-M1057 HydrophobicContact CB-CG 4.16Å; I984-M1057 HydrophobicContact CG2-CE 4.48Å; I984-M1057 HydrophobicContact CG2-CG 4.48Å; I984-M1057 CarbonylContact O-C 3.54Å; I984-M1057 VanDerWaalsContact O-CA 3.23Å; I984-M1057 WeakPolarHBondContact O-CA 3.42Å; V986-M1057 HydrophobicContact CG2-CE 4.02Å; V1055-M1057 VanDerWaalsContact CG1-O 3.27Å; V1055-M1057 WeakPolarHBondContact CG1-O 3.24Å; M1057-L1227 PolarHBondContact N-O 3.27Å; M1057-V1228 HydrophobicContact CB-CB 4.43Å; M1057-V1228 HydrophobicContact CB-CG1 4.13Å; M1057-V1228 HydrophobicContact CB-CG2 4.18Å; M1057-V1228 HydrophobicContact CG-CG1 4.14Å; M1057-V1228 CarbonylContact O-C 3.57Å; M1057-V1228 WeakPolarHBondContact O-CA 3.24Å; M1057-V1228 HydrophobicContact SD-CG1 4.13Å; M1057-Q1229 PolarHBondContact O-N 3.5Å
1058	K	76.3	Confident	58.7	Low	86 Å²	86	78 Å²	78	37%	0.374	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	114	176.6	-173	-176.8	178.8	-174.7	0	111.6	P982 I984 A985 V986 V1055 Q1229	P982-K1058 HydrophobicContact CG-CB 4.15Å; I984-K1058 PolarHBondContact O-N 3.22Å; A985-K1058 CarbonylContact C-O 3.35Å; A985-K1058 WeakPolarHBondContact CA-O 3.32Å; V986-K1058 PolarHBondContact N-O 3.47Å; V1055-K1058 HydrophobicContact CG1-CB 4.26Å; K1058-Q1229 CarbonylContact C-O 3.54Å; K1058-Q1229 VanDerWaalsContact CA-O 3.32Å; K1058-Q1229 WeakPolarHBondContact CA-O 3.26Å; K1058-Q1229 HydrophobicContact CG-CB 4.48Å
1059	A	73.3	Confident	60.7	Low	7 Å²	7	73.6 Å²	73.6	6%	0.058	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	157.9	169.7	0	0	0	0	0	112.3	V986 F1061 Q1229 M1230 S1231	V986-A1059 HydrophobicContact CB-CB 3.78Å; V986-A1059 HydrophobicContact CG1-CB 4.45Å; V986-A1059 HydrophobicContact CG2-CB 4.36Å; V986-A1059 CarbonylContact O-C 3.45Å; V986-A1059 VanDerWaalsContact O-CA 3.29Å; V986-A1059 WeakPolarHBondContact O-CA 3.47Å; A1059-F1061 HydrophobicContact CB-CD2 4.35Å; A1059-F1061 HydrophobicContact CB-CE2 3.94Å; A1059-Q1229 PolarHBondContact N-O 2.84Å; A1059-M1230 HydrophobicContact CB-CB 3.83Å; A1059-M1230 HydrophobicContact CB-CG 3.6Å; A1059-M1230 CarbonylContact O-C 3.58Å; A1059-M1230 WeakPolarHBondContact O-CA 3.21Å; A1059-S1231 PolarHBondContact O-N 3.18Å
1060	L	79	Confident	62.4	Low	64 Å²	64	69.4 Å²	69.4	34%	0.335	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	132.1	174.4	-179.9	143.2	0	0	0	108.1	V986 E987 G988 S1231	V986-L1060 PolarHBondContact O-N 3.29Å; E987-L1060 CarbonylContact C-O 3.42Å; E987-L1060 WeakPolarHBondContact CA-O 3.46Å; G988-L1060 PolarHBondContact N-O 3.27Å; L1060-S1231 CarbonylContact C-O 3.51Å; L1060-S1231 WeakPolarHBondContact CA-O 3.49Å
1061	F	73.8	Confident	63.9	Low	73 Å²	73	65.9 Å²	65.9	32%	0.32	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	107.3	-179.3	-75.5	-93	0	0	0	111.3	I967 V986 G988 A1059 M1230 S1231 F1232 E1233	I967-F1061 HydrophobicContact CD1-CE1 4.44Å; I967-F1061 HydrophobicContact CG2-CE1 4.44Å; V986-F1061 HydrophobicContact CG1-CE2 4.21Å; V986-F1061 HydrophobicContact CG1-CZ 3.98Å; G988-F1061 WeakPolarHBondContact O-CA 3.46Å; A1059-F1061 HydrophobicContact CB-CD2 4.35Å; A1059-F1061 HydrophobicContact CB-CE2 3.94Å; F1061-M1230 HydrophobicContact CB-CE 4.49Å; F1061-M1230 HydrophobicContact CD2-CE 3.39Å; F1061-M1230 HydrophobicContact CD2-CG 4.07Å; F1061-M1230 HydrophobicContact CD2-SD 4.48Å; F1061-M1230 HydrophobicContact CE2-CE 3.74Å; F1061-M1230 HydrophobicContact CE2-CG 4.26Å; F1061-M1230 HydrophobicContact CG-CE 4.1Å; F1061-S1231 PolarHBondContact N-O 3.33Å; F1061-F1232 HydrophobicContact CB-CB 4.44Å; F1061-F1232 CarbonylContact O-C 3.45Å; F1061-F1232 VanDerWaalsContact O-CA 3.25Å; F1061-F1232 WeakPolarHBondContact O-CA 3.42Å; F1061-E1233 PolarHBondContact O-N 3.47Å
1062	A	76.4	Confident	65	Low	16 Å²	16	60.2 Å²	60.2	13%	0.132	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142.8	179.7	0	0	0	0	0	112.9	G988 R989 L990 E1233	G988-A1062 PolarHBondContact O-N 2.86Å; R989-A1062 CarbonylContact C-O 3.46Å; R989-A1062 WeakPolarHBondContact CA-O 3.44Å; R989-A1062 HydrophobicContact CG-CB 4.41Å; L990-A1062 PolarHBondContact N-O 3.46Å; A1062-E1233 CarbonylContact C-O 3.58Å; A1062-E1233 WeakPolarHBondContact CA-O 3.34Å
1063	L	76	Confident	65.5	Low	29 Å²	29	52.6 Å²	52.6	15%	0.152	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	107.9	178.6	174.6	48.6	0	0	0	109.4	L990 I993 I1066 E1233 V1234 E1235	L990-L1063 HydrophobicContact CB-CD1 4.17Å; L990-L1063 HydrophobicContact CD2-CD1 3.46Å; L990-L1063 VanDerWaalsContact CD2-CD1 3.46Å; L990-L1063 HydrophobicContact CG-CD1 4.38Å; L990-L1063 VanDerWaalsContact O-CA 3.31Å; L990-L1063 WeakPolarHBondContact O-CA 3.22Å; L990-L1063 VanDerWaalsContact O-CD1 3.29Å; L990-L1063 WeakPolarHBondContact O-CD1 3.34Å; I993-L1063 HydrophobicContact CD1-CD1 4.28Å; I993-L1063 HydrophobicContact CD1-CD2 4.33Å; I993-L1063 HydrophobicContact CG1-CD1 4.3Å; L1063-I1066 HydrophobicContact CD2-CD1 3.75Å; L1063-I1066 HydrophobicContact CD2-CG1 3.62Å; L1063-I1066 HydrophobicContact CG-CG1 4.13Å; L1063-E1233 PolarHBondContact N-O 3.29Å; L1063-V1234 HydrophobicContact CB-CB 4.43Å; L1063-V1234 HydrophobicContact CB-CG1 4.22Å; L1063-V1234 HydrophobicContact CB-CG2 4.16Å; L1063-V1234 HydrophobicContact CD2-CG1 4.06Å; L1063-V1234 HydrophobicContact CD2-CG2 4.24Å; L1063-V1234 HydrophobicContact CG-CG1 3.96Å; L1063-V1234 CarbonylContact O-C 3.58Å; L1063-V1234 VanDerWaalsContact O-CA 3.25Å; L1063-V1234 WeakPolarHBondContact O-CA 3.07Å; L1063-E1235 PolarHBondContact O-N 2.83Å
1064	E	80.1	Confident	65.4	Low	75 Å²	75	51.5 Å²	51.5	35%	0.35	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-39.8	-168.1	-50.2	171.9	174.4	0	0	110.8	L990 P991 Q1236	L990-E1064 PolarHBondContact O-N 2.68Å; L990-E1064 VanDerWaalsContact O-N 3.14Å; P991-E1064 CarbonylContact O-C 3.45Å; P991-E1064 WeakPolarHBondContact O-CB 3.36Å; P991-E1064 PolarHBondContact O-N 2.9Å; E1064-Q1236 PolarHBondContact O-N 2.93Å
1065	R	76.9	Confident	64.7	Low	94 Å²	94	55.4 Å²	55.4	36%	0.355	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	134.8	172.9	-169.9	177.5	-61.4	128	2.8	115.1	P991 E992 I993 Q1236	P991-R1065 PolarHBondContact O-N 3.44Å; E992-R1065 CarbonylContact C-O 3.59Å; E992-R1065 WeakPolarHBondContact CA-O 3.3Å; E992-R1065 HydrophobicContact CG-CB 4.32Å; E992-R1065 WeakPolarHBondContact OE1-CD 3.34Å; E992-R1065 IonicContact OE1-CZ 3.3Å; E992-R1065 IonicContact OE1-NE 3.55Å; E992-R1065 IonicContact OE1-NH1 2.76Å; E992-R1065 PolarHBondContact OE1-NH1 3.41Å; I993-R1065 PolarHBondContact N-O 3.4Å; R1065-Q1236 CarbonylContact C-O 3.53Å; R1065-Q1236 WeakPolarHBondContact CA-O 3.38Å; R1065-Q1236 HydrophobicContact CB-CB 4.46Å; R1065-Q1236 HydrophobicContact CG-CB 4.22Å; R1065-Q1236 HydrophobicContact CG-CG 4.22Å
1066	I	72.8	Confident	63.3	Low	42 Å²	42	57.9 Å²	57.9	22%	0.215	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.4	152.3	-56.1	179	0	0	0	108	I993 L1063 V1068 V1234 Q1236 I1237 S1238	I993-I1066 CarbonylContact O-C 3.6Å; L1063-I1066 HydrophobicContact CD2-CD1 3.75Å; L1063-I1066 HydrophobicContact CD2-CG1 3.62Å; L1063-I1066 HydrophobicContact CG-CG1 4.13Å; I1066-V1068 HydrophobicContact CG2-CG2 4.3Å; I1066-V1234 HydrophobicContact CD1-CG1 4.3Å; I1066-V1234 HydrophobicContact CG1-CG1 4.36Å; I1066-Q1236 PolarHBondContact N-O 3.43Å; I1066-I1237 HydrophobicContact CB-CG1 4.44Å; I1066-I1237 HydrophobicContact CB-CG2 4.28Å; I1066-I1237 HydrophobicContact CD1-CG1 4.24Å; I1066-I1237 HydrophobicContact CG2-CG2 4.49Å; I1066-I1237 CarbonylContact O-C 3.28Å; I1066-I1237 WeakPolarHBondContact O-CA 3.33Å; I1066-S1238 PolarHBondContact O-N 3.24Å; I1066-S1238 PolarHBondContact O-OG 3.13Å
1067	S	69.7	Low	61.7	Low	18 Å²	18	63.9 Å²	63.9	13%	0.126	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	127.1	174.9	-163.6	0	0	0	0	111.1	I993 E994 I995 S1238	I993-S1067 PolarHBondContact O-N 3.44Å; E994-S1067 WeakPolarHBondContact CA-O 3.08Å; I995-S1067 PolarHBondContact N-O 3.29Å; S1067-S1238 CarbonylContact C-O 3.56Å; S1067-S1238 VanDerWaalsContact CA-O 3.29Å; S1067-S1238 WeakPolarHBondContact CA-O 3.38Å; S1067-S1238 PolarHBondContact OG-OG 2.89Å
1068	V	67.1	Low	59.9	Low	32 Å²	32	65 Å²	65	19%	0.194	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	115.2	179.4	-177.7	0	0	0	0	109.2	I995 I1066 L1070 S1238 F1239 C1240	I995-V1068 HydrophobicContact CB-CG2 4.39Å; I995-V1068 HydrophobicContact CD1-CG2 4.3Å; I1066-V1068 HydrophobicContact CG2-CG2 4.3Å; V1068-L1070 HydrophobicContact CG1-CD2 4.41Å; V1068-S1238 PolarHBondContact N-O 2.7Å; V1068-F1239 HydrophobicContact CB-CD2 4.1Å; V1068-F1239 HydrophobicContact CG1-CD2 4.03Å; V1068-F1239 HydrophobicContact CG1-CE2 4.35Å; V1068-F1239 CarbonylContact O-C 3.6Å; V1068-F1239 WeakPolarHBondContact O-CA 3.49Å; V1068-C1240 PolarHBondContact O-N 2.6Å
1069	T	63.7	Low	57.7	Low	10 Å²	10	70.6 Å²	70.6	6%	0.061	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.1	176.5	-53.8	0	0	0	0	111.3	I995 L997 Y1071 C1240 E1242	I995-T1069 PolarHBondContact O-N 3.33Å; L997-T1069 PolarHBondContact N-O 2.89Å; T1069-Y1071 HydrophobicContact CG2-CD1 4.35Å; T1069-Y1071 HydrophobicContact CG2-CE1 3.69Å; T1069-Y1071 HydrophobicContact CG2-CE2 3.94Å; T1069-Y1071 VanDerWaalsContact CG2-CZ 3.45Å; T1069-Y1071 WeakPolarHBondContact CG2-OH 3.15Å; T1069-C1240 WeakPolarHBondContact CA-O 2.98Å; T1069-C1240 HydrophobicContact CG2-CB 4.28Å; T1069-E1242 HydrophobicContact CG2-CB 4.49Å; T1069-E1242 HydrophobicContact CG2-CG 4.07Å
1070	L	58.8	Low	55.6	Low	36 Å²	36	73.5 Å²	73.5	19%	0.188	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.5	175.6	-58	-176.1	0	0	0	110.5	L997 V1068 F1239 C1240 L1241 E1242	L997-L1070 HydrophobicContact CB-CD2 3.97Å; L997-L1070 HydrophobicContact CD1-CD2 3.95Å; L997-L1070 HydrophobicContact CG-CD2 4.42Å; L997-L1070 CarbonylContact O-C 3.48Å; L997-L1070 WeakPolarHBondContact O-CA 3.43Å; V1068-L1070 HydrophobicContact CG1-CD2 4.41Å; L1070-F1239 HydrophobicContact CD1-CE2 3.77Å; L1070-F1239 HydrophobicContact CD1-CZ 3.7Å; L1070-F1239 HydrophobicContact CG-CE2 4.15Å; L1070-F1239 HydrophobicContact CG-CZ 4.35Å; L1070-C1240 PolarHBondContact N-O 3.39Å; L1070-L1241 HydrophobicContact CB-CD1 3.89Å; L1070-L1241 HydrophobicContact CD1-CD1 4.32Å; L1070-E1242 PolarHBondContact O-N 3.02Å
1071	Y	58.2	Low	53.4	Low	32 Å²	32	78.6 Å²	78.6	13%	0.125	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	157	177.8	-53.3	-81.2	0	0	0	111.7	R996 L997 T998 S999 T1069 E1242 K1249	R996-Y1071 HydrophobicContact CB-CE2 3.9Å; R996-Y1071 HydrophobicContact CG-CE2 4.02Å; L997-Y1071 PolarHBondContact O-N 3.3Å; T998-Y1071 CarbonylContact C-O 3.54Å; T998-Y1071 VanDerWaalsContact C-O 3.28Å; T998-Y1071 VanDerWaalsContact CA-O 3.3Å; T998-Y1071 WeakPolarHBondContact CA-O 3.48Å; S999-Y1071 PolarHBondContact N-O 2.89Å; T1069-Y1071 HydrophobicContact CG2-CD1 4.35Å; T1069-Y1071 HydrophobicContact CG2-CE1 3.69Å; T1069-Y1071 HydrophobicContact CG2-CE2 3.94Å; T1069-Y1071 VanDerWaalsContact CG2-CZ 3.45Å; T1069-Y1071 WeakPolarHBondContact CG2-OH 3.15Å; Y1071-E1242 WeakPolarHBondContact CA-O 3.39Å; Y1071-E1242 HydrophobicContact CD1-CB 4.04Å; Y1071-E1242 HydrophobicContact CE1-CB 4.3Å; Y1071-E1242 VanDerWaalsContact CE1-OE2 3.27Å; Y1071-E1242 WeakPolarHBondContact CE1-OE2 3.46Å; Y1071-K1249 HydrophobicContact CD1-CD 4.39Å; Y1071-K1249 HydrophobicContact CE1-CD 4.07Å
1072	R	48.2	Very low	51.4	Low	122 Å²	122	78.8 Å²	78.8	46%	0.46	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.1	172.6	-179.7	176.2	177.4	162.1	-1.3	111.1	T1074 D1244	R1072-T1074 HydrophobicContact CG-CG2 4.35Å; R1072-D1244 WeakPolarHBondContact O-CB 3.34Å
1073	S	43.8	Very low	48.9	Very low	42 Å²	42	85.2 Å²	85.2	29%	0.294	46%	0.463	S	S	.	.			trans	-76.6	145.8	169.6	-172.6	0	0	0	0	110.6	S999 E1000	S999-S1073 WeakPolarHBondContact OG-CB 3.41Å; S999-S1073 PolarHBondContact OG-N 2.81Å; E1000-S1073 WeakPolarHBondContact OE1-CB 3.21Å; E1000-S1073 PolarHBondContact OE1-OG 2.88Å
1074	T	37.3	Very low	46.6	Very low	73 Å²	73	89.5 Å²	89.5	45%	0.448	48%	0.483	S	S	.	.			trans	-138.2	100	-180	58.5	0	0	0	0	112.2	R1072 A1076	R1072-T1074 HydrophobicContact CG-CG2 4.35Å; T1074-A1076 PolarHBondContact O-N 3.25Å
1075	D	34.9	Very low	44	Very low	150 Å²	150	92.1 Å²	92.1	80%	0.802	50%	0.504	S	S	*	.			trans	-72.9	93.1	167.2	-106.9	-27	0	0	0	110.8	Q1077	D1075-Q1077 VanDerWaalsContact C-N 3.28Å; D1075-Q1077 PolarHBondContact O-N 3.36Å
1076	A	30.5	Very low	41.6	Very low	99 Å²	99	90.8 Å²	90.8	82%	0.818	51%	0.514	S	S	*	.	S	Bend	trans	43.1	-10.2	146	0	0	0	0	0	123.9	T1074	T1074-A1076 PolarHBondContact O-N 3.25Å
1077	Q	31.7	Very low	39.4	Very low	176 Å²	176	96.5 Å²	96.5	82%	0.822	55%	0.545	S	S	*	.			trans	-123.6	1.9	-168.7	-68.8	-164.7	-3.8	0	0	116.8	D1075 F1079	D1075-Q1077 VanDerWaalsContact C-N 3.28Å; D1075-Q1077 PolarHBondContact O-N 3.36Å; Q1077-F1079 PolarHBondContact O-N 3.13Å
1078	M	29.4	Very low	37.2	Very low	89 Å²	89	100.7 Å²	100.7	44%	0.438	56%	0.561	S	S	.	*	S	Bend	trans	-69.9	1.6	179.7	-67.1	-162.3	73.7	0	0	115.4	M1084	M1078-M1084 HydrophobicContact CE-CE 4.09Å
1079	F	30.3	Very low	35.3	Very low	204 Å²	204	104.1 Å²	104.1	90%	0.895	59%	0.586	S	S	*	*			trans	-126	75	-177.4	-67.5	-76.8	0	0	0	112.6	Q1077	Q1077-F1079 PolarHBondContact O-N 3.13Å
1080	A	28.6	Very low	33.4	Very low	67 Å²	67	111.5 Å²	111.5	55%	0.554	63%	0.625	S	S	*	*	S	Bend	trans	-113.4	136.7	159	0	0	0	0	0	109.2	G1082	A1080-G1082 PolarHBondContact O-N 3.16Å
1081	N	32.5	Very low	31.9	Very low	171 Å²	171	118.3 Å²	118.3	91%	0.914	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.3	2.7	170.6	-52.3	-13.9	0	0	0	118.1	E1083	N1081-E1083 PolarHBondContact O-N 2.83Å
1082	G	31.9	Very low	30.4	Very low	77 Å²	77	120.5 Å²	120.5	79%	0.794	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.2	0.4	175	0	0	0	0	0	115.8	A1080	A1080-G1082 PolarHBondContact O-N 3.16Å
1083	E	25.1	Very low	29.4	Very low	152 Å²	152	121 Å²	121	71%	0.71	68%	0.683	S	S	*	*			trans	-110.5	113.9	177.3	-68.3	-160.1	126.6	0	0	112.7	N1081 T1085	N1081-E1083 PolarHBondContact O-N 2.83Å; E1083-T1085 PolarHBondContact O-N 3.37Å; E1083-T1085 PolarHBondContact O-OG1 2.87Å
1084	M	27.3	Very low	28.7	Very low	118 Å²	118	123.1 Å²	123.1	58%	0.581	70%	0.695	S	S	*	*			trans	-72.5	104.9	179.7	-176.3	-176.1	177.7	0	0	111.7	M1078	M1078-M1084 HydrophobicContact CE-CE 4.09Å
1085	T	26.1	Very low	28.4	Very low	130 Å²	130	126.5 Å²	126.5	80%	0.798	71%	0.709	S	S	*	*			trans	-123	64.1	-169.7	40.1	0	0	0	0	113.7	E1083	E1083-T1085 PolarHBondContact O-N 3.37Å; E1083-T1085 PolarHBondContact O-OG1 2.87Å
1086	A	25.5	Very low	28.5	Very low	66 Å²	66	123.8 Å²	123.8	55%	0.545	69%	0.694	S	S	.	*	S	Bend	trans	-153.4	88.3	170.4	0	0	0	0	0	113.7	F1088	A1086-F1088 VanDerWaalsContact C-N 3.27Å; A1086-F1088 PolarHBondContact O-N 2.82Å
1087	N	26	Very low	28.6	Very low	163 Å²	163	123.1 Å²	123.1	87%	0.872	68%	0.677	S	S	*	*	S	Bend	trans	36.9	16.8	154.5	-69.4	2.5	0	0	0	122.9
1088	F	24.3	Very low	28.7	Very low	105 Å²	105	120 Å²	120	46%	0.461	67%	0.666	S	S	.	*			trans	-113.3	85.3	168.7	-125.2	-93.3	0	0	0	110	A1086 L1090 L1120 L1121	A1086-F1088 VanDerWaalsContact C-N 3.27Å; A1086-F1088 PolarHBondContact O-N 2.82Å; F1088-L1090 VanDerWaalsContact C-N 3.27Å; F1088-L1090 PolarHBondContact O-N 2.76Å; F1088-L1120 HydrophobicContact CE2-CD2 4.39Å; F1088-L1121 HydrophobicContact CD2-CD1 4.42Å; F1088-L1121 HydrophobicContact CE1-CD1 4.14Å; F1088-L1121 HydrophobicContact CE2-CD1 3.84Å; F1088-L1121 HydrophobicContact CE2-CD2 4.3Å; F1088-L1121 HydrophobicContact CE2-CG 3.9Å; F1088-L1121 HydrophobicContact CZ-CD1 3.7Å; F1088-L1121 HydrophobicContact CZ-CD2 3.76Å; F1088-L1121 HydrophobicContact CZ-CG 3.82Å
1089	S	26.2	Very low	28.9	Very low	104 Å²	104	125.2 Å²	125.2	73%	0.727	68%	0.68	S	S	*	*			trans	-81.1	60.6	-170.8	-174.8	0	0	0	0	114	K1091	S1089-K1091 PolarHBondContact O-N 3.41Å
1090	L	25.3	Very low	28.8	Very low	166 Å²	166	123.3 Å²	123.3	87%	0.869	67%	0.672	S	S	*	*			trans	-70.8	70.3	157.7	-92.9	162.1	0	0	0	109	F1088	F1088-L1090 VanDerWaalsContact C-N 3.27Å; F1088-L1090 PolarHBondContact O-N 2.76Å
1091	K	26.9	Very low	28.8	Very low	178 Å²	178	122.9 Å²	122.9	77%	0.774	67%	0.674	S	S	*	*			trans	-142.9	12.1	-167.6	-139.4	175.6	-174.1	177.9	0	115.5	S1089	S1089-K1091 PolarHBondContact O-N 3.41Å
1092	A	26.5	Very low	28.5	Very low	78 Å²	78	120.1 Å²	120.1	65%	0.645	67%	0.668	S	S	*	*	S	Bend	trans	-156.2	66	-178.9	0	0	0	0	0	113.2
1093	F	27.5	Very low	28.6	Very low	132 Å²	132	123.2 Å²	123.2	58%	0.579	67%	0.665	S	S	*	*			trans	-155.3	103.8	154	-90.7	-64.3	0	0	0	109.3	D1097 L1098 F1425	F1093-D1097 HydrophobicContact CD1-CB 3.87Å; F1093-D1097 HydrophobicContact CE1-CB 4.28Å; F1093-L1098 HydrophobicContact CD1-CD2 3.98Å; F1093-L1098 HydrophobicContact CD1-CG 3.85Å; F1093-L1098 HydrophobicContact CE1-CD2 3.67Å; F1093-L1098 HydrophobicContact CE1-CG 4Å; F1093-L1098 HydrophobicContact CZ-CD2 4.32Å; F1093-F1425 HydrophobicContact CE2-CE1 4.33Å; F1093-F1425 HydrophobicContact CE2-CZ 4.19Å; F1093-F1425 HydrophobicContact CZ-CZ 4.19Å
1094	T	29.7	Very low	29	Very low	88 Å²	88	118.9 Å²	118.9	54%	0.54	66%	0.661	S	S	.	*			trans	-86.6	164.5	156.9	65.8	0	0	0	0	109.4	D1096 D1097	T1094-D1096 PolarHBondContact O-N 2.84Å; T1094-D1096 VanDerWaalsContact O-N 3.13Å; T1094-D1097 WeakPolarHBondContact CB-OD2 3.42Å; T1094-D1097 PolarHBondContact N-OD2 3.36Å; T1094-D1097 PolarHBondContact O-N 3.28Å; T1094-D1097 VanDerWaalsContact O-N 3.1Å; T1094-D1097 PolarHBondContact OG1-OD2 2.75Å
1095	L	30.5	Very low	29.2	Very low	144 Å²	144	116.9 Å²	116.9	75%	0.754	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-24.7	-179.3	-152.8	79.2	0	0	0	113
1096	D	35.9	Very low	29.6	Very low	92 Å²	92	120.7 Å²	120.7	49%	0.492	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.1	-23.8	178	-81.2	-38.1	0	0	0	114.3	T1094 L1098 R1099	T1094-D1096 PolarHBondContact O-N 2.84Å; T1094-D1096 VanDerWaalsContact O-N 3.13Å; D1096-L1098 VanDerWaalsContact C-N 3.33Å; D1096-L1098 PolarHBondContact O-N 2.65Å; D1096-R1099 PolarHBondContact O-N 3.02Å
1097	D	33.9	Very low	29.7	Very low	85 Å²	85	128.4 Å²	128.4	46%	0.455	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-70.2	-32.5	-178.3	-66.3	-58	0	0	0	111.6	F1093 T1094 R1099	F1093-D1097 HydrophobicContact CD1-CB 3.87Å; F1093-D1097 HydrophobicContact CE1-CB 4.28Å; T1094-D1097 WeakPolarHBondContact CB-OD2 3.42Å; T1094-D1097 PolarHBondContact N-OD2 3.36Å; T1094-D1097 PolarHBondContact O-N 3.28Å; T1094-D1097 VanDerWaalsContact O-N 3.1Å; T1094-D1097 PolarHBondContact OG1-OD2 2.75Å; D1097-R1099 PolarHBondContact O-N 3.33Å
1098	L	32.8	Very low	30	Very low	112 Å²	112	127.8 Å²	127.8	59%	0.586	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-71.9	-14.5	177.2	-72.9	167	0	0	0	113.7	F1093 D1096	F1093-L1098 HydrophobicContact CD1-CD2 3.98Å; F1093-L1098 HydrophobicContact CD1-CG 3.85Å; F1093-L1098 HydrophobicContact CE1-CD2 3.67Å; F1093-L1098 HydrophobicContact CE1-CG 4Å; F1093-L1098 HydrophobicContact CZ-CD2 4.32Å; D1096-L1098 VanDerWaalsContact C-N 3.33Å; D1096-L1098 PolarHBondContact O-N 2.65Å
1099	R	33.1	Very low	30.4	Very low	197 Å²	197	130.1 Å²	130.1	74%	0.743	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-86.3	-2.4	-179.9	-75.8	178.3	164.6	165.5	-4.2	114.3	D1096 D1097	D1096-R1099 PolarHBondContact O-N 3.02Å; D1097-R1099 PolarHBondContact O-N 3.33Å
1100	K	29.8	Very low	30.6	Very low	164 Å²	164	131.9 Å²	131.9	71%	0.713	68%	0.68	S	S	*	*	S	Bend	trans	-132.9	80.6	-170.1	-67.4	169.3	-174	155.3	0	112.9
1101	G	27.4	Very low	30.8	Very low	58 Å²	58	133.7 Å²	133.7	60%	0.598	68%	0.681	S	S	*	*			trans	-72.9	-176	-175.2	0	0	0	0	0	117.1
1102	S	27.6	Very low	30.8	Very low	113 Å²	113	135.4 Å²	135.4	79%	0.79	69%	0.689	S	S	*	*	S	Bend	trans	85.5	-18.4	163.2	-46.1	0	0	0	0	120.5
1103	I	32.2	Very low	30.7	Very low	143 Å²	143	135.7 Å²	135.7	73%	0.733	70%	0.699	S	S	*	*	S	Bend	trans	-119.5	-39	-168.7	-60.6	-178.3	0	0	0	115.5
1104	G	34.1	Very low	30.6	Very low	61 Å²	61	133 Å²	133	63%	0.629	71%	0.709	S	S	*	*	S	Bend	trans	-67.2	-45.5	-171.1	0	0	0	0	0	115	R1106 R1107	G1104-R1106 VanDerWaalsContact C-N 3.27Å; G1104-R1106 PolarHBondContact O-N 2.86Å; G1104-R1107 PolarHBondContact O-N 3.48Å
1105	I	32.8	Very low	30.5	Very low	76 Å²	76	134.8 Å²	134.8	39%	0.39	73%	0.725	S	S	.	*	G	3₁₀ helix	trans	-68.9	-24.8	-167.1	-68.2	157.1	0	0	0	112.7	R1107 L1108 E1424	I1105-R1107 PolarHBondContact O-N 3.23Å; I1105-L1108 PolarHBondContact O-N 3.16Å; I1105-E1424 HydrophobicContact CD1-CB 3.86Å; I1105-E1424 VanDerWaalsContact CD1-CD 3.49Å; I1105-E1424 HydrophobicContact CD1-CG 4.3Å; I1105-E1424 VanDerWaalsContact CD1-OE2 3.26Å; I1105-E1424 WeakPolarHBondContact CD1-OE2 3.22Å
1106	R	32.8	Very low	30.3	Very low	210 Å²	210	133.3 Å²	133.3	79%	0.792	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-64.2	-13.1	-179.1	-150.2	170.4	-169.7	155.9	2.2	114.2	G1104	G1104-R1106 VanDerWaalsContact C-N 3.27Å; G1104-R1106 PolarHBondContact O-N 2.86Å
1107	R	29	Very low	29.9	Very low	227 Å²	227	135.9 Å²	135.9	86%	0.857	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-87.9	-12.5	174.8	-73	-178.3	172.6	170.4	-1.2	114.8	G1104 I1105	G1104-R1107 PolarHBondContact O-N 3.48Å; I1105-R1107 PolarHBondContact O-N 3.23Å
1108	L	31.7	Very low	29.5	Very low	150 Å²	150	135.5 Å²	135.5	79%	0.785	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-21.4	-175.5	-96.4	160.3	0	0	0	114.3	I1105	I1105-L1108 PolarHBondContact O-N 3.16Å
1109	L	31.9	Very low	29.3	Very low	155 Å²	155	138.8 Å²	138.8	81%	0.812	76%	0.763	S	S	*	*	S	Bend	trans	-95.5	-9.2	-171.4	-68.4	168.3	0	0	0	115.1
1110	D	32.3	Very low	29	Very low	141 Å²	141	135.7 Å²	135.7	75%	0.754	76%	0.761	S	S	*	*			trans	-102.2	-3.3	-162.9	-114.3	-12.3	0	0	0	115.7	K1112	D1110-K1112 PolarHBondContact O-N 3.49Å
1111	K	28.1	Very low	28.8	Very low	204 Å²	204	134.2 Å²	134.2	89%	0.887	76%	0.76	S	S	*	*			trans	-90.5	90.4	-178.3	-86.2	-165.8	171.5	-173.5	0	113.6
1112	K	27	Very low	28.8	Very low	214 Å²	214	136.7 Å²	136.7	93%	0.93	77%	0.768	S	S	*	*			trans	-74.2	130.6	155.1	-70.1	-178.3	177.3	-179.6	0	110.6	D1110	D1110-K1112 PolarHBondContact O-N 3.49Å
1113	G	25.4	Very low	28.8	Very low	83 Å²	83	135 Å²	135	86%	0.856	76%	0.762	S	S	*	*			trans	131.3	116.3	151.4	0	0	0	0	0	117.4
1114	G	25.1	Very low	28.7	Very low	76 Å²	76	130.7 Å²	130.7	78%	0.784	74%	0.744	S	S	*	*			trans	100.2	130.9	143.4	0	0	0	0	0	118.6
1115	S	26.4	Very low	28.4	Very low	126 Å²	126	133.6 Å²	133.6	88%	0.881	74%	0.739	S	S	*	*			trans	75	160.4	163.6	-146.9	0	0	0	0	118.6
1116	T	27.2	Very low	28.3	Very low	112 Å²	112	134.3 Å²	134.3	69%	0.687	74%	0.741	S	S	*	*			trans	-100.1	172.6	-168.2	53.2	0	0	0	0	114
1117	D	26.5	Very low	28.2	Very low	147 Å²	147	129 Å²	129	79%	0.786	72%	0.724	S	S	*	*			trans	74.3	119.1	160.8	-48.2	-50.7	0	0	0	117.8
1118	G	26.3	Very low	28.1	Very low	76 Å²	76	118.9 Å²	118.9	78%	0.784	69%	0.687	S	S	*	*			trans	162.4	51.4	-178.1	0	0	0	0	0	115.7
1119	H	28.4	Very low	28	Very low	181 Å²	181	114.3 Å²	114.3	84%	0.838	66%	0.663	S	S	*	*			trans	-65.8	137.6	175.1	-64.3	-93.7	0	0	0	112.1
1120	L	27.1	Very low	27.8	Very low	132 Å²	132	111.4 Å²	111.4	69%	0.691	64%	0.644	S	S	*	*	S	Bend	trans	-175	-27.1	144.4	-108.1	159.3	0	0	0	116.2	F1088	F1088-L1120 HydrophobicContact CE2-CD2 4.39Å
1121	L	26.1	Very low	27.6	Very low	133 Å²	133	107.9 Å²	107.9	70%	0.696	62%	0.624	S	S	*	*	S	Bend	trans	-132.3	4.1	-162	-96.1	175.3	0	0	0	118.4	F1088	F1088-L1121 HydrophobicContact CD2-CD1 4.42Å; F1088-L1121 HydrophobicContact CE1-CD1 4.14Å; F1088-L1121 HydrophobicContact CE2-CD1 3.84Å; F1088-L1121 HydrophobicContact CE2-CD2 4.3Å; F1088-L1121 HydrophobicContact CE2-CG 3.9Å; F1088-L1121 HydrophobicContact CZ-CD1 3.7Å; F1088-L1121 HydrophobicContact CZ-CD2 3.76Å; F1088-L1121 HydrophobicContact CZ-CG 3.82Å
1122	S	26.4	Very low	27.6	Very low	110 Å²	110	105.3 Å²	105.3	77%	0.769	62%	0.619	S	S	*	*	S	Bend	trans	-117.4	158	-179.6	53.3	0	0	0	0	113.6	S1124	S1122-S1124 VanDerWaalsContact C-N 3.3Å; S1122-S1124 PolarHBondContact O-N 3.28Å
1123	A	28.4	Very low	27.6	Very low	79 Å²	79	96.5 Å²	96.5	65%	0.653	59%	0.586	S	S	*	*	S	Bend	trans	65.5	-21.2	173.5	0	0	0	0	0	120	K1127	A1123-K1127 WeakPolarHBondContact O-CB 3.34Å
1124	S	29.7	Very low	27.6	Very low	51 Å²	51	98.5 Å²	98.5	36%	0.357	58%	0.584	S	S	.	*	H	α-helix	trans	-79.6	-49.5	-174.4	-170.3	0	0	0	0	115.2	S1122 E1126 K1127 T1128	S1122-S1124 VanDerWaalsContact C-N 3.3Å; S1122-S1124 PolarHBondContact O-N 3.28Å; S1124-E1126 VanDerWaalsContact C-N 3.33Å; S1124-E1126 PolarHBondContact O-N 3.27Å; S1124-K1127 WeakPolarHBondContact O-CB 3.49Å; S1124-K1127 PolarHBondContact O-N 2.83Å; S1124-K1127 VanDerWaalsContact O-N 3.12Å; S1124-T1128 PolarHBondContact O-N 2.95Å; S1124-T1128 PolarHBondContact O-OG1 2.99Å
1125	F	28.7	Very low	27.6	Very low	123 Å²	123	102.5 Å²	102.5	54%	0.539	59%	0.587	S	S	.	*	H	α-helix	trans	-63.8	-37.8	-175.9	-165.7	-107.5	0	0	0	112.7	K1127 T1128 L1129	F1125-K1127 VanDerWaalsContact C-N 3.33Å; F1125-K1127 PolarHBondContact O-N 3.33Å; F1125-T1128 PolarHBondContact O-N 3.5Å; F1125-L1129 HydrophobicContact CD1-CD1 3.88Å; F1125-L1129 HydrophobicContact CE1-CD1 3.67Å; F1125-L1129 HydrophobicContact CZ-CD1 4.4Å; F1125-L1129 PolarHBondContact O-N 2.87Å; F1125-L1129 VanDerWaalsContact O-N 3.08Å
1126	E	30.5	Very low	27.5	Very low	91 Å²	91	104.9 Å²	104.9	43%	0.425	58%	0.582	S	S	.	*	H	α-helix	trans	-65.6	-34.9	175.5	-165.8	-172.4	156.8	0	0	112.4	S1124 K1130 Q1373	S1124-E1126 VanDerWaalsContact C-N 3.33Å; S1124-E1126 PolarHBondContact O-N 3.27Å; E1126-K1130 WeakPolarHBondContact O-CB 3.46Å; E1126-K1130 WeakPolarHBondContact O-CD 3.24Å; E1126-K1130 VanDerWaalsContact O-CG 3.24Å; E1126-K1130 WeakPolarHBondContact O-CG 3.34Å; E1126-K1130 PolarHBondContact O-N 3.01Å; E1126-K1130 IonicContact OE1-NZ 3.54Å; E1126-K1130 PolarHBondContact OE1-NZ 2.64Å; E1126-Q1373 PolarHBondContact OE1-NE2 2.97Å; E1126-Q1373 PolarHBondContact OE1-OE1 2.92Å; E1126-Q1373 VanDerWaalsContact OE1-OE1 3.13Å
1127	K	29.2	Very low	27.4	Very low	98 Å²	98	105.2 Å²	105.2	43%	0.426	58%	0.584	S	S	.	*	H	α-helix	trans	-72.1	-36	176.6	-151.2	-177.8	-174.3	-168	0	111.5	A1123 S1124 F1125 K1130 M1131	A1123-K1127 WeakPolarHBondContact O-CB 3.34Å; S1124-K1127 WeakPolarHBondContact O-CB 3.49Å; S1124-K1127 PolarHBondContact O-N 2.83Å; S1124-K1127 VanDerWaalsContact O-N 3.12Å; F1125-K1127 VanDerWaalsContact C-N 3.33Å; F1125-K1127 PolarHBondContact O-N 3.33Å; K1127-K1130 WeakPolarHBondContact O-CB 3Å; K1127-K1130 PolarHBondContact O-N 3.3Å; K1127-M1131 PolarHBondContact O-N 3.46Å
1128	T	28.5	Very low	27.4	Very low	15 Å²	15	103.3 Å²	103.3	9%	0.092	59%	0.589	C	S	.	*	H	α-helix	trans	-67.8	-46.4	176.9	-63.7	0	0	0	0	112.3	M1006 L1009 S1124 F1125 K1130 M1131	M1006-T1128 HydrophobicContact CE-CG2 3.97Å; M1006-T1128 HydrophobicContact SD-CG2 4Å; M1006-T1128 PolarHBondContact SD-OG1 2.88Å; M1006-T1128 VanDerWaalsContact SD-OG1 3.32Å; L1009-T1128 HydrophobicContact CD1-CG2 3.75Å; S1124-T1128 PolarHBondContact O-N 2.95Å; S1124-T1128 PolarHBondContact O-OG1 2.99Å; F1125-T1128 PolarHBondContact O-N 3.5Å; T1128-K1130 PolarHBondContact O-N 3.09Å; T1128-M1131 PolarHBondContact O-N 3.14Å
1129	L	29.4	Very low	27.2	Very low	54 Å²	54	104.4 Å²	104.4	28%	0.283	58%	0.584	S	S	.	*	H	α-helix	trans	-59.3	-37.9	174	-76.3	163	0	0	0	111.1	F1125 M1131 L1132 L1372 I1374	F1125-L1129 HydrophobicContact CD1-CD1 3.88Å; F1125-L1129 HydrophobicContact CE1-CD1 3.67Å; F1125-L1129 HydrophobicContact CZ-CD1 4.4Å; F1125-L1129 PolarHBondContact O-N 2.87Å; F1125-L1129 VanDerWaalsContact O-N 3.08Å; L1129-M1131 PolarHBondContact O-N 3.47Å; L1129-L1132 PolarHBondContact O-N 3.07Å; L1129-L1372 HydrophobicContact CD2-CD2 3.87Å; L1129-I1374 WeakPolarHBondContact O-CD1 3.4Å
1130	K	27.9	Very low	27.1	Very low	94 Å²	94	101.2 Å²	101.2	41%	0.409	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.5	-11.1	173.9	-75.4	168.4	-178.4	171.1	0	115.4	E1126 K1127 T1128 I1374	E1126-K1130 WeakPolarHBondContact O-CB 3.46Å; E1126-K1130 WeakPolarHBondContact O-CD 3.24Å; E1126-K1130 VanDerWaalsContact O-CG 3.24Å; E1126-K1130 WeakPolarHBondContact O-CG 3.34Å; E1126-K1130 PolarHBondContact O-N 3.01Å; E1126-K1130 IonicContact OE1-NZ 3.54Å; E1126-K1130 PolarHBondContact OE1-NZ 2.64Å; K1127-K1130 WeakPolarHBondContact O-CB 3Å; K1127-K1130 PolarHBondContact O-N 3.3Å; T1128-K1130 PolarHBondContact O-N 3.09Å; K1130-I1374 HydrophobicContact CG-CD1 4.47Å; K1130-I1374 HydrophobicContact CG-CG1 4.33Å
1131	M	27.9	Very low	27.1	Very low	67 Å²	67	102 Å²	102	33%	0.33	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.3	-13.3	176.2	-73.3	-179	168.7	0	0	114.4	L1009 L1013 A1014 K1127 T1128 L1129 A1133	L1009-M1131 HydrophobicContact CB-SD 4.41Å; L1009-M1131 HydrophobicContact CD2-SD 4.09Å; L1009-M1131 WeakPolarHBondContact O-CE 3.41Å; L1013-M1131 HydrophobicContact CB-CE 3.87Å; L1013-M1131 HydrophobicContact CB-SD 3.88Å; L1013-M1131 WeakPolarHBondContact O-CE 3.29Å; A1014-M1131 HydrophobicContact CB-CE 4.43Å; K1127-M1131 PolarHBondContact O-N 3.46Å; T1128-M1131 PolarHBondContact O-N 3.14Å; L1129-M1131 PolarHBondContact O-N 3.47Å; M1131-A1133 VanDerWaalsContact C-N 3.34Å
1132	L	27.9	Very low	27.1	Very low	149 Å²	149	105.4 Å²	105.4	78%	0.78	57%	0.573	S	S	*	*	S	Bend	trans	-93	14.6	-177.3	-75.3	168.1	0	0	0	114.1	L1129	L1129-L1132 PolarHBondContact O-N 3.07Å
1133	A	27.1	Very low	27.2	Very low	30 Å²	30	105.3 Å²	105.3	25%	0.248	57%	0.57	C	S	.	*	S	Bend	trans	-140.4	142.3	174.5	0	0	0	0	0	111	M1131 N1135 I1374	M1131-A1133 VanDerWaalsContact C-N 3.34Å; A1133-N1135 PolarHBondContact O-N 3.36Å; A1133-N1135 VanDerWaalsContact O-N 3.14Å; A1133-I1374 HydrophobicContact CB-CB 4.34Å; A1133-I1374 HydrophobicContact CB-CD1 3.89Å; A1133-I1374 HydrophobicContact CB-CG2 3.74Å
1134	P	25.4	Very low	27	Very low	125 Å²	125	110.3 Å²	110.3	81%	0.812	58%	0.577	S	S	*	*			trans	-79.3	101.4	-165.1	29.7	-35.6	0	0	0	114.6	F1136	P1134-F1136 PolarHBondContact O-N 3.4Å
1135	N	25.4	Very low	26.8	Very low	159 Å²	159	113.9 Å²	113.9	85%	0.85	59%	0.592	S	S	*	*	S	Bend	trans	41.7	57.4	141.6	-66.9	-12.2	0	0	0	118.8	A1133	A1133-N1135 PolarHBondContact O-N 3.36Å; A1133-N1135 VanDerWaalsContact O-N 3.14Å
1136	F	23.8	Very low	26.7	Very low	177 Å²	177	118 Å²	118	78%	0.776	60%	0.604	S	S	*	*			trans	-142.9	155.3	159.8	-114.1	-91.6	0	0	0	111.6	P1134	P1134-F1136 PolarHBondContact O-N 3.4Å
1137	V	25	Very low	26.5	Very low	119 Å²	119	119.9 Å²	119.9	72%	0.721	62%	0.617	S	S	*	*			trans	70	90.5	179.5	-167.9	0	0	0	0	115.8
1138	A	25.6	Very low	26.3	Very low	107 Å²	107	120.2 Å²	120.2	88%	0.884	63%	0.627	S	S	*	*			trans	-150.1	47.1	169	0	0	0	0	0	114.3
1139	S	23.6	Very low	26.1	Very low	98 Å²	98	127.2 Å²	127.2	69%	0.685	66%	0.659	S	S	*	*	S	Bend	trans	-151	159.2	155.7	69.6	0	0	0	0	110
1140	Y	24.8	Very low	26	Very low	114 Å²	114	132 Å²	132	45%	0.447	68%	0.684	S	S	.	*			trans	73.5	152.5	-169.8	-78.5	-100	0	0	0	116.8	S1026 E1027	S1026-Y1140 WeakPolarHBondContact CA-OH 3.38Å; E1027-Y1140 HydrophobicContact CB-CE1 4.31Å; E1027-Y1140 HydrophobicContact CB-CE2 3.91Å; E1027-Y1140 HydrophobicContact CG-CD1 4.29Å; E1027-Y1140 HydrophobicContact CG-CD2 3.86Å; E1027-Y1140 HydrophobicContact CG-CE1 4.03Å; E1027-Y1140 HydrophobicContact CG-CE2 3.58Å; E1027-Y1140 HydrophobicContact CG-CG 4.2Å; E1027-Y1140 PolarHBondContact N-OH 3.13Å; E1027-Y1140 VanDerWaalsContact OE1-CD1 3.25Å; E1027-Y1140 WeakPolarHBondContact OE1-CD1 3.37Å; E1027-Y1140 VanDerWaalsContact OE1-CG 3.24Å; E1027-Y1140 WeakPolarHBondContact OE2-CD1 3.44Å; E1027-Y1140 WeakPolarHBondContact OE2-CE1 3.43Å
1141	L	27.2	Very low	25.9	Very low	150 Å²	150	131.6 Å²	131.6	79%	0.785	69%	0.692	S	S	*	*			trans	66.4	127.2	-151.3	-52.3	177.3	0	0	0	112.2
1142	R	27	Very low	25.7	Very low	204 Å²	204	136.3 Å²	136.3	77%	0.77	71%	0.711	S	S	*	*			cis	-150.2	171.8	3.7	-108.7	174.2	-172.5	-168.9	3.8	111.5
1143	P	27.2	Very low	25.5	Very low	108 Å²	108	140 Å²	140	70%	0.701	71%	0.714	S	S	*	*			trans	-115	-178	-161.4	43.3	-37.3	0	0	0	117.1
1144	K	24.8	Very low	25.5	Very low	184 Å²	184	142.4 Å²	142.4	80%	0.8	73%	0.729	S	S	*	*			trans	97.9	126.5	153.9	-71.8	178.9	176	176.6	0	120.8
1145	N	26.8	Very low	25.6	Very low	126 Å²	126	146.4 Å²	146.4	67%	0.674	73%	0.734	S	S	*	*			trans	77.6	123.3	141.2	-80.8	-21.5	0	0	0	121.8
1146	R	25.6	Very low	25.7	Very low	209 Å²	209	142.2 Å²	142.2	79%	0.789	73%	0.728	S	S	*	*			trans	73.1	142.9	139.8	-68.6	-179.9	-164.6	-171.2	2.2	116.7
1147	D	25.9	Very low	26.2	Very low	130 Å²	130	139.5 Å²	139.5	70%	0.695	73%	0.728	S	S	*	*			cis	-157.6	168.3	9.7	-122.2	-31.9	0	0	0	113.4
1148	V	25.5	Very low	26.3	Very low	105 Å²	105	141.4 Å²	141.4	64%	0.636	74%	0.735	S	S	*	*			trans	71.4	98.2	145.9	169.9	0	0	0	0	121.5
1149	Q	24.8	Very low	26.4	Very low	163 Å²	163	141.8 Å²	141.8	76%	0.762	73%	0.726	S	S	*	*				83.7	150.9	123.1	-67.8	-175.2	12.1	0	0	125.2
1150	L	26.3	Very low	26.5	Very low	154 Å²	154	144.4 Å²	144.4	81%	0.806	73%	0.725	S	S	*	*			trans	71.8	141.3	162.5	-64.8	152.5	0	0	0	118.9
1151	C	25.4	Very low	26.5	Very low	86 Å²	86	143.1 Å²	143.1	58%	0.581	73%	0.729	S	S	*	*			cis	-166.7	130.8	-39.7	-125.7	0	0	0	0	112.3
1152	K	24	Very low	26.5	Very low	165 Å²	165	138.1 Å²	138.1	72%	0.717	71%	0.706	S	S	*	*			trans	56.4	120.1	143.6	-63.8	167.3	-175	169.3	0	121.5
1153	R	25	Very low	26.3	Very low	226 Å²	226	134.1 Å²	134.1	85%	0.853	69%	0.694	S	S	*	*			trans	73.2	149.6	131.5	-66.2	175	-179.7	179.1	-3.3	118.6
1154	S	25.7	Very low	26.2	Very low	81 Å²	81	133.4 Å²	133.4	57%	0.566	69%	0.69	S	S	*	*			cis	-176.8	153.8	-14.9	49.1	0	0	0	0	112.1
1155	F	28	Very low	26.2	Very low	210 Å²	210	135.1 Å²	135.1	92%	0.921	69%	0.692	S	S	*	*			trans	66.8	150.5	173	-53.8	-79.1	0	0	0	116.5
1156	G	27.8	Very low	26.2	Very low	70 Å²	70	136.7 Å²	136.7	72%	0.722	69%	0.693	S	S	*	*			cis	-166.3	157.5	-5.8	0	0	0	0	0	111.1
1157	P	33.2	Very low	26.1	Very low	120 Å²	120	130.6 Å²	130.6	78%	0.779	68%	0.682	S	S	*	*			trans	-118.9	150.9	-141.4	39.1	-30.2	0	0	0	117.5
1158	N	27.5	Very low	26	Very low	159 Å²	159	130.1 Å²	130.1	85%	0.85	68%	0.684	S	S	*	*			trans	-176.6	146.1	143.4	-103.7	-47.6	0	0	0	114.3
1159	V	27.5	Very low	26	Very low	116 Å²	116	127.4 Å²	127.4	70%	0.703	66%	0.664	S	S	*	*			trans	68.9	138.7	167.1	-138.9	0	0	0	0	120
1160	F	25.6	Very low	26.1	Very low	152 Å²	152	122.8 Å²	122.8	67%	0.667	65%	0.648	S	S	*	*			trans	67.3	143.6	175.6	-58.3	-94.1	0	0	0	117.5
1161	V	26.6	Very low	26.1	Very low	87 Å²	87	122.4 Å²	122.4	53%	0.527	64%	0.64	S	S	.	*				-163.5	-23.8	-72.9	140	0	0	0	0	123.7	F737	F737-V1161 HydrophobicContact CB-CG1 4.47Å; F737-V1161 HydrophobicContact CD1-CG1 3.78Å; F737-V1161 HydrophobicContact CD2-CG1 3.26Å; F737-V1161 HydrophobicContact CE1-CG1 3.69Å; F737-V1161 HydrophobicContact CE2-CG1 3.2Å; F737-V1161 HydrophobicContact CG-CG1 3.56Å; F737-V1161 HydrophobicContact CZ-CG1 3.41Å; F737-V1161 VanDerWaalsContact CZ-CG1 3.41Å
1162	P	27.1	Very low	26.1	Very low	46 Å²	46	119.7 Å²	119.7	30%	0.299	62%	0.621	S	S	.	*				-133.1	168	-124.4	6.1	25.2	0	0	0	120.1	F737 E738	F737-P1162 HydrophobicContact CB-CB 3.38Å; F737-P1162 VanDerWaalsContact CD1-CA 3.44Å; F737-P1162 HydrophobicContact CD1-CB 4.07Å; F737-P1162 HydrophobicContact CG-CB 3.86Å; E738-P1162 WeakPolarHBondContact O-CB 3.31Å; E738-P1162 WeakPolarHBondContact O-CG 3.22Å
1163	K	23	Very low	26.3	Very low	120 Å²	120	114.5 Å²	114.5	52%	0.522	60%	0.601	S	S	.	*			cis	-157.8	157	-8.4	-169.7	160.4	176.7	-176.8	0	115.9	F737	F737-K1163 HydrophobicContact CB-CB 3.37Å; F737-K1163 HydrophobicContact CB-CD 3.67Å; F737-K1163 HydrophobicContact CB-CG 3.48Å; F737-K1163 VanDerWaalsContact CB-CG 3.48Å; F737-K1163 HydrophobicContact CG-CB 4.46Å; F737-K1163 WeakPolarHBondContact O-CB 3.46Å; F737-K1163 WeakPolarHBondContact O-CD 3.35Å
1164	C	25	Very low	26.3	Very low	92 Å²	92	110.7 Å²	110.7	62%	0.622	59%	0.588	S	S	*	*			trans	59.9	136.4	155.5	-92	0	0	0	0	122.3
1165	R	24.5	Very low	26.4	Very low	221 Å²	221	109.7 Å²	109.7	83%	0.834	59%	0.591	S	S	*	*				63	138.7	85.8	-72.5	-170.9	172.4	-174.1	-1.9	114.9
1166	F	25.6	Very low	26.3	Very low	159 Å²	159	108.9 Å²	108.9	70%	0.697	58%	0.581	S	S	*	*			cis	-133	153	42	-69.5	-102.2	0	0	0	113.6
1167	S	23.4	Very low	26.2	Very low	81 Å²	81	108.7 Å²	108.7	57%	0.566	57%	0.568	S	S	*	*				64.7	138.7	87.7	-129.7	0	0	0	0	115.2
1168	V	25.4	Very low	25.9	Very low	120 Å²	120	105.3 Å²	105.3	73%	0.727	55%	0.545	S	S	*	.				-155.1	142.7	59.8	164.6	0	0	0	0	113.7
1169	E	25	Very low	26	Very low	48 Å²	48	99.4 Å²	99.4	22%	0.224	51%	0.511	C	S	.	.			trans	28.7	162.9	151.3	-68.1	-41.5	86.9	0	0	125.3	T862 R866	T862-E1169 HydrophobicContact CG2-CG 4.2Å; T862-E1169 VanDerWaalsContact CG2-OE1 3.32Å; T862-E1169 WeakPolarHBondContact CG2-OE1 3.49Å; R866-E1169 WeakPolarHBondContact CG-OE2 3.39Å; R866-E1169 IonicContact CZ-OE1 3.36Å; R866-E1169 IonicContact CZ-OE2 3.11Å; R866-E1169 VanDerWaalsContact NE-CD 3.33Å; R866-E1169 IonicContact NE-OE1 2.74Å; R866-E1169 PolarHBondContact NE-OE1 3.02Å; R866-E1169 IonicContact NE-OE2 2.69Å; R866-E1169 PolarHBondContact NE-OE2 3.04Å; R866-E1169 IonicContact NH2-OE1 3.16Å; R866-E1169 PolarHBondContact NH2-OE1 2.78Å; R866-E1169 IonicContact NH2-OE2 3.98Å
1170	P	27	Very low	26	Very low	66 Å²	66	94.3 Å²	94.3	43%	0.429	48%	0.479	S	S	.	.			cis	-128.4	167.1	7.8	21.9	3	0	0	0	118	L1324	P1170-L1324 HydrophobicContact CG-CD1 3.45Å; P1170-L1324 VanDerWaalsContact CG-CD1 3.45Å; P1170-L1324 HydrophobicContact CG-CD2 4.08Å; P1170-L1324 HydrophobicContact CG-CG 3.54Å
1171	F	25.5	Very low	26.2	Very low	145 Å²	145	91.3 Å²	91.3	64%	0.636	47%	0.466	S	S	*	.			trans	-106.5	161.3	156.9	-101.9	-97	0	0	0	110.3
1172	P	26.7	Very low	26.1	Very low	29 Å²	29	88.6 Å²	88.6	19%	0.188	45%	0.45	C	S	.	.				-153.8	170.3	111.6	42.1	-26.9	0	0	0	117.2	N1322	P1172-N1322 HydrophobicContact CG-CB 3.46Å; P1172-N1322 VanDerWaalsContact CG-CB 3.46Å; P1172-N1322 WeakPolarHBondContact CG-OD1 3.39Å
1173	I	26.8	Very low	26.1	Very low	56 Å²	56	88 Å²	88	29%	0.287	44%	0.444	S	S	.	.			trans	71.8	116.9	151.2	-67.4	149.6	0	0	0	119.5	S869 T873	S869-I1173 WeakPolarHBondContact O-CG1 3.34Å; T873-I1173 HydrophobicContact CG2-CD1 3.48Å; T873-I1173 VanDerWaalsContact CG2-CD1 3.48Å; T873-I1173 HydrophobicContact CG2-CG1 3.91Å; T873-I1173 HydrophobicContact CG2-CG2 4.45Å
1174	Y	26.1	Very low	26.5	Very low	146 Å²	146	84.3 Å²	84.3	57%	0.573	43%	0.43	S	S	*	.			trans	51.1	134.9	170	-49.9	-51.8	0	0	0	119.7	T873	T873-Y1174 WeakPolarHBondContact CB-OH 3.49Å; T873-Y1174 PolarHBondContact OG1-OH 3.32Å
1175	G	26.6	Very low	26.8	Very low	61 Å²	61	81.1 Å²	81.1	63%	0.629	41%	0.411	S	S	*	.			cis	175.1	133.3	-7.4	0	0	0	0	0	115.2
1176	W	26	Very low	27.5	Very low	192 Å²	192	72 Å²	72	73%	0.727	38%	0.379	S	S	*	.			trans	73.4	144.9	146.2	-76.6	75.9	0	0	0	122.3	K1847	W1176-K1847 PolarHBondContact O-NZ 3.29Å; W1176-K1847 VanDerWaalsContact O-NZ 3.17Å
1177	P	26	Very low	27.9	Very low	67 Å²	67	69.1 Å²	69.1	44%	0.435	37%	0.366	S	S	.	.				-126.5	-178.1	-114.9	44.5	-35.2	0	0	0	113.6	K1847	P1177-K1847 VanDerWaalsContact C-CD 3.48Å; P1177-K1847 WeakPolarHBondContact O-CE 3.1Å; P1177-K1847 PolarHBondContact O-NZ 3.44Å
1178	T	27.9	Very low	28.6	Very low	49 Å²	49	65.5 Å²	65.5	30%	0.301	34%	0.34	S	S	.	.			trans	58	138.8	166.8	51	0	0	0	0	117.8	V1845 K1847	T1178-V1845 VanDerWaalsContact C-CG1 3.45Å; T1178-V1845 CarbonylContact C-O 3.56Å; T1178-V1845 VanDerWaalsContact CA-O 3.3Å; T1178-V1845 WeakPolarHBondContact CA-O 3.32Å; T1178-V1845 WeakPolarHBondContact CB-O 3.16Å; T1178-V1845 VanDerWaalsContact CG2-O 3.27Å; T1178-V1845 WeakPolarHBondContact CG2-O 3.31Å; T1178-K1847 VanDerWaalsContact C-CB 3.44Å; T1178-K1847 VanDerWaalsContact C-CG 3.42Å; T1178-K1847 WeakPolarHBondContact O-CD 3.42Å; T1178-K1847 WeakPolarHBondContact O-CE 3.47Å; T1178-K1847 WeakPolarHBondContact O-CG 3.23Å
1179	R	28.2	Very low	29	Very low	35 Å²	35	59.9 Å²	59.9	13%	0.132	31%	0.306	C	S	.	.			trans	145.3	121	152.6	-153.2	166.5	-142.1	-99.8	14.5	117.9	A1715 P1716 T1717 E1761 M1762 A1763 V1845 L1846 K1847	R1179-A1715 PolarHBondContact NH1-O 3.41Å; R1179-P1716 PolarHBondContact NH1-O 2.79Å; R1179-T1717 WeakPolarHBondContact CD-OG1 3.25Å; R1179-E1761 HydrophobicContact CB-CB 3.6Å; R1179-E1761 HydrophobicContact CB-CG 3.79Å; R1179-E1761 HydrophobicContact CG-CB 3.79Å; R1179-E1761 HydrophobicContact CG-CG 4.49Å; R1179-E1761 WeakPolarHBondContact O-CA 3.35Å; R1179-M1762 CarbonylContact C-O 3.59Å; R1179-M1762 WeakPolarHBondContact CG-O 3.24Å; R1179-A1763 VanDerWaalsContact CZ-CB 3.49Å; R1179-A1763 VanDerWaalsContact NH2-CB 3.28Å; R1179-V1845 HydrophobicContact CB-CB 4.3Å; R1179-V1845 HydrophobicContact CB-CG1 3.35Å; R1179-V1845 HydrophobicContact CG-CB 4.27Å; R1179-V1845 HydrophobicContact CG-CG1 3.57Å; R1179-V1845 HydrophobicContact CG-CG2 4.35Å; R1179-V1845 PolarHBondContact N-O 2.85Å; R1179-L1846 VanDerWaalsContact C-N 3.34Å; R1179-L1846 CarbonylContact C-O 3.51Å; R1179-L1846 VanDerWaalsContact CA-N 3.3Å; R1179-L1846 CarbonylContact O-C 3.41Å; R1179-L1846 VanDerWaalsContact O-C 3.3Å; R1179-K1847 VanDerWaalsContact N-CA 3.31Å; R1179-K1847 WeakPolarHBondContact O-CA 3.2Å
1180	F	28.5	Very low	29.4	Very low	8 Å²	8	58.4 Å²	58.4	4%	0.035	30%	0.304	C	S	.	.			trans	-48.8	167	-143.9	-100.8	-107.7	0	0	0	122.5	M1762 V1764 V1844 V1845 L1846 L1882	F1180-M1762 WeakPolarHBondContact CA-O 3.48Å; F1180-M1762 HydrophobicContact CB-CG 3.29Å; F1180-M1762 VanDerWaalsContact CB-O 3.23Å; F1180-M1762 WeakPolarHBondContact CB-O 3.41Å; F1180-M1762 HydrophobicContact CB-SD 4.26Å; F1180-M1762 PolarHBondContact N-O 2.73Å; F1180-M1762 WeakPolarHBondContact O-CE 3.16Å; F1180-M1762 WeakPolarHBondContact O-CG 3.2Å; F1180-V1764 HydrophobicContact CB-CG2 3.85Å; F1180-V1764 HydrophobicContact CD1-CB 3.91Å; F1180-V1764 HydrophobicContact CD1-CG2 3.34Å; F1180-V1764 HydrophobicContact CD2-CB 4.03Å; F1180-V1764 HydrophobicContact CD2-CG2 4.02Å; F1180-V1764 HydrophobicContact CE1-CB 3.98Å; F1180-V1764 HydrophobicContact CE1-CG1 4.27Å; F1180-V1764 HydrophobicContact CE1-CG2 3.87Å; F1180-V1764 HydrophobicContact CE2-CB 4.16Å; F1180-V1764 HydrophobicContact CG-CB 3.98Å; F1180-V1764 HydrophobicContact CG-CG2 3.47Å; F1180-V1764 VanDerWaalsContact CG-CG2 3.47Å; F1180-V1764 HydrophobicContact CZ-CB 4.13Å; F1180-V1764 HydrophobicContact CZ-CG2 4.47Å; F1180-V1844 WeakPolarHBondContact CD2-O 3.4Å; F1180-V1844 HydrophobicContact CE2-CB 3.49Å; F1180-V1844 VanDerWaalsContact CE2-CB 3.49Å; F1180-V1844 HydrophobicContact CE2-CG1 3.68Å; F1180-V1844 VanDerWaalsContact CE2-O 3.31Å; F1180-V1844 WeakPolarHBondContact CE2-O 3.3Å; F1180-V1844 HydrophobicContact CZ-CB 4.03Å; F1180-V1844 HydrophobicContact CZ-CG1 4.16Å; F1180-V1845 VanDerWaalsContact CE2-N 3.26Å; F1180-L1846 CarbonylContact C-O 3.53Å; F1180-L1846 VanDerWaalsContact C-O 3.26Å; F1180-L1846 WeakPolarHBondContact CA-O 3.49Å; F1180-L1846 HydrophobicContact CB-CB 4.46Å; F1180-L1846 HydrophobicContact CB-CG 4.43Å; F1180-L1846 HydrophobicContact CD1-CB 4.44Å; F1180-L1846 HydrophobicContact CD1-CD1 3.47Å; F1180-L1846 VanDerWaalsContact CD1-CD1 3.47Å; F1180-L1846 HydrophobicContact CD1-CG 3.56Å; F1180-L1846 HydrophobicContact CD2-CB 4.12Å; F1180-L1846 HydrophobicContact CD2-CD1 4.44Å; F1180-L1846 HydrophobicContact CD2-CD2 4.35Å; F1180-L1846 HydrophobicContact CD2-CG 3.6Å; F1180-L1846 HydrophobicContact CE1-CD1 3.44Å; F1180-L1846 VanDerWaalsContact CE1-CD1 3.44Å; F1180-L1846 HydrophobicContact CE1-CD2 4.05Å; F1180-L1846 HydrophobicContact CE1-CG 3.52Å; F1180-L1846 HydrophobicContact CE2-CB 4.37Å; F1180-L1846 HydrophobicContact CE2-CD1 4.34Å; F1180-L1846 HydrophobicContact CE2-CD2 3.73Å; F1180-L1846 HydrophobicContact CE2-CG 3.46Å; F1180-L1846 VanDerWaalsContact CE2-CG 3.46Å; F1180-L1846 HydrophobicContact CG-CB 4.09Å; F1180-L1846 HydrophobicContact CG-CD1 3.98Å; F1180-L1846 HydrophobicContact CG-CG 3.59Å; F1180-L1846 HydrophobicContact CZ-CD1 3.89Å; F1180-L1846 HydrophobicContact CZ-CD2 3.58Å; F1180-L1846 HydrophobicContact CZ-CG 3.44Å; F1180-L1846 VanDerWaalsContact CZ-CG 3.44Å; F1180-L1846 PolarHBondContact N-O 3.39Å; F1180-L1846 VanDerWaalsContact N-O 3.14Å; F1180-L1882 HydrophobicContact CZ-CD1 4.07Å
1181	K	29.6	Very low	29.6	Very low	89 Å²	89	57 Å²	57	39%	0.387	29%	0.294	S	S	.	.			trans	29.8	132.4	147.8	-88.1	171.7	-170.6	176.9	0	123.4	F1714 M1762 L1846	K1181-F1714 HydrophobicContact CB-CE2 4.14Å; K1181-F1714 HydrophobicContact CB-CZ 4.48Å; K1181-F1714 HydrophobicContact CD-CE2 4.15Å; K1181-M1762 HydrophobicContact CB-SD 3.86Å; K1181-M1762 WeakPolarHBondContact O-CE 3.48Å; K1181-L1846 HydrophobicContact CG-CD1 4.44Å
1182	C	24.6	Very low	29.8	Very low	31 Å²	31	51.5 Å²	51.5	21%	0.209	27%	0.27	C	S	.	.			trans	-58.2	144	160.9	-60.6	0	0	0	0	112.4	Y1871	C1182-Y1871 VanDerWaalsContact SG-CB 3.51Å; C1182-Y1871 WeakPolarHBondContact SG-CD1 3.47Å
1183	N	25.9	Very low	29.6	Very low	32 Å²	32	50.3 Å²	50.3	17%	0.171	26%	0.263	C	S	.	.			trans	57.7	129.7	143.4	-56.5	-14.1	0	0	0	116	I1735 V1759	N1183-I1735 HydrophobicContact CB-CD1 4.5Å; N1183-V1759 VanDerWaalsContact OD1-CG2 3.31Å; N1183-V1759 WeakPolarHBondContact OD1-CG2 3.49Å
1184	N	32.7	Very low	29.6	Very low	43 Å²	43	47.6 Å²	47.6	23%	0.23	25%	0.249	C	C	.	.				-150.2	135.9	74.2	-104.3	3.5	0	0	0	109.2	I1699 I1735	N1184-I1699 WeakPolarHBondContact O-CD1 3.49Å; N1184-I1735 VanDerWaalsContact C-CD1 3.49Å
1185	A	30.5	Very low	29.7	Very low	26 Å²	26	44.9 Å²	44.9	22%	0.215	24%	0.241	C	C	.	.				55.7	124.1	55.8	0	0	0	0	0	108.3	I1696	A1185-I1696 HydrophobicContact CB-CD1 4.5Å
1186	N	39	Very low	29.9	Very low	29 Å²	29	46.2 Å²	46.2	16%	0.155	23%	0.234	C	C	.	.			cis	-163.5	150.4	44.5	-64.9	-67.6	0	0	0	107.3	M1802 V1804	N1186-M1802 HydrophobicContact CB-SD 3.77Å; N1186-M1802 WeakPolarHBondContact OD1-CE 3.46Å; N1186-M1802 PolarHBondContact OD1-SD 3.4Å; N1186-V1804 HydrophobicContact CB-CG2 4.3Å; N1186-V1804 WeakPolarHBondContact ND2-CG1 3.16Å
1187	K	35.5	Very low	30.2	Very low	99 Å²	99	39.6 Å²	39.6	43%	0.43	21%	0.213	S	C	.	.	S	Bend		-176.7	119.1	102.1	-95	-157.3	156.5	-85.5	0	108.1	L1679	K1187-L1679 HydrophobicContact CB-CD2 3.83Å; K1187-L1679 WeakPolarHBondContact O-CD1 3.46Å; K1187-L1679 WeakPolarHBondContact O-CD2 3.46Å
1188	D	36.8	Very low	30.4	Very low	5 Å²	5	41.4 Å²	41.4	3%	0.027	21%	0.214	C	C	.	.	S	Bend	cis	-136.4	-163.4	8.8	-78.7	-72.1	0	0	0	110.7	L1681 F1799 M1802	D1188-L1681 HydrophobicContact CB-CD1 4.16Å; D1188-L1681 VanDerWaalsContact O-CD1 3.3Å; D1188-L1681 WeakPolarHBondContact O-CD1 3.32Å; D1188-F1799 HydrophobicContact CB-CB 4.2Å; D1188-F1799 HydrophobicContact CB-CD1 3.54Å; D1188-F1799 HydrophobicContact CB-CE1 4.24Å; D1188-F1799 HydrophobicContact CB-CG 4.12Å; D1188-F1799 WeakPolarHBondContact OD2-CD1 3.4Å; D1188-M1802 VanDerWaalsContact CA-SD 3.55Å; D1188-M1802 HydrophobicContact CB-CB 4.3Å; D1188-M1802 WeakPolarHBondContact O-CE 3.36Å
1189	T	35.1	Very low	30.4	Very low	1 Å²	1	42.8 Å²	42.8	1%	0.006	22%	0.22	C	C	.	.			trans	34.9	123.1	163.4	73.4	0	0	0	0	118.5	L1681 I1692 F1801 M1802	T1189-L1681 WeakPolarHBondContact OG1-CD1 3.35Å; T1189-I1692 VanDerWaalsContact O-CG2 3.31Å; T1189-I1692 WeakPolarHBondContact O-CG2 3.46Å; T1189-F1801 VanDerWaalsContact CB-CE2 3.45Å; T1189-F1801 HydrophobicContact CG2-CB 4.14Å; T1189-F1801 HydrophobicContact CG2-CD1 3.91Å; T1189-F1801 HydrophobicContact CG2-CD2 3.24Å; T1189-F1801 HydrophobicContact CG2-CE1 4.02Å; T1189-F1801 HydrophobicContact CG2-CE2 3.34Å; T1189-F1801 HydrophobicContact CG2-CG 3.46Å; T1189-F1801 VanDerWaalsContact CG2-CG 3.46Å; T1189-F1801 HydrophobicContact CG2-CZ 3.74Å; T1189-M1802 HydrophobicContact CG2-CB 4.34Å; T1189-M1802 PolarHBondContact N-SD 3.29Å
1190	G	32.7	Very low	30.4	Very low	17 Å²	17	46.7 Å²	46.7	18%	0.175	24%	0.238	C	C	.	.			cis	149.2	-166.2	10.4	0	0	0	0	0	110.4	F1801	G1190-F1801 WeakPolarHBondContact CA-O 3.46Å
1191	V	31.1	Very low	30.4	Very low	38 Å²	38	52.1 Å²	52.1	23%	0.23	27%	0.271	C	S	.	.			trans	74.2	143.6	148	167	0	0	0	0	120.5	F1801	V1191-F1801 HydrophobicContact CG2-CB 4.13Å
1192	E	28.9	Very low	30.5	Very low	28 Å²	28	53.4 Å²	53.4	13%	0.131	29%	0.288	C	S	.	.			trans	-87.9	162.7	173.8	-48	104.6	-75.2	0	0	110.8	A1818 K1860 I1864	E1192-A1818 HydrophobicContact CG-CB 3.74Å; E1192-K1860 HydrophobicContact CB-CD 4.03Å; E1192-K1860 HydrophobicContact CB-CG 3.86Å; E1192-K1860 WeakPolarHBondContact CB-O 2.91Å; E1192-K1860 WeakPolarHBondContact O-CG 3.38Å; E1192-K1860 WeakPolarHBondContact OE1-CE 3.19Å; E1192-K1860 IonicContact OE1-NZ 3.73Å; E1192-K1860 PolarHBondContact OE1-NZ 3.18Å; E1192-K1860 WeakPolarHBondContact OE2-CE 3.18Å; E1192-K1860 IonicContact OE2-NZ 3.45Å; E1192-K1860 PolarHBondContact OE2-NZ 2.85Å; E1192-I1864 HydrophobicContact CG-CD1 4.15Å
1193	C	23.4	Very low	30.6	Very low	4 Å²	4	59.8 Å²	59.8	3%	0.027	32%	0.32	C	S	.	.			cis	-164.7	-147.3	-8	-115.9	0	0	0	0	115.4	S1859 K1860 N1861 T1862 L1863 I1864	C1193-S1859 CarbonylContact C-O 3.58Å; C1193-S1859 WeakPolarHBondContact CA-O 3.02Å; C1193-S1859 VanDerWaalsContact CB-O 3.31Å; C1193-S1859 WeakPolarHBondContact CB-O 3.44Å; C1193-K1860 WeakPolarHBondContact CB-O 3.35Å; C1193-N1861 VanDerWaalsContact CB-CA 3.43Å; C1193-N1861 PolarHBondContact SG-O 3.47Å; C1193-N1861 VanDerWaalsContact SG-O 3.36Å; C1193-T1862 PolarHBondContact SG-N 3.45Å; C1193-L1863 VanDerWaalsContact CA-CB 3.41Å; C1193-L1863 HydrophobicContact CB-CB 4.21Å; C1193-L1863 VanDerWaalsContact O-CB 3.24Å; C1193-L1863 WeakPolarHBondContact O-CB 3.44Å; C1193-L1863 PolarHBondContact SG-N 3.3Å; C1193-I1864 PolarHBondContact SG-N 3.3Å
1194	V	26.9	Very low	30.6	Very low	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.348	C	S	.	.			trans	-129.1	170.6	-170.7	125.6	0	0	0	0	109.2	R1853 M1858 S1859 T1862 L1863 E1866	V1194-R1853 HydrophobicContact CG2-CG 4.19Å; V1194-M1858 HydrophobicContact CB-CE 4.1Å; V1194-M1858 HydrophobicContact CB-SD 3.85Å; V1194-M1858 HydrophobicContact CG1-CE 3.95Å; V1194-M1858 HydrophobicContact CG1-SD 4.38Å; V1194-M1858 HydrophobicContact CG2-CE 3.57Å; V1194-M1858 HydrophobicContact CG2-SD 3.21Å; V1194-M1858 WeakPolarHBondContact CG2-SD 3.45Å; V1194-S1859 CarbonylContact C-O 3.55Å; V1194-S1859 PolarHBondContact N-O 2.96Å; V1194-S1859 VanDerWaalsContact O-O 3.07Å; V1194-S1859 PolarHBondContact O-OG 3Å; V1194-T1862 HydrophobicContact CG1-CG2 4.21Å; V1194-T1862 VanDerWaalsContact O-CB 3.24Å; V1194-T1862 WeakPolarHBondContact O-CB 3.47Å; V1194-T1862 PolarHBondContact O-N 2.88Å; V1194-T1862 PolarHBondContact O-OG1 3.47Å; V1194-L1863 HydrophobicContact CB-CB 3.37Å; V1194-L1863 HydrophobicContact CB-CD1 4.3Å; V1194-L1863 HydrophobicContact CB-CG 4.42Å; V1194-L1863 VanDerWaalsContact CB-N 3.32Å; V1194-L1863 HydrophobicContact CG2-CB 3.36Å; V1194-L1863 HydrophobicContact CG2-CD1 3.3Å; V1194-L1863 HydrophobicContact CG2-CG 3.89Å; V1194-E1866 HydrophobicContact CG1-CG 3.85Å; V1194-E1866 WeakPolarHBondContact CG1-OE2 3.4Å; V1194-E1866 VanDerWaalsContact CG2-OE2 3.23Å; V1194-E1866 WeakPolarHBondContact CG2-OE2 3.33Å
1195	E	27.7	Very low	30.4	Very low	88 Å²	88	68.3 Å²	68.3	41%	0.411	38%	0.378	S	S	.	.			trans	68.4	111.5	168.8	-99	151.6	-132.5	0	0	110.6	S1859 T1862	E1195-S1859 WeakPolarHBondContact O-CB 3.31Å; E1195-S1859 PolarHBondContact O-N 3.18Å; E1195-S1859 PolarHBondContact O-OG 2.86Å; E1195-S1859 VanDerWaalsContact O-OG 3.1Å; E1195-T1862 HydrophobicContact CB-CG2 4.46Å; E1195-T1862 WeakPolarHBondContact OE2-CG2 3.36Å
1196	D	31.6	Very low	30.3	Very low	89 Å²	89	71.5 Å²	71.5	48%	0.476	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	71.9	133.2	149.1	-77.6	33.3	0	0	0	116.2	I1749 F1857 S1859	D1196-I1749 WeakPolarHBondContact O-CG2 3.31Å; D1196-F1857 CarbonylContact C-O 3.43Å; D1196-F1857 WeakPolarHBondContact CA-O 3.26Å; D1196-F1857 PolarHBondContact N-O 3.33Å; D1196-S1859 PolarHBondContact O-N 2.83Å
1197	N	32.7	Very low	29.7	Very low	53 Å²	53	78.1 Å²	78.1	28%	0.283	44%	0.44	S	S	.	.			cis	-166.9	174.7	-6.7	-145.8	-48.1	0	0	0	107.7	I1749	N1197-I1749 WeakPolarHBondContact O-CB 3.21Å; N1197-I1749 WeakPolarHBondContact O-CD1 3.07Å; N1197-I1749 WeakPolarHBondContact O-CG2 3.33Å
1198	K	29.4	Very low	29.3	Very low	105 Å²	105	78.6 Å²	78.6	46%	0.457	46%	0.455	S	S	.	.			trans	65.7	133.3	157.2	-67.8	143	-155.9	154.7	0	117.1	F1857	K1198-F1857 VanDerWaalsContact C-CG 3.47Å; K1198-F1857 VanDerWaalsContact N-CB 3.34Å; K1198-F1857 WeakPolarHBondContact O-CD1 3.33Å; K1198-F1857 WeakPolarHBondContact O-CE1 3.41Å; K1198-F1857 WeakPolarHBondContact O-CG 3.35Å
1199	D	27.7	Very low	28.9	Very low	79 Å²	79	86 Å²	86	42%	0.422	49%	0.49	S	S	.	.			cis	-169.3	162	26.1	-126.6	-19.4	0	0	0	116.1	F1857	D1199-F1857 VanDerWaalsContact N-CE1 3.28Å
1200	K	28.3	Very low	28.5	Very low	117 Å²	117	94.2 Å²	94.2	51%	0.509	53%	0.528	S	S	.	.			trans	76.5	104.8	149.2	-67.6	168.4	-178.2	80.9	0	123.2
1201	V	28.5	Very low	28.3	Very low	122 Å²	122	98.6 Å²	98.6	74%	0.739	55%	0.552	S	S	*	*				59.8	151.2	102.9	170.6	0	0	0	0	119.8
1202	P	30.6	Very low	28.2	Very low	115 Å²	115	103.2 Å²	103.2	75%	0.747	57%	0.574	S	S	*	*			cis	-112.6	172	-7	20	3.5	0	0	0	113.7
1203	L	26.7	Very low	28.1	Very low	166 Å²	166	104.8 Å²	104.8	87%	0.869	59%	0.592	S	S	*	*			cis	89	97.8	28.9	-93.4	160.3	0	0	0	117.2
1204	A	27.5	Very low	28.3	Very low	93 Å²	93	108.7 Å²	108.7	77%	0.769	62%	0.619	S	S	*	*			trans	177.2	144.6	140.7	0	0	0	0	0	114
1205	D	27.6	Very low	28.4	Very low	160 Å²	160	113.7 Å²	113.7	86%	0.856	64%	0.641	S	S	*	*	S	Bend	trans	43.8	92.2	154.6	-65.7	7	0	0	0	123.1
1206	A	28.9	Very low	28.4	Very low	94 Å²	94	113.7 Å²	113.7	78%	0.777	65%	0.651	S	S	*	*			trans	-158.8	-12	148.6	0	0	0	0	0	115.2	S1208	A1206-S1208 PolarHBondContact O-N 2.65Å
1207	D	26.5	Very low	28.3	Very low	168 Å²	168	112.4 Å²	112.4	90%	0.898	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	81.4	-169.4	-75.3	-47.1	0	0	0	114.2
1208	S	26.6	Very low	28.2	Very low	108 Å²	108	113.9 Å²	113.9	76%	0.755	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.1	-19.9	165.1	-79.5	0	0	0	0	116.7	A1206	A1206-S1208 PolarHBondContact O-N 2.65Å
1209	Q	28.1	Very low	28.4	Very low	161 Å²	161	114.2 Å²	114.2	75%	0.752	67%	0.667	S	S	*	*	S	Bend	trans	-120.5	-19.9	-167	-69.3	-168.7	-9.3	0	0	117.7
1210	Q	27.4	Very low	28.5	Very low	174 Å²	174	115.9 Å²	115.9	81%	0.813	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-17.5	-177.8	-73.2	-166.8	-0.7	0	0	115	L1212 A1213	Q1210-L1212 PolarHBondContact O-N 2.91Å; Q1210-A1213 PolarHBondContact O-N 3.31Å
1211	V	28	Very low	28.7	Very low	109 Å²	109	116.3 Å²	116.3	66%	0.661	68%	0.683	S	S	*	*	H	α-helix	trans	-60.5	-35.5	173.6	175.4	0	0	0	0	111.3	A1213 F1215	V1211-A1213 VanDerWaalsContact C-N 3.34Å; V1211-A1213 PolarHBondContact O-N 3.44Å; V1211-F1215 HydrophobicContact CG1-CE2 4.02Å; V1211-F1215 VanDerWaalsContact O-CD2 3.25Å; V1211-F1215 WeakPolarHBondContact O-CD2 3.2Å
1212	L	29.5	Very low	28.8	Very low	135 Å²	135	114.6 Å²	114.6	71%	0.707	67%	0.669	S	S	*	*	H	α-helix	trans	-69.5	-25.6	178.4	-76.8	162.8	0	0	0	113.8	Q1210	Q1210-L1212 PolarHBondContact O-N 2.91Å
1213	A	27.4	Very low	28.9	Very low	61 Å²	61	119.1 Å²	119.1	50%	0.504	67%	0.671	S	S	.	*	H	α-helix	trans	-70.4	-37.1	-179.5	0	0	0	0	0	112.3	Q1210 V1211 F1215 S1216	Q1210-A1213 PolarHBondContact O-N 3.31Å; V1211-A1213 VanDerWaalsContact C-N 3.34Å; V1211-A1213 PolarHBondContact O-N 3.44Å; A1213-F1215 VanDerWaalsContact C-N 3.3Å; A1213-F1215 PolarHBondContact O-N 3.48Å; A1213-S1216 WeakPolarHBondContact O-CB 3.15Å; A1213-S1216 PolarHBondContact O-N 2.93Å; A1213-S1216 PolarHBondContact O-OG 3.5Å
1214	S	27.6	Very low	29.2	Very low	86 Å²	86	116.1 Å²	116.1	60%	0.601	66%	0.66	S	S	*	*	H	α-helix	trans	-66.1	-28.5	-178.3	-61.9	0	0	0	0	113.7	S1216 A1217	S1214-S1216 VanDerWaalsContact C-N 3.27Å; S1214-S1216 PolarHBondContact O-N 3.08Å; S1214-A1217 PolarHBondContact O-N 2.8Å
1215	F	28.1	Very low	29.6	Very low	104 Å²	104	115.6 Å²	115.6	46%	0.456	64%	0.644	S	S	.	*	H	α-helix	trans	-66.6	-27.1	176.7	-74	-78.7	0	0	0	112.9	V1211 A1213 A1217 I1218	V1211-F1215 HydrophobicContact CG1-CE2 4.02Å; V1211-F1215 VanDerWaalsContact O-CD2 3.25Å; V1211-F1215 WeakPolarHBondContact O-CD2 3.2Å; A1213-F1215 VanDerWaalsContact C-N 3.3Å; A1213-F1215 PolarHBondContact O-N 3.48Å; F1215-A1217 PolarHBondContact O-N 2.77Å; F1215-A1217 VanDerWaalsContact O-N 3.14Å; F1215-I1218 HydrophobicContact CD1-CD1 3.87Å; F1215-I1218 HydrophobicContact CE1-CD1 4.24Å; F1215-I1218 WeakPolarHBondContact O-CB 3.25Å; F1215-I1218 PolarHBondContact O-N 3.45Å
1216	S	28	Very low	30.4	Very low	88 Å²	88	112.5 Å²	112.5	62%	0.615	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-18.6	176.6	71.6	0	0	0	0	114.3	A1213 S1214	A1213-S1216 WeakPolarHBondContact O-CB 3.15Å; A1213-S1216 PolarHBondContact O-N 2.93Å; A1213-S1216 PolarHBondContact O-OG 3.5Å; S1214-S1216 VanDerWaalsContact C-N 3.27Å; S1214-S1216 PolarHBondContact O-N 3.08Å
1217	A	29.3	Very low	31.5	Very low	63 Å²	63	110.7 Å²	110.7	52%	0.521	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	-23.5	174.2	0	0	0	0	0	113.2	S1214 F1215 N1220	S1214-A1217 PolarHBondContact O-N 2.8Å; F1215-A1217 PolarHBondContact O-N 2.77Å; F1215-A1217 VanDerWaalsContact O-N 3.14Å; A1217-N1220 PolarHBondContact O-N 2.76Å
1218	I	31.3	Very low	33.1	Very low	84 Å²	84	104 Å²	104	43%	0.431	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-74.4	-28.8	-175.2	-60.9	-179.7	0	0	0	111.2	F1215 N1220 L1221 N1222	F1215-I1218 HydrophobicContact CD1-CD1 3.87Å; F1215-I1218 HydrophobicContact CE1-CD1 4.24Å; F1215-I1218 WeakPolarHBondContact O-CB 3.25Å; F1215-I1218 PolarHBondContact O-N 3.45Å; I1218-N1220 PolarHBondContact O-N 3.01Å; I1218-L1221 PolarHBondContact O-N 3.41Å; I1218-N1222 PolarHBondContact O-N 2.71Å
1219	D	32.1	Very low	35	Very low	112 Å²	112	101.3 Å²	101.3	60%	0.599	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-60	-18	174.5	-94.8	-21.7	0	0	0	114.6	N1222	D1219-N1222 PolarHBondContact OD1-ND2 3.16Å
1220	N	29.7	Very low	37.1	Very low	113 Å²	113	95.3 Å²	95.3	60%	0.604	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-87.5	-15.5	172.2	-75.9	-62.4	0	0	0	114	A1217 I1218	A1217-N1220 PolarHBondContact O-N 2.76Å; I1218-N1220 PolarHBondContact O-N 3.01Å
1221	L	32.5	Very low	39.5	Very low	127 Å²	127	88 Å²	88	67%	0.665	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-23.5	167.5	-84.2	89.7	0	0	0	112.6	I1218 R1223 T1224	I1218-L1221 PolarHBondContact O-N 3.41Å; L1221-R1223 PolarHBondContact O-N 3.35Å; L1221-T1224 PolarHBondContact O-N 3.49Å
1222	N	31.7	Very low	41.9	Very low	85 Å²	85	84.8 Å²	84.8	46%	0.455	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-2.9	178.8	-77	-21.6	0	0	0	115.2	I1218 D1219	I1218-N1222 PolarHBondContact O-N 2.71Å; D1219-N1222 PolarHBondContact OD1-ND2 3.16Å
1223	R	32.2	Very low	44.3	Very low	210 Å²	210	83.1 Å²	83.1	79%	0.792	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	1.1	-178.8	-66.9	-173	175.3	-167.3	-1.4	115.8	L1221	L1221-R1223 PolarHBondContact O-N 3.35Å
1224	T	32.5	Very low	46.8	Very low	103 Å²	103	80.9 Å²	80.9	63%	0.632	43%	0.431	S	S	*	.	S	Bend	trans	-141.4	22.3	-178.2	-14.3	0	0	0	0	114.5	L1221	L1221-T1224 PolarHBondContact O-N 3.49Å
1225	L	37.5	Very low	49.2	Very low	82 Å²	82	82.3 Å²	82.3	43%	0.429	43%	0.428	S	S	.	.			trans	-99.9	121.7	-175	-75.8	170.7	0	0	0	112.7	L1227 C1268	L1225-L1227 PolarHBondContact O-N 3Å; L1225-L1227 VanDerWaalsContact O-N 3.16Å; L1225-C1268 HydrophobicContact CD2-CB 4.09Å
1226	L	44.2	Very low	51.7	Low	96 Å²	96	79 Å²	79	50%	0.503	41%	0.414	S	S	.	.			trans	-63.2	106.5	170.2	-84.9	153.9	0	0	0	110.5	E1056 V1228	E1056-L1226 HydrophobicContact CB-CD2 3.84Å; E1056-L1226 HydrophobicContact CG-CD2 4.05Å; E1056-L1226 WeakPolarHBondContact OE1-CD2 3.48Å; E1056-L1226 WeakPolarHBondContact OE2-CD2 3.38Å; L1226-V1228 PolarHBondContact O-N 3.49Å; L1226-V1228 VanDerWaalsContact O-N 3.09Å
1227	L	52.3	Low	53.9	Low	55 Å²	55	76.9 Å²	76.9	29%	0.288	40%	0.396	S	S	.	.			trans	-72.6	101.7	172.7	-85.2	164.9	0	0	0	110.4	E1056 M1057 L1225	E1056-L1227 PolarHBondContact N-O 3.17Å; E1056-L1227 VanDerWaalsContact N-O 3.11Å; M1057-L1227 PolarHBondContact N-O 3.27Å; L1225-L1227 PolarHBondContact O-N 3Å; L1225-L1227 VanDerWaalsContact O-N 3.16Å
1228	V	58.1	Low	56.1	Low	27 Å²	27	74.2 Å²	74.2	16%	0.164	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.4	168.8	-176.8	0	0	0	0	108.6	M1057 L1226 S1264 S1265 W1266	M1057-V1228 HydrophobicContact CB-CB 4.43Å; M1057-V1228 HydrophobicContact CB-CG1 4.13Å; M1057-V1228 HydrophobicContact CB-CG2 4.18Å; M1057-V1228 HydrophobicContact CG-CG1 4.14Å; M1057-V1228 CarbonylContact O-C 3.57Å; M1057-V1228 WeakPolarHBondContact O-CA 3.24Å; M1057-V1228 HydrophobicContact SD-CG1 4.13Å; L1226-V1228 PolarHBondContact O-N 3.49Å; L1226-V1228 VanDerWaalsContact O-N 3.09Å; V1228-S1264 CarbonylContact O-C 3.55Å; V1228-S1264 VanDerWaalsContact O-CA 3.25Å; V1228-S1264 WeakPolarHBondContact O-CA 3.26Å; V1228-S1265 PolarHBondContact O-N 3.35Å; V1228-W1266 HydrophobicContact CG1-CG 4.43Å
1229	Q	68.4	Low	58	Low	52 Å²	52	73.7 Å²	73.7	24%	0.243	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.7	172.5	-178.1	179.7	4.9	0	0	109.8	V1055 M1057 K1058 A1059 D1262 I1263	V1055-Q1229 HydrophobicContact CG1-CB 4.44Å; M1057-Q1229 PolarHBondContact O-N 3.5Å; K1058-Q1229 CarbonylContact C-O 3.54Å; K1058-Q1229 VanDerWaalsContact CA-O 3.32Å; K1058-Q1229 WeakPolarHBondContact CA-O 3.26Å; K1058-Q1229 HydrophobicContact CG-CB 4.48Å; A1059-Q1229 PolarHBondContact N-O 2.84Å; Q1229-D1262 PolarHBondContact NE2-OD1 2.79Å; Q1229-I1263 CarbonylContact C-O 3.55Å; Q1229-I1263 WeakPolarHBondContact CA-O 3.39Å
1230	M	71.4	Confident	59.6	Low	35 Å²	35	69.1 Å²	69.1	17%	0.172	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	114.4	170.3	-179.4	-116.1	-161	0	0	109.5	A1059 F1061 F1232 D1262 I1263 W1266	A1059-M1230 HydrophobicContact CB-CB 3.83Å; A1059-M1230 HydrophobicContact CB-CG 3.6Å; A1059-M1230 CarbonylContact O-C 3.58Å; A1059-M1230 WeakPolarHBondContact O-CA 3.21Å; F1061-M1230 HydrophobicContact CB-CE 4.49Å; F1061-M1230 HydrophobicContact CD2-CE 3.39Å; F1061-M1230 HydrophobicContact CD2-CG 4.07Å; F1061-M1230 HydrophobicContact CD2-SD 4.48Å; F1061-M1230 HydrophobicContact CE2-CE 3.74Å; F1061-M1230 HydrophobicContact CE2-CG 4.26Å; F1061-M1230 HydrophobicContact CG-CE 4.1Å; M1230-F1232 HydrophobicContact SD-CD1 4.44Å; M1230-D1262 CarbonylContact O-C 3.52Å; M1230-I1263 HydrophobicContact CB-CB 4.47Å; M1230-I1263 PolarHBondContact N-O 3.5Å; M1230-I1263 PolarHBondContact O-N 3.22Å; M1230-I1263 HydrophobicContact SD-CD1 3.85Å; M1230-I1263 HydrophobicContact SD-CG1 4.3Å; M1230-W1266 HydrophobicContact CB-CH2 4.37Å; M1230-W1266 HydrophobicContact CB-CZ2 3.45Å; M1230-W1266 VanDerWaalsContact CB-CZ2 3.45Å; M1230-W1266 HydrophobicContact CE-CH2 4.47Å; M1230-W1266 HydrophobicContact CG-CH2 4.32Å; M1230-W1266 HydrophobicContact CG-CZ2 3.8Å; M1230-W1266 HydrophobicContact SD-CH2 3.98Å; M1230-W1266 HydrophobicContact SD-CZ2 3.58Å; M1230-W1266 VanDerWaalsContact SD-CZ2 3.58Å
1231	S	78	Confident	61.2	Low	21 Å²	21	66 Å²	66	15%	0.147	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	147.7	170.5	-44.6	0	0	0	0	110	A1059 L1060 F1061 G1261 D1262	A1059-S1231 PolarHBondContact O-N 3.18Å; L1060-S1231 CarbonylContact C-O 3.51Å; L1060-S1231 WeakPolarHBondContact CA-O 3.49Å; F1061-S1231 PolarHBondContact N-O 3.33Å; S1231-G1261 CarbonylContact C-O 3.59Å; S1231-G1261 VanDerWaalsContact CA-O 3.27Å; S1231-G1261 WeakPolarHBondContact CA-O 3.42Å; S1231-D1262 WeakPolarHBondContact CB-OD1 3.3Å; S1231-D1262 PolarHBondContact OG-OD1 3.37Å
1232	F	78	Confident	62.7	Low	42 Å²	42	61.8 Å²	61.8	18%	0.184	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.8	169.1	65.6	-84.8	0	0	0	110.3	F1061 M1230 L1259 S1260 G1261 I1263 I1272	F1061-F1232 HydrophobicContact CB-CB 4.44Å; F1061-F1232 CarbonylContact O-C 3.45Å; F1061-F1232 VanDerWaalsContact O-CA 3.25Å; F1061-F1232 WeakPolarHBondContact O-CA 3.42Å; M1230-F1232 HydrophobicContact SD-CD1 4.44Å; F1232-L1259 HydrophobicContact CD2-CG 4.45Å; F1232-L1259 HydrophobicContact CE2-CD1 3.97Å; F1232-L1259 HydrophobicContact CE2-CD2 4.16Å; F1232-L1259 HydrophobicContact CE2-CG 3.86Å; F1232-S1260 CarbonylContact O-C 3.57Å; F1232-S1260 WeakPolarHBondContact O-CA 2.93Å; F1232-G1261 VanDerWaalsContact CD1-O 3.31Å; F1232-G1261 WeakPolarHBondContact CD1-O 3.48Å; F1232-G1261 PolarHBondContact N-O 3.36Å; F1232-G1261 PolarHBondContact O-N 2.73Å; F1232-I1263 HydrophobicContact CD1-CD1 4.02Å; F1232-I1263 HydrophobicContact CD1-CG1 4.04Å; F1232-I1263 HydrophobicContact CE1-CD1 3.8Å; F1232-I1263 HydrophobicContact CE1-CG1 3.76Å; F1232-I1272 HydrophobicContact CE1-CG2 4.49Å
1233	E	79.5	Confident	63.8	Low	100 Å²	100	58.4 Å²	58.4	47%	0.467	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	132	-175.6	-174.6	159.3	-142.7	0	0	110.3	F1061 A1062 L1063 L1259	F1061-E1233 PolarHBondContact O-N 3.47Å; A1062-E1233 CarbonylContact C-O 3.58Å; A1062-E1233 WeakPolarHBondContact CA-O 3.34Å; L1063-E1233 PolarHBondContact N-O 3.29Å; E1233-L1259 CarbonylContact C-O 3.5Å
1234	V	79.8	Confident	64.7	Low	14 Å²	14	50.7 Å²	50.7	9%	0.085	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	100.4	177.7	-171.2	0	0	0	0	107	L1063 I1066 Q1236 I1237 S1258 L1259	L1063-V1234 HydrophobicContact CB-CB 4.43Å; L1063-V1234 HydrophobicContact CB-CG1 4.22Å; L1063-V1234 HydrophobicContact CB-CG2 4.16Å; L1063-V1234 HydrophobicContact CD2-CG1 4.06Å; L1063-V1234 HydrophobicContact CD2-CG2 4.24Å; L1063-V1234 HydrophobicContact CG-CG1 3.96Å; L1063-V1234 CarbonylContact O-C 3.58Å; L1063-V1234 VanDerWaalsContact O-CA 3.25Å; L1063-V1234 WeakPolarHBondContact O-CA 3.07Å; I1066-V1234 HydrophobicContact CD1-CG1 4.3Å; I1066-V1234 HydrophobicContact CG1-CG1 4.36Å; V1234-Q1236 VanDerWaalsContact C-N 3.34Å; V1234-Q1236 PolarHBondContact O-N 2.9Å; V1234-I1237 HydrophobicContact CB-CD1 4.5Å; V1234-I1237 HydrophobicContact CB-CG1 4.48Å; V1234-I1237 HydrophobicContact CG1-CD1 3.92Å; V1234-I1237 HydrophobicContact CG1-CG1 3.5Å; V1234-I1237 VanDerWaalsContact CG1-CG1 3.5Å; V1234-S1258 WeakPolarHBondContact O-CA 3.44Å; V1234-S1258 VanDerWaalsContact O-CB 3.27Å; V1234-S1258 WeakPolarHBondContact O-CB 3.27Å; V1234-L1259 HydrophobicContact CB-CB 4.08Å; V1234-L1259 WeakPolarHBondContact CB-O 3.08Å; V1234-L1259 HydrophobicContact CG2-CB 4.23Å; V1234-L1259 HydrophobicContact CG2-CD2 4.04Å; V1234-L1259 HydrophobicContact CG2-CG 4.3Å; V1234-L1259 PolarHBondContact N-O 3.49Å; V1234-L1259 PolarHBondContact O-N 3.26Å
1235	E	79.7	Confident	65.4	Low	115 Å²	115	49.3 Å²	49.3	54%	0.537	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-34.6	-170.7	-59.2	-174.3	178.1	0	0	112.2	L1063 S1258	L1063-E1235 PolarHBondContact O-N 2.83Å; E1235-S1258 VanDerWaalsContact O-CB 3.25Å; E1235-S1258 WeakPolarHBondContact O-CB 3.24Å
1236	Q	78.7	Confident	66	Low	34 Å²	34	48.6 Å²	48.6	16%	0.159	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	134.3	179.3	-173	175.3	3.3	0	0	112.6	E1064 R1065 I1066 V1234 R1256 S1257	E1064-Q1236 PolarHBondContact O-N 2.93Å; R1065-Q1236 CarbonylContact C-O 3.53Å; R1065-Q1236 WeakPolarHBondContact CA-O 3.38Å; R1065-Q1236 HydrophobicContact CB-CB 4.46Å; R1065-Q1236 HydrophobicContact CG-CB 4.22Å; R1065-Q1236 HydrophobicContact CG-CG 4.22Å; I1066-Q1236 PolarHBondContact N-O 3.43Å; V1234-Q1236 VanDerWaalsContact C-N 3.34Å; V1234-Q1236 PolarHBondContact O-N 2.9Å; Q1236-R1256 HydrophobicContact CG-CG 4.42Å; Q1236-S1257 CarbonylContact C-O 3.48Å; Q1236-S1257 WeakPolarHBondContact CA-O 3.34Å
1237	I	75.6	Confident	66.2	Low	45 Å²	45	56 Å²	56	23%	0.231	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	98.6	168.8	-54.3	177	0	0	0	106.5	I1066 V1234 R1256 S1257 L1259	I1066-I1237 HydrophobicContact CB-CG1 4.44Å; I1066-I1237 HydrophobicContact CB-CG2 4.28Å; I1066-I1237 HydrophobicContact CD1-CG1 4.24Å; I1066-I1237 HydrophobicContact CG2-CG2 4.49Å; I1066-I1237 CarbonylContact O-C 3.28Å; I1066-I1237 WeakPolarHBondContact O-CA 3.33Å; V1234-I1237 HydrophobicContact CB-CD1 4.5Å; V1234-I1237 HydrophobicContact CB-CG1 4.48Å; V1234-I1237 HydrophobicContact CG1-CD1 3.92Å; V1234-I1237 HydrophobicContact CG1-CG1 3.5Å; V1234-I1237 VanDerWaalsContact CG1-CG1 3.5Å; I1237-R1256 CarbonylContact O-C 3.5Å; I1237-R1256 WeakPolarHBondContact O-CA 3.49Å; I1237-S1257 PolarHBondContact N-O 3.45Å; I1237-S1257 PolarHBondContact O-N 3.39Å; I1237-L1259 HydrophobicContact CD1-CB 4.22Å
1238	S	74.3	Confident	65.8	Low	6 Å²	6	61 Å²	61	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.9	176.6	40.6	0	0	0	0	112	I1066 S1067 V1068 M1255	I1066-S1238 PolarHBondContact O-N 3.24Å; I1066-S1238 PolarHBondContact O-OG 3.13Å; S1067-S1238 CarbonylContact C-O 3.56Å; S1067-S1238 VanDerWaalsContact CA-O 3.29Å; S1067-S1238 WeakPolarHBondContact CA-O 3.38Å; S1067-S1238 PolarHBondContact OG-OG 2.89Å; V1068-S1238 PolarHBondContact N-O 2.7Å; S1238-M1255 CarbonylContact C-O 3.56Å; S1238-M1255 WeakPolarHBondContact CA-O 3.21Å
1239	F	71.2	Confident	65.6	Low	73 Å²	73	65 Å²	65	32%	0.32	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.2	169.9	171.6	-86.6	0	0	0	108.6	V1068 L1070 L1241 F1254 M1255	V1068-F1239 HydrophobicContact CB-CD2 4.1Å; V1068-F1239 HydrophobicContact CG1-CD2 4.03Å; V1068-F1239 HydrophobicContact CG1-CE2 4.35Å; V1068-F1239 CarbonylContact O-C 3.6Å; V1068-F1239 WeakPolarHBondContact O-CA 3.49Å; L1070-F1239 HydrophobicContact CD1-CE2 3.77Å; L1070-F1239 HydrophobicContact CD1-CZ 3.7Å; L1070-F1239 HydrophobicContact CG-CE2 4.15Å; L1070-F1239 HydrophobicContact CG-CZ 4.35Å; F1239-L1241 HydrophobicContact CE1-CB 4.42Å; F1239-F1254 WeakPolarHBondContact O-CA 3.38Å; F1239-M1255 HydrophobicContact CB-CB 4.28Å; F1239-M1255 PolarHBondContact N-O 3.18Å; F1239-M1255 PolarHBondContact O-N 3.1Å
1240	C	67.1	Low	65	Low	16 Å²	16	64.8 Å²	64.8	11%	0.108	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.5	-178.8	-167.2	0	0	0	0	110.6	V1068 T1069 L1070 I1253 F1254	V1068-C1240 PolarHBondContact O-N 2.6Å; T1069-C1240 WeakPolarHBondContact CA-O 2.98Å; T1069-C1240 HydrophobicContact CG2-CB 4.28Å; L1070-C1240 PolarHBondContact N-O 3.39Å; C1240-I1253 WeakPolarHBondContact CA-O 3.14Å; C1240-F1254 HydrophobicContact CB-CD2 4.32Å
1241	L	63.7	Low	64.3	Low	47 Å²	47	64.6 Å²	64.6	25%	0.246	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	112	176.7	-179.1	64.8	0	0	0	109	L1070 F1239 P1251 M1252 I1253	L1070-L1241 HydrophobicContact CB-CD1 3.89Å; L1070-L1241 HydrophobicContact CD1-CD1 4.32Å; F1239-L1241 HydrophobicContact CE1-CB 4.42Å; L1241-P1251 CarbonylContact O-C 3.46Å; L1241-M1252 HydrophobicContact CD1-CE 4.29Å; L1241-M1252 HydrophobicContact CD2-CB 4.36Å; L1241-M1252 HydrophobicContact CD2-CE 3.87Å; L1241-M1252 HydrophobicContact CG-CB 4.4Å; L1241-M1252 HydrophobicContact CG-CE 3.67Å; L1241-M1252 PolarHBondContact O-N 3.15Å; L1241-I1253 HydrophobicContact CB-CB 4.24Å; L1241-I1253 HydrophobicContact CD2-CB 4.44Å; L1241-I1253 HydrophobicContact CD2-CD1 4.17Å; L1241-I1253 HydrophobicContact CD2-CG1 4.32Å; L1241-I1253 PolarHBondContact N-O 2.89Å
1242	E	63.9	Low	63.6	Low	39 Å²	39	67.4 Å²	67.4	18%	0.182	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.8	-177.2	-68.5	-178.6	-153.5	0	0	111.6	T1069 L1070 Y1071 K1249 P1251	T1069-E1242 HydrophobicContact CG2-CB 4.49Å; T1069-E1242 HydrophobicContact CG2-CG 4.07Å; L1070-E1242 PolarHBondContact O-N 3.02Å; Y1071-E1242 WeakPolarHBondContact CA-O 3.39Å; Y1071-E1242 HydrophobicContact CD1-CB 4.04Å; Y1071-E1242 HydrophobicContact CE1-CB 4.3Å; Y1071-E1242 VanDerWaalsContact CE1-OE2 3.27Å; Y1071-E1242 WeakPolarHBondContact CE1-OE2 3.46Å; E1242-K1249 WeakPolarHBondContact OE2-CD 3.48Å; E1242-P1251 HydrophobicContact CG-CB 4.45Å
1243	A	54.7	Low	62.9	Low	15 Å²	15	68.8 Å²	68.8	12%	0.124	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130.3	166.9	0	0	0	0	0	109.8	L1250 M1252	A1243-L1250 PolarHBondContact N-O 3.47Å; A1243-L1250 PolarHBondContact O-N 3.26Å; A1243-M1252 HydrophobicContact CB-CE 3.97Å; A1243-M1252 HydrophobicContact CB-CG 4.42Å; A1243-M1252 HydrophobicContact CB-SD 3.92Å
1244	D	50	Low	62.2	Low	48 Å²	48	66.7 Å²	66.7	26%	0.257	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	111.4	172.8	-124.7	-46	0	0	0	109.4	R1072 K1249	R1072-D1244 WeakPolarHBondContact O-CB 3.34Å; D1244-K1249 VanDerWaalsContact OD2-CE 3.27Å; D1244-K1249 WeakPolarHBondContact OD2-CE 3.43Å; D1244-K1249 IonicContact OD2-NZ 2.87Å
1245	C	46.8	Very low	61.5	Low	73 Å²	73	69.3 Å²	69.3	49%	0.493	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	62.6	-179.7	-69.3	0	0	0	0	110.1	R1247 K1248	C1245-R1247 VanDerWaalsContact C-N 3.27Å; C1245-R1247 PolarHBondContact O-N 3.42Å; C1245-K1248 WeakPolarHBondContact CA-O 3.42Å; C1245-K1248 WeakPolarHBondContact CB-O 3.2Å; C1245-K1248 PolarHBondContact N-O 2.87Å; C1245-K1248 PolarHBondContact O-N 2.96Å
1246	G	51.6	Low	61.1	Low	67 Å²	67	69 Å²	69	69%	0.691	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	-60.9	171.9	0	0	0	0	0	115.6
1247	R	46.8	Very low	60.6	Low	251 Å²	251	68 Å²	68	95%	0.947	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.8	-2.8	173.3	-74.2	-169.5	180	-175.8	1	113.8	C1245	C1245-R1247 VanDerWaalsContact C-N 3.27Å; C1245-R1247 PolarHBondContact O-N 3.42Å
1248	K	44.8	Very low	60.5	Low	160 Å²	160	67.3 Å²	67.3	70%	0.696	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.8	175.1	-75.9	-172.2	172.9	-171.1	0	109.4	C1245	C1245-K1248 WeakPolarHBondContact CA-O 3.42Å; C1245-K1248 WeakPolarHBondContact CB-O 3.2Å; C1245-K1248 PolarHBondContact N-O 2.87Å; C1245-K1248 PolarHBondContact O-N 2.96Å
1249	K	53.1	Low	60.4	Low	111 Å²	111	69.2 Å²	69.2	48%	0.483	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.1	160.2	-60.4	-164.3	173.8	-154.1	0	108.3	Y1071 E1242 D1244	Y1071-K1249 HydrophobicContact CD1-CD 4.39Å; Y1071-K1249 HydrophobicContact CE1-CD 4.07Å; E1242-K1249 WeakPolarHBondContact OE2-CD 3.48Å; D1244-K1249 VanDerWaalsContact OD2-CE 3.27Å; D1244-K1249 WeakPolarHBondContact OD2-CE 3.43Å; D1244-K1249 IonicContact OD2-NZ 2.87Å
1250	L	55.8	Low	60.5	Low	48 Å²	48	67.9 Å²	67.9	25%	0.251	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	101.5	-172.7	-146.2	164.5	0	0	0	107.1	A1243 F1283	A1243-L1250 PolarHBondContact N-O 3.47Å; A1243-L1250 PolarHBondContact O-N 3.26Å; L1250-F1283 HydrophobicContact CD2-CD1 3.97Å; L1250-F1283 HydrophobicContact CD2-CE1 4.09Å
1251	P	57.8	Low	60.4	Low	31 Å²	31	67.6 Å²	67.6	20%	0.201	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	149.6	179.3	30.5	-35	0	0	0	109.8	L1241 E1242 F1283 W1290	L1241-P1251 CarbonylContact O-C 3.46Å; E1242-P1251 HydrophobicContact CG-CB 4.45Å; P1251-F1283 HydrophobicContact CG-CB 4.45Å; P1251-F1283 HydrophobicContact CG-CD1 4.34Å; P1251-F1283 HydrophobicContact CG-CD2 4.06Å; P1251-F1283 HydrophobicContact CG-CE2 4.41Å; P1251-F1283 HydrophobicContact CG-CG 4.02Å; P1251-F1283 WeakPolarHBondContact O-CB 3.38Å; P1251-F1283 WeakPolarHBondContact O-CD1 3.33Å; P1251-F1283 WeakPolarHBondContact O-CG 3.43Å; P1251-W1290 HydrophobicContact CB-CH2 3.72Å; P1251-W1290 HydrophobicContact CB-CZ2 3.58Å; P1251-W1290 HydrophobicContact CG-CH2 4.4Å; P1251-W1290 HydrophobicContact CG-CZ2 3.89Å
1252	M	62.1	Low	60.6	Low	81 Å²	81	68.5 Å²	68.5	40%	0.399	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	-46.8	-176.2	-62.3	-168.6	-68.2	0	0	112.2	L1241 A1243 Y1282 F1283	L1241-M1252 HydrophobicContact CD1-CE 4.29Å; L1241-M1252 HydrophobicContact CD2-CB 4.36Å; L1241-M1252 HydrophobicContact CD2-CE 3.87Å; L1241-M1252 HydrophobicContact CG-CB 4.4Å; L1241-M1252 HydrophobicContact CG-CE 3.67Å; L1241-M1252 PolarHBondContact O-N 3.15Å; A1243-M1252 HydrophobicContact CB-CE 3.97Å; A1243-M1252 HydrophobicContact CB-CG 4.42Å; A1243-M1252 HydrophobicContact CB-SD 3.92Å; M1252-Y1282 WeakPolarHBondContact O-CA 3.19Å; M1252-F1283 PolarHBondContact O-N 3.19Å
1253	I	63	Low	60.7	Low	70 Å²	70	67.6 Å²	67.6	36%	0.359	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.2	-179.3	-58.8	178.5	0	0	0	109	C1240 L1241 I1280	C1240-I1253 WeakPolarHBondContact CA-O 3.14Å; L1241-I1253 HydrophobicContact CB-CB 4.24Å; L1241-I1253 HydrophobicContact CD2-CB 4.44Å; L1241-I1253 HydrophobicContact CD2-CD1 4.17Å; L1241-I1253 HydrophobicContact CD2-CG1 4.32Å; L1241-I1253 PolarHBondContact N-O 2.89Å; I1253-I1280 HydrophobicContact CG2-CG2 4.41Å
1254	F	65.5	Low	61.1	Low	57 Å²	57	68.5 Å²	68.5	25%	0.25	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	114	172.8	179.7	-100	0	0	0	109.8	F1239 C1240 R1256 W1281 W1290	F1239-F1254 WeakPolarHBondContact O-CA 3.38Å; C1240-F1254 HydrophobicContact CB-CD2 4.32Å; F1254-R1256 HydrophobicContact CE1-CB 4.06Å; F1254-W1281 PolarHBondContact N-O 2.82Å; F1254-W1281 PolarHBondContact O-N 3.23Å; F1254-W1290 HydrophobicContact CB-CE3 4.07Å; F1254-W1290 HydrophobicContact CB-CH2 3.4Å; F1254-W1290 HydrophobicContact CB-CZ2 4.01Å; F1254-W1290 HydrophobicContact CB-CZ3 3.45Å; F1254-W1290 VanDerWaalsContact CB-CZ3 3.45Å
1255	M	65.7	Low	61.3	Low	69 Å²	69	67.9 Å²	67.9	34%	0.34	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.7	174.7	168.9	-176.1	-179.1	0	0	108.6	S1238 F1239 C1278 I1280	S1238-M1255 CarbonylContact C-O 3.56Å; S1238-M1255 WeakPolarHBondContact CA-O 3.21Å; F1239-M1255 HydrophobicContact CB-CB 4.28Å; F1239-M1255 PolarHBondContact N-O 3.18Å; F1239-M1255 PolarHBondContact O-N 3.1Å; M1255-C1278 VanDerWaalsContact CE-SG 3.56Å; M1255-I1280 HydrophobicContact CB-CG1 4.48Å; M1255-I1280 HydrophobicContact CB-CG2 4.4Å; M1255-I1280 HydrophobicContact CG-CG1 4.2Å
1256	R	70.4	Confident	61.6	Low	108 Å²	108	69.3 Å²	69.3	41%	0.408	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.2	174.1	-174.9	-170.4	-173.7	-176.2	4.1	109	Q1236 I1237 F1254 C1278 E1279	Q1236-R1256 HydrophobicContact CG-CG 4.42Å; I1237-R1256 CarbonylContact O-C 3.5Å; I1237-R1256 WeakPolarHBondContact O-CA 3.49Å; F1254-R1256 HydrophobicContact CE1-CB 4.06Å; R1256-C1278 CarbonylContact O-C 3.36Å; R1256-C1278 WeakPolarHBondContact O-CA 3.38Å; R1256-E1279 HydrophobicContact CB-CB 4.4Å; R1256-E1279 WeakPolarHBondContact CD-OE2 3.49Å; R1256-E1279 PolarHBondContact N-O 3.41Å; R1256-E1279 IonicContact NH1-OE2 3.38Å; R1256-E1279 PolarHBondContact O-N 3.39Å; R1256-E1279 VanDerWaalsContact O-O 3.1Å
1257	S	69.6	Low	61.2	Low	14 Å²	14	70.4 Å²	70.4	10%	0.098	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	164.3	174.9	168.6	0	0	0	0	110.7	Q1236 I1237 R1277	Q1236-S1257 CarbonylContact C-O 3.48Å; Q1236-S1257 WeakPolarHBondContact CA-O 3.34Å; I1237-S1257 PolarHBondContact N-O 3.45Å; I1237-S1257 PolarHBondContact O-N 3.39Å; S1257-R1277 CarbonylContact C-O 3.46Å; S1257-R1277 WeakPolarHBondContact CA-O 3.09Å; S1257-R1277 WeakPolarHBondContact CB-O 3.5Å; S1257-R1277 PolarHBondContact OG-O 3.39Å; S1257-R1277 VanDerWaalsContact OG-O 3.05Å
1258	S	73.2	Confident	61	Low	30 Å²	30	61.7 Å²	61.7	21%	0.21	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.1	165.4	70	0	0	0	0	109.5	V1234 E1235 V1276 R1277	V1234-S1258 WeakPolarHBondContact O-CA 3.44Å; V1234-S1258 VanDerWaalsContact O-CB 3.27Å; V1234-S1258 WeakPolarHBondContact O-CB 3.27Å; E1235-S1258 VanDerWaalsContact O-CB 3.25Å; E1235-S1258 WeakPolarHBondContact O-CB 3.24Å; S1258-V1276 CarbonylContact O-C 3.6Å; S1258-V1276 VanDerWaalsContact O-CA 3.31Å; S1258-V1276 WeakPolarHBondContact O-CA 3.2Å; S1258-R1277 PolarHBondContact N-O 2.95Å; S1258-R1277 PolarHBondContact O-N 3.09Å
1259	L	72.5	Confident	61.1	Low	46 Å²	46	54.5 Å²	54.5	24%	0.241	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	112.2	-167.9	163.2	74.6	0	0	0	109.2	F1232 E1233 V1234 I1237 S1274 T1275 V1276	F1232-L1259 HydrophobicContact CD2-CG 4.45Å; F1232-L1259 HydrophobicContact CE2-CD1 3.97Å; F1232-L1259 HydrophobicContact CE2-CD2 4.16Å; F1232-L1259 HydrophobicContact CE2-CG 3.86Å; E1233-L1259 CarbonylContact C-O 3.5Å; V1234-L1259 HydrophobicContact CB-CB 4.08Å; V1234-L1259 WeakPolarHBondContact CB-O 3.08Å; V1234-L1259 HydrophobicContact CG2-CB 4.23Å; V1234-L1259 HydrophobicContact CG2-CD2 4.04Å; V1234-L1259 HydrophobicContact CG2-CG 4.3Å; V1234-L1259 PolarHBondContact N-O 3.49Å; V1234-L1259 PolarHBondContact O-N 3.26Å; I1237-L1259 HydrophobicContact CD1-CB 4.22Å; L1259-S1274 WeakPolarHBondContact CD1-OG 3.37Å; L1259-T1275 WeakPolarHBondContact CA-O 3.44Å; L1259-V1276 HydrophobicContact CB-CG2 4.49Å; L1259-V1276 HydrophobicContact CD1-CG2 3.48Å; L1259-V1276 VanDerWaalsContact CD1-CG2 3.48Å
1260	S	72	Confident	60.9	Low	45 Å²	45	50.3 Å²	50.3	32%	0.315	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	158.4	171.9	62.4	0	0	0	0	111.2	F1232 S1274 T1275	F1232-S1260 CarbonylContact O-C 3.57Å; F1232-S1260 WeakPolarHBondContact O-CA 2.93Å; S1260-S1274 CarbonylContact O-C 3.44Å; S1260-S1274 WeakPolarHBondContact O-CA 3.42Å; S1260-S1274 WeakPolarHBondContact O-CB 3.45Å; S1260-S1274 PolarHBondContact O-OG 2.97Å; S1260-T1275 PolarHBondContact N-O 3.48Å; S1260-T1275 PolarHBondContact O-N 2.66Å
1261	G	66	Low	60.6	Low	10 Å²	10	50.2 Å²	50.2	10%	0.103	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176	157	174.6	0	0	0	0	0	115.5	S1231 F1232 M1273	S1231-G1261 CarbonylContact C-O 3.59Å; S1231-G1261 VanDerWaalsContact CA-O 3.27Å; S1231-G1261 WeakPolarHBondContact CA-O 3.42Å; F1232-G1261 VanDerWaalsContact CD1-O 3.31Å; F1232-G1261 WeakPolarHBondContact CD1-O 3.48Å; F1232-G1261 PolarHBondContact N-O 3.36Å; F1232-G1261 PolarHBondContact O-N 2.73Å; G1261-M1273 CarbonylContact C-O 3.58Å; G1261-M1273 WeakPolarHBondContact CA-O 3.46Å
1262	D	67.2	Low	60.4	Low	66 Å²	66	50.4 Å²	50.4	35%	0.353	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	140.3	172.9	-84.9	-62.8	0	0	0	109.9	Q1229 M1230 S1231 I1272 M1273	Q1229-D1262 PolarHBondContact NE2-OD1 2.79Å; M1230-D1262 CarbonylContact O-C 3.52Å; S1231-D1262 WeakPolarHBondContact CB-OD1 3.3Å; S1231-D1262 PolarHBondContact OG-OD1 3.37Å; D1262-I1272 CarbonylContact O-C 3.51Å; D1262-I1272 WeakPolarHBondContact O-CA 3.35Å; D1262-M1273 PolarHBondContact N-O 2.83Å; D1262-M1273 PolarHBondContact O-N 3.04Å
1263	I	67	Low	59.9	Low	19 Å²	19	51.1 Å²	51.1	10%	0.097	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	119.2	175.9	-44.3	-176.1	0	0	0	109.5	Q1229 M1230 F1232 W1266 L1270 I1271 I1272	Q1229-I1263 CarbonylContact C-O 3.55Å; Q1229-I1263 WeakPolarHBondContact CA-O 3.39Å; M1230-I1263 HydrophobicContact CB-CB 4.47Å; M1230-I1263 PolarHBondContact N-O 3.5Å; M1230-I1263 PolarHBondContact O-N 3.22Å; M1230-I1263 HydrophobicContact SD-CD1 3.85Å; M1230-I1263 HydrophobicContact SD-CG1 4.3Å; F1232-I1263 HydrophobicContact CD1-CD1 4.02Å; F1232-I1263 HydrophobicContact CD1-CG1 4.04Å; F1232-I1263 HydrophobicContact CE1-CD1 3.8Å; F1232-I1263 HydrophobicContact CE1-CG1 3.76Å; I1263-W1266 HydrophobicContact CB-CZ2 4.02Å; I1263-W1266 HydrophobicContact CD1-CZ2 4.17Å; I1263-W1266 HydrophobicContact CG2-CZ2 4.02Å; I1263-W1266 VanDerWaalsContact CG2-NE1 3.27Å; I1263-W1266 PolarHBondContact O-NE1 3.12Å; I1263-L1270 HydrophobicContact CG2-CD1 3.43Å; I1263-L1270 VanDerWaalsContact CG2-CD1 3.43Å; I1263-L1270 HydrophobicContact CG2-CG 3.92Å; I1263-I1271 CarbonylContact C-O 3.36Å; I1263-I1271 VanDerWaalsContact CA-O 3.25Å; I1263-I1271 WeakPolarHBondContact CA-O 3.34Å; I1263-I1272 HydrophobicContact CB-CG1 4.48Å; I1263-I1272 HydrophobicContact CD1-CD1 4.45Å; I1263-I1272 HydrophobicContact CD1-CG1 4.13Å; I1263-I1272 HydrophobicContact CG1-CB 4.41Å; I1263-I1272 HydrophobicContact CG1-CG1 4.08Å; I1263-I1272 HydrophobicContact CG1-CG2 4.18Å; I1263-I1272 HydrophobicContact CG2-CG1 3.79Å
1264	S	61.4	Low	59.4	Low	34 Å²	34	48.1 Å²	48.1	24%	0.238	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	162.8	-178.4	62.5	0	0	0	0	113.9	V1228 W1266 L1270 I1271	V1228-S1264 CarbonylContact O-C 3.55Å; V1228-S1264 VanDerWaalsContact O-CA 3.25Å; V1228-S1264 WeakPolarHBondContact O-CA 3.26Å; S1264-W1266 VanDerWaalsContact C-N 3.34Å; S1264-W1266 PolarHBondContact O-N 3.19Å; S1264-L1270 WeakPolarHBondContact O-CA 3.42Å; S1264-I1271 PolarHBondContact N-O 3.15Å; S1264-I1271 PolarHBondContact O-N 3.06Å
1265	S	54.9	Low	59	Low	35 Å²	35	47.6 Å²	47.6	25%	0.245	26%	0.261	C	S	.	.			trans	59.4	34.2	168.8	-65.1	0	0	0	0	116.3	V1228 T1267 C1268 G1269 L1270	V1228-S1265 PolarHBondContact O-N 3.35Å; S1265-T1267 PolarHBondContact O-N 3.09Å; S1265-C1268 PolarHBondContact O-N 3.34Å; S1265-G1269 CarbonylContact C-O 3.39Å; S1265-G1269 WeakPolarHBondContact CB-O 3.15Å; S1265-G1269 CarbonylContact O-C 3.56Å; S1265-G1269 PolarHBondContact O-N 3.46Å; S1265-G1269 VanDerWaalsContact O-O 3.11Å; S1265-L1270 PolarHBondContact O-N 2.87Å
1266	W	53.2	Low	58.4	Low	103 Å²	103	45.7 Å²	45.7	39%	0.39	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-24.8	-171.9	-68.4	41.4	0	0	0	116.4	V1228 M1230 I1263 S1264 L1270 F1320	V1228-W1266 HydrophobicContact CG1-CG 4.43Å; M1230-W1266 HydrophobicContact CB-CH2 4.37Å; M1230-W1266 HydrophobicContact CB-CZ2 3.45Å; M1230-W1266 VanDerWaalsContact CB-CZ2 3.45Å; M1230-W1266 HydrophobicContact CE-CH2 4.47Å; M1230-W1266 HydrophobicContact CG-CH2 4.32Å; M1230-W1266 HydrophobicContact CG-CZ2 3.8Å; M1230-W1266 HydrophobicContact SD-CH2 3.98Å; M1230-W1266 HydrophobicContact SD-CZ2 3.58Å; M1230-W1266 VanDerWaalsContact SD-CZ2 3.58Å; I1263-W1266 HydrophobicContact CB-CZ2 4.02Å; I1263-W1266 HydrophobicContact CD1-CZ2 4.17Å; I1263-W1266 HydrophobicContact CG2-CZ2 4.02Å; I1263-W1266 VanDerWaalsContact CG2-NE1 3.27Å; I1263-W1266 PolarHBondContact O-NE1 3.12Å; S1264-W1266 VanDerWaalsContact C-N 3.34Å; S1264-W1266 PolarHBondContact O-N 3.19Å; W1266-L1270 HydrophobicContact CB-CD1 3.96Å; W1266-L1270 HydrophobicContact CD2-CD1 3.92Å; W1266-L1270 HydrophobicContact CG-CD1 3.62Å; W1266-F1320 WeakPolarHBondContact O-CE2 3.46Å
1267	T	43.4	Very low	57.9	Low	91 Å²	91	47 Å²	47	56%	0.558	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-17.7	-172.3	43.6	0	0	0	0	114.9	S1265	S1265-T1267 PolarHBondContact O-N 3.09Å
1268	C	42.3	Very low	57.2	Low	67 Å²	67	46.8 Å²	46.8	45%	0.453	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	-23.9	-175.1	-63.9	0	0	0	0	114	L1225 S1265	L1225-C1268 HydrophobicContact CD2-CB 4.09Å; S1265-C1268 PolarHBondContact O-N 3.34Å
1269	G	46.3	Very low	56.7	Low	9 Å²	9	47.3 Å²	47.3	9%	0.093	26%	0.256	C	S	.	.			trans	-166.2	86.1	177.5	0	0	0	0	0	108.7	S1265 I1271 L1318	S1265-G1269 CarbonylContact C-O 3.39Å; S1265-G1269 WeakPolarHBondContact CB-O 3.15Å; S1265-G1269 CarbonylContact O-C 3.56Å; S1265-G1269 PolarHBondContact O-N 3.46Å; S1265-G1269 VanDerWaalsContact O-O 3.11Å; G1269-I1271 WeakPolarHBondContact O-CG1 2.98Å; G1269-I1271 PolarHBondContact O-N 2.86Å; G1269-I1271 VanDerWaalsContact O-N 3.15Å; G1269-L1318 CarbonylContact C-O 3.6Å; G1269-L1318 WeakPolarHBondContact CA-O 3.29Å
1270	L	49.3	Very low	56.3	Low	23 Å²	23	48.3 Å²	48.3	12%	0.12	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	109.3	-178.4	179.7	89.9	0	0	0	109.3	I1263 S1264 S1265 W1266 I1272 M1317 L1318 F1320	I1263-L1270 HydrophobicContact CG2-CD1 3.43Å; I1263-L1270 VanDerWaalsContact CG2-CD1 3.43Å; I1263-L1270 HydrophobicContact CG2-CG 3.92Å; S1264-L1270 WeakPolarHBondContact O-CA 3.42Å; S1265-L1270 PolarHBondContact O-N 2.87Å; W1266-L1270 HydrophobicContact CB-CD1 3.96Å; W1266-L1270 HydrophobicContact CD2-CD1 3.92Å; W1266-L1270 HydrophobicContact CG-CD1 3.62Å; L1270-I1272 HydrophobicContact CD2-CD1 4.25Å; L1270-I1272 HydrophobicContact CD2-CG1 4.18Å; L1270-I1272 HydrophobicContact CG-CG1 4.37Å; L1270-M1317 CarbonylContact O-C 3.55Å; L1270-M1317 VanDerWaalsContact O-CA 3.28Å; L1270-M1317 WeakPolarHBondContact O-CA 3.49Å; L1270-L1318 HydrophobicContact CB-CB 4.26Å; L1270-L1318 HydrophobicContact CD2-CB 4.41Å; L1270-L1318 HydrophobicContact CD2-CD1 4.04Å; L1270-L1318 HydrophobicContact CD2-CG 4.49Å; L1270-L1318 PolarHBondContact N-O 3Å; L1270-L1318 PolarHBondContact O-N 3.49Å; L1270-F1320 HydrophobicContact CB-CE2 4.08Å
1271	I	50.6	Low	55.9	Low	46 Å²	46	49.3 Å²	49.3	24%	0.236	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	101.2	175.6	-47.9	179.6	0	0	0	108.4	I1263 S1264 G1269 M1273 L1316 M1317	I1263-I1271 CarbonylContact C-O 3.36Å; I1263-I1271 VanDerWaalsContact CA-O 3.25Å; I1263-I1271 WeakPolarHBondContact CA-O 3.34Å; S1264-I1271 PolarHBondContact N-O 3.15Å; S1264-I1271 PolarHBondContact O-N 3.06Å; G1269-I1271 WeakPolarHBondContact O-CG1 2.98Å; G1269-I1271 PolarHBondContact O-N 2.86Å; G1269-I1271 VanDerWaalsContact O-N 3.15Å; I1271-M1273 HydrophobicContact CG2-CG 4.4Å; I1271-L1316 CarbonylContact C-O 3.41Å; I1271-L1316 VanDerWaalsContact CA-O 3.31Å; I1271-L1316 WeakPolarHBondContact CA-O 3.18Å; I1271-M1317 HydrophobicContact CD1-SD 4.45Å; I1271-M1317 HydrophobicContact CG1-CG 4.16Å; I1271-M1317 HydrophobicContact CG1-SD 4.31Å; I1271-M1317 HydrophobicContact CG2-CG 4.3Å
1272	I	52.6	Low	55.8	Low	36 Å²	36	53.4 Å²	53.4	19%	0.185	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.7	164.2	-51.9	177.2	0	0	0	108.1	F1232 D1262 I1263 L1270 V1315 L1316	F1232-I1272 HydrophobicContact CE1-CG2 4.49Å; D1262-I1272 CarbonylContact O-C 3.51Å; D1262-I1272 WeakPolarHBondContact O-CA 3.35Å; I1263-I1272 HydrophobicContact CB-CG1 4.48Å; I1263-I1272 HydrophobicContact CD1-CD1 4.45Å; I1263-I1272 HydrophobicContact CD1-CG1 4.13Å; I1263-I1272 HydrophobicContact CG1-CB 4.41Å; I1263-I1272 HydrophobicContact CG1-CG1 4.08Å; I1263-I1272 HydrophobicContact CG1-CG2 4.18Å; I1263-I1272 HydrophobicContact CG2-CG1 3.79Å; L1270-I1272 HydrophobicContact CD2-CD1 4.25Å; L1270-I1272 HydrophobicContact CD2-CG1 4.18Å; L1270-I1272 HydrophobicContact CG-CG1 4.37Å; I1272-V1315 CarbonylContact O-C 3.44Å; I1272-V1315 VanDerWaalsContact O-CA 3.32Å; I1272-V1315 WeakPolarHBondContact O-CA 3.2Å; I1272-L1316 HydrophobicContact CB-CB 3.85Å; I1272-L1316 HydrophobicContact CD1-CB 4.16Å; I1272-L1316 HydrophobicContact CD1-CD2 3.72Å; I1272-L1316 HydrophobicContact CG1-CB 4.18Å; I1272-L1316 HydrophobicContact CG1-CD2 4.45Å; I1272-L1316 PolarHBondContact N-O 3.16Å; I1272-L1316 PolarHBondContact O-N 3.42Å
1273	M	51.6	Low	55.5	Low	96 Å²	96	52.1 Å²	52.1	47%	0.473	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.4	164.4	-72.5	171.1	50	0	0	107.5	G1261 D1262 I1271 I1314 V1315	G1261-M1273 CarbonylContact C-O 3.58Å; G1261-M1273 WeakPolarHBondContact CA-O 3.46Å; D1262-M1273 PolarHBondContact N-O 2.83Å; D1262-M1273 PolarHBondContact O-N 3.04Å; I1271-M1273 HydrophobicContact CG2-CG 4.4Å; M1273-I1314 CarbonylContact C-O 3.57Å; M1273-I1314 WeakPolarHBondContact CA-O 3.47Å; M1273-V1315 HydrophobicContact CG-CG1 4.31Å; M1273-V1315 HydrophobicContact CG-CG2 4.33Å
1274	S	52.7	Low	55.3	Low	6 Å²	6	52.5 Å²	52.5	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.1	-177.6	-174.8	0	0	0	0	112.9	L1259 S1260 L1313 I1314	L1259-S1274 WeakPolarHBondContact CD1-OG 3.37Å; S1260-S1274 CarbonylContact O-C 3.44Å; S1260-S1274 WeakPolarHBondContact O-CA 3.42Å; S1260-S1274 WeakPolarHBondContact O-CB 3.45Å; S1260-S1274 PolarHBondContact O-OG 2.97Å; S1274-L1313 CarbonylContact O-C 3.55Å; S1274-L1313 WeakPolarHBondContact O-CA 3.3Å; S1274-I1314 PolarHBondContact N-O 3.01Å; S1274-I1314 PolarHBondContact O-N 3.29Å
1275	T	56.6	Low	54.7	Low	47 Å²	47	56 Å²	56	29%	0.288	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.5	175.2	-55.9	0	0	0	0	109.6	L1259 S1260 F1312	L1259-T1275 WeakPolarHBondContact CA-O 3.44Å; S1260-T1275 PolarHBondContact N-O 3.48Å; S1260-T1275 PolarHBondContact O-N 2.66Å; T1275-F1312 CarbonylContact C-O 3.55Å; T1275-F1312 VanDerWaalsContact CA-O 3.28Å; T1275-F1312 WeakPolarHBondContact CA-O 3.44Å
1276	V	52.9	Low	54.6	Low	28 Å²	28	61.5 Å²	61.5	17%	0.17	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.1	167.6	176.1	0	0	0	0	109.2	S1258 L1259 S1311 F1312 I1314	S1258-V1276 CarbonylContact O-C 3.6Å; S1258-V1276 VanDerWaalsContact O-CA 3.31Å; S1258-V1276 WeakPolarHBondContact O-CA 3.2Å; L1259-V1276 HydrophobicContact CB-CG2 4.49Å; L1259-V1276 HydrophobicContact CD1-CG2 3.48Å; L1259-V1276 VanDerWaalsContact CD1-CG2 3.48Å; V1276-S1311 CarbonylContact O-C 3.57Å; V1276-S1311 VanDerWaalsContact O-CA 3.23Å; V1276-S1311 WeakPolarHBondContact O-CA 3.49Å; V1276-F1312 HydrophobicContact CB-CB 4.29Å; V1276-F1312 HydrophobicContact CB-CD2 4.01Å; V1276-F1312 HydrophobicContact CG1-CD2 4.04Å; V1276-F1312 PolarHBondContact N-O 3.15Å; V1276-F1312 PolarHBondContact O-N 3.18Å; V1276-I1314 HydrophobicContact CG2-CD1 4.13Å
1277	R	60.4	Low	54.7	Low	135 Å²	135	61.4 Å²	61.4	51%	0.509	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.2	167.3	-65.7	-175.1	-176.8	159.5	5.2	109.7	S1257 S1258 L1310	S1257-R1277 CarbonylContact C-O 3.46Å; S1257-R1277 WeakPolarHBondContact CA-O 3.09Å; S1257-R1277 WeakPolarHBondContact CB-O 3.5Å; S1257-R1277 PolarHBondContact OG-O 3.39Å; S1257-R1277 VanDerWaalsContact OG-O 3.05Å; S1258-R1277 PolarHBondContact N-O 2.95Å; S1258-R1277 PolarHBondContact O-N 3.09Å; R1277-L1310 CarbonylContact C-O 3.46Å; R1277-L1310 VanDerWaalsContact CA-O 3.25Å; R1277-L1310 WeakPolarHBondContact CA-O 3.31Å
1278	C	55.6	Low	55.4	Low	10 Å²	10	63.1 Å²	63.1	7%	0.068	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	138.6	-179.9	-172	0	0	0	0	114	M1255 R1256 C1309 L1310	M1255-C1278 VanDerWaalsContact CE-SG 3.56Å; R1256-C1278 CarbonylContact O-C 3.36Å; R1256-C1278 WeakPolarHBondContact O-CA 3.38Å; C1278-C1309 CarbonylContact O-C 3.52Å; C1278-C1309 WeakPolarHBondContact O-CA 3.31Å; C1278-L1310 HydrophobicContact CB-CB 4.26Å; C1278-L1310 PolarHBondContact N-O 2.9Å; C1278-L1310 PolarHBondContact O-N 3.48Å
1279	E	62.9	Low	56	Low	42 Å²	42	61.7 Å²	61.7	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.1	175.6	-60.9	169.2	177.4	0	0	108.6	R1256	R1256-E1279 HydrophobicContact CB-CB 4.4Å; R1256-E1279 WeakPolarHBondContact CD-OE2 3.49Å; R1256-E1279 PolarHBondContact N-O 3.41Å; R1256-E1279 IonicContact NH1-OE2 3.38Å; R1256-E1279 PolarHBondContact O-N 3.39Å; R1256-E1279 VanDerWaalsContact O-O 3.1Å
1280	I	63.1	Low	56.6	Low	66 Å²	66	65.7 Å²	65.7	34%	0.338	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131.1	178.7	-45.9	-179.7	0	0	0	110.5	I1253 M1255 P1292 V1293	I1253-I1280 HydrophobicContact CG2-CG2 4.41Å; M1255-I1280 HydrophobicContact CB-CG1 4.48Å; M1255-I1280 HydrophobicContact CB-CG2 4.4Å; M1255-I1280 HydrophobicContact CG-CG1 4.2Å; I1280-P1292 WeakPolarHBondContact O-CA 3.35Å; I1280-V1293 HydrophobicContact CB-CB 4.22Å; I1280-V1293 HydrophobicContact CB-CG2 4.07Å; I1280-V1293 HydrophobicContact CG2-CB 4.34Å; I1280-V1293 HydrophobicContact CG2-CG2 3.69Å; I1280-V1293 PolarHBondContact O-N 3.25Å
1281	W	64.4	Low	56.9	Low	67 Å²	67	66.6 Å²	66.6	25%	0.254	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.3	-179.1	-55.8	77.6	0	0	0	110.6	F1254 W1290 E1291 P1292	F1254-W1281 PolarHBondContact N-O 2.82Å; F1254-W1281 PolarHBondContact O-N 3.23Å; W1281-W1290 HydrophobicContact CB-CE3 3.77Å; W1281-W1290 HydrophobicContact CB-CZ3 4.43Å; W1281-W1290 HydrophobicContact CE3-CB 3.94Å; W1281-E1291 CarbonylContact C-O 3.56Å; W1281-E1291 VanDerWaalsContact CA-O 3.3Å; W1281-E1291 WeakPolarHBondContact CA-O 3.5Å; W1281-P1292 HydrophobicContact CD2-CB 4.42Å; W1281-P1292 HydrophobicContact CE3-CB 4.17Å; W1281-P1292 HydrophobicContact CZ3-CB 4.31Å; W1281-P1292 HydrophobicContact CZ3-CG 4.39Å
1282	Y	63.5	Low	57.2	Low	95 Å²	95	66 Å²	66	37%	0.373	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	153.9	166.6	68.2	-89.3	0	0	0	110.1	M1252 N1284 W1290 E1291 V1293	M1252-Y1282 WeakPolarHBondContact O-CA 3.19Å; Y1282-N1284 HydrophobicContact CD2-CB 4.49Å; Y1282-N1284 HydrophobicContact CE2-CB 4.01Å; Y1282-W1290 WeakPolarHBondContact O-CA 3.27Å; Y1282-E1291 HydrophobicContact CD1-CB 4.37Å; Y1282-E1291 VanDerWaalsContact CD1-O 3.28Å; Y1282-E1291 WeakPolarHBondContact CD1-O 3.45Å; Y1282-E1291 HydrophobicContact CD2-CB 4.44Å; Y1282-E1291 HydrophobicContact CE1-CB 3.77Å; Y1282-E1291 HydrophobicContact CE2-CB 3.82Å; Y1282-E1291 WeakPolarHBondContact CE2-OE2 3.3Å; Y1282-E1291 VanDerWaalsContact CZ-CB 3.44Å; Y1282-E1291 VanDerWaalsContact CZ-OE2 3.26Å; Y1282-E1291 PolarHBondContact N-O 3.1Å; Y1282-E1291 PolarHBondContact O-N 3.14Å; Y1282-E1291 WeakPolarHBondContact OH-CB 3.14Å; Y1282-E1291 PolarHBondContact OH-OE2 3.12Å; Y1282-V1293 HydrophobicContact CD1-CG2 3.98Å
1283	F	61	Low	57.3	Low	39 Å²	39	68.2 Å²	68.2	17%	0.171	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	114.8	177.9	-172.3	-103.9	0	0	0	109.8	L1250 P1251 M1252 D1285 W1290	L1250-F1283 HydrophobicContact CD2-CD1 3.97Å; L1250-F1283 HydrophobicContact CD2-CE1 4.09Å; P1251-F1283 HydrophobicContact CG-CB 4.45Å; P1251-F1283 HydrophobicContact CG-CD1 4.34Å; P1251-F1283 HydrophobicContact CG-CD2 4.06Å; P1251-F1283 HydrophobicContact CG-CE2 4.41Å; P1251-F1283 HydrophobicContact CG-CG 4.02Å; P1251-F1283 WeakPolarHBondContact O-CB 3.38Å; P1251-F1283 WeakPolarHBondContact O-CD1 3.33Å; P1251-F1283 WeakPolarHBondContact O-CG 3.43Å; M1252-F1283 PolarHBondContact O-N 3.19Å; F1283-D1285 PolarHBondContact O-N 3.29Å; F1283-W1290 HydrophobicContact CB-CD2 4.38Å; F1283-W1290 HydrophobicContact CB-CE3 4.05Å; F1283-W1290 HydrophobicContact CB-CH2 4.12Å; F1283-W1290 HydrophobicContact CB-CZ2 4.45Å; F1283-W1290 HydrophobicContact CB-CZ3 3.89Å; F1283-W1290 HydrophobicContact CD2-CD2 4.13Å; F1283-W1290 AromaticContact CD2-CE2 3.99Å; F1283-W1290 HydrophobicContact CD2-CG 4.4Å; F1283-W1290 HydrophobicContact CD2-CZ2 4.41Å
1284	N	61.9	Low	57.2	Low	28 Å²	28	67.4 Å²	67.4	15%	0.15	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	100.7	174.7	-174.7	-11.4	0	0	0	109.7	Y1282 N1286 N1287 N1288 A1289 E1291	Y1282-N1284 HydrophobicContact CD2-CB 4.49Å; Y1282-N1284 HydrophobicContact CE2-CB 4.01Å; N1284-N1286 PolarHBondContact O-N 3.07Å; N1284-N1286 WeakPolarHBondContact OD1-CB 3.14Å; N1284-N1286 PolarHBondContact OD1-N 3.25Å; N1284-N1286 VanDerWaalsContact OD1-N 3.08Å; N1284-N1287 HydrophobicContact CB-CB 4.28Å; N1284-N1287 PolarHBondContact ND2-ND2 3.13Å; N1284-N1287 CarbonylContact O-C 3.58Å; N1284-N1287 PolarHBondContact O-N 3.38Å; N1284-N1287 VanDerWaalsContact O-N 3.12Å; N1284-N1287 PolarHBondContact OD1-N 3.27Å; N1284-N1288 WeakPolarHBondContact O-CA 3.39Å; N1284-N1288 PolarHBondContact O-N 3.47Å; N1284-A1289 PolarHBondContact N-O 2.99Å; N1284-A1289 PolarHBondContact O-N 2.97Å; N1284-E1291 HydrophobicContact CB-CG 4.25Å; N1284-E1291 WeakPolarHBondContact CB-OE2 3.45Å; N1284-E1291 PolarHBondContact ND2-OE1 3.48Å; N1284-E1291 PolarHBondContact ND2-OE2 3.44Å
1285	D	49.5	Very low	56.7	Low	106 Å²	106	75.5 Å²	75.5	57%	0.567	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.6	-179.7	-163.2	51.2	0	0	0	113	F1283	F1283-D1285 PolarHBondContact O-N 3.29Å
1286	N	52.1	Low	56.2	Low	151 Å²	151	75.3 Å²	75.3	81%	0.807	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-36.1	176.1	-62	-59.8	0	0	0	112.5	N1284	N1284-N1286 PolarHBondContact O-N 3.07Å; N1284-N1286 WeakPolarHBondContact OD1-CB 3.14Å; N1284-N1286 PolarHBondContact OD1-N 3.25Å; N1284-N1286 VanDerWaalsContact OD1-N 3.08Å
1287	N	56	Low	55.4	Low	102 Å²	102	78.3 Å²	78.3	55%	0.545	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-6.3	179.8	-71.8	-12.8	0	0	0	112.5	N1284 A1289 E1291	N1284-N1287 HydrophobicContact CB-CB 4.28Å; N1284-N1287 PolarHBondContact ND2-ND2 3.13Å; N1284-N1287 CarbonylContact O-C 3.58Å; N1284-N1287 PolarHBondContact O-N 3.38Å; N1284-N1287 VanDerWaalsContact O-N 3.12Å; N1284-N1287 PolarHBondContact OD1-N 3.27Å; N1287-A1289 HydrophobicContact CB-CB 4.12Å; N1287-A1289 PolarHBondContact O-N 3.29Å; N1287-E1291 PolarHBondContact ND2-OE1 3.37Å
1288	N	59.1	Low	54.3	Low	127 Å²	127	79 Å²	79	68%	0.679	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	38.4	-172.4	-170.4	54.5	0	0	0	112.5	N1284	N1284-N1288 WeakPolarHBondContact O-CA 3.39Å; N1284-N1288 PolarHBondContact O-N 3.47Å
1289	A	54.7	Low	53.3	Low	37 Å²	37	83.9 Å²	83.9	31%	0.306	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153.3	-167.2	0	0	0	0	0	112.1	N1284 N1287	N1284-A1289 PolarHBondContact N-O 2.99Å; N1284-A1289 PolarHBondContact O-N 2.97Å; N1287-A1289 HydrophobicContact CB-CB 4.12Å; N1287-A1289 PolarHBondContact O-N 3.29Å
1290	W	59	Low	51.8	Low	93 Å²	93	87.8 Å²	87.8	35%	0.352	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	123.9	168.1	-73.6	103.2	0	0	0	109.9	P1251 F1254 W1281 Y1282 F1283	P1251-W1290 HydrophobicContact CB-CH2 3.72Å; P1251-W1290 HydrophobicContact CB-CZ2 3.58Å; P1251-W1290 HydrophobicContact CG-CH2 4.4Å; P1251-W1290 HydrophobicContact CG-CZ2 3.89Å; F1254-W1290 HydrophobicContact CB-CE3 4.07Å; F1254-W1290 HydrophobicContact CB-CH2 3.4Å; F1254-W1290 HydrophobicContact CB-CZ2 4.01Å; F1254-W1290 HydrophobicContact CB-CZ3 3.45Å; F1254-W1290 VanDerWaalsContact CB-CZ3 3.45Å; W1281-W1290 HydrophobicContact CB-CE3 3.77Å; W1281-W1290 HydrophobicContact CB-CZ3 4.43Å; W1281-W1290 HydrophobicContact CE3-CB 3.94Å; Y1282-W1290 WeakPolarHBondContact O-CA 3.27Å; F1283-W1290 HydrophobicContact CB-CD2 4.38Å; F1283-W1290 HydrophobicContact CB-CE3 4.05Å; F1283-W1290 HydrophobicContact CB-CH2 4.12Å; F1283-W1290 HydrophobicContact CB-CZ2 4.45Å; F1283-W1290 HydrophobicContact CB-CZ3 3.89Å; F1283-W1290 HydrophobicContact CD2-CD2 4.13Å; F1283-W1290 AromaticContact CD2-CE2 3.99Å; F1283-W1290 HydrophobicContact CD2-CG 4.4Å; F1283-W1290 HydrophobicContact CD2-CZ2 4.41Å
1291	E	55.4	Low	50.2	Low	41 Å²	41	94.3 Å²	94.3	19%	0.192	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.1	178.3	-74.6	171.5	-175.3	0	0	109.8	W1281 Y1282 N1284 N1287	W1281-E1291 CarbonylContact C-O 3.56Å; W1281-E1291 VanDerWaalsContact CA-O 3.3Å; W1281-E1291 WeakPolarHBondContact CA-O 3.5Å; Y1282-E1291 HydrophobicContact CD1-CB 4.37Å; Y1282-E1291 VanDerWaalsContact CD1-O 3.28Å; Y1282-E1291 WeakPolarHBondContact CD1-O 3.45Å; Y1282-E1291 HydrophobicContact CD2-CB 4.44Å; Y1282-E1291 HydrophobicContact CE1-CB 3.77Å; Y1282-E1291 HydrophobicContact CE2-CB 3.82Å; Y1282-E1291 WeakPolarHBondContact CE2-OE2 3.3Å; Y1282-E1291 VanDerWaalsContact CZ-CB 3.44Å; Y1282-E1291 VanDerWaalsContact CZ-OE2 3.26Å; Y1282-E1291 PolarHBondContact N-O 3.1Å; Y1282-E1291 PolarHBondContact O-N 3.14Å; Y1282-E1291 WeakPolarHBondContact OH-CB 3.14Å; Y1282-E1291 PolarHBondContact OH-OE2 3.12Å; N1284-E1291 HydrophobicContact CB-CG 4.25Å; N1284-E1291 WeakPolarHBondContact CB-OE2 3.45Å; N1284-E1291 PolarHBondContact ND2-OE1 3.48Å; N1284-E1291 PolarHBondContact ND2-OE2 3.44Å; N1287-E1291 PolarHBondContact ND2-OE1 3.37Å
1292	P	56.4	Low	48.5	Very low	33 Å²	33	95.5 Å²	95.5	21%	0.214	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	144.3	-178.8	31.2	-35.1	0	0	0	111.2	I1280 W1281 L1294 P1296	I1280-P1292 WeakPolarHBondContact O-CA 3.35Å; W1281-P1292 HydrophobicContact CD2-CB 4.42Å; W1281-P1292 HydrophobicContact CE3-CB 4.17Å; W1281-P1292 HydrophobicContact CZ3-CB 4.31Å; W1281-P1292 HydrophobicContact CZ3-CG 4.39Å; P1292-L1294 PolarHBondContact O-N 3.14Å; P1292-P1296 HydrophobicContact CG-CG 4.29Å
1293	V	54.6	Low	47.2	Very low	83 Å²	83	102 Å²	102	50%	0.503	52%	0.516	S	S	.	.	S	Bend	trans	-70.1	-13.7	179.8	175	0	0	0	0	112.8	I1280 Y1282	I1280-V1293 HydrophobicContact CB-CB 4.22Å; I1280-V1293 HydrophobicContact CB-CG2 4.07Å; I1280-V1293 HydrophobicContact CG2-CB 4.34Å; I1280-V1293 HydrophobicContact CG2-CG2 3.69Å; I1280-V1293 PolarHBondContact O-N 3.25Å; Y1282-V1293 HydrophobicContact CD1-CG2 3.98Å
1294	L	49.4	Very low	45.7	Very low	79 Å²	79	106.7 Å²	106.7	41%	0.414	54%	0.538	S	S	.	.	S	Bend	trans	-126.5	126.5	174.1	-63.9	171.6	0	0	0	108.8	P1292 W1308	P1292-L1294 PolarHBondContact O-N 3.14Å; L1294-W1308 HydrophobicContact CB-CB 3.93Å; L1294-W1308 VanDerWaalsContact CB-CD1 3.49Å; L1294-W1308 HydrophobicContact CB-CD2 4.46Å; L1294-W1308 HydrophobicContact CB-CG 3.71Å; L1294-W1308 HydrophobicContact CD1-CB 3.79Å; L1294-W1308 HydrophobicContact CD1-CD2 4.44Å; L1294-W1308 HydrophobicContact CD1-CG 4.04Å
1295	E	43.3	Very low	44.5	Very low	176 Å²	176	111.6 Å²	111.6	82%	0.822	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-59.5	117.5	-176.1	-67.8	-178.8	130.2	0	0	111.3	M1297 W1308	E1295-M1297 PolarHBondContact O-N 3.4Å; E1295-W1308 VanDerWaalsContact O-CD1 3.29Å; E1295-W1308 PolarHBondContact O-NE1 3.04Å
1296	P	44.2	Very low	43.9	Very low	43 Å²	43	111.2 Å²	111.2	28%	0.279	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-65.8	135.1	-174.7	27.3	-35	0	0	0	110.9	P1292 L1305 L1306	P1292-P1296 HydrophobicContact CG-CG 4.29Å; P1296-L1305 HydrophobicContact CB-CD2 4.47Å; P1296-L1305 HydrophobicContact CG-CD2 4.02Å; P1296-L1306 VanDerWaalsContact CB-O 3.25Å; P1296-L1306 WeakPolarHBondContact CB-O 3.29Å
1297	M	37.9	Very low	43.2	Very low	92 Å²	92	105.5 Å²	105.5	45%	0.453	53%	0.533	S	S	.	.	B	Isolated β-bridge	trans	-81.1	138.9	177.3	-62.1	-146.3	-60.3	0	0	111	E1295 W1308	E1295-M1297 PolarHBondContact O-N 3.4Å; M1297-W1308 HydrophobicContact CE-CZ2 4.44Å; M1297-W1308 HydrophobicContact CG-CZ2 3.94Å; M1297-W1308 HydrophobicContact SD-CZ2 4.12Å
1298	L	37	Very low	42.6	Very low	148 Å²	148	106.5 Å²	106.5	78%	0.775	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-67.8	135.9	170.1	-81.2	149.2	0	0	0	110
1299	Q	33.1	Very low	41.6	Very low	113 Å²	113	103 Å²	103	53%	0.528	52%	0.515	S	S	.	.			trans	-118.8	158.2	166.2	-166.9	169.3	1.1	0	0	108.9
1300	D	31.8	Very low	41.2	Very low	125 Å²	125	104.3 Å²	104.3	67%	0.668	52%	0.516	S	S	*	.	S	Bend	trans	-63.6	141.7	-156.2	-49.5	-88.9	0	0	0	116.2	V1302	D1300-V1302 PolarHBondContact O-N 2.81Å
1301	E	30.7	Very low	40.2	Very low	203 Å²	203	103.4 Å²	103.4	95%	0.949	52%	0.524	S	S	*	.	S	Bend	trans	51.4	-6.7	167.5	-60.7	-157.3	143.8	0	0	121
1302	V	28.1	Very low	39.7	Very low	92 Å²	92	105 Å²	105	56%	0.558	53%	0.53	S	S	*	.	S	Bend	trans	-127.6	135.5	175	-172.4	0	0	0	0	111.8	D1300 H1304	D1300-V1302 PolarHBondContact O-N 2.81Å; V1302-H1304 PolarHBondContact O-N 2.82Å
1303	Y	35.8	Very low	38.9	Very low	230 Å²	230	105.7 Å²	105.7	90%	0.902	53%	0.532	S	S	*	.			trans	-69	66.1	-176.6	-75.5	-86.6	0	0	0	114
1304	H	30.6	Very low	38.5	Very low	139 Å²	139	104.4 Å²	104.4	64%	0.644	52%	0.522	S	S	*	.			trans	-122.8	97.8	173.9	-67.1	-33.2	0	0	0	110.3	V1302 L1306	V1302-H1304 PolarHBondContact O-N 2.82Å; H1304-L1306 PolarHBondContact O-N 3.46Å; H1304-L1306 VanDerWaalsContact O-N 3.14Å
1305	L	35.7	Very low	38.1	Very low	130 Å²	130	102.2 Å²	102.2	68%	0.681	51%	0.512	S	S	*	.			trans	-67.3	106.6	174.3	-72	162.1	0	0	0	109.6	P1296 S1307	P1296-L1305 HydrophobicContact CB-CD2 4.47Å; P1296-L1305 HydrophobicContact CG-CD2 4.02Å; L1305-S1307 PolarHBondContact O-N 2.95Å
1306	L	36.9	Very low	38.1	Very low	98 Å²	98	95.6 Å²	95.6	51%	0.513	48%	0.482	S	S	.	.	B	Isolated β-bridge	trans	-85.6	107.1	175.7	-86.8	158.9	0	0	0	110.2	P1296 H1304	P1296-L1306 VanDerWaalsContact CB-O 3.25Å; P1296-L1306 WeakPolarHBondContact CB-O 3.29Å; H1304-L1306 PolarHBondContact O-N 3.46Å; H1304-L1306 VanDerWaalsContact O-N 3.14Å
1307	S	38.4	Very low	37.8	Very low	32 Å²	32	96.7 Å²	96.7	22%	0.224	48%	0.484	C	S	.	.			trans	-62.3	141.9	171.1	44.6	0	0	0	0	111.5	L1305 C1309	L1305-S1307 PolarHBondContact O-N 2.95Å; S1307-C1309 PolarHBondContact O-N 2.9Å; S1307-C1309 VanDerWaalsContact O-N 3.17Å
1308	W	42.8	Very low	37.9	Very low	122 Å²	122	93.2 Å²	93.2	46%	0.462	47%	0.467	S	S	.	.			trans	-59.3	119.3	177.8	-76.4	80.2	0	0	0	111.3	L1294 E1295 M1297	L1294-W1308 HydrophobicContact CB-CB 3.93Å; L1294-W1308 VanDerWaalsContact CB-CD1 3.49Å; L1294-W1308 HydrophobicContact CB-CD2 4.46Å; L1294-W1308 HydrophobicContact CB-CG 3.71Å; L1294-W1308 HydrophobicContact CD1-CB 3.79Å; L1294-W1308 HydrophobicContact CD1-CD2 4.44Å; L1294-W1308 HydrophobicContact CD1-CG 4.04Å; E1295-W1308 VanDerWaalsContact O-CD1 3.29Å; E1295-W1308 PolarHBondContact O-NE1 3.04Å; M1297-W1308 HydrophobicContact CE-CZ2 4.44Å; M1297-W1308 HydrophobicContact CG-CZ2 3.94Å; M1297-W1308 HydrophobicContact SD-CZ2 4.12Å
1309	C	37.8	Very low	38	Very low	55 Å²	55	91.1 Å²	91.1	37%	0.372	45%	0.449	S	S	.	.			trans	-109.7	93	178.4	-165.9	0	0	0	0	109.5	C1278 S1307 S1311	C1278-C1309 CarbonylContact O-C 3.52Å; C1278-C1309 WeakPolarHBondContact O-CA 3.31Å; S1307-C1309 PolarHBondContact O-N 2.9Å; S1307-C1309 VanDerWaalsContact O-N 3.17Å; C1309-S1311 PolarHBondContact O-N 2.97Å; C1309-S1311 PolarHBondContact O-OG 3.16Å
1310	L	47.4	Very low	38.1	Very low	63 Å²	63	90.3 Å²	90.3	33%	0.33	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	103.3	-178.1	-72	168.7	0	0	0	110	R1277 C1278 F1312	R1277-L1310 CarbonylContact C-O 3.46Å; R1277-L1310 VanDerWaalsContact CA-O 3.25Å; R1277-L1310 WeakPolarHBondContact CA-O 3.31Å; C1278-L1310 HydrophobicContact CB-CB 4.26Å; C1278-L1310 PolarHBondContact N-O 2.9Å; C1278-L1310 PolarHBondContact O-N 3.48Å; L1310-F1312 HydrophobicContact CB-CE2 3.67Å; L1310-F1312 HydrophobicContact CB-CZ 3.93Å; L1310-F1312 HydrophobicContact CD1-CZ 4.42Å; L1310-F1312 WeakPolarHBondContact O-CD2 3.37Å; L1310-F1312 WeakPolarHBondContact O-CE2 3.47Å
1311	S	37.4	Very low	38	Very low	74 Å²	74	87.7 Å²	87.7	52%	0.517	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.9	-179.3	-62.2	0	0	0	0	111	V1276 C1309	V1276-S1311 CarbonylContact O-C 3.57Å; V1276-S1311 VanDerWaalsContact O-CA 3.23Å; V1276-S1311 WeakPolarHBondContact O-CA 3.49Å; C1309-S1311 PolarHBondContact O-N 2.97Å; C1309-S1311 PolarHBondContact O-OG 3.16Å
1312	F	44.4	Very low	38	Very low	74 Å²	74	82.9 Å²	82.9	33%	0.325	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.7	-179.6	-51.6	-95.8	0	0	0	110.1	T1275 V1276 L1310	T1275-F1312 CarbonylContact C-O 3.55Å; T1275-F1312 VanDerWaalsContact CA-O 3.28Å; T1275-F1312 WeakPolarHBondContact CA-O 3.44Å; V1276-F1312 HydrophobicContact CB-CB 4.29Å; V1276-F1312 HydrophobicContact CB-CD2 4.01Å; V1276-F1312 HydrophobicContact CG1-CD2 4.04Å; V1276-F1312 PolarHBondContact N-O 3.15Å; V1276-F1312 PolarHBondContact O-N 3.18Å; L1310-F1312 HydrophobicContact CB-CE2 3.67Å; L1310-F1312 HydrophobicContact CB-CZ 3.93Å; L1310-F1312 HydrophobicContact CD1-CZ 4.42Å; L1310-F1312 WeakPolarHBondContact O-CD2 3.37Å; L1310-F1312 WeakPolarHBondContact O-CE2 3.47Å
1313	L	40.1	Very low	38.3	Very low	49 Å²	49	82.7 Å²	82.7	26%	0.257	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.7	164.8	-170.8	70.5	0	0	0	109.3	S1274 V1315 E1336	S1274-L1313 CarbonylContact O-C 3.55Å; S1274-L1313 WeakPolarHBondContact O-CA 3.3Å; L1313-V1315 HydrophobicContact CD2-CG2 4.23Å; L1313-V1315 HydrophobicContact CG-CG2 4.22Å; L1313-E1336 HydrophobicContact CB-CB 4.45Å; L1313-E1336 HydrophobicContact CD2-CB 4.48Å; L1313-E1336 HydrophobicContact CD2-CG 4.38Å; L1313-E1336 WeakPolarHBondContact CD2-OE2 3.28Å
1314	I	46.6	Very low	37.9	Very low	55 Å²	55	74.6 Å²	74.6	28%	0.282	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	109.5	-177	-54.9	172.5	0	0	0	107.6	M1273 S1274 V1276	M1273-I1314 CarbonylContact C-O 3.57Å; M1273-I1314 WeakPolarHBondContact CA-O 3.47Å; S1274-I1314 PolarHBondContact N-O 3.01Å; S1274-I1314 PolarHBondContact O-N 3.29Å; V1276-I1314 HydrophobicContact CG2-CD1 4.13Å
1315	V	40.8	Very low	38	Very low	34 Å²	34	71.6 Å²	71.6	21%	0.206	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115.6	175.7	-171.9	0	0	0	0	109.9	I1272 M1273 L1313	I1272-V1315 CarbonylContact O-C 3.44Å; I1272-V1315 VanDerWaalsContact O-CA 3.32Å; I1272-V1315 WeakPolarHBondContact O-CA 3.2Å; M1273-V1315 HydrophobicContact CG-CG1 4.31Å; M1273-V1315 HydrophobicContact CG-CG2 4.33Å; L1313-V1315 HydrophobicContact CD2-CG2 4.23Å; L1313-V1315 HydrophobicContact CG-CG2 4.22Å
1316	L	42.9	Very low	37.7	Very low	36 Å²	36	69.4 Å²	69.4	19%	0.188	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.4	-180	-155.8	90.1	0	0	0	109.9	I1271 I1272 L1318 Y1333	I1271-L1316 CarbonylContact C-O 3.41Å; I1271-L1316 VanDerWaalsContact CA-O 3.31Å; I1271-L1316 WeakPolarHBondContact CA-O 3.18Å; I1272-L1316 HydrophobicContact CB-CB 3.85Å; I1272-L1316 HydrophobicContact CD1-CB 4.16Å; I1272-L1316 HydrophobicContact CD1-CD2 3.72Å; I1272-L1316 HydrophobicContact CG1-CB 4.18Å; I1272-L1316 HydrophobicContact CG1-CD2 4.45Å; I1272-L1316 PolarHBondContact N-O 3.16Å; I1272-L1316 PolarHBondContact O-N 3.42Å; L1316-L1318 HydrophobicContact CD2-CD1 3.82Å; L1316-L1318 HydrophobicContact CD2-CD2 4.36Å; L1316-L1318 HydrophobicContact CD2-CG 3.84Å; L1316-L1318 HydrophobicContact CG-CG 4.34Å; L1316-Y1333 HydrophobicContact CB-CD1 4.46Å; L1316-Y1333 HydrophobicContact CB-CE1 4.5Å; L1316-Y1333 HydrophobicContact CD1-CD1 3.44Å; L1316-Y1333 VanDerWaalsContact CD1-CD1 3.44Å; L1316-Y1333 HydrophobicContact CD1-CE1 3.48Å; L1316-Y1333 VanDerWaalsContact CD1-CE1 3.48Å; L1316-Y1333 HydrophobicContact CD1-CG 4.14Å; L1316-Y1333 HydrophobicContact CG-CD1 3.97Å; L1316-Y1333 HydrophobicContact CG-CE1 3.69Å
1317	M	38.3	Very low	37.4	Very low	67 Å²	67	69.6 Å²	69.6	33%	0.33	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.1	167.4	-68.1	-156.2	-150.3	0	0	111.2	L1270 I1271 Y1319 L1331	L1270-M1317 CarbonylContact O-C 3.55Å; L1270-M1317 VanDerWaalsContact O-CA 3.28Å; L1270-M1317 WeakPolarHBondContact O-CA 3.49Å; I1271-M1317 HydrophobicContact CD1-SD 4.45Å; I1271-M1317 HydrophobicContact CG1-CG 4.16Å; I1271-M1317 HydrophobicContact CG1-SD 4.31Å; I1271-M1317 HydrophobicContact CG2-CG 4.3Å; M1317-Y1319 HydrophobicContact CB-CE2 3.96Å; M1317-Y1319 HydrophobicContact SD-CE2 4.31Å; M1317-Y1319 PolarHBondContact SD-OH 2.97Å; M1317-L1331 HydrophobicContact CB-CD1 4.49Å; M1317-L1331 HydrophobicContact SD-CD1 4.32Å
1318	L	40	Very low	36.9	Very low	19 Å²	19	73 Å²	73	10%	0.099	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.5	172.9	-61.1	178.8	0	0	0	111.4	G1269 L1270 L1316 V1325 F1327 Y1333	G1269-L1318 CarbonylContact C-O 3.6Å; G1269-L1318 WeakPolarHBondContact CA-O 3.29Å; L1270-L1318 HydrophobicContact CB-CB 4.26Å; L1270-L1318 HydrophobicContact CD2-CB 4.41Å; L1270-L1318 HydrophobicContact CD2-CD1 4.04Å; L1270-L1318 HydrophobicContact CD2-CG 4.49Å; L1270-L1318 PolarHBondContact N-O 3Å; L1270-L1318 PolarHBondContact O-N 3.49Å; L1316-L1318 HydrophobicContact CD2-CD1 3.82Å; L1316-L1318 HydrophobicContact CD2-CD2 4.36Å; L1316-L1318 HydrophobicContact CD2-CG 3.84Å; L1316-L1318 HydrophobicContact CG-CG 4.34Å; L1318-V1325 HydrophobicContact CD1-CG1 4.33Å; L1318-F1327 HydrophobicContact CD1-CE1 4.43Å; L1318-F1327 HydrophobicContact CD2-CD1 3.67Å; L1318-F1327 HydrophobicContact CD2-CE1 3.82Å; L1318-Y1333 VanDerWaalsContact CD2-OH 3.29Å; L1318-Y1333 WeakPolarHBondContact CD2-OH 3.48Å
1319	Y	38.1	Very low	36.3	Very low	103 Å²	103	71 Å²	71	40%	0.404	39%	0.387	S	S	.	.			trans	-97.5	123.3	176.9	-66.4	-95.8	0	0	0	109.9	M1317 L1331	M1317-Y1319 HydrophobicContact CB-CE2 3.96Å; M1317-Y1319 HydrophobicContact SD-CE2 4.31Å; M1317-Y1319 PolarHBondContact SD-OH 2.97Å; Y1319-L1331 HydrophobicContact CE2-CD1 3.73Å
1320	F	35.1	Very low	35.7	Very low	97 Å²	97	73.3 Å²	73.3	43%	0.425	40%	0.4	S	S	.	.			trans	-85.7	121.2	-177.3	-72.8	-81.8	0	0	0	111.7	W1266 L1270 V1325	W1266-F1320 WeakPolarHBondContact O-CE2 3.46Å; L1270-F1320 HydrophobicContact CB-CE2 4.08Å; F1320-V1325 HydrophobicContact CE1-CG2 4.05Å
1321	T	29.9	Very low	34.7	Very low	70 Å²	70	73.4 Å²	73.4	43%	0.429	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-131.2	131.1	169.1	61	0	0	0	0	110.6	G1323 L1324	T1321-G1323 VanDerWaalsContact C-N 3.34Å; T1321-G1323 PolarHBondContact O-N 3.42Å; T1321-G1323 VanDerWaalsContact O-N 3.09Å; T1321-L1324 PolarHBondContact O-N 2.99Å
1322	N	31.7	Very low	34.3	Very low	102 Å²	102	72 Å²	72	55%	0.545	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	37.8	159.9	-74.2	-1.7	0	0	0	117.3	P1172 L1324	P1172-N1322 HydrophobicContact CG-CB 3.46Å; P1172-N1322 VanDerWaalsContact CG-CB 3.46Å; P1172-N1322 WeakPolarHBondContact CG-OD1 3.39Å; N1322-L1324 PolarHBondContact O-N 2.77Å
1323	G	33.4	Very low	33.6	Very low	87 Å²	87	69 Å²	69	90%	0.897	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-9	169.5	0	0	0	0	0	115.9	T1321	T1321-G1323 VanDerWaalsContact C-N 3.34Å; T1321-G1323 PolarHBondContact O-N 3.42Å; T1321-G1323 VanDerWaalsContact O-N 3.09Å
1324	L	28.5	Very low	33	Very low	61 Å²	61	67.7 Å²	67.7	32%	0.319	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-93.9	143	164.7	-75.8	179.5	0	0	0	110.5	P1170 T1321 N1322 Q1326	P1170-L1324 HydrophobicContact CG-CD1 3.45Å; P1170-L1324 VanDerWaalsContact CG-CD1 3.45Å; P1170-L1324 HydrophobicContact CG-CD2 4.08Å; P1170-L1324 HydrophobicContact CG-CG 3.54Å; T1321-L1324 PolarHBondContact O-N 2.99Å; N1322-L1324 PolarHBondContact O-N 2.77Å; L1324-Q1326 HydrophobicContact CB-CG 4.14Å; L1324-Q1326 HydrophobicContact CD1-CG 4.39Å; L1324-Q1326 PolarHBondContact O-N 2.87Å
1325	V	32.2	Very low	32.2	Very low	76 Å²	76	66 Å²	66	46%	0.461	36%	0.362	S	S	.	.			trans	-74.1	84.1	150.4	-177.7	0	0	0	0	106.8	L1318 F1320 F1327	L1318-V1325 HydrophobicContact CD1-CG1 4.33Å; F1320-V1325 HydrophobicContact CE1-CG2 4.05Å; V1325-F1327 HydrophobicContact CG1-CD2 4.32Å; V1325-F1327 HydrophobicContact CG1-CE2 4.18Å; V1325-F1327 HydrophobicContact CG1-CZ 4.38Å; V1325-F1327 PolarHBondContact O-N 2.66Å; V1325-F1327 VanDerWaalsContact O-N 3.11Å
1326	Q	28.4	Very low	31.7	Very low	84 Å²	84	66.7 Å²	66.7	39%	0.393	36%	0.362	S	S	.	.			trans	-69.6	104.5	161.7	-76.9	-159.5	-39.3	0	0	107.8	L1324 H1328	L1324-Q1326 HydrophobicContact CB-CG 4.14Å; L1324-Q1326 HydrophobicContact CD1-CG 4.39Å; L1324-Q1326 PolarHBondContact O-N 2.87Å; Q1326-H1328 PolarHBondContact O-N 2.89Å
1327	F	30.8	Very low	31.1	Very low	101 Å²	101	67.1 Å²	67.1	44%	0.443	37%	0.365	S	S	.	.			trans	-61.1	91	157.8	-75	-76.1	0	0	0	108	L1318 V1325 N1329 L1378	L1318-F1327 HydrophobicContact CD1-CE1 4.43Å; L1318-F1327 HydrophobicContact CD2-CD1 3.67Å; L1318-F1327 HydrophobicContact CD2-CE1 3.82Å; V1325-F1327 HydrophobicContact CG1-CD2 4.32Å; V1325-F1327 HydrophobicContact CG1-CE2 4.18Å; V1325-F1327 HydrophobicContact CG1-CZ 4.38Å; V1325-F1327 PolarHBondContact O-N 2.66Å; V1325-F1327 VanDerWaalsContact O-N 3.11Å; F1327-N1329 VanDerWaalsContact C-N 3.32Å; F1327-N1329 PolarHBondContact O-N 2.9Å; F1327-L1378 HydrophobicContact CB-CD2 3.95Å; F1327-L1378 HydrophobicContact CD1-CD1 3.85Å; F1327-L1378 HydrophobicContact CD1-CD2 3.44Å; F1327-L1378 VanDerWaalsContact CD1-CD2 3.44Å; F1327-L1378 HydrophobicContact CD1-CG 4.32Å; F1327-L1378 HydrophobicContact CE1-CD1 3.59Å; F1327-L1378 HydrophobicContact CE1-CD2 4.06Å; F1327-L1378 HydrophobicContact CE2-CD1 4.38Å; F1327-L1378 HydrophobicContact CG-CD1 4.34Å; F1327-L1378 HydrophobicContact CG-CD2 3.8Å; F1327-L1378 HydrophobicContact CZ-CD1 3.88Å
1328	H	28.8	Very low	30.7	Very low	105 Å²	105	71.1 Å²	71.1	49%	0.486	38%	0.377	S	S	.	.			trans	-72.1	93.4	173.2	-126.8	-70.3	0	0	0	107	Q1326 T1330	Q1326-H1328 PolarHBondContact O-N 2.89Å; H1328-T1330 PolarHBondContact ND1-OG1 2.85Å; H1328-T1330 PolarHBondContact O-N 3.34Å
1329	N	29	Very low	30.4	Very low	78 Å²	78	75.1 Å²	75.1	42%	0.417	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	36.6	179.7	-83	14.2	0	0	0	113.2	F1327 F1377 L1378	F1327-N1329 VanDerWaalsContact C-N 3.32Å; F1327-N1329 PolarHBondContact O-N 2.9Å; N1329-F1377 PolarHBondContact ND2-O 2.67Å; N1329-L1378 WeakPolarHBondContact OD1-CD2 3.49Å
1330	T	26.5	Very low	29.9	Very low	105 Å²	105	78.4 Å²	78.4	64%	0.644	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134	12	-171.1	61.2	0	0	0	0	112.7	H1328	H1328-T1330 PolarHBondContact ND1-OG1 2.85Å; H1328-T1330 PolarHBondContact O-N 3.34Å
1331	L	25.4	Very low	29.6	Very low	64 Å²	64	80 Å²	80	34%	0.335	42%	0.417	S	S	.	.	S	Bend	trans	-117.8	138.5	148.6	-89.7	167.6	0	0	0	108	M1317 Y1319 Y1333	M1317-L1331 HydrophobicContact CB-CD1 4.49Å; M1317-L1331 HydrophobicContact SD-CD1 4.32Å; Y1319-L1331 HydrophobicContact CE2-CD1 3.73Å; L1331-Y1333 PolarHBondContact O-N 2.9Å
1332	P	28.8	Very low	29.3	Very low	45 Å²	45	82.5 Å²	82.5	29%	0.292	42%	0.424	S	S	.	.			trans	-61.7	127.4	173.2	-25.3	36.3	0	0	0	112.1	D1334 Q1380	P1332-D1334 VanDerWaalsContact CB-OD1 3.26Å; P1332-D1334 WeakPolarHBondContact CB-OD1 3.3Å; P1332-D1334 PolarHBondContact O-N 2.75Å; P1332-Q1380 HydrophobicContact CB-CB 3.89Å; P1332-Q1380 HydrophobicContact CB-CG 4.27Å
1333	Y	29.9	Very low	29	Very low	12 Å²	12	84.7 Å²	84.7	5%	0.047	43%	0.431	C	S	.	.			trans	-81.7	73.4	166.2	-66	-60.6	0	0	0	109	L1316 L1318 L1331 V1335 L1378 Q1380	L1316-Y1333 HydrophobicContact CB-CD1 4.46Å; L1316-Y1333 HydrophobicContact CB-CE1 4.5Å; L1316-Y1333 HydrophobicContact CD1-CD1 3.44Å; L1316-Y1333 VanDerWaalsContact CD1-CD1 3.44Å; L1316-Y1333 HydrophobicContact CD1-CE1 3.48Å; L1316-Y1333 VanDerWaalsContact CD1-CE1 3.48Å; L1316-Y1333 HydrophobicContact CD1-CG 4.14Å; L1316-Y1333 HydrophobicContact CG-CD1 3.97Å; L1316-Y1333 HydrophobicContact CG-CE1 3.69Å; L1318-Y1333 VanDerWaalsContact CD2-OH 3.29Å; L1318-Y1333 WeakPolarHBondContact CD2-OH 3.48Å; L1331-Y1333 PolarHBondContact O-N 2.9Å; Y1333-V1335 PolarHBondContact O-N 2.82Å; Y1333-L1378 WeakPolarHBondContact CB-O 3.19Å; Y1333-L1378 HydrophobicContact CD2-CB 4.26Å; Y1333-L1378 HydrophobicContact CD2-CD2 4.28Å; Y1333-L1378 WeakPolarHBondContact CD2-O 3.4Å; Y1333-L1378 HydrophobicContact CE2-CB 4.43Å; Y1333-L1378 HydrophobicContact CE2-CD2 3.64Å; Y1333-Q1380 CarbonylContact C-O 3.54Å; Y1333-Q1380 PolarHBondContact O-N 2.72Å; Y1333-Q1380 VanDerWaalsContact O-N 3.13Å
1334	D	28.1	Very low	28.6	Very low	20 Å²	20	87.4 Å²	87.4	11%	0.107	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	102	-168.5	-72.9	-49.3	0	0	0	112.5	P1332 E1336 Q1380 K1382 G1393	P1332-D1334 VanDerWaalsContact CB-OD1 3.26Å; P1332-D1334 WeakPolarHBondContact CB-OD1 3.3Å; P1332-D1334 PolarHBondContact O-N 2.75Å; D1334-E1336 PolarHBondContact O-N 3.31Å; D1334-Q1380 CarbonylContact C-O 3.54Å; D1334-Q1380 VanDerWaalsContact CA-O 3.25Å; D1334-Q1380 WeakPolarHBondContact CA-O 3.42Å; D1334-K1382 HydrophobicContact CB-CB 4.29Å; D1334-K1382 HydrophobicContact CB-CD 3.87Å; D1334-K1382 HydrophobicContact CB-CG 4.36Å; D1334-K1382 VanDerWaalsContact CG-CD 3.46Å; D1334-K1382 VanDerWaalsContact CG-NZ 3.32Å; D1334-K1382 WeakPolarHBondContact OD1-CD 3.19Å; D1334-K1382 WeakPolarHBondContact OD1-CE 3.4Å; D1334-K1382 WeakPolarHBondContact OD1-CG 3.41Å; D1334-K1382 IonicContact OD1-NZ 2.9Å; D1334-K1382 WeakPolarHBondContact OD2-CE 3.45Å; D1334-K1382 IonicContact OD2-NZ 2.68Å; D1334-K1382 PolarHBondContact OD2-NZ 2.8Å; D1334-G1393 WeakPolarHBondContact OD1-CA 3.47Å
1335	V	30.3	Very low	28.5	Very low	21 Å²	21	92.3 Å²	92.3	13%	0.127	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	99.2	162	177.5	0	0	0	0	107.3	Y1333 L1337 F1379 Q1380 L1381 K1382	Y1333-V1335 PolarHBondContact O-N 2.82Å; V1335-L1337 PolarHBondContact O-N 2.81Å; V1335-F1379 HydrophobicContact CG2-CD1 3.78Å; V1335-F1379 HydrophobicContact CG2-CE1 4.32Å; V1335-Q1380 PolarHBondContact N-O 3.46Å; V1335-L1381 HydrophobicContact CB-CD2 3.7Å; V1335-L1381 HydrophobicContact CG1-CD2 3.67Å; V1335-K1382 PolarHBondContact O-N 2.82Å
1336	E	29.3	Very low	28.1	Very low	47 Å²	47	97.4 Å²	97.4	22%	0.22	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	102.6	-176.8	-69.9	-165.8	166	0	0	111.7	L1313 D1334 Y1338 K1382 W1390	L1313-E1336 HydrophobicContact CB-CB 4.45Å; L1313-E1336 HydrophobicContact CD2-CB 4.48Å; L1313-E1336 HydrophobicContact CD2-CG 4.38Å; L1313-E1336 WeakPolarHBondContact CD2-OE2 3.28Å; D1334-E1336 PolarHBondContact O-N 3.31Å; E1336-Y1338 PolarHBondContact O-N 2.78Å; E1336-Y1338 VanDerWaalsContact O-N 3.12Å; E1336-K1382 HydrophobicContact CG-CB 4.15Å; E1336-K1382 HydrophobicContact CG-CD 4.26Å; E1336-W1390 HydrophobicContact CB-CH2 3.7Å; E1336-W1390 HydrophobicContact CB-CZ2 4.26Å; E1336-W1390 HydrophobicContact CB-CZ3 3.97Å; E1336-W1390 HydrophobicContact CG-CH2 4.18Å; E1336-W1390 HydrophobicContact CG-CZ2 4.37Å; E1336-W1390 HydrophobicContact CG-CZ3 4.29Å; E1336-W1390 WeakPolarHBondContact OE2-CZ2 3.14Å
1337	L	31.2	Very low	28	Very low	46 Å²	46	103.6 Å²	103.6	24%	0.241	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	93	171.2	-73.3	172.9	0	0	0	109.8	V1335 F1339 L1381 K1382	V1335-L1337 PolarHBondContact O-N 2.81Å; L1337-F1339 HydrophobicContact CB-CD2 4.13Å; L1337-F1339 HydrophobicContact CB-CE2 3.56Å; L1337-F1339 HydrophobicContact CB-CZ 4.04Å; L1337-F1339 HydrophobicContact CD1-CE2 4.14Å; L1337-F1339 HydrophobicContact CD1-CZ 4.1Å; L1337-F1339 HydrophobicContact CG-CE2 4.45Å; L1337-F1339 VanDerWaalsContact O-CD2 3.32Å; L1337-F1339 WeakPolarHBondContact O-CD2 3.16Å; L1337-F1339 PolarHBondContact O-N 2.77Å; L1337-L1381 HydrophobicContact CD1-CD1 4.15Å; L1337-L1381 HydrophobicContact CD1-CD2 3.81Å; L1337-L1381 HydrophobicContact CD1-CG 4.43Å; L1337-L1381 HydrophobicContact CG-CD2 4Å; L1337-K1382 PolarHBondContact N-O 3.36Å
1338	Y	30.2	Very low	27.7	Very low	151 Å²	151	101.6 Å²	101.6	59%	0.592	50%	0.499	S	S	*	.			trans	-76.6	82.4	179.5	-155.7	-74	0	0	0	111.6	E1336 K1340 W1390	E1336-Y1338 PolarHBondContact O-N 2.78Å; E1336-Y1338 VanDerWaalsContact O-N 3.12Å; Y1338-K1340 VanDerWaalsContact C-N 3.26Å; Y1338-K1340 HydrophobicContact CD1-CB 3.98Å; Y1338-K1340 HydrophobicContact CE1-CB 4.02Å; Y1338-K1340 HydrophobicContact CE1-CG 4.36Å; Y1338-K1340 PolarHBondContact O-N 2.83Å; Y1338-W1390 AromaticContact CD2-CH2 3.64Å; Y1338-W1390 HydrophobicContact CD2-CH2 3.64Å; Y1338-W1390 AromaticContact CD2-CZ2 3.63Å; Y1338-W1390 HydrophobicContact CD2-CZ2 3.63Å; Y1338-W1390 HydrophobicContact CE2-CH2 4.36Å; Y1338-W1390 AromaticContact CE2-CZ2 3.98Å; Y1338-W1390 HydrophobicContact CE2-CZ2 3.98Å; Y1338-W1390 HydrophobicContact CG-CH2 4.29Å
1339	F	32	Very low	27.4	Very low	103 Å²	103	105 Å²	105	45%	0.452	52%	0.517	S	S	.	.			trans	-72	77.9	172.8	-65	-74.3	0	0	0	111.3	L1337 K1341 M1383	L1337-F1339 HydrophobicContact CB-CD2 4.13Å; L1337-F1339 HydrophobicContact CB-CE2 3.56Å; L1337-F1339 HydrophobicContact CB-CZ 4.04Å; L1337-F1339 HydrophobicContact CD1-CE2 4.14Å; L1337-F1339 HydrophobicContact CD1-CZ 4.1Å; L1337-F1339 HydrophobicContact CG-CE2 4.45Å; L1337-F1339 VanDerWaalsContact O-CD2 3.32Å; L1337-F1339 WeakPolarHBondContact O-CD2 3.16Å; L1337-F1339 PolarHBondContact O-N 2.77Å; F1339-K1341 PolarHBondContact O-N 2.81Å; F1339-K1341 VanDerWaalsContact O-N 3.15Å; F1339-M1383 HydrophobicContact CE2-CE 4Å; F1339-M1383 HydrophobicContact CE2-CG 4.16Å
1340	K	28.7	Very low	27.2	Very low	172 Å²	172	110 Å²	110	75%	0.748	54%	0.535	S	S	*	.			trans	-64.6	114.3	175.1	-168.6	177.6	-178.3	-175.6	0	109.4	Y1338 Q1342	Y1338-K1340 VanDerWaalsContact C-N 3.26Å; Y1338-K1340 HydrophobicContact CD1-CB 3.98Å; Y1338-K1340 HydrophobicContact CE1-CB 4.02Å; Y1338-K1340 HydrophobicContact CE1-CG 4.36Å; Y1338-K1340 PolarHBondContact O-N 2.83Å; K1340-Q1342 PolarHBondContact O-N 2.8Å
1341	K	28.1	Very low	27.2	Very low	131 Å²	131	113.1 Å²	113.1	57%	0.57	55%	0.547	S	S	*	.			trans	-58.2	107.4	169.4	-178.8	-169.5	177.6	-161.6	0	108.7	F1339	F1339-K1341 PolarHBondContact O-N 2.81Å; F1339-K1341 VanDerWaalsContact O-N 3.15Å
1342	Q	24.1	Very low	27.1	Very low	121 Å²	121	117.7 Å²	117.7	57%	0.565	57%	0.571	S	S	*	*			trans	-75.7	122.6	159.2	-112	176.7	-40	0	0	107.3	K1340	K1340-Q1342 PolarHBondContact O-N 2.8Å
1343	E	26	Very low	27	Very low	149 Å²	149	119.9 Å²	119.9	70%	0.696	59%	0.593	S	S	*	*	S	Bend	trans	-73.2	126.4	171	-57.5	-179.7	127.9	0	0	107.4
1344	N	25.6	Very low	27	Very low	143 Å²	143	125.7 Å²	125.7	77%	0.765	63%	0.625	S	S	*	*			trans	127.8	48.8	172.1	-64.8	-24	0	0	0	116.6
1345	L	25.9	Very low	26.9	Very low	164 Å²	164	128.5 Å²	128.5	86%	0.859	66%	0.658	S	S	*	*			trans	-131.1	94	164	-99.4	167.8	0	0	0	112.2	Y1347	L1345-Y1347 PolarHBondContact O-N 3.03Å
1346	Q	23	Very low	26.7	Very low	183 Å²	183	131.5 Å²	131.5	86%	0.855	68%	0.68	S	S	*	*			trans	-90.4	73.5	-175.2	-65.3	-178.9	-46.2	0	0	113.7
1347	Y	26.7	Very low	26.5	Very low	214 Å²	214	138.9 Å²	138.9	84%	0.839	72%	0.715	S	S	*	*			trans	-142.6	127.9	161.2	-75	-73.7	0	0	0	110.4	L1345	L1345-Y1347 PolarHBondContact O-N 3.03Å
1348	G	23.9	Very low	26.4	Very low	60 Å²	60	140.2 Å²	140.2	62%	0.619	73%	0.725	S	S	*	*			trans	-156.8	-179	-171.1	0	0	0	0	0	114.7
1349	M	23.8	Very low	26.5	Very low	175 Å²	175	136.1 Å²	136.1	86%	0.862	72%	0.722	S	S	*	*			trans	-141.3	151.4	173	-119.4	-179.9	173.1	0	0	109.5
1350	K	23.2	Very low	26.6	Very low	184 Å²	184	134.9 Å²	134.9	80%	0.8	72%	0.724	S	S	*	*			trans	-117.2	106.1	-155.8	-156.5	175.2	-168.4	174.4	0	111.6
1351	L	26.1	Very low	26.9	Very low	171 Å²	171	129 Å²	129	90%	0.895	70%	0.703	S	S	*	*			trans	-111.8	129.1	170.2	-90.5	164.6	0	0	0	110	A1353	L1351-A1353 PolarHBondContact O-N 2.72Å
1352	L	24.8	Very low	27.4	Very low	159 Å²	159	128.8 Å²	128.8	83%	0.832	71%	0.708	S	S	*	*			trans	-101.5	88.1	-164.6	-75.3	167	0	0	0	112.6
1353	A	27.1	Very low	27.9	Very low	91 Å²	91	127 Å²	127	75%	0.752	71%	0.706	S	S	*	*	S	Bend	trans	-145.7	101.7	161.6	0	0	0	0	0	110.5	L1351	L1351-A1353 PolarHBondContact O-N 2.72Å
1354	N	28.2	Very low	28.7	Very low	135 Å²	135	126.8 Å²	126.8	72%	0.722	70%	0.699	S	S	*	*	S	Bend	trans	54	69.9	166.8	-60.1	-16.8	0	0	0	118.6
1355	G	27	Very low	29	Very low	79 Å²	79	124.6 Å²	124.6	81%	0.814	69%	0.691	S	S	*	*	S	Bend		89.4	23	126.3	0	0	0	0	0	120
1356	S	26.5	Very low	29.4	Very low	84 Å²	84	119.8 Å²	119.8	59%	0.587	67%	0.67	S	S	*	*			trans	-146.5	144.2	167.3	-68.8	0	0	0	0	111.9
1357	E	25.3	Very low	29.9	Very low	202 Å²	202	115.1 Å²	115.1	94%	0.944	66%	0.656	S	S	*	*			trans	-77.9	123.2	179.2	-62.5	-171.3	136.8	0	0	110.9
1358	V	29.2	Very low	30.4	Very low	74 Å²	74	106.7 Å²	106.7	45%	0.448	63%	0.631	S	S	.	*			trans	-125.8	111.8	178.2	-177.4	0	0	0	0	109	W1458	V1358-W1458 HydrophobicContact CG1-CE3 4.31Å; V1358-W1458 HydrophobicContact CG1-CZ3 3.84Å
1359	A	32.5	Very low	30.9	Very low	64 Å²	64	108.9 Å²	108.9	53%	0.529	63%	0.632	S	S	.	*			trans	-72.1	151.1	170.2	0	0	0	0	0	110.6
1360	P	32.6	Very low	31.3	Very low	78 Å²	78	106.2 Å²	106.2	51%	0.506	62%	0.62	S	S	.	*			trans	-64.8	134.3	-176.8	26	-34.7	0	0	0	111.8	L1362	P1360-L1362 PolarHBondContact O-N 3.35Å
1361	P	34.7	Very low	31.5	Very low	48 Å²	48	100.1 Å²	100.1	31%	0.312	60%	0.599	S	S	.	*			trans	-70.6	103.5	176.7	28.3	-34.4	0	0	0	111	P1435 W1458	P1361-P1435 HydrophobicContact CB-CG 4.04Å; P1361-P1435 HydrophobicContact CG-CG 3.52Å; P1361-W1458 HydrophobicContact CB-CH2 3.82Å; P1361-W1458 HydrophobicContact CB-CZ2 4.47Å; P1361-W1458 HydrophobicContact CG-CH2 3.54Å; P1361-W1458 HydrophobicContact CG-CZ2 4.28Å; P1361-W1458 HydrophobicContact CG-CZ3 4.2Å
1362	L	38.4	Very low	31.5	Very low	126 Å²	126	95.2 Å²	95.2	66%	0.66	57%	0.574	S	S	*	*			trans	-59	145.9	162.3	-76	163.5	0	0	0	109.7	P1360 Y1364	P1360-L1362 PolarHBondContact O-N 3.35Å; L1362-Y1364 HydrophobicContact CB-CE2 4.34Å; L1362-Y1364 WeakPolarHBondContact O-CD2 3.34Å; L1362-Y1364 VanDerWaalsContact O-CE2 3.28Å; L1362-Y1364 WeakPolarHBondContact O-CE2 3.31Å; L1362-Y1364 PolarHBondContact O-N 2.81Å
1363	T	36.2	Very low	31.8	Very low	85 Å²	85	92.8 Å²	92.8	52%	0.521	56%	0.558	S	S	.	*			trans	-73.3	99.9	175.9	-60.4	0	0	0	0	109.1	T1432 T1434	T1363-T1432 HydrophobicContact CG2-CG2 3.51Å; T1363-T1434 HydrophobicContact CG2-CG2 4.02Å
1364	Y	41.5	Very low	31.9	Very low	144 Å²	144	91.6 Å²	91.6	57%	0.565	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	134.7	-177.1	-68.4	-79.2	0	0	0	111.6	L1362 I1433	L1362-Y1364 HydrophobicContact CB-CE2 4.34Å; L1362-Y1364 WeakPolarHBondContact O-CD2 3.34Å; L1362-Y1364 VanDerWaalsContact O-CE2 3.28Å; L1362-Y1364 WeakPolarHBondContact O-CE2 3.31Å; L1362-Y1364 PolarHBondContact O-N 2.81Å; Y1364-I1433 PolarHBondContact O-N 3.23Å; Y1364-I1433 VanDerWaalsContact O-N 3.12Å
1365	V	33.2	Very low	32	Very low	96 Å²	96	88.6 Å²	88.6	58%	0.582	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	109	-179.2	-179.3	0	0	0	0	107.8	I1430	V1365-I1430 HydrophobicContact CG1-CG2 3.6Å
1366	C	32.6	Very low	32.3	Very low	63 Å²	63	85.7 Å²	85.7	43%	0.426	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.9	178.5	-170.9	0	0	0	0	110.6	A1368 C1431	C1366-A1368 PolarHBondContact O-N 2.84Å; C1366-C1431 PolarHBondContact N-O 3.07Å; C1366-C1431 PolarHBondContact O-N 2.91Å
1367	P	33.9	Very low	32.5	Very low	85 Å²	85	88.8 Å²	88.8	55%	0.552	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	110.7	169.9	30.5	-31.1	0	0	0	109.8	V1369 T1428	P1367-V1369 PolarHBondContact O-N 2.69Å; P1367-V1369 VanDerWaalsContact O-N 3.11Å; P1367-T1428 HydrophobicContact CB-CG2 4.41Å
1368	A	37.5	Very low	32.8	Very low	38 Å²	38	80.2 Å²	80.2	31%	0.314	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	101.3	173.7	0	0	0	0	0	109.6	C1366 T1428 K1429	C1366-A1368 PolarHBondContact O-N 2.84Å; A1368-T1428 WeakPolarHBondContact O-CG2 3.3Å; A1368-K1429 HydrophobicContact CB-CB 4.37Å; A1368-K1429 VanDerWaalsContact CB-O 3.31Å; A1368-K1429 WeakPolarHBondContact CB-O 3.23Å; A1368-K1429 PolarHBondContact N-O 2.88Å
1369	V	34.7	Very low	33.2	Very low	106 Å²	106	80.4 Å²	80.4	64%	0.642	45%	0.451	S	S	*	.			trans	-61.9	133.1	-173.7	179.4	0	0	0	0	111.5	P1367	P1367-V1369 PolarHBondContact O-N 2.69Å; P1367-V1369 VanDerWaalsContact O-N 3.11Å
1370	L	31.4	Very low	33.5	Very low	119 Å²	119	79.1 Å²	79.1	62%	0.623	43%	0.434	S	S	*	.			trans	57.4	104.8	173.5	-78.2	163.7	0	0	0	116.7	L1372	L1370-L1372 PolarHBondContact O-N 2.81Å
1371	P	28	Very low	34.1	Very low	55 Å²	55	76.9 Å²	76.9	36%	0.357	42%	0.417	S	S	.	.			trans	-78.2	75.8	170.2	33.8	-34.4	0	0	0	110.5	Q1373 F1427	P1371-Q1373 PolarHBondContact O-N 2.76Å; P1371-F1427 WeakPolarHBondContact CD-O 3.21Å
1372	L	26.9	Very low	34.5	Very low	69 Å²	69	76.5 Å²	76.5	36%	0.361	41%	0.411	S	S	.	.			trans	-62.2	88	159.1	-88.4	160.4	0	0	0	108.1	L1129 L1370 I1374 L1375	L1129-L1372 HydrophobicContact CD2-CD2 3.87Å; L1370-L1372 PolarHBondContact O-N 2.81Å; L1372-I1374 PolarHBondContact O-N 3.27Å; L1372-L1375 HydrophobicContact CB-CD1 4.22Å; L1372-L1375 HydrophobicContact CD1-CD1 4.13Å; L1372-L1375 PolarHBondContact O-N 3.17Å
1373	Q	30.7	Very low	35.1	Very low	108 Å²	108	71 Å²	71	51%	0.505	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-14.1	-173.6	-68.1	-176.1	5.2	0	0	114.7	E1126 P1371	E1126-Q1373 PolarHBondContact OE1-NE2 2.97Å; E1126-Q1373 PolarHBondContact OE1-OE1 2.92Å; E1126-Q1373 VanDerWaalsContact OE1-OE1 3.13Å; P1371-Q1373 PolarHBondContact O-N 2.76Å
1374	I	28.5	Very low	35.7	Very low	66 Å²	66	68.8 Å²	68.8	34%	0.338	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-22.6	-177	-43.2	145.6	0	0	0	111.5	L1129 K1130 A1133 L1372	L1129-I1374 WeakPolarHBondContact O-CD1 3.4Å; K1130-I1374 HydrophobicContact CG-CD1 4.47Å; K1130-I1374 HydrophobicContact CG-CG1 4.33Å; A1133-I1374 HydrophobicContact CB-CB 4.34Å; A1133-I1374 HydrophobicContact CB-CD1 3.89Å; A1133-I1374 HydrophobicContact CB-CG2 3.74Å; L1372-I1374 PolarHBondContact O-N 3.27Å
1375	L	31.2	Very low	36.2	Very low	71 Å²	71	64 Å²	64	37%	0.372	35%	0.351	S	S	.	.	S	Bend	trans	-93.4	-1.6	174.7	-70.8	166.1	0	0	0	112.9	L1372 F1377 L1378 F1379	L1372-L1375 HydrophobicContact CB-CD1 4.22Å; L1372-L1375 HydrophobicContact CD1-CD1 4.13Å; L1372-L1375 PolarHBondContact O-N 3.17Å; L1375-F1377 PolarHBondContact O-N 3.45Å; L1375-L1378 HydrophobicContact CD2-CD1 4.44Å; L1375-L1378 PolarHBondContact O-N 2.67Å; L1375-F1379 HydrophobicContact CB-CD2 4.37Å; L1375-F1379 HydrophobicContact CB-CE2 3.68Å; L1375-F1379 HydrophobicContact CB-CZ 4.39Å; L1375-F1379 HydrophobicContact CD1-CE2 4.08Å; L1375-F1379 HydrophobicContact CD1-CZ 4.12Å; L1375-F1379 HydrophobicContact CG-CE2 4.36Å
1376	G	33	Very low	37.3	Very low	19 Å²	19	60.8 Å²	60.8	20%	0.196	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	23.9	-172.8	0	0	0	0	0	116.9	D1397	G1376-D1397 WeakPolarHBondContact CA-OD2 3.46Å; G1376-D1397 VanDerWaalsContact O-CB 3.27Å; G1376-D1397 WeakPolarHBondContact O-CB 3.43Å
1377	F	30.8	Very low	38.2	Very low	149 Å²	149	63.7 Å²	63.7	65%	0.654	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	0.4	174.3	-77.4	-84.8	0	0	0	112.6	N1329 L1375	N1329-F1377 PolarHBondContact ND2-O 2.67Å; L1375-F1377 PolarHBondContact O-N 3.45Å
1378	L	31.9	Very low	39.2	Very low	22 Å²	22	59.7 Å²	59.7	12%	0.115	32%	0.322	C	S	.	.	S	Bend	trans	-130.4	19.6	-160.6	-64.8	175.3	0	0	0	115	F1327 N1329 Y1333 L1375	F1327-L1378 HydrophobicContact CB-CD2 3.95Å; F1327-L1378 HydrophobicContact CD1-CD1 3.85Å; F1327-L1378 HydrophobicContact CD1-CD2 3.44Å; F1327-L1378 VanDerWaalsContact CD1-CD2 3.44Å; F1327-L1378 HydrophobicContact CD1-CG 4.32Å; F1327-L1378 HydrophobicContact CE1-CD1 3.59Å; F1327-L1378 HydrophobicContact CE1-CD2 4.06Å; F1327-L1378 HydrophobicContact CE2-CD1 4.38Å; F1327-L1378 HydrophobicContact CG-CD1 4.34Å; F1327-L1378 HydrophobicContact CG-CD2 3.8Å; F1327-L1378 HydrophobicContact CZ-CD1 3.88Å; N1329-L1378 WeakPolarHBondContact OD1-CD2 3.49Å; Y1333-L1378 WeakPolarHBondContact CB-O 3.19Å; Y1333-L1378 HydrophobicContact CD2-CB 4.26Å; Y1333-L1378 HydrophobicContact CD2-CD2 4.28Å; Y1333-L1378 WeakPolarHBondContact CD2-O 3.4Å; Y1333-L1378 HydrophobicContact CE2-CB 4.43Å; Y1333-L1378 HydrophobicContact CE2-CD2 3.64Å; L1375-L1378 HydrophobicContact CD2-CD1 4.44Å; L1375-L1378 PolarHBondContact O-N 2.67Å
1379	F	37.4	Very low	39.9	Very low	78 Å²	78	59.4 Å²	59.4	34%	0.342	32%	0.323	S	S	.	.			trans	-124.1	133.6	174.5	-69.8	-60.9	0	0	0	112.3	V1335 L1375 P1395	V1335-F1379 HydrophobicContact CG2-CD1 3.78Å; V1335-F1379 HydrophobicContact CG2-CE1 4.32Å; L1375-F1379 HydrophobicContact CB-CD2 4.37Å; L1375-F1379 HydrophobicContact CB-CE2 3.68Å; L1375-F1379 HydrophobicContact CB-CZ 4.39Å; L1375-F1379 HydrophobicContact CD1-CE2 4.08Å; L1375-F1379 HydrophobicContact CD1-CZ 4.12Å; L1375-F1379 HydrophobicContact CG-CE2 4.36Å; F1379-P1395 WeakPolarHBondContact O-CA 3.48Å
1380	Q	39.3	Very low	40.6	Very low	37 Å²	37	58 Å²	58	17%	0.173	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128	165.7	-63.2	-160.7	24.4	0	0	108.6	P1332 Y1333 D1334 V1335 G1393 F1394 P1395	P1332-Q1380 HydrophobicContact CB-CB 3.89Å; P1332-Q1380 HydrophobicContact CB-CG 4.27Å; Y1333-Q1380 CarbonylContact C-O 3.54Å; Y1333-Q1380 PolarHBondContact O-N 2.72Å; Y1333-Q1380 VanDerWaalsContact O-N 3.13Å; D1334-Q1380 CarbonylContact C-O 3.54Å; D1334-Q1380 VanDerWaalsContact CA-O 3.25Å; D1334-Q1380 WeakPolarHBondContact CA-O 3.42Å; V1335-Q1380 PolarHBondContact N-O 3.46Å; Q1380-G1393 VanDerWaalsContact OE1-C 3.31Å; Q1380-G1393 PolarHBondContact OE1-O 3.3Å; Q1380-F1394 CarbonylContact C-O 3.51Å; Q1380-F1394 VanDerWaalsContact CA-O 3.26Å; Q1380-F1394 WeakPolarHBondContact CA-O 3.37Å; Q1380-P1395 HydrophobicContact CG-CB 4.2Å
1381	L	43.8	Very low	41.6	Very low	30 Å²	30	52.5 Å²	52.5	16%	0.157	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	147.1	177.1	-74.5	170.3	0	0	0	110	V1335 L1337 G1393 F1394 V1396	V1335-L1381 HydrophobicContact CB-CD2 3.7Å; V1335-L1381 HydrophobicContact CG1-CD2 3.67Å; L1337-L1381 HydrophobicContact CD1-CD1 4.15Å; L1337-L1381 HydrophobicContact CD1-CD2 3.81Å; L1337-L1381 HydrophobicContact CD1-CG 4.43Å; L1337-L1381 HydrophobicContact CG-CD2 4Å; L1381-G1393 CarbonylContact O-C 3.56Å; L1381-G1393 WeakPolarHBondContact O-CA 3.24Å; L1381-F1394 HydrophobicContact CB-CD1 4.38Å; L1381-F1394 HydrophobicContact CB-CD2 4.18Å; L1381-F1394 HydrophobicContact CB-CE1 3.77Å; L1381-F1394 HydrophobicContact CB-CE2 3.55Å; L1381-F1394 HydrophobicContact CB-CZ 3.31Å; L1381-F1394 HydrophobicContact CD1-CE2 3.83Å; L1381-F1394 HydrophobicContact CD1-CZ 4.08Å; L1381-F1394 HydrophobicContact CG-CE2 4.3Å; L1381-F1394 HydrophobicContact CG-CZ 4.35Å; L1381-F1394 PolarHBondContact N-O 2.92Å; L1381-F1394 WeakPolarHBondContact O-CD1 3.25Å; L1381-F1394 WeakPolarHBondContact O-CE1 3.41Å; L1381-F1394 PolarHBondContact O-N 3.14Å; L1381-V1396 HydrophobicContact CD1-CG2 3.4Å; L1381-V1396 VanDerWaalsContact CD1-CG2 3.4Å; L1381-V1396 HydrophobicContact CG-CG2 3.79Å
1382	K	44.1	Very low	42.7	Very low	41 Å²	41	53.6 Å²	53.6	18%	0.178	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141	168	-125.4	179.8	-161.2	159.4	0	109.9	D1334 V1335 E1336 L1337 W1390 S1391	D1334-K1382 HydrophobicContact CB-CB 4.29Å; D1334-K1382 HydrophobicContact CB-CD 3.87Å; D1334-K1382 HydrophobicContact CB-CG 4.36Å; D1334-K1382 VanDerWaalsContact CG-CD 3.46Å; D1334-K1382 VanDerWaalsContact CG-NZ 3.32Å; D1334-K1382 WeakPolarHBondContact OD1-CD 3.19Å; D1334-K1382 WeakPolarHBondContact OD1-CE 3.4Å; D1334-K1382 WeakPolarHBondContact OD1-CG 3.41Å; D1334-K1382 IonicContact OD1-NZ 2.9Å; D1334-K1382 WeakPolarHBondContact OD2-CE 3.45Å; D1334-K1382 IonicContact OD2-NZ 2.68Å; D1334-K1382 PolarHBondContact OD2-NZ 2.8Å; V1335-K1382 PolarHBondContact O-N 2.82Å; E1336-K1382 HydrophobicContact CG-CB 4.15Å; E1336-K1382 HydrophobicContact CG-CD 4.26Å; L1337-K1382 PolarHBondContact N-O 3.36Å; K1382-W1390 HydrophobicContact CB-CE3 4.28Å; K1382-W1390 HydrophobicContact CD-CB 4.2Å; K1382-S1391 WeakPolarHBondContact CE-O 3.13Å; K1382-S1391 VanDerWaalsContact CG-O 3.29Å; K1382-S1391 WeakPolarHBondContact CG-O 3.36Å
1383	M	50.7	Low	43.8	Very low	11 Å²	11	50.9 Å²	50.9	5%	0.054	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.5	178.7	-74.2	-176.4	60.7	0	0	111.7	F1339 S1391 F1394 I1405 I1433	F1339-M1383 HydrophobicContact CE2-CE 4Å; F1339-M1383 HydrophobicContact CE2-CG 4.16Å; M1383-S1391 PolarHBondContact N-OG 2.73Å; M1383-S1391 WeakPolarHBondContact O-CB 3.35Å; M1383-S1391 PolarHBondContact O-N 2.92Å; M1383-S1391 PolarHBondContact O-OG 3.25Å; M1383-F1394 HydrophobicContact CB-CE1 4.45Å; M1383-F1394 HydrophobicContact CG-CE1 3.84Å; M1383-F1394 HydrophobicContact CG-CZ 3.89Å; M1383-F1394 HydrophobicContact SD-CE1 4.1Å; M1383-F1394 HydrophobicContact SD-CZ 3.79Å; M1383-I1405 HydrophobicContact CB-CG2 4.42Å; M1383-I1405 HydrophobicContact CG-CD1 4.49Å; M1383-I1405 HydrophobicContact SD-CD1 3.51Å; M1383-I1405 VanDerWaalsContact SD-CD1 3.51Å; M1383-I1433 HydrophobicContact CE-CD1 4.18Å; M1383-I1433 HydrophobicContact CE-CG2 4.37Å; M1383-I1433 HydrophobicContact SD-CD1 3.9Å
1384	K	48.9	Very low	44.7	Very low	38 Å²	38	46.5 Å²	46.5	17%	0.165	26%	0.255	C	S	.	.			trans	-131.5	144.9	168.2	166	167	174.5	122.3	0	108	G1386 D1387 S1388 W1390	K1384-G1386 WeakPolarHBondContact CE-O 3.44Å; K1384-D1387 VanDerWaalsContact NZ-C 3.33Å; K1384-D1387 PolarHBondContact NZ-O 3.16Å; K1384-S1388 VanDerWaalsContact CD-O 3.23Å; K1384-S1388 WeakPolarHBondContact CD-O 3.38Å; K1384-S1388 WeakPolarHBondContact CE-O 3.32Å; K1384-S1388 VanDerWaalsContact CG-O 3.31Å; K1384-S1388 WeakPolarHBondContact CG-O 3.33Å; K1384-S1388 PolarHBondContact NZ-O 2.86Å; K1384-W1390 HydrophobicContact CB-CD2 3.96Å; K1384-W1390 HydrophobicContact CB-CE3 3.51Å; K1384-W1390 HydrophobicContact CB-CH2 4.22Å; K1384-W1390 HydrophobicContact CB-CZ3 3.65Å
1385	V	52.5	Low	45.7	Very low	44 Å²	44	46.4 Å²	46.4	27%	0.267	26%	0.259	S	S	.	.			trans	-127.6	112.2	-176.7	176.3	0	0	0	0	109.3	D1387 S1388 F1416	V1385-D1387 PolarHBondContact O-N 2.72Å; V1385-S1388 PolarHBondContact N-OG 2.85Å; V1385-S1388 VanDerWaalsContact N-OG 3.14Å; V1385-S1388 WeakPolarHBondContact O-CB 3.21Å; V1385-S1388 PolarHBondContact O-N 2.6Å; V1385-S1388 PolarHBondContact O-OG 3.14Å; V1385-F1416 HydrophobicContact CG2-CE2 3.75Å; V1385-F1416 HydrophobicContact CG2-CZ 3.82Å
1386	G	56.2	Low	46.6	Very low	28 Å²	28	43.8 Å²	43.8	29%	0.289	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-127.5	-172.2	0	0	0	0	0	110.8	K1384	K1384-G1386 WeakPolarHBondContact CE-O 3.44Å
1387	D	50.2	Low	47.1	Very low	123 Å²	123	44.8 Å²	44.8	66%	0.658	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-7.4	-176.6	-61.9	-67.2	0	0	0	114.4	K1384 V1385	K1384-D1387 VanDerWaalsContact NZ-C 3.33Å; K1384-D1387 PolarHBondContact NZ-O 3.16Å; V1385-D1387 PolarHBondContact O-N 2.72Å
1388	S	54.6	Low	47.6	Very low	1 Å²	1	39.8 Å²	39.8	1%	0.007	23%	0.23	C	C	.	.	S	Bend	trans	-53	157.2	-179.4	61.7	0	0	0	0	115.2	K1384 V1385	K1384-S1388 VanDerWaalsContact CD-O 3.23Å; K1384-S1388 WeakPolarHBondContact CD-O 3.38Å; K1384-S1388 WeakPolarHBondContact CE-O 3.32Å; K1384-S1388 VanDerWaalsContact CG-O 3.31Å; K1384-S1388 WeakPolarHBondContact CG-O 3.33Å; K1384-S1388 PolarHBondContact NZ-O 2.86Å; V1385-S1388 PolarHBondContact N-OG 2.85Å; V1385-S1388 VanDerWaalsContact N-OG 3.14Å; V1385-S1388 WeakPolarHBondContact O-CB 3.21Å; V1385-S1388 PolarHBondContact O-N 2.6Å; V1385-S1388 PolarHBondContact O-OG 3.14Å
1389	G	52.3	Low	47.9	Very low	32 Å²	32	44.1 Å²	44.1	33%	0.33	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-63.9	149.1	167.4	0	0	0	0	0	112.4	T1408	G1389-T1408 WeakPolarHBondContact CA-O 3.48Å; G1389-T1408 PolarHBondContact N-O 2.69Å; G1389-T1408 PolarHBondContact O-N 2.65Å
1390	W	50.1	Low	48.1	Very low	76 Å²	76	44 Å²	44	29%	0.288	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-55.9	148.4	177.2	-68.1	110.3	0	0	0	112.9	E1336 Y1338 K1382 K1384	E1336-W1390 HydrophobicContact CB-CH2 3.7Å; E1336-W1390 HydrophobicContact CB-CZ2 4.26Å; E1336-W1390 HydrophobicContact CB-CZ3 3.97Å; E1336-W1390 HydrophobicContact CG-CH2 4.18Å; E1336-W1390 HydrophobicContact CG-CZ2 4.37Å; E1336-W1390 HydrophobicContact CG-CZ3 4.29Å; E1336-W1390 WeakPolarHBondContact OE2-CZ2 3.14Å; Y1338-W1390 AromaticContact CD2-CH2 3.64Å; Y1338-W1390 HydrophobicContact CD2-CH2 3.64Å; Y1338-W1390 AromaticContact CD2-CZ2 3.63Å; Y1338-W1390 HydrophobicContact CD2-CZ2 3.63Å; Y1338-W1390 HydrophobicContact CE2-CH2 4.36Å; Y1338-W1390 AromaticContact CE2-CZ2 3.98Å; Y1338-W1390 HydrophobicContact CE2-CZ2 3.98Å; Y1338-W1390 HydrophobicContact CG-CH2 4.29Å; K1382-W1390 HydrophobicContact CB-CE3 4.28Å; K1382-W1390 HydrophobicContact CD-CB 4.2Å; K1384-W1390 HydrophobicContact CB-CD2 3.96Å; K1384-W1390 HydrophobicContact CB-CE3 3.51Å; K1384-W1390 HydrophobicContact CB-CH2 4.22Å; K1384-W1390 HydrophobicContact CB-CZ3 3.65Å
1391	S	51.7	Low	48.2	Very low	5 Å²	5	45 Å²	45	4%	0.035	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-70.9	169.5	171.2	72.8	0	0	0	0	113.4	K1382 M1383 T1406	K1382-S1391 WeakPolarHBondContact CE-O 3.13Å; K1382-S1391 VanDerWaalsContact CG-O 3.29Å; K1382-S1391 WeakPolarHBondContact CG-O 3.36Å; M1383-S1391 PolarHBondContact N-OG 2.73Å; M1383-S1391 WeakPolarHBondContact O-CB 3.35Å; M1383-S1391 PolarHBondContact O-N 2.92Å; M1383-S1391 PolarHBondContact O-OG 3.25Å; S1391-T1406 WeakPolarHBondContact CA-O 3.3Å; S1391-T1406 VanDerWaalsContact CB-O 3.24Å; S1391-T1406 WeakPolarHBondContact CB-O 3.18Å
1392	S	51.9	Low	48.6	Very low	77 Å²	77	44.5 Å²	44.5	54%	0.538	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-60.2	150.5	151.2	55.2	0	0	0	0	110.1
1393	G	49.8	Very low	49.2	Very low	12 Å²	12	44 Å²	44	12%	0.124	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-67.2	153.6	170.3	0	0	0	0	0	112.4	D1334 Q1380 L1381	D1334-G1393 WeakPolarHBondContact OD1-CA 3.47Å; Q1380-G1393 VanDerWaalsContact OE1-C 3.31Å; Q1380-G1393 PolarHBondContact OE1-O 3.3Å; L1381-G1393 CarbonylContact O-C 3.56Å; L1381-G1393 WeakPolarHBondContact O-CA 3.24Å
1394	F	49.5	Very low	49.8	Very low	16 Å²	16	48.7 Å²	48.7	7%	0.07	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	132.1	177.1	57	-84.9	0	0	0	112.4	Q1380 L1381 M1383 I1405 V1418	Q1380-F1394 CarbonylContact C-O 3.51Å; Q1380-F1394 VanDerWaalsContact CA-O 3.26Å; Q1380-F1394 WeakPolarHBondContact CA-O 3.37Å; L1381-F1394 HydrophobicContact CB-CD1 4.38Å; L1381-F1394 HydrophobicContact CB-CD2 4.18Å; L1381-F1394 HydrophobicContact CB-CE1 3.77Å; L1381-F1394 HydrophobicContact CB-CE2 3.55Å; L1381-F1394 HydrophobicContact CB-CZ 3.31Å; L1381-F1394 HydrophobicContact CD1-CE2 3.83Å; L1381-F1394 HydrophobicContact CD1-CZ 4.08Å; L1381-F1394 HydrophobicContact CG-CE2 4.3Å; L1381-F1394 HydrophobicContact CG-CZ 4.35Å; L1381-F1394 PolarHBondContact N-O 2.92Å; L1381-F1394 WeakPolarHBondContact O-CD1 3.25Å; L1381-F1394 WeakPolarHBondContact O-CE1 3.41Å; L1381-F1394 PolarHBondContact O-N 3.14Å; M1383-F1394 HydrophobicContact CB-CE1 4.45Å; M1383-F1394 HydrophobicContact CG-CE1 3.84Å; M1383-F1394 HydrophobicContact CG-CZ 3.89Å; M1383-F1394 HydrophobicContact SD-CE1 4.1Å; M1383-F1394 HydrophobicContact SD-CZ 3.79Å; F1394-I1405 HydrophobicContact CD1-CD1 3.61Å; F1394-I1405 HydrophobicContact CD1-CG1 3.59Å; F1394-I1405 HydrophobicContact CD1-CG2 4.36Å; F1394-I1405 HydrophobicContact CD2-CD1 4.15Å; F1394-I1405 HydrophobicContact CD2-CG1 4.44Å; F1394-I1405 HydrophobicContact CE1-CD1 3.24Å; F1394-I1405 HydrophobicContact CE1-CG1 3.78Å; F1394-I1405 HydrophobicContact CE1-CG2 4.3Å; F1394-I1405 HydrophobicContact CE2-CD1 3.82Å; F1394-I1405 HydrophobicContact CG-CD1 4.06Å; F1394-I1405 HydrophobicContact CG-CG1 3.96Å; F1394-I1405 HydrophobicContact CZ-CD1 3.35Å; F1394-I1405 HydrophobicContact CZ-CG1 4.27Å; F1394-V1418 HydrophobicContact CD2-CB 4.47Å; F1394-V1418 HydrophobicContact CD2-CG2 3.89Å; F1394-V1418 HydrophobicContact CE2-CG1 4.4Å; F1394-V1418 HydrophobicContact CE2-CG2 3.66Å; F1394-V1418 HydrophobicContact CZ-CG2 4.31Å
1395	P	48.8	Very low	50.5	Low	65 Å²	65	46.9 Å²	46.9	42%	0.422	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	138	-176.4	29.2	-34.5	0	0	0	113.5	F1379 Q1380	F1379-P1395 WeakPolarHBondContact O-CA 3.48Å; Q1380-P1395 HydrophobicContact CG-CB 4.2Å
1396	V	50.4	Low	51.1	Low	16 Å²	16	46.8 Å²	46.8	10%	0.097	30%	0.304	C	S	.	.	S	Bend	trans	-83.3	-27.7	179	166.7	0	0	0	0	112.9	L1381 K1429	L1381-V1396 HydrophobicContact CD1-CG2 3.4Å; L1381-V1396 VanDerWaalsContact CD1-CG2 3.4Å; L1381-V1396 HydrophobicContact CG-CG2 3.79Å; V1396-K1429 HydrophobicContact CG1-CD 4.47Å
1397	D	44.2	Very low	51.3	Low	40 Å²	40	45.4 Å²	45.4	21%	0.214	29%	0.29	C	S	.	.			trans	-83.1	-18	-161.9	-82.4	-63.9	0	0	0	115.9	G1376 V1399 K1429	G1376-D1397 WeakPolarHBondContact CA-OD2 3.46Å; G1376-D1397 VanDerWaalsContact O-CB 3.27Å; G1376-D1397 WeakPolarHBondContact O-CB 3.43Å; D1397-V1399 PolarHBondContact O-N 2.8Å; D1397-V1399 VanDerWaalsContact O-N 3.11Å; D1397-K1429 PolarHBondContact O-NZ 3.05Å; D1397-K1429 IonicContact OD1-NZ 2.69Å; D1397-K1429 PolarHBondContact OD1-NZ 3.47Å
1398	S	42.1	Very low	51.5	Low	44 Å²	44	42.5 Å²	42.5	31%	0.308	28%	0.277	S	S	.	.			trans	-60.2	105.7	-171.6	-57.1	0	0	0	0	113.9	G1400 S1401	S1398-G1400 VanDerWaalsContact C-N 3.27Å; S1398-G1400 PolarHBondContact O-N 2.88Å; S1398-S1401 WeakPolarHBondContact CB-OG 3.5Å
1399	V	37.8	Very low	51.5	Low	113 Å²	113	44.9 Å²	44.9	69%	0.685	29%	0.289	S	S	*	.	S	Bend	trans	-78.4	73.4	177.2	-171.2	0	0	0	0	110.7	D1397	D1397-V1399 PolarHBondContact O-N 2.8Å; D1397-V1399 VanDerWaalsContact O-N 3.11Å
1400	G	41.4	Very low	51.5	Low	76 Å²	76	48 Å²	48	78%	0.784	31%	0.306	S	S	*	.	S	Bend	trans	157	-34.4	170.6	0	0	0	0	0	115.4	S1398	S1398-G1400 VanDerWaalsContact C-N 3.27Å; S1398-G1400 PolarHBondContact O-N 2.88Å
1401	S	40.1	Very low	51.6	Low	58 Å²	58	50 Å²	50	41%	0.406	32%	0.322	S	S	.	.			trans	-89.6	112.8	178.4	60.4	0	0	0	0	110.8	S1398	S1398-S1401 WeakPolarHBondContact CB-OG 3.5Å
1402	A	52.4	Low	51.8	Low	19 Å²	19	51.7 Å²	51.7	16%	0.157	33%	0.334	C	S	.	.			trans	-73.4	158.9	154.3	0	0	0	0	0	109.1	V1418 D1509 S1510	A1402-V1418 WeakPolarHBondContact CA-O 3.31Å; A1402-V1418 VanDerWaalsContact CB-O 3.23Å; A1402-V1418 WeakPolarHBondContact CB-O 3.48Å; A1402-D1509 CarbonylContact C-O 3.49Å; A1402-D1509 CarbonylContact O-C 3.53Å; A1402-D1509 VanDerWaalsContact O-CB 3.25Å; A1402-D1509 WeakPolarHBondContact O-CB 3.4Å; A1402-S1510 VanDerWaalsContact CB-CA 3.5Å; A1402-S1510 VanDerWaalsContact CB-CB 3.44Å
1403	G	57	Low	52.2	Low	29 Å²	29	51 Å²	51	30%	0.299	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	148.9	-171.3	0	0	0	0	0	115.5	S1417 V1418 D1509	G1403-S1417 CarbonylContact O-C 3.47Å; G1403-S1417 WeakPolarHBondContact O-CA 3.43Å; G1403-V1418 PolarHBondContact N-O 3.34Å; G1403-V1418 VanDerWaalsContact N-O 3.13Å; G1403-V1418 PolarHBondContact O-N 2.88Å; G1403-D1509 CarbonylContact C-O 3.58Å; G1403-D1509 WeakPolarHBondContact CA-O 3.5Å
1404	R	62.9	Low	52.9	Low	111 Å²	111	51.9 Å²	51.9	42%	0.419	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	135.4	176.8	-173.9	-179.9	-162	173.7	7.9	112	F1416 F1436 Y1437	R1404-F1416 CarbonylContact C-O 3.53Å; R1404-F1416 VanDerWaalsContact CA-O 3.31Å; R1404-F1416 WeakPolarHBondContact CA-O 3.4Å; R1404-F1436 HydrophobicContact CB-CD2 3.84Å; R1404-F1436 HydrophobicContact CB-CE2 3.68Å; R1404-F1436 HydrophobicContact CG-CD2 3.49Å; R1404-F1436 VanDerWaalsContact CG-CD2 3.49Å; R1404-F1436 HydrophobicContact CG-CE2 3.54Å; R1404-F1436 HydrophobicContact CG-CG 4.02Å; R1404-F1436 HydrophobicContact CG-CZ 4.1Å; R1404-F1436 VanDerWaalsContact NE-CE1 3.34Å; R1404-Y1437 PolarHBondContact NH2-OH 2.9Å
1405	I	64.3	Low	53.8	Low	0 Å²	0	51.3 Å²	51.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.7	168.4	-52.1	171.5	0	0	0	107.9	M1383 F1394 Q1415 F1416 V1418	M1383-I1405 HydrophobicContact CB-CG2 4.42Å; M1383-I1405 HydrophobicContact CG-CD1 4.49Å; M1383-I1405 HydrophobicContact SD-CD1 3.51Å; M1383-I1405 VanDerWaalsContact SD-CD1 3.51Å; F1394-I1405 HydrophobicContact CD1-CD1 3.61Å; F1394-I1405 HydrophobicContact CD1-CG1 3.59Å; F1394-I1405 HydrophobicContact CD1-CG2 4.36Å; F1394-I1405 HydrophobicContact CD2-CD1 4.15Å; F1394-I1405 HydrophobicContact CD2-CG1 4.44Å; F1394-I1405 HydrophobicContact CE1-CD1 3.24Å; F1394-I1405 HydrophobicContact CE1-CG1 3.78Å; F1394-I1405 HydrophobicContact CE1-CG2 4.3Å; F1394-I1405 HydrophobicContact CE2-CD1 3.82Å; F1394-I1405 HydrophobicContact CG-CD1 4.06Å; F1394-I1405 HydrophobicContact CG-CG1 3.96Å; F1394-I1405 HydrophobicContact CZ-CD1 3.35Å; F1394-I1405 HydrophobicContact CZ-CG1 4.27Å; I1405-Q1415 CarbonylContact O-C 3.58Å; I1405-Q1415 VanDerWaalsContact O-CA 3.24Å; I1405-Q1415 WeakPolarHBondContact O-CA 3.08Å; I1405-F1416 HydrophobicContact CB-CB 4.22Å; I1405-F1416 HydrophobicContact CD1-CB 4.41Å; I1405-F1416 PolarHBondContact N-O 2.87Å; I1405-F1416 PolarHBondContact O-N 3.01Å; I1405-V1418 HydrophobicContact CD1-CG2 3.35Å; I1405-V1418 HydrophobicContact CG1-CG2 4Å
1406	T	66	Low	54.8	Low	41 Å²	41	49.2 Å²	49.2	25%	0.252	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.9	169.7	-54.5	0	0	0	0	110.4	S1391 T1408 F1414 Q1415	S1391-T1406 WeakPolarHBondContact CA-O 3.3Å; S1391-T1406 VanDerWaalsContact CB-O 3.24Å; S1391-T1406 WeakPolarHBondContact CB-O 3.18Å; T1406-T1408 HydrophobicContact CG2-CG2 4.04Å; T1406-F1414 CarbonylContact C-O 3.43Å; T1406-F1414 WeakPolarHBondContact CA-O 3.32Å; T1406-Q1415 HydrophobicContact CG2-CG 3.89Å
1407	C	60	Low	55.7	Low	0 Å²	0	48.7 Å²	48.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.3	171.9	-49	0	0	0	0	108.9	F1414	C1407-F1414 HydrophobicContact CB-CB 4.45Å; C1407-F1414 PolarHBondContact N-O 3.38Å; C1407-F1414 PolarHBondContact O-N 2.99Å
1408	T	54.7	Low	56.7	Low	62 Å²	62	47.1 Å²	47.1	38%	0.38	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	109.1	-162.9	53.6	0	0	0	0	113.1	G1389 T1406 F1413	G1389-T1408 WeakPolarHBondContact CA-O 3.48Å; G1389-T1408 PolarHBondContact N-O 2.69Å; G1389-T1408 PolarHBondContact O-N 2.65Å; T1406-T1408 HydrophobicContact CG2-CG2 4.04Å; T1408-F1413 HydrophobicContact CG2-CD1 3.78Å; T1408-F1413 HydrophobicContact CG2-CE1 3.92Å
1409	D	54.5	Low	57.5	Low	50 Å²	50	51.5 Å²	51.5	27%	0.267	31%	0.306	S	S	.	.			trans	-90.4	159	170.6	-152.4	-46.6	0	0	0	110.8	L1411 S1412 F1414	D1409-L1411 PolarHBondContact O-N 2.84Å; D1409-L1411 VanDerWaalsContact O-N 3.1Å; D1409-S1412 WeakPolarHBondContact CB-O 3.16Å; D1409-S1412 PolarHBondContact N-O 3.03Å; D1409-S1412 PolarHBondContact O-N 3.19Å; D1409-F1414 HydrophobicContact CB-CE2 4.27Å
1410	S	52.4	Low	58.4	Low	97 Å²	97	47.9 Å²	47.9	68%	0.678	29%	0.285	S	S	*	.	S	Bend	trans	-41.2	-40.9	167.1	60.9	0	0	0	0	113.3	K1462	S1410-K1462 PolarHBondContact O-NZ 3Å
1411	L	52.5	Low	58.6	Low	119 Å²	119	46.5 Å²	46.5	62%	0.623	26%	0.263	S	S	*	.	S	Bend	trans	-102	-37.8	179.9	-74.2	164.2	0	0	0	113.9	D1409 K1462	D1409-L1411 PolarHBondContact O-N 2.84Å; D1409-L1411 VanDerWaalsContact O-N 3.1Å; L1411-K1462 VanDerWaalsContact C-NZ 3.29Å; L1411-K1462 PolarHBondContact O-NZ 3.21Å
1412	S	54.6	Low	58.8	Low	41 Å²	41	48.7 Å²	48.7	29%	0.287	27%	0.269	S	S	.	.			trans	-131.2	148.5	-161	-57	0	0	0	0	114.8	D1409	D1409-S1412 WeakPolarHBondContact CB-O 3.16Å; D1409-S1412 PolarHBondContact N-O 3.03Å; D1409-S1412 PolarHBondContact O-N 3.19Å
1413	F	61.8	Low	58.2	Low	61 Å²	61	48.3 Å²	48.3	27%	0.268	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.3	175.8	-67.1	-89.7	0	0	0	110.9	T1408 Q1461 K1462	T1408-F1413 HydrophobicContact CG2-CD1 3.78Å; T1408-F1413 HydrophobicContact CG2-CE1 3.92Å; F1413-Q1461 HydrophobicContact CB-CG 4.42Å; F1413-Q1461 HydrophobicContact CD2-CB 4.11Å; F1413-K1462 HydrophobicContact CE2-CD 4.46Å; F1413-K1462 HydrophobicContact CE2-CG 3.94Å
1414	F	63.6	Low	57.2	Low	32 Å²	32	53.5 Å²	53.5	14%	0.14	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.5	177.8	-56.9	-78.3	0	0	0	110.2	T1406 C1407 D1409 F1416 W1458	T1406-F1414 CarbonylContact C-O 3.43Å; T1406-F1414 WeakPolarHBondContact CA-O 3.32Å; C1407-F1414 HydrophobicContact CB-CB 4.45Å; C1407-F1414 PolarHBondContact N-O 3.38Å; C1407-F1414 PolarHBondContact O-N 2.99Å; D1409-F1414 HydrophobicContact CB-CE2 4.27Å; F1414-F1416 HydrophobicContact CB-CE2 3.75Å; F1414-F1416 HydrophobicContact CB-CZ 4.2Å; F1414-W1458 HydrophobicContact CD1-CD2 4.24Å; F1414-W1458 HydrophobicContact CD1-CE3 4.47Å; F1414-W1458 HydrophobicContact CD1-CG 4.36Å
1415	Q	67.8	Low	55.8	Low	4 Å²	4	54.5 Å²	54.5	2%	0.019	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.7	-173.8	-65	-177.9	9.5	0	0	112.9	I1405 T1406 F1436 W1458 Q1461	I1405-Q1415 CarbonylContact O-C 3.58Å; I1405-Q1415 VanDerWaalsContact O-CA 3.24Å; I1405-Q1415 WeakPolarHBondContact O-CA 3.08Å; T1406-Q1415 HydrophobicContact CG2-CG 3.89Å; Q1415-F1436 HydrophobicContact CB-CB 3.67Å; Q1415-F1436 HydrophobicContact CB-CD1 4.43Å; Q1415-F1436 HydrophobicContact CB-CG 4.28Å; Q1415-F1436 WeakPolarHBondContact O-CB 3.29Å; Q1415-F1436 PolarHBondContact O-N 2.85Å; Q1415-W1458 VanDerWaalsContact N-NE1 3.14Å; Q1415-W1458 PolarHBondContact O-NE1 2.77Å; Q1415-Q1461 VanDerWaalsContact NE2-CD 3.28Å
1416	F	71.4	Confident	54.4	Low	20 Å²	20	56.7 Å²	56.7	9%	0.088	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	166.9	-173.7	-54.8	-93.1	0	0	0	111.8	V1385 R1404 I1405 F1414 I1433 T1434 W1458	V1385-F1416 HydrophobicContact CG2-CE2 3.75Å; V1385-F1416 HydrophobicContact CG2-CZ 3.82Å; R1404-F1416 CarbonylContact C-O 3.53Å; R1404-F1416 VanDerWaalsContact CA-O 3.31Å; R1404-F1416 WeakPolarHBondContact CA-O 3.4Å; I1405-F1416 HydrophobicContact CB-CB 4.22Å; I1405-F1416 HydrophobicContact CD1-CB 4.41Å; I1405-F1416 PolarHBondContact N-O 2.87Å; I1405-F1416 PolarHBondContact O-N 3.01Å; F1414-F1416 HydrophobicContact CB-CE2 3.75Å; F1414-F1416 HydrophobicContact CB-CZ 4.2Å; F1416-I1433 HydrophobicContact CB-CG2 4.13Å; F1416-I1433 HydrophobicContact CD1-CG2 4.27Å; F1416-I1433 HydrophobicContact CG-CG2 4.49Å; F1416-T1434 CarbonylContact C-O 3.56Å; F1416-T1434 VanDerWaalsContact CA-O 3.31Å; F1416-T1434 WeakPolarHBondContact CA-O 3.41Å; F1416-W1458 HydrophobicContact CD1-CZ2 4.3Å; F1416-W1458 HydrophobicContact CE1-CH2 4.33Å; F1416-W1458 AromaticContact CE1-CZ2 3.56Å; F1416-W1458 HydrophobicContact CE1-CZ2 3.56Å; F1416-W1458 AromaticContact CZ-CZ2 3.82Å; F1416-W1458 HydrophobicContact CZ-CZ2 3.82Å
1417	S	67.7	Low	52.9	Low	5 Å²	5	62 Å²	62	4%	0.035	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124.7	-175	155.3	0	0	0	0	107.5	G1403 I1433 T1434 S1510	G1403-S1417 CarbonylContact O-C 3.47Å; G1403-S1417 WeakPolarHBondContact O-CA 3.43Å; S1417-I1433 WeakPolarHBondContact O-CA 3.36Å; S1417-T1434 WeakPolarHBondContact CB-O 3.42Å; S1417-T1434 VanDerWaalsContact CB-OG1 3.28Å; S1417-T1434 WeakPolarHBondContact CB-OG1 3.43Å; S1417-T1434 PolarHBondContact N-O 3.37Å; S1417-T1434 PolarHBondContact O-N 3.17Å; S1417-T1434 PolarHBondContact OG-OG1 3.07Å; S1417-S1510 WeakPolarHBondContact CA-O 3.49Å; S1417-S1510 WeakPolarHBondContact CB-O 3.48Å; S1417-S1510 PolarHBondContact OG-O 2.8Å; S1417-S1510 VanDerWaalsContact OG-O 3.14Å
1418	V	65.3	Low	51.8	Low	8 Å²	8	63.6 Å²	63.6	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.6	173.7	-177.5	0	0	0	0	110.5	F1394 A1402 G1403 I1405 C1431 I1433	F1394-V1418 HydrophobicContact CD2-CB 4.47Å; F1394-V1418 HydrophobicContact CD2-CG2 3.89Å; F1394-V1418 HydrophobicContact CE2-CG1 4.4Å; F1394-V1418 HydrophobicContact CE2-CG2 3.66Å; F1394-V1418 HydrophobicContact CZ-CG2 4.31Å; A1402-V1418 WeakPolarHBondContact CA-O 3.31Å; A1402-V1418 VanDerWaalsContact CB-O 3.23Å; A1402-V1418 WeakPolarHBondContact CB-O 3.48Å; G1403-V1418 PolarHBondContact N-O 3.34Å; G1403-V1418 VanDerWaalsContact N-O 3.13Å; G1403-V1418 PolarHBondContact O-N 2.88Å; I1405-V1418 HydrophobicContact CD1-CG2 3.35Å; I1405-V1418 HydrophobicContact CG1-CG2 4Å; V1418-C1431 HydrophobicContact CG1-CB 4.43Å; V1418-I1433 HydrophobicContact CG2-CG1 4.45Å
1419	K	59.5	Low	51.1	Low	135 Å²	135	62.8 Å²	62.8	59%	0.587	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	100.3	173.9	-175	174.8	-178.7	175.9	0	109.1	T1432	K1419-T1432 PolarHBondContact N-O 3.33Å; K1419-T1432 PolarHBondContact O-N 3.17Å
1420	P	56.5	Low	50.8	Low	37 Å²	37	62.8 Å²	62.8	24%	0.24	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	138.6	173.6	29.2	-32.5	0	0	0	110.4
1421	S	46.1	Very low	50.6	Low	47 Å²	47	58.5 Å²	58.5	33%	0.329	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	159.8	173.2	60.2	0	0	0	0	109.9	K1429 I1430	S1421-K1429 CarbonylContact O-C 3.48Å; S1421-K1429 WeakPolarHBondContact O-CA 3.25Å; S1421-I1430 PolarHBondContact N-O 2.81Å; S1421-I1430 PolarHBondContact O-N 3.4Å; S1421-I1430 PolarHBondContact OG-O 3.26Å
1422	I	44.5	Very low	50.6	Low	105 Å²	105	54.4 Å²	54.4	54%	0.538	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.5	178.8	-65.2	171.8	0	0	0	107.5
1423	S	39	Very low	50.8	Low	11 Å²	11	53.3 Å²	53.3	8%	0.077	27%	0.273	C	S	.	.			trans	-67	151.2	176.1	77	0	0	0	0	110.7	F1425 G1426 T1428	S1423-F1425 PolarHBondContact O-N 3.11Å; S1423-G1426 PolarHBondContact O-N 2.84Å; S1423-T1428 PolarHBondContact N-O 2.98Å; S1423-T1428 WeakPolarHBondContact OG-CB 3.37Å; S1423-T1428 PolarHBondContact OG-N 3.04Å; S1423-T1428 PolarHBondContact OG-O 3.31Å; S1423-T1428 PolarHBondContact OG-OG1 3.13Å
1424	E	36.8	Very low	50.6	Low	138 Å²	138	51.9 Å²	51.9	65%	0.645	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-14	-177.1	-57.1	-174.8	111.1	0	0	113.3	I1105	I1105-E1424 HydrophobicContact CD1-CB 3.86Å; I1105-E1424 VanDerWaalsContact CD1-CD 3.49Å; I1105-E1424 HydrophobicContact CD1-CG 4.3Å; I1105-E1424 VanDerWaalsContact CD1-OE2 3.26Å; I1105-E1424 WeakPolarHBondContact CD1-OE2 3.22Å
1425	F	33.2	Very low	50.6	Low	131 Å²	131	51 Å²	51	58%	0.575	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-12.2	171.2	-69.1	-80.1	0	0	0	114	F1093 S1423 F1427	F1093-F1425 HydrophobicContact CE2-CE1 4.33Å; F1093-F1425 HydrophobicContact CE2-CZ 4.19Å; F1093-F1425 HydrophobicContact CZ-CZ 4.19Å; S1423-F1425 PolarHBondContact O-N 3.11Å; F1425-F1427 HydrophobicContact CB-CD2 4.45Å; F1425-F1427 WeakPolarHBondContact O-CD2 3.17Å; F1425-F1427 PolarHBondContact O-N 2.8Å
1426	G	35.2	Very low	50.7	Low	47 Å²	47	51 Å²	51	49%	0.485	27%	0.267	S	S	.	.	S	Bend	trans	71	-22.8	-172.6	0	0	0	0	0	114.9	S1423 T1428	S1423-G1426 PolarHBondContact O-N 2.84Å; G1426-T1428 VanDerWaalsContact C-N 3.27Å; G1426-T1428 PolarHBondContact O-N 3.32Å
1427	F	33.5	Very low	50.7	Low	153 Å²	153	50.1 Å²	50.1	67%	0.671	26%	0.263	S	S	*	.	S	Bend	trans	-83.7	23.7	179.5	-61.4	-69.6	0	0	0	114.5	P1371 F1425	P1371-F1427 WeakPolarHBondContact CD-O 3.21Å; F1425-F1427 HydrophobicContact CB-CD2 4.45Å; F1425-F1427 WeakPolarHBondContact O-CD2 3.17Å; F1425-F1427 PolarHBondContact O-N 2.8Å
1428	T	37.4	Very low	50.8	Low	32 Å²	32	51.3 Å²	51.3	20%	0.196	27%	0.268	C	S	.	.			trans	-162.1	149.7	178.6	-11.1	0	0	0	0	110.9	P1367 A1368 S1423 G1426	P1367-T1428 HydrophobicContact CB-CG2 4.41Å; A1368-T1428 WeakPolarHBondContact O-CG2 3.3Å; S1423-T1428 PolarHBondContact N-O 2.98Å; S1423-T1428 WeakPolarHBondContact OG-CB 3.37Å; S1423-T1428 PolarHBondContact OG-N 3.04Å; S1423-T1428 PolarHBondContact OG-O 3.31Å; S1423-T1428 PolarHBondContact OG-OG1 3.13Å; G1426-T1428 VanDerWaalsContact C-N 3.27Å; G1426-T1428 PolarHBondContact O-N 3.32Å
1429	K	39.9	Very low	50.7	Low	46 Å²	46	53.2 Å²	53.2	20%	0.2	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.9	159	-74.9	-176.1	178.6	176.8	0	109.2	A1368 V1396 D1397 S1421	A1368-K1429 HydrophobicContact CB-CB 4.37Å; A1368-K1429 VanDerWaalsContact CB-O 3.31Å; A1368-K1429 WeakPolarHBondContact CB-O 3.23Å; A1368-K1429 PolarHBondContact N-O 2.88Å; V1396-K1429 HydrophobicContact CG1-CD 4.47Å; D1397-K1429 PolarHBondContact O-NZ 3.05Å; D1397-K1429 IonicContact OD1-NZ 2.69Å; D1397-K1429 PolarHBondContact OD1-NZ 3.47Å; S1421-K1429 CarbonylContact O-C 3.48Å; S1421-K1429 WeakPolarHBondContact O-CA 3.25Å
1430	I	47.4	Very low	50.8	Low	49 Å²	49	51 Å²	51	25%	0.251	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	110.8	176.8	-59.7	174.8	0	0	0	106.9	V1365 S1421	V1365-I1430 HydrophobicContact CG1-CG2 3.6Å; S1421-I1430 PolarHBondContact N-O 2.81Å; S1421-I1430 PolarHBondContact O-N 3.4Å; S1421-I1430 PolarHBondContact OG-O 3.26Å
1431	C	49.5	Very low	51.1	Low	8 Å²	8	52.7 Å²	52.7	5%	0.054	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	120.8	170.7	-71.6	0	0	0	0	109.3	C1366 V1418	C1366-C1431 PolarHBondContact N-O 3.07Å; C1366-C1431 PolarHBondContact O-N 2.91Å; V1418-C1431 HydrophobicContact CG1-CB 4.43Å
1432	T	52.4	Low	51.7	Low	32 Å²	32	54.6 Å²	54.6	20%	0.196	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.4	169.1	-51.8	0	0	0	0	108.8	T1363 K1419 T1434	T1363-T1432 HydrophobicContact CG2-CG2 3.51Å; K1419-T1432 PolarHBondContact N-O 3.33Å; K1419-T1432 PolarHBondContact O-N 3.17Å; T1432-T1434 HydrophobicContact CG2-CG2 4.3Å
1433	I	57.9	Low	52.2	Low	18 Å²	18	51.1 Å²	51.1	9%	0.092	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.3	177.6	-53.2	171.6	0	0	0	108.8	Y1364 M1383 F1416 S1417 V1418	Y1364-I1433 PolarHBondContact O-N 3.23Å; Y1364-I1433 VanDerWaalsContact O-N 3.12Å; M1383-I1433 HydrophobicContact CE-CD1 4.18Å; M1383-I1433 HydrophobicContact CE-CG2 4.37Å; M1383-I1433 HydrophobicContact SD-CD1 3.9Å; F1416-I1433 HydrophobicContact CB-CG2 4.13Å; F1416-I1433 HydrophobicContact CD1-CG2 4.27Å; F1416-I1433 HydrophobicContact CG-CG2 4.49Å; S1417-I1433 WeakPolarHBondContact O-CA 3.36Å; V1418-I1433 HydrophobicContact CG2-CG1 4.45Å
1434	T	58.5	Low	52.7	Low	31 Å²	31	58.9 Å²	58.9	19%	0.19	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	163.6	178.5	53.4	0	0	0	0	110.9	T1363 F1416 S1417 T1432	T1363-T1434 HydrophobicContact CG2-CG2 4.02Å; F1416-T1434 CarbonylContact C-O 3.56Å; F1416-T1434 VanDerWaalsContact CA-O 3.31Å; F1416-T1434 WeakPolarHBondContact CA-O 3.41Å; S1417-T1434 WeakPolarHBondContact CB-O 3.42Å; S1417-T1434 VanDerWaalsContact CB-OG1 3.28Å; S1417-T1434 WeakPolarHBondContact CB-OG1 3.43Å; S1417-T1434 PolarHBondContact N-O 3.37Å; S1417-T1434 PolarHBondContact O-N 3.17Å; S1417-T1434 PolarHBondContact OG-OG1 3.07Å; T1432-T1434 HydrophobicContact CG2-CG2 4.3Å
1435	P	64	Low	53.2	Low	13 Å²	13	59.1 Å²	59.1	8%	0.084	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	149.6	170.5	-24.6	37.5	0	0	0	112.3	P1361 Q1438 W1458	P1361-P1435 HydrophobicContact CB-CG 4.04Å; P1361-P1435 HydrophobicContact CG-CG 3.52Å; P1435-Q1438 PolarHBondContact O-NE2 2.93Å; P1435-W1458 HydrophobicContact CB-CZ2 4.15Å; P1435-W1458 HydrophobicContact CG-CZ2 4.2Å
1436	F	68.6	Low	53.5	Low	4 Å²	4	62.6 Å²	62.6	2%	0.018	32%	0.318	C	S	.	.	S	Bend	trans	-77	-43.7	-177	-179.4	-100.3	0	0	0	113.7	R1404 Q1415 S1510 G1511 V1512	R1404-F1436 HydrophobicContact CB-CD2 3.84Å; R1404-F1436 HydrophobicContact CB-CE2 3.68Å; R1404-F1436 HydrophobicContact CG-CD2 3.49Å; R1404-F1436 VanDerWaalsContact CG-CD2 3.49Å; R1404-F1436 HydrophobicContact CG-CE2 3.54Å; R1404-F1436 HydrophobicContact CG-CG 4.02Å; R1404-F1436 HydrophobicContact CG-CZ 4.1Å; R1404-F1436 VanDerWaalsContact NE-CE1 3.34Å; Q1415-F1436 HydrophobicContact CB-CB 3.67Å; Q1415-F1436 HydrophobicContact CB-CD1 4.43Å; Q1415-F1436 HydrophobicContact CB-CG 4.28Å; Q1415-F1436 WeakPolarHBondContact O-CB 3.29Å; Q1415-F1436 PolarHBondContact O-N 2.85Å; F1436-S1510 WeakPolarHBondContact CD2-O 3.49Å; F1436-G1511 VanDerWaalsContact CE2-CA 3.5Å; F1436-G1511 CarbonylContact O-C 3.48Å; F1436-G1511 VanDerWaalsContact O-CA 3.32Å; F1436-G1511 WeakPolarHBondContact O-CA 3.45Å; F1436-V1512 HydrophobicContact CD1-CG2 4.4Å; F1436-V1512 HydrophobicContact CE1-CB 4.06Å; F1436-V1512 HydrophobicContact CE1-CG2 3.52Å; F1436-V1512 HydrophobicContact CZ-CG2 3.87Å; F1436-V1512 PolarHBondContact O-N 3.15Å
1437	Y	71.8	Confident	53.6	Low	2 Å²	2	67.7 Å²	67.7	1%	0.008	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.3	174.4	-63	-80.8	0	0	0	110	R1404 G1456 F1457 P1459 Q1461 F1483 V1512	R1404-Y1437 PolarHBondContact NH2-OH 2.9Å; Y1437-G1456 VanDerWaalsContact O-CA 3.27Å; Y1437-G1456 WeakPolarHBondContact O-CA 3.3Å; Y1437-F1457 HydrophobicContact CD1-CZ 4.35Å; Y1437-F1457 HydrophobicContact CG-CE2 4.39Å; Y1437-F1457 HydrophobicContact CG-CZ 4.22Å; Y1437-F1457 PolarHBondContact O-N 3.42Å; Y1437-F1457 VanDerWaalsContact O-N 3.11Å; Y1437-P1459 VanDerWaalsContact CD2-CD 3.41Å; Y1437-P1459 HydrophobicContact CD2-CG 3.88Å; Y1437-P1459 HydrophobicContact CE2-CG 3.68Å; Y1437-P1459 HydrophobicContact CG-CG 4.38Å; Y1437-Q1461 PolarHBondContact OH-NE2 3.48Å; Y1437-Q1461 VanDerWaalsContact OH-NE2 3.11Å; Y1437-F1483 HydrophobicContact CD1-CD2 4.17Å; Y1437-F1483 AromaticContact CE1-CD2 3.71Å; Y1437-F1483 HydrophobicContact CE1-CD2 3.71Å; Y1437-F1483 HydrophobicContact CE1-CE2 4.18Å; Y1437-F1483 WeakPolarHBondContact CE1-O 3.35Å; Y1437-V1512 HydrophobicContact CD1-CB 3.65Å; Y1437-V1512 HydrophobicContact CD1-CG1 3.62Å; Y1437-V1512 HydrophobicContact CD1-CG2 4.08Å; Y1437-V1512 HydrophobicContact CE1-CB 4.11Å; Y1437-V1512 HydrophobicContact CE1-CG1 4.19Å; Y1437-V1512 HydrophobicContact CE1-CG2 4.01Å
1438	Q	68.9	Low	53.6	Low	30 Å²	30	64 Å²	64	14%	0.14	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.8	-177.9	-60.3	-178	19.4	0	0	110.8	P1435 C1454 V1455 V1512 T1513 I1514	P1435-Q1438 PolarHBondContact O-NE2 2.93Å; Q1438-C1454 HydrophobicContact CB-CB 4.36Å; Q1438-C1454 PolarHBondContact OE1-SG 3.3Å; Q1438-V1455 WeakPolarHBondContact CA-O 2.98Å; Q1438-V1512 PolarHBondContact N-O 3.2Å; Q1438-T1513 WeakPolarHBondContact O-CA 3.29Å; Q1438-I1514 PolarHBondContact O-N 3.42Å
1439	L	64.1	Low	53.5	Low	48 Å²	48	70.3 Å²	70.3	25%	0.251	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.9	174	-80.8	156.6	0	0	0	110.1	F1451 V1455 F1457 I1514 F1516	L1439-F1451 HydrophobicContact CB-CD1 4.36Å; L1439-F1451 HydrophobicContact CB-CE1 3.87Å; L1439-F1451 HydrophobicContact CD1-CE1 4.32Å; L1439-V1455 PolarHBondContact N-O 3.11Å; L1439-V1455 VanDerWaalsContact N-O 3.17Å; L1439-F1457 HydrophobicContact CD1-CD1 4.01Å; L1439-F1457 HydrophobicContact CD1-CE1 4.09Å; L1439-F1457 HydrophobicContact CG-CD1 4.17Å; L1439-F1457 HydrophobicContact CG-CE1 3.88Å; L1439-I1514 HydrophobicContact CD2-CB 4.03Å; L1439-I1514 HydrophobicContact CD2-CD1 4.05Å; L1439-I1514 HydrophobicContact CD2-CG2 4.23Å; L1439-F1516 HydrophobicContact CD2-CE2 4.13Å; L1439-F1516 HydrophobicContact CD2-CZ 4.23Å
1440	K	62.1	Low	53	Low	90 Å²	90	73.9 Å²	73.9	39%	0.391	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	108.3	-177.7	-167.9	-172.1	-176	-159.8	0	112.3	M1442 T1513 I1514 A1515	K1440-M1442 HydrophobicContact CD-CG 4.33Å; K1440-M1442 HydrophobicContact CD-SD 3.88Å; K1440-M1442 WeakPolarHBondContact CE-SD 2.85Å; K1440-M1442 HydrophobicContact CG-CG 4.39Å; K1440-M1442 HydrophobicContact CG-SD 4.29Å; K1440-M1442 PolarHBondContact NZ-SD 3.17Å; K1440-M1442 PolarHBondContact O-N 2.66Å; K1440-T1513 HydrophobicContact CB-CG2 3.59Å; K1440-T1513 HydrophobicContact CD-CG2 3.99Å; K1440-T1513 HydrophobicContact CG-CG2 4.46Å; K1440-I1514 PolarHBondContact N-O 2.75Å; K1440-A1515 WeakPolarHBondContact O-CA 3.49Å
1441	N	61.9	Low	52.4	Low	72 Å²	72	75.5 Å²	75.5	39%	0.385	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.8	171.3	-169.3	-1.3	0	0	0	110.2	G1443	N1441-G1443 PolarHBondContact OD1-N 3.35Å
1442	M	58.1	Low	51.6	Low	86 Å²	86	84.4 Å²	84.4	42%	0.424	42%	0.416	S	S	.	.			trans	-119.9	0.1	175.4	-64	-76.4	-69.7	0	0	112	K1440 A1515 F1516 Y1517	K1440-M1442 HydrophobicContact CD-CG 4.33Å; K1440-M1442 HydrophobicContact CD-SD 3.88Å; K1440-M1442 WeakPolarHBondContact CE-SD 2.85Å; K1440-M1442 HydrophobicContact CG-CG 4.39Å; K1440-M1442 HydrophobicContact CG-SD 4.29Å; K1440-M1442 PolarHBondContact NZ-SD 3.17Å; K1440-M1442 PolarHBondContact O-N 2.66Å; M1442-A1515 HydrophobicContact CG-CB 4.1Å; M1442-F1516 CarbonylContact C-O 3.53Å; M1442-F1516 WeakPolarHBondContact CB-O 3.28Å; M1442-Y1517 HydrophobicContact CB-CE2 4.48Å; M1442-Y1517 HydrophobicContact CG-CE2 4.46Å
1443	G	55.5	Low	50.9	Low	33 Å²	33	90.9 Å²	90.9	34%	0.34	44%	0.442	S	S	.	.	S	Bend	trans	-74.1	167.5	178.5	0	0	0	0	0	113.2	N1441 F1516	N1441-G1443 PolarHBondContact OD1-N 3.35Å; G1443-F1516 PolarHBondContact N-O 3.08Å
1444	K	49.6	Very low	50.2	Low	173 Å²	173	93.4 Å²	93.4	75%	0.752	46%	0.46	S	S	*	.	S	Bend	trans	-85.2	-9.9	-174.1	-56.5	-176.4	-173.9	90.7	0	114.1	D1518	K1444-D1518 IonicContact NZ-OD2 2.6Å; K1444-D1518 PolarHBondContact NZ-OD2 3.15Å
1445	E	47.1	Very low	50	Low	144 Å²	144	94.7 Å²	94.7	67%	0.673	47%	0.468	S	S	*	.			trans	-98.8	135.6	-174.5	-62.1	-166.5	136.9	0	0	112.7	Q1447	E1445-Q1447 PolarHBondContact O-N 3.23Å
1446	K	39.4	Very low	49.6	Very low	203 Å²	203	95.1 Å²	95.1	88%	0.883	47%	0.474	S	S	*	.			trans	-93.6	20.2	-166.4	-60	-175.1	176.1	-179.3	0	114.9	V1448	K1446-V1448 VanDerWaalsContact C-N 3.34Å; K1446-V1448 PolarHBondContact O-N 2.68Å
1447	Q	36.9	Very low	49.5	Very low	155 Å²	155	97.3 Å²	97.3	72%	0.724	48%	0.484	S	S	*	.			trans	-91.8	31.8	-166.9	-65.6	-168.5	-22	0	0	115.1	E1445	E1445-Q1447 PolarHBondContact O-N 3.23Å
1448	V	35.1	Very low	49.3	Very low	75 Å²	75	100.1 Å²	100.1	46%	0.455	50%	0.495	S	S	.	.	S	Bend	trans	-135.9	107.2	170.9	-177.4	0	0	0	0	108.1	K1446 F1451	K1446-V1448 VanDerWaalsContact C-N 3.34Å; K1446-V1448 PolarHBondContact O-N 2.68Å; V1448-F1451 HydrophobicContact CG1-CD2 4.08Å
1449	E	33.6	Very low	48.9	Very low	165 Å²	165	99.7 Å²	99.7	77%	0.771	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	152.9	-176.3	-64.9	-158.3	137.5	0	0	112.5	F1451	E1449-F1451 VanDerWaalsContact C-N 3.3Å; E1449-F1451 PolarHBondContact O-N 3.06Å; E1449-F1451 VanDerWaalsContact O-N 3.12Å
1450	T	30.3	Very low	48.7	Very low	121 Å²	121	100.8 Å²	100.8	74%	0.742	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	-1.8	175	63	0	0	0	0	119.6	F1452	T1450-F1452 PolarHBondContact O-N 3.24Å; T1450-F1452 VanDerWaalsContact O-N 3.11Å
1451	F	35	Very low	48.3	Very low	83 Å²	83	99 Å²	99	36%	0.364	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	43.2	170.8	-82	-108.5	0	0	0	114.2	L1439 V1448 E1449 V1455	L1439-F1451 HydrophobicContact CB-CD1 4.36Å; L1439-F1451 HydrophobicContact CB-CE1 3.87Å; L1439-F1451 HydrophobicContact CD1-CE1 4.32Å; V1448-F1451 HydrophobicContact CG1-CD2 4.08Å; E1449-F1451 VanDerWaalsContact C-N 3.3Å; E1449-F1451 PolarHBondContact O-N 3.06Å; E1449-F1451 VanDerWaalsContact O-N 3.12Å; F1451-V1455 HydrophobicContact CD1-CB 4.1Å; F1451-V1455 HydrophobicContact CD1-CG2 3.69Å; F1451-V1455 HydrophobicContact CD2-CG2 4.49Å; F1451-V1455 HydrophobicContact CE1-CB 3.52Å; F1451-V1455 HydrophobicContact CE1-CG1 4.3Å; F1451-V1455 HydrophobicContact CE1-CG2 3.5Å; F1451-V1455 VanDerWaalsContact CE1-CG2 3.5Å; F1451-V1455 HydrophobicContact CE2-CG2 4.31Å; F1451-V1455 HydrophobicContact CG-CG2 4.21Å; F1451-V1455 HydrophobicContact CZ-CB 3.99Å; F1451-V1455 HydrophobicContact CZ-CG1 4.32Å; F1451-V1455 HydrophobicContact CZ-CG2 3.83Å
1452	F	32.9	Very low	47.7	Very low	194 Å²	194	101 Å²	101	85%	0.851	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-11.9	168.3	-88.4	-74.9	0	0	0	113.4	T1450	T1450-F1452 PolarHBondContact O-N 3.24Å; T1450-F1452 VanDerWaalsContact O-N 3.11Å
1453	F	38.3	Very low	47.4	Very low	169 Å²	169	105 Å²	105	74%	0.741	51%	0.509	S	S	*	.	S	Bend	trans	-124.9	148.7	-178.8	-52.4	-82.3	0	0	0	108.6	V1455	F1453-V1455 PolarHBondContact O-N 3.17Å
1454	C	43	Very low	47	Very low	70 Å²	70	110.2 Å²	110.2	47%	0.473	53%	0.529	S	S	.	.			trans	-62.6	110.9	173.9	-72.7	0	0	0	0	109.9	Q1438	Q1438-C1454 HydrophobicContact CB-CB 4.36Å; Q1438-C1454 PolarHBondContact OE1-SG 3.3Å
1455	V	54.3	Low	47.5	Very low	59 Å²	59	104.4 Å²	104.4	36%	0.358	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.9	172.9	-176.9	0	0	0	0	108.6	Q1438 L1439 F1451 F1453	Q1438-V1455 WeakPolarHBondContact CA-O 2.98Å; L1439-V1455 PolarHBondContact N-O 3.11Å; L1439-V1455 VanDerWaalsContact N-O 3.17Å; F1451-V1455 HydrophobicContact CD1-CB 4.1Å; F1451-V1455 HydrophobicContact CD1-CG2 3.69Å; F1451-V1455 HydrophobicContact CD2-CG2 4.49Å; F1451-V1455 HydrophobicContact CE1-CB 3.52Å; F1451-V1455 HydrophobicContact CE1-CG1 4.3Å; F1451-V1455 HydrophobicContact CE1-CG2 3.5Å; F1451-V1455 VanDerWaalsContact CE1-CG2 3.5Å; F1451-V1455 HydrophobicContact CE2-CG2 4.31Å; F1451-V1455 HydrophobicContact CG-CG2 4.21Å; F1451-V1455 HydrophobicContact CZ-CB 3.99Å; F1451-V1455 HydrophobicContact CZ-CG1 4.32Å; F1451-V1455 HydrophobicContact CZ-CG2 3.83Å; F1453-V1455 PolarHBondContact O-N 3.17Å
1456	G	55.9	Low	48.3	Very low	21 Å²	21	102.6 Å²	102.6	22%	0.216	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	147.9	175.5	0	0	0	0	0	112.8	Y1437	Y1437-G1456 VanDerWaalsContact O-CA 3.27Å; Y1437-G1456 WeakPolarHBondContact O-CA 3.3Å
1457	F	65.5	Low	49.4	Very low	50 Å²	50	94.2 Å²	94.2	22%	0.219	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	164.2	174.3	70.9	-81.6	0	0	0	112.3	Y1437 L1439 P1459 I1514	Y1437-F1457 HydrophobicContact CD1-CZ 4.35Å; Y1437-F1457 HydrophobicContact CG-CE2 4.39Å; Y1437-F1457 HydrophobicContact CG-CZ 4.22Å; Y1437-F1457 PolarHBondContact O-N 3.42Å; Y1437-F1457 VanDerWaalsContact O-N 3.11Å; L1439-F1457 HydrophobicContact CD1-CD1 4.01Å; L1439-F1457 HydrophobicContact CD1-CE1 4.09Å; L1439-F1457 HydrophobicContact CG-CD1 4.17Å; L1439-F1457 HydrophobicContact CG-CE1 3.88Å; F1457-P1459 HydrophobicContact CD2-CB 4.34Å; F1457-P1459 HydrophobicContact CD2-CG 4.22Å; F1457-P1459 HydrophobicContact CE2-CB 4.12Å; F1457-P1459 HydrophobicContact CE2-CG 3.88Å; F1457-I1514 HydrophobicContact CE1-CD1 4.08Å; F1457-I1514 HydrophobicContact CZ-CD1 3.75Å
1458	W	67.5	Low	50.9	Low	62 Å²	62	90.7 Å²	90.7	24%	0.235	45%	0.448	C	S	.	.			trans	-129.5	101.9	175.6	-64.2	-67.5	0	0	0	110.2	V1358 P1361 F1414 Q1415 F1416 P1435	V1358-W1458 HydrophobicContact CG1-CE3 4.31Å; V1358-W1458 HydrophobicContact CG1-CZ3 3.84Å; P1361-W1458 HydrophobicContact CB-CH2 3.82Å; P1361-W1458 HydrophobicContact CB-CZ2 4.47Å; P1361-W1458 HydrophobicContact CG-CH2 3.54Å; P1361-W1458 HydrophobicContact CG-CZ2 4.28Å; P1361-W1458 HydrophobicContact CG-CZ3 4.2Å; F1414-W1458 HydrophobicContact CD1-CD2 4.24Å; F1414-W1458 HydrophobicContact CD1-CE3 4.47Å; F1414-W1458 HydrophobicContact CD1-CG 4.36Å; Q1415-W1458 VanDerWaalsContact N-NE1 3.14Å; Q1415-W1458 PolarHBondContact O-NE1 2.77Å; F1416-W1458 HydrophobicContact CD1-CZ2 4.3Å; F1416-W1458 HydrophobicContact CE1-CH2 4.33Å; F1416-W1458 AromaticContact CE1-CZ2 3.56Å; F1416-W1458 HydrophobicContact CE1-CZ2 3.56Å; F1416-W1458 AromaticContact CZ-CZ2 3.82Å; F1416-W1458 HydrophobicContact CZ-CZ2 3.82Å; P1435-W1458 HydrophobicContact CB-CZ2 4.15Å; P1435-W1458 HydrophobicContact CG-CZ2 4.2Å
1459	P	61.4	Low	52.2	Low	20 Å²	20	88.8 Å²	88.8	13%	0.13	44%	0.437	C	S	.	.			trans	-78.5	140.8	178.9	29.6	-29.9	0	0	0	111.3	Y1437 F1457 Q1461 F1483	Y1437-P1459 VanDerWaalsContact CD2-CD 3.41Å; Y1437-P1459 HydrophobicContact CD2-CG 3.88Å; Y1437-P1459 HydrophobicContact CE2-CG 3.68Å; Y1437-P1459 HydrophobicContact CG-CG 4.38Å; F1457-P1459 HydrophobicContact CD2-CB 4.34Å; F1457-P1459 HydrophobicContact CD2-CG 4.22Å; F1457-P1459 HydrophobicContact CE2-CB 4.12Å; F1457-P1459 HydrophobicContact CE2-CG 3.88Å; P1459-Q1461 PolarHBondContact O-N 3.06Å; P1459-F1483 HydrophobicContact CB-CE1 4.48Å; P1459-F1483 HydrophobicContact CB-CE2 3.62Å; P1459-F1483 HydrophobicContact CB-CZ 3.5Å; P1459-F1483 VanDerWaalsContact CB-CZ 3.5Å; P1459-F1483 HydrophobicContact CG-CD2 4.08Å; P1459-F1483 HydrophobicContact CG-CE2 3.23Å; P1459-F1483 HydrophobicContact CG-CZ 3.72Å
1460	D	59.4	Low	53.6	Low	71 Å²	71	87.7 Å²	87.7	38%	0.38	43%	0.426	S	S	.	.			trans	-67.1	102.7	174.3	174.3	18.9	0	0	0	110.8	K1462 R1463	D1460-K1462 PolarHBondContact O-N 2.78Å; D1460-K1462 VanDerWaalsContact O-N 3.15Å; D1460-K1462 VanDerWaalsContact OD1-CB 3.28Å; D1460-K1462 WeakPolarHBondContact OD1-CB 3.22Å; D1460-K1462 PolarHBondContact OD1-N 3.36Å; D1460-R1463 PolarHBondContact O-N 3.4Å
1461	Q	53.9	Low	54.8	Low	54 Å²	54	86 Å²	86	25%	0.252	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-2.3	-178.5	-53.2	-159.9	-56	0	0	114.3	F1413 Q1415 Y1437 P1459 R1463 L1465	F1413-Q1461 HydrophobicContact CB-CG 4.42Å; F1413-Q1461 HydrophobicContact CD2-CB 4.11Å; Q1415-Q1461 VanDerWaalsContact NE2-CD 3.28Å; Y1437-Q1461 PolarHBondContact OH-NE2 3.48Å; Y1437-Q1461 VanDerWaalsContact OH-NE2 3.11Å; P1459-Q1461 PolarHBondContact O-N 3.06Å; Q1461-R1463 VanDerWaalsContact C-N 3.27Å; Q1461-L1465 HydrophobicContact CB-CD2 4.03Å; Q1461-L1465 HydrophobicContact CG-CD2 3.93Å
1462	K	49.9	Very low	55.3	Low	113 Å²	113	89.6 Å²	89.6	49%	0.491	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-3.9	175.4	-60.9	173.2	176.5	162.6	0	113.3	S1410 L1411 F1413 D1460	S1410-K1462 PolarHBondContact O-NZ 3Å; L1411-K1462 VanDerWaalsContact C-NZ 3.29Å; L1411-K1462 PolarHBondContact O-NZ 3.21Å; F1413-K1462 HydrophobicContact CE2-CD 4.46Å; F1413-K1462 HydrophobicContact CE2-CG 3.94Å; D1460-K1462 PolarHBondContact O-N 2.78Å; D1460-K1462 VanDerWaalsContact O-N 3.15Å; D1460-K1462 VanDerWaalsContact OD1-CB 3.28Å; D1460-K1462 WeakPolarHBondContact OD1-CB 3.22Å; D1460-K1462 PolarHBondContact OD1-N 3.36Å
1463	R	50.2	Low	56.2	Low	169 Å²	169	84.5 Å²	84.5	64%	0.638	43%	0.431	S	S	*	.	S	Bend	trans	-126.5	154.3	178.2	-65.2	-178.4	175.2	-157.9	-3.8	110.1	D1460 Q1461 L1465	D1460-R1463 PolarHBondContact O-N 3.4Å; Q1461-R1463 VanDerWaalsContact C-N 3.27Å; R1463-L1465 PolarHBondContact O-N 3.38Å; R1463-L1465 VanDerWaalsContact O-N 3.12Å
1464	N	48.3	Very low	57	Low	144 Å²	144	79.2 Å²	79.2	77%	0.77	41%	0.413	S	S	*	.			trans	-45.8	117.8	-173.7	-64	-4.3	0	0	0	111.9	F1466	N1464-F1466 HydrophobicContact CB-CD2 3.81Å; N1464-F1466 HydrophobicContact CB-CE2 3.99Å; N1464-F1466 PolarHBondContact O-N 3.12Å
1465	L	60	Low	57.9	Low	51 Å²	51	84.6 Å²	84.6	27%	0.267	43%	0.431	S	S	.	.			trans	-77.1	44.8	-165.4	-71.6	148.2	0	0	0	114	Q1461 R1463 P1482 F1483 T1484	Q1461-L1465 HydrophobicContact CB-CD2 4.03Å; Q1461-L1465 HydrophobicContact CG-CD2 3.93Å; R1463-L1465 PolarHBondContact O-N 3.38Å; R1463-L1465 VanDerWaalsContact O-N 3.12Å; L1465-P1482 WeakPolarHBondContact O-CA 3.32Å; L1465-F1483 HydrophobicContact CB-CE1 4.35Å; L1465-F1483 HydrophobicContact CB-CE2 4.49Å; L1465-F1483 HydrophobicContact CB-CZ 4.03Å; L1465-F1483 HydrophobicContact CD2-CE2 3.73Å; L1465-F1483 HydrophobicContact CD2-CZ 3.58Å; L1465-F1483 HydrophobicContact CG-CZ 4.39Å; L1465-F1483 VanDerWaalsContact O-CD1 3.23Å; L1465-F1483 WeakPolarHBondContact O-CD1 2.89Å; L1465-F1483 WeakPolarHBondContact O-CE1 3.12Å; L1465-F1483 PolarHBondContact O-N 2.92Å; L1465-T1484 HydrophobicContact CB-CG2 4.1Å; L1465-T1484 HydrophobicContact CD1-CG2 4.1Å; L1465-T1484 HydrophobicContact CD2-CG2 4.07Å; L1465-T1484 HydrophobicContact CG-CG2 4.31Å
1466	F	62.8	Low	57.9	Low	105 Å²	105	84.9 Å²	84.9	46%	0.461	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.8	175	-58.3	-87.4	0	0	0	111.3	N1464 P1480 F1481	N1464-F1466 HydrophobicContact CB-CD2 3.81Å; N1464-F1466 HydrophobicContact CB-CE2 3.99Å; N1464-F1466 PolarHBondContact O-N 3.12Å; F1466-P1480 HydrophobicContact CB-CB 3.52Å; F1466-P1480 HydrophobicContact CD1-CB 3.98Å; F1466-P1480 WeakPolarHBondContact CD1-O 3.2Å; F1466-P1480 HydrophobicContact CG-CB 3.8Å; F1466-F1481 CarbonylContact C-O 3.52Å; F1466-F1481 VanDerWaalsContact CA-O 3.31Å; F1466-F1481 WeakPolarHBondContact CA-O 3.31Å
1467	C	64.3	Low	57.9	Low	28 Å²	28	88.7 Å²	88.7	19%	0.189	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.8	164.9	-170.2	0	0	0	0	108.1	P1480 F1481 F1483	C1467-P1480 WeakPolarHBondContact O-CA 3.37Å; C1467-F1481 HydrophobicContact CB-CD2 4.22Å; C1467-F1481 HydrophobicContact CB-CE1 4.05Å; C1467-F1481 HydrophobicContact CB-CE2 3.66Å; C1467-F1481 HydrophobicContact CB-CZ 3.56Å; C1467-F1481 PolarHBondContact N-O 3.05Å; C1467-F1481 WeakPolarHBondContact O-CD1 3.23Å; C1467-F1481 PolarHBondContact O-N 3.21Å; C1467-F1483 HydrophobicContact CB-CD1 3.87Å
1468	I	67	Low	57.8	Low	81 Å²	81	86.7 Å²	86.7	42%	0.415	43%	0.433	S	S	.	.			trans	-117	121.7	165.7	-62.4	175.3	0	0	0	105.5	E1477 P1480	I1468-E1477 HydrophobicContact CG2-CB 3.67Å; I1468-E1477 HydrophobicContact CG2-CG 3.96Å; I1468-P1480 HydrophobicContact CD1-CG 4.15Å; I1468-P1480 HydrophobicContact CG1-CB 4.08Å; I1468-P1480 HydrophobicContact CG1-CG 4.08Å
1469	V	62.7	Low	57.5	Low	35 Å²	35	91 Å²	91	21%	0.212	46%	0.456	C	S	.	.			trans	-99.6	129.8	175.1	175.2	0	0	0	0	108.4	S1478 F1481 M1501 F1516	V1469-S1478 PolarHBondContact N-OG 2.86Å; V1469-S1478 PolarHBondContact O-N 2.97Å; V1469-F1481 HydrophobicContact CB-CE1 4.36Å; V1469-F1481 HydrophobicContact CG2-CE1 3.73Å; V1469-F1481 HydrophobicContact CG2-CZ 3.68Å; V1469-M1501 HydrophobicContact CG1-CE 4.18Å; V1469-F1516 HydrophobicContact CG2-CE1 4.14Å; V1469-F1516 HydrophobicContact CG2-CZ 4.18Å
1470	R	63.2	Low	57.8	Low	141 Å²	141	93.5 Å²	93.5	53%	0.532	47%	0.472	S	S	.	.	B	Isolated β-bridge	trans	-120.5	136.5	173.2	-175.3	-170.5	-68.7	-170.4	0.1	107.1	T1474 E1477	R1470-T1474 VanDerWaalsContact CD-O 3.28Å; R1470-T1474 WeakPolarHBondContact CD-O 3.49Å; R1470-T1474 WeakPolarHBondContact CG-O 3.49Å; R1470-E1477 IonicContact CZ-OE1 3.54Å; R1470-E1477 IonicContact NE-OE1 3.6Å; R1470-E1477 IonicContact NH2-OE1 2.68Å; R1470-E1477 PolarHBondContact NH2-OE1 3.37Å
1471	I	54.6	Low	58.1	Low	85 Å²	85	90.3 Å²	90.3	44%	0.436	46%	0.455	S	S	.	.			trans	-77.3	137.6	177.2	-60.6	173.5	0	0	0	108.2	G1473 T1474 L1493	I1471-G1473 PolarHBondContact O-N 3.05Å; I1471-T1474 HydrophobicContact CB-CG2 4.02Å; I1471-T1474 HydrophobicContact CG2-CG2 4.22Å; I1471-T1474 PolarHBondContact O-N 3.43Å; I1471-T1474 PolarHBondContact O-OG1 3.1Å; I1471-T1474 VanDerWaalsContact O-OG1 3.11Å; I1471-L1493 HydrophobicContact CD1-CD1 3.85Å
1472	E	45.7	Very low	58.8	Low	159 Å²	159	88.6 Å²	88.6	74%	0.743	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	123	179.1	-172.4	165.8	-161.4	0	0	110.2
1473	G	53.5	Low	59.5	Low	87 Å²	87	83.8 Å²	83.8	90%	0.897	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	4.5	-173	0	0	0	0	0	116.2	I1471	I1471-G1473 PolarHBondContact O-N 3.05Å
1474	T	53.7	Low	60.1	Low	59 Å²	59	77.7 Å²	77.7	36%	0.362	41%	0.409	S	S	.	.			trans	-117.8	159.2	172.8	76.2	0	0	0	0	112.9	R1470 I1471	R1470-T1474 VanDerWaalsContact CD-O 3.28Å; R1470-T1474 WeakPolarHBondContact CD-O 3.49Å; R1470-T1474 WeakPolarHBondContact CG-O 3.49Å; I1471-T1474 HydrophobicContact CB-CG2 4.02Å; I1471-T1474 HydrophobicContact CG2-CG2 4.22Å; I1471-T1474 PolarHBondContact O-N 3.43Å; I1471-T1474 PolarHBondContact O-OG1 3.1Å; I1471-T1474 VanDerWaalsContact O-OG1 3.11Å
1475	E	61.7	Low	60.5	Low	182 Å²	182	75.1 Å²	75.1	85%	0.85	40%	0.395	S	S	*	.			trans	-97	-4.9	169.5	-64.1	-171.1	154.3	0	0	112.9
1476	E	55	Low	60.4	Low	66 Å²	66	77.7 Å²	77.7	31%	0.308	41%	0.413	S	S	.	.			trans	-76.7	132.3	179.9	-67.1	-158.6	178.2	0	0	112	N1494 N1495	E1476-N1494 PolarHBondContact OE2-N 2.93Å; E1476-N1495 WeakPolarHBondContact OE1-CB 3.21Å; E1476-N1495 PolarHBondContact OE1-ND2 3.3Å; E1476-N1495 PolarHBondContact OE2-N 2.88Å
1477	E	56.6	Low	60.2	Low	101 Å²	101	76.2 Å²	76.2	47%	0.472	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-110	142.9	-179.2	-67.3	-172.1	160.6	0	0	110.8	I1468 R1470	I1468-E1477 HydrophobicContact CG2-CB 3.67Å; I1468-E1477 HydrophobicContact CG2-CG 3.96Å; R1470-E1477 IonicContact CZ-OE1 3.54Å; R1470-E1477 IonicContact NE-OE1 3.6Å; R1470-E1477 IonicContact NH2-OE1 2.68Å; R1470-E1477 PolarHBondContact NH2-OE1 3.37Å
1478	S	63.2	Low	60	Low	8 Å²	8	80 Å²	80	6%	0.056	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-62.9	158.2	169	72.4	0	0	0	0	111.1	V1469	V1469-S1478 PolarHBondContact N-OG 2.86Å; V1469-S1478 PolarHBondContact O-N 2.97Å
1479	Q	61.6	Low	59.6	Low	152 Å²	152	77.7 Å²	77.7	71%	0.71	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-56.6	140.5	157.6	-72.9	-168.9	-12.6	0	0	108.8	F1481	Q1479-F1481 PolarHBondContact O-N 3.46Å
1480	P	67.3	Low	59.4	Low	73 Å²	73	79.5 Å²	79.5	47%	0.474	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-63.3	123.5	178.6	-19.9	31.3	0	0	0	110.2	F1466 C1467 I1468	F1466-P1480 HydrophobicContact CB-CB 3.52Å; F1466-P1480 HydrophobicContact CD1-CB 3.98Å; F1466-P1480 WeakPolarHBondContact CD1-O 3.2Å; F1466-P1480 HydrophobicContact CG-CB 3.8Å; C1467-P1480 WeakPolarHBondContact O-CA 3.37Å; I1468-P1480 HydrophobicContact CD1-CG 4.15Å; I1468-P1480 HydrophobicContact CG1-CB 4.08Å; I1468-P1480 HydrophobicContact CG1-CG 4.08Å
1481	F	66	Low	59.2	Low	4 Å²	4	73 Å²	73	2%	0.018	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.1	-178.9	62.7	-90.4	0	0	0	111.3	F1466 C1467 V1469 Q1479 F1487 T1489 I1503	F1466-F1481 CarbonylContact C-O 3.52Å; F1466-F1481 VanDerWaalsContact CA-O 3.31Å; F1466-F1481 WeakPolarHBondContact CA-O 3.31Å; C1467-F1481 HydrophobicContact CB-CD2 4.22Å; C1467-F1481 HydrophobicContact CB-CE1 4.05Å; C1467-F1481 HydrophobicContact CB-CE2 3.66Å; C1467-F1481 HydrophobicContact CB-CZ 3.56Å; C1467-F1481 PolarHBondContact N-O 3.05Å; C1467-F1481 WeakPolarHBondContact O-CD1 3.23Å; C1467-F1481 PolarHBondContact O-N 3.21Å; V1469-F1481 HydrophobicContact CB-CE1 4.36Å; V1469-F1481 HydrophobicContact CG2-CE1 3.73Å; V1469-F1481 HydrophobicContact CG2-CZ 3.68Å; Q1479-F1481 PolarHBondContact O-N 3.46Å; F1481-F1487 HydrophobicContact CB-CD1 4.11Å; F1481-F1487 HydrophobicContact CB-CE1 3.91Å; F1481-T1489 HydrophobicContact CB-CG2 4.08Å; F1481-T1489 HydrophobicContact CG-CG2 4.43Å; F1481-I1503 HydrophobicContact CD1-CD1 3.81Å; F1481-I1503 HydrophobicContact CD2-CD1 4.02Å; F1481-I1503 HydrophobicContact CE1-CD1 3.43Å; F1481-I1503 VanDerWaalsContact CE1-CD1 3.43Å; F1481-I1503 HydrophobicContact CE2-CD1 3.66Å; F1481-I1503 HydrophobicContact CE2-CG2 4.13Å; F1481-I1503 HydrophobicContact CG-CD1 4.1Å; F1481-I1503 HydrophobicContact CZ-CD1 3.35Å
1482	P	67.1	Low	59.2	Low	17 Å²	17	77.1 Å²	77.1	11%	0.11	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	138.6	179	26.4	-35.1	0	0	0	111.6	L1465 F1487	L1465-P1482 WeakPolarHBondContact O-CA 3.32Å; P1482-F1487 HydrophobicContact CG-CB 4.13Å; P1482-F1487 HydrophobicContact CG-CD1 3.74Å; P1482-F1487 HydrophobicContact CG-CD2 4.12Å; P1482-F1487 HydrophobicContact CG-CE1 4.09Å; P1482-F1487 HydrophobicContact CG-CE2 4.47Å; P1482-F1487 HydrophobicContact CG-CG 3.75Å; P1482-F1487 HydrophobicContact CG-CZ 4.45Å
1483	F	65.5	Low	59.6	Low	13 Å²	13	71.7 Å²	71.7	6%	0.057	38%	0.381	C	S	.	.	S	Bend	trans	-108.8	18.3	172.6	60.7	-96.2	0	0	0	112.6	Y1437 P1459 L1465 C1467 H1505 I1514	Y1437-F1483 HydrophobicContact CD1-CD2 4.17Å; Y1437-F1483 AromaticContact CE1-CD2 3.71Å; Y1437-F1483 HydrophobicContact CE1-CD2 3.71Å; Y1437-F1483 HydrophobicContact CE1-CE2 4.18Å; Y1437-F1483 WeakPolarHBondContact CE1-O 3.35Å; P1459-F1483 HydrophobicContact CB-CE1 4.48Å; P1459-F1483 HydrophobicContact CB-CE2 3.62Å; P1459-F1483 HydrophobicContact CB-CZ 3.5Å; P1459-F1483 VanDerWaalsContact CB-CZ 3.5Å; P1459-F1483 HydrophobicContact CG-CD2 4.08Å; P1459-F1483 HydrophobicContact CG-CE2 3.23Å; P1459-F1483 HydrophobicContact CG-CZ 3.72Å; L1465-F1483 HydrophobicContact CB-CE1 4.35Å; L1465-F1483 HydrophobicContact CB-CE2 4.49Å; L1465-F1483 HydrophobicContact CB-CZ 4.03Å; L1465-F1483 HydrophobicContact CD2-CE2 3.73Å; L1465-F1483 HydrophobicContact CD2-CZ 3.58Å; L1465-F1483 HydrophobicContact CG-CZ 4.39Å; L1465-F1483 VanDerWaalsContact O-CD1 3.23Å; L1465-F1483 WeakPolarHBondContact O-CD1 2.89Å; L1465-F1483 WeakPolarHBondContact O-CE1 3.12Å; L1465-F1483 PolarHBondContact O-N 2.92Å; C1467-F1483 HydrophobicContact CB-CD1 3.87Å; F1483-H1505 VanDerWaalsContact C-NE2 3.29Å; F1483-H1505 VanDerWaalsContact CA-NE2 3.34Å; F1483-H1505 WeakPolarHBondContact CA-NE2 3.49Å; F1483-H1505 PolarHBondContact O-CE1 2.79Å; F1483-H1505 PolarHBondContact O-NE2 2.89Å; F1483-I1514 HydrophobicContact CB-CD1 4.05Å
1484	T	61.7	Low	59.4	Low	40 Å²	40	72.8 Å²	72.8	25%	0.245	37%	0.367	C	S	.	.	S	Bend	trans	-102.6	-37.3	176.9	44.8	0	0	0	0	113	L1465	L1465-T1484 HydrophobicContact CB-CG2 4.1Å; L1465-T1484 HydrophobicContact CD1-CG2 4.1Å; L1465-T1484 HydrophobicContact CD2-CG2 4.07Å; L1465-T1484 HydrophobicContact CG-CG2 4.31Å
1485	D	57.2	Low	59.1	Low	90 Å²	90	74.7 Å²	74.7	48%	0.481	37%	0.374	S	S	.	.	S	Bend	trans	-105	153.8	-166.7	-35.9	-28.8	0	0	0	108.9	F1487 H1505	D1485-F1487 PolarHBondContact O-N 3.19Å; D1485-H1505 PolarHBondContact O-ND1 3.23Å
1486	T	58.6	Low	58.2	Low	105 Å²	105	75.9 Å²	75.9	64%	0.644	38%	0.377	S	S	*	.			trans	-68.3	86.4	174.8	-52.5	0	0	0	0	109.8	V1507	T1486-V1507 WeakPolarHBondContact OG1-CB 2.98Å; T1486-V1507 WeakPolarHBondContact OG1-CG2 3.3Å
1487	F	58.2	Low	57.6	Low	74 Å²	74	78 Å²	78	33%	0.325	39%	0.394	S	S	.	.			trans	-112.1	110	-170.1	-167.7	-117.9	0	0	0	110.1	F1481 P1482 D1485 T1489 I1503 H1505	F1481-F1487 HydrophobicContact CB-CD1 4.11Å; F1481-F1487 HydrophobicContact CB-CE1 3.91Å; P1482-F1487 HydrophobicContact CG-CB 4.13Å; P1482-F1487 HydrophobicContact CG-CD1 3.74Å; P1482-F1487 HydrophobicContact CG-CD2 4.12Å; P1482-F1487 HydrophobicContact CG-CE1 4.09Å; P1482-F1487 HydrophobicContact CG-CE2 4.47Å; P1482-F1487 HydrophobicContact CG-CG 3.75Å; P1482-F1487 HydrophobicContact CG-CZ 4.45Å; D1485-F1487 PolarHBondContact O-N 3.19Å; F1487-T1489 HydrophobicContact CD1-CG2 3.74Å; F1487-T1489 HydrophobicContact CE1-CG2 3.64Å; F1487-I1503 VanDerWaalsContact O-O 3.13Å; F1487-H1505 HydrophobicContact CB-CB 4.44Å; F1487-H1505 VanDerWaalsContact O-CB 3.22Å; F1487-H1505 WeakPolarHBondContact O-CB 3.38Å
1488	E	60.2	Low	56.8	Low	109 Å²	109	82.9 Å²	82.9	51%	0.509	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.8	170.7	-63.6	-177.8	116.5	0	0	107.7	Y1502 I1503	E1488-Y1502 HydrophobicContact CB-CE2 4.04Å; E1488-Y1502 PolarHBondContact OE1-OH 2.88Å; E1488-Y1502 PolarHBondContact OE2-OH 3.2Å; E1488-I1503 WeakPolarHBondContact CA-O 3.27Å
1489	T	57.9	Low	55.8	Low	31 Å²	31	84.7 Å²	84.7	19%	0.19	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.1	-173.6	-169.7	0	0	0	0	114	F1481 F1487 I1503	F1481-T1489 HydrophobicContact CB-CG2 4.08Å; F1481-T1489 HydrophobicContact CG-CG2 4.43Å; F1487-T1489 HydrophobicContact CD1-CG2 3.74Å; F1487-T1489 HydrophobicContact CE1-CG2 3.64Å; T1489-I1503 HydrophobicContact CG2-CB 4.04Å; T1489-I1503 HydrophobicContact CG2-CD1 4.32Å; T1489-I1503 HydrophobicContact CG2-CG1 4.29Å; T1489-I1503 PolarHBondContact O-N 3.32Å
1490	L	60	Low	55.2	Low	74 Å²	74	82.4 Å²	82.4	39%	0.387	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	90.2	-179.9	-169.8	73.1	0	0	0	109.6	R1492 F1500 Y1519	L1490-R1492 PolarHBondContact O-N 2.62Å; L1490-F1500 HydrophobicContact CD1-CB 3.85Å; L1490-F1500 HydrophobicContact CD1-CD1 3.6Å; L1490-F1500 HydrophobicContact CD1-CE1 4.43Å; L1490-F1500 HydrophobicContact CD1-CG 3.99Å; L1490-F1500 HydrophobicContact CD2-CD1 4.11Å; L1490-F1500 HydrophobicContact CD2-CE1 4.18Å; L1490-F1500 HydrophobicContact CG-CD1 3.88Å; L1490-F1500 HydrophobicContact CG-CE1 4.43Å; L1490-Y1519 HydrophobicContact CD1-CD2 3.42Å; L1490-Y1519 VanDerWaalsContact CD1-CD2 3.42Å; L1490-Y1519 HydrophobicContact CD1-CE2 4.04Å; L1490-Y1519 HydrophobicContact CD1-CG 3.8Å
1491	C	58	Low	54.5	Low	4 Å²	4	81 Å²	81	3%	0.027	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	95.9	178.1	-82.5	0	0	0	0	111.7	L1493 M1501 I1503	C1491-L1493 PolarHBondContact O-N 2.76Å; C1491-L1493 VanDerWaalsContact O-N 3.13Å; C1491-M1501 HydrophobicContact CB-CB 4.33Å; C1491-M1501 PolarHBondContact N-O 3.19Å; C1491-I1503 WeakPolarHBondContact SG-CD1 3.34Å
1492	R	53.9	Low	53.8	Low	172 Å²	172	81.8 Å²	81.8	65%	0.649	41%	0.408	S	S	*	.			trans	-78	88.6	173.1	-178.1	-177.3	165.3	152.9	0.4	111	L1490 N1494	L1490-R1492 PolarHBondContact O-N 2.62Å; R1492-N1494 PolarHBondContact NE-OD1 3.01Å; R1492-N1494 PolarHBondContact NH2-OD1 3.13Å
1493	L	55.8	Low	53.3	Low	45 Å²	45	81 Å²	81	24%	0.236	40%	0.402	C	S	.	.			trans	-71.3	138.2	159.4	-64.6	170.2	0	0	0	108.7	I1471 C1491	I1471-L1493 HydrophobicContact CD1-CD1 3.85Å; C1491-L1493 PolarHBondContact O-N 2.76Å; C1491-L1493 VanDerWaalsContact O-N 3.13Å
1494	N	49.1	Very low	52.7	Low	110 Å²	110	81.8 Å²	81.8	59%	0.588	41%	0.408	S	S	*	.			trans	-95.2	-4.2	-161.9	-90.9	-45.2	0	0	0	114.9	E1476 R1492	E1476-N1494 PolarHBondContact OE2-N 2.93Å; R1492-N1494 PolarHBondContact NE-OD1 3.01Å; R1492-N1494 PolarHBondContact NH2-OD1 3.13Å
1495	N	47.3	Very low	52.5	Low	98 Å²	98	79.9 Å²	79.9	52%	0.524	40%	0.397	S	S	.	.	S	Bend	trans	-124.8	129.5	175	-80.3	-71	0	0	0	116.5	E1476 V1497	E1476-N1495 WeakPolarHBondContact OE1-CB 3.21Å; E1476-N1495 PolarHBondContact OE1-ND2 3.3Å; E1476-N1495 PolarHBondContact OE2-N 2.88Å; N1495-V1497 VanDerWaalsContact C-N 3.33Å; N1495-V1497 PolarHBondContact O-N 2.92Å
1496	K	41.9	Very low	52.2	Low	207 Å²	207	77.8 Å²	77.8	90%	0.9	39%	0.389	S	S	*	.	S	Bend	trans	61.7	-9.1	145.2	-68.1	-176.7	177.5	175.1	0	121.7
1497	V	42	Very low	52.1	Low	111 Å²	111	75.6 Å²	75.6	67%	0.673	38%	0.375	S	S	*	.	S	Bend	trans	-119.1	140.6	170.2	-173	0	0	0	0	110.3	N1495 A1499	N1495-V1497 VanDerWaalsContact C-N 3.33Å; N1495-V1497 PolarHBondContact O-N 2.92Å; V1497-A1499 HydrophobicContact CG1-CB 4.28Å; V1497-A1499 PolarHBondContact O-N 3.36Å
1498	K	41.3	Very low	51.8	Low	204 Å²	204	74.1 Å²	74.1	89%	0.887	37%	0.374	S	S	*	.			trans	-74.6	31.1	-179.8	-68.2	-170.8	175.5	-174	0	113.8	F1500	K1498-F1500 VanDerWaalsContact C-N 3.28Å; K1498-F1500 PolarHBondContact O-N 2.87Å
1499	A	41.4	Very low	51.5	Low	45 Å²	45	74.9 Å²	74.9	37%	0.372	38%	0.381	S	S	.	.			trans	-80.6	73.5	-179.1	0	0	0	0	0	110.7	V1497 M1501	V1497-A1499 HydrophobicContact CG1-CB 4.28Å; V1497-A1499 PolarHBondContact O-N 3.36Å; A1499-M1501 PolarHBondContact O-N 3.43Å
1500	F	50	Low	51.2	Low	105 Å²	105	75.5 Å²	75.5	46%	0.461	39%	0.387	S	S	.	.			trans	-69.2	81.6	158.4	-74.2	-61.2	0	0	0	108	L1490 K1498 Y1502 Y1519	L1490-F1500 HydrophobicContact CD1-CB 3.85Å; L1490-F1500 HydrophobicContact CD1-CD1 3.6Å; L1490-F1500 HydrophobicContact CD1-CE1 4.43Å; L1490-F1500 HydrophobicContact CD1-CG 3.99Å; L1490-F1500 HydrophobicContact CD2-CD1 4.11Å; L1490-F1500 HydrophobicContact CD2-CE1 4.18Å; L1490-F1500 HydrophobicContact CG-CD1 3.88Å; L1490-F1500 HydrophobicContact CG-CE1 4.43Å; K1498-F1500 VanDerWaalsContact C-N 3.28Å; K1498-F1500 PolarHBondContact O-N 2.87Å; F1500-Y1502 PolarHBondContact O-N 2.76Å; F1500-Y1519 HydrophobicContact CB-CG 4.34Å
1501	M	52.3	Low	51.4	Low	42 Å²	42	72.1 Å²	72.1	21%	0.207	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	99.6	-178.4	-168	167.8	67.7	0	0	108.5	V1469 C1491 A1499 I1503 F1516 Y1517	V1469-M1501 HydrophobicContact CG1-CE 4.18Å; C1491-M1501 HydrophobicContact CB-CB 4.33Å; C1491-M1501 PolarHBondContact N-O 3.19Å; A1499-M1501 PolarHBondContact O-N 3.43Å; M1501-I1503 HydrophobicContact CE-CD1 4.16Å; M1501-I1503 HydrophobicContact CE-CG1 4.37Å; M1501-I1503 HydrophobicContact CG-CG1 4.44Å; M1501-I1503 PolarHBondContact O-N 3.41Å; M1501-F1516 HydrophobicContact CE-CD1 3.63Å; M1501-F1516 HydrophobicContact CE-CE1 3.85Å; M1501-F1516 HydrophobicContact CG-CB 4.06Å; M1501-F1516 HydrophobicContact CG-CD1 3.99Å; M1501-F1516 HydrophobicContact CG-CG 4.49Å; M1501-F1516 HydrophobicContact SD-CB 3.91Å; M1501-F1516 HydrophobicContact SD-CD1 3.45Å; M1501-F1516 WeakPolarHBondContact SD-CD1 3.5Å; M1501-F1516 HydrophobicContact SD-CE1 4.22Å; M1501-F1516 HydrophobicContact SD-CG 3.93Å; M1501-Y1517 CarbonylContact C-O 3.47Å; M1501-Y1517 WeakPolarHBondContact CA-O 3.25Å
1502	Y	50.1	Low	51.8	Low	22 Å²	22	72 Å²	72	9%	0.086	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	104.2	172.9	-173	-114.1	0	0	0	107.1	E1488 F1500 V1504 Y1517 D1518 M1523	E1488-Y1502 HydrophobicContact CB-CE2 4.04Å; E1488-Y1502 PolarHBondContact OE1-OH 2.88Å; E1488-Y1502 PolarHBondContact OE2-OH 3.2Å; F1500-Y1502 PolarHBondContact O-N 2.76Å; Y1502-V1504 HydrophobicContact CD1-CG2 3.5Å; Y1502-V1504 HydrophobicContact CE1-CG2 3.4Å; Y1502-V1504 PolarHBondContact O-N 2.8Å; Y1502-Y1517 PolarHBondContact N-O 2.85Å; Y1502-Y1517 WeakPolarHBondContact O-CB 3.4Å; Y1502-Y1517 PolarHBondContact O-N 2.91Å; Y1502-D1518 WeakPolarHBondContact CB-O 3.24Å; Y1502-M1523 HydrophobicContact CD2-SD 4.31Å; Y1502-M1523 HydrophobicContact CE1-SD 4.11Å; Y1502-M1523 HydrophobicContact CE2-CB 4.43Å; Y1502-M1523 HydrophobicContact CE2-SD 3.56Å; Y1502-M1523 VanDerWaalsContact CE2-SD 3.56Å; Y1502-M1523 PolarHBondContact OH-SD 2.8Å
1503	I	57.2	Low	52.4	Low	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	105.4	177.5	-54.6	-170.3	0	0	0	106.7	F1481 F1487 E1488 T1489 C1491 M1501 H1505 I1514 F1516	F1481-I1503 HydrophobicContact CD1-CD1 3.81Å; F1481-I1503 HydrophobicContact CD2-CD1 4.02Å; F1481-I1503 HydrophobicContact CE1-CD1 3.43Å; F1481-I1503 VanDerWaalsContact CE1-CD1 3.43Å; F1481-I1503 HydrophobicContact CE2-CD1 3.66Å; F1481-I1503 HydrophobicContact CE2-CG2 4.13Å; F1481-I1503 HydrophobicContact CG-CD1 4.1Å; F1481-I1503 HydrophobicContact CZ-CD1 3.35Å; F1487-I1503 VanDerWaalsContact O-O 3.13Å; E1488-I1503 WeakPolarHBondContact CA-O 3.27Å; T1489-I1503 HydrophobicContact CG2-CB 4.04Å; T1489-I1503 HydrophobicContact CG2-CD1 4.32Å; T1489-I1503 HydrophobicContact CG2-CG1 4.29Å; T1489-I1503 PolarHBondContact O-N 3.32Å; C1491-I1503 WeakPolarHBondContact SG-CD1 3.34Å; M1501-I1503 HydrophobicContact CE-CD1 4.16Å; M1501-I1503 HydrophobicContact CE-CG1 4.37Å; M1501-I1503 HydrophobicContact CG-CG1 4.44Å; M1501-I1503 PolarHBondContact O-N 3.41Å; I1503-H1505 PolarHBondContact O-N 2.91Å; I1503-I1514 HydrophobicContact CG2-CG2 4.2Å; I1503-F1516 HydrophobicContact CD1-CD1 4.26Å; I1503-F1516 HydrophobicContact CD1-CE1 4Å; I1503-F1516 HydrophobicContact CG1-CD1 4.05Å; I1503-F1516 HydrophobicContact CG1-CE1 4.27Å
1504	V	52	Low	53.1	Low	29 Å²	29	63 Å²	63	18%	0.176	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	98.4	166.2	-176.9	0	0	0	0	106.5	Y1502 S1506 A1515 Y1517	Y1502-V1504 HydrophobicContact CD1-CG2 3.5Å; Y1502-V1504 HydrophobicContact CE1-CG2 3.4Å; Y1502-V1504 PolarHBondContact O-N 2.8Å; V1504-S1506 PolarHBondContact O-N 2.88Å; V1504-A1515 PolarHBondContact N-O 2.77Å; V1504-A1515 PolarHBondContact O-N 2.79Å; V1504-Y1517 HydrophobicContact CB-CD2 3.84Å; V1504-Y1517 HydrophobicContact CB-CE2 3.56Å; V1504-Y1517 HydrophobicContact CG2-CD2 3.52Å; V1504-Y1517 HydrophobicContact CG2-CE2 3.59Å; V1504-Y1517 HydrophobicContact CG2-CG 4.08Å
1505	H	57.5	Low	53.9	Low	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	78.8	170.5	-164.6	-102.7	0	0	0	110	F1483 D1485 F1487 I1503 V1507 V1512	F1483-H1505 VanDerWaalsContact C-NE2 3.29Å; F1483-H1505 VanDerWaalsContact CA-NE2 3.34Å; F1483-H1505 WeakPolarHBondContact CA-NE2 3.49Å; F1483-H1505 PolarHBondContact O-CE1 2.79Å; F1483-H1505 PolarHBondContact O-NE2 2.89Å; D1485-H1505 PolarHBondContact O-ND1 3.23Å; F1487-H1505 HydrophobicContact CB-CB 4.44Å; F1487-H1505 VanDerWaalsContact O-CB 3.22Å; F1487-H1505 WeakPolarHBondContact O-CB 3.38Å; I1503-H1505 PolarHBondContact O-N 2.91Å; H1505-V1507 PolarHBondContact O-N 2.87Å; H1505-V1512 VanDerWaalsContact CE1-CG1 3.48Å; H1505-V1512 WeakPolarHBondContact CE1-CG1 3.22Å; H1505-V1512 WeakPolarHBondContact NE2-CG1 3.34Å
1506	S	51.5	Low	54.9	Low	46 Å²	46	54.6 Å²	54.6	32%	0.322	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	91.6	-177.7	69.4	0	0	0	0	110.3	V1504 T1513	V1504-S1506 PolarHBondContact O-N 2.88Å; S1506-T1513 PolarHBondContact N-O 2.9Å; S1506-T1513 VanDerWaalsContact N-O 3.16Å; S1506-T1513 PolarHBondContact O-N 2.77Å; S1506-T1513 PolarHBondContact OG-O 2.87Å
1507	V	56	Low	56	Low	58 Å²	58	49 Å²	49	35%	0.352	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	121.9	163.1	-169	0	0	0	0	107.7	T1486 H1505 V1512	T1486-V1507 WeakPolarHBondContact OG1-CB 2.98Å; T1486-V1507 WeakPolarHBondContact OG1-CG2 3.3Å; H1505-V1507 PolarHBondContact O-N 2.87Å; V1507-V1512 HydrophobicContact CG1-CG2 4.3Å; V1507-V1512 HydrophobicContact CG2-CG2 4.23Å
1508	S	53.4	Low	56.8	Low	44 Å²	44	48.5 Å²	48.5	31%	0.308	26%	0.257	S	S	.	.			trans	-123.4	157.6	171.4	67.6	0	0	0	0	109.5	S1510 G1511	S1508-S1510 CarbonylContact O-C 3.5Å; S1508-S1510 PolarHBondContact O-N 2.76Å; S1508-S1510 VanDerWaalsContact O-N 3.08Å; S1508-S1510 PolarHBondContact OG-OG 3.25Å; S1508-G1511 PolarHBondContact N-O 2.76Å; S1508-G1511 PolarHBondContact O-N 2.77Å; S1508-G1511 PolarHBondContact OG-N 2.92Å; S1508-G1511 VanDerWaalsContact OG-N 3.14Å; S1508-G1511 PolarHBondContact OG-O 3.16Å
1509	D	52.6	Low	57.7	Low	124 Å²	124	43.5 Å²	43.5	66%	0.663	23%	0.233	S	C	*	.	S	Bend	trans	-53.9	-32.2	177.1	-49.2	-17.5	0	0	0	112.2	A1402 G1403	A1402-D1509 CarbonylContact C-O 3.49Å; A1402-D1509 CarbonylContact O-C 3.53Å; A1402-D1509 VanDerWaalsContact O-CB 3.25Å; A1402-D1509 WeakPolarHBondContact O-CB 3.4Å; G1403-D1509 CarbonylContact C-O 3.58Å; G1403-D1509 WeakPolarHBondContact CA-O 3.5Å
1510	S	52.9	Low	58.2	Low	44 Å²	44	48 Å²	48	31%	0.308	25%	0.247	S	C	.	.	S	Bend	trans	-62	-54.8	168	15.7	0	0	0	0	113.4	A1402 S1417 F1436 S1508	A1402-S1510 VanDerWaalsContact CB-CA 3.5Å; A1402-S1510 VanDerWaalsContact CB-CB 3.44Å; S1417-S1510 WeakPolarHBondContact CA-O 3.49Å; S1417-S1510 WeakPolarHBondContact CB-O 3.48Å; S1417-S1510 PolarHBondContact OG-O 2.8Å; S1417-S1510 VanDerWaalsContact OG-O 3.14Å; F1436-S1510 WeakPolarHBondContact CD2-O 3.49Å; S1508-S1510 CarbonylContact O-C 3.5Å; S1508-S1510 PolarHBondContact O-N 2.76Å; S1508-S1510 VanDerWaalsContact O-N 3.08Å; S1508-S1510 PolarHBondContact OG-OG 3.25Å
1511	G	64.1	Low	58.3	Low	3 Å²	3	49.9 Å²	49.9	3%	0.031	26%	0.261	C	S	.	.			trans	-175.7	156.7	-159.9	0	0	0	0	0	113.9	F1436 S1508	F1436-G1511 VanDerWaalsContact CE2-CA 3.5Å; F1436-G1511 CarbonylContact O-C 3.48Å; F1436-G1511 VanDerWaalsContact O-CA 3.32Å; F1436-G1511 WeakPolarHBondContact O-CA 3.45Å; S1508-G1511 PolarHBondContact N-O 2.76Å; S1508-G1511 PolarHBondContact O-N 2.77Å; S1508-G1511 PolarHBondContact OG-N 2.92Å; S1508-G1511 VanDerWaalsContact OG-N 3.14Å; S1508-G1511 PolarHBondContact OG-O 3.16Å
1512	V	66.3	Low	58.5	Low	2 Å²	2	51.6 Å²	51.6	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	119.4	165.9	162.3	0	0	0	0	108.6	F1436 Y1437 Q1438 H1505 V1507 I1514	F1436-V1512 HydrophobicContact CD1-CG2 4.4Å; F1436-V1512 HydrophobicContact CE1-CB 4.06Å; F1436-V1512 HydrophobicContact CE1-CG2 3.52Å; F1436-V1512 HydrophobicContact CZ-CG2 3.87Å; F1436-V1512 PolarHBondContact O-N 3.15Å; Y1437-V1512 HydrophobicContact CD1-CB 3.65Å; Y1437-V1512 HydrophobicContact CD1-CG1 3.62Å; Y1437-V1512 HydrophobicContact CD1-CG2 4.08Å; Y1437-V1512 HydrophobicContact CE1-CB 4.11Å; Y1437-V1512 HydrophobicContact CE1-CG1 4.19Å; Y1437-V1512 HydrophobicContact CE1-CG2 4.01Å; Q1438-V1512 PolarHBondContact N-O 3.2Å; H1505-V1512 VanDerWaalsContact CE1-CG1 3.48Å; H1505-V1512 WeakPolarHBondContact CE1-CG1 3.22Å; H1505-V1512 WeakPolarHBondContact NE2-CG1 3.34Å; V1507-V1512 HydrophobicContact CG1-CG2 4.3Å; V1507-V1512 HydrophobicContact CG2-CG2 4.23Å; V1512-I1514 HydrophobicContact CG1-CG1 4.23Å
1513	T	66.3	Low	58.9	Low	27 Å²	27	54.4 Å²	54.4	17%	0.166	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114	164.3	-54	0	0	0	0	108.9	Q1438 K1440 S1506 A1515	Q1438-T1513 WeakPolarHBondContact O-CA 3.29Å; K1440-T1513 HydrophobicContact CB-CG2 3.59Å; K1440-T1513 HydrophobicContact CD-CG2 3.99Å; K1440-T1513 HydrophobicContact CG-CG2 4.46Å; S1506-T1513 PolarHBondContact N-O 2.9Å; S1506-T1513 VanDerWaalsContact N-O 3.16Å; S1506-T1513 PolarHBondContact O-N 2.77Å; S1506-T1513 PolarHBondContact OG-O 2.87Å; T1513-A1515 HydrophobicContact CG2-CB 4.36Å; T1513-A1515 PolarHBondContact O-N 3.2Å
1514	I	69.5	Low	58.9	Low	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	113.2	167.2	-55	176.4	0	0	0	106.5	Q1438 L1439 K1440 F1457 F1483 I1503 V1512 F1516	Q1438-I1514 PolarHBondContact O-N 3.42Å; L1439-I1514 HydrophobicContact CD2-CB 4.03Å; L1439-I1514 HydrophobicContact CD2-CD1 4.05Å; L1439-I1514 HydrophobicContact CD2-CG2 4.23Å; K1440-I1514 PolarHBondContact N-O 2.75Å; F1457-I1514 HydrophobicContact CE1-CD1 4.08Å; F1457-I1514 HydrophobicContact CZ-CD1 3.75Å; F1483-I1514 HydrophobicContact CB-CD1 4.05Å; I1503-I1514 HydrophobicContact CG2-CG2 4.2Å; V1512-I1514 HydrophobicContact CG1-CG1 4.23Å; I1514-F1516 HydrophobicContact CG2-CE1 3.89Å; I1514-F1516 HydrophobicContact CG2-CE2 4.04Å; I1514-F1516 HydrophobicContact CG2-CZ 3.52Å
1515	A	66.5	Low	59	Low	2 Å²	2	65.1 Å²	65.1	2%	0.017	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.3	-178.9	0	0	0	0	0	112.3	K1440 M1442 V1504 T1513 Y1517	K1440-A1515 WeakPolarHBondContact O-CA 3.49Å; M1442-A1515 HydrophobicContact CG-CB 4.1Å; V1504-A1515 PolarHBondContact N-O 2.77Å; V1504-A1515 PolarHBondContact O-N 2.79Å; T1513-A1515 HydrophobicContact CG2-CB 4.36Å; T1513-A1515 PolarHBondContact O-N 3.2Å; A1515-Y1517 HydrophobicContact CB-CD2 4.35Å; A1515-Y1517 HydrophobicContact CB-CE2 3.56Å
1516	F	68.8	Low	59	Low	30 Å²	30	67.8 Å²	67.8	13%	0.132	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.8	-167.8	-56.7	-75.7	0	0	0	111.3	L1439 M1442 G1443 V1469 M1501 I1503 I1514	L1439-F1516 HydrophobicContact CD2-CE2 4.13Å; L1439-F1516 HydrophobicContact CD2-CZ 4.23Å; M1442-F1516 CarbonylContact C-O 3.53Å; M1442-F1516 WeakPolarHBondContact CB-O 3.28Å; G1443-F1516 PolarHBondContact N-O 3.08Å; V1469-F1516 HydrophobicContact CG2-CE1 4.14Å; V1469-F1516 HydrophobicContact CG2-CZ 4.18Å; M1501-F1516 HydrophobicContact CE-CD1 3.63Å; M1501-F1516 HydrophobicContact CE-CE1 3.85Å; M1501-F1516 HydrophobicContact CG-CB 4.06Å; M1501-F1516 HydrophobicContact CG-CD1 3.99Å; M1501-F1516 HydrophobicContact CG-CG 4.49Å; M1501-F1516 HydrophobicContact SD-CB 3.91Å; M1501-F1516 HydrophobicContact SD-CD1 3.45Å; M1501-F1516 WeakPolarHBondContact SD-CD1 3.5Å; M1501-F1516 HydrophobicContact SD-CE1 4.22Å; M1501-F1516 HydrophobicContact SD-CG 3.93Å; I1503-F1516 HydrophobicContact CD1-CD1 4.26Å; I1503-F1516 HydrophobicContact CD1-CE1 4Å; I1503-F1516 HydrophobicContact CG1-CD1 4.05Å; I1503-F1516 HydrophobicContact CG1-CE1 4.27Å; I1514-F1516 HydrophobicContact CG2-CE1 3.89Å; I1514-F1516 HydrophobicContact CG2-CE2 4.04Å; I1514-F1516 HydrophobicContact CG2-CZ 3.52Å
1517	Y	63.4	Low	59.5	Low	90 Å²	90	69.1 Å²	69.1	35%	0.353	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	177.3	-171.3	-65.3	-110.7	0	0	0	112.7	M1442 M1501 Y1502 V1504 A1515	M1442-Y1517 HydrophobicContact CB-CE2 4.48Å; M1442-Y1517 HydrophobicContact CG-CE2 4.46Å; M1501-Y1517 CarbonylContact C-O 3.47Å; M1501-Y1517 WeakPolarHBondContact CA-O 3.25Å; Y1502-Y1517 PolarHBondContact N-O 2.85Å; Y1502-Y1517 WeakPolarHBondContact O-CB 3.4Å; Y1502-Y1517 PolarHBondContact O-N 2.91Å; V1504-Y1517 HydrophobicContact CB-CD2 3.84Å; V1504-Y1517 HydrophobicContact CB-CE2 3.56Å; V1504-Y1517 HydrophobicContact CG2-CD2 3.52Å; V1504-Y1517 HydrophobicContact CG2-CE2 3.59Å; V1504-Y1517 HydrophobicContact CG2-CG 4.08Å; A1515-Y1517 HydrophobicContact CB-CD2 4.35Å; A1515-Y1517 HydrophobicContact CB-CE2 3.56Å
1518	D	58.9	Low	60	Low	101 Å²	101	71 Å²	71	54%	0.54	40%	0.402	S	S	.	.			trans	-92.8	163.2	169.8	-46.8	-46.9	0	0	0	111	K1444 Y1502	K1444-D1518 IonicContact NZ-OD2 2.6Å; K1444-D1518 PolarHBondContact NZ-OD2 3.15Å; Y1502-D1518 WeakPolarHBondContact CB-O 3.24Å
1519	Y	60.3	Low	60.8	Low	99 Å²	99	72 Å²	72	39%	0.388	40%	0.403	S	S	.	.			trans	-101.1	147.8	-171.2	163.2	-90.1	0	0	0	116.2	L1490 F1500 D1521	L1490-Y1519 HydrophobicContact CD1-CD2 3.42Å; L1490-Y1519 VanDerWaalsContact CD1-CD2 3.42Å; L1490-Y1519 HydrophobicContact CD1-CE2 4.04Å; L1490-Y1519 HydrophobicContact CD1-CG 3.8Å; F1500-Y1519 HydrophobicContact CB-CG 4.34Å; Y1519-D1521 PolarHBondContact OH-OD1 2.91Å
1520	E	53.2	Low	61.7	Low	140 Å²	140	70.4 Å²	70.4	65%	0.654	39%	0.394	S	S	*	.			trans	-142.2	166.7	173.5	-60.2	-174	170.8	0	0	113.1	M1523	E1520-M1523 HydrophobicContact CB-CE 3.89Å
1521	D	51.6	Low	62.8	Low	144 Å²	144	72.9 Å²	72.9	77%	0.77	40%	0.401	S	S	*	.	S	Bend	trans	-80.2	144.1	-176.5	-81.1	-18.4	0	0	0	114.6	Y1519	Y1519-D1521 PolarHBondContact OH-OD1 2.91Å
1522	G	55.7	Low	63	Low	78 Å²	78	73.6 Å²	73.6	80%	0.804	40%	0.403	S	S	*	.			trans	112.2	2.4	168.2	0	0	0	0	0	116.6	I1524	G1522-I1524 PolarHBondContact O-N 2.8Å
1523	M	60	Low	62.8	Low	80 Å²	80	79.3 Å²	79.3	39%	0.394	44%	0.438	S	S	.	.			trans	-94.6	54.2	-165.8	-59.9	164.9	172	0	0	114.2	Y1502 E1520	Y1502-M1523 HydrophobicContact CD2-SD 4.31Å; Y1502-M1523 HydrophobicContact CE1-SD 4.11Å; Y1502-M1523 HydrophobicContact CE2-CB 4.43Å; Y1502-M1523 HydrophobicContact CE2-SD 3.56Å; Y1502-M1523 VanDerWaalsContact CE2-SD 3.56Å; Y1502-M1523 PolarHBondContact OH-SD 2.8Å; E1520-M1523 HydrophobicContact CB-CE 3.89Å
1524	I	56.4	Low	62.5	Low	137 Å²	137	83.1 Å²	83.1	70%	0.703	47%	0.466	S	S	*	.			trans	-134.7	125.9	-174.2	-48.8	179.3	0	0	0	112.9	G1522	G1522-I1524 PolarHBondContact O-N 2.8Å
1525	P	53.6	Low	61.9	Low	117 Å²	117	86 Å²	86	76%	0.76	48%	0.483	S	S	*	.			trans	-91.9	-21.4	-165.3	33.7	-37.1	0	0	0	118.1
1526	A	57.3	Low	61.3	Low	58 Å²	58	95 Å²	95	48%	0.479	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.8	-173.1	0	0	0	0	0	112.6
1527	M	63.5	Low	60.5	Low	74 Å²	74	95.1 Å²	95.1	37%	0.365	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.7	-178.9	-176.1	171.8	58.6	0	0	111.4	I1529 R1568 T1569 I1570	M1527-I1529 HydrophobicContact CE-CD1 4.26Å; M1527-I1529 HydrophobicContact CG-CG1 4.39Å; M1527-R1568 PolarHBondContact N-O 2.96Å; M1527-T1569 HydrophobicContact CE-CG2 4.4Å; M1527-I1570 PolarHBondContact O-N 3.43Å
1528	V	64.9	Low	60	Low	98 Å²	98	100.5 Å²	100.5	59%	0.594	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.5	127	176.9	178.6	0	0	0	0	109.1	F1572	V1528-F1572 HydrophobicContact CG1-CD2 4.26Å; V1528-F1572 HydrophobicContact CG1-CE2 3.85Å
1529	I	71.1	Confident	59.4	Low	65 Å²	65	99.4 Å²	99.4	33%	0.333	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113	108.2	177.8	-56.3	178.4	0	0	0	108.4	M1527 T1569 I1570 L1571 F1572	M1527-I1529 HydrophobicContact CE-CD1 4.26Å; M1527-I1529 HydrophobicContact CG-CG1 4.39Å; I1529-T1569 HydrophobicContact CD1-CG2 3.86Å; I1529-T1569 HydrophobicContact CG1-CG2 4.35Å; I1529-I1570 PolarHBondContact N-O 2.84Å; I1529-L1571 HydrophobicContact CB-CD1 4.1Å; I1529-L1571 HydrophobicContact CG2-CD1 3.8Å; I1529-F1572 PolarHBondContact O-N 3.24Å; I1529-F1572 VanDerWaalsContact O-N 3.08Å
1530	N	71.4	Confident	59.2	Low	90 Å²	90	102.9 Å²	102.9	48%	0.481	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87	113.3	167.1	-174.1	3.1	0	0	0	109	F1532 V1535	N1530-F1532 WeakPolarHBondContact OD1-CB 3.16Å; N1530-F1532 WeakPolarHBondContact OD1-CD2 3.02Å; N1530-F1532 PolarHBondContact OD1-N 3.02Å; N1530-V1535 PolarHBondContact ND2-O 3.16Å
1531	H	75.8	Confident	58.9	Low	96 Å²	96	100.9 Å²	100.9	44%	0.444	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.5	15.7	174.2	-164.6	-73.4	0	0	0	111.6	L1571 F1572	H1531-L1571 HydrophobicContact CB-CD1 4.14Å; H1531-F1572 WeakPolarHBondContact CA-O 3.49Å; H1531-F1572 WeakPolarHBondContact CB-O 3.28Å; H1531-F1572 PolarHBondContact N-O 3.03Å
1532	F	68.5	Low	58.8	Low	17 Å²	17	98.6 Å²	98.6	8%	0.075	55%	0.55	C	S	.	.			trans	-71.9	133.7	169	-65.6	-57.1	0	0	0	110.9	N1530 S1534 V1535 A1537 F1549 L1551 A1557 F1572 T1573 D1574	N1530-F1532 WeakPolarHBondContact OD1-CB 3.16Å; N1530-F1532 WeakPolarHBondContact OD1-CD2 3.02Å; N1530-F1532 PolarHBondContact OD1-N 3.02Å; F1532-S1534 VanDerWaalsContact C-N 3.27Å; F1532-S1534 PolarHBondContact O-N 2.92Å; F1532-V1535 HydrophobicContact CB-CB 4.27Å; F1532-A1537 HydrophobicContact CD2-CB 3.89Å; F1532-A1537 HydrophobicContact CE2-CB 3.41Å; F1532-A1537 VanDerWaalsContact CE2-CB 3.41Å; F1532-A1537 HydrophobicContact CZ-CB 4.44Å; F1532-F1549 HydrophobicContact CZ-CE2 4.45Å; F1532-F1549 AromaticContact CZ-CZ 3.97Å; F1532-F1549 HydrophobicContact CZ-CZ 3.97Å; F1532-L1551 HydrophobicContact CD1-CD1 4.04Å; F1532-L1551 HydrophobicContact CE1-CD1 3.7Å; F1532-L1551 HydrophobicContact CE2-CD1 4.47Å; F1532-L1551 HydrophobicContact CZ-CD1 3.96Å; F1532-A1557 HydrophobicContact CE1-CB 3.81Å; F1532-A1557 HydrophobicContact CZ-CB 3.95Å; F1532-F1572 HydrophobicContact CD2-CB 4.14Å; F1532-F1572 HydrophobicContact CE2-CB 3.5Å; F1532-F1572 HydrophobicContact CE2-CG 4.3Å; F1532-F1572 HydrophobicContact CZ-CB 3.95Å; F1532-T1573 WeakPolarHBondContact CE1-O 3.47Å; F1532-D1574 HydrophobicContact CD1-CB 3.84Å; F1532-D1574 HydrophobicContact CE1-CB 4.14Å
1533	T	62.2	Low	58.3	Low	122 Å²	122	104.2 Å²	104.2	75%	0.748	55%	0.548	S	S	*	.	S	Bend	trans	-68.4	-20.6	-179.2	48.3	0	0	0	0	114.7	D1574	T1533-D1574 PolarHBondContact N-OD2 3.4Å; T1533-D1574 VanDerWaalsContact N-OD2 3.11Å; T1533-D1574 PolarHBondContact OG1-OD2 3.39Å; T1533-D1574 VanDerWaalsContact OG1-OD2 3.09Å
1534	S	59.4	Low	57.8	Low	107 Å²	107	105.1 Å²	105.1	75%	0.748	56%	0.555	S	S	*	*	S	Bend	trans	-161	13.8	-173.4	52.3	0	0	0	0	116.6	F1532	F1532-S1534 VanDerWaalsContact C-N 3.27Å; F1532-S1534 PolarHBondContact O-N 2.92Å
1535	V	57.9	Low	57.4	Low	60 Å²	60	99.9 Å²	99.9	36%	0.364	53%	0.534	S	S	.	.			trans	-129.1	135	-169.2	-172.2	0	0	0	0	112.9	N1530 F1532 L1551	N1530-V1535 PolarHBondContact ND2-O 3.16Å; F1532-V1535 HydrophobicContact CB-CB 4.27Å; V1535-L1551 HydrophobicContact CB-CD1 4.39Å; V1535-L1551 HydrophobicContact CG1-CD1 4.12Å; V1535-L1551 HydrophobicContact CG1-CD2 4.11Å
1536	E	54.1	Low	57.3	Low	191 Å²	191	97.1 Å²	97.1	89%	0.893	51%	0.509	S	S	*	.			trans	-81	120.1	164	-67.8	-171.5	143.7	0	0	109.9
1537	A	51.2	Low	57.4	Low	34 Å²	34	98.6 Å²	98.6	28%	0.281	51%	0.506	S	S	.	.			trans	-105.4	134.6	177.5	0	0	0	0	0	111.8	F1532	F1532-A1537 HydrophobicContact CD2-CB 3.89Å; F1532-A1537 HydrophobicContact CE2-CB 3.41Å; F1532-A1537 VanDerWaalsContact CE2-CB 3.41Å; F1532-A1537 HydrophobicContact CZ-CB 4.44Å
1538	Q	52.3	Low	56.9	Low	202 Å²	202	99.9 Å²	99.9	94%	0.944	51%	0.511	S	S	*	.			trans	-97.3	129.7	170.7	-63.1	-177.6	0.5	0	0	109
1539	F	48.1	Very low	56.9	Low	78 Å²	78	97.9 Å²	97.9	34%	0.342	50%	0.495	S	S	.	.			trans	-127.6	152.6	-174	170	-109.2	0	0	0	111.9	Q1541 C1559 I1570 F1572	F1539-Q1541 HydrophobicContact CE1-CB 3.75Å; F1539-Q1541 HydrophobicContact CZ-CB 3.74Å; F1539-Q1541 HydrophobicContact CZ-CG 4.26Å; F1539-C1559 WeakPolarHBondContact CE2-SG 3.4Å; F1539-I1570 HydrophobicContact CE1-CD1 4.13Å; F1539-I1570 HydrophobicContact CE1-CG2 4.45Å; F1539-F1572 HydrophobicContact CB-CE1 3.58Å; F1539-F1572 HydrophobicContact CB-CZ 3.42Å; F1539-F1572 VanDerWaalsContact CB-CZ 3.42Å; F1539-F1572 HydrophobicContact CD1-CE1 4.25Å; F1539-F1572 AromaticContact CD1-CZ 3.71Å; F1539-F1572 HydrophobicContact CD1-CZ 3.71Å; F1539-F1572 AromaticContact CD2-CE1 3.68Å; F1539-F1572 HydrophobicContact CD2-CE1 3.68Å; F1539-F1572 HydrophobicContact CD2-CZ 4.01Å; F1539-F1572 HydrophobicContact CE1-CZ 4.45Å; F1539-F1572 HydrophobicContact CE2-CE1 4.43Å; F1539-F1572 AromaticContact CG-CE1 3.56Å; F1539-F1572 HydrophobicContact CG-CE1 3.56Å; F1539-F1572 AromaticContact CG-CZ 3.43Å; F1539-F1572 HydrophobicContact CG-CZ 3.43Å; F1539-F1572 VanDerWaalsContact CG-CZ 3.43Å
1540	K	55.1	Low	56.2	Low	173 Å²	173	101 Å²	101	75%	0.752	51%	0.506	S	S	*	.			trans	-147.1	106.2	177.4	-167.6	174.1	-173.9	177.2	0	110.3	T1542	K1540-T1542 PolarHBondContact O-N 2.85Å
1541	Q	47.6	Very low	55.4	Low	97 Å²	97	99.9 Å²	99.9	45%	0.453	50%	0.5	S	S	.	.			trans	-65.6	121.7	-178.6	-169.2	173.4	-8.1	0	0	111	F1539 D1544	F1539-Q1541 HydrophobicContact CE1-CB 3.75Å; F1539-Q1541 HydrophobicContact CZ-CB 3.74Å; F1539-Q1541 HydrophobicContact CZ-CG 4.26Å; Q1541-D1544 PolarHBondContact NE2-OD1 2.87Å
1542	T	48.9	Very low	54.5	Low	96 Å²	96	98 Å²	98	59%	0.589	50%	0.501	S	S	*	.			trans	-128.9	-13.2	176.5	64.6	0	0	0	0	114.6	K1540	K1540-T1542 PolarHBondContact O-N 2.85Å
1543	Y	45.4	Very low	53.9	Low	197 Å²	197	108.6 Å²	108.6	77%	0.773	54%	0.54	S	S	*	.			trans	-148.9	151.6	177	-130.3	-100.6	0	0	0	111	G1545	Y1543-G1545 PolarHBondContact O-N 2.8Å
1544	D	49	Very low	53.7	Low	99 Å²	99	109.4 Å²	109.4	53%	0.529	54%	0.54	S	S	.	.	S	Bend	trans	-84.3	90	162.5	-87.9	7.3	0	0	0	107.8	Q1541 R1568	Q1541-D1544 PolarHBondContact NE2-OD1 2.87Å; D1544-R1568 IonicContact OD1-CZ 3.86Å; D1544-R1568 IonicContact OD1-NH1 3.08Å; D1544-R1568 PolarHBondContact OD1-NH1 2.79Å; D1544-R1568 IonicContact OD1-NH2 3.94Å; D1544-R1568 PolarHBondContact OD1-NH2 2.88Å; D1544-R1568 IonicContact OD2-CZ 3.46Å; D1544-R1568 IonicContact OD2-NH1 3.68Å; D1544-R1568 PolarHBondContact OD2-NH1 2.98Å; D1544-R1568 VanDerWaalsContact OD2-NH1 3.08Å; D1544-R1568 IonicContact OD2-NH2 3.54Å
1545	G	49.2	Very low	53.9	Low	26 Å²	26	110.6 Å²	110.6	27%	0.268	53%	0.533	S	S	.	.	S	Bend	trans	-179.6	-172.5	-176.3	0	0	0	0	0	113.3	Y1543	Y1543-G1545 PolarHBondContact O-N 2.8Å
1546	Y	50.1	Low	54.3	Low	59 Å²	59	110.1 Å²	110.1	23%	0.231	53%	0.532	C	S	.	.			trans	-83.9	138.5	175.8	158.2	-85.8	0	0	0	112.7	E1548 Y1558 R1583 E1587	Y1546-E1548 HydrophobicContact CE1-CB 4.03Å; Y1546-Y1558 HydrophobicContact CE2-CD1 4.43Å; Y1546-R1583 HydrophobicContact CD2-CG 4.47Å; Y1546-E1587 PolarHBondContact N-OE1 3.48Å
1547	E	58.8	Low	55.1	Low	90 Å²	90	101 Å²	101	42%	0.421	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.1	163.7	-72.1	-168.6	132	0	0	111.4	C1559	E1547-C1559 PolarHBondContact O-N 2.8Å
1548	E	54.9	Low	56.1	Low	100 Å²	100	99.9 Å²	99.9	47%	0.467	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.8	167.9	178.7	172.1	-142.4	0	0	108.1	Y1546 Y1558	Y1546-E1548 HydrophobicContact CE1-CB 4.03Å; E1548-Y1558 HydrophobicContact CB-CD1 4.49Å; E1548-Y1558 HydrophobicContact CG-CD1 4.28Å; E1548-Y1558 HydrophobicContact CG-CE1 3.95Å
1549	F	64.4	Low	57	Low	57 Å²	57	90.6 Å²	90.6	25%	0.25	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155	-178	64.4	-83.1	0	0	0	110.9	F1532 L1551 A1557 C1559	F1532-F1549 HydrophobicContact CZ-CE2 4.45Å; F1532-F1549 AromaticContact CZ-CZ 3.97Å; F1532-F1549 HydrophobicContact CZ-CZ 3.97Å; F1549-L1551 HydrophobicContact CD2-CD2 4.49Å; F1549-L1551 HydrophobicContact CE2-CD2 3.9Å; F1549-L1551 HydrophobicContact CE2-CG 4.07Å; F1549-A1557 WeakPolarHBondContact CD1-O 3.35Å; F1549-A1557 HydrophobicContact CD2-CB 4.08Å; F1549-A1557 HydrophobicContact CE1-CB 4.32Å; F1549-A1557 HydrophobicContact CE2-CB 3.69Å; F1549-A1557 HydrophobicContact CZ-CB 3.83Å; F1549-A1557 PolarHBondContact N-O 2.77Å; F1549-A1557 CarbonylContact O-C 3.46Å; F1549-A1557 WeakPolarHBondContact O-CA 3.2Å; F1549-A1557 PolarHBondContact O-N 3.12Å; F1549-C1559 HydrophobicContact CD1-CB 4.46Å; F1549-C1559 HydrophobicContact CE1-CB 3.75Å
1550	F	55.5	Low	58.1	Low	129 Å²	129	87.2 Å²	87.2	57%	0.566	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.2	-178.1	-73.1	-91.7	0	0	0	109.9	A1552 H1555 P1556	F1550-A1552 VanDerWaalsContact C-N 3.28Å; F1550-H1555 WeakPolarHBondContact CA-O 3.45Å; F1550-P1556 HydrophobicContact CD1-CB 4.29Å; F1550-P1556 HydrophobicContact CE1-CB 3.89Å; F1550-P1556 HydrophobicContact CZ-CB 4.32Å
1551	L	54.3	Low	59	Low	68 Å²	68	79.6 Å²	79.6	36%	0.356	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-28.1	174	-77	172	0	0	0	111.7	F1532 V1535 F1549 H1555 A1557	F1532-L1551 HydrophobicContact CD1-CD1 4.04Å; F1532-L1551 HydrophobicContact CE1-CD1 3.7Å; F1532-L1551 HydrophobicContact CE2-CD1 4.47Å; F1532-L1551 HydrophobicContact CZ-CD1 3.96Å; V1535-L1551 HydrophobicContact CB-CD1 4.39Å; V1535-L1551 HydrophobicContact CG1-CD1 4.12Å; V1535-L1551 HydrophobicContact CG1-CD2 4.11Å; F1549-L1551 HydrophobicContact CD2-CD2 4.49Å; F1549-L1551 HydrophobicContact CE2-CD2 3.9Å; F1549-L1551 HydrophobicContact CE2-CG 4.07Å; L1551-H1555 PolarHBondContact N-O 3.09Å; L1551-H1555 VanDerWaalsContact N-O 3.08Å; L1551-A1557 HydrophobicContact CD1-CB 3.65Å; L1551-A1557 HydrophobicContact CG-CB 3.67Å
1552	A	57.3	Low	59.8	Low	57 Å²	57	77.6 Å²	77.6	47%	0.471	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	170.5	170.3	0	0	0	0	0	109.5	F1550 D1554 H1555	F1550-A1552 VanDerWaalsContact C-N 3.28Å; A1552-D1554 PolarHBondContact O-N 3.41Å; A1552-H1555 PolarHBondContact O-N 3.23Å; A1552-H1555 VanDerWaalsContact O-N 3.07Å
1553	R	56.8	Low	60.4	Low	238 Å²	238	77.6 Å²	77.6	90%	0.898	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-28.8	-173	-79.8	-173.5	174.9	177.2	-0.9	115.7
1554	D	57.2	Low	61	Low	139 Å²	139	72.4 Å²	72.4	74%	0.743	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	19	-174.2	-54.8	-84.2	0	0	0	112.7	A1552	A1552-D1554 PolarHBondContact O-N 3.41Å
1555	H	64.2	Low	61.4	Low	132 Å²	132	69 Å²	69	61%	0.611	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	102.3	-179.5	-79.2	27.9	0	0	0	111.3	F1550 L1551 A1552	F1550-H1555 WeakPolarHBondContact CA-O 3.45Å; L1551-H1555 PolarHBondContact N-O 3.09Å; L1551-H1555 VanDerWaalsContact N-O 3.08Å; A1552-H1555 PolarHBondContact O-N 3.23Å; A1552-H1555 VanDerWaalsContact O-N 3.07Å
1556	P	66.9	Low	61.6	Low	50 Å²	50	77.3 Å²	77.3	33%	0.325	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	146.2	172.8	33.7	-34.8	0	0	0	110.5	F1550 Y1558	F1550-P1556 HydrophobicContact CD1-CB 4.29Å; F1550-P1556 HydrophobicContact CE1-CB 3.89Å; F1550-P1556 HydrophobicContact CZ-CB 4.32Å; P1556-Y1558 HydrophobicContact CB-CE1 4.45Å; P1556-Y1558 HydrophobicContact CB-CE2 4.48Å; P1556-Y1558 WeakPolarHBondContact CB-OH 3.37Å; P1556-Y1558 WeakPolarHBondContact CG-OH 3.39Å
1557	A	70.2	Confident	61.9	Low	0 Å²	0	77.8 Å²	77.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156	-179.9	0	0	0	0	0	109.2	F1532 F1549 L1551	F1532-A1557 HydrophobicContact CE1-CB 3.81Å; F1532-A1557 HydrophobicContact CZ-CB 3.95Å; F1549-A1557 WeakPolarHBondContact CD1-O 3.35Å; F1549-A1557 HydrophobicContact CD2-CB 4.08Å; F1549-A1557 HydrophobicContact CE1-CB 4.32Å; F1549-A1557 HydrophobicContact CE2-CB 3.69Å; F1549-A1557 HydrophobicContact CZ-CB 3.83Å; F1549-A1557 PolarHBondContact N-O 2.77Å; F1549-A1557 CarbonylContact O-C 3.46Å; F1549-A1557 WeakPolarHBondContact O-CA 3.2Å; F1549-A1557 PolarHBondContact O-N 3.12Å; L1551-A1557 HydrophobicContact CD1-CB 3.65Å; L1551-A1557 HydrophobicContact CG-CB 3.67Å
1558	Y	72	Confident	62	Low	10 Å²	10	76.5 Å²	76.5	4%	0.039	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.3	-163.4	-48.9	-80.7	0	0	0	111.7	Y1546 E1548 P1556 T1573 L1576 C1579	Y1546-Y1558 HydrophobicContact CE2-CD1 4.43Å; E1548-Y1558 HydrophobicContact CB-CD1 4.49Å; E1548-Y1558 HydrophobicContact CG-CD1 4.28Å; E1548-Y1558 HydrophobicContact CG-CE1 3.95Å; P1556-Y1558 HydrophobicContact CB-CE1 4.45Å; P1556-Y1558 HydrophobicContact CB-CE2 4.48Å; P1556-Y1558 WeakPolarHBondContact CB-OH 3.37Å; P1556-Y1558 WeakPolarHBondContact CG-OH 3.39Å; Y1558-T1573 PolarHBondContact N-O 3.16Å; Y1558-T1573 PolarHBondContact O-N 3.41Å; Y1558-L1576 HydrophobicContact CD1-CD1 4.45Å; Y1558-L1576 HydrophobicContact CE1-CD1 3.72Å; Y1558-L1576 VanDerWaalsContact CE2-CA 3.5Å; Y1558-L1576 HydrophobicContact CE2-CB 3.71Å; Y1558-L1576 HydrophobicContact CE2-CD1 4.27Å; Y1558-C1579 VanDerWaalsContact CB-SG 3.56Å; Y1558-C1579 HydrophobicContact CD1-CB 4.42Å; Y1558-C1579 HydrophobicContact CD2-CB 4.33Å; Y1558-C1579 HydrophobicContact CG-CB 3.8Å
1559	C	72	Confident	62.6	Low	7 Å²	7	71.8 Å²	71.8	5%	0.047	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.3	176.4	174.3	0	0	0	0	109.6	F1539 E1547 F1549 F1572	F1539-C1559 WeakPolarHBondContact CE2-SG 3.4Å; E1547-C1559 PolarHBondContact O-N 2.8Å; F1549-C1559 HydrophobicContact CD1-CB 4.46Å; F1549-C1559 HydrophobicContact CE1-CB 3.75Å; C1559-F1572 HydrophobicContact CB-CD1 3.92Å; C1559-F1572 HydrophobicContact CB-CE1 3.94Å; C1559-F1572 WeakPolarHBondContact SG-CE1 3.32Å
1560	I	71.1	Confident	62.9	Low	7 Å²	7	70.2 Å²	70.2	4%	0.036	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	145.8	169.9	-168.2	166.5	0	0	0	111.4	F1562 L1571 A1582 R1583	I1560-F1562 HydrophobicContact CG2-CD1 4.33Å; I1560-F1562 HydrophobicContact CG2-CE1 4.37Å; I1560-L1571 HydrophobicContact CG2-CB 4.04Å; I1560-L1571 HydrophobicContact CG2-CD2 4.37Å; I1560-L1571 PolarHBondContact N-O 3.41Å; I1560-L1571 VanDerWaalsContact N-O 3.07Å; I1560-L1571 PolarHBondContact O-N 2.82Å; I1560-A1582 HydrophobicContact CD1-CB 3.83Å; I1560-A1582 WeakPolarHBondContact CD1-O 3.43Å; I1560-A1582 HydrophobicContact CG2-CB 3.84Å; I1560-R1583 HydrophobicContact CD1-CB 4.09Å
1561	S	72.8	Confident	63.9	Low	14 Å²	14	65.1 Å²	65.1	10%	0.098	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.7	175.9	-168.2	0	0	0	0	110.3	R1568 T1569	S1561-R1568 PolarHBondContact OG-NE 2.92Å; S1561-R1568 PolarHBondContact OG-NH2 2.72Å; S1561-T1569 WeakPolarHBondContact CA-O 3.43Å; S1561-T1569 PolarHBondContact OG-O 2.67Å
1562	F	64.5	Low	64.9	Low	55 Å²	55	62.5 Å²	62.5	24%	0.241	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	169.4	-178.9	56.4	-87.6	0	0	0	110.7	I1560 T1569 L1571 Y1586	I1560-F1562 HydrophobicContact CG2-CD1 4.33Å; I1560-F1562 HydrophobicContact CG2-CE1 4.37Å; F1562-T1569 HydrophobicContact CE1-CG2 4.24Å; F1562-T1569 HydrophobicContact CE2-CG2 3.9Å; F1562-T1569 HydrophobicContact CZ-CG2 3.62Å; F1562-T1569 PolarHBondContact N-O 2.67Å; F1562-T1569 VanDerWaalsContact N-O 3.09Å; F1562-T1569 PolarHBondContact O-N 3.44Å; F1562-L1571 HydrophobicContact CE1-CB 3.99Å; F1562-L1571 HydrophobicContact CE1-CD2 4.46Å; F1562-Y1586 HydrophobicContact CB-CD2 3.96Å; F1562-Y1586 HydrophobicContact CB-CE2 4.06Å
1563	L	62.2	Low	65.9	Low	96 Å²	96	59.8 Å²	59.8	50%	0.503	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138.6	175.5	-73.7	164.8	0	0	0	110.2
1564	N	56.9	Low	67	Low	88 Å²	88	51.2 Å²	51.2	47%	0.471	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	103.6	171.3	-177.6	-0.2	0	0	0	107.7	R1566 Q1567 T1569	N1564-R1566 PolarHBondContact O-N 3.16Å; N1564-R1566 VanDerWaalsContact O-N 3.17Å; N1564-Q1567 PolarHBondContact N-O 3.29Å; N1564-Q1567 PolarHBondContact O-N 3.1Å; N1564-T1569 WeakPolarHBondContact CB-OG1 3.29Å
1565	G	59	Low	67.9	Low	27 Å²	27	48 Å²	48	28%	0.278	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	-115.8	-168.9	0	0	0	0	0	112	H1746	G1565-H1746 WeakPolarHBondContact CA-NE2 3.37Å
1566	R	52.5	Low	68.4	Low	201 Å²	201	45.8 Å²	45.8	76%	0.758	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-1.6	169	-66.1	-173	-175.5	164.8	7.3	113.4	N1564	N1564-R1566 PolarHBondContact O-N 3.16Å; N1564-R1566 VanDerWaalsContact O-N 3.17Å
1567	Q	57.4	Low	68.8	Low	69 Å²	69	45.8 Å²	45.8	32%	0.322	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.2	-177.2	-161.7	174.2	34.9	0	0	109.6	N1564 T1569	N1564-Q1567 PolarHBondContact N-O 3.29Å; N1564-Q1567 PolarHBondContact O-N 3.1Å; Q1567-T1569 PolarHBondContact O-N 3.44Å
1568	R	60	Low	69.1	Low	63 Å²	63	47.6 Å²	47.6	24%	0.238	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	127	172	-166.2	85.3	-177.5	-139.9	-8.3	108	M1527 D1544 S1561	M1527-R1568 PolarHBondContact N-O 2.96Å; D1544-R1568 IonicContact OD1-CZ 3.86Å; D1544-R1568 IonicContact OD1-NH1 3.08Å; D1544-R1568 PolarHBondContact OD1-NH1 2.79Å; D1544-R1568 IonicContact OD1-NH2 3.94Å; D1544-R1568 PolarHBondContact OD1-NH2 2.88Å; D1544-R1568 IonicContact OD2-CZ 3.46Å; D1544-R1568 IonicContact OD2-NH1 3.68Å; D1544-R1568 PolarHBondContact OD2-NH1 2.98Å; D1544-R1568 VanDerWaalsContact OD2-NH1 3.08Å; D1544-R1568 IonicContact OD2-NH2 3.54Å; S1561-R1568 PolarHBondContact OG-NE 2.92Å; S1561-R1568 PolarHBondContact OG-NH2 2.72Å
1569	T	67.1	Low	69	Low	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.6	175.9	-56	0	0	0	0	109.2	M1527 I1529 S1561 F1562 N1564 Q1567	M1527-T1569 HydrophobicContact CE-CG2 4.4Å; I1529-T1569 HydrophobicContact CD1-CG2 3.86Å; I1529-T1569 HydrophobicContact CG1-CG2 4.35Å; S1561-T1569 WeakPolarHBondContact CA-O 3.43Å; S1561-T1569 PolarHBondContact OG-O 2.67Å; F1562-T1569 HydrophobicContact CE1-CG2 4.24Å; F1562-T1569 HydrophobicContact CE2-CG2 3.9Å; F1562-T1569 HydrophobicContact CZ-CG2 3.62Å; F1562-T1569 PolarHBondContact N-O 2.67Å; F1562-T1569 VanDerWaalsContact N-O 3.09Å; F1562-T1569 PolarHBondContact O-N 3.44Å; N1564-T1569 WeakPolarHBondContact CB-OG1 3.29Å; Q1567-T1569 PolarHBondContact O-N 3.44Å
1570	I	71.9	Confident	68.7	Low	24 Å²	24	49.2 Å²	49.2	12%	0.123	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.9	173.5	-54.5	177.6	0	0	0	107.7	M1527 I1529 F1539 F1572	M1527-I1570 PolarHBondContact O-N 3.43Å; I1529-I1570 PolarHBondContact N-O 2.84Å; F1539-I1570 HydrophobicContact CE1-CD1 4.13Å; F1539-I1570 HydrophobicContact CE1-CG2 4.45Å; I1570-F1572 HydrophobicContact CG2-CD2 4.37Å; I1570-F1572 HydrophobicContact CG2-CE1 4.23Å; I1570-F1572 HydrophobicContact CG2-CE2 3.65Å; I1570-F1572 HydrophobicContact CG2-CZ 3.55Å
1571	L	75	Confident	68.6	Low	21 Å²	21	53.2 Å²	53.2	11%	0.11	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.9	-178.1	176.3	63.3	0	0	0	109.8	I1529 H1531 I1560 F1562 V1578	I1529-L1571 HydrophobicContact CB-CD1 4.1Å; I1529-L1571 HydrophobicContact CG2-CD1 3.8Å; H1531-L1571 HydrophobicContact CB-CD1 4.14Å; I1560-L1571 HydrophobicContact CG2-CB 4.04Å; I1560-L1571 HydrophobicContact CG2-CD2 4.37Å; I1560-L1571 PolarHBondContact N-O 3.41Å; I1560-L1571 VanDerWaalsContact N-O 3.07Å; I1560-L1571 PolarHBondContact O-N 2.82Å; F1562-L1571 HydrophobicContact CE1-CB 3.99Å; F1562-L1571 HydrophobicContact CE1-CD2 4.46Å; L1571-V1578 HydrophobicContact CD2-CG1 3.87Å
1572	F	76.6	Confident	68.3	Low	13 Å²	13	53.3 Å²	53.3	6%	0.057	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.3	171.7	-59.7	-76.2	0	0	0	110	V1528 I1529 H1531 F1532 F1539 C1559 I1570	V1528-F1572 HydrophobicContact CG1-CD2 4.26Å; V1528-F1572 HydrophobicContact CG1-CE2 3.85Å; I1529-F1572 PolarHBondContact O-N 3.24Å; I1529-F1572 VanDerWaalsContact O-N 3.08Å; H1531-F1572 WeakPolarHBondContact CA-O 3.49Å; H1531-F1572 WeakPolarHBondContact CB-O 3.28Å; H1531-F1572 PolarHBondContact N-O 3.03Å; F1532-F1572 HydrophobicContact CD2-CB 4.14Å; F1532-F1572 HydrophobicContact CE2-CB 3.5Å; F1532-F1572 HydrophobicContact CE2-CG 4.3Å; F1532-F1572 HydrophobicContact CZ-CB 3.95Å; F1539-F1572 HydrophobicContact CB-CE1 3.58Å; F1539-F1572 HydrophobicContact CB-CZ 3.42Å; F1539-F1572 VanDerWaalsContact CB-CZ 3.42Å; F1539-F1572 HydrophobicContact CD1-CE1 4.25Å; F1539-F1572 AromaticContact CD1-CZ 3.71Å; F1539-F1572 HydrophobicContact CD1-CZ 3.71Å; F1539-F1572 AromaticContact CD2-CE1 3.68Å; F1539-F1572 HydrophobicContact CD2-CE1 3.68Å; F1539-F1572 HydrophobicContact CD2-CZ 4.01Å; F1539-F1572 HydrophobicContact CE1-CZ 4.45Å; F1539-F1572 HydrophobicContact CE2-CE1 4.43Å; F1539-F1572 AromaticContact CG-CE1 3.56Å; F1539-F1572 HydrophobicContact CG-CE1 3.56Å; F1539-F1572 AromaticContact CG-CZ 3.43Å; F1539-F1572 HydrophobicContact CG-CZ 3.43Å; F1539-F1572 VanDerWaalsContact CG-CZ 3.43Å; C1559-F1572 HydrophobicContact CB-CD1 3.92Å; C1559-F1572 HydrophobicContact CB-CE1 3.94Å; C1559-F1572 WeakPolarHBondContact SG-CE1 3.32Å; I1570-F1572 HydrophobicContact CG2-CD2 4.37Å; I1570-F1572 HydrophobicContact CG2-CE1 4.23Å; I1570-F1572 HydrophobicContact CG2-CE2 3.65Å; I1570-F1572 HydrophobicContact CG2-CZ 3.55Å
1573	T	78.6	Confident	68.3	Low	1 Å²	1	54.4 Å²	54.4	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	144.7	-177	-171.7	0	0	0	0	112.6	F1532 Y1558 D1575 V1578 C1579	F1532-T1573 WeakPolarHBondContact CE1-O 3.47Å; Y1558-T1573 PolarHBondContact N-O 3.16Å; Y1558-T1573 PolarHBondContact O-N 3.41Å; T1573-D1575 WeakPolarHBondContact CG2-O 3.25Å; T1573-D1575 PolarHBondContact OG1-N 2.93Å; T1573-D1575 VanDerWaalsContact OG1-N 3.09Å; T1573-V1578 HydrophobicContact CG2-CB 4.08Å; T1573-V1578 HydrophobicContact CG2-CG1 4Å; T1573-C1579 HydrophobicContact CG2-CB 3.92Å
1574	D	79	Confident	68.2	Low	57 Å²	57	54.9 Å²	54.9	31%	0.305	28%	0.279	S	S	.	.	S	Bend	trans	-81.1	-17.8	167.2	36.9	20.7	0	0	0	111.7	F1532 T1533	F1532-D1574 HydrophobicContact CD1-CB 3.84Å; F1532-D1574 HydrophobicContact CE1-CB 4.14Å; T1533-D1574 PolarHBondContact N-OD2 3.4Å; T1533-D1574 VanDerWaalsContact N-OD2 3.11Å; T1533-D1574 PolarHBondContact OG1-OD2 3.39Å; T1533-D1574 VanDerWaalsContact OG1-OD2 3.09Å
1575	D	76.5	Confident	68.4	Low	73 Å²	73	56.1 Å²	56.1	39%	0.39	29%	0.285	S	S	.	.			trans	-88.2	112.3	-179.2	-171.8	-1.5	0	0	0	112.5	T1573 A1577 V1578 C1579	T1573-D1575 WeakPolarHBondContact CG2-O 3.25Å; T1573-D1575 PolarHBondContact OG1-N 2.93Å; T1573-D1575 VanDerWaalsContact OG1-N 3.09Å; D1575-A1577 PolarHBondContact O-N 2.77Å; D1575-A1577 VanDerWaalsContact OD1-CB 3.28Å; D1575-A1577 WeakPolarHBondContact OD1-CB 3.39Å; D1575-A1577 PolarHBondContact OD1-N 2.87Å; D1575-V1578 HydrophobicContact CB-CB 4.11Å; D1575-V1578 HydrophobicContact CB-CG2 3.91Å; D1575-V1578 PolarHBondContact O-N 3.37Å; D1575-C1579 PolarHBondContact O-N 3.32Å; D1575-C1579 VanDerWaalsContact O-N 3.16Å
1576	L	74.9	Confident	68.3	Low	85 Å²	85	59.4 Å²	59.4	45%	0.445	29%	0.29	S	S	.	.	H	α-helix	trans	-55.5	-33.9	172.4	175.4	59.9	0	0	0	112.3	Y1558 T1580	Y1558-L1576 HydrophobicContact CD1-CD1 4.45Å; Y1558-L1576 HydrophobicContact CE1-CD1 3.72Å; Y1558-L1576 VanDerWaalsContact CE2-CA 3.5Å; Y1558-L1576 HydrophobicContact CE2-CB 3.71Å; Y1558-L1576 HydrophobicContact CE2-CD1 4.27Å; L1576-T1580 WeakPolarHBondContact CD1-OG1 3.19Å; L1576-T1580 WeakPolarHBondContact O-CB 3.41Å; L1576-T1580 PolarHBondContact O-N 2.86Å; L1576-T1580 PolarHBondContact O-OG1 3.42Å
1577	A	75	Confident	68.4	Low	49 Å²	49	54.2 Å²	54.2	41%	0.405	27%	0.274	S	S	.	.	H	α-helix	trans	-68.2	-43.4	178.3	0	0	0	0	0	111.3	D1575 T1580 N1581	D1575-A1577 PolarHBondContact O-N 2.77Å; D1575-A1577 VanDerWaalsContact OD1-CB 3.28Å; D1575-A1577 WeakPolarHBondContact OD1-CB 3.39Å; D1575-A1577 PolarHBondContact OD1-N 2.87Å; A1577-T1580 PolarHBondContact O-N 3.17Å; A1577-N1581 VanDerWaalsContact O-CB 3.3Å; A1577-N1581 WeakPolarHBondContact O-CB 3.42Å; A1577-N1581 PolarHBondContact O-N 2.83Å; A1577-N1581 PolarHBondContact O-ND2 2.85Å
1578	V	75.6	Confident	68	Low	38 Å²	38	56.5 Å²	56.5	23%	0.23	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-46.3	176.9	172.8	0	0	0	0	111	L1571 T1573 D1575 A1582	L1571-V1578 HydrophobicContact CD2-CG1 3.87Å; T1573-V1578 HydrophobicContact CG2-CB 4.08Å; T1573-V1578 HydrophobicContact CG2-CG1 4Å; D1575-V1578 HydrophobicContact CB-CB 4.11Å; D1575-V1578 HydrophobicContact CB-CG2 3.91Å; D1575-V1578 PolarHBondContact O-N 3.37Å; V1578-A1582 WeakPolarHBondContact O-CB 3.34Å; V1578-A1582 PolarHBondContact O-N 3.14Å
1579	C	70.7	Confident	67.8	Low	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.8	-43.3	175.8	-178.3	0	0	0	0	112.8	Y1558 T1573 D1575 N1581 A1582 R1583	Y1558-C1579 VanDerWaalsContact CB-SG 3.56Å; Y1558-C1579 HydrophobicContact CD1-CB 4.42Å; Y1558-C1579 HydrophobicContact CD2-CB 4.33Å; Y1558-C1579 HydrophobicContact CG-CB 3.8Å; T1573-C1579 HydrophobicContact CG2-CB 3.92Å; D1575-C1579 PolarHBondContact O-N 3.32Å; D1575-C1579 VanDerWaalsContact O-N 3.16Å; C1579-N1581 VanDerWaalsContact C-N 3.32Å; C1579-N1581 PolarHBondContact O-N 3.42Å; C1579-A1582 PolarHBondContact O-N 3.49Å; C1579-R1583 WeakPolarHBondContact O-CB 3.28Å; C1579-R1583 PolarHBondContact O-N 3.05Å
1580	T	66.2	Low	67.2	Low	51 Å²	51	59 Å²	59	31%	0.313	32%	0.315	S	S	.	.	H	α-helix	trans	-60.6	-43.8	-179.7	-61.9	0	0	0	0	110.9	L1576 A1577 R1583 Q1584	L1576-T1580 WeakPolarHBondContact CD1-OG1 3.19Å; L1576-T1580 WeakPolarHBondContact O-CB 3.41Å; L1576-T1580 PolarHBondContact O-N 2.86Å; L1576-T1580 PolarHBondContact O-OG1 3.42Å; A1577-T1580 PolarHBondContact O-N 3.17Å; T1580-R1583 PolarHBondContact O-N 3.2Å; T1580-Q1584 HydrophobicContact CG2-CG 4.46Å; T1580-Q1584 WeakPolarHBondContact O-CB 3.31Å; T1580-Q1584 VanDerWaalsContact O-CG 3.24Å; T1580-Q1584 WeakPolarHBondContact O-CG 3.4Å; T1580-Q1584 PolarHBondContact O-N 3.4Å
1581	N	68.5	Low	66.6	Low	92 Å²	92	59.2 Å²	59.2	49%	0.492	32%	0.32	S	S	.	.	H	α-helix	trans	-58.8	-52.3	173.2	-70.3	-20.2	0	0	0	111	A1577 C1579 R1583 Q1584 I1585	A1577-N1581 VanDerWaalsContact O-CB 3.3Å; A1577-N1581 WeakPolarHBondContact O-CB 3.42Å; A1577-N1581 PolarHBondContact O-N 2.83Å; A1577-N1581 PolarHBondContact O-ND2 2.85Å; C1579-N1581 VanDerWaalsContact C-N 3.32Å; C1579-N1581 PolarHBondContact O-N 3.42Å; N1581-R1583 VanDerWaalsContact C-N 3.3Å; N1581-R1583 PolarHBondContact O-N 2.89Å; N1581-Q1584 PolarHBondContact O-N 3.02Å; N1581-I1585 WeakPolarHBondContact O-CD1 3.34Å; N1581-I1585 VanDerWaalsContact O-CG1 3.3Å; N1581-I1585 WeakPolarHBondContact O-CG1 3.47Å; N1581-I1585 PolarHBondContact O-N 3.44Å
1582	A	66.7	Low	66.4	Low	16 Å²	16	63.3 Å²	63.3	13%	0.132	34%	0.342	C	S	.	.	H	α-helix	trans	-62.5	-34.1	-179.2	0	0	0	0	0	113	I1560 V1578 C1579 I1585 Y1586	I1560-A1582 HydrophobicContact CD1-CB 3.83Å; I1560-A1582 WeakPolarHBondContact CD1-O 3.43Å; I1560-A1582 HydrophobicContact CG2-CB 3.84Å; V1578-A1582 WeakPolarHBondContact O-CB 3.34Å; V1578-A1582 PolarHBondContact O-N 3.14Å; C1579-A1582 PolarHBondContact O-N 3.49Å; A1582-I1585 PolarHBondContact O-N 3.33Å; A1582-Y1586 PolarHBondContact O-N 3.16Å
1583	R	63.3	Low	66	Low	77 Å²	77	64.6 Å²	64.6	29%	0.291	35%	0.353	S	S	.	.	H	α-helix	trans	-71.3	-39.9	175.5	-171.7	-172.8	-176.5	167.5	8.3	112.3	Y1546 I1560 C1579 T1580 N1581 I1585 Y1586 E1587 L1588	Y1546-R1583 HydrophobicContact CD2-CG 4.47Å; I1560-R1583 HydrophobicContact CD1-CB 4.09Å; C1579-R1583 WeakPolarHBondContact O-CB 3.28Å; C1579-R1583 PolarHBondContact O-N 3.05Å; T1580-R1583 PolarHBondContact O-N 3.2Å; N1581-R1583 VanDerWaalsContact C-N 3.3Å; N1581-R1583 PolarHBondContact O-N 2.89Å; R1583-I1585 PolarHBondContact O-N 3.4Å; R1583-Y1586 PolarHBondContact O-N 3.47Å; R1583-Y1586 VanDerWaalsContact O-N 3.11Å; R1583-E1587 HydrophobicContact CG-CB 4.37Å; R1583-E1587 IonicContact CZ-OE2 2.99Å; R1583-E1587 IonicContact NE-OE2 3.14Å; R1583-E1587 PolarHBondContact NE-OE2 3.38Å; R1583-E1587 IonicContact NH2-OE1 2.68Å; R1583-E1587 IonicContact NH2-OE2 2.72Å; R1583-E1587 PolarHBondContact NH2-OE2 3.04Å; R1583-E1587 PolarHBondContact O-N 3.34Å; R1583-L1588 PolarHBondContact O-N 3.27Å
1584	Q	60.5	Low	66	Low	106 Å²	106	68.5 Å²	68.5	50%	0.495	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-15	172.9	-72.6	174.3	2.3	0	0	112.7	T1580 N1581 L1588 E1589	T1580-Q1584 HydrophobicContact CG2-CG 4.46Å; T1580-Q1584 WeakPolarHBondContact O-CB 3.31Å; T1580-Q1584 VanDerWaalsContact O-CG 3.24Å; T1580-Q1584 WeakPolarHBondContact O-CG 3.4Å; T1580-Q1584 PolarHBondContact O-N 3.4Å; N1581-Q1584 PolarHBondContact O-N 3.02Å; Q1584-L1588 CarbonylContact O-C 3.6Å; Q1584-E1589 VanDerWaalsContact O-CA 3.26Å; Q1584-E1589 WeakPolarHBondContact O-CA 3.38Å; Q1584-E1589 PolarHBondContact O-N 3.49Å
1585	I	61.1	Low	65.8	Low	115 Å²	115	68 Å²	68	59%	0.59	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-18.2	171.6	-69.6	162.7	0	0	0	112.1	N1581 A1582 R1583	N1581-I1585 WeakPolarHBondContact O-CD1 3.34Å; N1581-I1585 VanDerWaalsContact O-CG1 3.3Å; N1581-I1585 WeakPolarHBondContact O-CG1 3.47Å; N1581-I1585 PolarHBondContact O-N 3.44Å; A1582-I1585 PolarHBondContact O-N 3.33Å; R1583-I1585 PolarHBondContact O-N 3.4Å
1586	Y	57.4	Low	65.8	Low	95 Å²	95	69.7 Å²	69.7	37%	0.373	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-44	-166.8	-154.3	-97.8	0	0	0	117.3	F1562 A1582 R1583	F1562-Y1586 HydrophobicContact CB-CD2 3.96Å; F1562-Y1586 HydrophobicContact CB-CE2 4.06Å; A1582-Y1586 PolarHBondContact O-N 3.16Å; R1583-Y1586 PolarHBondContact O-N 3.47Å; R1583-Y1586 VanDerWaalsContact O-N 3.11Å
1587	E	53.6	Low	65.9	Low	93 Å²	93	66.9 Å²	66.9	44%	0.435	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-45.7	176.6	-82.7	-171.1	169.9	0	0	112	Y1546 R1583	Y1546-E1587 PolarHBondContact N-OE1 3.48Å; R1583-E1587 HydrophobicContact CG-CB 4.37Å; R1583-E1587 IonicContact CZ-OE2 2.99Å; R1583-E1587 IonicContact NE-OE2 3.14Å; R1583-E1587 PolarHBondContact NE-OE2 3.38Å; R1583-E1587 IonicContact NH2-OE1 2.68Å; R1583-E1587 IonicContact NH2-OE2 2.72Å; R1583-E1587 PolarHBondContact NH2-OE2 3.04Å; R1583-E1587 PolarHBondContact O-N 3.34Å
1588	L	50.2	Low	66.2	Low	117 Å²	117	67.4 Å²	67.4	61%	0.613	36%	0.363	S	S	*	.	S	Bend	trans	-113.6	52.2	-179.8	-76.1	167.9	0	0	0	108.1	R1583 Q1584 A1590	R1583-L1588 PolarHBondContact O-N 3.27Å; Q1584-L1588 CarbonylContact O-C 3.6Å; L1588-A1590 VanDerWaalsContact C-N 3.28Å; L1588-A1590 PolarHBondContact O-N 2.76Å
1589	E	56	Low	66.2	Low	43 Å²	43	69 Å²	69	20%	0.201	37%	0.37	C	S	.	.			trans	-54.7	101.9	164.3	-157.4	-166.6	-171.7	0	0	106.5	Q1584 A1591 S1686 Q1687 H1688	Q1584-E1589 VanDerWaalsContact O-CA 3.26Å; Q1584-E1589 WeakPolarHBondContact O-CA 3.38Å; Q1584-E1589 PolarHBondContact O-N 3.49Å; E1589-A1591 PolarHBondContact O-N 2.94Å; E1589-S1686 VanDerWaalsContact OE2-CB 3.24Å; E1589-S1686 WeakPolarHBondContact OE2-CB 3.31Å; E1589-S1686 PolarHBondContact OE2-OG 2.88Å; E1589-Q1687 WeakPolarHBondContact OE1-CA 3.09Å; E1589-Q1687 WeakPolarHBondContact OE1-CB 3.47Å; E1589-Q1687 PolarHBondContact OE1-N 2.88Å; E1589-Q1687 VanDerWaalsContact OE1-N 3.08Å; E1589-H1688 IonicContact OE1-CE1 2.7Å; E1589-H1688 IonicContact OE1-CG 3.71Å; E1589-H1688 PolarHBondContact OE1-N 3.42Å; E1589-H1688 VanDerWaalsContact OE1-N 3.08Å; E1589-H1688 IonicContact OE1-ND1 2.66Å; E1589-H1688 PolarHBondContact OE1-ND1 3.17Å; E1589-H1688 PolarHBondContact OE2-N 3.2Å; E1589-H1688 IonicContact OE2-ND1 2.69Å
1590	A	54.4	Low	66.6	Low	73 Å²	73	74.3 Å²	74.3	60%	0.603	40%	0.395	S	S	*	.			trans	-62.6	134.1	-172.9	0	0	0	0	0	107.3	L1588 D1592	L1588-A1590 VanDerWaalsContact C-N 3.28Å; L1588-A1590 PolarHBondContact O-N 2.76Å; A1590-D1592 PolarHBondContact O-N 3.44Å
1591	A	59	Low	67	Low	29 Å²	29	73.9 Å²	73.9	24%	0.24	40%	0.4	C	S	.	.			trans	-66.5	99.7	177	0	0	0	0	0	108.5	E1589 S1593 E1594 R1684 Q1685	E1589-A1591 PolarHBondContact O-N 2.94Å; A1591-S1593 CarbonylContact O-C 3.51Å; A1591-S1593 WeakPolarHBondContact O-CA 3.1Å; A1591-S1593 PolarHBondContact O-N 2.91Å; A1591-E1594 HydrophobicContact CB-CB 4Å; A1591-R1684 HydrophobicContact CB-CB 4.02Å; A1591-Q1685 CarbonylContact C-O 3.58Å; A1591-Q1685 WeakPolarHBondContact CA-O 3.48Å
1592	D	70.9	Confident	67.5	Low	107 Å²	107	71.4 Å²	71.4	57%	0.572	39%	0.389	S	S	*	.	S	Bend	trans	-42.1	-33.2	170.4	-66	-54.7	0	0	0	111.2	A1590 Q1685 S1686 Q1687	A1590-D1592 PolarHBondContact O-N 3.44Å; D1592-Q1685 PolarHBondContact N-O 2.71Å; D1592-S1686 VanDerWaalsContact OD2-CA 3.28Å; D1592-S1686 WeakPolarHBondContact OD2-CA 3.5Å; D1592-Q1687 VanDerWaalsContact OD2-CG 3.29Å; D1592-Q1687 WeakPolarHBondContact OD2-CG 3.14Å; D1592-Q1687 PolarHBondContact OD2-N 3.45Å; D1592-Q1687 VanDerWaalsContact OD2-N 3.11Å
1593	S	67.8	Low	68	Low	40 Å²	40	72.5 Å²	72.5	28%	0.28	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	126.3	152.4	61.1	0	0	0	0	113.3	A1591 R1684 Q1685	A1591-S1593 CarbonylContact O-C 3.51Å; A1591-S1593 WeakPolarHBondContact O-CA 3.1Å; A1591-S1593 PolarHBondContact O-N 2.91Å; S1593-R1684 WeakPolarHBondContact O-CA 3.19Å; S1593-Q1685 PolarHBondContact N-O 3.13Å; S1593-Q1685 PolarHBondContact O-N 2.99Å
1594	E	79	Confident	68.8	Low	82 Å²	82	74 Å²	74	38%	0.383	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.1	158.5	171.3	153.9	-146.5	0	0	110.2	A1591 Q1682 Y1683 R1684	A1591-E1594 HydrophobicContact CB-CB 4Å; E1594-Q1682 PolarHBondContact OE1-NE2 2.84Å; E1594-Y1683 CarbonylContact C-O 3.27Å; E1594-Y1683 WeakPolarHBondContact CA-O 3.32Å; E1594-R1684 HydrophobicContact CG-CG 4.23Å; E1594-R1684 IonicContact OE1-CZ 3.25Å; E1594-R1684 IonicContact OE1-NE 3.85Å; E1594-R1684 PolarHBondContact OE1-NE 2.79Å; E1594-R1684 IonicContact OE1-NH2 3.31Å; E1594-R1684 IonicContact OE2-CZ 3.99Å; E1594-R1684 VanDerWaalsContact OE2-CZ 3.27Å; E1594-R1684 IonicContact OE2-NE 3.53Å; E1594-R1684 PolarHBondContact OE2-NE 3.42Å; E1594-R1684 IonicContact OE2-NH2 2.72Å; E1594-R1684 PolarHBondContact OE2-NH2 3.11Å
1595	I	73.7	Confident	69.8	Low	46 Å²	46	70.4 Å²	70.4	24%	0.236	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	100.7	178.1	-49.9	177.9	0	0	0	107.9	V1597 L1681 Y1683 P1798 F1799	I1595-V1597 HydrophobicContact CG2-CG2 3.94Å; I1595-L1681 VanDerWaalsContact O-CD2 3.32Å; I1595-L1681 WeakPolarHBondContact O-CD2 3.4Å; I1595-Y1683 HydrophobicContact CB-CD1 4.5Å; I1595-Y1683 HydrophobicContact CD1-CD1 4.22Å; I1595-Y1683 HydrophobicContact CG1-CD1 4.27Å; I1595-Y1683 PolarHBondContact N-O 3.47Å; I1595-Y1683 PolarHBondContact O-N 2.79Å; I1595-P1798 HydrophobicContact CD1-CB 4.08Å; I1595-F1799 HydrophobicContact CG2-CE1 4.43Å; I1595-F1799 HydrophobicContact CG2-CZ 4.37Å
1596	L	77.6	Confident	70.6	Confident	109 Å²	109	67.3 Å²	67.3	57%	0.571	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	106.8	175.2	-178	71	0	0	0	110.2	T1680 Q1682	L1596-T1680 HydrophobicContact CD1-CG2 4.24Å; L1596-Q1682 HydrophobicContact CD1-CB 3.85Å; L1596-Q1682 HydrophobicContact CD1-CG 4.05Å
1597	V	76.1	Confident	71.5	Confident	26 Å²	26	64.4 Å²	64.4	16%	0.158	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	100.4	178.6	-177	0	0	0	0	109.4	I1595 L1599 T1680 L1681 F1799	I1595-V1597 HydrophobicContact CG2-CG2 3.94Å; V1597-L1599 HydrophobicContact CG1-CD1 4.47Å; V1597-L1599 HydrophobicContact CG1-CD2 4.14Å; V1597-L1599 HydrophobicContact CG1-CG 3.97Å; V1597-T1680 CarbonylContact O-C 3.38Å; V1597-T1680 WeakPolarHBondContact O-CA 3.35Å; V1597-L1681 HydrophobicContact CB-CB 4.31Å; V1597-L1681 HydrophobicContact CB-CD2 4.04Å; V1597-L1681 HydrophobicContact CG2-CD2 3.83Å; V1597-L1681 PolarHBondContact N-O 2.85Å; V1597-L1681 PolarHBondContact O-N 3.2Å; V1597-F1799 HydrophobicContact CG2-CE1 4.03Å; V1597-F1799 HydrophobicContact CG2-CZ 3.8Å
1598	S	81.3	Confident	72.3	Confident	60 Å²	60	60.2 Å²	60.2	42%	0.42	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	97.6	175.9	-158.9	0	0	0	0	111.1	S1677 T1680	S1598-S1677 WeakPolarHBondContact OG-CB 3.33Å; S1598-S1677 PolarHBondContact OG-OG 3.08Å; S1598-T1680 PolarHBondContact OG-OG1 3.11Å
1599	L	77.3	Confident	73.1	Confident	71 Å²	71	61.1 Å²	61.1	37%	0.372	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.1	177.7	-56.1	-171.4	0	0	0	109.7	V1597 G1601 V1602 G1678 L1679	V1597-L1599 HydrophobicContact CG1-CD1 4.47Å; V1597-L1599 HydrophobicContact CG1-CD2 4.14Å; V1597-L1599 HydrophobicContact CG1-CG 3.97Å; L1599-G1601 PolarHBondContact O-N 3.21Å; L1599-G1601 VanDerWaalsContact O-N 3.16Å; L1599-V1602 HydrophobicContact CB-CG2 3.87Å; L1599-V1602 HydrophobicContact CD1-CG2 3.58Å; L1599-V1602 HydrophobicContact CG-CG2 4.37Å; L1599-G1678 PolarHBondContact O-N 3.25Å; L1599-G1678 VanDerWaalsContact O-N 3.15Å; L1599-L1679 HydrophobicContact CB-CB 4.35Å; L1599-L1679 HydrophobicContact CB-CD2 4.28Å; L1599-L1679 HydrophobicContact CD1-CD2 4.03Å; L1599-L1679 HydrophobicContact CG-CD2 4.28Å; L1599-L1679 PolarHBondContact N-O 3.41Å; L1599-L1679 PolarHBondContact O-N 3.43Å; L1599-L1679 VanDerWaalsContact O-N 3.09Å
1600	H	78.4	Confident	73.4	Confident	112 Å²	112	63 Å²	63	52%	0.519	38%	0.379	S	S	.	.	S	Bend	trans	-53.1	-38	179.9	-177	78.9	0	0	0	111.9	S1622 F1675 G1678	H1600-S1622 VanDerWaalsContact CE1-CB 3.44Å; H1600-S1622 WeakPolarHBondContact CE1-CB 3.49Å; H1600-S1622 PolarHBondContact CE1-OG 2.71Å; H1600-S1622 VanDerWaalsContact O-CB 3.32Å; H1600-S1622 WeakPolarHBondContact O-CB 3.47Å; H1600-S1622 PolarHBondContact O-N 2.92Å; H1600-F1675 AromaticContact CE1-CD2 3.81Å; H1600-F1675 AromaticContact ND1-CD2 3.48Å; H1600-F1675 WeakPolarHBondContact ND1-CD2 3.48Å; H1600-F1675 AromaticContact ND1-CE2 3.47Å; H1600-F1675 WeakPolarHBondContact ND1-CE2 3.26Å; H1600-G1678 PolarHBondContact O-N 2.78Å
1601	G	74.3	Confident	73.9	Confident	42 Å²	42	63.2 Å²	63.2	43%	0.433	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	161.6	163.5	0	0	0	0	0	111.5	L1599 L1620	L1599-G1601 PolarHBondContact O-N 3.21Å; L1599-G1601 VanDerWaalsContact O-N 3.16Å; G1601-L1620 CarbonylContact C-O 3.58Å; G1601-L1620 WeakPolarHBondContact CA-O 3.28Å
1602	V	78.5	Confident	74.4	Confident	41 Å²	41	62.7 Å²	62.7	25%	0.248	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	120.2	178.2	-176.7	0	0	0	0	108.2	L1599 A1619 L1620 L1679	L1599-V1602 HydrophobicContact CB-CG2 3.87Å; L1599-V1602 HydrophobicContact CD1-CG2 3.58Å; L1599-V1602 HydrophobicContact CG-CG2 4.37Å; V1602-A1619 CarbonylContact O-C 3.58Å; V1602-A1619 VanDerWaalsContact O-CA 3.32Å; V1602-A1619 WeakPolarHBondContact O-CA 3.47Å; V1602-L1620 HydrophobicContact CB-CB 4.21Å; V1602-L1620 HydrophobicContact CB-CD1 4.28Å; V1602-L1620 HydrophobicContact CB-CG 4.38Å; V1602-L1620 HydrophobicContact CG2-CD1 4.43Å; V1602-L1620 PolarHBondContact N-O 2.85Å; V1602-L1620 PolarHBondContact O-N 3.42Å; V1602-L1679 HydrophobicContact CG2-CD2 4.19Å
1603	G	78.1	Confident	74.6	Confident	39 Å²	39	61.9 Å²	61.9	40%	0.402	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	106.8	-178.8	0	0	0	0	0	112.4	I1618	G1603-I1618 CarbonylContact C-O 3.59Å
1604	L	80.4	Confident	75.2	Confident	107 Å²	107	60.3 Å²	60.3	56%	0.56	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.8	175.4	-66.2	169.9	0	0	0	110.4	Y1617 I1618	L1604-Y1617 WeakPolarHBondContact O-CA 3.44Å; L1604-I1618 HydrophobicContact CB-CB 4.33Å; L1604-I1618 PolarHBondContact N-O 3.16Å; L1604-I1618 PolarHBondContact O-N 3.11Å
1605	S	81.7	Confident	75.3	Confident	32 Å²	32	56.4 Å²	56.4	22%	0.224	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	100.2	-175.9	-179.5	0	0	0	0	108.9	M1607 E1614 R2078 R2081	S1605-M1607 PolarHBondContact O-N 2.98Å; S1605-E1614 PolarHBondContact OG-OE2 2.81Å; S1605-R2078 PolarHBondContact OG-NH2 3.23Å; S1605-R2081 VanDerWaalsContact CB-NH2 3.28Å; S1605-R2081 PolarHBondContact OG-NH2 2.88Å
1606	L	77.8	Confident	75.9	Confident	49 Å²	49	54.2 Å²	54.2	26%	0.257	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	95.1	178.4	-64.9	-172.4	0	0	0	109.7	V1615 A1616 I1618 L1774 M1777	L1606-V1615 PolarHBondContact O-N 2.78Å; L1606-A1616 HydrophobicContact CB-CB 4.13Å; L1606-A1616 HydrophobicContact CD1-CB 4Å; L1606-A1616 HydrophobicContact CG-CB 4.27Å; L1606-A1616 PolarHBondContact N-O 2.9Å; L1606-I1618 HydrophobicContact CD1-CD1 4.04Å; L1606-I1618 HydrophobicContact CG-CD1 4.32Å; L1606-L1774 HydrophobicContact CD1-CD1 4.19Å; L1606-M1777 HydrophobicContact CB-SD 4.28Å; L1606-M1777 HydrophobicContact CD1-CE 4.27Å; L1606-M1777 HydrophobicContact CD2-CE 4.5Å
1607	M	75	Confident	76.3	Confident	35 Å²	35	50.7 Å²	50.7	17%	0.172	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.4	171.5	-57	-55.4	-63.1	0	0	109.4	S1605 E1614 V2083 V2089	S1605-M1607 PolarHBondContact O-N 2.98Å; M1607-E1614 HydrophobicContact CE-CB 4.25Å; M1607-E1614 HydrophobicContact SD-CB 3.67Å; M1607-E1614 HydrophobicContact SD-CG 3.87Å; M1607-V2083 HydrophobicContact CE-CG2 3.9Å; M1607-V2089 HydrophobicContact CE-CG2 4.31Å; M1607-V2089 HydrophobicContact CG-CG1 4.47Å; M1607-V2089 HydrophobicContact CG-CG2 4.49Å
1608	N	71.4	Confident	76.7	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	102.5	167	-179.4	-26.7	0	0	0	108.9	S1610 I1611 G1612 K1613 V1615 S1776 M1777	N1608-S1610 PolarHBondContact O-N 2.85Å; N1608-S1610 WeakPolarHBondContact OD1-CB 3.39Å; N1608-S1610 PolarHBondContact OD1-N 2.81Å; N1608-S1610 VanDerWaalsContact OD1-N 3.12Å; N1608-S1610 PolarHBondContact OD1-OG 2.84Å; N1608-I1611 HydrophobicContact CB-CB 4.45Å; N1608-I1611 WeakPolarHBondContact ND2-CD1 3.14Å; N1608-I1611 PolarHBondContact O-N 2.81Å; N1608-I1611 VanDerWaalsContact O-N 3.09Å; N1608-I1611 PolarHBondContact OD1-N 2.73Å; N1608-G1612 PolarHBondContact O-N 2.88Å; N1608-K1613 PolarHBondContact N-O 2.74Å; N1608-V1615 HydrophobicContact CB-CG2 3.72Å; N1608-S1776 PolarHBondContact ND2-OG 3.34Å; N1608-M1777 HydrophobicContact CB-CB 4.34Å; N1608-M1777 HydrophobicContact CB-CG 4.16Å; N1608-M1777 PolarHBondContact ND2-N 3.36Å
1609	D	65.7	Low	76.8	Confident	137 Å²	137	48.7 Å²	48.7	73%	0.733	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-34.5	-176	-64.1	-13.8	0	0	0	113.4	I1611	D1609-I1611 VanDerWaalsContact C-N 3.34Å; D1609-I1611 PolarHBondContact O-N 2.95Å
1610	S	64	Low	77	Confident	81 Å²	81	45.9 Å²	45.9	57%	0.566	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-36.6	179.2	76.1	0	0	0	0	112.2	N1608	N1608-S1610 PolarHBondContact O-N 2.85Å; N1608-S1610 WeakPolarHBondContact OD1-CB 3.39Å; N1608-S1610 PolarHBondContact OD1-N 2.81Å; N1608-S1610 VanDerWaalsContact OD1-N 3.12Å; N1608-S1610 PolarHBondContact OD1-OG 2.84Å
1611	I	64.6	Low	77	Confident	79 Å²	79	43.8 Å²	43.8	41%	0.405	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-26.6	179.9	-54.3	-178.2	0	0	0	111.2	N1608 D1609 K1613	N1608-I1611 HydrophobicContact CB-CB 4.45Å; N1608-I1611 WeakPolarHBondContact ND2-CD1 3.14Å; N1608-I1611 PolarHBondContact O-N 2.81Å; N1608-I1611 VanDerWaalsContact O-N 3.09Å; N1608-I1611 PolarHBondContact OD1-N 2.73Å; D1609-I1611 VanDerWaalsContact C-N 3.34Å; D1609-I1611 PolarHBondContact O-N 2.95Å; I1611-K1613 HydrophobicContact CG2-CB 4.03Å; I1611-K1613 HydrophobicContact CG2-CD 3.91Å; I1611-K1613 HydrophobicContact CG2-CG 3.89Å
1612	G	67.9	Low	77	Confident	18 Å²	18	42.7 Å²	42.7	19%	0.186	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	32.1	-172.7	0	0	0	0	0	113.1	N1608	N1608-G1612 PolarHBondContact O-N 2.88Å
1613	K	75.3	Confident	76.6	Confident	89 Å²	89	41.6 Å²	41.6	39%	0.387	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.3	-178.3	-75.3	-171.3	-179.6	-170.1	0	111.9	N1608 I1611 S1706	N1608-K1613 PolarHBondContact N-O 2.74Å; I1611-K1613 HydrophobicContact CG2-CB 4.03Å; I1611-K1613 HydrophobicContact CG2-CD 3.91Å; I1611-K1613 HydrophobicContact CG2-CG 3.89Å; K1613-S1706 PolarHBondContact NZ-OG 3.22Å
1614	E	80.8	Confident	76.2	Confident	7 Å²	7	42.9 Å²	42.9	3%	0.033	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	122.5	161.6	-163.5	169.1	144.3	0	0	108.6	S1605 M1607 Q1704 R2078 R2081	S1605-E1614 PolarHBondContact OG-OE2 2.81Å; M1607-E1614 HydrophobicContact CE-CB 4.25Å; M1607-E1614 HydrophobicContact SD-CB 3.67Å; M1607-E1614 HydrophobicContact SD-CG 3.87Å; E1614-Q1704 HydrophobicContact CB-CB 4.13Å; E1614-Q1704 HydrophobicContact CG-CB 3.9Å; E1614-Q1704 HydrophobicContact CG-CG 4.13Å; E1614-R2078 IonicContact OE1-CZ 2.68Å; E1614-R2078 IonicContact OE1-NE 2.76Å; E1614-R2078 PolarHBondContact OE1-NE 3.34Å; E1614-R2078 IonicContact OE1-NH2 3.13Å; E1614-R2078 PolarHBondContact OE1-NH2 3.2Å; E1614-R2078 IonicContact OE2-CZ 3.72Å; E1614-R2078 IonicContact OE2-NH2 3.33Å; E1614-R2078 PolarHBondContact OE2-NH2 2.68Å; E1614-R2081 WeakPolarHBondContact OE2-CB 3.46Å; E1614-R2081 IonicContact OE2-NE 3.57Å; E1614-R2081 PolarHBondContact OE2-NE 2.95Å; E1614-R2081 IonicContact OE2-NH2 2.75Å
1615	V	82.2	Confident	75.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-46.6	178.9	178.6	0	0	0	0	110	L1606 N1608 Q1704 L1705 F1770 A1773	L1606-V1615 PolarHBondContact O-N 2.78Å; N1608-V1615 HydrophobicContact CB-CG2 3.72Å; V1615-Q1704 PolarHBondContact O-N 3.22Å; V1615-L1705 HydrophobicContact CG1-CD2 4.49Å; V1615-L1705 HydrophobicContact CG2-CD2 4.46Å; V1615-F1770 HydrophobicContact CG1-CD2 4.38Å; V1615-F1770 HydrophobicContact CG1-CE2 4.31Å; V1615-A1773 HydrophobicContact CG1-CB 3.65Å; V1615-A1773 HydrophobicContact CG2-CB 4.08Å
1616	A	84.9	Confident	75.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	150.6	-176.8	0	0	0	0	0	111.8	L1606 I1701 D1702 F1770	L1606-A1616 HydrophobicContact CB-CB 4.13Å; L1606-A1616 HydrophobicContact CD1-CB 4Å; L1606-A1616 HydrophobicContact CG-CB 4.27Å; L1606-A1616 PolarHBondContact N-O 2.9Å; A1616-I1701 HydrophobicContact CB-CG2 4.36Å; A1616-D1702 VanDerWaalsContact CA-O 3.31Å; A1616-D1702 WeakPolarHBondContact CA-O 3.48Å; A1616-F1770 HydrophobicContact CB-CE2 3.47Å; A1616-F1770 VanDerWaalsContact CB-CE2 3.47Å; A1616-F1770 HydrophobicContact CB-CZ 3.59Å
1617	Y	86.7	Confident	75.7	Confident	35 Å²	35	35.4 Å²	35.4	14%	0.137	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	114.5	163.8	-175.3	-116.2	0	0	0	108.8	L1604 A1619 I1701 D1702 I2077 R2078	L1604-Y1617 WeakPolarHBondContact O-CA 3.44Å; Y1617-A1619 HydrophobicContact CD1-CB 4.21Å; Y1617-A1619 HydrophobicContact CE1-CB 3.77Å; Y1617-I1701 WeakPolarHBondContact O-CA 3.39Å; Y1617-D1702 PolarHBondContact N-O 2.84Å; Y1617-D1702 PolarHBondContact O-N 2.88Å; Y1617-I2077 HydrophobicContact CD1-CB 4.46Å; Y1617-I2077 HydrophobicContact CE1-CB 4.27Å; Y1617-I2077 HydrophobicContact CE1-CD1 4.4Å; Y1617-I2077 HydrophobicContact CE1-CG2 4.02Å; Y1617-R2078 HydrophobicContact CD1-CG 3.85Å; Y1617-R2078 VanDerWaalsContact CD2-CZ 3.49Å; Y1617-R2078 HydrophobicContact CE1-CG 4.03Å; Y1617-R2078 VanDerWaalsContact CE2-CZ 3.46Å; Y1617-R2078 HydrophobicContact CG-CG 4.16Å
1618	I	85.1	Confident	76.1	Confident	43 Å²	43	35.1 Å²	35.1	22%	0.221	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.1	176.7	-56.6	171.6	0	0	0	106.9	G1603 L1604 L1606 I1699 Q1700 I1701	G1603-I1618 CarbonylContact C-O 3.59Å; L1604-I1618 HydrophobicContact CB-CB 4.33Å; L1604-I1618 PolarHBondContact N-O 3.16Å; L1604-I1618 PolarHBondContact O-N 3.11Å; L1606-I1618 HydrophobicContact CD1-CD1 4.04Å; L1606-I1618 HydrophobicContact CG-CD1 4.32Å; I1618-I1699 HydrophobicContact CG2-CD1 4.33Å; I1618-I1699 HydrophobicContact CG2-CG1 4.43Å; I1618-Q1700 WeakPolarHBondContact CA-O 3.47Å; I1618-I1701 HydrophobicContact CG1-CG1 4.16Å; I1618-I1701 HydrophobicContact CG1-CG2 3.98Å; I1618-I1701 HydrophobicContact CG2-CG1 4.31Å
1619	A	82.4	Confident	76.7	Confident	2 Å²	2	35.8 Å²	35.8	2%	0.017	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	122.9	-176	0	0	0	0	0	112.5	V1602 Y1617 R1621 I1699 Q1700 I2077	V1602-A1619 CarbonylContact O-C 3.58Å; V1602-A1619 VanDerWaalsContact O-CA 3.32Å; V1602-A1619 WeakPolarHBondContact O-CA 3.47Å; Y1617-A1619 HydrophobicContact CD1-CB 4.21Å; Y1617-A1619 HydrophobicContact CE1-CB 3.77Å; A1619-R1621 HydrophobicContact CB-CG 4.23Å; A1619-I1699 CarbonylContact O-C 3.5Å; A1619-I1699 VanDerWaalsContact O-CA 3.28Å; A1619-I1699 WeakPolarHBondContact O-CA 3.33Å; A1619-Q1700 PolarHBondContact N-O 2.83Å; A1619-Q1700 PolarHBondContact O-N 2.86Å; A1619-I2077 HydrophobicContact CB-CD1 3.4Å
1620	L	82.8	Confident	77.6	Confident	12 Å²	12	33.4 Å²	33.4	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.1	157.5	-53.2	-177	0	0	0	107.7	G1601 V1602 L1679 I1696 S1698 I1699	G1601-L1620 CarbonylContact C-O 3.58Å; G1601-L1620 WeakPolarHBondContact CA-O 3.28Å; V1602-L1620 HydrophobicContact CB-CB 4.21Å; V1602-L1620 HydrophobicContact CB-CD1 4.28Å; V1602-L1620 HydrophobicContact CB-CG 4.38Å; V1602-L1620 HydrophobicContact CG2-CD1 4.43Å; V1602-L1620 PolarHBondContact N-O 2.85Å; V1602-L1620 PolarHBondContact O-N 3.42Å; L1620-L1679 HydrophobicContact CD1-CB 4.19Å; L1620-L1679 HydrophobicContact CD1-CD2 4.21Å; L1620-I1696 HydrophobicContact CD1-CD1 4.19Å; L1620-I1696 HydrophobicContact CD2-CD1 4.48Å; L1620-I1696 HydrophobicContact CD2-CG2 3.88Å; L1620-S1698 CarbonylContact C-O 3.58Å; L1620-S1698 WeakPolarHBondContact CA-O 3.47Å; L1620-I1699 HydrophobicContact CD2-CB 4.17Å; L1620-I1699 HydrophobicContact CD2-CG1 4.07Å
1621	R	76.6	Confident	78	Confident	67 Å²	67	36 Å²	36	25%	0.253	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.6	-174.1	-64.6	-176.4	-64.9	-152.3	-6.4	112.4	A1619 G1678 S1698 I2077	A1619-R1621 HydrophobicContact CB-CG 4.23Å; R1621-G1678 WeakPolarHBondContact O-CA 3.36Å; R1621-S1698 PolarHBondContact N-O 3.32Å; R1621-S1698 PolarHBondContact NH2-OG 3.44Å; R1621-S1698 PolarHBondContact O-N 3.39Å; R1621-I2077 HydrophobicContact CG-CD1 4.17Å; R1621-I2077 VanDerWaalsContact NH1-CG1 3.31Å
1622	S	75.4	Confident	78.4	Confident	19 Å²	19	42.1 Å²	42.1	13%	0.133	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-54.2	153.5	164.1	-164.8	0	0	0	0	111.4	H1600 Q1676 G1678	H1600-S1622 VanDerWaalsContact CE1-CB 3.44Å; H1600-S1622 WeakPolarHBondContact CE1-CB 3.49Å; H1600-S1622 PolarHBondContact CE1-OG 2.71Å; H1600-S1622 VanDerWaalsContact O-CB 3.32Å; H1600-S1622 WeakPolarHBondContact O-CB 3.47Å; H1600-S1622 PolarHBondContact O-N 2.92Å; S1622-Q1676 CarbonylContact C-O 3.56Å; S1622-Q1676 WeakPolarHBondContact CA-O 3.37Å; S1622-Q1676 WeakPolarHBondContact CB-O 3.42Å; S1622-Q1676 PolarHBondContact OG-O 3.31Å; S1622-G1678 VanDerWaalsContact N-CA 3.31Å
1623	T	70.8	Confident	78.6	Confident	19 Å²	19	51.9 Å²	51.9	12%	0.117	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-62.2	147.7	163.6	47.5	0	0	0	0	110.6	Q1676 N1697 P1731	T1623-Q1676 HydrophobicContact CG2-CB 4.36Å; T1623-Q1676 PolarHBondContact N-O 3.27Å; T1623-Q1676 WeakPolarHBondContact OG1-CB 3.45Å; T1623-Q1676 PolarHBondContact OG1-N 2.96Å; T1623-Q1676 VanDerWaalsContact OG1-N 3.08Å; T1623-Q1676 PolarHBondContact OG1-OE1 2.64Å; T1623-N1697 HydrophobicContact CG2-CB 3.95Å; T1623-P1731 HydrophobicContact CG2-CB 3.99Å; T1623-P1731 HydrophobicContact CG2-CG 4.5Å
1624	G	68.1	Low	78.7	Confident	66 Å²	66	50.7 Å²	50.7	68%	0.68	24%	0.242	S	C	*	.	S	Bend	trans	-58.7	149.4	167.2	0	0	0	0	0	110.1	I1626	G1624-I1626 PolarHBondContact O-N 3.3Å; G1624-I1626 VanDerWaalsContact O-N 3.14Å
1625	A	70.9	Confident	78.4	Confident	19 Å²	19	57.9 Å²	57.9	16%	0.157	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-46.4	118.6	-171	0	0	0	0	0	113	E1646 R1673	A1625-E1646 VanDerWaalsContact CB-CD 3.45Å; A1625-E1646 HydrophobicContact CB-CG 4.39Å; A1625-E1646 WeakPolarHBondContact CB-OE1 2.97Å; A1625-E1646 VanDerWaalsContact CB-OE2 3.24Å; A1625-E1646 WeakPolarHBondContact CB-OE2 3.46Å; A1625-R1673 HydrophobicContact CB-CG 3.93Å
1626	I	76.7	Confident	78	Confident	12 Å²	12	59.1 Å²	59.1	6%	0.062	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	111	175.9	-56.7	179	0	0	0	106.1	G1624 E1628 A1636 S1674 Q1676 V1730	G1624-I1626 PolarHBondContact O-N 3.3Å; G1624-I1626 VanDerWaalsContact O-N 3.14Å; I1626-E1628 HydrophobicContact CG2-CG 4.17Å; I1626-A1636 HydrophobicContact CG2-CB 3.89Å; I1626-S1674 PolarHBondContact N-O 3.47Å; I1626-S1674 PolarHBondContact O-N 2.85Å; I1626-S1674 PolarHBondContact O-OG 2.84Å; I1626-Q1676 HydrophobicContact CD1-CG 4.12Å; I1626-V1730 HydrophobicContact CD1-CG1 4.43Å
1627	W	82.3	Confident	77.6	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.4	171.5	-71.1	84.6	0	0	0	108.8	A1636 F1637 L1645 E1646 Y1649 F1658 M1661 I1671 R1673	W1627-A1636 CarbonylContact O-C 3.42Å; W1627-A1636 WeakPolarHBondContact O-CA 3.44Å; W1627-F1637 HydrophobicContact CB-CD2 3.9Å; W1627-F1637 WeakPolarHBondContact O-CD2 2.8Å; W1627-F1637 PolarHBondContact O-N 2.51Å; W1627-L1645 HydrophobicContact CB-CB 4.3Å; W1627-L1645 HydrophobicContact CB-CD1 3.6Å; W1627-L1645 HydrophobicContact CD2-CB 3.79Å; W1627-L1645 HydrophobicContact CD2-CD1 4.3Å; W1627-L1645 HydrophobicContact CE3-CB 4.46Å; W1627-L1645 HydrophobicContact CG-CB 3.68Å; W1627-L1645 HydrophobicContact CG-CD1 3.9Å; W1627-L1645 HydrophobicContact CG-CG 4.43Å; W1627-E1646 PolarHBondContact NE1-OE2 3.49Å; W1627-Y1649 AromaticContact CH2-CD2 3.78Å; W1627-Y1649 HydrophobicContact CH2-CD2 3.78Å; W1627-Y1649 HydrophobicContact CH2-CE2 4.47Å; W1627-Y1649 AromaticContact CH2-CG 3.91Å; W1627-Y1649 HydrophobicContact CH2-CG 3.91Å; W1627-Y1649 HydrophobicContact CZ2-CD1 4.26Å; W1627-Y1649 HydrophobicContact CZ2-CD2 4.09Å; W1627-Y1649 AromaticContact CZ2-CG 3.72Å; W1627-Y1649 HydrophobicContact CZ2-CG 3.72Å; W1627-F1658 AromaticContact CH2-CD1 3.97Å; W1627-F1658 HydrophobicContact CH2-CD1 3.97Å; W1627-F1658 AromaticContact CH2-CE1 3.89Å; W1627-F1658 HydrophobicContact CH2-CE1 3.89Å; W1627-F1658 HydrophobicContact CZ3-CD1 4.43Å; W1627-F1658 HydrophobicContact CZ3-CE1 4.35Å; W1627-M1661 HydrophobicContact CH2-SD 4.5Å; W1627-M1661 HydrophobicContact CZ3-SD 4.1Å; W1627-I1671 HydrophobicContact CE3-CD1 3.84Å; W1627-I1671 HydrophobicContact CE3-CG1 4.41Å; W1627-I1671 HydrophobicContact CZ3-CD1 3.59Å; W1627-I1671 HydrophobicContact CZ3-CG1 4.23Å; W1627-R1673 HydrophobicContact CD2-CB 4.28Å; W1627-R1673 HydrophobicContact CD2-CG 4.3Å; W1627-R1673 HydrophobicContact CE3-CB 4.11Å; W1627-R1673 HydrophobicContact CH2-CB 3.93Å; W1627-R1673 HydrophobicContact CH2-CG 4.18Å; W1627-R1673 HydrophobicContact CZ2-CB 4.07Å; W1627-R1673 VanDerWaalsContact CZ2-CD 3.47Å; W1627-R1673 HydrophobicContact CZ2-CG 3.81Å; W1627-R1673 HydrophobicContact CZ3-CB 3.93Å
1628	E	83.8	Confident	76.8	Confident	28 Å²	28	61.2 Å²	61.2	13%	0.131	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.2	178.2	-59.5	173.4	-154.9	0	0	110.6	I1626 F1634 R1635 A1636 I1671 R1672 S1674	I1626-E1628 HydrophobicContact CG2-CG 4.17Å; E1628-F1634 HydrophobicContact CB-CB 4.07Å; E1628-F1634 HydrophobicContact CB-CD1 4.42Å; E1628-F1634 WeakPolarHBondContact OE2-CB 3.19Å; E1628-R1635 CarbonylContact C-O 3.55Å; E1628-R1635 VanDerWaalsContact CA-O 3.24Å; E1628-R1635 WeakPolarHBondContact CA-O 2.89Å; E1628-A1636 HydrophobicContact CG-CB 4.5Å; E1628-I1671 CarbonylContact O-C 3.47Å; E1628-I1671 WeakPolarHBondContact O-CA 3.17Å; E1628-R1672 HydrophobicContact CB-CG 4Å; E1628-R1672 PolarHBondContact N-O 3.31Å; E1628-R1672 PolarHBondContact O-N 3.15Å; E1628-R1672 IonicContact OE1-NH2 3.17Å; E1628-R1672 IonicContact OE2-CZ 2.74Å; E1628-R1672 IonicContact OE2-NE 2.68Å; E1628-R1672 PolarHBondContact OE2-NE 3.34Å; E1628-R1672 IonicContact OE2-NH2 2.82Å; E1628-R1672 PolarHBondContact OE2-NH2 2.84Å; E1628-S1674 WeakPolarHBondContact OE1-CB 3.38Å; E1628-S1674 PolarHBondContact OE1-OG 2.83Å
1629	Q	84.5	Confident	75.9	Confident	19 Å²	19	61.1 Å²	61.1	9%	0.089	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.2	172.4	43.2	178.3	-29.7	0	0	111.1	K1631 F1634 R1635 F1637 I1671	Q1629-K1631 PolarHBondContact O-N 3.09Å; Q1629-F1634 CarbonylContact O-C 3.56Å; Q1629-F1634 WeakPolarHBondContact O-CA 3.25Å; Q1629-R1635 WeakPolarHBondContact CG-O 3.33Å; Q1629-R1635 PolarHBondContact N-O 3.18Å; Q1629-R1635 PolarHBondContact O-N 2.97Å; Q1629-F1637 HydrophobicContact CB-CD2 4.35Å; Q1629-F1637 HydrophobicContact CB-CE1 4.37Å; Q1629-F1637 HydrophobicContact CB-CE2 3.58Å; Q1629-F1637 HydrophobicContact CB-CZ 3.6Å; Q1629-F1637 HydrophobicContact CG-CD2 4.21Å; Q1629-F1637 HydrophobicContact CG-CE1 4.2Å; Q1629-F1637 HydrophobicContact CG-CE2 3.88Å; Q1629-F1637 HydrophobicContact CG-CZ 3.88Å; Q1629-I1671 HydrophobicContact CB-CG2 4.48Å
1630	K	83.7	Confident	75.1	Confident	87 Å²	87	64.4 Å²	64.4	38%	0.378	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	122.1	170	-161.5	177.6	-178.6	-178.2	0	109.2	F1634 E1670	K1630-F1634 HydrophobicContact CB-CD1 3.91Å; K1630-F1634 HydrophobicContact CB-CE1 3.72Å; K1630-F1634 HydrophobicContact CB-CG 4.49Å; K1630-F1634 HydrophobicContact CB-CZ 4.13Å; K1630-F1634 HydrophobicContact CD-CE1 4.43Å; K1630-F1634 HydrophobicContact CD-CE2 4.44Å; K1630-F1634 HydrophobicContact CD-CZ 4.04Å; K1630-F1634 HydrophobicContact CG-CE1 4.25Å; K1630-F1634 HydrophobicContact CG-CE2 4.37Å; K1630-F1634 HydrophobicContact CG-CZ 4.17Å; K1630-E1670 HydrophobicContact CB-CB 3.9Å; K1630-E1670 HydrophobicContact CD-CB 3.88Å; K1630-E1670 HydrophobicContact CD-CG 4.25Å; K1630-E1670 WeakPolarHBondContact CD-OE1 3.22Å; K1630-E1670 WeakPolarHBondContact CD-OE2 3.41Å; K1630-E1670 WeakPolarHBondContact CE-OE2 3.4Å; K1630-E1670 PolarHBondContact N-O 2.74Å; K1630-E1670 IonicContact NZ-OE1 3.2Å; K1630-E1670 PolarHBondContact NZ-OE1 2.84Å; K1630-E1670 IonicContact NZ-OE2 3.15Å; K1630-E1670 PolarHBondContact NZ-OE2 2.94Å
1631	K	72.3	Confident	74.8	Confident	134 Å²	134	67.3 Å²	67.3	58%	0.583	34%	0.338	S	S	*	.	S	Bend	trans	-116	-59.7	168.3	-73.6	-167.5	174.1	-171.4	0	111.6	Q1629 R1633	Q1629-K1631 PolarHBondContact O-N 3.09Å; K1631-R1633 PolarHBondContact N-O 3.12Å
1632	K	73.7	Confident	74.8	Confident	209 Å²	209	64.7 Å²	64.7	91%	0.909	33%	0.331	S	S	*	.	S	Bend	trans	-131.4	-44.9	164.4	-74	-167.8	176.1	-172.2	0	109
1633	R	71.8	Confident	74.6	Confident	222 Å²	222	68.6 Å²	68.6	84%	0.838	34%	0.342	S	S	*	.	S	Bend	trans	-108.9	167.6	153.9	-60.6	178.8	-177.2	171.9	0.1	108	K1631	K1631-R1633 PolarHBondContact N-O 3.12Å
1634	F	76.9	Confident	74.8	Confident	64 Å²	64	69.9 Å²	69.9	28%	0.281	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	140.8	169.2	-69.8	-88.1	0	0	0	110.4	E1628 Q1629 K1630 R1672	E1628-F1634 HydrophobicContact CB-CB 4.07Å; E1628-F1634 HydrophobicContact CB-CD1 4.42Å; E1628-F1634 WeakPolarHBondContact OE2-CB 3.19Å; Q1629-F1634 CarbonylContact O-C 3.56Å; Q1629-F1634 WeakPolarHBondContact O-CA 3.25Å; K1630-F1634 HydrophobicContact CB-CD1 3.91Å; K1630-F1634 HydrophobicContact CB-CE1 3.72Å; K1630-F1634 HydrophobicContact CB-CG 4.49Å; K1630-F1634 HydrophobicContact CB-CZ 4.13Å; K1630-F1634 HydrophobicContact CD-CE1 4.43Å; K1630-F1634 HydrophobicContact CD-CE2 4.44Å; K1630-F1634 HydrophobicContact CD-CZ 4.04Å; K1630-F1634 HydrophobicContact CG-CE1 4.25Å; K1630-F1634 HydrophobicContact CG-CE2 4.37Å; K1630-F1634 HydrophobicContact CG-CZ 4.17Å; F1634-R1672 HydrophobicContact CD1-CB 4.33Å; F1634-R1672 HydrophobicContact CD1-CG 3.59Å; F1634-R1672 HydrophobicContact CE1-CB 4.02Å; F1634-R1672 HydrophobicContact CE1-CG 3.76Å; F1634-R1672 HydrophobicContact CG-CG 4.12Å; F1634-R1672 HydrophobicContact CZ-CG 4.42Å
1635	R	75.1	Confident	75.4	Confident	158 Å²	158	67.3 Å²	67.3	60%	0.596	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.4	175.1	-70.8	-169.7	178.6	-166.2	2.1	109.6	E1628 Q1629	E1628-R1635 CarbonylContact C-O 3.55Å; E1628-R1635 VanDerWaalsContact CA-O 3.24Å; E1628-R1635 WeakPolarHBondContact CA-O 2.89Å; Q1629-R1635 WeakPolarHBondContact CG-O 3.33Å; Q1629-R1635 PolarHBondContact N-O 3.18Å; Q1629-R1635 PolarHBondContact O-N 2.97Å
1636	A	72.7	Confident	75.9	Confident	26 Å²	26	68.6 Å²	68.6	22%	0.215	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	148.2	178.2	0	0	0	0	0	113	I1626 W1627 E1628 V1730	I1626-A1636 HydrophobicContact CG2-CB 3.89Å; W1627-A1636 CarbonylContact O-C 3.42Å; W1627-A1636 WeakPolarHBondContact O-CA 3.44Å; E1628-A1636 HydrophobicContact CG-CB 4.5Å; A1636-V1730 HydrophobicContact CB-CG2 3.95Å
1637	F	77	Confident	75.9	Confident	24 Å²	24	70.7 Å²	70.7	11%	0.105	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-77.3	157.3	165.2	-78.4	-90.4	0	0	0	111.2	W1627 Q1629 D1641 C1642 L1645 I1663 I1671	W1627-F1637 HydrophobicContact CB-CD2 3.9Å; W1627-F1637 WeakPolarHBondContact O-CD2 2.8Å; W1627-F1637 PolarHBondContact O-N 2.51Å; Q1629-F1637 HydrophobicContact CB-CD2 4.35Å; Q1629-F1637 HydrophobicContact CB-CE1 4.37Å; Q1629-F1637 HydrophobicContact CB-CE2 3.58Å; Q1629-F1637 HydrophobicContact CB-CZ 3.6Å; Q1629-F1637 HydrophobicContact CG-CD2 4.21Å; Q1629-F1637 HydrophobicContact CG-CE1 4.2Å; Q1629-F1637 HydrophobicContact CG-CE2 3.88Å; Q1629-F1637 HydrophobicContact CG-CZ 3.88Å; F1637-D1641 HydrophobicContact CB-CB 4Å; F1637-D1641 HydrophobicContact CD1-CB 4.16Å; F1637-D1641 HydrophobicContact CG-CB 4.45Å; F1637-C1642 PolarHBondContact O-SG 3.1Å; F1637-C1642 VanDerWaalsContact O-SG 3.41Å; F1637-L1645 HydrophobicContact CB-CD1 4.46Å; F1637-L1645 HydrophobicContact CD1-CD1 4.17Å; F1637-L1645 HydrophobicContact CD2-CD1 3.6Å; F1637-L1645 HydrophobicContact CE1-CD1 4.26Å; F1637-L1645 HydrophobicContact CE2-CD1 3.7Å; F1637-L1645 HydrophobicContact CG-CD1 3.85Å; F1637-L1645 HydrophobicContact CZ-CD1 4.03Å; F1637-I1663 HydrophobicContact CE1-CD1 4.15Å; F1637-I1663 HydrophobicContact CZ-CD1 3.63Å; F1637-I1671 HydrophobicContact CE2-CG2 3.68Å; F1637-I1671 HydrophobicContact CZ-CG2 3.84Å
1638	P	71.3	Confident	75.8	Confident	56 Å²	56	71.2 Å²	71.2	36%	0.364	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-50.1	149.3	166	-26.5	34.8	0	0	0	112.2	A1640 D1641 C1642	P1638-A1640 PolarHBondContact O-N 2.85Å; P1638-D1641 HydrophobicContact CB-CB 4.45Å; P1638-D1641 WeakPolarHBondContact CD-OD2 3.42Å; P1638-D1641 WeakPolarHBondContact CG-OD2 3.47Å; P1638-D1641 CarbonylContact O-C 3.6Å; P1638-D1641 WeakPolarHBondContact O-CA 3.11Å; P1638-D1641 WeakPolarHBondContact O-CB 3.05Å; P1638-D1641 PolarHBondContact O-N 3.26Å; P1638-C1642 PolarHBondContact O-N 2.74Å
1639	V	66.2	Low	75.8	Confident	41 Å²	41	73.7 Å²	73.7	25%	0.248	36%	0.355	C	S	.	.	H	α-helix	trans	-67	-25.7	-173.1	178.5	0	0	0	0	112.9	R1643 F1724	V1639-R1643 WeakPolarHBondContact O-CB 3.25Å; V1639-R1643 VanDerWaalsContact O-CG 3.3Å; V1639-R1643 WeakPolarHBondContact O-CG 3.33Å; V1639-R1643 PolarHBondContact O-N 2.86Å; V1639-F1724 HydrophobicContact CB-CD1 4.24Å; V1639-F1724 HydrophobicContact CB-CE1 3.85Å; V1639-F1724 HydrophobicContact CG1-CE1 3.88Å; V1639-F1724 HydrophobicContact CG2-CD1 4.47Å; V1639-F1724 HydrophobicContact CG2-CE1 3.96Å
1640	A	64.5	Low	75.4	Confident	70 Å²	70	78 Å²	78	58%	0.579	38%	0.382	S	S	*	.	H	α-helix	trans	-62.8	-47.3	169.2	0	0	0	0	0	111.7	P1638 R1643 A1644	P1638-A1640 PolarHBondContact O-N 2.85Å; A1640-R1643 PolarHBondContact O-N 3.32Å; A1640-A1644 PolarHBondContact O-N 3.07Å
1641	D	76.1	Confident	75.2	Confident	73 Å²	73	80.2 Å²	80.2	39%	0.39	39%	0.392	S	S	.	.	H	α-helix	trans	-69.1	-41.1	179.6	-60.8	-9.4	0	0	0	111.4	F1637 P1638 R1643 A1644 L1645	F1637-D1641 HydrophobicContact CB-CB 4Å; F1637-D1641 HydrophobicContact CD1-CB 4.16Å; F1637-D1641 HydrophobicContact CG-CB 4.45Å; P1638-D1641 HydrophobicContact CB-CB 4.45Å; P1638-D1641 WeakPolarHBondContact CD-OD2 3.42Å; P1638-D1641 WeakPolarHBondContact CG-OD2 3.47Å; P1638-D1641 CarbonylContact O-C 3.6Å; P1638-D1641 WeakPolarHBondContact O-CA 3.11Å; P1638-D1641 WeakPolarHBondContact O-CB 3.05Å; P1638-D1641 PolarHBondContact O-N 3.26Å; D1641-R1643 VanDerWaalsContact C-N 3.33Å; D1641-R1643 PolarHBondContact O-N 2.74Å; D1641-A1644 CarbonylContact O-C 3.5Å; D1641-A1644 WeakPolarHBondContact O-CA 3.16Å; D1641-A1644 WeakPolarHBondContact O-CB 3.22Å; D1641-A1644 PolarHBondContact O-N 2.89Å; D1641-L1645 WeakPolarHBondContact O-CB 3.45Å; D1641-L1645 WeakPolarHBondContact O-CG 3.06Å; D1641-L1645 PolarHBondContact O-N 3.31Å
1642	C	76.3	Confident	75.2	Confident	13 Å²	13	81.2 Å²	81.2	9%	0.088	39%	0.393	C	S	.	.	H	α-helix	trans	-57.3	-44.4	170.7	-75.8	0	0	0	0	111.6	F1637 P1638 A1644 E1646	F1637-C1642 PolarHBondContact O-SG 3.1Å; F1637-C1642 VanDerWaalsContact O-SG 3.41Å; P1638-C1642 PolarHBondContact O-N 2.74Å; C1642-A1644 VanDerWaalsContact C-N 3.26Å; C1642-A1644 PolarHBondContact O-N 2.99Å; C1642-E1646 VanDerWaalsContact O-CB 3.3Å; C1642-E1646 WeakPolarHBondContact O-CB 3.24Å; C1642-E1646 PolarHBondContact O-N 3.12Å
1643	R	71.5	Confident	74.9	Confident	100 Å²	100	75.4 Å²	75.4	38%	0.377	37%	0.372	S	S	.	.	H	α-helix	trans	-65.3	-28.1	174.5	-72.9	178.6	-176.6	-159.2	2.4	111.9	V1639 A1640 D1641 T1647 E2072	V1639-R1643 WeakPolarHBondContact O-CB 3.25Å; V1639-R1643 VanDerWaalsContact O-CG 3.3Å; V1639-R1643 WeakPolarHBondContact O-CG 3.33Å; V1639-R1643 PolarHBondContact O-N 2.86Å; A1640-R1643 PolarHBondContact O-N 3.32Å; D1641-R1643 VanDerWaalsContact C-N 3.33Å; D1641-R1643 PolarHBondContact O-N 2.74Å; R1643-T1647 WeakPolarHBondContact O-CB 3.48Å; R1643-T1647 PolarHBondContact O-N 2.8Å; R1643-T1647 PolarHBondContact O-OG1 3.39Å; R1643-E2072 IonicContact CZ-OE1 2.7Å; R1643-E2072 IonicContact CZ-OE2 3.23Å; R1643-E2072 IonicContact NH1-OE1 3.94Å; R1643-E2072 PolarHBondContact NH1-OE1 2.73Å; R1643-E2072 IonicContact NH1-OE2 2.68Å; R1643-E2072 PolarHBondContact NH1-OE2 3.17Å; R1643-E2072 IonicContact NH2-OE1 2.75Å; R1643-E2072 IonicContact NH2-OE2 2.94Å; R1643-E2072 PolarHBondContact NH2-OE2 3.48Å
1644	A	76.4	Confident	74.3	Confident	46 Å²	46	69.7 Å²	69.7	38%	0.38	37%	0.372	S	S	.	.	H	α-helix	trans	-78.1	-49.4	176.1	0	0	0	0	0	112.2	A1640 D1641 C1642 E1646 T1647 A1648	A1640-A1644 PolarHBondContact O-N 3.07Å; D1641-A1644 CarbonylContact O-C 3.5Å; D1641-A1644 WeakPolarHBondContact O-CA 3.16Å; D1641-A1644 WeakPolarHBondContact O-CB 3.22Å; D1641-A1644 PolarHBondContact O-N 2.89Å; C1642-A1644 VanDerWaalsContact C-N 3.26Å; C1642-A1644 PolarHBondContact O-N 2.99Å; A1644-E1646 PolarHBondContact O-N 3.44Å; A1644-T1647 CarbonylContact O-C 3.55Å; A1644-T1647 WeakPolarHBondContact O-CA 3.2Å; A1644-T1647 WeakPolarHBondContact O-CB 3.46Å; A1644-T1647 PolarHBondContact O-N 2.88Å; A1644-T1647 VanDerWaalsContact O-N 3.08Å; A1644-A1648 PolarHBondContact O-N 3.35Å
1645	L	80.5	Confident	73.7	Confident	13 Å²	13	72.8 Å²	72.8	7%	0.068	39%	0.391	C	S	.	.	H	α-helix	trans	-58.6	-43.8	176.2	-71.8	169.7	0	0	0	111.8	W1627 F1637 D1641 T1647 A1648 Y1649 I1656 I1663	W1627-L1645 HydrophobicContact CB-CB 4.3Å; W1627-L1645 HydrophobicContact CB-CD1 3.6Å; W1627-L1645 HydrophobicContact CD2-CB 3.79Å; W1627-L1645 HydrophobicContact CD2-CD1 4.3Å; W1627-L1645 HydrophobicContact CE3-CB 4.46Å; W1627-L1645 HydrophobicContact CG-CB 3.68Å; W1627-L1645 HydrophobicContact CG-CD1 3.9Å; W1627-L1645 HydrophobicContact CG-CG 4.43Å; F1637-L1645 HydrophobicContact CB-CD1 4.46Å; F1637-L1645 HydrophobicContact CD1-CD1 4.17Å; F1637-L1645 HydrophobicContact CD2-CD1 3.6Å; F1637-L1645 HydrophobicContact CE1-CD1 4.26Å; F1637-L1645 HydrophobicContact CE2-CD1 3.7Å; F1637-L1645 HydrophobicContact CG-CD1 3.85Å; F1637-L1645 HydrophobicContact CZ-CD1 4.03Å; D1641-L1645 WeakPolarHBondContact O-CB 3.45Å; D1641-L1645 WeakPolarHBondContact O-CG 3.06Å; D1641-L1645 PolarHBondContact O-N 3.31Å; L1645-T1647 VanDerWaalsContact C-N 3.3Å; L1645-T1647 PolarHBondContact O-N 2.68Å; L1645-A1648 PolarHBondContact O-N 3.29Å; L1645-A1648 VanDerWaalsContact O-N 3.15Å; L1645-Y1649 WeakPolarHBondContact O-CB 3.27Å; L1645-Y1649 PolarHBondContact O-N 3.47Å; L1645-I1656 HydrophobicContact CD2-CD1 3.42Å; L1645-I1656 VanDerWaalsContact CD2-CD1 3.42Å; L1645-I1663 HydrophobicContact CD2-CD1 4.12Å
1646	E	80.8	Confident	73.6	Confident	46 Å²	46	66.7 Å²	66.7	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-65.6	-35	175.3	-170	68.9	173.6	0	0	111.9	A1625 W1627 C1642 A1644 T1650 R1673	A1625-E1646 VanDerWaalsContact CB-CD 3.45Å; A1625-E1646 HydrophobicContact CB-CG 4.39Å; A1625-E1646 WeakPolarHBondContact CB-OE1 2.97Å; A1625-E1646 VanDerWaalsContact CB-OE2 3.24Å; A1625-E1646 WeakPolarHBondContact CB-OE2 3.46Å; W1627-E1646 PolarHBondContact NE1-OE2 3.49Å; C1642-E1646 VanDerWaalsContact O-CB 3.3Å; C1642-E1646 WeakPolarHBondContact O-CB 3.24Å; C1642-E1646 PolarHBondContact O-N 3.12Å; A1644-E1646 PolarHBondContact O-N 3.44Å; E1646-T1650 VanDerWaalsContact O-CB 3.28Å; E1646-T1650 WeakPolarHBondContact O-CB 3.3Å; E1646-T1650 PolarHBondContact O-N 2.97Å; E1646-T1650 PolarHBondContact O-OG1 2.73Å; E1646-R1673 IonicContact OE1-CZ 2.8Å; E1646-R1673 IonicContact OE1-NE 3.36Å; E1646-R1673 PolarHBondContact OE1-NE 3.09Å; E1646-R1673 IonicContact OE1-NH2 3.51Å; E1646-R1673 PolarHBondContact OE1-NH2 2.89Å; E1646-R1673 IonicContact OE2-CZ 3.3Å; E1646-R1673 IonicContact OE2-NE 3.35Å; E1646-R1673 PolarHBondContact OE2-NE 3.18Å; E1646-R1673 IonicContact OE2-NH2 2.7Å
1647	T	77.1	Confident	73.8	Confident	56 Å²	56	67.8 Å²	67.8	34%	0.344	37%	0.373	S	S	.	.	H	α-helix	trans	-67.8	-36.7	172.9	-57.7	0	0	0	0	111.5	R1643 A1644 L1645 K1651	R1643-T1647 WeakPolarHBondContact O-CB 3.48Å; R1643-T1647 PolarHBondContact O-N 2.8Å; R1643-T1647 PolarHBondContact O-OG1 3.39Å; A1644-T1647 CarbonylContact O-C 3.55Å; A1644-T1647 WeakPolarHBondContact O-CA 3.2Å; A1644-T1647 WeakPolarHBondContact O-CB 3.46Å; A1644-T1647 PolarHBondContact O-N 2.88Å; A1644-T1647 VanDerWaalsContact O-N 3.08Å; L1645-T1647 VanDerWaalsContact C-N 3.3Å; L1645-T1647 PolarHBondContact O-N 2.68Å; T1647-K1651 HydrophobicContact CG2-CD 4.21Å; T1647-K1651 WeakPolarHBondContact O-CB 3.25Å; T1647-K1651 WeakPolarHBondContact O-CG 3.31Å; T1647-K1651 PolarHBondContact O-N 3.46Å
1648	A	80.7	Confident	74	Confident	11 Å²	11	67.3 Å²	67.3	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-71.5	-41.3	178.2	0	0	0	0	0	112.2	A1644 L1645 K1651 Y1652 L1653 F1658	A1644-A1648 PolarHBondContact O-N 3.35Å; L1645-A1648 PolarHBondContact O-N 3.29Å; L1645-A1648 VanDerWaalsContact O-N 3.15Å; A1648-K1651 CarbonylContact O-C 3.56Å; A1648-K1651 PolarHBondContact O-N 3.1Å; A1648-Y1652 WeakPolarHBondContact O-CA 3.38Å; A1648-Y1652 PolarHBondContact O-N 2.85Å; A1648-L1653 HydrophobicContact CB-CB 4.19Å; A1648-L1653 HydrophobicContact CB-CD1 3.98Å; A1648-L1653 HydrophobicContact CB-CG 4.32Å; A1648-L1653 PolarHBondContact O-N 3.03Å; A1648-F1658 HydrophobicContact CB-CE2 4.32Å; A1648-F1658 HydrophobicContact CB-CZ 3.77Å
1649	Y	82	Confident	74.4	Confident	79 Å²	79	70.3 Å²	70.3	31%	0.31	39%	0.388	S	S	.	.	H	α-helix	trans	-64.1	-46.7	173.8	179	-103.5	0	0	0	111.6	W1627 L1645 K1651 Y1652 F1658	W1627-Y1649 AromaticContact CH2-CD2 3.78Å; W1627-Y1649 HydrophobicContact CH2-CD2 3.78Å; W1627-Y1649 HydrophobicContact CH2-CE2 4.47Å; W1627-Y1649 AromaticContact CH2-CG 3.91Å; W1627-Y1649 HydrophobicContact CH2-CG 3.91Å; W1627-Y1649 HydrophobicContact CZ2-CD1 4.26Å; W1627-Y1649 HydrophobicContact CZ2-CD2 4.09Å; W1627-Y1649 AromaticContact CZ2-CG 3.72Å; W1627-Y1649 HydrophobicContact CZ2-CG 3.72Å; L1645-Y1649 WeakPolarHBondContact O-CB 3.27Å; L1645-Y1649 PolarHBondContact O-N 3.47Å; Y1649-K1651 PolarHBondContact O-N 2.88Å; Y1649-Y1652 PolarHBondContact O-N 3.12Å; Y1649-F1658 HydrophobicContact CD2-CB 4.2Å; Y1649-F1658 AromaticContact CD2-CD1 3.67Å; Y1649-F1658 HydrophobicContact CD2-CD1 3.67Å; Y1649-F1658 HydrophobicContact CD2-CE1 4.18Å; Y1649-F1658 AromaticContact CD2-CG 3.93Å; Y1649-F1658 HydrophobicContact CD2-CG 3.93Å; Y1649-F1658 HydrophobicContact CG-CD1 4.44Å
1650	T	77.8	Confident	75.1	Confident	109 Å²	109	73.9 Å²	73.9	67%	0.669	40%	0.402	S	S	*	.	H	α-helix	trans	-64	-22.4	177.2	-51.9	0	0	0	0	112.8	E1646	E1646-T1650 VanDerWaalsContact O-CB 3.28Å; E1646-T1650 WeakPolarHBondContact O-CB 3.3Å; E1646-T1650 PolarHBondContact O-N 2.97Å; E1646-T1650 PolarHBondContact O-OG1 2.73Å
1651	K	78.6	Confident	76	Confident	134 Å²	134	73.3 Å²	73.3	58%	0.583	39%	0.388	S	S	*	.	H	α-helix	trans	-104.9	-3.7	177.8	-72.1	-175.3	174.2	-170.1	0	114.6	T1647 A1648 Y1649 L1653	T1647-K1651 HydrophobicContact CG2-CD 4.21Å; T1647-K1651 WeakPolarHBondContact O-CB 3.25Å; T1647-K1651 WeakPolarHBondContact O-CG 3.31Å; T1647-K1651 PolarHBondContact O-N 3.46Å; A1648-K1651 CarbonylContact O-C 3.56Å; A1648-K1651 PolarHBondContact O-N 3.1Å; Y1649-K1651 PolarHBondContact O-N 2.88Å; K1651-L1653 HydrophobicContact CB-CD2 4.1Å; K1651-L1653 HydrophobicContact CB-CG 3.99Å; K1651-L1653 PolarHBondContact O-N 3.47Å
1652	Y	72.4	Confident	76.3	Confident	156 Å²	156	72.8 Å²	72.8	61%	0.612	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	51.1	-171.3	-110.6	-100.1	0	0	0	113.8	A1648 Y1649	A1648-Y1652 WeakPolarHBondContact O-CA 3.38Å; A1648-Y1652 PolarHBondContact O-N 2.85Å; Y1649-Y1652 PolarHBondContact O-N 3.12Å
1653	L	68	Low	76.4	Confident	86 Å²	86	73.3 Å²	73.3	45%	0.45	38%	0.384	S	S	.	.			trans	-70.6	132.2	179.1	-63.1	-179	0	0	0	112	A1648 K1651 D1655	A1648-L1653 HydrophobicContact CB-CB 4.19Å; A1648-L1653 HydrophobicContact CB-CD1 3.98Å; A1648-L1653 HydrophobicContact CB-CG 4.32Å; A1648-L1653 PolarHBondContact O-N 3.03Å; K1651-L1653 HydrophobicContact CB-CD2 4.1Å; K1651-L1653 HydrophobicContact CB-CG 3.99Å; K1651-L1653 PolarHBondContact O-N 3.47Å; L1653-D1655 VanDerWaalsContact C-N 3.33Å; L1653-D1655 PolarHBondContact O-N 2.99Å
1654	A	57.6	Low	76.6	Confident	103 Å²	103	71.8 Å²	71.8	85%	0.851	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-10.2	-165.7	0	0	0	0	0	116.9	I1656	A1654-I1656 PolarHBondContact O-N 3.28Å
1655	D	65.8	Low	76.2	Confident	128 Å²	128	77.4 Å²	77.4	68%	0.684	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-7.6	-179.2	-65	-60.8	0	0	0	114	L1653 T1664	L1653-D1655 VanDerWaalsContact C-N 3.33Å; L1653-D1655 PolarHBondContact O-N 2.99Å; D1655-T1664 PolarHBondContact O-OG1 3.22Å
1656	I	72.1	Confident	75.4	Confident	31 Å²	31	83.1 Å²	83.1	16%	0.159	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.5	-178.5	-59	178	0	0	0	108.7	L1645 A1654 F1658 I1663 I1671	L1645-I1656 HydrophobicContact CD2-CD1 3.42Å; L1645-I1656 VanDerWaalsContact CD2-CD1 3.42Å; A1654-I1656 PolarHBondContact O-N 3.28Å; I1656-F1658 HydrophobicContact CB-CE1 4.19Å; I1656-F1658 HydrophobicContact CB-CE2 4Å; I1656-F1658 HydrophobicContact CB-CZ 3.79Å; I1656-F1658 HydrophobicContact CD1-CZ 4.21Å; I1656-F1658 HydrophobicContact CG2-CD1 3.99Å; I1656-F1658 HydrophobicContact CG2-CE1 3.66Å; I1656-F1658 HydrophobicContact CG2-CE2 4.28Å; I1656-F1658 HydrophobicContact CG2-CG 4.46Å; I1656-F1658 HydrophobicContact CG2-CZ 3.81Å; I1656-F1658 PolarHBondContact O-N 3.26Å; I1656-I1663 HydrophobicContact CD1-CG1 4.3Å; I1656-I1663 HydrophobicContact CG1-CG1 4.4Å; I1656-I1663 HydrophobicContact CG2-CG1 4.15Å; I1656-I1671 HydrophobicContact CG2-CD1 4.05Å
1657	D	76.9	Confident	75	Confident	49 Å²	49	84.7 Å²	84.7	26%	0.262	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	96.9	174.5	-169.9	-14.6	0	0	0	109.6	T1659 E1660 M1661 K1662	D1657-T1659 PolarHBondContact O-N 3.02Å; D1657-T1659 VanDerWaalsContact OD1-CA 3.29Å; D1657-T1659 WeakPolarHBondContact OD1-CA 3.4Å; D1657-T1659 WeakPolarHBondContact OD1-CB 3.39Å; D1657-T1659 PolarHBondContact OD1-N 3.19Å; D1657-T1659 PolarHBondContact OD1-OG1 2.88Å; D1657-E1660 PolarHBondContact OD1-N 3Å; D1657-M1661 CarbonylContact O-C 3.57Å; D1657-M1661 WeakPolarHBondContact O-CA 3.32Å; D1657-M1661 PolarHBondContact O-N 3.22Å; D1657-K1662 PolarHBondContact N-O 3.45Å; D1657-K1662 PolarHBondContact O-N 3.18Å
1658	F	81.2	Confident	75.1	Confident	13 Å²	13	88.2 Å²	88.2	6%	0.057	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.9	174.1	-62.6	-65.9	0	0	0	113.4	W1627 A1648 Y1649 I1656	W1627-F1658 AromaticContact CH2-CD1 3.97Å; W1627-F1658 HydrophobicContact CH2-CD1 3.97Å; W1627-F1658 AromaticContact CH2-CE1 3.89Å; W1627-F1658 HydrophobicContact CH2-CE1 3.89Å; W1627-F1658 HydrophobicContact CZ3-CD1 4.43Å; W1627-F1658 HydrophobicContact CZ3-CE1 4.35Å; A1648-F1658 HydrophobicContact CB-CE2 4.32Å; A1648-F1658 HydrophobicContact CB-CZ 3.77Å; Y1649-F1658 HydrophobicContact CD2-CB 4.2Å; Y1649-F1658 AromaticContact CD2-CD1 3.67Å; Y1649-F1658 HydrophobicContact CD2-CD1 3.67Å; Y1649-F1658 HydrophobicContact CD2-CE1 4.18Å; Y1649-F1658 AromaticContact CD2-CG 3.93Å; Y1649-F1658 HydrophobicContact CD2-CG 3.93Å; Y1649-F1658 HydrophobicContact CG-CD1 4.44Å; I1656-F1658 HydrophobicContact CB-CE1 4.19Å; I1656-F1658 HydrophobicContact CB-CE2 4Å; I1656-F1658 HydrophobicContact CB-CZ 3.79Å; I1656-F1658 HydrophobicContact CD1-CZ 4.21Å; I1656-F1658 HydrophobicContact CG2-CD1 3.99Å; I1656-F1658 HydrophobicContact CG2-CE1 3.66Å; I1656-F1658 HydrophobicContact CG2-CE2 4.28Å; I1656-F1658 HydrophobicContact CG2-CG 4.46Å; I1656-F1658 HydrophobicContact CG2-CZ 3.81Å; I1656-F1658 PolarHBondContact O-N 3.26Å
1659	T	79.9	Confident	75	Confident	120 Å²	120	92.1 Å²	92.1	74%	0.736	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-53.2	176.5	-11.3	0	0	0	0	110.4	D1657 M1661	D1657-T1659 PolarHBondContact O-N 3.02Å; D1657-T1659 VanDerWaalsContact OD1-CA 3.29Å; D1657-T1659 WeakPolarHBondContact OD1-CA 3.4Å; D1657-T1659 WeakPolarHBondContact OD1-CB 3.39Å; D1657-T1659 PolarHBondContact OD1-N 3.19Å; D1657-T1659 PolarHBondContact OD1-OG1 2.88Å; T1659-M1661 VanDerWaalsContact C-N 3.26Å
1660	E	80.2	Confident	75.1	Confident	116 Å²	116	92.4 Å²	92.4	54%	0.542	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-6	171.8	-68.7	-154.5	138.1	0	0	113.3	D1657 K1662	D1657-E1660 PolarHBondContact OD1-N 3Å; E1660-K1662 HydrophobicContact CB-CD 3.96Å; E1660-K1662 HydrophobicContact CB-CG 4.24Å; E1660-K1662 VanDerWaalsContact CD-NZ 3.32Å; E1660-K1662 IonicContact OE1-NZ 2.68Å; E1660-K1662 WeakPolarHBondContact OE2-CD 3.16Å; E1660-K1662 WeakPolarHBondContact OE2-CE 3.34Å; E1660-K1662 IonicContact OE2-NZ 2.66Å; E1660-K1662 PolarHBondContact OE2-NZ 3.04Å
1661	M	83.5	Confident	75.6	Confident	57 Å²	57	87.5 Å²	87.5	28%	0.281	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	53.7	-173.3	-73.7	-79.1	-131.8	0	0	112.3	W1627 D1657 T1659 E1670 I1671 R1673	W1627-M1661 HydrophobicContact CH2-SD 4.5Å; W1627-M1661 HydrophobicContact CZ3-SD 4.1Å; D1657-M1661 CarbonylContact O-C 3.57Å; D1657-M1661 WeakPolarHBondContact O-CA 3.32Å; D1657-M1661 PolarHBondContact O-N 3.22Å; T1659-M1661 VanDerWaalsContact C-N 3.26Å; M1661-E1670 WeakPolarHBondContact O-CA 3.35Å; M1661-I1671 HydrophobicContact CB-CG1 4.37Å; M1661-I1671 WeakPolarHBondContact CB-O 3.43Å; M1661-I1671 WeakPolarHBondContact O-CG1 3.23Å; M1661-I1671 PolarHBondContact O-N 2.99Å; M1661-I1671 HydrophobicContact SD-CG1 4.48Å; M1661-R1673 HydrophobicContact CE-CB 4.1Å
1662	K	83.2	Confident	75.9	Confident	62 Å²	62	86.5 Å²	86.5	27%	0.27	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130.8	-179.8	-66.3	170	-163.7	165.9	0	111.9	D1657 E1660 R1669 E1670	D1657-K1662 PolarHBondContact N-O 3.45Å; D1657-K1662 PolarHBondContact O-N 3.18Å; E1660-K1662 HydrophobicContact CB-CD 3.96Å; E1660-K1662 HydrophobicContact CB-CG 4.24Å; E1660-K1662 VanDerWaalsContact CD-NZ 3.32Å; E1660-K1662 IonicContact OE1-NZ 2.68Å; E1660-K1662 WeakPolarHBondContact OE2-CD 3.16Å; E1660-K1662 WeakPolarHBondContact OE2-CE 3.34Å; E1660-K1662 IonicContact OE2-NZ 2.66Å; E1660-K1662 PolarHBondContact OE2-NZ 3.04Å; K1662-R1669 WeakPolarHBondContact CA-O 3.44Å; K1662-E1670 HydrophobicContact CG-CG 4.41Å
1663	I	77.1	Confident	76.4	Confident	25 Å²	25	83.4 Å²	83.4	13%	0.128	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	127.3	160.8	-60.8	-179.7	0	0	0	107	F1637 L1645 I1656 K1665 I1668 R1669 I1671	F1637-I1663 HydrophobicContact CE1-CD1 4.15Å; F1637-I1663 HydrophobicContact CZ-CD1 3.63Å; L1645-I1663 HydrophobicContact CD2-CD1 4.12Å; I1656-I1663 HydrophobicContact CD1-CG1 4.3Å; I1656-I1663 HydrophobicContact CG1-CG1 4.4Å; I1656-I1663 HydrophobicContact CG2-CG1 4.15Å; I1663-K1665 VanDerWaalsContact CG2-O 3.22Å; I1663-K1665 WeakPolarHBondContact CG2-O 3.26Å; I1663-I1668 VanDerWaalsContact O-CA 3.26Å; I1663-I1668 WeakPolarHBondContact O-CA 3.18Å; I1663-R1669 PolarHBondContact N-O 3.4Å; I1663-R1669 PolarHBondContact O-N 3.06Å; I1663-I1671 HydrophobicContact CD1-CG2 3.91Å; I1663-I1671 HydrophobicContact CG1-CD1 4.09Å; I1663-I1671 HydrophobicContact CG1-CG2 3.87Å
1664	T	77.7	Confident	76.8	Confident	67 Å²	67	80.6 Å²	80.6	41%	0.411	42%	0.421	S	S	.	.			trans	-93.7	-31.1	-173.9	60.3	0	0	0	0	113.4	D1655	D1655-T1664 PolarHBondContact O-OG1 3.22Å
1665	K	66.8	Low	77.7	Confident	165 Å²	165	80.9 Å²	80.9	72%	0.717	40%	0.403	S	S	*	.	S	Bend	trans	-132.9	145.8	-179	-65.4	175.8	-176	170.5	0	110.7	I1663	I1663-K1665 VanDerWaalsContact CG2-O 3.22Å; I1663-K1665 WeakPolarHBondContact CG2-O 3.26Å
1666	P	64.7	Low	78.2	Confident	133 Å²	133	77.7 Å²	77.7	86%	0.864	38%	0.384	S	S	*	.	S	Bend	cis	-79.5	-8.8	-2.1	32.8	-36.5	0	0	0	114.2
1667	V	72.4	Confident	78.6	Confident	78 Å²	78	77 Å²	77	47%	0.473	38%	0.382	S	S	.	.	S	Bend	trans	-140.5	133.5	178.6	178.8	0	0	0	0	108.8	R1669	V1667-R1669 HydrophobicContact CG1-CG 4.36Å; V1667-R1669 PolarHBondContact O-N 2.88Å
1668	I	79.3	Confident	78.6	Confident	130 Å²	130	74.6 Å²	74.6	67%	0.667	37%	0.369	S	S	*	.			trans	-61.8	119.7	176.3	-59.1	177.4	0	0	0	109.7	I1663	I1663-I1668 VanDerWaalsContact O-CA 3.26Å; I1663-I1668 WeakPolarHBondContact O-CA 3.18Å
1669	R	78.1	Confident	78.6	Confident	94 Å²	94	74 Å²	74	36%	0.355	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	125.7	176.3	-62.9	-176.1	-167.8	166.4	13.2	110.9	K1662 I1663 V1667 I1671	K1662-R1669 WeakPolarHBondContact CA-O 3.44Å; I1663-R1669 PolarHBondContact N-O 3.4Å; I1663-R1669 PolarHBondContact O-N 3.06Å; V1667-R1669 HydrophobicContact CG1-CG 4.36Å; V1667-R1669 PolarHBondContact O-N 2.88Å; R1669-I1671 PolarHBondContact O-N 2.77Å
1670	E	83.5	Confident	78.6	Confident	85 Å²	85	70 Å²	70	40%	0.397	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	131.5	163.5	-75	172.5	-114.3	0	0	109.9	K1630 M1661 K1662	K1630-E1670 HydrophobicContact CB-CB 3.9Å; K1630-E1670 HydrophobicContact CD-CB 3.88Å; K1630-E1670 HydrophobicContact CD-CG 4.25Å; K1630-E1670 WeakPolarHBondContact CD-OE1 3.22Å; K1630-E1670 WeakPolarHBondContact CD-OE2 3.41Å; K1630-E1670 WeakPolarHBondContact CE-OE2 3.4Å; K1630-E1670 PolarHBondContact N-O 2.74Å; K1630-E1670 IonicContact NZ-OE1 3.2Å; K1630-E1670 PolarHBondContact NZ-OE1 2.84Å; K1630-E1670 IonicContact NZ-OE2 3.15Å; K1630-E1670 PolarHBondContact NZ-OE2 2.94Å; M1661-E1670 WeakPolarHBondContact O-CA 3.35Å; K1662-E1670 HydrophobicContact CG-CG 4.41Å
1671	I	87.7	Confident	78.7	Confident	6 Å²	6	64.5 Å²	64.5	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	159.8	173.4	59.3	175	0	0	0	109.9	W1627 E1628 Q1629 F1637 I1656 M1661 I1663 R1669	W1627-I1671 HydrophobicContact CE3-CD1 3.84Å; W1627-I1671 HydrophobicContact CE3-CG1 4.41Å; W1627-I1671 HydrophobicContact CZ3-CD1 3.59Å; W1627-I1671 HydrophobicContact CZ3-CG1 4.23Å; E1628-I1671 CarbonylContact O-C 3.47Å; E1628-I1671 WeakPolarHBondContact O-CA 3.17Å; Q1629-I1671 HydrophobicContact CB-CG2 4.48Å; F1637-I1671 HydrophobicContact CE2-CG2 3.68Å; F1637-I1671 HydrophobicContact CZ-CG2 3.84Å; I1656-I1671 HydrophobicContact CG2-CD1 4.05Å; M1661-I1671 HydrophobicContact CB-CG1 4.37Å; M1661-I1671 WeakPolarHBondContact CB-O 3.43Å; M1661-I1671 WeakPolarHBondContact O-CG1 3.23Å; M1661-I1671 PolarHBondContact O-N 2.99Å; M1661-I1671 HydrophobicContact SD-CG1 4.48Å; I1663-I1671 HydrophobicContact CD1-CG2 3.91Å; I1663-I1671 HydrophobicContact CG1-CD1 4.09Å; I1663-I1671 HydrophobicContact CG1-CG2 3.87Å; R1669-I1671 PolarHBondContact O-N 2.77Å
1672	R	84.9	Confident	78.7	Confident	113 Å²	113	64.1 Å²	64.1	43%	0.426	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.6	165.5	69.4	-178.4	-174	167.4	5.5	110.3	E1628 F1634	E1628-R1672 HydrophobicContact CB-CG 4Å; E1628-R1672 PolarHBondContact N-O 3.31Å; E1628-R1672 PolarHBondContact O-N 3.15Å; E1628-R1672 IonicContact OE1-NH2 3.17Å; E1628-R1672 IonicContact OE2-CZ 2.74Å; E1628-R1672 IonicContact OE2-NE 2.68Å; E1628-R1672 PolarHBondContact OE2-NE 3.34Å; E1628-R1672 IonicContact OE2-NH2 2.82Å; E1628-R1672 PolarHBondContact OE2-NH2 2.84Å; F1634-R1672 HydrophobicContact CD1-CB 4.33Å; F1634-R1672 HydrophobicContact CD1-CG 3.59Å; F1634-R1672 HydrophobicContact CE1-CB 4.02Å; F1634-R1672 HydrophobicContact CE1-CG 3.76Å; F1634-R1672 HydrophobicContact CG-CG 4.12Å; F1634-R1672 HydrophobicContact CZ-CG 4.42Å
1673	R	83.2	Confident	78.7	Confident	91 Å²	91	62.4 Å²	62.4	34%	0.343	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	96.2	176.2	-171.8	179.9	175.5	-94.6	4	108.7	A1625 W1627 E1646 M1661	A1625-R1673 HydrophobicContact CB-CG 3.93Å; W1627-R1673 HydrophobicContact CD2-CB 4.28Å; W1627-R1673 HydrophobicContact CD2-CG 4.3Å; W1627-R1673 HydrophobicContact CE3-CB 4.11Å; W1627-R1673 HydrophobicContact CH2-CB 3.93Å; W1627-R1673 HydrophobicContact CH2-CG 4.18Å; W1627-R1673 HydrophobicContact CZ2-CB 4.07Å; W1627-R1673 VanDerWaalsContact CZ2-CD 3.47Å; W1627-R1673 HydrophobicContact CZ2-CG 3.81Å; W1627-R1673 HydrophobicContact CZ3-CB 3.93Å; E1646-R1673 IonicContact OE1-CZ 2.8Å; E1646-R1673 IonicContact OE1-NE 3.36Å; E1646-R1673 PolarHBondContact OE1-NE 3.09Å; E1646-R1673 IonicContact OE1-NH2 3.51Å; E1646-R1673 PolarHBondContact OE1-NH2 2.89Å; E1646-R1673 IonicContact OE2-CZ 3.3Å; E1646-R1673 IonicContact OE2-NE 3.35Å; E1646-R1673 PolarHBondContact OE2-NE 3.18Å; E1646-R1673 IonicContact OE2-NH2 2.7Å; M1661-R1673 HydrophobicContact CE-CB 4.1Å
1674	S	77.5	Confident	78.9	Confident	27 Å²	27	65.8 Å²	65.8	19%	0.189	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	164.7	176.1	71.3	0	0	0	0	111.3	I1626 E1628	I1626-S1674 PolarHBondContact N-O 3.47Å; I1626-S1674 PolarHBondContact O-N 2.85Å; I1626-S1674 PolarHBondContact O-OG 2.84Å; E1628-S1674 WeakPolarHBondContact OE1-CB 3.38Å; E1628-S1674 PolarHBondContact OE1-OG 2.83Å
1675	F	75.8	Confident	78.7	Confident	109 Å²	109	66.6 Å²	66.6	48%	0.478	32%	0.316	S	S	.	.			trans	-147.1	148.6	172.1	57.2	-93.2	0	0	0	108.3	H1600	H1600-F1675 AromaticContact CE1-CD2 3.81Å; H1600-F1675 AromaticContact ND1-CD2 3.48Å; H1600-F1675 WeakPolarHBondContact ND1-CD2 3.48Å; H1600-F1675 AromaticContact ND1-CE2 3.47Å; H1600-F1675 WeakPolarHBondContact ND1-CE2 3.26Å
1676	Q	77.2	Confident	79	Confident	60 Å²	60	59.1 Å²	59.1	28%	0.28	29%	0.285	S	S	.	.			trans	-102.2	117.9	172.7	-57.8	161.2	-34	0	0	107.3	S1622 T1623 I1626 N1697	S1622-Q1676 CarbonylContact C-O 3.56Å; S1622-Q1676 WeakPolarHBondContact CA-O 3.37Å; S1622-Q1676 WeakPolarHBondContact CB-O 3.42Å; S1622-Q1676 PolarHBondContact OG-O 3.31Å; T1623-Q1676 HydrophobicContact CG2-CB 4.36Å; T1623-Q1676 PolarHBondContact N-O 3.27Å; T1623-Q1676 WeakPolarHBondContact OG1-CB 3.45Å; T1623-Q1676 PolarHBondContact OG1-N 2.96Å; T1623-Q1676 VanDerWaalsContact OG1-N 3.08Å; T1623-Q1676 PolarHBondContact OG1-OE1 2.64Å; I1626-Q1676 HydrophobicContact CD1-CG 4.12Å; Q1676-N1697 WeakPolarHBondContact CB-ND2 3.05Å
1677	S	79.1	Confident	79.1	Confident	16 Å²	16	59.7 Å²	59.7	11%	0.112	28%	0.276	C	S	.	.			trans	-52.2	145.6	-179.3	-60.6	0	0	0	0	112.2	S1598 L1679 N1697	S1598-S1677 WeakPolarHBondContact OG-CB 3.33Å; S1598-S1677 PolarHBondContact OG-OG 3.08Å; S1677-L1679 WeakPolarHBondContact CB-O 3.27Å; S1677-L1679 PolarHBondContact O-N 3Å; S1677-L1679 VanDerWaalsContact O-N 3.12Å; S1677-N1697 PolarHBondContact O-ND2 3.36Å
1678	G	77.1	Confident	79.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-61.7	-25.6	-175.2	0	0	0	0	0	114.4	L1599 H1600 R1621 S1622 I1696 N1697	L1599-G1678 PolarHBondContact O-N 3.25Å; L1599-G1678 VanDerWaalsContact O-N 3.15Å; H1600-G1678 PolarHBondContact O-N 2.78Å; R1621-G1678 WeakPolarHBondContact O-CA 3.36Å; S1622-G1678 VanDerWaalsContact N-CA 3.31Å; G1678-I1696 WeakPolarHBondContact O-CA 3.34Å; G1678-N1697 PolarHBondContact O-N 3.19Å; G1678-N1697 VanDerWaalsContact O-N 3.16Å
1679	L	80.6	Confident	78.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	135.4	172.4	166.4	66.4	0	0	0	108.5	K1187 L1599 V1602 L1620 S1677 V1694 R1695 I1696	K1187-L1679 HydrophobicContact CB-CD2 3.83Å; K1187-L1679 WeakPolarHBondContact O-CD1 3.46Å; K1187-L1679 WeakPolarHBondContact O-CD2 3.46Å; L1599-L1679 HydrophobicContact CB-CB 4.35Å; L1599-L1679 HydrophobicContact CB-CD2 4.28Å; L1599-L1679 HydrophobicContact CD1-CD2 4.03Å; L1599-L1679 HydrophobicContact CG-CD2 4.28Å; L1599-L1679 PolarHBondContact N-O 3.41Å; L1599-L1679 PolarHBondContact O-N 3.43Å; L1599-L1679 VanDerWaalsContact O-N 3.09Å; V1602-L1679 HydrophobicContact CG2-CD2 4.19Å; L1620-L1679 HydrophobicContact CD1-CB 4.19Å; L1620-L1679 HydrophobicContact CD1-CD2 4.21Å; S1677-L1679 WeakPolarHBondContact CB-O 3.27Å; S1677-L1679 PolarHBondContact O-N 3Å; S1677-L1679 VanDerWaalsContact O-N 3.12Å; L1679-V1694 HydrophobicContact CD1-CG1 4.19Å; L1679-R1695 CarbonylContact C-O 3.51Å; L1679-R1695 WeakPolarHBondContact CA-O 3.29Å; L1679-I1696 HydrophobicContact CB-CG1 4.34Å; L1679-I1696 HydrophobicContact CD1-CD1 3.84Å; L1679-I1696 HydrophobicContact CD1-CG1 3.58Å
1680	T	81.2	Confident	78.9	Confident	36 Å²	36	51.9 Å²	51.9	22%	0.221	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	115.4	166.9	-62.7	0	0	0	0	108.7	L1596 V1597 S1598 V1694 R1695	L1596-T1680 HydrophobicContact CD1-CG2 4.24Å; V1597-T1680 CarbonylContact O-C 3.38Å; V1597-T1680 WeakPolarHBondContact O-CA 3.35Å; S1598-T1680 PolarHBondContact OG-OG1 3.11Å; T1680-V1694 CarbonylContact O-C 3.51Å; T1680-V1694 WeakPolarHBondContact O-CA 3.32Å; T1680-R1695 PolarHBondContact N-O 2.82Å; T1680-R1695 PolarHBondContact O-N 2.82Å
1681	L	81.7	Confident	79	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139.5	162.9	162.2	150.1	0	0	0	108.6	D1188 T1189 I1595 V1597 H1693 V1694	D1188-L1681 HydrophobicContact CB-CD1 4.16Å; D1188-L1681 VanDerWaalsContact O-CD1 3.3Å; D1188-L1681 WeakPolarHBondContact O-CD1 3.32Å; T1189-L1681 WeakPolarHBondContact OG1-CD1 3.35Å; I1595-L1681 VanDerWaalsContact O-CD2 3.32Å; I1595-L1681 WeakPolarHBondContact O-CD2 3.4Å; V1597-L1681 HydrophobicContact CB-CB 4.31Å; V1597-L1681 HydrophobicContact CB-CD2 4.04Å; V1597-L1681 HydrophobicContact CG2-CD2 3.83Å; V1597-L1681 PolarHBondContact N-O 2.85Å; V1597-L1681 PolarHBondContact O-N 3.2Å; L1681-H1693 CarbonylContact C-O 3.42Å; L1681-H1693 WeakPolarHBondContact CA-O 3.27Å; L1681-V1694 HydrophobicContact CB-CG2 4.25Å; L1681-V1694 HydrophobicContact CD1-CG2 4.24Å; L1681-V1694 HydrophobicContact CG-CG2 4.39Å
1682	Q	84.4	Confident	78.7	Confident	49 Å²	49	50.3 Å²	50.3	23%	0.229	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	116.3	162	-174.4	177.7	16.8	0	0	107.2	E1594 L1596 R1684 H1693	E1594-Q1682 PolarHBondContact OE1-NE2 2.84Å; L1596-Q1682 HydrophobicContact CD1-CB 3.85Å; L1596-Q1682 HydrophobicContact CD1-CG 4.05Å; Q1682-R1684 HydrophobicContact CG-CG 4Å; Q1682-H1693 HydrophobicContact CB-CB 4.39Å; Q1682-H1693 PolarHBondContact N-O 2.66Å; Q1682-H1693 PolarHBondContact O-N 2.81Å
1683	Y	82.7	Confident	78.9	Confident	25 Å²	25	47 Å²	47	10%	0.098	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.2	169	176.1	-92.2	0	0	0	107.8	E1594 I1595 Q1685 L1690 Q1691 I1692 F1801	E1594-Y1683 CarbonylContact C-O 3.27Å; E1594-Y1683 WeakPolarHBondContact CA-O 3.32Å; I1595-Y1683 HydrophobicContact CB-CD1 4.5Å; I1595-Y1683 HydrophobicContact CD1-CD1 4.22Å; I1595-Y1683 HydrophobicContact CG1-CD1 4.27Å; I1595-Y1683 PolarHBondContact N-O 3.47Å; I1595-Y1683 PolarHBondContact O-N 2.79Å; Y1683-Q1685 HydrophobicContact CE1-CB 3.67Å; Y1683-Q1685 PolarHBondContact OH-OE1 2.83Å; Y1683-Q1685 VanDerWaalsContact OH-OE1 3.09Å; Y1683-L1690 HydrophobicContact CD2-CD1 4.29Å; Y1683-L1690 HydrophobicContact CE2-CD1 3.48Å; Y1683-L1690 VanDerWaalsContact CE2-CD1 3.48Å; Y1683-Q1691 CarbonylContact C-O 3.48Å; Y1683-Q1691 WeakPolarHBondContact CA-O 3.31Å; Y1683-I1692 HydrophobicContact CD2-CD1 4.26Å; Y1683-I1692 HydrophobicContact CD2-CG1 3.96Å; Y1683-I1692 HydrophobicContact CE2-CD1 4.33Å; Y1683-I1692 HydrophobicContact CE2-CG1 4.34Å; Y1683-F1801 AromaticContact CD2-CE2 3.48Å; Y1683-F1801 HydrophobicContact CD2-CE2 3.48Å; Y1683-F1801 VanDerWaalsContact CD2-CE2 3.48Å; Y1683-F1801 AromaticContact CD2-CZ 3.85Å; Y1683-F1801 HydrophobicContact CD2-CZ 3.85Å; Y1683-F1801 HydrophobicContact CE1-CZ 4.47Å; Y1683-F1801 HydrophobicContact CE2-CD2 4.27Å; Y1683-F1801 AromaticContact CE2-CE2 3.19Å; Y1683-F1801 HydrophobicContact CE2-CE2 3.19Å; Y1683-F1801 AromaticContact CE2-CZ 3.52Å; Y1683-F1801 HydrophobicContact CE2-CZ 3.52Å; Y1683-F1801 HydrophobicContact CG-CE2 4.44Å; Y1683-F1801 HydrophobicContact CG-CZ 4.44Å; Y1683-F1801 AromaticContact CZ-CE2 3.98Å; Y1683-F1801 AromaticContact CZ-CZ 3.86Å
1684	R	80.4	Confident	79	Confident	96 Å²	96	43.2 Å²	43.2	36%	0.362	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	125.1	173	-39.1	179.9	93.4	-139.8	-3.2	107.4	A1591 S1593 E1594 Q1682 Q1691	A1591-R1684 HydrophobicContact CB-CB 4.02Å; S1593-R1684 WeakPolarHBondContact O-CA 3.19Å; E1594-R1684 HydrophobicContact CG-CG 4.23Å; E1594-R1684 IonicContact OE1-CZ 3.25Å; E1594-R1684 IonicContact OE1-NE 3.85Å; E1594-R1684 PolarHBondContact OE1-NE 2.79Å; E1594-R1684 IonicContact OE1-NH2 3.31Å; E1594-R1684 IonicContact OE2-CZ 3.99Å; E1594-R1684 VanDerWaalsContact OE2-CZ 3.27Å; E1594-R1684 IonicContact OE2-NE 3.53Å; E1594-R1684 PolarHBondContact OE2-NE 3.42Å; E1594-R1684 IonicContact OE2-NH2 2.72Å; E1594-R1684 PolarHBondContact OE2-NH2 3.11Å; Q1682-R1684 HydrophobicContact CG-CG 4Å; R1684-Q1691 HydrophobicContact CB-CB 4.25Å; R1684-Q1691 HydrophobicContact CG-CB 4.49Å; R1684-Q1691 PolarHBondContact N-O 3.42Å; R1684-Q1691 PolarHBondContact O-N 2.76Å
1685	Q	74.6	Confident	79.4	Confident	84 Å²	84	46.4 Å²	46.4	39%	0.393	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.6	173.5	174.6	-174.2	4.6	0	0	108.3	A1591 D1592 S1593 Y1683 L1690	A1591-Q1685 CarbonylContact C-O 3.58Å; A1591-Q1685 WeakPolarHBondContact CA-O 3.48Å; D1592-Q1685 PolarHBondContact N-O 2.71Å; S1593-Q1685 PolarHBondContact N-O 3.13Å; S1593-Q1685 PolarHBondContact O-N 2.99Å; Y1683-Q1685 HydrophobicContact CE1-CB 3.67Å; Y1683-Q1685 PolarHBondContact OH-OE1 2.83Å; Y1683-Q1685 VanDerWaalsContact OH-OE1 3.09Å; Q1685-L1690 HydrophobicContact CB-CD1 4.33Å
1686	S	71.9	Confident	79.8	Confident	9 Å²	9	41.3 Å²	41.3	6%	0.063	19%	0.192	C	C	.	.			trans	-117.7	-166.1	162	56.3	0	0	0	0	109.5	E1589 D1592 H1688 D1689	E1589-S1686 VanDerWaalsContact OE2-CB 3.24Å; E1589-S1686 WeakPolarHBondContact OE2-CB 3.31Å; E1589-S1686 PolarHBondContact OE2-OG 2.88Å; D1592-S1686 VanDerWaalsContact OD2-CA 3.28Å; D1592-S1686 WeakPolarHBondContact OD2-CA 3.5Å; S1686-H1688 VanDerWaalsContact C-N 3.35Å; S1686-D1689 PolarHBondContact N-O 3.03Å; S1686-D1689 WeakPolarHBondContact OG-CB 3.44Å; S1686-D1689 PolarHBondContact OG-N 2.78Å; S1686-D1689 VanDerWaalsContact OG-N 3.15Å; S1686-D1689 PolarHBondContact OG-O 2.7Å
1687	Q	67.8	Low	80	Confident	144 Å²	144	39.3 Å²	39.3	67%	0.673	18%	0.183	S	C	*	.	S	Bend	trans	-70.8	-34.6	-179	-51	-177	7.5	0	0	111.1	E1589 D1592	E1589-Q1687 WeakPolarHBondContact OE1-CA 3.09Å; E1589-Q1687 WeakPolarHBondContact OE1-CB 3.47Å; E1589-Q1687 PolarHBondContact OE1-N 2.88Å; E1589-Q1687 VanDerWaalsContact OE1-N 3.08Å; D1592-Q1687 VanDerWaalsContact OD2-CG 3.29Å; D1592-Q1687 WeakPolarHBondContact OD2-CG 3.14Å; D1592-Q1687 PolarHBondContact OD2-N 3.45Å; D1592-Q1687 VanDerWaalsContact OD2-N 3.11Å
1688	H	72.4	Confident	80.1	Confident	58 Å²	58	39.4 Å²	39.4	27%	0.269	18%	0.184	S	C	.	.	S	Bend	trans	-110.6	-30	-176.6	-55	89	0	0	0	114.3	E1589 S1686 R1742 N1743	E1589-H1688 IonicContact OE1-CE1 2.7Å; E1589-H1688 IonicContact OE1-CG 3.71Å; E1589-H1688 PolarHBondContact OE1-N 3.42Å; E1589-H1688 VanDerWaalsContact OE1-N 3.08Å; E1589-H1688 IonicContact OE1-ND1 2.66Å; E1589-H1688 PolarHBondContact OE1-ND1 3.17Å; E1589-H1688 PolarHBondContact OE2-N 3.2Å; E1589-H1688 IonicContact OE2-ND1 2.69Å; S1686-H1688 VanDerWaalsContact C-N 3.35Å; H1688-R1742 CarbonylContact O-C 3.47Å; H1688-R1742 WeakPolarHBondContact O-CA 3.43Å; H1688-N1743 PolarHBondContact O-N 2.91Å
1689	D	74.6	Confident	80.3	Confident	39 Å²	39	39.7 Å²	39.7	21%	0.209	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.9	-174.7	-80.9	12.2	0	0	0	114.1	S1686 R1742	S1686-D1689 PolarHBondContact N-O 3.03Å; S1686-D1689 WeakPolarHBondContact OG-CB 3.44Å; S1686-D1689 PolarHBondContact OG-N 2.78Å; S1686-D1689 VanDerWaalsContact OG-N 3.15Å; S1686-D1689 PolarHBondContact OG-O 2.7Å; D1689-R1742 WeakPolarHBondContact OD1-CD 3.4Å; D1689-R1742 WeakPolarHBondContact OD1-CG 3.07Å; D1689-R1742 IonicContact OD1-CZ 3.78Å; D1689-R1742 IonicContact OD1-NE 3.63Å; D1689-R1742 PolarHBondContact OD1-NE 3.39Å; D1689-R1742 IonicContact OD1-NH2 3.74Å; D1689-R1742 IonicContact OD2-CZ 2.77Å; D1689-R1742 VanDerWaalsContact OD2-CZ 3.25Å; D1689-R1742 IonicContact OD2-NE 2.78Å; D1689-R1742 PolarHBondContact OD2-NE 2.83Å; D1689-R1742 IonicContact OD2-NH2 3.13Å; D1689-R1742 PolarHBondContact OD2-NH2 2.91Å
1690	L	79.1	Confident	80.6	Confident	41 Å²	41	39.7 Å²	39.7	22%	0.215	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	115.4	175.3	176.5	63.1	0	0	0	110.8	Y1683 Q1685 I1692 I1740 V1741	Y1683-L1690 HydrophobicContact CD2-CD1 4.29Å; Y1683-L1690 HydrophobicContact CE2-CD1 3.48Å; Y1683-L1690 VanDerWaalsContact CE2-CD1 3.48Å; Q1685-L1690 HydrophobicContact CB-CD1 4.33Å; L1690-I1692 HydrophobicContact CD1-CG1 4.36Å; L1690-I1692 HydrophobicContact CG-CG1 4.48Å; L1690-I1740 WeakPolarHBondContact O-CA 3.12Å; L1690-V1741 HydrophobicContact CB-CB 4.45Å; L1690-V1741 PolarHBondContact N-O 2.79Å; L1690-V1741 PolarHBondContact O-N 2.94Å
1691	Q	84.7	Confident	80.8	Confident	57 Å²	57	39.6 Å²	39.6	27%	0.266	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.4	177.5	175.6	169.7	57.5	0	0	111.2	Y1683 R1684 I1740	Y1683-Q1691 CarbonylContact C-O 3.48Å; Y1683-Q1691 WeakPolarHBondContact CA-O 3.31Å; R1684-Q1691 HydrophobicContact CB-CB 4.25Å; R1684-Q1691 HydrophobicContact CG-CB 4.49Å; R1684-Q1691 PolarHBondContact N-O 3.42Å; R1684-Q1691 PolarHBondContact O-N 2.76Å; Q1691-I1740 HydrophobicContact CG-CG1 4.26Å
1692	I	82.5	Confident	81.1	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.6	174	-48.5	-174.1	0	0	0	108.8	T1189 Y1683 L1690 V1694 T1738 H1739	T1189-I1692 VanDerWaalsContact O-CG2 3.31Å; T1189-I1692 WeakPolarHBondContact O-CG2 3.46Å; Y1683-I1692 HydrophobicContact CD2-CD1 4.26Å; Y1683-I1692 HydrophobicContact CD2-CG1 3.96Å; Y1683-I1692 HydrophobicContact CE2-CD1 4.33Å; Y1683-I1692 HydrophobicContact CE2-CG1 4.34Å; L1690-I1692 HydrophobicContact CD1-CG1 4.36Å; L1690-I1692 HydrophobicContact CG-CG1 4.48Å; I1692-V1694 HydrophobicContact CG2-CG2 4.25Å; I1692-T1738 CarbonylContact O-C 3.51Å; I1692-T1738 WeakPolarHBondContact O-CA 3.38Å; I1692-H1739 HydrophobicContact CB-CB 4.38Å; I1692-H1739 PolarHBondContact N-O 2.68Å; I1692-H1739 PolarHBondContact O-N 2.76Å
1693	H	88.4	Confident	81.2	Confident	42 Å²	42	37.2 Å²	37.2	19%	0.194	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	116.9	-177.8	177.6	-149.2	0	0	0	110.4	L1681 Q1682 R1695 E1736 F1737 T1738	L1681-H1693 CarbonylContact C-O 3.42Å; L1681-H1693 WeakPolarHBondContact CA-O 3.27Å; Q1682-H1693 HydrophobicContact CB-CB 4.39Å; Q1682-H1693 PolarHBondContact N-O 2.66Å; Q1682-H1693 PolarHBondContact O-N 2.81Å; H1693-R1695 PolarHBondContact CE1-NE 2.86Å; H1693-R1695 PolarHBondContact CE1-NH1 3.5Å; H1693-R1695 PolarHBondContact CE1-NH2 3.18Å; H1693-R1695 PolarHBondContact NE2-NE 3.1Å; H1693-R1695 PolarHBondContact NE2-NH2 3.49Å; H1693-E1736 IonicContact NE2-OE1 2.88Å; H1693-E1736 PolarHBondContact NE2-OE1 3.24Å; H1693-E1736 VanDerWaalsContact NE2-OE1 3.1Å; H1693-F1737 PolarHBondContact CD2-O 2.82Å; H1693-T1738 PolarHBondContact CD2-OG1 3.18Å; H1693-T1738 VanDerWaalsContact CD2-OG1 3.32Å
1694	V	84.3	Confident	81.3	Confident	12 Å²	12	36.2 Å²	36.2	7%	0.073	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.1	-173.6	-173.4	0	0	0	0	110.4	L1679 T1680 L1681 I1692 F1737	L1679-V1694 HydrophobicContact CD1-CG1 4.19Å; T1680-V1694 CarbonylContact O-C 3.51Å; T1680-V1694 WeakPolarHBondContact O-CA 3.32Å; L1681-V1694 HydrophobicContact CB-CG2 4.25Å; L1681-V1694 HydrophobicContact CD1-CG2 4.24Å; L1681-V1694 HydrophobicContact CG-CG2 4.39Å; I1692-V1694 HydrophobicContact CG2-CG2 4.25Å; V1694-F1737 HydrophobicContact CB-CB 4.39Å; V1694-F1737 HydrophobicContact CG2-CD1 4.42Å; V1694-F1737 PolarHBondContact N-O 3.48Å; V1694-F1737 PolarHBondContact O-N 2.76Å
1695	R	86.9	Confident	81.2	Confident	94 Å²	94	33 Å²	33	36%	0.355	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.8	176.2	-75.1	178.7	168.8	143.4	4.3	111	L1679 T1680 H1693 E1736	L1679-R1695 CarbonylContact C-O 3.51Å; L1679-R1695 WeakPolarHBondContact CA-O 3.29Å; T1680-R1695 PolarHBondContact N-O 2.82Å; T1680-R1695 PolarHBondContact O-N 2.82Å; H1693-R1695 PolarHBondContact CE1-NE 2.86Å; H1693-R1695 PolarHBondContact CE1-NH1 3.5Å; H1693-R1695 PolarHBondContact CE1-NH2 3.18Å; H1693-R1695 PolarHBondContact NE2-NE 3.1Å; H1693-R1695 PolarHBondContact NE2-NH2 3.49Å; R1695-E1736 HydrophobicContact CG-CB 4.48Å; R1695-E1736 HydrophobicContact CG-CG 4.12Å; R1695-E1736 IonicContact CZ-OE1 3.8Å; R1695-E1736 IonicContact NE-OE1 2.71Å; R1695-E1736 PolarHBondContact NE-OE1 2.8Å; R1695-E1736 IonicContact NH2-OE1 3.23Å; R1695-E1736 PolarHBondContact NH2-OE1 2.79Å
1696	I	84.7	Confident	81	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.015	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.7	173.2	-73.7	171.5	0	0	0	108.5	A1185 L1620 G1678 L1679 P1733 F1734 I1735	A1185-I1696 HydrophobicContact CB-CD1 4.5Å; L1620-I1696 HydrophobicContact CD1-CD1 4.19Å; L1620-I1696 HydrophobicContact CD2-CD1 4.48Å; L1620-I1696 HydrophobicContact CD2-CG2 3.88Å; G1678-I1696 WeakPolarHBondContact O-CA 3.34Å; L1679-I1696 HydrophobicContact CB-CG1 4.34Å; L1679-I1696 HydrophobicContact CD1-CD1 3.84Å; L1679-I1696 HydrophobicContact CD1-CG1 3.58Å; I1696-P1733 CarbonylContact O-C 3.56Å; I1696-F1734 WeakPolarHBondContact O-CA 3.24Å; I1696-F1734 WeakPolarHBondContact O-CB 3.33Å; I1696-F1734 PolarHBondContact O-N 3.19Å; I1696-I1735 HydrophobicContact CB-CB 4.37Å; I1696-I1735 HydrophobicContact CG2-CD1 4.45Å; I1696-I1735 PolarHBondContact N-O 2.82Å; I1696-I1735 PolarHBondContact O-N 3.04Å
1697	N	81.7	Confident	80.7	Confident	17 Å²	17	35.1 Å²	35.1	9%	0.091	20%	0.196	C	C	.	.			trans	-91.6	-34.2	-165.6	-73.8	-59.2	0	0	0	114	T1623 Q1676 S1677 G1678 P1733 F1734	T1623-N1697 HydrophobicContact CG2-CB 3.95Å; Q1676-N1697 WeakPolarHBondContact CB-ND2 3.05Å; S1677-N1697 PolarHBondContact O-ND2 3.36Å; G1678-N1697 PolarHBondContact O-N 3.19Å; G1678-N1697 VanDerWaalsContact O-N 3.16Å; N1697-P1733 WeakPolarHBondContact OD1-CA 3.08Å; N1697-P1733 WeakPolarHBondContact OD1-CB 3.46Å; N1697-F1734 WeakPolarHBondContact O-CB 3.06Å
1698	S	80.4	Confident	80.6	Confident	19 Å²	19	29.5 Å²	29.5	13%	0.133	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	130.6	170.8	-177.3	0	0	0	0	110	L1620 R1621	L1620-S1698 CarbonylContact C-O 3.58Å; L1620-S1698 WeakPolarHBondContact CA-O 3.47Å; R1621-S1698 PolarHBondContact N-O 3.32Å; R1621-S1698 PolarHBondContact NH2-OG 3.44Å; R1621-S1698 PolarHBondContact O-N 3.39Å
1699	I	82	Confident	80	Confident	5 Å²	5	30.7 Å²	30.7	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	153.4	160.8	-169.2	-171.5	0	0	0	108.9	N1184 I1618 A1619 L1620 I1701 F1714 P1716 F1734	N1184-I1699 WeakPolarHBondContact O-CD1 3.49Å; I1618-I1699 HydrophobicContact CG2-CD1 4.33Å; I1618-I1699 HydrophobicContact CG2-CG1 4.43Å; A1619-I1699 CarbonylContact O-C 3.5Å; A1619-I1699 VanDerWaalsContact O-CA 3.28Å; A1619-I1699 WeakPolarHBondContact O-CA 3.33Å; L1620-I1699 HydrophobicContact CD2-CB 4.17Å; L1620-I1699 HydrophobicContact CD2-CG1 4.07Å; I1699-I1701 HydrophobicContact CD1-CG1 4.45Å; I1699-F1714 HydrophobicContact CD1-CD1 4.46Å; I1699-F1714 HydrophobicContact CD1-CE1 4.09Å; I1699-F1714 HydrophobicContact CG2-CD1 3.98Å; I1699-F1714 HydrophobicContact CG2-CE1 3.57Å; I1699-P1716 WeakPolarHBondContact O-CD 3.35Å; I1699-F1734 HydrophobicContact CB-CD1 4.49Å; I1699-F1734 HydrophobicContact CB-CE1 4.26Å; I1699-F1734 HydrophobicContact CG2-CD1 3.74Å; I1699-F1734 HydrophobicContact CG2-CE1 3.16Å; I1699-F1734 HydrophobicContact CG2-CE2 4.43Å; I1699-F1734 HydrophobicContact CG2-CZ 3.49Å; I1699-F1734 VanDerWaalsContact CG2-CZ 3.49Å
1700	Q	85.5	Confident	79.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	145	159.3	-177.8	167.2	-45.7	0	0	110.5	I1618 A1619 D1702 T1712 F1714 A1715 K2075 I2077	I1618-Q1700 WeakPolarHBondContact CA-O 3.47Å; A1619-Q1700 PolarHBondContact N-O 2.83Å; A1619-Q1700 PolarHBondContact O-N 2.86Å; Q1700-D1702 PolarHBondContact NE2-OD1 2.85Å; Q1700-D1702 PolarHBondContact NE2-OD2 2.85Å; Q1700-T1712 HydrophobicContact CG-CG2 3.57Å; Q1700-T1712 PolarHBondContact NE2-OG1 3.17Å; Q1700-F1714 VanDerWaalsContact CA-O 3.32Å; Q1700-F1714 WeakPolarHBondContact CA-O 3.34Å; Q1700-A1715 HydrophobicContact CG-CB 4.39Å; Q1700-K2075 PolarHBondContact NE2-O 3.49Å; Q1700-I2077 HydrophobicContact CB-CD1 3.92Å; Q1700-I2077 HydrophobicContact CG-CD1 4.27Å
1701	I	86.9	Confident	79.8	Confident	34 Å²	34	35 Å²	35	17%	0.174	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115	169.9	-48.3	178.4	0	0	0	108.3	A1616 Y1617 I1618 I1699 M1713 F1714 F1770	A1616-I1701 HydrophobicContact CB-CG2 4.36Å; Y1617-I1701 WeakPolarHBondContact O-CA 3.39Å; I1618-I1701 HydrophobicContact CG1-CG1 4.16Å; I1618-I1701 HydrophobicContact CG1-CG2 3.98Å; I1618-I1701 HydrophobicContact CG2-CG1 4.31Å; I1699-I1701 HydrophobicContact CD1-CG1 4.45Å; I1701-M1713 PolarHBondContact O-N 3.13Å; I1701-F1714 HydrophobicContact CB-CB 3.78Å; I1701-F1714 HydrophobicContact CD1-CB 3.9Å; I1701-F1714 HydrophobicContact CD1-CD1 4.32Å; I1701-F1714 HydrophobicContact CD1-CD2 4.3Å; I1701-F1714 HydrophobicContact CD1-CG 3.97Å; I1701-F1714 HydrophobicContact CG1-CB 3.79Å; I1701-F1714 HydrophobicContact CG1-CD1 4.26Å; I1701-F1714 HydrophobicContact CG1-CG 4.15Å; I1701-F1714 PolarHBondContact N-O 3.42Å; I1701-F1714 PolarHBondContact O-N 3.4Å; I1701-F1770 HydrophobicContact CG2-CZ 4.48Å
1702	D	87	Confident	79.5	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	141	176	-70.4	-32.4	0	0	0	111.5	A1616 Y1617 Q1700 R1711 T1712 R2076 I2077	A1616-D1702 VanDerWaalsContact CA-O 3.31Å; A1616-D1702 WeakPolarHBondContact CA-O 3.48Å; Y1617-D1702 PolarHBondContact N-O 2.84Å; Y1617-D1702 PolarHBondContact O-N 2.88Å; Q1700-D1702 PolarHBondContact NE2-OD1 2.85Å; Q1700-D1702 PolarHBondContact NE2-OD2 2.85Å; D1702-R1711 WeakPolarHBondContact CA-O 3.47Å; D1702-T1712 WeakPolarHBondContact OD1-CB 3.32Å; D1702-T1712 PolarHBondContact OD1-OG1 2.87Å; D1702-R2076 HydrophobicContact CB-CB 4.38Å; D1702-R2076 WeakPolarHBondContact OD1-CA 3.39Å; D1702-R2076 WeakPolarHBondContact OD2-CA 3.22Å; D1702-I2077 PolarHBondContact OD2-N 3.03Å
1703	N	86	Confident	79.2	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	115	171.8	-172.5	-15.5	0	0	0	108.6	L1705 C1708 F1710 R1711 M1713 D1767 F1770	N1703-L1705 WeakPolarHBondContact OD1-CB 3.49Å; N1703-L1705 WeakPolarHBondContact OD1-CG 3.42Å; N1703-L1705 PolarHBondContact OD1-N 2.93Å; N1703-L1705 VanDerWaalsContact OD1-N 3.16Å; N1703-C1708 HydrophobicContact CB-CB 4.08Å; N1703-C1708 WeakPolarHBondContact ND2-CB 3.29Å; N1703-F1710 WeakPolarHBondContact CB-O 3.41Å; N1703-F1710 PolarHBondContact ND2-O 3.24Å; N1703-R1711 PolarHBondContact N-O 3.33Å; N1703-M1713 HydrophobicContact CB-CG 3.89Å; N1703-M1713 HydrophobicContact CB-SD 4.37Å; N1703-D1767 PolarHBondContact ND2-OD2 3.42Å; N1703-F1770 HydrophobicContact CB-CD2 4.1Å
1704	Q	84.7	Confident	79	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.019	18%	0.184	C	C	.	.			trans	-99.3	6.3	-176.7	-63.8	-64.8	-10.1	0	0	112.7	E1614 V1615 R2078 P2080	E1614-Q1704 HydrophobicContact CB-CB 4.13Å; E1614-Q1704 HydrophobicContact CG-CB 3.9Å; E1614-Q1704 HydrophobicContact CG-CG 4.13Å; V1615-Q1704 PolarHBondContact O-N 3.22Å; Q1704-R2078 PolarHBondContact NE2-O 2.9Å; Q1704-P2080 WeakPolarHBondContact O-CG 3.42Å
1705	L	80.2	Confident	78.6	Confident	28 Å²	28	32.2 Å²	32.2	15%	0.147	18%	0.182	C	C	.	.	S	Bend	trans	-70.9	136.1	175.9	-60.6	176.4	0	0	0	112	V1615 N1703 G1707 C1708 G1769 F1770 A1773	V1615-L1705 HydrophobicContact CG1-CD2 4.49Å; V1615-L1705 HydrophobicContact CG2-CD2 4.46Å; N1703-L1705 WeakPolarHBondContact OD1-CB 3.49Å; N1703-L1705 WeakPolarHBondContact OD1-CG 3.42Å; N1703-L1705 PolarHBondContact OD1-N 2.93Å; N1703-L1705 VanDerWaalsContact OD1-N 3.16Å; L1705-G1707 PolarHBondContact O-N 3.31Å; L1705-G1707 VanDerWaalsContact O-N 3.13Å; L1705-C1708 PolarHBondContact O-N 2.69Å; L1705-C1708 PolarHBondContact O-SG 2.98Å; L1705-G1769 VanDerWaalsContact CD1-C 3.5Å; L1705-G1769 VanDerWaalsContact CD1-O 3.24Å; L1705-G1769 WeakPolarHBondContact CD1-O 3.28Å; L1705-F1770 HydrophobicContact CD1-CB 4.4Å; L1705-A1773 HydrophobicContact CD1-CB 3.77Å; L1705-A1773 HydrophobicContact CD2-CB 4.08Å; L1705-A1773 HydrophobicContact CG-CB 4.5Å
1706	S	69.7	Low	78	Confident	56 Å²	56	28.9 Å²	28.9	39%	0.392	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	107.9	171	57	0	0	0	0	110.9	K1613	K1613-S1706 PolarHBondContact NZ-OG 3.22Å
1707	G	65.2	Low	77.4	Confident	82 Å²	82	30.2 Å²	30.2	85%	0.845	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.8	19.6	179.3	0	0	0	0	0	115.7	L1705	L1705-G1707 PolarHBondContact O-N 3.31Å; L1705-G1707 VanDerWaalsContact O-N 3.13Å
1708	C	65.5	Low	76.4	Confident	26 Å²	26	31.3 Å²	31.3	18%	0.176	19%	0.189	C	C	.	.			trans	-60.5	148.4	172.2	49.6	0	0	0	0	114	N1703 L1705 D1767	N1703-C1708 HydrophobicContact CB-CB 4.08Å; N1703-C1708 WeakPolarHBondContact ND2-CB 3.29Å; L1705-C1708 PolarHBondContact O-N 2.69Å; L1705-C1708 PolarHBondContact O-SG 2.98Å; C1708-D1767 WeakPolarHBondContact CA-OD2 3.34Å; C1708-D1767 VanDerWaalsContact CB-OD2 3.25Å; C1708-D1767 WeakPolarHBondContact CB-OD2 3.35Å
1709	V	61.1	Low	75.3	Confident	83 Å²	83	33.3 Å²	33.3	50%	0.503	20%	0.2	S	C	.	.	S	Bend	trans	-84.4	-59	172.6	-175.7	0	0	0	0	108.4	R1711 D1767	V1709-R1711 PolarHBondContact O-N 3.48Å; V1709-D1767 PolarHBondContact N-OD2 2.87Å
1710	F	68.5	Low	73.6	Confident	22 Å²	22	36.2 Å²	36.2	10%	0.096	22%	0.22	C	C	.	.			trans	-91.5	99.6	175.9	-47.3	-56.3	0	0	0	110.7	N1703 T1712 K1765 D1767 E1840 Q1842	N1703-F1710 WeakPolarHBondContact CB-O 3.41Å; N1703-F1710 PolarHBondContact ND2-O 3.24Å; F1710-T1712 PolarHBondContact O-N 3.47Å; F1710-K1765 HydrophobicContact CB-CB 3.63Å; F1710-K1765 HydrophobicContact CB-CD 4.43Å; F1710-K1765 HydrophobicContact CD1-CB 3.98Å; F1710-K1765 HydrophobicContact CD1-CD 3.66Å; F1710-K1765 HydrophobicContact CD1-CG 4.47Å; F1710-K1765 HydrophobicContact CD2-CB 3.88Å; F1710-K1765 HydrophobicContact CE1-CD 4.29Å; F1710-K1765 HydrophobicContact CG-CB 3.5Å; F1710-K1765 HydrophobicContact CG-CD 4.1Å; F1710-K1765 HydrophobicContact CG-CG 4.45Å; F1710-D1767 WeakPolarHBondContact CB-OD1 3.39Å; F1710-D1767 WeakPolarHBondContact CD2-OD1 3.49Å; F1710-D1767 PolarHBondContact N-OD1 3.21Å; F1710-E1840 HydrophobicContact CE2-CB 4.22Å; F1710-E1840 HydrophobicContact CE2-CG 4.25Å; F1710-E1840 WeakPolarHBondContact CZ-OE2 3.42Å; F1710-Q1842 HydrophobicContact CE1-CG 4.4Å; F1710-Q1842 HydrophobicContact CE2-CG 4.26Å; F1710-Q1842 HydrophobicContact CZ-CG 3.65Å
1711	R	79.3	Confident	71.6	Confident	148 Å²	148	40.5 Å²	40.5	56%	0.558	24%	0.238	S	C	*	.	S	Bend	trans	-62.2	-30.5	178.6	-62	178.7	-178.6	179.8	1.2	113.1	D1702 N1703 V1709 R2076	D1702-R1711 WeakPolarHBondContact CA-O 3.47Å; N1703-R1711 PolarHBondContact N-O 3.33Å; V1709-R1711 PolarHBondContact O-N 3.48Å; R1711-R2076 HydrophobicContact CB-CB 4.48Å
1712	T	78.2	Confident	69.4	Low	15 Å²	15	43 Å²	43	9%	0.092	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.3	176.5	-64.6	0	0	0	0	107.9	Q1700 D1702 F1710 A1715 V2074 R2076	Q1700-T1712 HydrophobicContact CG-CG2 3.57Å; Q1700-T1712 PolarHBondContact NE2-OG1 3.17Å; D1702-T1712 WeakPolarHBondContact OD1-CB 3.32Å; D1702-T1712 PolarHBondContact OD1-OG1 2.87Å; F1710-T1712 PolarHBondContact O-N 3.47Å; T1712-A1715 HydrophobicContact CG2-CB 4.06Å; T1712-V2074 HydrophobicContact CG2-CB 4.26Å; T1712-V2074 HydrophobicContact CG2-CG1 4.05Å; T1712-V2074 PolarHBondContact OG1-O 2.73Å; T1712-R2076 PolarHBondContact OG1-N 3.08Å
1713	M	78.1	Confident	67.4	Low	14 Å²	14	46.2 Å²	46.2	7%	0.069	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-20.6	-171.8	-58.5	-135.5	-43.1	0	0	114.1	I1701 N1703 V1764 K1765 V1766 D1767 F1770	I1701-M1713 PolarHBondContact O-N 3.13Å; N1703-M1713 HydrophobicContact CB-CG 3.89Å; N1703-M1713 HydrophobicContact CB-SD 4.37Å; M1713-V1764 CarbonylContact O-C 3.57Å; M1713-V1764 VanDerWaalsContact O-CA 3.29Å; M1713-V1764 WeakPolarHBondContact O-CA 3.18Å; M1713-K1765 WeakPolarHBondContact CA-O 3.26Å; M1713-K1765 VanDerWaalsContact CB-O 3.27Å; M1713-K1765 WeakPolarHBondContact CB-O 3.35Å; M1713-K1765 WeakPolarHBondContact CG-O 3.33Å; M1713-K1765 PolarHBondContact O-N 2.88Å; M1713-K1765 VanDerWaalsContact SD-O 3.39Å; M1713-V1766 HydrophobicContact CE-CB 4.29Å; M1713-V1766 HydrophobicContact CE-CG1 3.68Å; M1713-V1766 HydrophobicContact CE-CG2 3.73Å; M1713-V1766 HydrophobicContact SD-CB 4.32Å; M1713-V1766 HydrophobicContact SD-CG1 3.85Å; M1713-V1766 HydrophobicContact SD-CG2 4.13Å; M1713-D1767 HydrophobicContact SD-CB 4.45Å; M1713-F1770 HydrophobicContact CE-CB 4.05Å; M1713-F1770 HydrophobicContact CE-CD1 3.17Å; M1713-F1770 HydrophobicContact CE-CD2 3.71Å; M1713-F1770 HydrophobicContact CE-CE1 3.32Å; M1713-F1770 HydrophobicContact CE-CE2 3.82Å; M1713-F1770 HydrophobicContact CE-CG 3.37Å; M1713-F1770 HydrophobicContact CE-CZ 3.64Å; M1713-F1770 HydrophobicContact SD-CB 3.72Å; M1713-F1770 HydrophobicContact SD-CD1 4.02Å; M1713-F1770 HydrophobicContact SD-CD2 3.74Å; M1713-F1770 HydrophobicContact SD-CE2 4.29Å; M1713-F1770 HydrophobicContact SD-CG 3.57Å; M1713-F1770 VanDerWaalsContact SD-CG 3.57Å
1714	F	82.9	Confident	65.5	Low	20 Å²	20	50.6 Å²	50.6	9%	0.088	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	119.7	-173.3	-171	-79.2	0	0	0	109.1	K1181 I1699 Q1700 I1701 F1734 M1762 A1763 V1764	K1181-F1714 HydrophobicContact CB-CE2 4.14Å; K1181-F1714 HydrophobicContact CB-CZ 4.48Å; K1181-F1714 HydrophobicContact CD-CE2 4.15Å; I1699-F1714 HydrophobicContact CD1-CD1 4.46Å; I1699-F1714 HydrophobicContact CD1-CE1 4.09Å; I1699-F1714 HydrophobicContact CG2-CD1 3.98Å; I1699-F1714 HydrophobicContact CG2-CE1 3.57Å; Q1700-F1714 VanDerWaalsContact CA-O 3.32Å; Q1700-F1714 WeakPolarHBondContact CA-O 3.34Å; I1701-F1714 HydrophobicContact CB-CB 3.78Å; I1701-F1714 HydrophobicContact CD1-CB 3.9Å; I1701-F1714 HydrophobicContact CD1-CD1 4.32Å; I1701-F1714 HydrophobicContact CD1-CD2 4.3Å; I1701-F1714 HydrophobicContact CD1-CG 3.97Å; I1701-F1714 HydrophobicContact CG1-CB 3.79Å; I1701-F1714 HydrophobicContact CG1-CD1 4.26Å; I1701-F1714 HydrophobicContact CG1-CG 4.15Å; I1701-F1714 PolarHBondContact N-O 3.42Å; I1701-F1714 PolarHBondContact O-N 3.4Å; F1714-F1734 HydrophobicContact CE1-CZ 4.12Å; F1714-M1762 HydrophobicContact CD1-SD 4.37Å; F1714-M1762 HydrophobicContact CD2-SD 4.47Å; F1714-M1762 HydrophobicContact CE1-CG 4.36Å; F1714-M1762 HydrophobicContact CE1-SD 3.47Å; F1714-M1762 WeakPolarHBondContact CE1-SD 3.36Å; F1714-M1762 HydrophobicContact CE2-CG 4.33Å; F1714-M1762 HydrophobicContact CE2-SD 3.61Å; F1714-M1762 HydrophobicContact CZ-CG 4.17Å; F1714-M1762 HydrophobicContact CZ-SD 3.05Å; F1714-M1762 WeakPolarHBondContact CZ-SD 3.38Å; F1714-A1763 WeakPolarHBondContact CA-O 3.09Å; F1714-V1764 HydrophobicContact CD2-CG2 3.87Å; F1714-V1764 HydrophobicContact CE2-CG2 4.4Å
1715	A	77.2	Confident	63.5	Low	5 Å²	5	57.4 Å²	57.4	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	149.8	178.4	0	0	0	0	0	113.3	R1179 Q1700 T1712 M1762 A1763 V2074	R1179-A1715 PolarHBondContact NH1-O 3.41Å; Q1700-A1715 HydrophobicContact CG-CB 4.39Å; T1712-A1715 HydrophobicContact CG2-CB 4.06Å; A1715-M1762 CarbonylContact O-C 3.27Å; A1715-M1762 WeakPolarHBondContact O-CA 3.39Å; A1715-M1762 WeakPolarHBondContact O-CB 3.28Å; A1715-A1763 PolarHBondContact N-O 2.93Å; A1715-A1763 PolarHBondContact O-N 3.06Å; A1715-V2074 HydrophobicContact CB-CB 4.06Å; A1715-V2074 HydrophobicContact CB-CG1 3.8Å; A1715-V2074 HydrophobicContact CB-CG2 3.9Å
1716	P	74.2	Confident	61.8	Low	25 Å²	25	60.9 Å²	60.9	16%	0.162	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	170.3	173.9	-22.4	27.6	0	0	0	114.9	R1179 I1699 P1718 F1734 E1761	R1179-P1716 PolarHBondContact NH1-O 2.79Å; I1699-P1716 WeakPolarHBondContact O-CD 3.35Å; P1716-P1718 WeakPolarHBondContact O-CD 3.41Å; P1716-F1734 HydrophobicContact CB-CD2 3.85Å; P1716-F1734 HydrophobicContact CB-CE2 3.95Å; P1716-F1734 HydrophobicContact CG-CD2 3.54Å; P1716-F1734 HydrophobicContact CG-CE2 3.65Å; P1716-F1734 HydrophobicContact CG-CG 4.25Å; P1716-F1734 HydrophobicContact CG-CZ 4.47Å; P1716-E1761 CarbonylContact C-O 3.47Å; P1716-E1761 VanDerWaalsContact CA-O 3.25Å; P1716-E1761 WeakPolarHBondContact CA-O 3.36Å
1717	T	70.3	Confident	60.3	Low	31 Å²	31	61 Å²	61	19%	0.19	35%	0.354	C	S	.	.			trans	-67.7	130.1	173.4	-28.4	0	0	0	0	111.8	R1179 V1719 E1761	R1179-T1717 WeakPolarHBondContact CD-OG1 3.25Å; T1717-V1719 PolarHBondContact O-N 3.3Å; T1717-E1761 WeakPolarHBondContact CG2-OE2 3.45Å; T1717-E1761 PolarHBondContact N-O 2.72Å; T1717-E1761 WeakPolarHBondContact OG1-CB 3.44Å; T1717-E1761 PolarHBondContact OG1-O 2.97Å; T1717-E1761 PolarHBondContact OG1-OE2 2.92Å
1718	P	62.3	Low	59.5	Low	39 Å²	39	64.9 Å²	64.9	25%	0.253	35%	0.347	S	S	.	.			trans	-62.2	96	141.1	-5.6	22.7	0	0	0	106.6	P1716 E2072 V2074	P1716-P1718 WeakPolarHBondContact O-CD 3.41Å; P1718-E2072 HydrophobicContact CB-CB 4.22Å; P1718-E2072 WeakPolarHBondContact CG-O 3.46Å; P1718-V2074 HydrophobicContact CG-CG2 4.33Å
1719	V	56.6	Low	58.8	Low	61 Å²	61	65.9 Å²	65.9	37%	0.37	36%	0.358	S	S	.	.			trans	-49.4	138.7	-176.5	-173.7	0	0	0	0	110	T1717 V1723 F1724	T1717-V1719 PolarHBondContact O-N 3.3Å; V1719-V1723 HydrophobicContact CG1-CB 3.75Å; V1719-V1723 HydrophobicContact CG1-CG1 4Å; V1719-V1723 HydrophobicContact CG1-CG2 4.02Å; V1719-F1724 HydrophobicContact CB-CE2 3.95Å; V1719-F1724 HydrophobicContact CB-CZ 4.42Å; V1719-F1724 WeakPolarHBondContact O-CD2 3.27Å; V1719-F1724 WeakPolarHBondContact O-CE2 3.32Å
1720	P	46.4	Very low	58.7	Low	66 Å²	66	65.3 Å²	65.3	43%	0.429	35%	0.354	S	S	.	.			trans	-55	143.4	-178.4	-28	36.2	0	0	0	113.2	S1722 V1723 F1724	P1720-S1722 PolarHBondContact O-N 3.11Å; P1720-V1723 HydrophobicContact CB-CG2 4.4Å; P1720-V1723 PolarHBondContact O-N 2.9Å; P1720-F1724 PolarHBondContact O-N 3.01Å
1721	K	42.6	Very low	58.4	Low	91 Å²	91	67 Å²	67	40%	0.396	37%	0.368	S	S	.	.	H	α-helix	trans	-60.3	-26.9	-178.8	-69.2	175.3	-169.2	158.7	0	113	F1724 K1725 A2068	K1721-F1724 WeakPolarHBondContact O-CA 3.1Å; K1721-F1724 WeakPolarHBondContact O-CB 3.35Å; K1721-F1724 PolarHBondContact O-N 3.41Å; K1721-F1724 VanDerWaalsContact O-N 3.11Å; K1721-K1725 PolarHBondContact O-N 3.31Å; K1721-A2068 VanDerWaalsContact NZ-C 3.33Å; K1721-A2068 PolarHBondContact NZ-O 2.92Å
1722	S	41.5	Very low	58.1	Low	85 Å²	85	67.3 Å²	67.3	59%	0.594	37%	0.373	S	S	*	.	H	α-helix	trans	-57.7	-44.8	171.3	47.7	0	0	0	0	112.4	P1720 F1724 K1725	P1720-S1722 PolarHBondContact O-N 3.11Å; S1722-F1724 VanDerWaalsContact C-N 3.25Å; S1722-F1724 PolarHBondContact O-N 3.07Å; S1722-K1725 WeakPolarHBondContact O-CB 3.44Å; S1722-K1725 PolarHBondContact O-N 3.38Å; S1722-K1725 VanDerWaalsContact O-N 3.08Å
1723	V	45.3	Very low	58	Low	69 Å²	69	67.5 Å²	67.5	42%	0.418	38%	0.375	S	S	.	.	H	α-helix	trans	-67.4	-29.1	175.6	-168.5	0	0	0	0	111.3	V1719 P1720 K1725 V1726	V1719-V1723 HydrophobicContact CG1-CB 3.75Å; V1719-V1723 HydrophobicContact CG1-CG1 4Å; V1719-V1723 HydrophobicContact CG1-CG2 4.02Å; P1720-V1723 HydrophobicContact CB-CG2 4.4Å; P1720-V1723 PolarHBondContact O-N 2.9Å; V1723-K1725 VanDerWaalsContact C-N 3.29Å; V1723-K1725 PolarHBondContact O-N 3.04Å; V1723-V1726 WeakPolarHBondContact O-CB 3.49Å; V1723-V1726 PolarHBondContact O-N 2.9Å
1724	F	45.1	Very low	58.2	Low	92 Å²	92	66.9 Å²	66.9	40%	0.404	37%	0.372	S	S	.	.	H	α-helix	trans	-70.4	-14.2	172.7	-77.3	-75	0	0	0	114.2	V1639 V1719 P1720 K1721 S1722 V1726	V1639-F1724 HydrophobicContact CB-CD1 4.24Å; V1639-F1724 HydrophobicContact CB-CE1 3.85Å; V1639-F1724 HydrophobicContact CG1-CE1 3.88Å; V1639-F1724 HydrophobicContact CG2-CD1 4.47Å; V1639-F1724 HydrophobicContact CG2-CE1 3.96Å; V1719-F1724 HydrophobicContact CB-CE2 3.95Å; V1719-F1724 HydrophobicContact CB-CZ 4.42Å; V1719-F1724 WeakPolarHBondContact O-CD2 3.27Å; V1719-F1724 WeakPolarHBondContact O-CE2 3.32Å; P1720-F1724 PolarHBondContact O-N 3.01Å; K1721-F1724 WeakPolarHBondContact O-CA 3.1Å; K1721-F1724 WeakPolarHBondContact O-CB 3.35Å; K1721-F1724 PolarHBondContact O-N 3.41Å; K1721-F1724 VanDerWaalsContact O-N 3.11Å; S1722-F1724 VanDerWaalsContact C-N 3.25Å; S1722-F1724 PolarHBondContact O-N 3.07Å; F1724-V1726 PolarHBondContact O-N 3.14Å
1725	K	43.3	Very low	58.2	Low	147 Å²	147	66.5 Å²	66.5	64%	0.639	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.7	165.2	-78.2	-173	174.3	178.4	0	110.7	K1721 S1722 V1723 A1727 E1916	K1721-K1725 PolarHBondContact O-N 3.31Å; S1722-K1725 WeakPolarHBondContact O-CB 3.44Å; S1722-K1725 PolarHBondContact O-N 3.38Å; S1722-K1725 VanDerWaalsContact O-N 3.08Å; V1723-K1725 VanDerWaalsContact C-N 3.29Å; V1723-K1725 PolarHBondContact O-N 3.04Å; K1725-A1727 PolarHBondContact O-N 2.64Å; K1725-E1916 IonicContact NZ-OE1 3.63Å; K1725-E1916 IonicContact NZ-OE2 3.1Å; K1725-E1916 PolarHBondContact NZ-OE2 2.9Å
1726	V	43.6	Very low	58.7	Low	102 Å²	102	67.1 Å²	67.1	62%	0.618	37%	0.372	S	S	*	.	S	Bend	trans	-86.9	109.3	-177.1	-169.8	0	0	0	0	112	V1723 F1724 F1728	V1723-V1726 WeakPolarHBondContact O-CB 3.49Å; V1723-V1726 PolarHBondContact O-N 2.9Å; F1724-V1726 PolarHBondContact O-N 3.14Å; V1726-F1728 VanDerWaalsContact C-N 3.3Å; V1726-F1728 PolarHBondContact O-N 3.03Å
1727	A	38.5	Very low	59.4	Low	59 Å²	59	67.6 Å²	67.6	49%	0.488	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	5.7	-152.2	0	0	0	0	0	120.1	K1725	K1725-A1727 PolarHBondContact O-N 2.64Å
1728	F	48.4	Very low	60.1	Low	162 Å²	162	66.8 Å²	66.8	71%	0.711	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.2	21.7	-173.8	-62.4	-69.5	0	0	0	115.6	V1726 V1730	V1726-F1728 VanDerWaalsContact C-N 3.3Å; V1726-F1728 PolarHBondContact O-N 3.03Å; F1728-V1730 PolarHBondContact O-N 2.98Å
1729	A	51.7	Low	61.2	Low	48 Å²	48	65.3 Å²	65.3	40%	0.397	36%	0.356	S	S	.	.			trans	-68.9	82.9	-176.7	0	0	0	0	0	114.3
1730	V	59	Low	62.5	Low	70 Å²	70	63.8 Å²	63.8	42%	0.424	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-61.7	137.3	162.6	179.7	0	0	0	0	108.9	I1626 A1636 F1728 K1732	I1626-V1730 HydrophobicContact CD1-CG1 4.43Å; A1636-V1730 HydrophobicContact CB-CG2 3.95Å; F1728-V1730 PolarHBondContact O-N 2.98Å; V1730-K1732 PolarHBondContact O-N 3.09Å
1731	P	62.4	Low	64.1	Low	59 Å²	59	61.1 Å²	61.1	38%	0.383	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-55	123.7	173.6	-25.2	34.6	0	0	0	111.2	T1623	T1623-P1731 HydrophobicContact CG2-CB 3.99Å; T1623-P1731 HydrophobicContact CG2-CG 4.5Å
1732	K	71.9	Confident	65.7	Low	153 Å²	153	61.8 Å²	61.8	67%	0.665	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-77.5	149	174.4	-69.3	179.4	-179.4	178.1	0	109.7	V1730 F1734 Q1760	V1730-K1732 PolarHBondContact O-N 3.09Å; K1732-F1734 PolarHBondContact O-N 2.76Å; K1732-Q1760 VanDerWaalsContact CB-NE2 3.32Å; K1732-Q1760 PolarHBondContact O-NE2 3.45Å
1733	P	76.9	Confident	67.1	Low	20 Å²	20	61.7 Å²	61.7	13%	0.13	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-63.5	130.9	173.3	27.2	-34.8	0	0	0	110.5	I1696 N1697 I1735 E1736 Q1760	I1696-P1733 CarbonylContact O-C 3.56Å; N1697-P1733 WeakPolarHBondContact OD1-CA 3.08Å; N1697-P1733 WeakPolarHBondContact OD1-CB 3.46Å; P1733-I1735 VanDerWaalsContact C-N 3.31Å; P1733-I1735 PolarHBondContact O-N 3.47Å; P1733-E1736 HydrophobicContact CB-CB 4.4Å; P1733-E1736 HydrophobicContact CG-CB 3.93Å; P1733-Q1760 PolarHBondContact O-NE2 3.36Å
1734	F	81.6	Confident	68	Low	1 Å²	1	61.1 Å²	61.1	0%	0.004	32%	0.319	C	S	.	.	S	Bend	trans	-61.6	-38.2	-178.6	176.7	-102.2	0	0	0	112.9	I1696 N1697 I1699 F1714 P1716 K1732 Q1760 M1762	I1696-F1734 WeakPolarHBondContact O-CA 3.24Å; I1696-F1734 WeakPolarHBondContact O-CB 3.33Å; I1696-F1734 PolarHBondContact O-N 3.19Å; N1697-F1734 WeakPolarHBondContact O-CB 3.06Å; I1699-F1734 HydrophobicContact CB-CD1 4.49Å; I1699-F1734 HydrophobicContact CB-CE1 4.26Å; I1699-F1734 HydrophobicContact CG2-CD1 3.74Å; I1699-F1734 HydrophobicContact CG2-CE1 3.16Å; I1699-F1734 HydrophobicContact CG2-CE2 4.43Å; I1699-F1734 HydrophobicContact CG2-CZ 3.49Å; I1699-F1734 VanDerWaalsContact CG2-CZ 3.49Å; F1714-F1734 HydrophobicContact CE1-CZ 4.12Å; P1716-F1734 HydrophobicContact CB-CD2 3.85Å; P1716-F1734 HydrophobicContact CB-CE2 3.95Å; P1716-F1734 HydrophobicContact CG-CD2 3.54Å; P1716-F1734 HydrophobicContact CG-CE2 3.65Å; P1716-F1734 HydrophobicContact CG-CG 4.25Å; P1716-F1734 HydrophobicContact CG-CZ 4.47Å; K1732-F1734 PolarHBondContact O-N 2.76Å; F1734-Q1760 HydrophobicContact CD2-CB 3.95Å; F1734-Q1760 PolarHBondContact O-N 2.76Å; F1734-M1762 HydrophobicContact CE1-CE 3.97Å; F1734-M1762 HydrophobicContact CE2-CB 4.09Å; F1734-M1762 HydrophobicContact CE2-CE 3.4Å; F1734-M1762 VanDerWaalsContact CE2-CE 3.4Å; F1734-M1762 HydrophobicContact CE2-SD 4.36Å; F1734-M1762 HydrophobicContact CZ-CB 4.2Å; F1734-M1762 HydrophobicContact CZ-CE 3.04Å; F1734-M1762 HydrophobicContact CZ-SD 3.7Å
1735	I	84	Confident	68.7	Low	11 Å²	11	63.1 Å²	63.1	6%	0.056	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.6	166.6	-58.7	148.4	0	0	0	107.8	N1183 N1184 I1696 P1733 L1757 L1758	N1183-I1735 HydrophobicContact CB-CD1 4.5Å; N1184-I1735 VanDerWaalsContact C-CD1 3.49Å; I1696-I1735 HydrophobicContact CB-CB 4.37Å; I1696-I1735 HydrophobicContact CG2-CD1 4.45Å; I1696-I1735 PolarHBondContact N-O 2.82Å; I1696-I1735 PolarHBondContact O-N 3.04Å; P1733-I1735 VanDerWaalsContact C-N 3.31Å; P1733-I1735 PolarHBondContact O-N 3.47Å; I1735-L1757 HydrophobicContact CG2-CD1 4.14Å; I1735-L1758 VanDerWaalsContact CA-O 3.31Å; I1735-L1758 WeakPolarHBondContact CA-O 3.29Å
1736	E	87.7	Confident	69.4	Low	19 Å²	19	61.8 Å²	61.8	9%	0.089	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.5	171.2	176.9	176	-114.4	0	0	109.4	H1693 R1695 P1733 K1756 L1757 L1758	H1693-E1736 IonicContact NE2-OE1 2.88Å; H1693-E1736 PolarHBondContact NE2-OE1 3.24Å; H1693-E1736 VanDerWaalsContact NE2-OE1 3.1Å; R1695-E1736 HydrophobicContact CG-CB 4.48Å; R1695-E1736 HydrophobicContact CG-CG 4.12Å; R1695-E1736 IonicContact CZ-OE1 3.8Å; R1695-E1736 IonicContact NE-OE1 2.71Å; R1695-E1736 PolarHBondContact NE-OE1 2.8Å; R1695-E1736 IonicContact NH2-OE1 3.23Å; R1695-E1736 PolarHBondContact NH2-OE1 2.79Å; P1733-E1736 HydrophobicContact CB-CB 4.4Å; P1733-E1736 HydrophobicContact CG-CB 3.93Å; E1736-K1756 IonicContact OE2-NZ 3Å; E1736-K1756 PolarHBondContact OE2-NZ 2.85Å; E1736-L1757 CarbonylContact O-C 3.51Å; E1736-L1757 WeakPolarHBondContact O-CA 3.34Å; E1736-L1758 HydrophobicContact CB-CB 4.37Å; E1736-L1758 PolarHBondContact N-O 3.15Å; E1736-L1758 VanDerWaalsContact N-O 3.07Å; E1736-L1758 PolarHBondContact O-N 3.44Å
1737	F	88.2	Confident	70.1	Confident	34 Å²	34	59 Å²	59	15%	0.149	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.1	173.3	177.5	-117.9	0	0	0	109.6	H1693 V1694 H1739 K1756 L1757	H1693-F1737 PolarHBondContact CD2-O 2.82Å; V1694-F1737 HydrophobicContact CB-CB 4.39Å; V1694-F1737 HydrophobicContact CG2-CD1 4.42Å; V1694-F1737 PolarHBondContact N-O 3.48Å; V1694-F1737 PolarHBondContact O-N 2.76Å; F1737-H1739 HydrophobicContact CE1-CB 4.08Å; F1737-H1739 HydrophobicContact CE2-CB 4.46Å; F1737-H1739 HydrophobicContact CZ-CB 3.78Å; F1737-K1756 CarbonylContact C-O 3.53Å; F1737-K1756 VanDerWaalsContact CA-O 3.28Å; F1737-K1756 WeakPolarHBondContact CA-O 3.28Å; F1737-K1756 WeakPolarHBondContact CD2-O 3.45Å; F1737-L1757 HydrophobicContact CB-CD1 4.13Å; F1737-L1757 HydrophobicContact CD2-CB 4.22Å; F1737-L1757 HydrophobicContact CD2-CD1 4.35Å
1738	T	85.8	Confident	71.3	Confident	14 Å²	14	63 Å²	63	9%	0.086	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	136.2	173.4	-50.2	0	0	0	0	108.5	I1692 H1693 I1740 Y1754 C1755 K1756	I1692-T1738 CarbonylContact O-C 3.51Å; I1692-T1738 WeakPolarHBondContact O-CA 3.38Å; H1693-T1738 PolarHBondContact CD2-OG1 3.18Å; H1693-T1738 VanDerWaalsContact CD2-OG1 3.32Å; T1738-I1740 HydrophobicContact CG2-CG1 4.33Å; T1738-Y1754 HydrophobicContact CG2-CD1 3.83Å; T1738-Y1754 HydrophobicContact CG2-CE1 4.15Å; T1738-C1755 CarbonylContact O-C 3.5Å; T1738-C1755 VanDerWaalsContact O-CA 3.26Å; T1738-C1755 WeakPolarHBondContact O-CA 3.39Å; T1738-K1756 PolarHBondContact N-O 3Å; T1738-K1756 PolarHBondContact O-N 2.86Å
1739	H	84.1	Confident	72.2	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	126.8	178.1	-170.6	-130.8	0	0	0	108.7	I1692 F1737 V1741 Y1754	I1692-H1739 HydrophobicContact CB-CB 4.38Å; I1692-H1739 PolarHBondContact N-O 2.68Å; I1692-H1739 PolarHBondContact O-N 2.76Å; F1737-H1739 HydrophobicContact CE1-CB 4.08Å; F1737-H1739 HydrophobicContact CE2-CB 4.46Å; F1737-H1739 HydrophobicContact CZ-CB 3.78Å; H1739-V1741 WeakPolarHBondContact CE1-CG2 3.25Å; H1739-Y1754 CarbonylContact C-O 3.48Å; H1739-Y1754 WeakPolarHBondContact CA-O 2.98Å
1740	I	84.8	Confident	73.1	Confident	30 Å²	30	56.9 Å²	56.9	15%	0.154	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.4	179.3	-50.5	-178.9	0	0	0	107.7	L1690 Q1691 T1738 V1752 Q1753 Y1754	L1690-I1740 WeakPolarHBondContact O-CA 3.12Å; Q1691-I1740 HydrophobicContact CG-CG1 4.26Å; T1738-I1740 HydrophobicContact CG2-CG1 4.33Å; I1740-V1752 CarbonylContact O-C 3.43Å; I1740-Q1753 HydrophobicContact CB-CB 4.39Å; I1740-Q1753 HydrophobicContact CG2-CB 4.2Å; I1740-Q1753 PolarHBondContact O-N 3.39Å; I1740-Y1754 PolarHBondContact N-O 3.41Å; I1740-Y1754 PolarHBondContact O-N 3Å
1741	V	79.8	Confident	74.1	Confident	10 Å²	10	56.2 Å²	56.2	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.8	-173.8	179.4	0	0	0	0	110.1	L1690 H1739 P1750 Y1751 V1752	L1690-V1741 HydrophobicContact CB-CB 4.45Å; L1690-V1741 PolarHBondContact N-O 2.79Å; L1690-V1741 PolarHBondContact O-N 2.94Å; H1739-V1741 WeakPolarHBondContact CE1-CG2 3.25Å; V1741-P1750 HydrophobicContact CG1-CB 3.54Å; V1741-Y1751 CarbonylContact C-O 3.59Å; V1741-Y1751 VanDerWaalsContact CA-O 3.25Å; V1741-Y1751 WeakPolarHBondContact CA-O 3.33Å; V1741-V1752 HydrophobicContact CG2-CG2 4.24Å
1742	R	77.2	Confident	74.9	Confident	104 Å²	104	53.6 Å²	53.6	39%	0.392	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141.1	167.7	-46.5	-164.1	122.5	-173.2	-6.1	110.9	H1688 D1689 P1744 Y1751	H1688-R1742 CarbonylContact O-C 3.47Å; H1688-R1742 WeakPolarHBondContact O-CA 3.43Å; D1689-R1742 WeakPolarHBondContact OD1-CD 3.4Å; D1689-R1742 WeakPolarHBondContact OD1-CG 3.07Å; D1689-R1742 IonicContact OD1-CZ 3.78Å; D1689-R1742 IonicContact OD1-NE 3.63Å; D1689-R1742 PolarHBondContact OD1-NE 3.39Å; D1689-R1742 IonicContact OD1-NH2 3.74Å; D1689-R1742 IonicContact OD2-CZ 2.77Å; D1689-R1742 VanDerWaalsContact OD2-CZ 3.25Å; D1689-R1742 IonicContact OD2-NE 2.78Å; D1689-R1742 PolarHBondContact OD2-NE 2.83Å; D1689-R1742 IonicContact OD2-NH2 3.13Å; D1689-R1742 PolarHBondContact OD2-NH2 2.91Å; R1742-P1744 WeakPolarHBondContact O-CD 3.34Å; R1742-Y1751 HydrophobicContact CB-CD1 4.24Å; R1742-Y1751 HydrophobicContact CG-CD1 4.11Å; R1742-Y1751 PolarHBondContact N-O 3.46Å; R1742-Y1751 PolarHBondContact O-N 2.73Å
1743	N	70.1	Confident	75.3	Confident	84 Å²	84	49.8 Å²	49.8	45%	0.449	26%	0.256	S	S	.	.			trans	-111.9	92.8	174.8	-67.6	-27.6	0	0	0	109.3	H1688	H1688-N1743 PolarHBondContact O-N 2.91Å
1744	P	64	Low	75.6	Confident	57 Å²	57	51.8 Å²	51.8	37%	0.37	26%	0.262	S	S	.	.			trans	-73.3	133.7	178.7	30	-33.9	0	0	0	110.9	R1742 H1746 S1747	R1742-P1744 WeakPolarHBondContact O-CD 3.34Å; P1744-H1746 PolarHBondContact O-N 2.86Å; P1744-S1747 PolarHBondContact O-N 2.63Å; P1744-S1747 VanDerWaalsContact O-N 3.12Å
1745	E	59.9	Low	75.9	Confident	134 Å²	134	51.8 Å²	51.8	63%	0.626	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.7	-32.3	-176.8	-66.5	-177.4	149.8	0	0	115.4
1746	H	58.6	Low	76	Confident	119 Å²	119	53.2 Å²	53.2	55%	0.551	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	19.6	-169.9	-55.1	-77.6	0	0	0	114.2	G1565 P1744	G1565-H1746 WeakPolarHBondContact CA-NE2 3.37Å; P1744-H1746 PolarHBondContact O-N 2.86Å
1747	S	57.3	Low	75.9	Confident	44 Å²	44	53.5 Å²	53.5	31%	0.308	27%	0.269	S	S	.	.			trans	-137	146.1	169.3	-167.3	0	0	0	0	111.9	P1744	P1744-S1747 PolarHBondContact O-N 2.63Å; P1744-S1747 VanDerWaalsContact O-N 3.12Å
1748	T	64.8	Low	75.7	Confident	142 Å²	142	53.6 Å²	53.6	87%	0.871	27%	0.272	S	S	*	.	S	Bend	trans	-89.5	1.6	178.5	50.5	0	0	0	0	113.9
1749	I	66.8	Low	75.4	Confident	48 Å²	48	53.2 Å²	53.2	25%	0.246	27%	0.269	C	S	.	.	S	Bend	trans	-120.6	125	-173	-49.4	170.8	0	0	0	110.3	D1196 N1197	D1196-I1749 WeakPolarHBondContact O-CG2 3.31Å; N1197-I1749 WeakPolarHBondContact O-CB 3.21Å; N1197-I1749 WeakPolarHBondContact O-CD1 3.07Å; N1197-I1749 WeakPolarHBondContact O-CG2 3.33Å
1750	P	70.8	Confident	75	Confident	33 Å²	33	55.4 Å²	55.4	21%	0.214	28%	0.279	C	S	.	.			trans	-69.6	143	-175.5	23.7	-31.5	0	0	0	113.6	V1741 M1858	V1741-P1750 HydrophobicContact CG1-CB 3.54Å; P1750-M1858 PolarHBondContact O-N 2.83Å; P1750-M1858 VanDerWaalsContact O-N 3.1Å
1751	Y	80.1	Confident	74.4	Confident	56 Å²	56	56.8 Å²	56.8	22%	0.22	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	107.1	176.1	177.6	-113.6	0	0	0	110.8	V1741 R1742 Q1753 S1855 F1857	V1741-Y1751 CarbonylContact C-O 3.59Å; V1741-Y1751 VanDerWaalsContact CA-O 3.25Å; V1741-Y1751 WeakPolarHBondContact CA-O 3.33Å; R1742-Y1751 HydrophobicContact CB-CD1 4.24Å; R1742-Y1751 HydrophobicContact CG-CD1 4.11Å; R1742-Y1751 PolarHBondContact N-O 3.46Å; R1742-Y1751 PolarHBondContact O-N 2.73Å; Y1751-Q1753 HydrophobicContact CD1-CB 4.15Å; Y1751-Q1753 HydrophobicContact CE1-CB 3.83Å; Y1751-Q1753 HydrophobicContact CE1-CG 4.09Å; Y1751-Q1753 PolarHBondContact O-N 2.88Å; Y1751-Q1753 VanDerWaalsContact O-N 3.11Å; Y1751-S1855 WeakPolarHBondContact OH-CB 3.39Å; Y1751-F1857 AromaticContact CD2-CD1 3.8Å; Y1751-F1857 HydrophobicContact CD2-CD1 3.8Å; Y1751-F1857 AromaticContact CD2-CD2 3.77Å; Y1751-F1857 HydrophobicContact CD2-CD2 3.77Å; Y1751-F1857 AromaticContact CD2-CE1 3.66Å; Y1751-F1857 HydrophobicContact CD2-CE1 3.66Å; Y1751-F1857 AromaticContact CD2-CE2 3.62Å; Y1751-F1857 HydrophobicContact CD2-CE2 3.62Å; Y1751-F1857 AromaticContact CD2-CG 3.85Å; Y1751-F1857 HydrophobicContact CD2-CG 3.85Å; Y1751-F1857 AromaticContact CD2-CZ 3.56Å; Y1751-F1857 HydrophobicContact CD2-CZ 3.56Å; Y1751-F1857 HydrophobicContact CE2-CD2 4.26Å; Y1751-F1857 AromaticContact CE2-CE2 3.97Å; Y1751-F1857 HydrophobicContact CE2-CE2 3.97Å; Y1751-F1857 HydrophobicContact CE2-CZ 4.21Å; Y1751-F1857 HydrophobicContact CG-CD1 4.25Å; Y1751-F1857 AromaticContact CG-CE1 3.99Å; Y1751-F1857 HydrophobicContact CG-CE1 3.99Å; Y1751-F1857 HydrophobicContact CG-CZ 4.2Å
1752	V	78.4	Confident	74.1	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	89.1	177	-172.8	0	0	0	0	109.4	I1740 V1741 Y1754 C1755 S1855 V1856 M1858	I1740-V1752 CarbonylContact O-C 3.43Å; V1741-V1752 HydrophobicContact CG2-CG2 4.24Å; V1752-Y1754 VanDerWaalsContact C-N 3.31Å; V1752-Y1754 PolarHBondContact O-N 2.79Å; V1752-C1755 HydrophobicContact CG1-CB 3.85Å; V1752-S1855 PolarHBondContact O-N 3.48Å; V1752-V1856 WeakPolarHBondContact CA-O 3.24Å; V1752-V1856 VanDerWaalsContact CB-O 3.29Å; V1752-V1856 WeakPolarHBondContact CB-O 3.47Å; V1752-V1856 PolarHBondContact N-O 2.74Å; V1752-V1856 PolarHBondContact O-N 3.49Å; V1752-M1858 HydrophobicContact CG2-CB 3.86Å
1753	Q	80.5	Confident	73.7	Confident	74 Å²	74	52 Å²	52	35%	0.346	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	-40.8	177.7	-170.6	-178.7	13.7	0	0	111.6	I1740 Y1751 S1855	I1740-Q1753 HydrophobicContact CB-CB 4.39Å; I1740-Q1753 HydrophobicContact CG2-CB 4.2Å; I1740-Q1753 PolarHBondContact O-N 3.39Å; Y1751-Q1753 HydrophobicContact CD1-CB 4.15Å; Y1751-Q1753 HydrophobicContact CE1-CB 3.83Å; Y1751-Q1753 HydrophobicContact CE1-CG 4.09Å; Y1751-Q1753 PolarHBondContact O-N 2.88Å; Y1751-Q1753 VanDerWaalsContact O-N 3.11Å; Q1753-S1855 PolarHBondContact O-N 2.89Å
1754	Y	84	Confident	73.6	Confident	61 Å²	61	48.4 Å²	48.4	24%	0.239	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	130.2	179.1	-167.7	-108.1	0	0	0	112.5	T1738 H1739 I1740 V1752 K1756 E1852 R1854	T1738-Y1754 HydrophobicContact CG2-CD1 3.83Å; T1738-Y1754 HydrophobicContact CG2-CE1 4.15Å; H1739-Y1754 CarbonylContact C-O 3.48Å; H1739-Y1754 WeakPolarHBondContact CA-O 2.98Å; I1740-Y1754 PolarHBondContact N-O 3.41Å; I1740-Y1754 PolarHBondContact O-N 3Å; V1752-Y1754 VanDerWaalsContact C-N 3.31Å; V1752-Y1754 PolarHBondContact O-N 2.79Å; Y1754-K1756 HydrophobicContact CE1-CB 3.92Å; Y1754-K1756 WeakPolarHBondContact OH-CD 3.3Å; Y1754-E1852 VanDerWaalsContact CE2-OE1 3.29Å; Y1754-E1852 WeakPolarHBondContact CE2-OE1 3.48Å; Y1754-E1852 PolarHBondContact OH-OE1 3.29Å; Y1754-R1854 HydrophobicContact CD2-CG 3.85Å; Y1754-R1854 HydrophobicContact CE2-CG 3.86Å
1755	C	86.1	Confident	73.8	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.007	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	134.4	169.9	-170.3	0	0	0	0	112.4	T1738 V1752 E1852 R1853 L1863	T1738-C1755 CarbonylContact O-C 3.5Å; T1738-C1755 VanDerWaalsContact O-CA 3.26Å; T1738-C1755 WeakPolarHBondContact O-CA 3.39Å; V1752-C1755 HydrophobicContact CG1-CB 3.85Å; C1755-E1852 CarbonylContact O-C 3.58Å; C1755-E1852 WeakPolarHBondContact O-CA 3.45Å; C1755-R1853 HydrophobicContact CB-CB 4.36Å; C1755-R1853 PolarHBondContact N-O 2.72Å; C1755-R1853 PolarHBondContact O-N 2.86Å; C1755-L1863 HydrophobicContact CB-CD1 4.31Å
1756	K	86.4	Confident	74	Confident	41 Å²	41	41.7 Å²	41.7	18%	0.178	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	138.8	-179.2	-178.9	-169.6	173.9	-166.4	0	111.1	E1736 F1737 T1738 Y1754 F1851 E1852	E1736-K1756 IonicContact OE2-NZ 3Å; E1736-K1756 PolarHBondContact OE2-NZ 2.85Å; F1737-K1756 CarbonylContact C-O 3.53Å; F1737-K1756 VanDerWaalsContact CA-O 3.28Å; F1737-K1756 WeakPolarHBondContact CA-O 3.28Å; F1737-K1756 WeakPolarHBondContact CD2-O 3.45Å; T1738-K1756 PolarHBondContact N-O 3Å; T1738-K1756 PolarHBondContact O-N 2.86Å; Y1754-K1756 HydrophobicContact CE1-CB 3.92Å; Y1754-K1756 WeakPolarHBondContact OH-CD 3.3Å; K1756-F1851 CarbonylContact C-O 3.57Å; K1756-F1851 WeakPolarHBondContact CA-O 3.07Å; K1756-E1852 HydrophobicContact CB-CG 4.39Å
1757	L	85.5	Confident	74.3	Confident	25 Å²	25	36.5 Å²	36.5	13%	0.131	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	115.6	168.4	178	56.7	0	0	0	110.8	I1735 E1736 F1737 F1851 Y1871	I1735-L1757 HydrophobicContact CG2-CD1 4.14Å; E1736-L1757 CarbonylContact O-C 3.51Å; E1736-L1757 WeakPolarHBondContact O-CA 3.34Å; F1737-L1757 HydrophobicContact CB-CD1 4.13Å; F1737-L1757 HydrophobicContact CD2-CB 4.22Å; F1737-L1757 HydrophobicContact CD2-CD1 4.35Å; L1757-F1851 HydrophobicContact CB-CB 4.48Å; L1757-F1851 PolarHBondContact N-O 3.36Å; L1757-F1851 PolarHBondContact O-N 2.89Å; L1757-Y1871 HydrophobicContact CD2-CD2 4.34Å; L1757-Y1871 HydrophobicContact CD2-CE2 3.73Å; L1757-Y1871 HydrophobicContact CG-CE2 3.93Å; L1757-Y1871 PolarHBondContact O-OH 2.87Å
1758	L	83.9	Confident	74.5	Confident	37 Å²	37	37.9 Å²	37.9	19%	0.194	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137.1	176.6	170.6	66	0	0	0	110.4	I1735 E1736	I1735-L1758 VanDerWaalsContact CA-O 3.31Å; I1735-L1758 WeakPolarHBondContact CA-O 3.29Å; E1736-L1758 HydrophobicContact CB-CB 4.37Å; E1736-L1758 PolarHBondContact N-O 3.15Å; E1736-L1758 VanDerWaalsContact N-O 3.07Å; E1736-L1758 PolarHBondContact O-N 3.44Å
1759	V	80.3	Confident	74.6	Confident	6 Å²	6	33 Å²	33	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.1	167.8	-175	0	0	0	0	108.8	N1183 M1762 Y1871	N1183-V1759 VanDerWaalsContact OD1-CG2 3.31Å; N1183-V1759 WeakPolarHBondContact OD1-CG2 3.49Å; V1759-M1762 HydrophobicContact CG1-CE 3.95Å; V1759-Y1871 HydrophobicContact CB-CE1 4.47Å; V1759-Y1871 HydrophobicContact CG2-CE1 4.08Å
1760	Q	75.5	Confident	75	Confident	53 Å²	53	31.3 Å²	31.3	25%	0.248	16%	0.162	C	C	.	.			trans	-91	165.5	172.8	-85.2	-173.2	76.6	0	0	113.7	K1732 P1733 F1734 M1762	K1732-Q1760 VanDerWaalsContact CB-NE2 3.32Å; K1732-Q1760 PolarHBondContact O-NE2 3.45Å; P1733-Q1760 PolarHBondContact O-NE2 3.36Å; F1734-Q1760 HydrophobicContact CD2-CB 3.95Å; F1734-Q1760 PolarHBondContact O-N 2.76Å; Q1760-M1762 WeakPolarHBondContact O-CE 3.47Å
1761	E	73.5	Confident	74.8	Confident	59 Å²	59	31.9 Å²	31.9	28%	0.276	16%	0.162	S	C	.	.			trans	-55	130.5	172.9	-66.9	-174.9	-170.4	0	0	116.3	R1179 P1716 T1717 K1847	R1179-E1761 HydrophobicContact CB-CB 3.6Å; R1179-E1761 HydrophobicContact CB-CG 3.79Å; R1179-E1761 HydrophobicContact CG-CB 3.79Å; R1179-E1761 HydrophobicContact CG-CG 4.49Å; R1179-E1761 WeakPolarHBondContact O-CA 3.35Å; P1716-E1761 CarbonylContact C-O 3.47Å; P1716-E1761 VanDerWaalsContact CA-O 3.25Å; P1716-E1761 WeakPolarHBondContact CA-O 3.36Å; T1717-E1761 WeakPolarHBondContact CG2-OE2 3.45Å; T1717-E1761 PolarHBondContact N-O 2.72Å; T1717-E1761 WeakPolarHBondContact OG1-CB 3.44Å; T1717-E1761 PolarHBondContact OG1-O 2.97Å; T1717-E1761 PolarHBondContact OG1-OE2 2.92Å; E1761-K1847 HydrophobicContact CG-CG 4.33Å; E1761-K1847 WeakPolarHBondContact OE1-CE 3.22Å; E1761-K1847 IonicContact OE1-NZ 2.71Å; E1761-K1847 PolarHBondContact OE1-NZ 2.82Å
1762	M	72.9	Confident	74.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	159.6	165.9	64.1	-141.3	66.4	0	0	117.5	R1179 F1180 K1181 F1714 A1715 F1734 V1759 Q1760	R1179-M1762 CarbonylContact C-O 3.59Å; R1179-M1762 WeakPolarHBondContact CG-O 3.24Å; F1180-M1762 WeakPolarHBondContact CA-O 3.48Å; F1180-M1762 HydrophobicContact CB-CG 3.29Å; F1180-M1762 VanDerWaalsContact CB-O 3.23Å; F1180-M1762 WeakPolarHBondContact CB-O 3.41Å; F1180-M1762 HydrophobicContact CB-SD 4.26Å; F1180-M1762 PolarHBondContact N-O 2.73Å; F1180-M1762 WeakPolarHBondContact O-CE 3.16Å; F1180-M1762 WeakPolarHBondContact O-CG 3.2Å; K1181-M1762 HydrophobicContact CB-SD 3.86Å; K1181-M1762 WeakPolarHBondContact O-CE 3.48Å; F1714-M1762 HydrophobicContact CD1-SD 4.37Å; F1714-M1762 HydrophobicContact CD2-SD 4.47Å; F1714-M1762 HydrophobicContact CE1-CG 4.36Å; F1714-M1762 HydrophobicContact CE1-SD 3.47Å; F1714-M1762 WeakPolarHBondContact CE1-SD 3.36Å; F1714-M1762 HydrophobicContact CE2-CG 4.33Å; F1714-M1762 HydrophobicContact CE2-SD 3.61Å; F1714-M1762 HydrophobicContact CZ-CG 4.17Å; F1714-M1762 HydrophobicContact CZ-SD 3.05Å; F1714-M1762 WeakPolarHBondContact CZ-SD 3.38Å; A1715-M1762 CarbonylContact O-C 3.27Å; A1715-M1762 WeakPolarHBondContact O-CA 3.39Å; A1715-M1762 WeakPolarHBondContact O-CB 3.28Å; F1734-M1762 HydrophobicContact CE1-CE 3.97Å; F1734-M1762 HydrophobicContact CE2-CB 4.09Å; F1734-M1762 HydrophobicContact CE2-CE 3.4Å; F1734-M1762 VanDerWaalsContact CE2-CE 3.4Å; F1734-M1762 HydrophobicContact CE2-SD 4.36Å; F1734-M1762 HydrophobicContact CZ-CB 4.2Å; F1734-M1762 HydrophobicContact CZ-CE 3.04Å; F1734-M1762 HydrophobicContact CZ-SD 3.7Å; V1759-M1762 HydrophobicContact CG1-CE 3.95Å; Q1760-M1762 WeakPolarHBondContact O-CE 3.47Å
1763	A	68.7	Low	73.8	Confident	15 Å²	15	34 Å²	34	12%	0.124	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	149.6	170.3	0	0	0	0	0	110.1	R1179 F1714 A1715	R1179-A1763 VanDerWaalsContact CZ-CB 3.49Å; R1179-A1763 VanDerWaalsContact NH2-CB 3.28Å; F1714-A1763 WeakPolarHBondContact CA-O 3.09Å; A1715-A1763 PolarHBondContact N-O 2.93Å; A1715-A1763 PolarHBondContact O-N 3.06Å
1764	V	67.4	Low	73.2	Confident	8 Å²	8	32.5 Å²	32.5	5%	0.048	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.5	173.7	170.3	0	0	0	0	110.3	F1180 M1713 F1714 V1766 V1844	F1180-V1764 HydrophobicContact CB-CG2 3.85Å; F1180-V1764 HydrophobicContact CD1-CB 3.91Å; F1180-V1764 HydrophobicContact CD1-CG2 3.34Å; F1180-V1764 HydrophobicContact CD2-CB 4.03Å; F1180-V1764 HydrophobicContact CD2-CG2 4.02Å; F1180-V1764 HydrophobicContact CE1-CB 3.98Å; F1180-V1764 HydrophobicContact CE1-CG1 4.27Å; F1180-V1764 HydrophobicContact CE1-CG2 3.87Å; F1180-V1764 HydrophobicContact CE2-CB 4.16Å; F1180-V1764 HydrophobicContact CG-CB 3.98Å; F1180-V1764 HydrophobicContact CG-CG2 3.47Å; F1180-V1764 VanDerWaalsContact CG-CG2 3.47Å; F1180-V1764 HydrophobicContact CZ-CB 4.13Å; F1180-V1764 HydrophobicContact CZ-CG2 4.47Å; M1713-V1764 CarbonylContact O-C 3.57Å; M1713-V1764 VanDerWaalsContact O-CA 3.29Å; M1713-V1764 WeakPolarHBondContact O-CA 3.18Å; F1714-V1764 HydrophobicContact CD2-CG2 3.87Å; F1714-V1764 HydrophobicContact CE2-CG2 4.4Å; V1764-V1766 HydrophobicContact CG1-CG2 3.73Å; V1764-V1844 PolarHBondContact N-O 2.94Å
1765	K	69.5	Low	72	Confident	34 Å²	34	33.9 Å²	33.9	15%	0.148	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	108.6	175.9	-54.2	-154.4	-164.9	-153.1	0	111	F1710 M1713 I1841 D1843 E2073	F1710-K1765 HydrophobicContact CB-CB 3.63Å; F1710-K1765 HydrophobicContact CB-CD 4.43Å; F1710-K1765 HydrophobicContact CD1-CB 3.98Å; F1710-K1765 HydrophobicContact CD1-CD 3.66Å; F1710-K1765 HydrophobicContact CD1-CG 4.47Å; F1710-K1765 HydrophobicContact CD2-CB 3.88Å; F1710-K1765 HydrophobicContact CE1-CD 4.29Å; F1710-K1765 HydrophobicContact CG-CB 3.5Å; F1710-K1765 HydrophobicContact CG-CD 4.1Å; F1710-K1765 HydrophobicContact CG-CG 4.45Å; M1713-K1765 WeakPolarHBondContact CA-O 3.26Å; M1713-K1765 VanDerWaalsContact CB-O 3.27Å; M1713-K1765 WeakPolarHBondContact CB-O 3.35Å; M1713-K1765 WeakPolarHBondContact CG-O 3.33Å; M1713-K1765 PolarHBondContact O-N 2.88Å; M1713-K1765 VanDerWaalsContact SD-O 3.39Å; K1765-I1841 CarbonylContact C-O 3.5Å; K1765-I1841 WeakPolarHBondContact CA-O 3.4Å; K1765-D1843 WeakPolarHBondContact CE-OD1 3.2Å; K1765-D1843 IonicContact NZ-OD1 2.73Å; K1765-D1843 PolarHBondContact NZ-OD1 3.21Å; K1765-E2073 IonicContact NZ-OE1 3.57Å; K1765-E2073 PolarHBondContact NZ-OE1 2.93Å
1766	V	63.8	Low	71.1	Confident	15 Å²	15	35.9 Å²	35.9	9%	0.091	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	95	-172.1	-143.7	0	0	0	0	119.7	M1713 V1764 L1771 E1840 I1841	M1713-V1766 HydrophobicContact CE-CB 4.29Å; M1713-V1766 HydrophobicContact CE-CG1 3.68Å; M1713-V1766 HydrophobicContact CE-CG2 3.73Å; M1713-V1766 HydrophobicContact SD-CB 4.32Å; M1713-V1766 HydrophobicContact SD-CG1 3.85Å; M1713-V1766 HydrophobicContact SD-CG2 4.13Å; V1764-V1766 HydrophobicContact CG1-CG2 3.73Å; V1766-L1771 HydrophobicContact CG1-CD1 3.95Å; V1766-L1771 HydrophobicContact CG1-CD2 3.94Å; V1766-L1771 HydrophobicContact CG1-CG 3.63Å; V1766-E1840 CarbonylContact O-C 3.53Å; V1766-E1840 WeakPolarHBondContact O-CA 3.21Å; V1766-I1841 HydrophobicContact CB-CB 4.4Å; V1766-I1841 HydrophobicContact CB-CD1 4.48Å; V1766-I1841 PolarHBondContact N-O 3.43Å; V1766-I1841 PolarHBondContact O-N 2.88Å
1767	D	64.7	Low	69.9	Low	10 Å²	10	35.3 Å²	35.3	5%	0.053	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	128.6	165	-83.2	33	0	0	0	112.1	N1703 C1708 V1709 F1710 M1713 G1769 F1770 L1771	N1703-D1767 PolarHBondContact ND2-OD2 3.42Å; C1708-D1767 WeakPolarHBondContact CA-OD2 3.34Å; C1708-D1767 VanDerWaalsContact CB-OD2 3.25Å; C1708-D1767 WeakPolarHBondContact CB-OD2 3.35Å; V1709-D1767 PolarHBondContact N-OD2 2.87Å; F1710-D1767 WeakPolarHBondContact CB-OD1 3.39Å; F1710-D1767 WeakPolarHBondContact CD2-OD1 3.49Å; F1710-D1767 PolarHBondContact N-OD1 3.21Å; M1713-D1767 HydrophobicContact SD-CB 4.45Å; D1767-G1769 PolarHBondContact O-N 2.83Å; D1767-F1770 HydrophobicContact CB-CB 3.85Å; D1767-F1770 WeakPolarHBondContact O-CB 3.1Å; D1767-F1770 PolarHBondContact O-N 2.57Å; D1767-F1770 VanDerWaalsContact O-N 3.07Å; D1767-L1771 PolarHBondContact O-N 2.72Å
1768	Q	60.4	Low	68.4	Low	73 Å²	73	39.5 Å²	39.5	34%	0.341	21%	0.212	S	C	.	.	H	α-helix	trans	-56.4	-37.1	165	169.7	-176.1	79.5	0	0	112.1	F1770 L1771 N1772 L1838 T1839	Q1768-F1770 PolarHBondContact O-N 2.91Å; Q1768-L1771 PolarHBondContact O-N 2.88Å; Q1768-N1772 WeakPolarHBondContact O-CB 3.46Å; Q1768-N1772 PolarHBondContact O-N 2.74Å; Q1768-L1838 WeakPolarHBondContact CB-O 3.32Å; Q1768-L1838 WeakPolarHBondContact CG-O 3.44Å; Q1768-L1838 PolarHBondContact NE2-O 2.93Å; Q1768-T1839 WeakPolarHBondContact CB-O 3.34Å; Q1768-T1839 PolarHBondContact N-O 2.88Å; Q1768-T1839 VanDerWaalsContact N-O 3.09Å
1769	G	67.2	Low	66.8	Low	41 Å²	41	41.1 Å²	41.1	42%	0.423	23%	0.231	S	C	.	.	H	α-helix	trans	-57.4	-38.7	175.4	0	0	0	0	0	112.6	L1705 D1767 A1773	L1705-G1769 VanDerWaalsContact CD1-C 3.5Å; L1705-G1769 VanDerWaalsContact CD1-O 3.24Å; L1705-G1769 WeakPolarHBondContact CD1-O 3.28Å; D1767-G1769 PolarHBondContact O-N 2.83Å; G1769-A1773 WeakPolarHBondContact O-CB 3.19Å; G1769-A1773 PolarHBondContact O-N 2.82Å; G1769-A1773 VanDerWaalsContact O-N 3.17Å
1770	F	75.2	Confident	65.2	Low	12 Å²	12	44.3 Å²	44.3	5%	0.053	25%	0.253	C	S	.	.	H	α-helix	trans	-70.4	-47.2	174.7	-173.6	-77.1	0	0	0	111.8	V1615 A1616 I1701 N1703 L1705 M1713 D1767 Q1768 N1772 A1773 L1774	V1615-F1770 HydrophobicContact CG1-CD2 4.38Å; V1615-F1770 HydrophobicContact CG1-CE2 4.31Å; A1616-F1770 HydrophobicContact CB-CE2 3.47Å; A1616-F1770 VanDerWaalsContact CB-CE2 3.47Å; A1616-F1770 HydrophobicContact CB-CZ 3.59Å; I1701-F1770 HydrophobicContact CG2-CZ 4.48Å; N1703-F1770 HydrophobicContact CB-CD2 4.1Å; L1705-F1770 HydrophobicContact CD1-CB 4.4Å; M1713-F1770 HydrophobicContact CE-CB 4.05Å; M1713-F1770 HydrophobicContact CE-CD1 3.17Å; M1713-F1770 HydrophobicContact CE-CD2 3.71Å; M1713-F1770 HydrophobicContact CE-CE1 3.32Å; M1713-F1770 HydrophobicContact CE-CE2 3.82Å; M1713-F1770 HydrophobicContact CE-CG 3.37Å; M1713-F1770 HydrophobicContact CE-CZ 3.64Å; M1713-F1770 HydrophobicContact SD-CB 3.72Å; M1713-F1770 HydrophobicContact SD-CD1 4.02Å; M1713-F1770 HydrophobicContact SD-CD2 3.74Å; M1713-F1770 HydrophobicContact SD-CE2 4.29Å; M1713-F1770 HydrophobicContact SD-CG 3.57Å; M1713-F1770 VanDerWaalsContact SD-CG 3.57Å; D1767-F1770 HydrophobicContact CB-CB 3.85Å; D1767-F1770 WeakPolarHBondContact O-CB 3.1Å; D1767-F1770 PolarHBondContact O-N 2.57Å; D1767-F1770 VanDerWaalsContact O-N 3.07Å; Q1768-F1770 PolarHBondContact O-N 2.91Å; F1770-N1772 VanDerWaalsContact C-N 3.3Å; F1770-N1772 PolarHBondContact O-N 2.8Å; F1770-A1773 PolarHBondContact O-N 2.93Å; F1770-A1773 VanDerWaalsContact O-N 3.17Å; F1770-L1774 HydrophobicContact CD1-CB 4.35Å; F1770-L1774 HydrophobicContact CE1-CB 4.24Å; F1770-L1774 HydrophobicContact CE1-CD1 4.01Å; F1770-L1774 HydrophobicContact CE1-CD2 4.35Å; F1770-L1774 HydrophobicContact CE1-CG 4.43Å; F1770-L1774 HydrophobicContact CZ-CD1 4.37Å; F1770-L1774 WeakPolarHBondContact O-CB 3.41Å; F1770-L1774 PolarHBondContact O-N 2.81Å
1771	L	67	Low	63.4	Low	44 Å²	44	46.8 Å²	46.8	23%	0.23	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-44.7	179.1	-70.3	171.7	0	0	0	111.4	V1766 D1767 Q1768 L1774 M1775	V1766-L1771 HydrophobicContact CG1-CD1 3.95Å; V1766-L1771 HydrophobicContact CG1-CD2 3.94Å; V1766-L1771 HydrophobicContact CG1-CG 3.63Å; D1767-L1771 PolarHBondContact O-N 2.72Å; Q1768-L1771 PolarHBondContact O-N 2.88Å; L1771-L1774 PolarHBondContact O-N 2.9Å; L1771-M1775 WeakPolarHBondContact O-CB 3.48Å; L1771-M1775 VanDerWaalsContact O-CG 3.25Å; L1771-M1775 WeakPolarHBondContact O-CG 3.3Å; L1771-M1775 PolarHBondContact O-N 2.8Å
1772	N	65.9	Low	61.5	Low	97 Å²	97	49.4 Å²	49.4	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-42.2	176.9	-72.5	-17.7	0	0	0	112.1	Q1768 F1770 S1776	Q1768-N1772 WeakPolarHBondContact O-CB 3.46Å; Q1768-N1772 PolarHBondContact O-N 2.74Å; F1770-N1772 VanDerWaalsContact C-N 3.3Å; F1770-N1772 PolarHBondContact O-N 2.8Å; N1772-S1776 WeakPolarHBondContact O-CB 3.33Å; N1772-S1776 PolarHBondContact O-N 3.47Å; N1772-S1776 PolarHBondContact O-OG 3.42Å
1773	A	71.2	Confident	59.6	Low	9 Å²	9	53.2 Å²	53.2	7%	0.074	33%	0.328	C	S	.	.	H	α-helix	trans	-65.7	-41.9	176.8	0	0	0	0	0	112.5	V1615 L1705 G1769 F1770 S1776 M1777	V1615-A1773 HydrophobicContact CG1-CB 3.65Å; V1615-A1773 HydrophobicContact CG2-CB 4.08Å; L1705-A1773 HydrophobicContact CD1-CB 3.77Å; L1705-A1773 HydrophobicContact CD2-CB 4.08Å; L1705-A1773 HydrophobicContact CG-CB 4.5Å; G1769-A1773 WeakPolarHBondContact O-CB 3.19Å; G1769-A1773 PolarHBondContact O-N 2.82Å; G1769-A1773 VanDerWaalsContact O-N 3.17Å; F1770-A1773 PolarHBondContact O-N 2.93Å; F1770-A1773 VanDerWaalsContact O-N 3.17Å; A1773-S1776 PolarHBondContact O-N 2.77Å; A1773-S1776 PolarHBondContact O-OG 2.79Å; A1773-M1777 PolarHBondContact O-N 2.67Å; A1773-M1777 VanDerWaalsContact O-N 3.16Å
1774	L	67.8	Low	57.9	Low	41 Å²	41	64 Å²	64	22%	0.215	37%	0.366	C	S	.	.	H	α-helix	trans	-64.5	-46.7	176	-164	85.3	0	0	0	111.2	L1606 F1770 L1771 S1776 M1777 F1778	L1606-L1774 HydrophobicContact CD1-CD1 4.19Å; F1770-L1774 HydrophobicContact CD1-CB 4.35Å; F1770-L1774 HydrophobicContact CE1-CB 4.24Å; F1770-L1774 HydrophobicContact CE1-CD1 4.01Å; F1770-L1774 HydrophobicContact CE1-CD2 4.35Å; F1770-L1774 HydrophobicContact CE1-CG 4.43Å; F1770-L1774 HydrophobicContact CZ-CD1 4.37Å; F1770-L1774 WeakPolarHBondContact O-CB 3.41Å; F1770-L1774 PolarHBondContact O-N 2.81Å; L1771-L1774 PolarHBondContact O-N 2.9Å; L1774-S1776 VanDerWaalsContact C-N 3.32Å; L1774-S1776 PolarHBondContact O-N 2.73Å; L1774-M1777 HydrophobicContact CD1-CE 4.4Å; L1774-M1777 WeakPolarHBondContact O-CB 3.19Å; L1774-M1777 PolarHBondContact O-N 3.23Å; L1774-M1777 VanDerWaalsContact O-N 3.1Å; L1774-F1778 HydrophobicContact CD1-CE2 4.07Å; L1774-F1778 HydrophobicContact CD2-CE2 4.32Å; L1774-F1778 HydrophobicContact CG-CD2 4.15Å; L1774-F1778 HydrophobicContact CG-CE2 3.86Å; L1774-F1778 WeakPolarHBondContact O-CD2 3.2Å; L1774-F1778 PolarHBondContact O-N 2.62Å
1775	M	59.6	Low	55.9	Low	91 Å²	91	70 Å²	70	45%	0.448	40%	0.403	S	S	.	.	H	α-helix	trans	-58.6	-43.3	174.9	-76.2	-64.5	-69.8	0	0	111.5	L1771 M1777 F1778 A1779 L1831	L1771-M1775 WeakPolarHBondContact O-CB 3.48Å; L1771-M1775 VanDerWaalsContact O-CG 3.25Å; L1771-M1775 WeakPolarHBondContact O-CG 3.3Å; L1771-M1775 PolarHBondContact O-N 2.8Å; M1775-M1777 PolarHBondContact O-N 3.44Å; M1775-F1778 PolarHBondContact O-N 3.46Å; M1775-A1779 WeakPolarHBondContact O-CB 3.37Å; M1775-A1779 PolarHBondContact O-N 2.83Å; M1775-L1831 HydrophobicContact CE-CD1 4.41Å; M1775-L1831 HydrophobicContact CG-CD1 4.45Å; M1775-L1831 HydrophobicContact SD-CD1 3.75Å
1776	S	66.6	Low	53.9	Low	42 Å²	42	80.2 Å²	80.2	29%	0.294	44%	0.44	S	S	.	.	H	α-helix	trans	-64.9	-25.4	177.4	75.1	0	0	0	0	113.9	N1608 N1772 A1773 L1774	N1608-S1776 PolarHBondContact ND2-OG 3.34Å; N1772-S1776 WeakPolarHBondContact O-CB 3.33Å; N1772-S1776 PolarHBondContact O-N 3.47Å; N1772-S1776 PolarHBondContact O-OG 3.42Å; A1773-S1776 PolarHBondContact O-N 2.77Å; A1773-S1776 PolarHBondContact O-OG 2.79Å; L1774-S1776 VanDerWaalsContact C-N 3.32Å; L1774-S1776 PolarHBondContact O-N 2.73Å
1777	M	62	Low	52.1	Low	29 Å²	29	84.1 Å²	84.1	14%	0.143	47%	0.469	C	S	.	.	H	α-helix	trans	-76	-37.4	177.8	-167.4	-175.5	75.8	0	0	111.7	L1606 N1608 A1773 L1774 M1775 S1780	L1606-M1777 HydrophobicContact CB-SD 4.28Å; L1606-M1777 HydrophobicContact CD1-CE 4.27Å; L1606-M1777 HydrophobicContact CD2-CE 4.5Å; N1608-M1777 HydrophobicContact CB-CB 4.34Å; N1608-M1777 HydrophobicContact CB-CG 4.16Å; N1608-M1777 PolarHBondContact ND2-N 3.36Å; A1773-M1777 PolarHBondContact O-N 2.67Å; A1773-M1777 VanDerWaalsContact O-N 3.16Å; L1774-M1777 HydrophobicContact CD1-CE 4.4Å; L1774-M1777 WeakPolarHBondContact O-CB 3.19Å; L1774-M1777 PolarHBondContact O-N 3.23Å; L1774-M1777 VanDerWaalsContact O-N 3.1Å; M1775-M1777 PolarHBondContact O-N 3.44Å; M1777-S1780 PolarHBondContact O-OG 3.11Å
1778	F	53.7	Low	50.4	Low	113 Å²	113	88.9 Å²	88.9	50%	0.496	50%	0.498	S	S	.	.	H	α-helix	trans	-86.7	-27.3	178.3	-68.7	-65.4	0	0	0	113.5	L1774 M1775 S1780 T1781	L1774-F1778 HydrophobicContact CD1-CE2 4.07Å; L1774-F1778 HydrophobicContact CD2-CE2 4.32Å; L1774-F1778 HydrophobicContact CG-CD2 4.15Å; L1774-F1778 HydrophobicContact CG-CE2 3.86Å; L1774-F1778 WeakPolarHBondContact O-CD2 3.2Å; L1774-F1778 PolarHBondContact O-N 2.62Å; M1775-F1778 PolarHBondContact O-N 3.46Å; F1778-S1780 PolarHBondContact O-N 3.02Å; F1778-T1781 PolarHBondContact O-N 2.92Å; F1778-T1781 PolarHBondContact O-OG1 2.88Å
1779	A	50.1	Low	49	Very low	71 Å²	71	95.5 Å²	95.5	59%	0.587	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-20	-178.8	0	0	0	0	0	114.5	M1775	M1775-A1779 WeakPolarHBondContact O-CB 3.37Å; M1775-A1779 PolarHBondContact O-N 2.83Å
1780	S	46	Very low	47.1	Very low	73 Å²	73	103.5 Å²	103.5	51%	0.51	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.1	179.2	46.8	0	0	0	0	115	M1777 F1778 S1782	M1777-S1780 PolarHBondContact O-OG 3.11Å; F1778-S1780 PolarHBondContact O-N 3.02Å; S1780-S1782 VanDerWaalsContact C-N 3.33Å; S1780-S1782 PolarHBondContact O-N 2.77Å
1781	T	39.1	Very low	44.9	Very low	106 Å²	106	110.5 Å²	110.5	65%	0.65	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-15.4	-166.1	-50	0	0	0	0	113.7	F1778 A1783	F1778-T1781 PolarHBondContact O-N 2.92Å; F1778-T1781 PolarHBondContact O-OG1 2.88Å; T1781-A1783 VanDerWaalsContact C-N 3.28Å; T1781-A1783 PolarHBondContact O-N 2.82Å
1782	S	32.1	Very low	43	Very low	114 Å²	114	119.4 Å²	119.4	80%	0.797	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	9.1	-173.5	51.7	0	0	0	0	116.1	S1780	S1780-S1782 VanDerWaalsContact C-N 3.33Å; S1780-S1782 PolarHBondContact O-N 2.77Å
1783	A	33.5	Very low	41.3	Very low	79 Å²	79	121.9 Å²	121.9	65%	0.653	63%	0.626	S	S	*	*	S	Bend	trans	-132.7	-18.1	-160.2	0	0	0	0	0	119.2	T1781	T1781-A1783 VanDerWaalsContact C-N 3.28Å; T1781-A1783 PolarHBondContact O-N 2.82Å
1784	R	32.1	Very low	39.1	Very low	241 Å²	241	126.2 Å²	126.2	91%	0.909	66%	0.656	S	S	*	*			trans	-146.5	115.8	-176.2	-76.6	-167.1	169.4	158.7	-1.6	116.3
1785	T	27.2	Very low	37.2	Very low	134 Å²	134	130.2 Å²	130.2	82%	0.822	68%	0.682	S	S	*	*			trans	-67.7	128.5	168.4	-44	0	0	0	0	112.1
1786	R	27.2	Very low	35.7	Very low	249 Å²	249	132.2 Å²	132.2	94%	0.94	69%	0.694	S	S	*	*			trans	-141.9	93.7	158.8	-93.4	-171.9	171.4	171.4	-3.8	110.7
1787	S	26.1	Very low	33.8	Very low	98 Å²	98	137.9 Å²	137.9	69%	0.685	72%	0.716	S	S	*	*			trans	-68.3	173.2	157.5	45.4	0	0	0	0	111.1
1788	V	28.5	Very low	32.1	Very low	109 Å²	109	139.5 Å²	139.5	66%	0.661	73%	0.728	S	S	*	*			trans	128.8	-39.3	161.5	172.3	0	0	0	0	114.9
1789	Y	30.5	Very low	30.9	Very low	213 Å²	213	135.7 Å²	135.7	84%	0.835	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	13.5	-158.7	-72.9	-73.9	0	0	0	119.3
1790	F	28.7	Very low	29.8	Very low	209 Å²	209	136.9 Å²	136.9	92%	0.917	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.7	28.6	178.3	-102.5	-78.1	0	0	0	114.1
1791	N	28	Very low	28.9	Very low	158 Å²	158	136.2 Å²	136.2	85%	0.845	70%	0.704	S	S	*	*			trans	-117.8	60	-176.8	-137.2	24.8	0	0	0	112.1
1792	R	27	Very low	28.3	Very low	231 Å²	231	133.1 Å²	133.1	87%	0.872	68%	0.682	S	S	*	*	S	Bend	trans	-165.5	163.7	162.3	-105.9	159.1	-169.8	-176.9	1.1	109.2
1793	D	29.4	Very low	27.9	Very low	149 Å²	149	133.9 Å²	133.9	80%	0.797	68%	0.677	S	S	*	*			trans	66.4	66.5	175.8	-52.7	-13.2	0	0	0	115.7	V1795	D1793-V1795 PolarHBondContact O-N 3.28Å
1794	S	25.3	Very low	27.5	Very low	100 Å²	100	132.9 Å²	132.9	70%	0.699	66%	0.663	S	S	*	*			trans	-58.7	111.1	166.5	48.1	0	0	0	0	113.4
1795	V	29.3	Very low	27.1	Very low	125 Å²	125	124.4 Å²	124.4	76%	0.758	64%	0.641	S	S	*	*			trans	-137.3	-26.9	170.1	-172.1	0	0	0	0	113.7	D1793	D1793-V1795 PolarHBondContact O-N 3.28Å
1796	L	27.5	Very low	26.9	Very low	134 Å²	134	126.2 Å²	126.2	70%	0.702	64%	0.637	S	S	*	*			trans	-113.8	42.2	-168.5	-69.2	170.8	0	0	0	114.5	P1798 F1799	L1796-P1798 VanDerWaalsContact C-CD 3.45Å; L1796-F1799 HydrophobicContact CD2-CD2 4.19Å; L1796-F1799 HydrophobicContact CD2-CE2 3.91Å
1797	Q	27.5	Very low	26.9	Very low	161 Å²	161	119.4 Å²	119.4	75%	0.752	62%	0.623	S	S	*	*			trans	-72.6	-27.2	177.5	-75.6	-177.5	-50	0	0	117.2	F1799	Q1797-F1799 PolarHBondContact O-N 2.84Å
1798	P	25	Very low	26.8	Very low	63 Å²	63	124 Å²	124	41%	0.409	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81	29.9	-174.4	35	-37.4	0	0	0	114.6	I1595 L1796 F1801	I1595-P1798 HydrophobicContact CD1-CB 4.08Å; L1796-P1798 VanDerWaalsContact C-CD 3.45Å; P1798-F1801 VanDerWaalsContact O-CE1 3.26Å; P1798-F1801 WeakPolarHBondContact O-CE1 3.34Å
1799	F	28.9	Very low	26.7	Very low	33 Å²	33	130.1 Å²	130.1	15%	0.145	65%	0.645	C	S	.	*	T	Hydrogen-bonded Turn	trans	-127	12.5	179.2	-62.6	-58.5	0	0	0	113.9	D1188 I1595 V1597 L1796 Q1797 F1801 M1802	D1188-F1799 HydrophobicContact CB-CB 4.2Å; D1188-F1799 HydrophobicContact CB-CD1 3.54Å; D1188-F1799 HydrophobicContact CB-CE1 4.24Å; D1188-F1799 HydrophobicContact CB-CG 4.12Å; D1188-F1799 WeakPolarHBondContact OD2-CD1 3.4Å; I1595-F1799 HydrophobicContact CG2-CE1 4.43Å; I1595-F1799 HydrophobicContact CG2-CZ 4.37Å; V1597-F1799 HydrophobicContact CG2-CE1 4.03Å; V1597-F1799 HydrophobicContact CG2-CZ 3.8Å; L1796-F1799 HydrophobicContact CD2-CD2 4.19Å; L1796-F1799 HydrophobicContact CD2-CE2 3.91Å; Q1797-F1799 PolarHBondContact O-N 2.84Å; F1799-F1801 PolarHBondContact O-N 2.8Å; F1799-M1802 PolarHBondContact O-N 3.03Å; F1799-M1802 VanDerWaalsContact O-N 3.12Å
1800	S	26.9	Very low	26.5	Very low	95 Å²	95	123.6 Å²	123.6	66%	0.664	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-20	-179.2	51.7	0	0	0	0	115	M1802	S1800-M1802 VanDerWaalsContact C-N 3.29Å; S1800-M1802 PolarHBondContact O-N 2.76Å
1801	F	28	Very low	26.3	Very low	60 Å²	60	118.6 Å²	118.6	26%	0.263	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.8	4.3	-178.9	41	-61.5	0	0	0	113.3	T1189 G1190 V1191 Y1683 P1798 F1799	T1189-F1801 VanDerWaalsContact CB-CE2 3.45Å; T1189-F1801 HydrophobicContact CG2-CB 4.14Å; T1189-F1801 HydrophobicContact CG2-CD1 3.91Å; T1189-F1801 HydrophobicContact CG2-CD2 3.24Å; T1189-F1801 HydrophobicContact CG2-CE1 4.02Å; T1189-F1801 HydrophobicContact CG2-CE2 3.34Å; T1189-F1801 HydrophobicContact CG2-CG 3.46Å; T1189-F1801 VanDerWaalsContact CG2-CG 3.46Å; T1189-F1801 HydrophobicContact CG2-CZ 3.74Å; G1190-F1801 WeakPolarHBondContact CA-O 3.46Å; V1191-F1801 HydrophobicContact CG2-CB 4.13Å; Y1683-F1801 AromaticContact CD2-CE2 3.48Å; Y1683-F1801 HydrophobicContact CD2-CE2 3.48Å; Y1683-F1801 VanDerWaalsContact CD2-CE2 3.48Å; Y1683-F1801 AromaticContact CD2-CZ 3.85Å; Y1683-F1801 HydrophobicContact CD2-CZ 3.85Å; Y1683-F1801 HydrophobicContact CE1-CZ 4.47Å; Y1683-F1801 HydrophobicContact CE2-CD2 4.27Å; Y1683-F1801 AromaticContact CE2-CE2 3.19Å; Y1683-F1801 HydrophobicContact CE2-CE2 3.19Å; Y1683-F1801 AromaticContact CE2-CZ 3.52Å; Y1683-F1801 HydrophobicContact CE2-CZ 3.52Å; Y1683-F1801 HydrophobicContact CG-CE2 4.44Å; Y1683-F1801 HydrophobicContact CG-CZ 4.44Å; Y1683-F1801 AromaticContact CZ-CE2 3.98Å; Y1683-F1801 AromaticContact CZ-CZ 3.86Å; P1798-F1801 VanDerWaalsContact O-CE1 3.26Å; P1798-F1801 WeakPolarHBondContact O-CE1 3.34Å; F1799-F1801 PolarHBondContact O-N 2.8Å
1802	M	25.5	Very low	26.1	Very low	41 Å²	41	117.7 Å²	117.7	20%	0.202	63%	0.634	C	S	.	*			trans	-120.2	88.7	153.4	-118.3	-171.3	-152.1	0	0	109.9	N1186 D1188 T1189 F1799 S1800 V1804	N1186-M1802 HydrophobicContact CB-SD 3.77Å; N1186-M1802 WeakPolarHBondContact OD1-CE 3.46Å; N1186-M1802 PolarHBondContact OD1-SD 3.4Å; D1188-M1802 VanDerWaalsContact CA-SD 3.55Å; D1188-M1802 HydrophobicContact CB-CB 4.3Å; D1188-M1802 WeakPolarHBondContact O-CE 3.36Å; T1189-M1802 HydrophobicContact CG2-CB 4.34Å; T1189-M1802 PolarHBondContact N-SD 3.29Å; F1799-M1802 PolarHBondContact O-N 3.03Å; F1799-M1802 VanDerWaalsContact O-N 3.12Å; S1800-M1802 VanDerWaalsContact C-N 3.29Å; S1800-M1802 PolarHBondContact O-N 2.76Å; M1802-V1804 HydrophobicContact CB-CG2 3.91Å; M1802-V1804 HydrophobicContact CG-CG2 3.7Å; M1802-V1804 PolarHBondContact O-N 3.25Å; M1802-V1804 HydrophobicContact SD-CG2 3.7Å
1803	D	24.3	Very low	26	Very low	129 Å²	129	112.5 Å²	112.5	69%	0.69	63%	0.634	S	S	*	*			trans	-78.3	69.3	168.7	-147.4	-23.4	0	0	0	110.2	S1805	D1803-S1805 PolarHBondContact O-N 3.26Å; D1803-S1805 WeakPolarHBondContact OD1-CB 3.5Å; D1803-S1805 PolarHBondContact OD1-OG 3.12Å
1804	V	24.8	Very low	25.7	Very low	59 Å²	59	114.4 Å²	114.4	36%	0.358	64%	0.637	S	S	.	*			trans	-78.7	49.9	172.8	-168.8	0	0	0	0	109.1	N1186 M1802 F1806	N1186-V1804 HydrophobicContact CB-CG2 4.3Å; N1186-V1804 WeakPolarHBondContact ND2-CG1 3.16Å; M1802-V1804 HydrophobicContact CB-CG2 3.91Å; M1802-V1804 HydrophobicContact CG-CG2 3.7Å; M1802-V1804 PolarHBondContact O-N 3.25Å; M1802-V1804 HydrophobicContact SD-CG2 3.7Å; V1804-F1806 HydrophobicContact CG1-CD2 4.45Å; V1804-F1806 HydrophobicContact CG1-CE2 3.9Å; V1804-F1806 PolarHBondContact O-N 2.81Å
1805	S	24.3	Very low	25.6	Very low	63 Å²	63	118.5 Å²	118.5	44%	0.441	65%	0.646	S	S	.	*			trans	-90.7	103.7	180	50.7	0	0	0	0	110.4	D1803 V1807	D1803-S1805 PolarHBondContact O-N 3.26Å; D1803-S1805 WeakPolarHBondContact OD1-CB 3.5Å; D1803-S1805 PolarHBondContact OD1-OG 3.12Å; S1805-V1807 PolarHBondContact O-N 3.47Å
1806	F	22.7	Very low	25.3	Very low	171 Å²	171	117.7 Å²	117.7	75%	0.75	65%	0.646	S	S	*	*			trans	-72.6	39.3	168.2	-70.8	-88.5	0	0	0	112	V1804	V1804-F1806 HydrophobicContact CG1-CD2 4.45Å; V1804-F1806 HydrophobicContact CG1-CE2 3.9Å; V1804-F1806 PolarHBondContact O-N 2.81Å
1807	V	26.8	Very low	25.1	Very low	106 Å²	106	117.5 Å²	117.5	64%	0.642	64%	0.641	S	S	*	*			trans	-132.2	103.3	-170.2	-177.3	0	0	0	0	109.9	S1805 R1809	S1805-V1807 PolarHBondContact O-N 3.47Å; V1807-R1809 PolarHBondContact O-N 2.74Å
1808	Q	24.8	Very low	25	Very low	196 Å²	196	112.6 Å²	112.6	92%	0.916	63%	0.628	S	S	*	*			trans	-69.8	87.6	178.4	-173.2	178.1	0.2	0	0	111.3
1809	R	26.4	Very low	24.9	Very low	236 Å²	236	112.6 Å²	112.6	89%	0.891	63%	0.628	S	S	*	*			trans	-74.8	139.4	161	-78.4	-179	171.8	159.6	-2.8	109.2	V1807	V1807-R1809 PolarHBondContact O-N 2.74Å
1810	G	25.4	Very low	24.6	Very low	77 Å²	77	117.7 Å²	117.7	79%	0.794	65%	0.65	S	S	*	*			trans	-144	113.9	177	0	0	0	0	0	112.3
1811	S	24.2	Very low	24.5	Very low	103 Å²	103	121 Å²	121	72%	0.72	66%	0.657	S	S	*	*			trans	-167.4	100.3	163.7	54.8	0	0	0	0	111.5
1812	T	23.2	Very low	24.4	Very low	139 Å²	139	124.7 Å²	124.7	85%	0.853	68%	0.679	S	S	*	*			trans	41.6	92.5	141.1	56.6	0	0	0	0	119.5
1813	S	25.3	Very low	24.7	Very low	123 Å²	123	128.4 Å²	128.4	86%	0.86	70%	0.696	S	S	*	*			trans	-164	168	140.9	-3.2	0	0	0	0	109.2
1814	E	23.6	Very low	25	Very low	188 Å²	188	127.7 Å²	127.7	88%	0.879	70%	0.696	S	S	*	*			trans	-97.9	163.3	-175.9	-64.7	172.9	126.3	0	0	112.5
1815	E	22.8	Very low	25.2	Very low	186 Å²	186	130.2 Å²	130.2	87%	0.869	70%	0.704	S	S	*	*			trans	75.2	132.2	171	-52.4	-162.9	146.1	0	0	120.4
1816	S	22.5	Very low	25.5	Very low	109 Å²	109	131.7 Å²	131.7	76%	0.762	71%	0.707	S	S	*	*			trans	78.9	153.2	152.6	-72.3	0	0	0	0	122
1817	Q	24.8	Very low	26.2	Very low	130 Å²	130	128.2 Å²	128.2	61%	0.607	70%	0.695	S	S	*	*			trans	73.2	78.1	162.8	-72.4	171.3	7	0	0	121.5
1818	A	24.5	Very low	26.4	Very low	57 Å²	57	124.3 Å²	124.3	47%	0.471	67%	0.672	S	S	.	*				72.1	159.5	120.5	0	0	0	0	0	122	E1192	E1192-A1818 HydrophobicContact CG-CB 3.74Å
1819	P	24	Very low	26.7	Very low	64 Å²	64	120.4 Å²	120.4	42%	0.416	66%	0.657	S	S	.	*			trans	-120.4	136.8	-157.8	38.6	-25	0	0	0	117	I1864	P1819-I1864 HydrophobicContact CG-CG2 3.88Å; P1819-I1864 VanDerWaalsContact O-CG2 3.31Å; P1819-I1864 WeakPolarHBondContact O-CG2 3.37Å
1820	F	22.1	Very low	27	Very low	139 Å²	139	112.8 Å²	112.8	61%	0.61	63%	0.634	S	S	*	*			trans	-143.9	41.2	145.7	-156.9	-100.3	0	0	0	112.5	L1822	F1820-L1822 PolarHBondContact O-N 3.23Å
1821	M	23.8	Very low	27.6	Very low	164 Å²	164	111.3 Å²	111.3	81%	0.808	61%	0.608	S	S	*	*			trans	-88.6	99.7	172	-74.2	-154.5	177.9	0	0	111.5	H1823	M1821-H1823 PolarHBondContact O-N 2.86Å
1822	L	26.9	Very low	28	Very low	139 Å²	139	113.8 Å²	113.8	73%	0.728	61%	0.605	S	S	*	*			trans	-67.8	88.1	162	-145.5	176.9	0	0	0	107.4	F1820 T1824	F1820-L1822 PolarHBondContact O-N 3.23Å; L1822-T1824 PolarHBondContact O-N 2.84Å
1823	H	31.3	Very low	28.4	Very low	119 Å²	119	109.3 Å²	109.3	55%	0.551	59%	0.587	S	S	*	*			trans	-38.8	116.5	-162.5	-105.5	-90.9	0	0	0	113.4	M1821 E1825 L1826 L1827	M1821-H1823 PolarHBondContact O-N 2.86Å; H1823-E1825 HydrophobicContact CB-CB 4.16Å; H1823-E1825 PolarHBondContact O-N 3.42Å; H1823-L1826 HydrophobicContact CB-CB 4.24Å; H1823-L1826 PolarHBondContact O-N 3.18Å; H1823-L1827 PolarHBondContact O-N 2.96Å
1824	T	31.2	Very low	29	Very low	113 Å²	113	106 Å²	106	69%	0.693	56%	0.562	S	S	*	*	H	α-helix	trans	-56.2	-31.2	169.1	43.9	0	0	0	0	111	L1822 S1828	L1822-T1824 PolarHBondContact O-N 2.84Å; T1824-S1828 WeakPolarHBondContact O-CB 3.13Å; T1824-S1828 PolarHBondContact O-N 3.14Å; T1824-S1828 PolarHBondContact O-OG 2.81Å
1825	E	28.4	Very low	29.3	Very low	113 Å²	113	99.5 Å²	99.5	53%	0.528	54%	0.544	S	S	.	.	H	α-helix	trans	-47.4	-61.3	164	-78.4	-64.1	107.4	0	0	112.1	H1823 L1827 S1828 L1829	H1823-E1825 HydrophobicContact CB-CB 4.16Å; H1823-E1825 PolarHBondContact O-N 3.42Å; E1825-L1827 PolarHBondContact O-N 2.82Å; E1825-S1828 CarbonylContact O-C 3.49Å; E1825-S1828 WeakPolarHBondContact O-CA 3.42Å; E1825-S1828 PolarHBondContact O-N 2.8Å; E1825-S1828 VanDerWaalsContact O-N 3.1Å; E1825-S1828 PolarHBondContact O-OG 3.1Å; E1825-L1829 WeakPolarHBondContact O-CB 3.41Å; E1825-L1829 PolarHBondContact O-N 3.27Å
1826	L	31.7	Very low	29.7	Very low	94 Å²	94	97.1 Å²	97.1	49%	0.492	54%	0.543	S	S	.	.	H	α-helix	trans	-61.6	-43.6	-175.8	-168.1	87.6	0	0	0	112.4	H1823 S1828 L1829 L1830	H1823-L1826 HydrophobicContact CB-CB 4.24Å; H1823-L1826 PolarHBondContact O-N 3.18Å; L1826-S1828 VanDerWaalsContact C-N 3.3Å; L1826-S1828 PolarHBondContact O-N 3.36Å; L1826-L1829 WeakPolarHBondContact O-CB 3.22Å; L1826-L1829 PolarHBondContact O-N 2.76Å; L1826-L1830 PolarHBondContact O-N 2.96Å
1827	L	36.2	Very low	30.4	Very low	98 Å²	98	93.5 Å²	93.5	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-64.2	-40.2	176.6	-154.9	83.5	0	0	0	110.5	H1823 E1825 L1829 L1831	H1823-L1827 PolarHBondContact O-N 2.96Å; E1825-L1827 PolarHBondContact O-N 2.82Å; L1827-L1829 VanDerWaalsContact C-N 3.35Å; L1827-L1831 HydrophobicContact CD2-CD1 4.26Å; L1827-L1831 HydrophobicContact CG-CD1 4.14Å; L1827-L1831 WeakPolarHBondContact O-CB 3.5Å; L1827-L1831 WeakPolarHBondContact O-CD1 3.36Å; L1827-L1831 VanDerWaalsContact O-CG 3.24Å; L1827-L1831 WeakPolarHBondContact O-CG 3.48Å; L1827-L1831 PolarHBondContact O-N 3.36Å
1828	S	32.2	Very low	30.8	Very low	23 Å²	23	89.4 Å²	89.4	16%	0.161	50%	0.498	C	S	.	.	H	α-helix	trans	-72.7	-24.7	174.8	90.6	0	0	0	0	113.1	T1824 E1825 L1826 L1831 K1832	T1824-S1828 WeakPolarHBondContact O-CB 3.13Å; T1824-S1828 PolarHBondContact O-N 3.14Å; T1824-S1828 PolarHBondContact O-OG 2.81Å; E1825-S1828 CarbonylContact O-C 3.49Å; E1825-S1828 WeakPolarHBondContact O-CA 3.42Å; E1825-S1828 PolarHBondContact O-N 2.8Å; E1825-S1828 VanDerWaalsContact O-N 3.1Å; E1825-S1828 PolarHBondContact O-OG 3.1Å; L1826-S1828 VanDerWaalsContact C-N 3.3Å; L1826-S1828 PolarHBondContact O-N 3.36Å; S1828-L1831 PolarHBondContact O-N 2.96Å; S1828-K1832 WeakPolarHBondContact O-CA 3.38Å; S1828-K1832 WeakPolarHBondContact O-CB 3.34Å; S1828-K1832 VanDerWaalsContact O-CD 3.29Å; S1828-K1832 WeakPolarHBondContact O-CD 3.41Å; S1828-K1832 WeakPolarHBondContact O-CG 3.37Å; S1828-K1832 PolarHBondContact O-N 2.9Å; S1828-K1832 PolarHBondContact OG-NZ 2.84Å
1829	L	30.6	Very low	31.9	Very low	114 Å²	114	88.9 Å²	88.9	60%	0.597	49%	0.489	S	S	*	.	H	α-helix	trans	-71.5	-44.8	176.2	-160.2	77.7	0	0	0	109.8	E1825 L1826 L1827 G1833	E1825-L1829 WeakPolarHBondContact O-CB 3.41Å; E1825-L1829 PolarHBondContact O-N 3.27Å; L1826-L1829 WeakPolarHBondContact O-CB 3.22Å; L1826-L1829 PolarHBondContact O-N 2.76Å; L1827-L1829 VanDerWaalsContact C-N 3.35Å; L1829-G1833 WeakPolarHBondContact O-CA 3.33Å; L1829-G1833 PolarHBondContact O-N 2.86Å
1830	L	33.3	Very low	32.9	Very low	77 Å²	77	89.2 Å²	89.2	40%	0.403	49%	0.485	S	S	.	.	H	α-helix	trans	-62.1	-41.3	170.6	-73	165	0	0	0	111.8	L1826 V1834	L1826-L1830 PolarHBondContact O-N 2.96Å; L1830-V1834 WeakPolarHBondContact O-CB 3.37Å; L1830-V1834 VanDerWaalsContact O-CG2 3.31Å; L1830-V1834 WeakPolarHBondContact O-CG2 3.14Å; L1830-V1834 PolarHBondContact O-N 3.12Å
1831	L	36.4	Very low	34	Very low	46 Å²	46	84.5 Å²	84.5	24%	0.241	47%	0.465	C	S	.	.	H	α-helix	trans	-81.2	-26.7	-178.5	-70.3	167.6	0	0	0	114.7	M1775 L1827 S1828 G1835	M1775-L1831 HydrophobicContact CE-CD1 4.41Å; M1775-L1831 HydrophobicContact CG-CD1 4.45Å; M1775-L1831 HydrophobicContact SD-CD1 3.75Å; L1827-L1831 HydrophobicContact CD2-CD1 4.26Å; L1827-L1831 HydrophobicContact CG-CD1 4.14Å; L1827-L1831 WeakPolarHBondContact O-CB 3.5Å; L1827-L1831 WeakPolarHBondContact O-CD1 3.36Å; L1827-L1831 VanDerWaalsContact O-CG 3.24Å; L1827-L1831 WeakPolarHBondContact O-CG 3.48Å; L1827-L1831 PolarHBondContact O-N 3.36Å; S1828-L1831 PolarHBondContact O-N 2.96Å; L1831-G1835 WeakPolarHBondContact O-CA 3.26Å; L1831-G1835 PolarHBondContact O-N 2.71Å
1832	K	33.1	Very low	35.2	Very low	154 Å²	154	79.9 Å²	79.9	67%	0.67	44%	0.442	S	S	*	.	H	α-helix	trans	-87.8	-39.8	175.8	-66.6	161.8	-176.3	159	0	111.4	S1828 V1834	S1828-K1832 WeakPolarHBondContact O-CA 3.38Å; S1828-K1832 WeakPolarHBondContact O-CB 3.34Å; S1828-K1832 VanDerWaalsContact O-CD 3.29Å; S1828-K1832 WeakPolarHBondContact O-CD 3.41Å; S1828-K1832 WeakPolarHBondContact O-CG 3.37Å; S1828-K1832 PolarHBondContact O-N 2.9Å; S1828-K1832 PolarHBondContact OG-NZ 2.84Å; K1832-V1834 VanDerWaalsContact C-N 3.34Å; K1832-V1834 PolarHBondContact O-N 2.88Å
1833	G	32.2	Very low	36.4	Very low	45 Å²	45	78 Å²	78	46%	0.464	43%	0.433	S	S	.	.	H	α-helix	trans	-68.1	-30.9	179.5	0	0	0	0	0	113.8	R577 L1829	R577-G1833 PolarHBondContact NH1-O 3.04Å; L1829-G1833 WeakPolarHBondContact O-CA 3.33Å; L1829-G1833 PolarHBondContact O-N 2.86Å
1834	V	38.1	Very low	37.4	Very low	55 Å²	55	73.5 Å²	73.5	33%	0.333	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	17.5	-178	-158.9	0	0	0	0	111.4	L1830 K1832 V1836 T1837 L1838	L1830-V1834 WeakPolarHBondContact O-CB 3.37Å; L1830-V1834 VanDerWaalsContact O-CG2 3.31Å; L1830-V1834 WeakPolarHBondContact O-CG2 3.14Å; L1830-V1834 PolarHBondContact O-N 3.12Å; K1832-V1834 VanDerWaalsContact C-N 3.34Å; K1832-V1834 PolarHBondContact O-N 2.88Å; V1834-V1836 PolarHBondContact O-N 2.82Å; V1834-T1837 PolarHBondContact O-N 3.45Å; V1834-L1838 HydrophobicContact CB-CD1 3.93Å; V1834-L1838 HydrophobicContact CB-CG 4.37Å; V1834-L1838 HydrophobicContact CG1-CD1 3.99Å; V1834-L1838 HydrophobicContact CG1-CG 3.89Å
1835	G	28.7	Very low	38.6	Very low	50 Å²	50	69.9 Å²	69.9	52%	0.515	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	18.7	-151.7	0	0	0	0	0	120.4	L1831	L1831-G1835 WeakPolarHBondContact O-CA 3.26Å; L1831-G1835 PolarHBondContact O-N 2.71Å
1836	V	32.4	Very low	40.1	Very low	137 Å²	137	64.7 Å²	64.7	83%	0.83	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	-12.9	173	179.7	0	0	0	0	111.9	V1834	V1834-V1836 PolarHBondContact O-N 2.82Å
1837	T	35.7	Very low	41.8	Very low	32 Å²	32	63 Å²	63	20%	0.196	36%	0.355	C	S	.	.			trans	-139.6	8.7	-153.7	65.2	0	0	0	0	115	K579 V1834 T1839	K579-T1837 HydrophobicContact CB-CG2 4.28Å; K579-T1837 HydrophobicContact CD-CG2 4.39Å; K579-T1837 VanDerWaalsContact CD-O 3.24Å; K579-T1837 WeakPolarHBondContact CD-O 3.25Å; K579-T1837 WeakPolarHBondContact CD-OG1 3.29Å; K579-T1837 WeakPolarHBondContact CE-O 3.18Å; K579-T1837 PolarHBondContact NZ-O 2.96Å; K579-T1837 PolarHBondContact NZ-OG1 3.28Å; V1834-T1837 PolarHBondContact O-N 3.45Å; T1837-T1839 PolarHBondContact O-N 2.8Å
1838	L	35	Very low	43.3	Very low	45 Å²	45	59.4 Å²	59.4	24%	0.236	34%	0.337	C	S	.	.			trans	-81	103.4	169.5	-85.2	161.7	0	0	0	109.8	Q1768 V1834	Q1768-L1838 WeakPolarHBondContact CB-O 3.32Å; Q1768-L1838 WeakPolarHBondContact CG-O 3.44Å; Q1768-L1838 PolarHBondContact NE2-O 2.93Å; V1834-L1838 HydrophobicContact CB-CD1 3.93Å; V1834-L1838 HydrophobicContact CB-CG 4.37Å; V1834-L1838 HydrophobicContact CG1-CD1 3.99Å; V1834-L1838 HydrophobicContact CG1-CG 3.89Å
1839	T	45.9	Very low	45.1	Very low	46 Å²	46	60.2 Å²	60.2	28%	0.282	35%	0.345	S	S	.	.			trans	-99.4	-52.3	-177.3	38.3	0	0	0	0	112.6	D583 Q1768 T1837	D583-T1839 VanDerWaalsContact CG-OG1 3.26Å; D583-T1839 WeakPolarHBondContact OD2-CB 2.95Å; D583-T1839 WeakPolarHBondContact OD2-CG2 3.17Å; D583-T1839 PolarHBondContact OD2-OG1 2.93Å; Q1768-T1839 WeakPolarHBondContact CB-O 3.34Å; Q1768-T1839 PolarHBondContact N-O 2.88Å; Q1768-T1839 VanDerWaalsContact N-O 3.09Å; T1837-T1839 PolarHBondContact O-N 2.8Å
1840	E	45.7	Very low	47.3	Very low	71 Å²	71	61.6 Å²	61.6	33%	0.332	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	158.6	175.8	-66.8	-173.4	-168.8	0	0	112.6	F1710 V1766 Q1842	F1710-E1840 HydrophobicContact CE2-CB 4.22Å; F1710-E1840 HydrophobicContact CE2-CG 4.25Å; F1710-E1840 WeakPolarHBondContact CZ-OE2 3.42Å; V1766-E1840 CarbonylContact O-C 3.53Å; V1766-E1840 WeakPolarHBondContact O-CA 3.21Å; E1840-Q1842 HydrophobicContact CB-CG 4.44Å; E1840-Q1842 PolarHBondContact OE2-NE2 3.28Å
1841	I	46.3	Very low	49.7	Very low	39 Å²	39	58.5 Å²	58.5	20%	0.2	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	110.4	168.3	-55.3	177.2	0	0	0	107.7	K1765 V1766 V1844 L1882	K1765-I1841 CarbonylContact C-O 3.5Å; K1765-I1841 WeakPolarHBondContact CA-O 3.4Å; V1766-I1841 HydrophobicContact CB-CB 4.4Å; V1766-I1841 HydrophobicContact CB-CD1 4.48Å; V1766-I1841 PolarHBondContact N-O 3.43Å; V1766-I1841 PolarHBondContact O-N 2.88Å; I1841-V1844 HydrophobicContact CG2-CG2 3.51Å; I1841-L1882 HydrophobicContact CG2-CD1 4.22Å
1842	Q	47.6	Very low	52.2	Low	67 Å²	67	58.4 Å²	58.4	31%	0.313	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140	-171.4	-57.1	-162.7	-12.2	0	0	113.3	E590 F1710 E1840 V1844	E590-Q1842 PolarHBondContact OE2-NE2 3Å; E590-Q1842 PolarHBondContact OE2-OE1 2.79Å; F1710-Q1842 HydrophobicContact CE1-CG 4.4Å; F1710-Q1842 HydrophobicContact CE2-CG 4.26Å; F1710-Q1842 HydrophobicContact CZ-CG 3.65Å; E1840-Q1842 HydrophobicContact CB-CG 4.44Å; E1840-Q1842 PolarHBondContact OE2-NE2 3.28Å; Q1842-V1844 VanDerWaalsContact C-N 3.27Å; Q1842-V1844 WeakPolarHBondContact O-CG2 3.32Å; Q1842-V1844 PolarHBondContact O-N 3.1Å
1843	D	52	Low	54.7	Low	101 Å²	101	54.9 Å²	54.9	54%	0.54	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	45.9	34	167.5	-73.8	-7.1	0	0	0	117.4	K1765 V1845	K1765-D1843 WeakPolarHBondContact CE-OD1 3.2Å; K1765-D1843 IonicContact NZ-OD1 2.73Å; K1765-D1843 PolarHBondContact NZ-OD1 3.21Å; D1843-V1845 WeakPolarHBondContact O-CG2 3.48Å
1844	V	51.9	Low	57.2	Low	23 Å²	23	60 Å²	60	14%	0.139	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	147.8	-176.9	-149.1	0	0	0	0	112.4	F1180 V1764 I1841 Q1842 L1882	F1180-V1844 WeakPolarHBondContact CD2-O 3.4Å; F1180-V1844 HydrophobicContact CE2-CB 3.49Å; F1180-V1844 VanDerWaalsContact CE2-CB 3.49Å; F1180-V1844 HydrophobicContact CE2-CG1 3.68Å; F1180-V1844 VanDerWaalsContact CE2-O 3.31Å; F1180-V1844 WeakPolarHBondContact CE2-O 3.3Å; F1180-V1844 HydrophobicContact CZ-CB 4.03Å; F1180-V1844 HydrophobicContact CZ-CG1 4.16Å; V1764-V1844 PolarHBondContact N-O 2.94Å; I1841-V1844 HydrophobicContact CG2-CG2 3.51Å; Q1842-V1844 VanDerWaalsContact C-N 3.27Å; Q1842-V1844 WeakPolarHBondContact O-CG2 3.32Å; Q1842-V1844 PolarHBondContact O-N 3.1Å; V1844-L1882 HydrophobicContact CG1-CB 4.42Å; V1844-L1882 HydrophobicContact CG1-CD1 4.3Å
1845	V	58	Low	59.1	Low	38 Å²	38	60.9 Å²	60.9	23%	0.23	32%	0.322	C	S	.	.			trans	-146.1	90.3	-157.4	176.3	0	0	0	0	109.6	T1178 R1179 F1180 D1843	T1178-V1845 VanDerWaalsContact C-CG1 3.45Å; T1178-V1845 CarbonylContact C-O 3.56Å; T1178-V1845 VanDerWaalsContact CA-O 3.3Å; T1178-V1845 WeakPolarHBondContact CA-O 3.32Å; T1178-V1845 WeakPolarHBondContact CB-O 3.16Å; T1178-V1845 VanDerWaalsContact CG2-O 3.27Å; T1178-V1845 WeakPolarHBondContact CG2-O 3.31Å; R1179-V1845 HydrophobicContact CB-CB 4.3Å; R1179-V1845 HydrophobicContact CB-CG1 3.35Å; R1179-V1845 HydrophobicContact CG-CB 4.27Å; R1179-V1845 HydrophobicContact CG-CG1 3.57Å; R1179-V1845 HydrophobicContact CG-CG2 4.35Å; R1179-V1845 PolarHBondContact N-O 2.85Å; F1180-V1845 VanDerWaalsContact CE2-N 3.26Å; D1843-V1845 WeakPolarHBondContact O-CG2 3.48Å
1846	L	58.6	Low	61.4	Low	3 Å²	3	61.1 Å²	61.1	2%	0.016	31%	0.313	C	S	.	.			trans	-95.1	101.4	179.1	-39.4	168.7	0	0	0	116.2	R1179 F1180 K1181 V1875 Q1878	R1179-L1846 VanDerWaalsContact C-N 3.34Å; R1179-L1846 CarbonylContact C-O 3.51Å; R1179-L1846 VanDerWaalsContact CA-N 3.3Å; R1179-L1846 CarbonylContact O-C 3.41Å; R1179-L1846 VanDerWaalsContact O-C 3.3Å; F1180-L1846 CarbonylContact C-O 3.53Å; F1180-L1846 VanDerWaalsContact C-O 3.26Å; F1180-L1846 WeakPolarHBondContact CA-O 3.49Å; F1180-L1846 HydrophobicContact CB-CB 4.46Å; F1180-L1846 HydrophobicContact CB-CG 4.43Å; F1180-L1846 HydrophobicContact CD1-CB 4.44Å; F1180-L1846 HydrophobicContact CD1-CD1 3.47Å; F1180-L1846 VanDerWaalsContact CD1-CD1 3.47Å; F1180-L1846 HydrophobicContact CD1-CG 3.56Å; F1180-L1846 HydrophobicContact CD2-CB 4.12Å; F1180-L1846 HydrophobicContact CD2-CD1 4.44Å; F1180-L1846 HydrophobicContact CD2-CD2 4.35Å; F1180-L1846 HydrophobicContact CD2-CG 3.6Å; F1180-L1846 HydrophobicContact CE1-CD1 3.44Å; F1180-L1846 VanDerWaalsContact CE1-CD1 3.44Å; F1180-L1846 HydrophobicContact CE1-CD2 4.05Å; F1180-L1846 HydrophobicContact CE1-CG 3.52Å; F1180-L1846 HydrophobicContact CE2-CB 4.37Å; F1180-L1846 HydrophobicContact CE2-CD1 4.34Å; F1180-L1846 HydrophobicContact CE2-CD2 3.73Å; F1180-L1846 HydrophobicContact CE2-CG 3.46Å; F1180-L1846 VanDerWaalsContact CE2-CG 3.46Å; F1180-L1846 HydrophobicContact CG-CB 4.09Å; F1180-L1846 HydrophobicContact CG-CD1 3.98Å; F1180-L1846 HydrophobicContact CG-CG 3.59Å; F1180-L1846 HydrophobicContact CZ-CD1 3.89Å; F1180-L1846 HydrophobicContact CZ-CD2 3.58Å; F1180-L1846 HydrophobicContact CZ-CG 3.44Å; F1180-L1846 VanDerWaalsContact CZ-CG 3.44Å; F1180-L1846 PolarHBondContact N-O 3.39Å; F1180-L1846 VanDerWaalsContact N-O 3.14Å; K1181-L1846 HydrophobicContact CG-CD1 4.44Å; L1846-V1875 HydrophobicContact CD1-CG1 4.25Å; L1846-Q1878 HydrophobicContact CB-CB 3.35Å; L1846-Q1878 HydrophobicContact CB-CG 3.77Å; L1846-Q1878 HydrophobicContact CD1-CB 4.43Å; L1846-Q1878 VanDerWaalsContact CD2-C 3.48Å; L1846-Q1878 HydrophobicContact CD2-CB 3.39Å; L1846-Q1878 VanDerWaalsContact CD2-O 3.25Å; L1846-Q1878 WeakPolarHBondContact CD2-O 3.4Å; L1846-Q1878 HydrophobicContact CG-CB 3.81Å
1847	K	67.2	Low	63.6	Low	58 Å²	58	56.8 Å²	56.8	25%	0.252	28%	0.283	S	S	.	.			trans	-74.3	142.3	-173.7	-126	174	-149.7	157	0	112.1	W1176 P1177 T1178 R1179 E1761 Q1878	W1176-K1847 PolarHBondContact O-NZ 3.29Å; W1176-K1847 VanDerWaalsContact O-NZ 3.17Å; P1177-K1847 VanDerWaalsContact C-CD 3.48Å; P1177-K1847 WeakPolarHBondContact O-CE 3.1Å; P1177-K1847 PolarHBondContact O-NZ 3.44Å; T1178-K1847 VanDerWaalsContact C-CB 3.44Å; T1178-K1847 VanDerWaalsContact C-CG 3.42Å; T1178-K1847 WeakPolarHBondContact O-CD 3.42Å; T1178-K1847 WeakPolarHBondContact O-CE 3.47Å; T1178-K1847 WeakPolarHBondContact O-CG 3.23Å; R1179-K1847 VanDerWaalsContact N-CA 3.31Å; R1179-K1847 WeakPolarHBondContact O-CA 3.2Å; E1761-K1847 HydrophobicContact CG-CG 4.33Å; E1761-K1847 WeakPolarHBondContact OE1-CE 3.22Å; E1761-K1847 IonicContact OE1-NZ 2.71Å; E1761-K1847 PolarHBondContact OE1-NZ 2.82Å; K1847-Q1878 PolarHBondContact O-NE2 3.36Å; K1847-Q1878 VanDerWaalsContact O-NE2 3.16Å
1848	L	68	Low	65.2	Low	24 Å²	24	56 Å²	56	13%	0.126	28%	0.277	C	S	.	.			trans	-125.6	140.5	178.8	-51.1	179.1	0	0	0	110.4	Y1871 Q1874 V1875	L1848-Y1871 HydrophobicContact CB-CD1 4.45Å; L1848-Y1871 HydrophobicContact CB-CE1 4.32Å; L1848-Y1871 HydrophobicContact CD1-CD1 4.46Å; L1848-Q1874 HydrophobicContact CD2-CB 3.52Å; L1848-V1875 HydrophobicContact CD1-CG2 4.42Å; L1848-V1875 HydrophobicContact CD2-CG2 3.83Å
1849	A	71.2	Confident	66.9	Low	40 Å²	40	55.6 Å²	55.6	33%	0.331	28%	0.278	S	S	.	.			trans	-80.7	173.8	171.9	0	0	0	0	0	111.5	Y1871	A1849-Y1871 WeakPolarHBondContact O-CE1 3.29Å; A1849-Y1871 PolarHBondContact O-OH 2.78Å
1850	Y	76.4	Confident	67.9	Low	142 Å²	142	57.3 Å²	57.3	56%	0.557	28%	0.281	S	S	*	.			trans	-98.3	170.2	174.1	68.2	-86.1	0	0	0	111.8	E1852 H1870	Y1850-E1852 HydrophobicContact CD2-CB 4.49Å; Y1850-E1852 HydrophobicContact CE2-CB 4.4Å; Y1850-H1870 PolarHBondContact O-CE1 3.45Å
1851	F	84.3	Confident	69.1	Low	12 Å²	12	58 Å²	58	5%	0.053	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.2	-179.3	178.6	-99.6	0	0	0	110.7	K1756 L1757 R1853 L1863 E1866 A1867 H1870 Y1871	K1756-F1851 CarbonylContact C-O 3.57Å; K1756-F1851 WeakPolarHBondContact CA-O 3.07Å; L1757-F1851 HydrophobicContact CB-CB 4.48Å; L1757-F1851 PolarHBondContact N-O 3.36Å; L1757-F1851 PolarHBondContact O-N 2.89Å; F1851-R1853 HydrophobicContact CE1-CG 4.32Å; F1851-R1853 HydrophobicContact CZ-CG 4.05Å; F1851-L1863 HydrophobicContact CE1-CD1 3.46Å; F1851-L1863 VanDerWaalsContact CE1-CD1 3.46Å; F1851-L1863 HydrophobicContact CE1-CG 3.82Å; F1851-L1863 HydrophobicContact CZ-CD1 3.78Å; F1851-L1863 HydrophobicContact CZ-CG 4.18Å; F1851-E1866 HydrophobicContact CE2-CB 3.83Å; F1851-E1866 HydrophobicContact CZ-CB 3.86Å; F1851-A1867 HydrophobicContact CD1-CB 3.86Å; F1851-A1867 HydrophobicContact CD2-CB 4.4Å; F1851-A1867 HydrophobicContact CE1-CB 3.87Å; F1851-A1867 HydrophobicContact CE2-CB 4.43Å; F1851-A1867 HydrophobicContact CG-CB 4.13Å; F1851-A1867 HydrophobicContact CZ-CB 4.17Å; F1851-H1870 HydrophobicContact CD2-CB 4.43Å; F1851-Y1871 HydrophobicContact CB-CE2 4.12Å
1852	E	87.6	Confident	70.3	Confident	45 Å²	45	57.9 Å²	57.9	21%	0.21	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	144	-177.3	-170.3	168.4	-168.5	0	0	112.5	Y1754 C1755 K1756 Y1850 R1854	Y1754-E1852 VanDerWaalsContact CE2-OE1 3.29Å; Y1754-E1852 WeakPolarHBondContact CE2-OE1 3.48Å; Y1754-E1852 PolarHBondContact OH-OE1 3.29Å; C1755-E1852 CarbonylContact O-C 3.58Å; C1755-E1852 WeakPolarHBondContact O-CA 3.45Å; K1756-E1852 HydrophobicContact CB-CG 4.39Å; Y1850-E1852 HydrophobicContact CD2-CB 4.49Å; Y1850-E1852 HydrophobicContact CE2-CB 4.4Å; E1852-R1854 HydrophobicContact CG-CG 4.43Å; E1852-R1854 IonicContact OE1-CZ 3.83Å; E1852-R1854 IonicContact OE1-NE 2.94Å; E1852-R1854 PolarHBondContact OE1-NE 3.07Å; E1852-R1854 IonicContact OE1-NH2 2.88Å; E1852-R1854 PolarHBondContact OE1-NH2 2.76Å; E1852-R1854 IonicContact OE2-NH2 3.95Å
1853	R	85.5	Confident	71.7	Confident	79 Å²	79	55 Å²	55	30%	0.298	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.6	173.8	-63.1	-71	171.1	-113.1	20.2	108.9	V1194 C1755 F1851 L1863 E1866	V1194-R1853 HydrophobicContact CG2-CG 4.19Å; C1755-R1853 HydrophobicContact CB-CB 4.36Å; C1755-R1853 PolarHBondContact N-O 2.72Å; C1755-R1853 PolarHBondContact O-N 2.86Å; F1851-R1853 HydrophobicContact CE1-CG 4.32Å; F1851-R1853 HydrophobicContact CZ-CG 4.05Å; R1853-L1863 HydrophobicContact CG-CD1 3.93Å; R1853-E1866 IonicContact CZ-OE1 2.68Å; R1853-E1866 IonicContact CZ-OE2 2.93Å; R1853-E1866 VanDerWaalsContact CZ-OE2 3.29Å; R1853-E1866 IonicContact NE-OE1 2.67Å; R1853-E1866 IonicContact NE-OE2 2.74Å; R1853-E1866 PolarHBondContact NE-OE2 2.95Å; R1853-E1866 IonicContact NH2-OE1 2.72Å; R1853-E1866 PolarHBondContact NH2-OE1 3.4Å; R1853-E1866 IonicContact NH2-OE2 3.46Å; R1853-E1866 PolarHBondContact NH2-OE2 2.71Å; R1853-E1866 VanDerWaalsContact NH2-OE2 3.07Å
1854	R	84.4	Confident	72.5	Confident	152 Å²	152	52.2 Å²	52.2	57%	0.574	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.7	138	-177.8	-55.8	-171.9	-176.7	169.6	3.2	111.7	Y1754 E1852 V1856	Y1754-R1854 HydrophobicContact CD2-CG 3.85Å; Y1754-R1854 HydrophobicContact CE2-CG 3.86Å; E1852-R1854 HydrophobicContact CG-CG 4.43Å; E1852-R1854 IonicContact OE1-CZ 3.83Å; E1852-R1854 IonicContact OE1-NE 2.94Å; E1852-R1854 PolarHBondContact OE1-NE 3.07Å; E1852-R1854 IonicContact OE1-NH2 2.88Å; E1852-R1854 PolarHBondContact OE1-NH2 2.76Å; E1852-R1854 IonicContact OE2-NH2 3.95Å; R1854-V1856 VanDerWaalsContact C-N 3.32Å; R1854-V1856 WeakPolarHBondContact O-CG2 3.35Å; R1854-V1856 PolarHBondContact O-N 3.25Å
1855	S	78.6	Confident	73.2	Confident	75 Å²	75	53.9 Å²	53.9	52%	0.524	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.8	40	171.9	-54.8	0	0	0	0	115.2	Y1751 V1752 Q1753	Y1751-S1855 WeakPolarHBondContact OH-CB 3.39Å; V1752-S1855 PolarHBondContact O-N 3.48Å; Q1753-S1855 PolarHBondContact O-N 2.89Å
1856	V	77.9	Confident	74.1	Confident	54 Å²	54	54.6 Å²	54.6	33%	0.327	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.4	-179.3	-154.2	0	0	0	0	110.8	V1752 R1854 M1858	V1752-V1856 WeakPolarHBondContact CA-O 3.24Å; V1752-V1856 VanDerWaalsContact CB-O 3.29Å; V1752-V1856 WeakPolarHBondContact CB-O 3.47Å; V1752-V1856 PolarHBondContact N-O 2.74Å; V1752-V1856 PolarHBondContact O-N 3.49Å; R1854-V1856 VanDerWaalsContact C-N 3.32Å; R1854-V1856 WeakPolarHBondContact O-CG2 3.35Å; R1854-V1856 PolarHBondContact O-N 3.25Å; V1856-M1858 HydrophobicContact CB-CE 4.07Å; V1856-M1858 HydrophobicContact CB-CG 3.85Å; V1856-M1858 HydrophobicContact CB-SD 3.85Å; V1856-M1858 HydrophobicContact CG1-CE 3.82Å; V1856-M1858 HydrophobicContact CG1-CG 3.84Å; V1856-M1858 HydrophobicContact CG1-SD 4.14Å; V1856-M1858 HydrophobicContact CG2-CE 4.39Å; V1856-M1858 HydrophobicContact CG2-SD 4.42Å; V1856-M1858 PolarHBondContact O-N 2.67Å
1857	F	77.5	Confident	74.7	Confident	46 Å²	46	55 Å²	55	20%	0.202	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.1	166.9	-67.2	-90.2	0	0	0	109.4	D1196 K1198 D1199 Y1751	D1196-F1857 CarbonylContact C-O 3.43Å; D1196-F1857 WeakPolarHBondContact CA-O 3.26Å; D1196-F1857 PolarHBondContact N-O 3.33Å; K1198-F1857 VanDerWaalsContact C-CG 3.47Å; K1198-F1857 VanDerWaalsContact N-CB 3.34Å; K1198-F1857 WeakPolarHBondContact O-CD1 3.33Å; K1198-F1857 WeakPolarHBondContact O-CE1 3.41Å; K1198-F1857 WeakPolarHBondContact O-CG 3.35Å; D1199-F1857 VanDerWaalsContact N-CE1 3.28Å; Y1751-F1857 AromaticContact CD2-CD1 3.8Å; Y1751-F1857 HydrophobicContact CD2-CD1 3.8Å; Y1751-F1857 AromaticContact CD2-CD2 3.77Å; Y1751-F1857 HydrophobicContact CD2-CD2 3.77Å; Y1751-F1857 AromaticContact CD2-CE1 3.66Å; Y1751-F1857 HydrophobicContact CD2-CE1 3.66Å; Y1751-F1857 AromaticContact CD2-CE2 3.62Å; Y1751-F1857 HydrophobicContact CD2-CE2 3.62Å; Y1751-F1857 AromaticContact CD2-CG 3.85Å; Y1751-F1857 HydrophobicContact CD2-CG 3.85Å; Y1751-F1857 AromaticContact CD2-CZ 3.56Å; Y1751-F1857 HydrophobicContact CD2-CZ 3.56Å; Y1751-F1857 HydrophobicContact CE2-CD2 4.26Å; Y1751-F1857 AromaticContact CE2-CE2 3.97Å; Y1751-F1857 HydrophobicContact CE2-CE2 3.97Å; Y1751-F1857 HydrophobicContact CE2-CZ 4.21Å; Y1751-F1857 HydrophobicContact CG-CD1 4.25Å; Y1751-F1857 AromaticContact CG-CE1 3.99Å; Y1751-F1857 HydrophobicContact CG-CE1 3.99Å; Y1751-F1857 HydrophobicContact CG-CZ 4.2Å
1858	M	68.8	Low	74.5	Confident	17 Å²	17	54.6 Å²	54.6	8%	0.084	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-150.2	129.1	-166.5	-78.7	-169.9	149.4	0	0	113.3	V1194 P1750 V1752 V1856	V1194-M1858 HydrophobicContact CB-CE 4.1Å; V1194-M1858 HydrophobicContact CB-SD 3.85Å; V1194-M1858 HydrophobicContact CG1-CE 3.95Å; V1194-M1858 HydrophobicContact CG1-SD 4.38Å; V1194-M1858 HydrophobicContact CG2-CE 3.57Å; V1194-M1858 HydrophobicContact CG2-SD 3.21Å; V1194-M1858 WeakPolarHBondContact CG2-SD 3.45Å; P1750-M1858 PolarHBondContact O-N 2.83Å; P1750-M1858 VanDerWaalsContact O-N 3.1Å; V1752-M1858 HydrophobicContact CG2-CB 3.86Å; V1856-M1858 HydrophobicContact CB-CE 4.07Å; V1856-M1858 HydrophobicContact CB-CG 3.85Å; V1856-M1858 HydrophobicContact CB-SD 3.85Å; V1856-M1858 HydrophobicContact CG1-CE 3.82Å; V1856-M1858 HydrophobicContact CG1-CG 3.84Å; V1856-M1858 HydrophobicContact CG1-SD 4.14Å; V1856-M1858 HydrophobicContact CG2-CE 4.39Å; V1856-M1858 HydrophobicContact CG2-SD 4.42Å; V1856-M1858 PolarHBondContact O-N 2.67Å
1859	S	72.1	Confident	74.3	Confident	36 Å²	36	55.5 Å²	55.5	25%	0.252	30%	0.295	S	S	.	.			trans	-63.2	155.2	-178.7	83.6	0	0	0	0	112.8	C1193 V1194 E1195 D1196 N1861	C1193-S1859 CarbonylContact C-O 3.58Å; C1193-S1859 WeakPolarHBondContact CA-O 3.02Å; C1193-S1859 VanDerWaalsContact CB-O 3.31Å; C1193-S1859 WeakPolarHBondContact CB-O 3.44Å; V1194-S1859 CarbonylContact C-O 3.55Å; V1194-S1859 PolarHBondContact N-O 2.96Å; V1194-S1859 VanDerWaalsContact O-O 3.07Å; V1194-S1859 PolarHBondContact O-OG 3Å; E1195-S1859 WeakPolarHBondContact O-CB 3.31Å; E1195-S1859 PolarHBondContact O-N 3.18Å; E1195-S1859 PolarHBondContact O-OG 2.86Å; E1195-S1859 VanDerWaalsContact O-OG 3.1Å; D1196-S1859 PolarHBondContact O-N 2.83Å; S1859-N1861 PolarHBondContact O-N 3.14Å; S1859-N1861 PolarHBondContact OG-N 2.71Å
1860	K	65.5	Low	74.4	Confident	81 Å²	81	55.8 Å²	55.8	35%	0.352	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	26.7	172.2	-154.1	-122.8	176.6	-161.3	0	113.8	E1192 C1193	E1192-K1860 HydrophobicContact CB-CD 4.03Å; E1192-K1860 HydrophobicContact CB-CG 3.86Å; E1192-K1860 WeakPolarHBondContact CB-O 2.91Å; E1192-K1860 WeakPolarHBondContact O-CG 3.38Å; E1192-K1860 WeakPolarHBondContact OE1-CE 3.19Å; E1192-K1860 IonicContact OE1-NZ 3.73Å; E1192-K1860 PolarHBondContact OE1-NZ 3.18Å; E1192-K1860 WeakPolarHBondContact OE2-CE 3.18Å; E1192-K1860 IonicContact OE2-NZ 3.45Å; E1192-K1860 PolarHBondContact OE2-NZ 2.85Å; C1193-K1860 WeakPolarHBondContact CB-O 3.35Å
1861	N	70.7	Confident	73.7	Confident	85 Å²	85	49.7 Å²	49.7	46%	0.455	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-14.1	173.4	-98	-41.2	0	0	0	121.1	C1193 S1859	C1193-N1861 VanDerWaalsContact CB-CA 3.43Å; C1193-N1861 PolarHBondContact SG-O 3.47Å; C1193-N1861 VanDerWaalsContact SG-O 3.36Å; S1859-N1861 PolarHBondContact O-N 3.14Å; S1859-N1861 PolarHBondContact OG-N 2.71Å
1862	T	73.3	Confident	72.2	Confident	38 Å²	38	52.5 Å²	52.5	23%	0.233	28%	0.284	C	S	.	.	S	Bend	trans	-113	-0.7	-174.1	-36.2	0	0	0	0	121.4	C1193 V1194 E1195 S1865 E1866	C1193-T1862 PolarHBondContact SG-N 3.45Å; V1194-T1862 HydrophobicContact CG1-CG2 4.21Å; V1194-T1862 VanDerWaalsContact O-CB 3.24Å; V1194-T1862 WeakPolarHBondContact O-CB 3.47Å; V1194-T1862 PolarHBondContact O-N 2.88Å; V1194-T1862 PolarHBondContact O-OG1 3.47Å; E1195-T1862 HydrophobicContact CB-CG2 4.46Å; E1195-T1862 WeakPolarHBondContact OE2-CG2 3.36Å; T1862-S1865 VanDerWaalsContact CG2-OG 3.31Å; T1862-S1865 WeakPolarHBondContact CG2-OG 3.31Å; T1862-S1865 CarbonylContact O-C 3.47Å; T1862-S1865 VanDerWaalsContact O-CA 3.31Å; T1862-S1865 WeakPolarHBondContact O-CA 3.25Å; T1862-S1865 WeakPolarHBondContact O-CB 2.9Å; T1862-S1865 PolarHBondContact O-N 2.75Å; T1862-S1865 PolarHBondContact O-OG 2.74Å; T1862-E1866 PolarHBondContact O-N 3.19Å
1863	L	76.7	Confident	70.6	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-97.7	-34.9	-171.6	169.6	111.8	0	0	0	114	C1193 V1194 C1755 F1851 R1853 S1865 E1866 A1867	C1193-L1863 VanDerWaalsContact CA-CB 3.41Å; C1193-L1863 HydrophobicContact CB-CB 4.21Å; C1193-L1863 VanDerWaalsContact O-CB 3.24Å; C1193-L1863 WeakPolarHBondContact O-CB 3.44Å; C1193-L1863 PolarHBondContact SG-N 3.3Å; V1194-L1863 HydrophobicContact CB-CB 3.37Å; V1194-L1863 HydrophobicContact CB-CD1 4.3Å; V1194-L1863 HydrophobicContact CB-CG 4.42Å; V1194-L1863 VanDerWaalsContact CB-N 3.32Å; V1194-L1863 HydrophobicContact CG2-CB 3.36Å; V1194-L1863 HydrophobicContact CG2-CD1 3.3Å; V1194-L1863 HydrophobicContact CG2-CG 3.89Å; C1755-L1863 HydrophobicContact CB-CD1 4.31Å; F1851-L1863 HydrophobicContact CE1-CD1 3.46Å; F1851-L1863 VanDerWaalsContact CE1-CD1 3.46Å; F1851-L1863 HydrophobicContact CE1-CG 3.82Å; F1851-L1863 HydrophobicContact CZ-CD1 3.78Å; F1851-L1863 HydrophobicContact CZ-CG 4.18Å; R1853-L1863 HydrophobicContact CG-CD1 3.93Å; L1863-S1865 PolarHBondContact O-N 3.27Å; L1863-E1866 PolarHBondContact O-N 3.17Å; L1863-A1867 WeakPolarHBondContact O-CA 3.28Å; L1863-A1867 WeakPolarHBondContact O-CB 3.25Å; L1863-A1867 PolarHBondContact O-N 2.8Å
1864	I	68.8	Low	69.4	Low	43 Å²	43	55.3 Å²	55.3	22%	0.221	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-29	155	-66.2	-166.8	0	0	0	108.1	E1192 C1193 P1819 T1868	E1192-I1864 HydrophobicContact CG-CD1 4.15Å; C1193-I1864 PolarHBondContact SG-N 3.3Å; P1819-I1864 HydrophobicContact CG-CG2 3.88Å; P1819-I1864 VanDerWaalsContact O-CG2 3.31Å; P1819-I1864 WeakPolarHBondContact O-CG2 3.37Å; I1864-T1868 WeakPolarHBondContact O-CA 3.46Å; I1864-T1868 WeakPolarHBondContact O-CB 3.27Å; I1864-T1868 PolarHBondContact O-N 3.28Å; I1864-T1868 PolarHBondContact O-OG1 3Å
1865	S	66.6	Low	68.1	Low	57 Å²	57	50 Å²	50	40%	0.399	28%	0.283	S	S	.	.	H	α-helix	trans	-67.1	-50.4	170.6	126.8	0	0	0	0	112.6	T1862 L1863 T1868 G1869	T1862-S1865 VanDerWaalsContact CG2-OG 3.31Å; T1862-S1865 WeakPolarHBondContact CG2-OG 3.31Å; T1862-S1865 CarbonylContact O-C 3.47Å; T1862-S1865 VanDerWaalsContact O-CA 3.31Å; T1862-S1865 WeakPolarHBondContact O-CA 3.25Å; T1862-S1865 WeakPolarHBondContact O-CB 2.9Å; T1862-S1865 PolarHBondContact O-N 2.75Å; T1862-S1865 PolarHBondContact O-OG 2.74Å; L1863-S1865 PolarHBondContact O-N 3.27Å; S1865-T1868 PolarHBondContact O-N 2.84Å; S1865-G1869 PolarHBondContact O-N 3.15Å
1866	E	76.1	Confident	66.6	Low	53 Å²	53	50.7 Å²	50.7	25%	0.248	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-47.7	175.7	-82.6	-159.6	116.4	0	0	112.4	V1194 F1851 R1853 T1862 L1863 G1869 H1870	V1194-E1866 HydrophobicContact CG1-CG 3.85Å; V1194-E1866 WeakPolarHBondContact CG1-OE2 3.4Å; V1194-E1866 VanDerWaalsContact CG2-OE2 3.23Å; V1194-E1866 WeakPolarHBondContact CG2-OE2 3.33Å; F1851-E1866 HydrophobicContact CE2-CB 3.83Å; F1851-E1866 HydrophobicContact CZ-CB 3.86Å; R1853-E1866 IonicContact CZ-OE1 2.68Å; R1853-E1866 IonicContact CZ-OE2 2.93Å; R1853-E1866 VanDerWaalsContact CZ-OE2 3.29Å; R1853-E1866 IonicContact NE-OE1 2.67Å; R1853-E1866 IonicContact NE-OE2 2.74Å; R1853-E1866 PolarHBondContact NE-OE2 2.95Å; R1853-E1866 IonicContact NH2-OE1 2.72Å; R1853-E1866 PolarHBondContact NH2-OE1 3.4Å; R1853-E1866 IonicContact NH2-OE2 3.46Å; R1853-E1866 PolarHBondContact NH2-OE2 2.71Å; R1853-E1866 VanDerWaalsContact NH2-OE2 3.07Å; T1862-E1866 PolarHBondContact O-N 3.19Å; L1863-E1866 PolarHBondContact O-N 3.17Å; E1866-G1869 PolarHBondContact O-N 3.14Å; E1866-H1870 WeakPolarHBondContact O-CB 3.31Å; E1866-H1870 PolarHBondContact O-N 3.07Å
1867	A	72	Confident	65	Low	12 Å²	12	53.6 Å²	53.6	10%	0.099	29%	0.291	C	S	.	.	H	α-helix	trans	-66.7	-38.6	179.4	0	0	0	0	0	111.4	F1851 L1863 Y1871	F1851-A1867 HydrophobicContact CD1-CB 3.86Å; F1851-A1867 HydrophobicContact CD2-CB 4.4Å; F1851-A1867 HydrophobicContact CE1-CB 3.87Å; F1851-A1867 HydrophobicContact CE2-CB 4.43Å; F1851-A1867 HydrophobicContact CG-CB 4.13Å; F1851-A1867 HydrophobicContact CZ-CB 4.17Å; L1863-A1867 WeakPolarHBondContact O-CA 3.28Å; L1863-A1867 WeakPolarHBondContact O-CB 3.25Å; L1863-A1867 PolarHBondContact O-N 2.8Å; A1867-Y1871 WeakPolarHBondContact O-CB 3.27Å; A1867-Y1871 WeakPolarHBondContact O-CD2 3.31Å; A1867-Y1871 PolarHBondContact O-N 3.48Å
1868	T	61.5	Low	63.6	Low	50 Å²	50	53 Å²	53	31%	0.307	29%	0.289	S	S	.	.	H	α-helix	trans	-66.3	-46.5	172.7	-62.1	0	0	0	0	110.2	I1864 S1865 H1870 Y1871 V1872	I1864-T1868 WeakPolarHBondContact O-CA 3.46Å; I1864-T1868 WeakPolarHBondContact O-CB 3.27Å; I1864-T1868 PolarHBondContact O-N 3.28Å; I1864-T1868 PolarHBondContact O-OG1 3Å; S1865-T1868 PolarHBondContact O-N 2.84Å; T1868-H1870 VanDerWaalsContact C-N 3.34Å; T1868-H1870 PolarHBondContact O-N 2.95Å; T1868-Y1871 PolarHBondContact O-N 3.45Å; T1868-V1872 HydrophobicContact CG2-CG2 3.78Å; T1868-V1872 WeakPolarHBondContact O-CB 3.28Å; T1868-V1872 WeakPolarHBondContact O-CG2 3.47Å; T1868-V1872 PolarHBondContact O-N 2.79Å
1869	G	64.4	Low	62.4	Low	43 Å²	43	55 Å²	55	44%	0.443	30%	0.299	S	S	.	.	H	α-helix	trans	-57.6	-46.2	176.2	0	0	0	0	0	112	S1865 E1866 K1873	S1865-G1869 PolarHBondContact O-N 3.15Å; E1866-G1869 PolarHBondContact O-N 3.14Å; G1869-K1873 WeakPolarHBondContact O-CB 3.21Å; G1869-K1873 PolarHBondContact O-N 2.97Å
1870	H	73.2	Confident	60.6	Low	45 Å²	45	60.3 Å²	60.3	21%	0.208	32%	0.315	C	S	.	.	H	α-helix	trans	-56.3	-56.7	173.5	174.7	-104.2	0	0	0	111.4	Y1850 F1851 E1866 T1868 K1873 Q1874	Y1850-H1870 PolarHBondContact O-CE1 3.45Å; F1851-H1870 HydrophobicContact CD2-CB 4.43Å; E1866-H1870 WeakPolarHBondContact O-CB 3.31Å; E1866-H1870 PolarHBondContact O-N 3.07Å; T1868-H1870 VanDerWaalsContact C-N 3.34Å; T1868-H1870 PolarHBondContact O-N 2.95Å; H1870-K1873 PolarHBondContact O-N 3.34Å; H1870-Q1874 VanDerWaalsContact O-CG 3.26Å; H1870-Q1874 WeakPolarHBondContact O-CG 3.32Å; H1870-Q1874 PolarHBondContact O-N 2.76Å; H1870-Q1874 VanDerWaalsContact O-N 3.13Å
1871	Y	61.5	Low	59.2	Low	14 Å²	14	58.4 Å²	58.4	6%	0.055	31%	0.31	C	S	.	.	H	α-helix	trans	-74.5	-32	-173.5	-80	-62.6	0	0	0	114.1	C1182 L1757 V1759 L1848 A1849 F1851 A1867 T1868 Q1874 V1875	C1182-Y1871 VanDerWaalsContact SG-CB 3.51Å; C1182-Y1871 WeakPolarHBondContact SG-CD1 3.47Å; L1757-Y1871 HydrophobicContact CD2-CD2 4.34Å; L1757-Y1871 HydrophobicContact CD2-CE2 3.73Å; L1757-Y1871 HydrophobicContact CG-CE2 3.93Å; L1757-Y1871 PolarHBondContact O-OH 2.87Å; V1759-Y1871 HydrophobicContact CB-CE1 4.47Å; V1759-Y1871 HydrophobicContact CG2-CE1 4.08Å; L1848-Y1871 HydrophobicContact CB-CD1 4.45Å; L1848-Y1871 HydrophobicContact CB-CE1 4.32Å; L1848-Y1871 HydrophobicContact CD1-CD1 4.46Å; A1849-Y1871 WeakPolarHBondContact O-CE1 3.29Å; A1849-Y1871 PolarHBondContact O-OH 2.78Å; F1851-Y1871 HydrophobicContact CB-CE2 4.12Å; A1867-Y1871 WeakPolarHBondContact O-CB 3.27Å; A1867-Y1871 WeakPolarHBondContact O-CD2 3.31Å; A1867-Y1871 PolarHBondContact O-N 3.48Å; T1868-Y1871 PolarHBondContact O-N 3.45Å; Y1871-Q1874 PolarHBondContact O-N 3.26Å; Y1871-V1875 WeakPolarHBondContact O-CG2 3.25Å; Y1871-V1875 PolarHBondContact O-N 2.81Å
1872	V	54	Low	57.8	Low	72 Å²	72	56.6 Å²	56.6	44%	0.436	30%	0.3	S	S	.	.	H	α-helix	trans	-64.2	-45	171.5	169.1	0	0	0	0	110.5	T1868 Q1874 V1875 I1876	T1868-V1872 HydrophobicContact CG2-CG2 3.78Å; T1868-V1872 WeakPolarHBondContact O-CB 3.28Å; T1868-V1872 WeakPolarHBondContact O-CG2 3.47Å; T1868-V1872 PolarHBondContact O-N 2.79Å; V1872-Q1874 VanDerWaalsContact C-N 3.34Å; V1872-Q1874 PolarHBondContact O-N 3.28Å; V1872-V1875 PolarHBondContact O-N 2.87Å; V1872-I1876 HydrophobicContact CG1-CD1 3.68Å; V1872-I1876 HydrophobicContact CG1-CG1 4.4Å; V1872-I1876 WeakPolarHBondContact O-CG1 3.42Å; V1872-I1876 PolarHBondContact O-N 2.73Å
1873	K	54.4	Low	56.1	Low	135 Å²	135	58.3 Å²	58.3	59%	0.587	31%	0.311	S	S	*	.	H	α-helix	trans	-57.5	-45.6	176.1	-177.1	178.1	-178.6	179.5	0	111.7	G1869 H1870 I1876 M1877	G1869-K1873 WeakPolarHBondContact O-CB 3.21Å; G1869-K1873 PolarHBondContact O-N 2.97Å; H1870-K1873 PolarHBondContact O-N 3.34Å; K1873-I1876 PolarHBondContact O-N 2.99Å; K1873-M1877 HydrophobicContact CG-CE 4.4Å; K1873-M1877 WeakPolarHBondContact O-CG 3.49Å; K1873-M1877 PolarHBondContact O-N 2.69Å
1874	Q	60.4	Low	54	Low	47 Å²	47	61.7 Å²	61.7	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-43	177.9	-64.8	-72.5	-1.1	0	0	112.5	L1848 H1870 Y1871 V1872 Q1878	L1848-Q1874 HydrophobicContact CD2-CB 3.52Å; H1870-Q1874 VanDerWaalsContact O-CG 3.26Å; H1870-Q1874 WeakPolarHBondContact O-CG 3.32Å; H1870-Q1874 PolarHBondContact O-N 2.76Å; H1870-Q1874 VanDerWaalsContact O-N 3.13Å; Y1871-Q1874 PolarHBondContact O-N 3.26Å; V1872-Q1874 VanDerWaalsContact C-N 3.34Å; V1872-Q1874 PolarHBondContact O-N 3.28Å; Q1874-Q1878 VanDerWaalsContact O-CG 3.3Å; Q1874-Q1878 WeakPolarHBondContact O-CG 3.33Å
1875	V	55.3	Low	52.5	Low	42 Å²	42	60.8 Å²	60.8	26%	0.255	33%	0.329	S	S	.	.	H	α-helix	trans	-65.6	-39	177.6	169.1	0	0	0	0	112.1	L1846 L1848 Y1871 V1872 L1879	L1846-V1875 HydrophobicContact CD1-CG1 4.25Å; L1848-V1875 HydrophobicContact CD1-CG2 4.42Å; L1848-V1875 HydrophobicContact CD2-CG2 3.83Å; Y1871-V1875 WeakPolarHBondContact O-CG2 3.25Å; Y1871-V1875 PolarHBondContact O-N 2.81Å; V1872-V1875 PolarHBondContact O-N 2.87Å; V1875-L1879 PolarHBondContact O-N 2.76Å
1876	I	47.4	Very low	51.2	Low	89 Å²	89	60.9 Å²	60.9	46%	0.456	33%	0.325	S	S	.	.	H	α-helix	trans	-66.8	-45.9	179.6	-70	169.4	0	0	0	111.7	V1872 K1873 Q1878 L1879	V1872-I1876 HydrophobicContact CG1-CD1 3.68Å; V1872-I1876 HydrophobicContact CG1-CG1 4.4Å; V1872-I1876 WeakPolarHBondContact O-CG1 3.42Å; V1872-I1876 PolarHBondContact O-N 2.73Å; K1873-I1876 PolarHBondContact O-N 2.99Å; I1876-Q1878 PolarHBondContact O-N 3.36Å; I1876-L1879 VanDerWaalsContact O-CB 3.32Å; I1876-L1879 WeakPolarHBondContact O-CB 3.34Å; I1876-L1879 PolarHBondContact O-N 2.77Å
1877	M	44.1	Very low	49.4	Very low	115 Å²	115	60.8 Å²	60.8	57%	0.567	33%	0.326	S	S	*	.	H	α-helix	trans	-55.7	-40.4	-179.5	-76.6	-177.3	168.1	0	0	112.2	K1873 L1879	K1873-M1877 HydrophobicContact CG-CE 4.4Å; K1873-M1877 WeakPolarHBondContact O-CG 3.49Å; K1873-M1877 PolarHBondContact O-N 2.69Å; M1877-L1879 VanDerWaalsContact C-N 3.34Å
1878	Q	48	Very low	47.6	Very low	33 Å²	33	62.6 Å²	62.6	15%	0.154	34%	0.336	C	S	.	.	H	α-helix	trans	-79.8	-16.5	-178.2	-57.5	-85.9	-22.3	0	0	112.5	L1846 K1847 Q1874 I1876 Y1880 V1881	L1846-Q1878 HydrophobicContact CB-CB 3.35Å; L1846-Q1878 HydrophobicContact CB-CG 3.77Å; L1846-Q1878 HydrophobicContact CD1-CB 4.43Å; L1846-Q1878 VanDerWaalsContact CD2-C 3.48Å; L1846-Q1878 HydrophobicContact CD2-CB 3.39Å; L1846-Q1878 VanDerWaalsContact CD2-O 3.25Å; L1846-Q1878 WeakPolarHBondContact CD2-O 3.4Å; L1846-Q1878 HydrophobicContact CG-CB 3.81Å; K1847-Q1878 PolarHBondContact O-NE2 3.36Å; K1847-Q1878 VanDerWaalsContact O-NE2 3.16Å; Q1874-Q1878 VanDerWaalsContact O-CG 3.3Å; Q1874-Q1878 WeakPolarHBondContact O-CG 3.33Å; I1876-Q1878 PolarHBondContact O-N 3.36Å; Q1878-Y1880 VanDerWaalsContact C-N 3.28Å; Q1878-Y1880 PolarHBondContact O-N 2.88Å; Q1878-V1881 WeakPolarHBondContact O-CB 3.39Å; Q1878-V1881 PolarHBondContact O-N 2.84Å
1879	L	45.1	Very low	46.4	Very low	59 Å²	59	64.9 Å²	64.9	31%	0.309	35%	0.345	S	S	.	.	H	α-helix	trans	-67.3	-27.8	178.5	-164.6	72.8	0	0	0	112.3	V1875 I1876 M1877 V1881 L1882 V1883	V1875-L1879 PolarHBondContact O-N 2.76Å; I1876-L1879 VanDerWaalsContact O-CB 3.32Å; I1876-L1879 WeakPolarHBondContact O-CB 3.34Å; I1876-L1879 PolarHBondContact O-N 2.77Å; M1877-L1879 VanDerWaalsContact C-N 3.34Å; L1879-V1881 VanDerWaalsContact C-N 3.25Å; L1879-V1881 PolarHBondContact O-N 2.81Å; L1879-L1882 WeakPolarHBondContact O-CB 3.49Å; L1879-L1882 PolarHBondContact O-N 2.74Å; L1879-V1883 PolarHBondContact O-N 3.32Å
1880	Y	33.2	Very low	45	Very low	147 Å²	147	63.9 Å²	63.9	58%	0.576	34%	0.335	S	S	*	.	H	α-helix	trans	-61.6	-32.9	174.7	-75.7	-83.2	0	0	0	112.9	Q1878 L1882 V1883 L1884	Q1878-Y1880 VanDerWaalsContact C-N 3.28Å; Q1878-Y1880 PolarHBondContact O-N 2.88Å; Y1880-L1882 PolarHBondContact O-N 3.11Å; Y1880-V1883 PolarHBondContact O-N 3.44Å; Y1880-V1883 VanDerWaalsContact O-N 3.1Å; Y1880-L1884 PolarHBondContact O-N 3.34Å
1881	V	36.6	Very low	43.4	Very low	42 Å²	42	63.1 Å²	63.1	26%	0.255	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-35.6	174.2	-174	0	0	0	0	110.9	Q1878 L1879 V1883 G1885 F1893	Q1878-V1881 WeakPolarHBondContact O-CB 3.39Å; Q1878-V1881 PolarHBondContact O-N 2.84Å; L1879-V1881 VanDerWaalsContact C-N 3.25Å; L1879-V1881 PolarHBondContact O-N 2.81Å; V1881-V1883 VanDerWaalsContact C-N 3.29Å; V1881-V1883 PolarHBondContact O-N 3.06Å; V1881-G1885 PolarHBondContact O-N 2.87Å; V1881-F1893 HydrophobicContact CG1-CD1 4.46Å; V1881-F1893 HydrophobicContact CG1-CE1 3.84Å; V1881-F1893 HydrophobicContact CG1-CZ 3.94Å
1882	L	41.1	Very low	42.3	Very low	46 Å²	46	64.3 Å²	64.3	24%	0.241	34%	0.342	C	S	.	.	H	α-helix	trans	-73.1	-18.1	177.4	-170.5	145.3	0	0	0	113	F1180 I1841 V1844 L1879 Y1880	F1180-L1882 HydrophobicContact CZ-CD1 4.07Å; I1841-L1882 HydrophobicContact CG2-CD1 4.22Å; V1844-L1882 HydrophobicContact CG1-CB 4.42Å; V1844-L1882 HydrophobicContact CG1-CD1 4.3Å; L1879-L1882 WeakPolarHBondContact O-CB 3.49Å; L1879-L1882 PolarHBondContact O-N 2.74Å; Y1880-L1882 PolarHBondContact O-N 3.11Å
1883	V	38	Very low	41.7	Very low	75 Å²	75	64.7 Å²	64.7	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-91.5	-42.8	176.2	179.6	0	0	0	0	111.9	L1879 Y1880 V1881 L1886	L1879-V1883 PolarHBondContact O-N 3.32Å; Y1880-V1883 PolarHBondContact O-N 3.44Å; Y1880-V1883 VanDerWaalsContact O-N 3.1Å; V1881-V1883 VanDerWaalsContact C-N 3.29Å; V1881-V1883 PolarHBondContact O-N 3.06Å; V1883-L1886 HydrophobicContact CG1-CD1 4.5Å; V1883-L1886 WeakPolarHBondContact O-CB 3.29Å; V1883-L1886 WeakPolarHBondContact O-CD1 3.31Å; V1883-L1886 VanDerWaalsContact O-CG 3.22Å; V1883-L1886 WeakPolarHBondContact O-CG 3.32Å; V1883-L1886 PolarHBondContact O-N 2.99Å
1884	L	32.4	Very low	41.2	Very low	77 Å²	77	58.5 Å²	58.5	40%	0.403	31%	0.312	S	S	.	.	H	α-helix	trans	-78.9	-22.3	-179.9	-64.1	173.8	0	0	0	113	Y1880 L1886 P1892 F1893	Y1880-L1884 PolarHBondContact O-N 3.34Å; L1884-L1886 PolarHBondContact O-N 3.4Å; L1884-P1892 WeakPolarHBondContact O-CD 3.13Å; L1884-F1893 VanDerWaalsContact C-CB 3.42Å; L1884-F1893 HydrophobicContact CB-CB 3.88Å; L1884-F1893 HydrophobicContact CB-CG 4.47Å; L1884-F1893 WeakPolarHBondContact O-CB 3.23Å; L1884-F1893 PolarHBondContact O-N 2.72Å
1885	G	36.9	Very low	40.4	Very low	23 Å²	23	59.6 Å²	59.6	24%	0.237	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	5.7	169.8	0	0	0	0	0	115	V1881 D1887	V1881-G1885 PolarHBondContact O-N 2.87Å; G1885-D1887 PolarHBondContact O-N 3.15Å
1886	L	39.9	Very low	39.7	Very low	59 Å²	59	62.8 Å²	62.8	31%	0.309	33%	0.334	S	S	.	.			trans	-70.9	125.4	-179.8	-74.4	175.7	0	0	0	112.2	V1883 L1884 V1888 L1889	V1883-L1886 HydrophobicContact CG1-CD1 4.5Å; V1883-L1886 WeakPolarHBondContact O-CB 3.29Å; V1883-L1886 WeakPolarHBondContact O-CD1 3.31Å; V1883-L1886 VanDerWaalsContact O-CG 3.22Å; V1883-L1886 WeakPolarHBondContact O-CG 3.32Å; V1883-L1886 PolarHBondContact O-N 2.99Å; L1884-L1886 PolarHBondContact O-N 3.4Å; L1886-V1888 HydrophobicContact CB-CG2 4.19Å; L1886-V1888 PolarHBondContact O-N 2.55Å; L1886-L1889 PolarHBondContact O-N 3.34Å; L1886-L1889 VanDerWaalsContact O-N 3.16Å
1887	D	37.2	Very low	39.6	Very low	51 Å²	51	64.7 Å²	64.7	27%	0.273	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-51.9	-28.8	175.9	-56.6	-30.2	0	0	0	113.5	T582 M586 G1885 L1889 G1890	T582-D1887 WeakPolarHBondContact CB-O 3.29Å; T582-D1887 VanDerWaalsContact CG2-O 3.25Å; T582-D1887 WeakPolarHBondContact CG2-O 3.37Å; M586-D1887 WeakPolarHBondContact CE-OD1 3.26Å; M586-D1887 HydrophobicContact CG-CB 3.75Å; M586-D1887 VanDerWaalsContact CG-OD1 3.32Å; M586-D1887 WeakPolarHBondContact CG-OD1 3.44Å; M586-D1887 WeakPolarHBondContact CG-OD2 3.46Å; G1885-D1887 PolarHBondContact O-N 3.15Å; D1887-L1889 PolarHBondContact O-N 3.48Å; D1887-L1889 VanDerWaalsContact O-N 3.15Å; D1887-G1890 WeakPolarHBondContact O-CA 3.41Å; D1887-G1890 PolarHBondContact O-N 2.97Å
1888	V	34.8	Very low	39.6	Very low	50 Å²	50	60.1 Å²	60.1	30%	0.303	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-53.1	-31.5	179.3	-161.1	0	0	0	0	113.9	K579 T582 L1886	K579-V1888 HydrophobicContact CD-CG2 3.87Å; K579-V1888 VanDerWaalsContact CE-CG2 3.4Å; K579-V1888 HydrophobicContact CG-CB 4.23Å; K579-V1888 HydrophobicContact CG-CG1 3.84Å; K579-V1888 HydrophobicContact CG-CG2 3.32Å; T582-V1888 WeakPolarHBondContact OG1-CA 3.45Å; L1886-V1888 HydrophobicContact CB-CG2 4.19Å; L1886-V1888 PolarHBondContact O-N 2.55Å
1889	L	35.8	Very low	39.4	Very low	98 Å²	98	62.8 Å²	62.8	51%	0.513	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-99.2	18	-178.9	-65.7	168.1	0	0	0	112.1	L1886 D1887 P1892	L1886-L1889 PolarHBondContact O-N 3.34Å; L1886-L1889 VanDerWaalsContact O-N 3.16Å; D1887-L1889 PolarHBondContact O-N 3.48Å; D1887-L1889 VanDerWaalsContact O-N 3.15Å; L1889-P1892 VanDerWaalsContact CB-CD 3.46Å; L1889-P1892 HydrophobicContact CB-CG 3.7Å; L1889-P1892 HydrophobicContact CD1-CG 4.38Å; L1889-P1892 WeakPolarHBondContact O-CD 3.21Å
1890	G	36.5	Very low	39.3	Very low	22 Å²	22	63 Å²	63	23%	0.227	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	78	8.5	-169.1	0	0	0	0	0	113.6	D1887 R1946	D1887-G1890 WeakPolarHBondContact O-CA 3.41Å; D1887-G1890 PolarHBondContact O-N 2.97Å; G1890-R1946 PolarHBondContact O-NH1 2.95Å
1891	N	38.6	Very low	40	Very low	29 Å²	29	57.4 Å²	57.4	16%	0.155	32%	0.316	C	S	.	.			trans	53.6	75.4	-163.5	-164.4	-12	0	0	0	112.2	M586 G1894 L1895	M586-N1891 HydrophobicContact CE-CB 4.02Å; N1891-G1894 CarbonylContact O-C 3.58Å; N1891-G1894 VanDerWaalsContact O-CA 3.23Å; N1891-G1894 WeakPolarHBondContact O-CA 3.07Å; N1891-G1894 PolarHBondContact O-N 3.09Å; N1891-G1894 VanDerWaalsContact O-N 3.07Å; N1891-G1894 VanDerWaalsContact OD1-CA 3.3Å; N1891-G1894 WeakPolarHBondContact OD1-CA 3.19Å; N1891-G1894 PolarHBondContact OD1-N 3.41Å; N1891-L1895 PolarHBondContact O-N 2.92Å
1892	P	38.2	Very low	40.4	Very low	39 Å²	39	55.4 Å²	55.4	25%	0.253	30%	0.304	S	S	.	.	H	α-helix	trans	-76.5	-30.2	-175.4	32.1	-35.7	0	0	0	112	L1884 L1889 G1894 L1895 I1896	L1884-P1892 WeakPolarHBondContact O-CD 3.13Å; L1889-P1892 VanDerWaalsContact CB-CD 3.46Å; L1889-P1892 HydrophobicContact CB-CG 3.7Å; L1889-P1892 HydrophobicContact CD1-CG 4.38Å; L1889-P1892 WeakPolarHBondContact O-CD 3.21Å; P1892-G1894 PolarHBondContact O-N 2.93Å; P1892-L1895 PolarHBondContact O-N 2.68Å; P1892-I1896 WeakPolarHBondContact O-CB 3.31Å; P1892-I1896 WeakPolarHBondContact O-CG1 3.34Å; P1892-I1896 PolarHBondContact O-N 3.29Å
1893	F	42.1	Very low	40.5	Very low	80 Å²	80	55.4 Å²	55.4	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-36.4	164.2	-175.6	-103.2	0	0	0	110.3	V1881 L1884 R1897	V1881-F1893 HydrophobicContact CG1-CD1 4.46Å; V1881-F1893 HydrophobicContact CG1-CE1 3.84Å; V1881-F1893 HydrophobicContact CG1-CZ 3.94Å; L1884-F1893 VanDerWaalsContact C-CB 3.42Å; L1884-F1893 HydrophobicContact CB-CB 3.88Å; L1884-F1893 HydrophobicContact CB-CG 4.47Å; L1884-F1893 WeakPolarHBondContact O-CB 3.23Å; L1884-F1893 PolarHBondContact O-N 2.72Å; F1893-R1897 HydrophobicContact CE1-CB 4.47Å; F1893-R1897 WeakPolarHBondContact O-CA 3.31Å; F1893-R1897 WeakPolarHBondContact O-CB 3.31Å; F1893-R1897 PolarHBondContact O-N 2.72Å
1894	G	43.3	Very low	40.8	Very low	5 Å²	5	54.7 Å²	54.7	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-47	169	0	0	0	0	0	112.6	N1891 P1892 I1896 R1897 D1898	N1891-G1894 CarbonylContact O-C 3.58Å; N1891-G1894 VanDerWaalsContact O-CA 3.23Å; N1891-G1894 WeakPolarHBondContact O-CA 3.07Å; N1891-G1894 PolarHBondContact O-N 3.09Å; N1891-G1894 VanDerWaalsContact O-N 3.07Å; N1891-G1894 VanDerWaalsContact OD1-CA 3.3Å; N1891-G1894 WeakPolarHBondContact OD1-CA 3.19Å; N1891-G1894 PolarHBondContact OD1-N 3.41Å; P1892-G1894 PolarHBondContact O-N 2.93Å; G1894-I1896 PolarHBondContact O-N 2.74Å; G1894-R1897 PolarHBondContact O-N 2.86Å; G1894-D1898 WeakPolarHBondContact O-CA 3.07Å; G1894-D1898 WeakPolarHBondContact O-CB 3.29Å; G1894-D1898 PolarHBondContact O-N 3.04Å
1895	L	43.3	Very low	41.4	Very low	70 Å²	70	53.5 Å²	53.5	37%	0.366	29%	0.29	S	S	.	.	H	α-helix	trans	-59.8	-46.2	175.7	-177.3	69.4	0	0	0	111.9	N1891 P1892 L1899	N1891-L1895 PolarHBondContact O-N 2.92Å; P1892-L1895 PolarHBondContact O-N 2.68Å; L1895-L1899 WeakPolarHBondContact O-CB 3.32Å; L1895-L1899 PolarHBondContact O-N 2.88Å
1896	I	41.3	Very low	42	Very low	109 Å²	109	53.6 Å²	53.6	56%	0.559	28%	0.284	S	S	*	.	H	α-helix	trans	-70.4	-44.4	-179.3	-67.4	166.8	0	0	0	110.9	P1892 G1894 S1900	P1892-I1896 WeakPolarHBondContact O-CB 3.31Å; P1892-I1896 WeakPolarHBondContact O-CG1 3.34Å; P1892-I1896 PolarHBondContact O-N 3.29Å; G1894-I1896 PolarHBondContact O-N 2.74Å; I1896-S1900 WeakPolarHBondContact O-CA 3.36Å; I1896-S1900 WeakPolarHBondContact O-CB 3.43Å; I1896-S1900 PolarHBondContact O-N 3.02Å
1897	R	44.3	Very low	42	Very low	129 Å²	129	54 Å²	54	49%	0.487	28%	0.283	S	S	.	.	H	α-helix	trans	-67.1	-41.4	176.6	-173.8	-150.3	72.3	143.9	1	111.2	F1893 G1894 S1900 T1901	F1893-R1897 HydrophobicContact CE1-CB 4.47Å; F1893-R1897 WeakPolarHBondContact O-CA 3.31Å; F1893-R1897 WeakPolarHBondContact O-CB 3.31Å; F1893-R1897 PolarHBondContact O-N 2.72Å; G1894-R1897 PolarHBondContact O-N 2.86Å; R1897-S1900 CarbonylContact O-C 3.55Å; R1897-S1900 WeakPolarHBondContact O-CB 2.93Å; R1897-S1900 PolarHBondContact O-N 3.11Å; R1897-T1901 HydrophobicContact CG-CG2 4.4Å; R1897-T1901 WeakPolarHBondContact O-CB 3.18Å; R1897-T1901 WeakPolarHBondContact O-CG2 2.97Å; R1897-T1901 PolarHBondContact O-N 3.27Å; R1897-T1901 PolarHBondContact O-OG1 3.46Å
1898	D	45	Very low	42	Very low	19 Å²	19	57.6 Å²	57.6	10%	0.102	29%	0.294	C	S	.	.	H	α-helix	trans	-67.4	-48.5	178.7	-69.8	-10.8	0	0	0	109.4	G1894 S1900 T1901 G1902 H1935	G1894-D1898 WeakPolarHBondContact O-CA 3.07Å; G1894-D1898 WeakPolarHBondContact O-CB 3.29Å; G1894-D1898 PolarHBondContact O-N 3.04Å; D1898-S1900 VanDerWaalsContact C-N 3.29Å; D1898-S1900 PolarHBondContact O-N 3.21Å; D1898-T1901 PolarHBondContact O-N 2.96Å; D1898-T1901 PolarHBondContact O-OG1 3.42Å; D1898-G1902 PolarHBondContact O-N 3.27Å; D1898-H1935 WeakPolarHBondContact CA-ND1 3.37Å; D1898-H1935 HydrophobicContact CB-CB 4.1Å; D1898-H1935 VanDerWaalsContact CB-ND1 3.32Å; D1898-H1935 WeakPolarHBondContact CB-ND1 3.39Å; D1898-H1935 WeakPolarHBondContact O-CB 3.26Å; D1898-H1935 IonicContact OD1-CE1 2.69Å; D1898-H1935 IonicContact OD1-ND1 3.98Å
1899	L	43.5	Very low	42.5	Very low	89 Å²	89	58.6 Å²	58.6	47%	0.466	30%	0.295	S	S	.	.	H	α-helix	trans	-59.5	-40.8	173.5	-172.9	66.4	0	0	0	111.6	L1895 V1903 A1936	L1895-L1899 WeakPolarHBondContact O-CB 3.32Å; L1895-L1899 PolarHBondContact O-N 2.88Å; L1899-V1903 WeakPolarHBondContact O-CB 3.18Å; L1899-V1903 WeakPolarHBondContact O-CG2 3.43Å; L1899-V1903 PolarHBondContact O-N 2.89Å; L1899-A1936 HydrophobicContact CD1-CB 4.1Å
1900	S	44.4	Very low	42.8	Very low	63 Å²	63	54.4 Å²	54.4	44%	0.441	27%	0.274	S	S	.	.	H	α-helix	trans	-59.9	-53.7	173.5	-174.6	0	0	0	0	111.2	I1896 R1897 D1898 G1902 V1903 E1904	I1896-S1900 WeakPolarHBondContact O-CA 3.36Å; I1896-S1900 WeakPolarHBondContact O-CB 3.43Å; I1896-S1900 PolarHBondContact O-N 3.02Å; R1897-S1900 CarbonylContact O-C 3.55Å; R1897-S1900 WeakPolarHBondContact O-CB 2.93Å; R1897-S1900 PolarHBondContact O-N 3.11Å; D1898-S1900 VanDerWaalsContact C-N 3.29Å; D1898-S1900 PolarHBondContact O-N 3.21Å; S1900-G1902 VanDerWaalsContact C-N 3.32Å; S1900-G1902 PolarHBondContact O-N 2.95Å; S1900-V1903 PolarHBondContact O-N 3.02Å; S1900-E1904 WeakPolarHBondContact O-CA 3.46Å; S1900-E1904 WeakPolarHBondContact O-CB 3.46Å; S1900-E1904 PolarHBondContact O-N 2.75Å
1901	T	45.8	Very low	43	Very low	30 Å²	30	56.8 Å²	56.8	18%	0.184	28%	0.28	C	S	.	.	H	α-helix	trans	-68.8	-31.4	-178.8	53.5	0	0	0	0	112.2	R1897 D1898 V1903 Q1905 S1931	R1897-T1901 HydrophobicContact CG-CG2 4.4Å; R1897-T1901 WeakPolarHBondContact O-CB 3.18Å; R1897-T1901 WeakPolarHBondContact O-CG2 2.97Å; R1897-T1901 PolarHBondContact O-N 3.27Å; R1897-T1901 PolarHBondContact O-OG1 3.46Å; D1898-T1901 PolarHBondContact O-N 2.96Å; D1898-T1901 PolarHBondContact O-OG1 3.42Å; T1901-V1903 VanDerWaalsContact C-N 3.34Å; T1901-Q1905 WeakPolarHBondContact O-CB 3.23Å; T1901-Q1905 WeakPolarHBondContact O-CG 3.08Å; T1901-Q1905 PolarHBondContact O-N 2.67Å; T1901-S1931 PolarHBondContact O-OG 2.91Å
1902	G	46.4	Very low	43.2	Very low	1 Å²	1	60.7 Å²	60.7	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-64.4	-36.7	173.1	0	0	0	0	0	113	D1898 S1900 F1906 S1931 L1932	D1898-G1902 PolarHBondContact O-N 3.27Å; S1900-G1902 VanDerWaalsContact C-N 3.32Å; S1900-G1902 PolarHBondContact O-N 2.95Å; G1902-F1906 WeakPolarHBondContact O-CB 3.48Å; G1902-F1906 PolarHBondContact O-N 3.02Å; G1902-S1931 WeakPolarHBondContact CA-OG 3.49Å; G1902-L1932 PolarHBondContact O-N 3.08Å
1903	V	43.7	Very low	43.6	Very low	45 Å²	45	59 Å²	59	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-82.5	-41.5	174.6	172.4	0	0	0	0	111.4	L1899 S1900 T1901 F1906 F1907 L1932	L1899-V1903 WeakPolarHBondContact O-CB 3.18Å; L1899-V1903 WeakPolarHBondContact O-CG2 3.43Å; L1899-V1903 PolarHBondContact O-N 2.89Å; S1900-V1903 PolarHBondContact O-N 3.02Å; T1901-V1903 VanDerWaalsContact C-N 3.34Å; V1903-F1906 PolarHBondContact O-N 3.36Å; V1903-F1907 HydrophobicContact CG1-CD2 3.91Å; V1903-F1907 HydrophobicContact CG1-CE2 3.92Å; V1903-F1907 VanDerWaalsContact O-CD2 3.23Å; V1903-F1907 WeakPolarHBondContact O-CD2 3.27Å; V1903-F1907 PolarHBondContact O-N 3.06Å; V1903-F1907 VanDerWaalsContact O-N 3.14Å; V1903-L1932 HydrophobicContact CG2-CD1 4.14Å
1904	E	44	Very low	43.5	Very low	60 Å²	60	58.2 Å²	58.2	28%	0.28	30%	0.296	S	S	.	.	H	α-helix	trans	-59.4	-54.2	177.3	-175.7	-178.4	173.6	0	0	110	S1900 F1906 F1907 Y1908	S1900-E1904 WeakPolarHBondContact O-CA 3.46Å; S1900-E1904 WeakPolarHBondContact O-CB 3.46Å; S1900-E1904 PolarHBondContact O-N 2.75Å; E1904-F1906 VanDerWaalsContact C-N 3.34Å; E1904-F1906 PolarHBondContact O-N 3.13Å; E1904-F1907 PolarHBondContact O-N 3.39Å; E1904-F1907 VanDerWaalsContact O-N 3.15Å; E1904-Y1908 HydrophobicContact CG-CD2 3.74Å; E1904-Y1908 HydrophobicContact CG-CE2 4.25Å; E1904-Y1908 WeakPolarHBondContact O-CB 3.25Å; E1904-Y1908 WeakPolarHBondContact O-CD2 3.49Å; E1904-Y1908 PolarHBondContact O-N 2.78Å
1905	Q	43.9	Very low	43.4	Very low	52 Å²	52	64.4 Å²	64.4	24%	0.243	33%	0.326	C	S	.	.	H	α-helix	trans	-67.2	-31.5	176.3	-71.2	-172	-61.9	0	0	112.7	T1901 F1907 E1909 P1910 G1928 S1931	T1901-Q1905 WeakPolarHBondContact O-CB 3.23Å; T1901-Q1905 WeakPolarHBondContact O-CG 3.08Å; T1901-Q1905 PolarHBondContact O-N 2.67Å; Q1905-F1907 PolarHBondContact O-N 3.02Å; Q1905-E1909 HydrophobicContact CB-CG 3.65Å; Q1905-E1909 HydrophobicContact CG-CG 3.79Å; Q1905-E1909 PolarHBondContact NE2-OE1 3.2Å; Q1905-E1909 VanDerWaalsContact O-CB 3.32Å; Q1905-E1909 WeakPolarHBondContact O-CB 3.47Å; Q1905-E1909 WeakPolarHBondContact O-CG 3.32Å; Q1905-E1909 PolarHBondContact O-N 3.28Å; Q1905-P1910 WeakPolarHBondContact O-CD 3.39Å; Q1905-G1928 WeakPolarHBondContact O-CA 3.4Å; Q1905-S1931 PolarHBondContact OE1-OG 3.37Å
1906	F	50.4	Low	43.2	Very low	26 Å²	26	65.3 Å²	65.3	11%	0.114	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-26.1	172.9	-179.6	-96.5	0	0	0	113.5	G1902 V1903 E1904 P1910 V1929 L1932	G1902-F1906 WeakPolarHBondContact O-CB 3.48Å; G1902-F1906 PolarHBondContact O-N 3.02Å; V1903-F1906 PolarHBondContact O-N 3.36Å; E1904-F1906 VanDerWaalsContact C-N 3.34Å; E1904-F1906 PolarHBondContact O-N 3.13Å; F1906-P1910 WeakPolarHBondContact O-CG 3.36Å; F1906-V1929 HydrophobicContact CD2-CG2 4.42Å; F1906-V1929 HydrophobicContact CE2-CG2 4.05Å; F1906-L1932 HydrophobicContact CB-CB 4.1Å; F1906-L1932 HydrophobicContact CB-CD1 4.04Å; F1906-L1932 HydrophobicContact CD2-CB 3.87Å; F1906-L1932 HydrophobicContact CD2-CD2 3.75Å; F1906-L1932 HydrophobicContact CD2-CG 4.26Å; F1906-L1932 HydrophobicContact CE2-CD2 3.98Å; F1906-L1932 HydrophobicContact CG-CB 4.19Å; F1906-L1932 HydrophobicContact CG-CD1 4.14Å; F1906-L1932 HydrophobicContact CG-CD2 4.07Å; F1906-L1932 HydrophobicContact CG-CG 4.36Å; F1906-L1932 HydrophobicContact CZ-CD2 4.49Å
1907	F	38.7	Very low	43	Very low	66 Å²	66	61 Å²	61	29%	0.289	31%	0.312	S	S	.	.	H	α-helix	trans	-104.4	-43	176.7	-70.5	-64.5	0	0	0	113.5	L719 V1903 E1904 Q1905 I1911	L719-F1907 HydrophobicContact CD2-CE1 4.11Å; L719-F1907 HydrophobicContact CD2-CZ 3.85Å; V1903-F1907 HydrophobicContact CG1-CD2 3.91Å; V1903-F1907 HydrophobicContact CG1-CE2 3.92Å; V1903-F1907 VanDerWaalsContact O-CD2 3.23Å; V1903-F1907 WeakPolarHBondContact O-CD2 3.27Å; V1903-F1907 PolarHBondContact O-N 3.06Å; V1903-F1907 VanDerWaalsContact O-N 3.14Å; E1904-F1907 PolarHBondContact O-N 3.39Å; E1904-F1907 VanDerWaalsContact O-N 3.15Å; Q1905-F1907 PolarHBondContact O-N 3.02Å; F1907-I1911 WeakPolarHBondContact O-CB 3.27Å; F1907-I1911 VanDerWaalsContact O-CD1 3.26Å; F1907-I1911 WeakPolarHBondContact O-CD1 3.36Å; F1907-I1911 WeakPolarHBondContact O-CG1 3.42Å; F1907-I1911 PolarHBondContact O-N 3.35Å
1908	Y	37.2	Very low	42.6	Very low	128 Å²	128	59.6 Å²	59.6	50%	0.502	32%	0.319	S	S	.	.	H	α-helix	trans	-79.3	-40.2	-174.9	-80.9	-80.7	0	0	0	114.2	E1904 I1911 Q1912	E1904-Y1908 HydrophobicContact CG-CD2 3.74Å; E1904-Y1908 HydrophobicContact CG-CE2 4.25Å; E1904-Y1908 WeakPolarHBondContact O-CB 3.25Å; E1904-Y1908 WeakPolarHBondContact O-CD2 3.49Å; E1904-Y1908 PolarHBondContact O-N 2.78Å; Y1908-I1911 PolarHBondContact O-N 2.94Å; Y1908-Q1912 WeakPolarHBondContact O-CB 3.47Å; Y1908-Q1912 PolarHBondContact O-N 3.01Å
1909	E	45.4	Very low	42.2	Very low	71 Å²	71	63.4 Å²	63.4	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-63.9	-47.2	179.1	-56.6	-90.4	178.9	0	0	111.3	Q1905 G1913 G1924 V1927	Q1905-E1909 HydrophobicContact CB-CG 3.65Å; Q1905-E1909 HydrophobicContact CG-CG 3.79Å; Q1905-E1909 PolarHBondContact NE2-OE1 3.2Å; Q1905-E1909 VanDerWaalsContact O-CB 3.32Å; Q1905-E1909 WeakPolarHBondContact O-CB 3.47Å; Q1905-E1909 WeakPolarHBondContact O-CG 3.32Å; Q1905-E1909 PolarHBondContact O-N 3.28Å; E1909-G1913 PolarHBondContact O-N 3.17Å; E1909-G1924 WeakPolarHBondContact CB-O 3.45Å; E1909-G1924 WeakPolarHBondContact O-CA 3.25Å; E1909-V1927 HydrophobicContact CB-CB 4.29Å; E1909-V1927 HydrophobicContact CB-CG1 4.19Å; E1909-V1927 HydrophobicContact CG-CB 4.37Å; E1909-V1927 HydrophobicContact CG-CG1 3.72Å
1910	P	42.6	Very low	42.3	Very low	10 Å²	10	62.9 Å²	62.9	7%	0.065	33%	0.332	C	S	.	.	H	α-helix	trans	-71	-27.9	173.9	25.1	-29.5	0	0	0	113.4	Q1905 F1906 A1914 F1921 G1924 L1925	Q1905-P1910 WeakPolarHBondContact O-CD 3.39Å; F1906-P1910 WeakPolarHBondContact O-CG 3.36Å; P1910-A1914 WeakPolarHBondContact O-CB 3.34Å; P1910-A1914 PolarHBondContact O-N 2.89Å; P1910-F1921 HydrophobicContact CB-CD2 4.22Å; P1910-F1921 HydrophobicContact CB-CE2 4.07Å; P1910-F1921 WeakPolarHBondContact O-CD2 3.45Å; P1910-G1924 WeakPolarHBondContact CD-O 3.09Å; P1910-L1925 HydrophobicContact CB-CB 4.21Å; P1910-L1925 HydrophobicContact CB-CD1 4.27Å
1911	I	40.4	Very low	42.2	Very low	71 Å²	71	62.7 Å²	62.7	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-71.7	-43	174.8	-74.4	171.7	0	0	0	111.3	F1907 Y1908 G1913 A1914 I1915	F1907-I1911 WeakPolarHBondContact O-CB 3.27Å; F1907-I1911 VanDerWaalsContact O-CD1 3.26Å; F1907-I1911 WeakPolarHBondContact O-CD1 3.36Å; F1907-I1911 WeakPolarHBondContact O-CG1 3.42Å; F1907-I1911 PolarHBondContact O-N 3.35Å; Y1908-I1911 PolarHBondContact O-N 2.94Å; I1911-G1913 VanDerWaalsContact C-N 3.32Å; I1911-A1914 PolarHBondContact O-N 2.89Å; I1911-I1915 HydrophobicContact CG2-CD1 4.15Å; I1911-I1915 WeakPolarHBondContact O-CD1 3.19Å; I1911-I1915 VanDerWaalsContact O-CG1 3.3Å; I1911-I1915 WeakPolarHBondContact O-CG1 3.18Å; I1911-I1915 PolarHBondContact O-N 3.3Å
1912	Q	44	Very low	41.8	Very low	111 Å²	111	62.8 Å²	62.8	52%	0.519	33%	0.326	S	S	.	.	H	α-helix	trans	-66.3	-39.4	174.2	-175.9	170.2	-19.4	0	0	110.5	Y1908 A1914 I1915 E1916	Y1908-Q1912 WeakPolarHBondContact O-CB 3.47Å; Y1908-Q1912 PolarHBondContact O-N 3.01Å; Q1912-A1914 PolarHBondContact O-N 2.71Å; Q1912-I1915 WeakPolarHBondContact O-CA 3.42Å; Q1912-I1915 WeakPolarHBondContact O-CB 3.32Å; Q1912-I1915 PolarHBondContact O-N 2.83Å; Q1912-E1916 PolarHBondContact NE2-OE1 2.86Å; Q1912-E1916 PolarHBondContact O-N 2.92Å
1913	G	45.9	Very low	41.6	Very low	3 Å²	3	68.6 Å²	68.6	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-55.6	-48.9	170.2	0	0	0	0	0	113.1	E1909 I1911 I1915 E1916 G1917 E1920 F1921	E1909-G1913 PolarHBondContact O-N 3.17Å; I1911-G1913 VanDerWaalsContact C-N 3.32Å; G1913-I1915 PolarHBondContact O-N 3Å; G1913-E1916 PolarHBondContact O-N 3.45Å; G1913-G1917 CarbonylContact O-C 3.5Å; G1913-G1917 PolarHBondContact O-N 2.9Å; G1913-E1920 WeakPolarHBondContact CA-O 3.16Å; G1913-F1921 PolarHBondContact O-N 3.45Å
1914	A	39.7	Very low	41.6	Very low	65 Å²	65	66.6 Å²	66.6	54%	0.537	34%	0.342	S	S	.	.	H	α-helix	trans	-60.3	-17.7	175	0	0	0	0	0	114.2	P1910 I1911 Q1912 F1921	P1910-A1914 WeakPolarHBondContact O-CB 3.34Å; P1910-A1914 PolarHBondContact O-N 2.89Å; I1911-A1914 PolarHBondContact O-N 2.89Å; Q1912-A1914 PolarHBondContact O-N 2.71Å; A1914-F1921 HydrophobicContact CB-CD2 3.91Å
1915	I	40.5	Very low	41.4	Very low	134 Å²	134	66.1 Å²	66.1	69%	0.687	34%	0.341	S	S	*	.	H	α-helix	trans	-93.1	-37.3	177.3	-66	163.3	0	0	0	111.6	I1911 Q1912 G1913	I1911-I1915 HydrophobicContact CG2-CD1 4.15Å; I1911-I1915 WeakPolarHBondContact O-CD1 3.19Å; I1911-I1915 VanDerWaalsContact O-CG1 3.3Å; I1911-I1915 WeakPolarHBondContact O-CG1 3.18Å; I1911-I1915 PolarHBondContact O-N 3.3Å; Q1912-I1915 WeakPolarHBondContact O-CA 3.42Å; Q1912-I1915 WeakPolarHBondContact O-CB 3.32Å; Q1912-I1915 PolarHBondContact O-N 2.83Å; G1913-I1915 PolarHBondContact O-N 3Å
1916	E	40	Very low	41.2	Very low	89 Å²	89	66.5 Å²	66.5	42%	0.416	35%	0.347	S	S	.	.	H	α-helix	trans	-84	-26.4	177.7	-71	-171.6	-117.2	0	0	112.7	K1725 Q1912 G1913 E1920	K1725-E1916 IonicContact NZ-OE1 3.63Å; K1725-E1916 IonicContact NZ-OE2 3.1Å; K1725-E1916 PolarHBondContact NZ-OE2 2.9Å; Q1912-E1916 PolarHBondContact NE2-OE1 2.86Å; Q1912-E1916 PolarHBondContact O-N 2.92Å; G1913-E1916 PolarHBondContact O-N 3.45Å; E1916-E1920 HydrophobicContact CB-CB 4.19Å; E1916-E1920 HydrophobicContact CB-CG 4.25Å; E1916-E1920 VanDerWaalsContact CB-OE2 3.28Å; E1916-E1920 WeakPolarHBondContact CB-OE2 3.24Å
1917	G	37.8	Very low	41	Very low	20 Å²	20	67.3 Å²	67.3	21%	0.206	35%	0.354	C	S	.	.			trans	153.5	169.6	167.1	0	0	0	0	0	114.9	G1913 E1919 E1920 F1921	G1913-G1917 CarbonylContact O-C 3.5Å; G1913-G1917 PolarHBondContact O-N 2.9Å; G1917-E1919 PolarHBondContact O-N 2.92Å; G1917-E1919 VanDerWaalsContact O-N 3.14Å; G1917-E1920 CarbonylContact O-C 3.49Å; G1917-E1920 PolarHBondContact O-N 3.33Å; G1917-F1921 PolarHBondContact O-N 2.86Å
1918	P	35.5	Very low	41.2	Very low	98 Å²	98	64.2 Å²	64.2	64%	0.636	34%	0.34	S	S	*	.	H	α-helix	trans	-60.8	-26.3	-178.1	24.3	-34	0	0	0	114.1	A1922	P1918-A1922 PolarHBondContact O-N 2.6Å
1919	E	35.7	Very low	41.4	Very low	99 Å²	99	61.1 Å²	61.1	46%	0.463	33%	0.334	S	S	.	.	H	α-helix	trans	-70	-47.4	171.3	-60.7	-168.4	141.9	0	0	111.8	G1917 F1921 A1922 E1923	G1917-E1919 PolarHBondContact O-N 2.92Å; G1917-E1919 VanDerWaalsContact O-N 3.14Å; E1919-F1921 VanDerWaalsContact C-N 3.28Å; E1919-F1921 PolarHBondContact O-N 2.73Å; E1919-A1922 WeakPolarHBondContact O-CB 3.36Å; E1919-A1922 PolarHBondContact O-N 3.49Å; E1919-A1922 VanDerWaalsContact O-N 3.12Å; E1919-E1923 PolarHBondContact O-N 2.97Å
1920	E	46.6	Very low	41.3	Very low	79 Å²	79	65.1 Å²	65.1	37%	0.369	35%	0.346	S	S	.	.	H	α-helix	trans	-69.5	-24.7	174.4	-65.1	-154.3	-173.7	0	0	111.8	G1913 E1916 G1917 G1924	G1913-E1920 WeakPolarHBondContact CA-O 3.16Å; E1916-E1920 HydrophobicContact CB-CB 4.19Å; E1916-E1920 HydrophobicContact CB-CG 4.25Å; E1916-E1920 VanDerWaalsContact CB-OE2 3.28Å; E1916-E1920 WeakPolarHBondContact CB-OE2 3.24Å; G1917-E1920 CarbonylContact O-C 3.49Å; G1917-E1920 PolarHBondContact O-N 3.33Å; E1920-G1924 WeakPolarHBondContact O-CA 3.46Å; E1920-G1924 PolarHBondContact O-N 3.32Å
1921	F	42	Very low	41.6	Very low	59 Å²	59	65 Å²	65	26%	0.259	35%	0.345	S	S	.	.	H	α-helix	trans	-64.6	-42	167.1	175.8	-104	0	0	0	111.7	P1910 G1913 A1914 G1917 E1919 G1924 L1925	P1910-F1921 HydrophobicContact CB-CD2 4.22Å; P1910-F1921 HydrophobicContact CB-CE2 4.07Å; P1910-F1921 WeakPolarHBondContact O-CD2 3.45Å; G1913-F1921 PolarHBondContact O-N 3.45Å; A1914-F1921 HydrophobicContact CB-CD2 3.91Å; G1917-F1921 PolarHBondContact O-N 2.86Å; E1919-F1921 VanDerWaalsContact C-N 3.28Å; E1919-F1921 PolarHBondContact O-N 2.73Å; F1921-G1924 PolarHBondContact O-N 3.23Å; F1921-L1925 HydrophobicContact CE1-CD2 4.23Å; F1921-L1925 HydrophobicContact CZ-CD2 4.23Å; F1921-L1925 WeakPolarHBondContact O-CB 3.4Å; F1921-L1925 PolarHBondContact O-N 2.9Å
1922	A	37.4	Very low	41.7	Very low	31 Å²	31	63.6 Å²	63.6	26%	0.256	34%	0.339	S	S	.	.	H	α-helix	trans	-66.9	-45.5	176.6	0	0	0	0	0	111.4	P1918 E1919 V1926	P1918-A1922 PolarHBondContact O-N 2.6Å; E1919-A1922 WeakPolarHBondContact O-CB 3.36Å; E1919-A1922 PolarHBondContact O-N 3.49Å; E1919-A1922 VanDerWaalsContact O-N 3.12Å; A1922-V1926 WeakPolarHBondContact O-CB 3.24Å; A1922-V1926 VanDerWaalsContact O-CG2 3.24Å; A1922-V1926 WeakPolarHBondContact O-CG2 3.26Å; A1922-V1926 PolarHBondContact O-N 2.83Å
1923	E	42.3	Very low	41.7	Very low	123 Å²	123	62.8 Å²	62.8	58%	0.575	33%	0.333	S	S	*	.	H	α-helix	trans	-59.8	-47.9	171.3	-70.7	-151.7	123.6	0	0	111	E1919 L1925 V1926 V1927	E1919-E1923 PolarHBondContact O-N 2.97Å; E1923-L1925 PolarHBondContact O-N 2.67Å; E1923-V1926 CarbonylContact O-C 3.55Å; E1923-V1926 WeakPolarHBondContact O-CB 3.37Å; E1923-V1926 PolarHBondContact O-N 3.03Å; E1923-V1927 VanDerWaalsContact O-CG2 3.31Å; E1923-V1927 WeakPolarHBondContact O-CG2 3.17Å; E1923-V1927 PolarHBondContact O-N 3.38Å
1924	G	42.7	Very low	41.5	Very low	3 Å²	3	63.6 Å²	63.6	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-38.7	-178.7	0	0	0	0	0	113.6	E1909 P1910 E1920 F1921 G1928	E1909-G1924 WeakPolarHBondContact CB-O 3.45Å; E1909-G1924 WeakPolarHBondContact O-CA 3.25Å; P1910-G1924 WeakPolarHBondContact CD-O 3.09Å; E1920-G1924 WeakPolarHBondContact O-CA 3.46Å; E1920-G1924 PolarHBondContact O-N 3.32Å; F1921-G1924 PolarHBondContact O-N 3.23Å; G1924-G1928 WeakPolarHBondContact O-CA 3.11Å; G1924-G1928 PolarHBondContact O-N 2.8Å
1925	L	41.2	Very low	41.8	Very low	50 Å²	50	62.9 Å²	62.9	26%	0.262	33%	0.328	S	S	.	.	H	α-helix	trans	-70.8	-36.4	174.3	-172.3	67.3	0	0	0	111.4	L707 P1910 F1921 E1923 G1928 V1929	L707-L1925 HydrophobicContact CD2-CD2 4.24Å; P1910-L1925 HydrophobicContact CB-CB 4.21Å; P1910-L1925 HydrophobicContact CB-CD1 4.27Å; F1921-L1925 HydrophobicContact CE1-CD2 4.23Å; F1921-L1925 HydrophobicContact CZ-CD2 4.23Å; F1921-L1925 WeakPolarHBondContact O-CB 3.4Å; F1921-L1925 PolarHBondContact O-N 2.9Å; E1923-L1925 PolarHBondContact O-N 2.67Å; L1925-G1928 PolarHBondContact O-N 3.43Å; L1925-V1929 HydrophobicContact CD1-CG2 4.44Å; L1925-V1929 WeakPolarHBondContact O-CB 3.29Å; L1925-V1929 WeakPolarHBondContact O-CG2 3.37Å; L1925-V1929 PolarHBondContact O-N 3.07Å
1926	V	39.1	Very low	41.6	Very low	61 Å²	61	57.9 Å²	57.9	37%	0.37	31%	0.306	S	S	.	.	H	α-helix	trans	-65.8	-47.1	172.8	167.6	0	0	0	0	110.9	F658 A1922 E1923 G1928 R1930	F658-V1926 HydrophobicContact CD1-CG2 4.08Å; F658-V1926 HydrophobicContact CE1-CG2 3.44Å; F658-V1926 VanDerWaalsContact CE1-CG2 3.44Å; F658-V1926 HydrophobicContact CZ-CG2 3.89Å; A1922-V1926 WeakPolarHBondContact O-CB 3.24Å; A1922-V1926 VanDerWaalsContact O-CG2 3.24Å; A1922-V1926 WeakPolarHBondContact O-CG2 3.26Å; A1922-V1926 PolarHBondContact O-N 2.83Å; E1923-V1926 CarbonylContact O-C 3.55Å; E1923-V1926 WeakPolarHBondContact O-CB 3.37Å; E1923-V1926 PolarHBondContact O-N 3.03Å; V1926-G1928 VanDerWaalsContact C-N 3.32Å; V1926-R1930 WeakPolarHBondContact O-CB 3.24Å; V1926-R1930 PolarHBondContact O-N 2.87Å
1927	V	47.3	Very low	41.2	Very low	43 Å²	43	58.4 Å²	58.4	26%	0.261	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-43	174.2	175.2	0	0	0	0	110	E1909 E1923 R1930 S1931	E1909-V1927 HydrophobicContact CB-CB 4.29Å; E1909-V1927 HydrophobicContact CB-CG1 4.19Å; E1909-V1927 HydrophobicContact CG-CB 4.37Å; E1909-V1927 HydrophobicContact CG-CG1 3.72Å; E1923-V1927 VanDerWaalsContact O-CG2 3.31Å; E1923-V1927 WeakPolarHBondContact O-CG2 3.17Å; E1923-V1927 PolarHBondContact O-N 3.38Å; V1927-R1930 PolarHBondContact O-N 2.89Å; V1927-S1931 WeakPolarHBondContact O-CB 3.31Å; V1927-S1931 PolarHBondContact O-N 3.01Å
1928	G	42.1	Very low	41.2	Very low	0 Å²	0	58 Å²	58	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-50	179.2	0	0	0	0	0	113.5	Q1905 G1924 L1925 V1926 S1931 L1932	Q1905-G1928 WeakPolarHBondContact O-CA 3.4Å; G1924-G1928 WeakPolarHBondContact O-CA 3.11Å; G1924-G1928 PolarHBondContact O-N 2.8Å; L1925-G1928 PolarHBondContact O-N 3.43Å; V1926-G1928 VanDerWaalsContact C-N 3.32Å; G1928-S1931 PolarHBondContact O-N 2.69Å; G1928-L1932 WeakPolarHBondContact O-CB 3.49Å; G1928-L1932 PolarHBondContact O-N 2.77Å
1929	V	41.2	Very low	41.2	Very low	63 Å²	63	53.6 Å²	53.6	38%	0.382	28%	0.28	S	S	.	.	H	α-helix	trans	-66.7	-40.9	175.8	172.5	0	0	0	0	111	F1906 L1925 S1931 L1932 F1933	F1906-V1929 HydrophobicContact CD2-CG2 4.42Å; F1906-V1929 HydrophobicContact CE2-CG2 4.05Å; L1925-V1929 HydrophobicContact CD1-CG2 4.44Å; L1925-V1929 WeakPolarHBondContact O-CB 3.29Å; L1925-V1929 WeakPolarHBondContact O-CG2 3.37Å; L1925-V1929 PolarHBondContact O-N 3.07Å; V1929-S1931 VanDerWaalsContact C-N 3.29Å; V1929-S1931 PolarHBondContact O-N 3.25Å; V1929-L1932 PolarHBondContact O-N 2.76Å; V1929-F1933 HydrophobicContact CG1-CD2 3.99Å; V1929-F1933 HydrophobicContact CG1-CE2 4.24Å; V1929-F1933 WeakPolarHBondContact O-CD2 3.18Å; V1929-F1933 PolarHBondContact O-N 2.98Å
1930	R	43.5	Very low	40.9	Very low	156 Å²	156	52.6 Å²	52.6	59%	0.589	28%	0.281	S	S	*	.	H	α-helix	trans	-62	-37	174.6	-176.2	-177.3	-169.9	179	5.4	111.9	V1926 V1927 G1934	V1926-R1930 WeakPolarHBondContact O-CB 3.24Å; V1926-R1930 PolarHBondContact O-N 2.87Å; V1927-R1930 PolarHBondContact O-N 2.89Å; R1930-G1934 VanDerWaalsContact O-CA 3.24Å; R1930-G1934 WeakPolarHBondContact O-CA 3.16Å; R1930-G1934 PolarHBondContact O-N 2.79Å
1931	S	48.2	Very low	40.2	Very low	6 Å²	6	49.9 Å²	49.9	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-74.3	-44.3	177.2	-164.3	0	0	0	0	110.8	T1901 G1902 Q1905 V1927 G1928 V1929 F1933 G1934 H1935	T1901-S1931 PolarHBondContact O-OG 2.91Å; G1902-S1931 WeakPolarHBondContact CA-OG 3.49Å; Q1905-S1931 PolarHBondContact OE1-OG 3.37Å; V1927-S1931 WeakPolarHBondContact O-CB 3.31Å; V1927-S1931 PolarHBondContact O-N 3.01Å; G1928-S1931 PolarHBondContact O-N 2.69Å; V1929-S1931 VanDerWaalsContact C-N 3.29Å; V1929-S1931 PolarHBondContact O-N 3.25Å; S1931-F1933 PolarHBondContact O-N 2.84Å; S1931-G1934 PolarHBondContact O-N 3.19Å; S1931-H1935 VanDerWaalsContact O-CB 3.26Å; S1931-H1935 WeakPolarHBondContact O-CB 3.24Å; S1931-H1935 PolarHBondContact O-CD2 3.2Å; S1931-H1935 VanDerWaalsContact O-CD2 3.32Å; S1931-H1935 PolarHBondContact O-N 2.68Å; S1931-H1935 PolarHBondContact OG-CD2 3.39Å; S1931-H1935 VanDerWaalsContact OG-CD2 3.26Å
1932	L	44.1	Very low	40	Very low	42 Å²	42	47.1 Å²	47.1	22%	0.22	26%	0.259	C	S	.	.	I	π-helix	trans	-57.3	-50.4	175.2	-165.3	73.6	0	0	0	111.7	G1902 V1903 F1906 G1928 V1929 A1936	G1902-L1932 PolarHBondContact O-N 3.08Å; V1903-L1932 HydrophobicContact CG2-CD1 4.14Å; F1906-L1932 HydrophobicContact CB-CB 4.1Å; F1906-L1932 HydrophobicContact CB-CD1 4.04Å; F1906-L1932 HydrophobicContact CD2-CB 3.87Å; F1906-L1932 HydrophobicContact CD2-CD2 3.75Å; F1906-L1932 HydrophobicContact CD2-CG 4.26Å; F1906-L1932 HydrophobicContact CE2-CD2 3.98Å; F1906-L1932 HydrophobicContact CG-CB 4.19Å; F1906-L1932 HydrophobicContact CG-CD1 4.14Å; F1906-L1932 HydrophobicContact CG-CD2 4.07Å; F1906-L1932 HydrophobicContact CG-CG 4.36Å; F1906-L1932 HydrophobicContact CZ-CD2 4.49Å; G1928-L1932 WeakPolarHBondContact O-CB 3.49Å; G1928-L1932 PolarHBondContact O-N 2.77Å; V1929-L1932 PolarHBondContact O-N 2.76Å; L1932-A1936 WeakPolarHBondContact O-CA 3.45Å; L1932-A1936 WeakPolarHBondContact O-CB 3.33Å; L1932-A1936 PolarHBondContact O-N 2.94Å
1933	F	42.3	Very low	39.9	Very low	94 Å²	94	46.7 Å²	46.7	41%	0.412	26%	0.256	S	S	.	.	I	π-helix	trans	-72.8	-41.1	178.1	-81.3	-104.8	0	0	0	112	V1929 S1931 H1935 L1937 G1938	V1929-F1933 HydrophobicContact CG1-CD2 3.99Å; V1929-F1933 HydrophobicContact CG1-CE2 4.24Å; V1929-F1933 WeakPolarHBondContact O-CD2 3.18Å; V1929-F1933 PolarHBondContact O-N 2.98Å; S1931-F1933 PolarHBondContact O-N 2.84Å; F1933-H1935 VanDerWaalsContact C-N 3.3Å; F1933-H1935 PolarHBondContact O-N 3.16Å; F1933-L1937 HydrophobicContact CD1-CD1 3.66Å; F1933-L1937 HydrophobicContact CE1-CD1 3.94Å; F1933-L1937 WeakPolarHBondContact O-CB 3.12Å; F1933-L1937 PolarHBondContact O-N 3.22Å; F1933-G1938 PolarHBondContact O-N 2.95Å
1934	G	41.9	Very low	39.5	Very low	21 Å²	21	44.4 Å²	44.4	22%	0.216	25%	0.25	C	S	.	.	I	π-helix	trans	-64	-30.3	179.6	0	0	0	0	0	113.9	R1930 S1931 G1938	R1930-G1934 VanDerWaalsContact O-CA 3.24Å; R1930-G1934 WeakPolarHBondContact O-CA 3.16Å; R1930-G1934 PolarHBondContact O-N 2.79Å; S1931-G1934 PolarHBondContact O-N 3.19Å; G1934-G1938 VanDerWaalsContact O-CA 3.27Å; G1934-G1938 WeakPolarHBondContact O-CA 3.38Å
1935	H	46.7	Very low	39.2	Very low	49 Å²	49	45 Å²	45	23%	0.227	25%	0.254	C	S	.	.	I	π-helix	trans	-108.3	-34.7	-179.6	-69	-100.2	0	0	0	114.4	D1898 S1931 F1933 G1939	D1898-H1935 WeakPolarHBondContact CA-ND1 3.37Å; D1898-H1935 HydrophobicContact CB-CB 4.1Å; D1898-H1935 VanDerWaalsContact CB-ND1 3.32Å; D1898-H1935 WeakPolarHBondContact CB-ND1 3.39Å; D1898-H1935 WeakPolarHBondContact O-CB 3.26Å; D1898-H1935 IonicContact OD1-CE1 2.69Å; D1898-H1935 IonicContact OD1-ND1 3.98Å; S1931-H1935 VanDerWaalsContact O-CB 3.26Å; S1931-H1935 WeakPolarHBondContact O-CB 3.24Å; S1931-H1935 PolarHBondContact O-CD2 3.2Å; S1931-H1935 VanDerWaalsContact O-CD2 3.32Å; S1931-H1935 PolarHBondContact O-N 2.68Å; S1931-H1935 PolarHBondContact OG-CD2 3.39Å; S1931-H1935 VanDerWaalsContact OG-CD2 3.26Å; F1933-H1935 VanDerWaalsContact C-N 3.3Å; F1933-H1935 PolarHBondContact O-N 3.16Å; H1935-G1939 WeakPolarHBondContact O-CA 3.15Å; H1935-G1939 PolarHBondContact O-N 3.04Å
1936	A	36.2	Very low	39.3	Very low	29 Å²	29	44.3 Å²	44.3	24%	0.24	25%	0.248	C	C	.	.	I	π-helix	trans	-77.2	-51.7	177.4	0	0	0	0	0	111.6	L1899 L1932 T1940	L1899-A1936 HydrophobicContact CD1-CB 4.1Å; L1932-A1936 WeakPolarHBondContact O-CA 3.45Å; L1932-A1936 WeakPolarHBondContact O-CB 3.33Å; L1932-A1936 PolarHBondContact O-N 2.94Å; A1936-T1940 WeakPolarHBondContact O-CB 3.17Å; A1936-T1940 WeakPolarHBondContact O-CG2 3.43Å; A1936-T1940 PolarHBondContact O-N 3.4Å; A1936-T1940 PolarHBondContact O-OG1 2.81Å
1937	L	31.9	Very low	39.3	Very low	101 Å²	101	46 Å²	46	53%	0.529	25%	0.254	S	S	.	.	I	π-helix	trans	-76.1	-37.1	172.8	-86.1	163.4	0	0	0	111.4	F1933 G1939 T1940 A1941	F1933-L1937 HydrophobicContact CD1-CD1 3.66Å; F1933-L1937 HydrophobicContact CE1-CD1 3.94Å; F1933-L1937 WeakPolarHBondContact O-CB 3.12Å; F1933-L1937 PolarHBondContact O-N 3.22Å; L1937-G1939 VanDerWaalsContact C-N 3.31Å; L1937-G1939 PolarHBondContact O-N 3.4Å; L1937-T1940 PolarHBondContact O-OG1 3.11Å; L1937-A1941 WeakPolarHBondContact O-CB 3.39Å; L1937-A1941 PolarHBondContact O-N 3.07Å
1938	G	38.1	Very low	38.8	Very low	10 Å²	10	45.3 Å²	45.3	10%	0.103	25%	0.25	C	C	.	.	H	α-helix	trans	-67.1	-28.3	172.6	0	0	0	0	0	114.2	F1933 G1934 G1942 K2048	F1933-G1938 PolarHBondContact O-N 2.95Å; G1934-G1938 VanDerWaalsContact O-CA 3.27Å; G1934-G1938 WeakPolarHBondContact O-CA 3.38Å; G1938-G1942 VanDerWaalsContact O-CA 3.22Å; G1938-G1942 WeakPolarHBondContact O-CA 3.25Å; G1938-G1942 PolarHBondContact O-N 3.32Å; G1938-K2048 PolarHBondContact O-NZ 2.74Å
1939	G	34.8	Very low	38.7	Very low	7 Å²	7	46.2 Å²	46.2	7%	0.072	26%	0.26	C	S	.	.	H	α-helix	trans	-80.3	-48.6	176.2	0	0	0	0	0	112.7	H1935 L1937 G1942 A1943	H1935-G1939 WeakPolarHBondContact O-CA 3.15Å; H1935-G1939 PolarHBondContact O-N 3.04Å; L1937-G1939 VanDerWaalsContact C-N 3.31Å; L1937-G1939 PolarHBondContact O-N 3.4Å; G1939-G1942 CarbonylContact O-C 3.57Å; G1939-G1942 WeakPolarHBondContact O-CA 3.36Å; G1939-G1942 PolarHBondContact O-N 3.07Å; G1939-G1942 VanDerWaalsContact O-N 3.17Å; G1939-A1943 PolarHBondContact O-N 2.78Å
1940	T	29.8	Very low	38.6	Very low	78 Å²	78	44.7 Å²	44.7	48%	0.479	25%	0.25	S	S	.	.	H	α-helix	trans	-65.3	-51.9	176.1	50.9	0	0	0	0	111.9	A1936 L1937 G1942 A1943 V1944	A1936-T1940 WeakPolarHBondContact O-CB 3.17Å; A1936-T1940 WeakPolarHBondContact O-CG2 3.43Å; A1936-T1940 PolarHBondContact O-N 3.4Å; A1936-T1940 PolarHBondContact O-OG1 2.81Å; L1937-T1940 PolarHBondContact O-OG1 3.11Å; T1940-G1942 PolarHBondContact O-N 3.5Å; T1940-A1943 PolarHBondContact O-N 3.08Å; T1940-V1944 WeakPolarHBondContact O-CG2 3.38Å; T1940-V1944 PolarHBondContact O-N 3.08Å
1941	A	32.3	Very low	38.3	Very low	21 Å²	21	41.8 Å²	41.8	17%	0.174	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-21.6	172.1	0	0	0	0	0	112.1	L1937 S1945	L1937-A1941 WeakPolarHBondContact O-CB 3.39Å; L1937-A1941 PolarHBondContact O-N 3.07Å; A1941-S1945 WeakPolarHBondContact O-CB 3.48Å; A1941-S1945 PolarHBondContact O-N 3.37Å; A1941-S1945 PolarHBondContact O-OG 3.28Å
1942	G	36.4	Very low	38	Very low	1 Å²	1	41.6 Å²	41.6	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-71.4	-45.4	172.2	0	0	0	0	0	113.3	G1938 G1939 T1940 R1946	G1938-G1942 VanDerWaalsContact O-CA 3.22Å; G1938-G1942 WeakPolarHBondContact O-CA 3.25Å; G1938-G1942 PolarHBondContact O-N 3.32Å; G1939-G1942 CarbonylContact O-C 3.57Å; G1939-G1942 WeakPolarHBondContact O-CA 3.36Å; G1939-G1942 PolarHBondContact O-N 3.07Å; G1939-G1942 VanDerWaalsContact O-N 3.17Å; T1940-G1942 PolarHBondContact O-N 3.5Å; G1942-R1946 WeakPolarHBondContact O-CB 3.12Å; G1942-R1946 VanDerWaalsContact O-CD 3.28Å; G1942-R1946 WeakPolarHBondContact O-CD 3.5Å; G1942-R1946 WeakPolarHBondContact O-CG 3.28Å; G1942-R1946 PolarHBondContact O-N 3.31Å
1943	A	36.4	Very low	38.1	Very low	23 Å²	23	42.7 Å²	42.7	19%	0.19	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-48	172.8	0	0	0	0	0	110.3	G1939 T1940 S1945 R1946 I1947	G1939-A1943 PolarHBondContact O-N 2.78Å; T1940-A1943 PolarHBondContact O-N 3.08Å; A1943-S1945 PolarHBondContact O-N 3.31Å; A1943-R1946 PolarHBondContact O-N 2.7Å; A1943-I1947 WeakPolarHBondContact O-CB 3.23Å; A1943-I1947 WeakPolarHBondContact O-CD1 3.19Å; A1943-I1947 VanDerWaalsContact O-CG1 3.26Å; A1943-I1947 WeakPolarHBondContact O-CG1 3.25Å; A1943-I1947 PolarHBondContact O-N 3.1Å
1944	V	33.9	Very low	38	Very low	74 Å²	74	39 Å²	39	45%	0.448	24%	0.237	S	C	.	.	H	α-helix	trans	-66.2	-38.1	-180	176.3	0	0	0	0	112.2	T1940 I1947 T1948	T1940-V1944 WeakPolarHBondContact O-CG2 3.38Å; T1940-V1944 PolarHBondContact O-N 3.08Å; V1944-I1947 PolarHBondContact O-N 2.98Å; V1944-T1948 HydrophobicContact CG1-CG2 4.26Å; V1944-T1948 WeakPolarHBondContact O-CB 3.2Å; V1944-T1948 WeakPolarHBondContact O-CG2 3.36Å; V1944-T1948 PolarHBondContact O-N 2.82Å; V1944-T1948 PolarHBondContact O-OG1 3.1Å
1945	S	36.5	Very low	38.1	Very low	15 Å²	15	39.4 Å²	39.4	11%	0.105	23%	0.234	C	C	.	.	H	α-helix	trans	-71.8	-30.2	174.8	85.2	0	0	0	0	112.9	A1941 A1943 T1948 G1949	A1941-S1945 WeakPolarHBondContact O-CB 3.48Å; A1941-S1945 PolarHBondContact O-N 3.37Å; A1941-S1945 PolarHBondContact O-OG 3.28Å; A1943-S1945 PolarHBondContact O-N 3.31Å; S1945-T1948 WeakPolarHBondContact CA-OG1 3.31Å; S1945-G1949 WeakPolarHBondContact O-CA 3.32Å; S1945-G1949 PolarHBondContact O-N 3.44Å
1946	R	42.2	Very low	38	Very low	36 Å²	36	38 Å²	38	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-68.7	-43.7	171.5	-71.8	165.7	-171.5	156	7	111.1	A585 G1890 G1942 A1943 T1950	A585-R1946 HydrophobicContact CB-CG 4.43Å; G1890-R1946 PolarHBondContact O-NH1 2.95Å; G1942-R1946 WeakPolarHBondContact O-CB 3.12Å; G1942-R1946 VanDerWaalsContact O-CD 3.28Å; G1942-R1946 WeakPolarHBondContact O-CD 3.5Å; G1942-R1946 WeakPolarHBondContact O-CG 3.28Å; G1942-R1946 PolarHBondContact O-N 3.31Å; A1943-R1946 PolarHBondContact O-N 2.7Å; R1946-T1950 WeakPolarHBondContact O-CG2 3.43Å; R1946-T1950 PolarHBondContact O-N 2.96Å; R1946-T1950 VanDerWaalsContact O-N 3.12Å; R1946-T1950 PolarHBondContact O-OG1 3.08Å
1947	I	39.3	Very low	38.3	Very low	96 Å²	96	39.5 Å²	39.5	49%	0.492	24%	0.243	S	C	.	.	H	α-helix	trans	-69.5	-46.8	178.8	-67.4	163.5	0	0	0	111.7	A1943 V1944 G1949 T1950 L1951	A1943-I1947 WeakPolarHBondContact O-CB 3.23Å; A1943-I1947 WeakPolarHBondContact O-CD1 3.19Å; A1943-I1947 VanDerWaalsContact O-CG1 3.26Å; A1943-I1947 WeakPolarHBondContact O-CG1 3.25Å; A1943-I1947 PolarHBondContact O-N 3.1Å; V1944-I1947 PolarHBondContact O-N 2.98Å; I1947-G1949 VanDerWaalsContact C-N 3.32Å; I1947-G1949 PolarHBondContact O-N 3.41Å; I1947-T1950 PolarHBondContact O-N 3.1Å; I1947-T1950 PolarHBondContact O-OG1 2.75Å; I1947-L1951 WeakPolarHBondContact O-CB 3.44Å; I1947-L1951 PolarHBondContact O-N 3.27Å
1948	T	37.9	Very low	38.7	Very low	29 Å²	29	38.6 Å²	38.6	18%	0.178	24%	0.238	C	C	.	.	H	α-helix	trans	-68.1	-32.7	175.3	52.7	0	0	0	0	112.1	V1944 S1945 T1950 G1952 V2037	V1944-T1948 HydrophobicContact CG1-CG2 4.26Å; V1944-T1948 WeakPolarHBondContact O-CB 3.2Å; V1944-T1948 WeakPolarHBondContact O-CG2 3.36Å; V1944-T1948 PolarHBondContact O-N 2.82Å; V1944-T1948 PolarHBondContact O-OG1 3.1Å; S1945-T1948 WeakPolarHBondContact CA-OG1 3.31Å; T1948-T1950 VanDerWaalsContact C-N 3.3Å; T1948-T1950 PolarHBondContact O-N 2.86Å; T1948-G1952 WeakPolarHBondContact O-CA 3.5Å; T1948-G1952 PolarHBondContact O-N 3.2Å; T1948-V2037 WeakPolarHBondContact O-CG1 3.45Å
1949	G	39.4	Very low	39	Very low	20 Å²	20	38.1 Å²	38.1	21%	0.206	23%	0.233	C	C	.	.	H	α-helix	trans	-71.3	-16.4	174.3	0	0	0	0	0	115.2	S1945 I1947 K1953	S1945-G1949 WeakPolarHBondContact O-CA 3.32Å; S1945-G1949 PolarHBondContact O-N 3.44Å; I1947-G1949 VanDerWaalsContact C-N 3.32Å; I1947-G1949 PolarHBondContact O-N 3.41Å; G1949-K1953 WeakPolarHBondContact O-CD 3.29Å; G1949-K1953 VanDerWaalsContact O-CE 3.31Å; G1949-K1953 WeakPolarHBondContact O-CE 3.43Å; G1949-K1953 WeakPolarHBondContact O-CG 3.11Å
1950	T	38.4	Very low	39.5	Very low	31 Å²	31	40.7 Å²	40.7	19%	0.19	24%	0.244	C	C	.	.	H	α-helix	trans	-94.6	-43	170.2	53.3	0	0	0	0	111.4	L581 R1946 I1947 T1948 G1952 K1953 G1954	L581-T1950 HydrophobicContact CB-CG2 3.72Å; L581-T1950 HydrophobicContact CD2-CG2 4.14Å; L581-T1950 HydrophobicContact CG-CG2 4.35Å; L581-T1950 WeakPolarHBondContact O-CG2 3.36Å; R1946-T1950 WeakPolarHBondContact O-CG2 3.43Å; R1946-T1950 PolarHBondContact O-N 2.96Å; R1946-T1950 VanDerWaalsContact O-N 3.12Å; R1946-T1950 PolarHBondContact O-OG1 3.08Å; I1947-T1950 PolarHBondContact O-N 3.1Å; I1947-T1950 PolarHBondContact O-OG1 2.75Å; T1948-T1950 VanDerWaalsContact C-N 3.3Å; T1948-T1950 PolarHBondContact O-N 2.86Å; T1950-G1952 VanDerWaalsContact C-N 3.27Å; T1950-G1952 PolarHBondContact O-N 2.99Å; T1950-K1953 WeakPolarHBondContact O-CB 3.19Å; T1950-K1953 PolarHBondContact O-N 2.96Å; T1950-G1954 PolarHBondContact O-N 2.81Å; T1950-G1954 VanDerWaalsContact O-N 3.15Å
1951	L	38.2	Very low	40.7	Very low	95 Å²	95	37.4 Å²	37.4	50%	0.497	22%	0.224	S	C	.	.	H	α-helix	trans	-56	-43.3	171.4	-159.9	78.7	0	0	0	111.3	I1947 K1953 G1954 I1955	I1947-L1951 WeakPolarHBondContact O-CB 3.44Å; I1947-L1951 PolarHBondContact O-N 3.27Å; L1951-K1953 PolarHBondContact O-N 3.3Å; L1951-G1954 PolarHBondContact O-N 2.97Å; L1951-G1954 VanDerWaalsContact O-N 3.16Å; L1951-I1955 HydrophobicContact CD2-CD1 4.13Å; L1951-I1955 HydrophobicContact CG-CD1 3.93Å; L1951-I1955 WeakPolarHBondContact O-CG1 3.36Å; L1951-I1955 PolarHBondContact O-N 3.41Å
1952	G	41	Very low	41.5	Very low	2 Å²	2	39.9 Å²	39.9	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-23.9	177.3	0	0	0	0	0	114.5	T1948 T1950 A1956 R1968	T1948-G1952 WeakPolarHBondContact O-CA 3.5Å; T1948-G1952 PolarHBondContact O-N 3.2Å; T1950-G1952 VanDerWaalsContact C-N 3.27Å; T1950-G1952 PolarHBondContact O-N 2.99Å; G1952-A1956 WeakPolarHBondContact O-CB 3.27Å; G1952-A1956 PolarHBondContact O-N 2.86Å; G1952-A1956 VanDerWaalsContact O-N 3.09Å; G1952-R1968 PolarHBondContact O-NH1 2.78Å; G1952-R1968 PolarHBondContact O-NH2 2.86Å
1953	K	45.9	Very low	42.3	Very low	64 Å²	64	42.5 Å²	42.5	28%	0.278	26%	0.258	S	S	.	.	H	α-helix	trans	-80.3	-40.8	172.1	-67.2	167.9	-171.2	168.1	0	111.5	L581 A584 G1949 T1950 L1951 A1956 A1957	L581-K1953 HydrophobicContact CD2-CB 4.37Å; L581-K1953 HydrophobicContact CD2-CD 4.1Å; L581-K1953 PolarHBondContact O-NZ 2.85Å; A584-K1953 PolarHBondContact O-NZ 2.74Å; G1949-K1953 WeakPolarHBondContact O-CD 3.29Å; G1949-K1953 VanDerWaalsContact O-CE 3.31Å; G1949-K1953 WeakPolarHBondContact O-CE 3.43Å; G1949-K1953 WeakPolarHBondContact O-CG 3.11Å; T1950-K1953 WeakPolarHBondContact O-CB 3.19Å; T1950-K1953 PolarHBondContact O-N 2.96Å; L1951-K1953 PolarHBondContact O-N 3.3Å; K1953-A1956 WeakPolarHBondContact O-CB 3.44Å; K1953-A1956 PolarHBondContact O-N 2.86Å; K1953-A1957 PolarHBondContact O-N 3.12Å
1954	G	40.5	Very low	43.1	Very low	18 Å²	18	42.1 Å²	42.1	19%	0.186	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-47.2	172.3	0	0	0	0	0	111.7	T1950 L1951 A1956 A1957	T1950-G1954 PolarHBondContact O-N 2.81Å; T1950-G1954 VanDerWaalsContact O-N 3.15Å; L1951-G1954 PolarHBondContact O-N 2.97Å; L1951-G1954 VanDerWaalsContact O-N 3.16Å; G1954-A1956 VanDerWaalsContact C-N 3.26Å; G1954-A1956 PolarHBondContact O-N 3.18Å; G1954-A1957 WeakPolarHBondContact O-CB 3.45Å; G1954-A1957 PolarHBondContact O-N 2.95Å
1955	I	43.9	Very low	43.9	Very low	29 Å²	29	42 Å²	42	15%	0.149	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-26.8	175.8	-63	168.3	0	0	0	111.5	L1951 A1957 L1958 V2033	L1951-I1955 HydrophobicContact CD2-CD1 4.13Å; L1951-I1955 HydrophobicContact CG-CD1 3.93Å; L1951-I1955 WeakPolarHBondContact O-CG1 3.36Å; L1951-I1955 PolarHBondContact O-N 3.41Å; I1955-A1957 PolarHBondContact O-N 2.82Å; I1955-L1958 PolarHBondContact O-N 2.89Å; I1955-V2033 HydrophobicContact CD1-CG1 3.98Å; I1955-V2033 HydrophobicContact CG2-CG1 4.25Å
1956	A	44.5	Very low	44.9	Very low	19 Å²	19	46.1 Å²	46.1	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-45.3	171.4	0	0	0	0	0	112.3	G1952 K1953 G1954 L1958 T1959 Q1965 R1968	G1952-A1956 WeakPolarHBondContact O-CB 3.27Å; G1952-A1956 PolarHBondContact O-N 2.86Å; G1952-A1956 VanDerWaalsContact O-N 3.09Å; K1953-A1956 WeakPolarHBondContact O-CB 3.44Å; K1953-A1956 PolarHBondContact O-N 2.86Å; G1954-A1956 VanDerWaalsContact C-N 3.26Å; G1954-A1956 PolarHBondContact O-N 3.18Å; A1956-L1958 VanDerWaalsContact C-N 3.26Å; A1956-L1958 PolarHBondContact O-N 2.99Å; A1956-T1959 WeakPolarHBondContact O-CB 3.3Å; A1956-T1959 WeakPolarHBondContact O-CG2 3.39Å; A1956-T1959 PolarHBondContact O-N 2.78Å; A1956-T1959 VanDerWaalsContact O-N 3.12Å; A1956-T1959 PolarHBondContact O-OG1 2.82Å; A1956-Q1965 PolarHBondContact O-NE2 2.99Å; A1956-R1968 VanDerWaalsContact CA-NH1 3.32Å
1957	A	43.8	Very low	45.5	Very low	61 Å²	61	51 Å²	51	50%	0.504	28%	0.281	S	S	.	.	H	α-helix	trans	-61.5	-37.5	-178.8	0	0	0	0	0	111.5	K1953 G1954 I1955 T1959 Q1965	K1953-A1957 PolarHBondContact O-N 3.12Å; G1954-A1957 WeakPolarHBondContact O-CB 3.45Å; G1954-A1957 PolarHBondContact O-N 2.95Å; I1955-A1957 PolarHBondContact O-N 2.82Å; A1957-T1959 PolarHBondContact O-N 2.86Å; A1957-T1959 VanDerWaalsContact O-N 3.16Å; A1957-Q1965 PolarHBondContact O-NE2 2.89Å
1958	L	38.8	Very low	45.8	Very low	81 Å²	81	47.2 Å²	47.2	42%	0.424	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.8	177.6	-60.2	177.2	0	0	0	114.3	I1955 A1956 M1960 I2026 T2030	I1955-L1958 PolarHBondContact O-N 2.89Å; A1956-L1958 VanDerWaalsContact C-N 3.26Å; A1956-L1958 PolarHBondContact O-N 2.99Å; L1958-M1960 VanDerWaalsContact C-N 3.27Å; L1958-M1960 PolarHBondContact O-N 3.32Å; L1958-I2026 VanDerWaalsContact O-CG2 3.23Å; L1958-I2026 WeakPolarHBondContact O-CG2 3.28Å; L1958-T2030 HydrophobicContact CB-CG2 3.94Å
1959	T	46.1	Very low	46.2	Very low	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-15.9	-176.9	61.1	0	0	0	0	115.1	A1956 A1957 D1961 Y1964 Q1965 T2030	A1956-T1959 WeakPolarHBondContact O-CB 3.3Å; A1956-T1959 WeakPolarHBondContact O-CG2 3.39Å; A1956-T1959 PolarHBondContact O-N 2.78Å; A1956-T1959 VanDerWaalsContact O-N 3.12Å; A1956-T1959 PolarHBondContact O-OG1 2.82Å; A1957-T1959 PolarHBondContact O-N 2.86Å; A1957-T1959 VanDerWaalsContact O-N 3.16Å; T1959-D1961 PolarHBondContact O-N 3.35Å; T1959-Y1964 HydrophobicContact CG2-CD1 3.88Å; T1959-Y1964 HydrophobicContact CG2-CE1 3.78Å; T1959-Q1965 WeakPolarHBondContact OG1-CG 3.29Å; T1959-T2030 WeakPolarHBondContact CA-OG1 3.14Å; T1959-T2030 WeakPolarHBondContact CG2-OG1 3.47Å
1960	M	43.7	Very low	46.7	Very low	62 Å²	62	54.8 Å²	54.8	31%	0.305	29%	0.288	S	S	.	.			trans	48.8	25.7	176.4	-53.5	-175.6	177.4	0	0	115.4	L53 L1958 I2026	L53-M1960 HydrophobicContact CD1-CE 3.9Å; L53-M1960 HydrophobicContact CD1-SD 3.68Å; L53-M1960 HydrophobicContact CD2-CE 3.9Å; L53-M1960 HydrophobicContact CD2-CG 3.92Å; L53-M1960 HydrophobicContact CD2-SD 3.85Å; L53-M1960 HydrophobicContact CG-SD 4.34Å; L1958-M1960 VanDerWaalsContact C-N 3.27Å; L1958-M1960 PolarHBondContact O-N 3.32Å; M1960-I2026 HydrophobicContact CB-CD1 4.27Å; M1960-I2026 HydrophobicContact CB-CG2 4.12Å; M1960-I2026 HydrophobicContact CG-CD1 4.4Å; M1960-I2026 HydrophobicContact CG-CG2 4.12Å; M1960-I2026 HydrophobicContact SD-CD1 3.57Å; M1960-I2026 VanDerWaalsContact SD-CD1 3.57Å; M1960-I2026 HydrophobicContact SD-CG1 4.35Å; M1960-I2026 HydrophobicContact SD-CG2 4.36Å
1961	D	54.7	Low	47.2	Very low	9 Å²	9	56.4 Å²	56.4	5%	0.048	29%	0.294	C	S	.	.			trans	-129.9	100.6	179.2	-178	-20.5	0	0	0	108.3	T1959 D1963 Y1964 Q1965 K2004 R2031	T1959-D1961 PolarHBondContact O-N 3.35Å; D1961-D1963 PolarHBondContact O-N 3.08Å; D1961-D1963 WeakPolarHBondContact OD1-CA 3.48Å; D1961-D1963 WeakPolarHBondContact OD1-CB 3.3Å; D1961-D1963 PolarHBondContact OD1-N 3.04Å; D1961-Y1964 PolarHBondContact O-N 3.48Å; D1961-Y1964 VanDerWaalsContact O-N 3.12Å; D1961-Y1964 PolarHBondContact OD1-N 3.41Å; D1961-Q1965 WeakPolarHBondContact O-CG 3.35Å; D1961-Q1965 PolarHBondContact O-N 3.02Å; D1961-K2004 IonicContact OD2-NZ 3.35Å; D1961-R2031 IonicContact OD2-CZ 2.73Å; D1961-R2031 IonicContact OD2-NH2 3.3Å; D1961-R2031 PolarHBondContact OD2-NH2 3.25Å
1962	A	49.9	Very low	47.4	Very low	73 Å²	73	56.1 Å²	56.1	60%	0.603	29%	0.292	S	S	*	.	H	α-helix	trans	-61.7	-27.2	179.7	0	0	0	0	0	112.8	K1966	A1962-K1966 WeakPolarHBondContact O-CB 3.28Å; A1962-K1966 PolarHBondContact O-N 3.05Å
1963	D	53.4	Low	47.4	Very low	55 Å²	55	61.7 Å²	61.7	29%	0.294	32%	0.321	S	S	.	.	H	α-helix	trans	-77.9	-35.2	174.8	-67.8	-27.3	0	0	0	110.9	R120 D1961 R1967	R120-D1963 IonicContact CZ-OD1 3.89Å; R120-D1963 IonicContact CZ-OD2 2.96Å; R120-D1963 IonicContact NH1-OD1 3.19Å; R120-D1963 IonicContact NH2-OD1 3.85Å; R120-D1963 PolarHBondContact NH2-OD1 2.69Å; R120-D1963 IonicContact NH2-OD2 2.92Å; R120-D1963 PolarHBondContact NH2-OD2 3.12Å; D1961-D1963 PolarHBondContact O-N 3.08Å; D1961-D1963 WeakPolarHBondContact OD1-CA 3.48Å; D1961-D1963 WeakPolarHBondContact OD1-CB 3.3Å; D1961-D1963 PolarHBondContact OD1-N 3.04Å; D1963-R1967 VanDerWaalsContact O-CB 3.23Å; D1963-R1967 WeakPolarHBondContact O-CB 3.34Å; D1963-R1967 WeakPolarHBondContact O-CD 3.49Å; D1963-R1967 WeakPolarHBondContact O-CG 3.33Å; D1963-R1967 PolarHBondContact O-N 3.34Å
1964	Y	54	Low	47.3	Very low	16 Å²	16	64.1 Å²	64.1	6%	0.063	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-48.3	169.7	-176.6	-97	0	0	0	111.3	T1959 D1961 K1966 R1967 R1968 R2031 S2034	T1959-Y1964 HydrophobicContact CG2-CD1 3.88Å; T1959-Y1964 HydrophobicContact CG2-CE1 3.78Å; D1961-Y1964 PolarHBondContact O-N 3.48Å; D1961-Y1964 VanDerWaalsContact O-N 3.12Å; D1961-Y1964 PolarHBondContact OD1-N 3.41Å; Y1964-K1966 PolarHBondContact O-N 3.27Å; Y1964-R1967 PolarHBondContact O-N 3.32Å; Y1964-R1968 VanDerWaalsContact O-CB 3.26Å; Y1964-R1968 WeakPolarHBondContact O-CB 3.43Å; Y1964-R1968 PolarHBondContact O-N 3.24Å; Y1964-R2031 HydrophobicContact CD1-CG 4.42Å; Y1964-R2031 HydrophobicContact CD2-CG 4.16Å; Y1964-R2031 HydrophobicContact CE1-CG 4.11Å; Y1964-R2031 HydrophobicContact CE2-CB 4.24Å; Y1964-R2031 HydrophobicContact CE2-CG 3.82Å; Y1964-R2031 HydrophobicContact CG-CG 4.45Å; Y1964-S2034 PolarHBondContact OH-OG 2.74Å
1965	Q	50.7	Low	47.3	Very low	70 Å²	70	71 Å²	71	33%	0.327	35%	0.352	S	S	.	.	H	α-helix	trans	-60.2	-45.1	176.2	-69.9	-179.2	9.5	0	0	111.3	A1956 A1957 T1959 D1961 R1968 Q1969	A1956-Q1965 PolarHBondContact O-NE2 2.99Å; A1957-Q1965 PolarHBondContact O-NE2 2.89Å; T1959-Q1965 WeakPolarHBondContact OG1-CG 3.29Å; D1961-Q1965 WeakPolarHBondContact O-CG 3.35Å; D1961-Q1965 PolarHBondContact O-N 3.02Å; Q1965-R1968 PolarHBondContact O-N 2.78Å; Q1965-Q1969 WeakPolarHBondContact O-CB 3.39Å; Q1965-Q1969 PolarHBondContact O-N 3.12Å
1966	K	55.7	Low	47	Very low	103 Å²	103	71.5 Å²	71.5	45%	0.448	36%	0.357	S	S	.	.	H	α-helix	trans	-64.6	-43.1	176.2	-175.8	176.1	178.8	-179.8	0	112.2	A1962 Y1964 Q1969 E1970	A1962-K1966 WeakPolarHBondContact O-CB 3.28Å; A1962-K1966 PolarHBondContact O-N 3.05Å; Y1964-K1966 PolarHBondContact O-N 3.27Å; K1966-Q1969 PolarHBondContact O-N 2.88Å; K1966-E1970 VanDerWaalsContact O-CB 3.28Å; K1966-E1970 WeakPolarHBondContact O-CB 3.45Å; K1966-E1970 WeakPolarHBondContact O-CG 3.36Å; K1966-E1970 PolarHBondContact O-N 2.81Å
1967	R	55.6	Low	46.8	Very low	138 Å²	138	72.3 Å²	72.3	52%	0.521	36%	0.364	S	S	.	.	H	α-helix	trans	-61.4	-45.8	173.8	-75.2	169	-172.1	-166.5	4.8	111.4	D1963 Y1964 E1970 M1971	D1963-R1967 VanDerWaalsContact O-CB 3.23Å; D1963-R1967 WeakPolarHBondContact O-CB 3.34Å; D1963-R1967 WeakPolarHBondContact O-CD 3.49Å; D1963-R1967 WeakPolarHBondContact O-CG 3.33Å; D1963-R1967 PolarHBondContact O-N 3.34Å; Y1964-R1967 PolarHBondContact O-N 3.32Å; R1967-E1970 PolarHBondContact O-N 2.63Å; R1967-M1971 WeakPolarHBondContact O-CB 3.03Å; R1967-M1971 VanDerWaalsContact O-CG 3.31Å; R1967-M1971 WeakPolarHBondContact O-CG 3.47Å; R1967-M1971 PolarHBondContact O-N 2.78Å
1968	R	44.7	Very low	46.6	Very low	16 Å²	16	70.6 Å²	70.6	6%	0.06	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-47.5	176.9	-170.7	170.4	177.8	-146.4	-13.4	110.9	G1952 A1956 Y1964 Q1965 E1970 M1971 M1972 S2034 D2038	G1952-R1968 PolarHBondContact O-NH1 2.78Å; G1952-R1968 PolarHBondContact O-NH2 2.86Å; A1956-R1968 VanDerWaalsContact CA-NH1 3.32Å; Y1964-R1968 VanDerWaalsContact O-CB 3.26Å; Y1964-R1968 WeakPolarHBondContact O-CB 3.43Å; Y1964-R1968 PolarHBondContact O-N 3.24Å; Q1965-R1968 PolarHBondContact O-N 2.78Å; R1968-E1970 PolarHBondContact O-N 3.02Å; R1968-M1971 PolarHBondContact O-N 3.4Å; R1968-M1971 VanDerWaalsContact O-N 3.16Å; R1968-M1972 HydrophobicContact CG-SD 4.15Å; R1968-M1972 WeakPolarHBondContact O-CB 3.34Å; R1968-M1972 VanDerWaalsContact O-CG 3.24Å; R1968-M1972 WeakPolarHBondContact O-CG 3.45Å; R1968-M1972 PolarHBondContact O-N 3.45Å; R1968-S2034 PolarHBondContact NE-OG 2.8Å; R1968-S2034 PolarHBondContact NH1-OG 2.7Å; R1968-D2038 IonicContact CZ-OD1 2.8Å; R1968-D2038 IonicContact CZ-OD2 3.51Å; R1968-D2038 IonicContact NE-OD1 2.72Å; R1968-D2038 IonicContact NE-OD2 2.79Å; R1968-D2038 PolarHBondContact NE-OD2 2.78Å; R1968-D2038 VanDerWaalsContact NH2-CG 3.33Å; R1968-D2038 IonicContact NH2-OD1 3.91Å; R1968-D2038 PolarHBondContact NH2-OD1 2.87Å; R1968-D2038 IonicContact NH2-OD2 2.75Å; R1968-D2038 PolarHBondContact NH2-OD2 2.97Å
1969	Q	48	Very low	46.3	Very low	124 Å²	124	67.4 Å²	67.4	58%	0.579	33%	0.329	S	S	*	.	H	α-helix	trans	-67.8	-35	178.3	-160.8	170.6	33	0	0	112.4	Q1965 K1966 N1973	Q1965-Q1969 WeakPolarHBondContact O-CB 3.39Å; Q1965-Q1969 PolarHBondContact O-N 3.12Å; K1966-Q1969 PolarHBondContact O-N 2.88Å; Q1969-N1973 WeakPolarHBondContact O-CB 3.38Å; Q1969-N1973 PolarHBondContact O-N 2.75Å; Q1969-N1973 PolarHBondContact O-ND2 3.44Å
1970	E	49	Very low	45.8	Very low	84 Å²	84	68.1 Å²	68.1	39%	0.393	33%	0.333	S	S	.	.	H	α-helix	trans	-66.1	-39.5	168.7	-81.3	-171.9	-146.6	0	0	112.6	K1966 R1967 R1968 N1973 K1974	K1966-E1970 VanDerWaalsContact O-CB 3.28Å; K1966-E1970 WeakPolarHBondContact O-CB 3.45Å; K1966-E1970 WeakPolarHBondContact O-CG 3.36Å; K1966-E1970 PolarHBondContact O-N 2.81Å; R1967-E1970 PolarHBondContact O-N 2.63Å; R1968-E1970 PolarHBondContact O-N 3.02Å; E1970-N1973 PolarHBondContact O-N 3.08Å; E1970-K1974 VanDerWaalsContact O-CB 3.28Å; E1970-K1974 WeakPolarHBondContact O-CB 3.18Å; E1970-K1974 WeakPolarHBondContact O-CD 3.02Å; E1970-K1974 WeakPolarHBondContact O-CG 3.39Å; E1970-K1974 PolarHBondContact O-N 2.79Å; E1970-K1974 IonicContact OE2-NZ 2.85Å; E1970-K1974 PolarHBondContact OE2-NZ 3.22Å
1971	M	49.8	Very low	45.9	Very low	66 Å²	66	66.6 Å²	66.6	33%	0.325	33%	0.329	S	S	.	.	H	α-helix	trans	-69.7	-31.6	176.5	-75.1	-164.2	-67	0	0	112.7	R1967 R1968 K1974 R1985 M1992	R1967-M1971 WeakPolarHBondContact O-CB 3.03Å; R1967-M1971 VanDerWaalsContact O-CG 3.31Å; R1967-M1971 WeakPolarHBondContact O-CG 3.47Å; R1967-M1971 PolarHBondContact O-N 2.78Å; R1968-M1971 PolarHBondContact O-N 3.4Å; R1968-M1971 VanDerWaalsContact O-N 3.16Å; M1971-K1974 VanDerWaalsContact O-O 3.06Å; M1971-R1985 PolarHBondContact O-NE 2.87Å; M1971-R1985 PolarHBondContact O-NH2 2.97Å; M1971-M1992 HydrophobicContact CE-SD 3.78Å; M1971-M1992 HydrophobicContact SD-SD 3.96Å
1972	M	41.9	Very low	45.6	Very low	89 Å²	89	66.8 Å²	66.8	44%	0.438	33%	0.333	S	S	.	.	H	α-helix	trans	-74.7	-40.7	171.7	-67.7	170.4	82.7	0	0	112.4	R1968	R1968-M1972 HydrophobicContact CG-SD 4.15Å; R1968-M1972 WeakPolarHBondContact O-CB 3.34Å; R1968-M1972 VanDerWaalsContact O-CG 3.24Å; R1968-M1972 WeakPolarHBondContact O-CG 3.45Å; R1968-M1972 PolarHBondContact O-N 3.45Å
1973	N	41.6	Very low	45.1	Very low	119 Å²	119	63.6 Å²	63.6	64%	0.636	31%	0.306	S	S	*	.	H	α-helix	trans	-73.9	-31.6	178.9	-74.4	-17.3	0	0	0	112.6	Q1969 E1970 R1975	Q1969-N1973 WeakPolarHBondContact O-CB 3.38Å; Q1969-N1973 PolarHBondContact O-N 2.75Å; Q1969-N1973 PolarHBondContact O-ND2 3.44Å; E1970-N1973 PolarHBondContact O-N 3.08Å; N1973-R1975 PolarHBondContact O-N 2.9Å
1974	K	42.9	Very low	44.6	Very low	115 Å²	115	62 Å²	62	50%	0.5	30%	0.3	S	S	.	.	S	Bend	trans	-66.1	118.5	164	-71.3	160.9	-169	156.6	0	107.1	E1970 M1971 R1985	E1970-K1974 VanDerWaalsContact O-CB 3.28Å; E1970-K1974 WeakPolarHBondContact O-CB 3.18Å; E1970-K1974 WeakPolarHBondContact O-CD 3.02Å; E1970-K1974 WeakPolarHBondContact O-CG 3.39Å; E1970-K1974 PolarHBondContact O-N 2.79Å; E1970-K1974 IonicContact OE2-NZ 2.85Å; E1970-K1974 PolarHBondContact OE2-NZ 3.22Å; M1971-K1974 VanDerWaalsContact O-O 3.06Å; K1974-R1985 VanDerWaalsContact CB-NH2 3.28Å; K1974-R1985 VanDerWaalsContact O-CZ 3.22Å; K1974-R1985 PolarHBondContact O-NE 3.15Å; K1974-R1985 PolarHBondContact O-NH2 2.81Å
1975	R	40.9	Very low	44.4	Very low	163 Å²	163	65 Å²	65	62%	0.615	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-88.7	131.2	-168.2	-65.9	171.5	151.8	-168.5	-5.4	111.7	D591 K595 N1973	D591-R1975 IonicContact OD1-CZ 2.67Å; D591-R1975 IonicContact OD1-NE 2.67Å; D591-R1975 IonicContact OD1-NH1 2.82Å; D591-R1975 IonicContact OD1-NH2 3.69Å; D591-R1975 PolarHBondContact OD1-NH2 3.07Å; D591-R1975 IonicContact OD2-CZ 2.66Å; D591-R1975 IonicContact OD2-NE 2.8Å; D591-R1975 PolarHBondContact OD2-NE 2.71Å; D591-R1975 VanDerWaalsContact OD2-NE 3.14Å; D591-R1975 IonicContact OD2-NH2 3.83Å; D591-R1975 PolarHBondContact OD2-NH2 2.9Å; K595-R1975 HydrophobicContact CD-CB 3.96Å; K595-R1975 HydrophobicContact CD-CG 4.36Å; N1973-R1975 PolarHBondContact O-N 2.9Å
1976	P	37.9	Very low	44.2	Very low	38 Å²	38	61.7 Å²	61.7	25%	0.247	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-76	126.8	174.8	28.6	-32.5	0	0	0	111.9	S1981	P1976-S1981 WeakPolarHBondContact CA-OG 3.21Å; P1976-S1981 WeakPolarHBondContact CB-OG 3.07Å
1977	A	39.3	Very low	43.5	Very low	37 Å²	37	56.8 Å²	56.8	31%	0.306	28%	0.275	S	S	.	.			trans	-80.5	-68.5	175.2	0	0	0	0	0	110.8	S1981 K2049	A1977-S1981 PolarHBondContact N-OG 2.79Å; A1977-K2049 PolarHBondContact O-NZ 2.58Å
1978	D	38.8	Very low	42.9	Very low	24 Å²	24	51.6 Å²	51.6	13%	0.128	26%	0.259	C	S	.	.	S	Bend	trans	-97	161.4	-169.8	-46.8	-28.5	0	0	0	111.4	T1980 S1981 G1982	D1978-T1980 PolarHBondContact O-N 3.17Å; D1978-T1980 VanDerWaalsContact O-N 3.15Å; D1978-S1981 PolarHBondContact N-OG 3.46Å; D1978-S1981 VanDerWaalsContact N-OG 3.09Å; D1978-S1981 WeakPolarHBondContact O-CA 3.45Å; D1978-S1981 PolarHBondContact O-N 2.77Å; D1978-S1981 PolarHBondContact O-OG 3.23Å; D1978-G1982 PolarHBondContact O-N 3.3Å
1979	L	33.7	Very low	43.2	Very low	15 Å²	15	51.4 Å²	51.4	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-46.9	-45.5	173.7	174.2	62.3	0	0	0	111.7	I547 S1981 G1982 I1983 A2046 Y2050	I547-L1979 HydrophobicContact CD1-CD2 3.48Å; I547-L1979 VanDerWaalsContact CD1-CD2 3.48Å; I547-L1979 HydrophobicContact CG1-CD2 4.13Å; L1979-S1981 PolarHBondContact O-N 3.09Å; L1979-G1982 CarbonylContact O-C 3.59Å; L1979-G1982 VanDerWaalsContact O-CA 3.27Å; L1979-G1982 WeakPolarHBondContact O-CA 3.25Å; L1979-G1982 PolarHBondContact O-N 3.38Å; L1979-I1983 HydrophobicContact CD1-CD1 3.72Å; L1979-I1983 HydrophobicContact CD1-CG1 3.89Å; L1979-I1983 HydrophobicContact CD2-CD1 3.98Å; L1979-I1983 HydrophobicContact CG-CD1 3.72Å; L1979-I1983 HydrophobicContact CG-CG1 4.23Å; L1979-I1983 PolarHBondContact O-N 3.02Å; L1979-A2046 HydrophobicContact CD1-CB 3.96Å; L1979-A2046 VanDerWaalsContact CD1-O 3.29Å; L1979-A2046 WeakPolarHBondContact CD1-O 3.28Å; L1979-Y2050 HydrophobicContact CB-CD2 3.59Å; L1979-Y2050 HydrophobicContact CB-CE2 3.83Å; L1979-Y2050 HydrophobicContact CB-CG 4.31Å; L1979-Y2050 HydrophobicContact CD1-CD2 4.14Å; L1979-Y2050 HydrophobicContact CD1-CG 4.14Å; L1979-Y2050 HydrophobicContact CD2-CD1 3.56Å; L1979-Y2050 HydrophobicContact CD2-CD2 3.51Å; L1979-Y2050 HydrophobicContact CD2-CE1 3.91Å; L1979-Y2050 HydrophobicContact CD2-CE2 3.89Å; L1979-Y2050 HydrophobicContact CD2-CG 3.36Å; L1979-Y2050 HydrophobicContact CG-CD2 3.9Å; L1979-Y2050 HydrophobicContact CG-CE2 4.41Å; L1979-Y2050 HydrophobicContact CG-CG 4.1Å
1980	T	35.9	Very low	43.1	Very low	14 Å²	14	46.4 Å²	46.4	9%	0.086	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-28.6	-176.2	64.7	0	0	0	0	112.2	F534 T536 Q545 D1978 G1982 A1984	F534-T1980 HydrophobicContact CE2-CG2 3.56Å; F534-T1980 HydrophobicContact CZ-CG2 3.4Å; T536-T1980 HydrophobicContact CG2-CG2 4.16Å; Q545-T1980 HydrophobicContact CB-CG2 4.22Å; Q545-T1980 HydrophobicContact CG-CG2 3.88Å; Q545-T1980 PolarHBondContact NE2-OG1 2.86Å; Q545-T1980 VanDerWaalsContact NE2-OG1 3.07Å; Q545-T1980 VanDerWaalsContact OE1-CG2 3.24Å; D1978-T1980 PolarHBondContact O-N 3.17Å; D1978-T1980 VanDerWaalsContact O-N 3.15Å; T1980-G1982 VanDerWaalsContact C-N 3.27Å; T1980-A1984 WeakPolarHBondContact O-CA 3.26Å; T1980-A1984 WeakPolarHBondContact O-CB 3.16Å; T1980-A1984 PolarHBondContact O-N 2.97Å
1981	S	45.6	Very low	42.7	Very low	31 Å²	31	43.2 Å²	43.2	22%	0.217	23%	0.227	C	C	.	.	H	α-helix	trans	-80.1	-8.5	170.9	77.5	0	0	0	0	113.9	P1976 A1977 D1978 L1979 R1985	P1976-S1981 WeakPolarHBondContact CA-OG 3.21Å; P1976-S1981 WeakPolarHBondContact CB-OG 3.07Å; A1977-S1981 PolarHBondContact N-OG 2.79Å; D1978-S1981 PolarHBondContact N-OG 3.46Å; D1978-S1981 VanDerWaalsContact N-OG 3.09Å; D1978-S1981 WeakPolarHBondContact O-CA 3.45Å; D1978-S1981 PolarHBondContact O-N 2.77Å; D1978-S1981 PolarHBondContact O-OG 3.23Å; L1979-S1981 PolarHBondContact O-N 3.09Å; S1981-R1985 VanDerWaalsContact O-CB 3.3Å; S1981-R1985 WeakPolarHBondContact O-CB 3.29Å; S1981-R1985 WeakPolarHBondContact O-CG 3.5Å; S1981-R1985 PolarHBondContact O-NH1 3.17Å
1982	G	47.5	Very low	42.7	Very low	12 Å²	12	43.6 Å²	43.6	12%	0.124	23%	0.229	C	C	.	.	H	α-helix	trans	-90.2	-55.1	170.5	0	0	0	0	0	111.9	D1978 L1979 T1980 R1985 G1986	D1978-G1982 PolarHBondContact O-N 3.3Å; L1979-G1982 CarbonylContact O-C 3.59Å; L1979-G1982 VanDerWaalsContact O-CA 3.27Å; L1979-G1982 WeakPolarHBondContact O-CA 3.25Å; L1979-G1982 PolarHBondContact O-N 3.38Å; T1980-G1982 VanDerWaalsContact C-N 3.27Å; G1982-R1985 CarbonylContact O-C 3.57Å; G1982-R1985 WeakPolarHBondContact O-CA 2.96Å; G1982-R1985 WeakPolarHBondContact O-CB 3.45Å; G1982-R1985 PolarHBondContact O-N 3.46Å; G1982-G1986 PolarHBondContact O-N 3Å
1983	I	40.8	Very low	43.2	Very low	6 Å²	6	39.4 Å²	39.4	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-41.4	175.9	-54.2	166.2	0	0	0	110.5	F532 F534 L1979 R1985 G1986 G1987 A2046	F532-I1983 HydrophobicContact CE1-CD1 4.48Å; F532-I1983 HydrophobicContact CE1-CG2 4.45Å; F532-I1983 HydrophobicContact CZ-CD1 3.89Å; F534-I1983 HydrophobicContact CB-CD1 4.14Å; F534-I1983 HydrophobicContact CB-CG2 4.15Å; F534-I1983 HydrophobicContact CD1-CB 3.74Å; F534-I1983 HydrophobicContact CD1-CD1 4.06Å; F534-I1983 HydrophobicContact CD1-CG2 3.38Å; F534-I1983 HydrophobicContact CD2-CD1 3.58Å; F534-I1983 HydrophobicContact CE1-CB 3.93Å; F534-I1983 HydrophobicContact CE1-CD1 4.48Å; F534-I1983 HydrophobicContact CE1-CG2 4.04Å; F534-I1983 HydrophobicContact CE2-CD1 4.06Å; F534-I1983 HydrophobicContact CG-CB 4.17Å; F534-I1983 HydrophobicContact CG-CD1 3.59Å; F534-I1983 HydrophobicContact CG-CG1 4.49Å; F534-I1983 HydrophobicContact CG-CG2 3.82Å; F534-I1983 HydrophobicContact CZ-CD1 4.48Å; L1979-I1983 HydrophobicContact CD1-CD1 3.72Å; L1979-I1983 HydrophobicContact CD1-CG1 3.89Å; L1979-I1983 HydrophobicContact CD2-CD1 3.98Å; L1979-I1983 HydrophobicContact CG-CD1 3.72Å; L1979-I1983 HydrophobicContact CG-CG1 4.23Å; L1979-I1983 PolarHBondContact O-N 3.02Å; I1983-R1985 PolarHBondContact O-N 2.91Å; I1983-G1986 PolarHBondContact O-N 2.78Å; I1983-G1986 VanDerWaalsContact O-N 3.15Å; I1983-G1987 PolarHBondContact O-N 3.08Å; I1983-A2046 HydrophobicContact CG1-CB 3.82Å
1984	A	41.9	Very low	43.5	Very low	22 Å²	22	34.5 Å²	34.5	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-62.6	-30.4	171.2	0	0	0	0	0	112.1	I488 T1980 T1988	I488-A1984 HydrophobicContact CD1-CB 3.71Å; T1980-A1984 WeakPolarHBondContact O-CA 3.26Å; T1980-A1984 WeakPolarHBondContact O-CB 3.16Å; T1980-A1984 PolarHBondContact O-N 2.97Å; A1984-T1988 WeakPolarHBondContact O-CB 3.38Å; A1984-T1988 PolarHBondContact O-N 3.09Å; A1984-T1988 PolarHBondContact O-OG1 2.88Å
1985	R	50.5	Low	43.8	Very low	79 Å²	79	30 Å²	30	30%	0.298	16%	0.164	S	C	.	.	H	α-helix	trans	-66.9	-45.7	171.4	-110.7	-176.5	-178.9	65.2	15.1	111.8	M1971 K1974 S1981 G1982 I1983 T1988 G1989	M1971-R1985 PolarHBondContact O-NE 2.87Å; M1971-R1985 PolarHBondContact O-NH2 2.97Å; K1974-R1985 VanDerWaalsContact CB-NH2 3.28Å; K1974-R1985 VanDerWaalsContact O-CZ 3.22Å; K1974-R1985 PolarHBondContact O-NE 3.15Å; K1974-R1985 PolarHBondContact O-NH2 2.81Å; S1981-R1985 VanDerWaalsContact O-CB 3.3Å; S1981-R1985 WeakPolarHBondContact O-CB 3.29Å; S1981-R1985 WeakPolarHBondContact O-CG 3.5Å; S1981-R1985 PolarHBondContact O-NH1 3.17Å; G1982-R1985 CarbonylContact O-C 3.57Å; G1982-R1985 WeakPolarHBondContact O-CA 2.96Å; G1982-R1985 WeakPolarHBondContact O-CB 3.45Å; G1982-R1985 PolarHBondContact O-N 3.46Å; I1983-R1985 PolarHBondContact O-N 2.91Å; R1985-T1988 PolarHBondContact O-N 2.89Å; R1985-G1989 PolarHBondContact O-N 3.12Å
1986	G	45.9	Very low	44.4	Very low	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-68	-47	-178.7	0	0	0	0	0	112.4	G1982 I1983 G1989 A1990 S2042	G1982-G1986 PolarHBondContact O-N 3Å; I1983-G1986 PolarHBondContact O-N 2.78Å; I1983-G1986 VanDerWaalsContact O-N 3.15Å; G1986-G1989 PolarHBondContact O-N 2.87Å; G1986-A1990 WeakPolarHBondContact O-CB 3.23Å; G1986-A1990 PolarHBondContact O-N 2.62Å; G1986-S2042 WeakPolarHBondContact CA-OG 3.43Å
1987	G	41.7	Very low	45.2	Very low	1 Å²	1	22.5 Å²	22.5	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-55.8	-52.4	168.2	0	0	0	0	0	111.6	I1983 G1989 A1990 I1991	I1983-G1987 PolarHBondContact O-N 3.08Å; G1987-G1989 VanDerWaalsContact C-N 3.29Å; G1987-G1989 PolarHBondContact O-N 2.84Å; G1987-A1990 WeakPolarHBondContact O-CA 3.31Å; G1987-A1990 VanDerWaalsContact O-CB 3.3Å; G1987-A1990 WeakPolarHBondContact O-CB 3.07Å; G1987-A1990 PolarHBondContact O-N 2.83Å; G1987-A1990 VanDerWaalsContact O-N 3.11Å; G1987-I1991 WeakPolarHBondContact O-CD1 3.48Å; G1987-I1991 WeakPolarHBondContact O-CG1 3.33Å; G1987-I1991 PolarHBondContact O-N 2.93Å
1988	T	42.6	Very low	45.8	Very low	29 Å²	29	21.5 Å²	21.5	18%	0.178	12%	0.124	C	C	.	.	H	α-helix	trans	-63.7	-32.6	179.3	-54.7	0	0	0	0	112.6	A1984 R1985 M1992	A1984-T1988 WeakPolarHBondContact O-CB 3.38Å; A1984-T1988 PolarHBondContact O-N 3.09Å; A1984-T1988 PolarHBondContact O-OG1 2.88Å; R1985-T1988 PolarHBondContact O-N 2.89Å; T1988-M1992 HydrophobicContact CG2-CE 3.79Å; T1988-M1992 HydrophobicContact CG2-CG 4.13Å; T1988-M1992 HydrophobicContact CG2-SD 3.8Å; T1988-M1992 WeakPolarHBondContact O-CB 3.45Å; T1988-M1992 VanDerWaalsContact O-CG 3.27Å; T1988-M1992 WeakPolarHBondContact O-CG 3.48Å; T1988-M1992 PolarHBondContact O-N 3.31Å
1989	G	50.5	Low	46.3	Very low	12 Å²	12	21.7 Å²	21.7	12%	0.124	13%	0.127	C	C	.	.	H	α-helix	trans	-69.4	-39.2	172.3	0	0	0	0	0	112.8	R1985 G1986 G1987 G1993 G2035	R1985-G1989 PolarHBondContact O-N 3.12Å; G1986-G1989 PolarHBondContact O-N 2.87Å; G1987-G1989 VanDerWaalsContact C-N 3.29Å; G1987-G1989 PolarHBondContact O-N 2.84Å; G1989-G1993 PolarHBondContact O-N 3.32Å; G1989-G2035 WeakPolarHBondContact O-CA 3.27Å
1990	A	45.7	Very low	47.2	Very low	18 Å²	18	21.1 Å²	21.1	15%	0.149	12%	0.124	C	C	.	.	H	α-helix	trans	-59.9	-55.9	171.3	0	0	0	0	0	110.5	G1986 G1987 G1993 V1994 G2035 F2039	G1986-A1990 WeakPolarHBondContact O-CB 3.23Å; G1986-A1990 PolarHBondContact O-N 2.62Å; G1987-A1990 WeakPolarHBondContact O-CA 3.31Å; G1987-A1990 VanDerWaalsContact O-CB 3.3Å; G1987-A1990 WeakPolarHBondContact O-CB 3.07Å; G1987-A1990 PolarHBondContact O-N 2.83Å; G1987-A1990 VanDerWaalsContact O-N 3.11Å; A1990-G1993 PolarHBondContact O-N 2.66Å; A1990-V1994 VanDerWaalsContact O-CB 3.31Å; A1990-V1994 WeakPolarHBondContact O-CB 3.46Å; A1990-V1994 VanDerWaalsContact O-CG2 3.28Å; A1990-V1994 WeakPolarHBondContact O-CG2 3.25Å; A1990-V1994 PolarHBondContact O-N 3.15Å; A1990-G2035 WeakPolarHBondContact CA-O 3.36Å; A1990-F2039 HydrophobicContact CB-CB 3.74Å; A1990-F2039 HydrophobicContact CB-CD2 3.88Å; A1990-F2039 HydrophobicContact CB-CG 4.01Å
1991	I	41.6	Very low	48	Very low	17 Å²	17	20.8 Å²	20.8	9%	0.087	12%	0.122	C	C	.	.	H	α-helix	trans	-58.3	-55.8	179	-56.4	157.9	0	0	0	109	F462 L479 M481 G1987 G1993 V1994 V1995	F462-I1991 HydrophobicContact CD1-CG2 4.23Å; F462-I1991 HydrophobicContact CD2-CD1 4.45Å; F462-I1991 HydrophobicContact CD2-CG1 4.26Å; F462-I1991 HydrophobicContact CD2-CG2 3.85Å; F462-I1991 HydrophobicContact CE1-CG2 4.22Å; F462-I1991 HydrophobicContact CE2-CG2 3.82Å; F462-I1991 HydrophobicContact CG-CG2 4.05Å; F462-I1991 HydrophobicContact CZ-CG2 4.01Å; L479-I1991 HydrophobicContact CD1-CD1 3.61Å; L479-I1991 HydrophobicContact CD1-CG1 3.96Å; L479-I1991 HydrophobicContact CD2-CD1 3.31Å; L479-I1991 HydrophobicContact CD2-CG1 4.08Å; L479-I1991 HydrophobicContact CG-CD1 4Å; L479-I1991 HydrophobicContact CG-CG1 4.4Å; M481-I1991 HydrophobicContact CE-CD1 4.35Å; M481-I1991 HydrophobicContact CG-CD1 4.01Å; M481-I1991 HydrophobicContact SD-CD1 3.66Å; G1987-I1991 WeakPolarHBondContact O-CD1 3.48Å; G1987-I1991 WeakPolarHBondContact O-CG1 3.33Å; G1987-I1991 PolarHBondContact O-N 2.93Å; I1991-G1993 VanDerWaalsContact C-N 3.29Å; I1991-G1993 PolarHBondContact O-N 3.14Å; I1991-V1994 PolarHBondContact O-N 3.11Å; I1991-V1995 HydrophobicContact CG2-CB 4.32Å; I1991-V1995 HydrophobicContact CG2-CG2 3.55Å; I1991-V1995 WeakPolarHBondContact O-CA 3.24Å; I1991-V1995 WeakPolarHBondContact O-CB 3.23Å; I1991-V1995 WeakPolarHBondContact O-CG2 3.48Å; I1991-V1995 PolarHBondContact O-N 2.98Å
1992	M	50.3	Low	48.3	Very low	75 Å²	75	21 Å²	21	37%	0.369	12%	0.119	S	C	.	.	H	α-helix	trans	-63.4	-34.9	-177.7	-72.7	-178.9	171.6	0	0	111.7	M1971 T1988 D1996	M1971-M1992 HydrophobicContact CE-SD 3.78Å; M1971-M1992 HydrophobicContact SD-SD 3.96Å; T1988-M1992 HydrophobicContact CG2-CE 3.79Å; T1988-M1992 HydrophobicContact CG2-CG 4.13Å; T1988-M1992 HydrophobicContact CG2-SD 3.8Å; T1988-M1992 WeakPolarHBondContact O-CB 3.45Å; T1988-M1992 VanDerWaalsContact O-CG 3.27Å; T1988-M1992 WeakPolarHBondContact O-CG 3.48Å; T1988-M1992 PolarHBondContact O-N 3.31Å; M1992-D1996 WeakPolarHBondContact O-CA 3.16Å; M1992-D1996 WeakPolarHBondContact O-CB 3.5Å; M1992-D1996 PolarHBondContact O-N 2.69Å
1993	G	52	Low	48.7	Very low	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-49.5	172.7	0	0	0	0	0	113.2	G1989 A1990 I1991 G1997 R2031 P2032	G1989-G1993 PolarHBondContact O-N 3.32Å; A1990-G1993 PolarHBondContact O-N 2.66Å; I1991-G1993 VanDerWaalsContact C-N 3.29Å; I1991-G1993 PolarHBondContact O-N 3.14Å; G1993-G1997 WeakPolarHBondContact O-CA 3.38Å; G1993-G1997 PolarHBondContact O-N 3.11Å; G1993-R2031 VanDerWaalsContact C-C 3.44Å; G1993-R2031 CarbonylContact C-O 3.59Å; G1993-R2031 WeakPolarHBondContact CA-O 3.48Å; G1993-R2031 CarbonylContact O-C 3.55Å; G1993-R2031 WeakPolarHBondContact O-CB 3.45Å; G1993-P2032 VanDerWaalsContact O-N 3.15Å
1994	V	47.2	Very low	49.5	Very low	16 Å²	16	24.5 Å²	24.5	10%	0.097	14%	0.136	C	C	.	.	H	α-helix	trans	-73.9	-43.1	-176.2	174	0	0	0	0	111.6	I255 F464 A1990 I1991 G1997 V1998 P2032 V2036	I255-V1994 HydrophobicContact CD1-CG1 3.28Å; F464-V1994 HydrophobicContact CD2-CG1 4.15Å; F464-V1994 HydrophobicContact CD2-CG2 4.38Å; F464-V1994 HydrophobicContact CE2-CG2 4.42Å; A1990-V1994 VanDerWaalsContact O-CB 3.31Å; A1990-V1994 WeakPolarHBondContact O-CB 3.46Å; A1990-V1994 VanDerWaalsContact O-CG2 3.28Å; A1990-V1994 WeakPolarHBondContact O-CG2 3.25Å; A1990-V1994 PolarHBondContact O-N 3.15Å; I1991-V1994 PolarHBondContact O-N 3.11Å; V1994-G1997 PolarHBondContact O-N 2.87Å; V1994-V1998 PolarHBondContact O-N 2.98Å; V1994-P2032 HydrophobicContact CG2-CB 4.25Å; V1994-V2036 HydrophobicContact CG2-CG2 4.43Å
1995	V	48.5	Very low	49.9	Very low	21 Å²	21	23.7 Å²	23.7	13%	0.127	13%	0.129	C	C	.	.	H	α-helix	trans	-70.7	-55.1	175.1	179.1	0	0	0	0	110.7	L253 F462 I1991 G1997 V1998 T1999	L253-V1995 HydrophobicContact CD2-CG2 4.01Å; F462-V1995 HydrophobicContact CD1-CG2 3.5Å; F462-V1995 HydrophobicContact CE1-CG2 3.43Å; F462-V1995 VanDerWaalsContact CE1-CG2 3.43Å; F462-V1995 HydrophobicContact CG-CG2 4.41Å; F462-V1995 HydrophobicContact CZ-CG2 4.28Å; I1991-V1995 HydrophobicContact CG2-CB 4.32Å; I1991-V1995 HydrophobicContact CG2-CG2 3.55Å; I1991-V1995 WeakPolarHBondContact O-CA 3.24Å; I1991-V1995 WeakPolarHBondContact O-CB 3.23Å; I1991-V1995 WeakPolarHBondContact O-CG2 3.48Å; I1991-V1995 PolarHBondContact O-N 2.98Å; V1995-G1997 PolarHBondContact O-N 2.87Å; V1995-G1997 VanDerWaalsContact O-N 3.08Å; V1995-V1998 PolarHBondContact O-N 3.13Å; V1995-T1999 HydrophobicContact CG1-CG2 3.68Å; V1995-T1999 VanDerWaalsContact O-CA 3.25Å; V1995-T1999 WeakPolarHBondContact O-CA 3.4Å; V1995-T1999 WeakPolarHBondContact O-CB 3.1Å; V1995-T1999 WeakPolarHBondContact O-CG2 3.38Å; V1995-T1999 PolarHBondContact O-N 2.89Å; V1995-T1999 PolarHBondContact O-OG1 3Å
1996	D	55.2	Low	50.1	Low	44 Å²	44	23.2 Å²	23.2	24%	0.235	13%	0.131	C	C	.	.	H	α-helix	trans	-67	-13.1	177.4	-57.1	-13.2	0	0	0	111.5	M1992 G2000 R2031	M1992-D1996 WeakPolarHBondContact O-CA 3.16Å; M1992-D1996 WeakPolarHBondContact O-CB 3.5Å; M1992-D1996 PolarHBondContact O-N 2.69Å; D1996-G2000 WeakPolarHBondContact O-CA 3.36Å; D1996-G2000 PolarHBondContact O-N 3.03Å; D1996-G2000 VanDerWaalsContact O-N 3.08Å; D1996-R2031 WeakPolarHBondContact O-CD 3.31Å; D1996-R2031 PolarHBondContact O-NH1 3.29Å
1997	G	54.1	Low	50.7	Low	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-75.8	-64.2	169	0	0	0	0	0	112.8	G1993 V1994 V1995 G2000 V2001	G1993-G1997 WeakPolarHBondContact O-CA 3.38Å; G1993-G1997 PolarHBondContact O-N 3.11Å; V1994-G1997 PolarHBondContact O-N 2.87Å; V1995-G1997 PolarHBondContact O-N 2.87Å; V1995-G1997 VanDerWaalsContact O-N 3.08Å; G1997-G2000 WeakPolarHBondContact O-CA 3.15Å; G1997-G2000 PolarHBondContact O-N 3.45Å; G1997-V2001 PolarHBondContact O-N 2.9Å
1998	V	50.9	Low	51.1	Low	15 Å²	15	27.1 Å²	27.1	9%	0.091	15%	0.151	C	C	.	.	H	α-helix	trans	-73.3	-48.2	-178.1	172.9	0	0	0	0	111.7	A231 L253 I255 V1994 V1995 G2000 V2001 F2002	A231-V1998 HydrophobicContact CB-CG1 3.99Å; L253-V1998 HydrophobicContact CD1-CG1 4.34Å; I255-V1998 HydrophobicContact CD1-CB 4.2Å; I255-V1998 HydrophobicContact CD1-CG2 3.59Å; I255-V1998 HydrophobicContact CG1-CG2 4.3Å; V1994-V1998 PolarHBondContact O-N 2.98Å; V1995-V1998 PolarHBondContact O-N 3.13Å; V1998-G2000 PolarHBondContact O-N 2.87Å; V1998-V2001 PolarHBondContact O-N 3.36Å; V1998-V2001 VanDerWaalsContact O-N 3.14Å; V1998-F2002 HydrophobicContact CG1-CE2 4.02Å; V1998-F2002 VanDerWaalsContact O-CD2 3.22Å; V1998-F2002 WeakPolarHBondContact O-CD2 3.47Å
1999	T	50.3	Low	51.5	Low	29 Å²	29	27.2 Å²	27.2	18%	0.178	16%	0.155	C	C	.	.	H	α-helix	trans	-66.6	-13	165.2	81.5	0	0	0	0	111.6	V1995 F2002 V2003	V1995-T1999 HydrophobicContact CG1-CG2 3.68Å; V1995-T1999 VanDerWaalsContact O-CA 3.25Å; V1995-T1999 WeakPolarHBondContact O-CA 3.4Å; V1995-T1999 WeakPolarHBondContact O-CB 3.1Å; V1995-T1999 WeakPolarHBondContact O-CG2 3.38Å; V1995-T1999 PolarHBondContact O-N 2.89Å; V1995-T1999 PolarHBondContact O-OG1 3Å; T1999-F2002 PolarHBondContact O-N 3.17Å; T1999-V2003 WeakPolarHBondContact O-CA 3.43Å; T1999-V2003 WeakPolarHBondContact O-CB 3.45Å; T1999-V2003 WeakPolarHBondContact O-CG2 3.43Å; T1999-V2003 PolarHBondContact O-N 2.87Å
2000	G	52.7	Low	51.4	Low	2 Å²	2	34.5 Å²	34.5	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-53.5	-50.7	163.9	0	0	0	0	0	112.3	D1996 G1997 V1998 F2002 K2004 P2005 G2024	D1996-G2000 WeakPolarHBondContact O-CA 3.36Å; D1996-G2000 PolarHBondContact O-N 3.03Å; D1996-G2000 VanDerWaalsContact O-N 3.08Å; G1997-G2000 WeakPolarHBondContact O-CA 3.15Å; G1997-G2000 PolarHBondContact O-N 3.45Å; V1998-G2000 PolarHBondContact O-N 2.87Å; G2000-F2002 VanDerWaalsContact C-N 3.28Å; G2000-F2002 PolarHBondContact O-N 2.83Å; G2000-K2004 WeakPolarHBondContact O-CB 3.34Å; G2000-K2004 WeakPolarHBondContact O-CG 3.18Å; G2000-K2004 PolarHBondContact O-N 3.01Å; G2000-P2005 WeakPolarHBondContact O-CD 3.5Å; G2000-G2024 WeakPolarHBondContact O-CA 3.19Å
2001	V	53.2	Low	51.7	Low	8 Å²	8	41.2 Å²	41.2	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-73.3	-17.5	-179.3	-144.2	0	0	0	0	113.8	F179 G1997 V1998 P2005 L2021 L2025 M2028	F179-V2001 HydrophobicContact CE1-CB 4.39Å; F179-V2001 HydrophobicContact CE2-CB 4.35Å; F179-V2001 HydrophobicContact CE2-CG1 3.68Å; F179-V2001 HydrophobicContact CZ-CB 3.76Å; F179-V2001 HydrophobicContact CZ-CG1 3.53Å; F179-V2001 HydrophobicContact CZ-CG2 4.17Å; G1997-V2001 PolarHBondContact O-N 2.9Å; V1998-V2001 PolarHBondContact O-N 3.36Å; V1998-V2001 VanDerWaalsContact O-N 3.14Å; V2001-P2005 WeakPolarHBondContact O-CD 3.47Å; V2001-P2005 WeakPolarHBondContact O-CG 3.2Å; V2001-L2021 HydrophobicContact CG1-CD1 3.96Å; V2001-L2025 HydrophobicContact CG1-CD2 4.12Å; V2001-M2028 HydrophobicContact CG2-CB 3.59Å; V2001-M2028 HydrophobicContact CG2-CE 4.41Å; V2001-M2028 HydrophobicContact CG2-CG 3.99Å; V2001-M2028 HydrophobicContact CG2-SD 3.58Å; V2001-M2028 VanDerWaalsContact CG2-SD 3.58Å
2002	F	52.2	Low	51.9	Low	34 Å²	34	44.5 Å²	44.5	15%	0.149	22%	0.222	C	C	.	.	H	α-helix	trans	-91.9	-51.3	174.2	-62.5	-67.3	0	0	0	111.9	F179 K200 V1998 T1999 G2000 I2006	F179-F2002 HydrophobicContact CB-CE1 4.22Å; F179-F2002 HydrophobicContact CD1-CD1 4.49Å; F179-F2002 AromaticContact CD1-CE1 3.46Å; F179-F2002 HydrophobicContact CD1-CE1 3.46Å; F179-F2002 VanDerWaalsContact CD1-CE1 3.46Å; F179-F2002 HydrophobicContact CD1-CE2 4.47Å; F179-F2002 AromaticContact CD1-CZ 3.46Å; F179-F2002 HydrophobicContact CD1-CZ 3.46Å; F179-F2002 VanDerWaalsContact CD1-CZ 3.46Å; F179-F2002 HydrophobicContact CE1-CE1 4.07Å; F179-F2002 HydrophobicContact CE1-CE2 4.42Å; F179-F2002 AromaticContact CE1-CZ 3.81Å; F179-F2002 HydrophobicContact CE1-CZ 3.81Å; F179-F2002 HydrophobicContact CG-CE1 4.02Å; F179-F2002 HydrophobicContact CG-CZ 4.43Å; K200-F2002 HydrophobicContact CD-CE1 4.37Å; V1998-F2002 HydrophobicContact CG1-CE2 4.02Å; V1998-F2002 VanDerWaalsContact O-CD2 3.22Å; V1998-F2002 WeakPolarHBondContact O-CD2 3.47Å; T1999-F2002 PolarHBondContact O-N 3.17Å; G2000-F2002 VanDerWaalsContact C-N 3.28Å; G2000-F2002 PolarHBondContact O-N 2.83Å; F2002-I2006 WeakPolarHBondContact O-CD1 3.3Å; F2002-I2006 WeakPolarHBondContact O-CG1 3.27Å
2003	V	55.7	Low	51.7	Low	60 Å²	60	42.4 Å²	42.4	36%	0.364	22%	0.22	S	C	.	.	H	α-helix	trans	-83	-38.5	-171.6	-179.9	0	0	0	0	112.2	T1999 I2006 E2007	T1999-V2003 WeakPolarHBondContact O-CA 3.43Å; T1999-V2003 WeakPolarHBondContact O-CB 3.45Å; T1999-V2003 WeakPolarHBondContact O-CG2 3.43Å; T1999-V2003 PolarHBondContact O-N 2.87Å; V2003-I2006 CarbonylContact O-C 3.52Å; V2003-I2006 WeakPolarHBondContact O-CA 3.22Å; V2003-I2006 PolarHBondContact O-N 2.87Å; V2003-E2007 HydrophobicContact CG1-CG 3.84Å; V2003-E2007 PolarHBondContact O-N 2.95Å
2004	K	57.5	Low	51.1	Low	33 Å²	33	44 Å²	44	14%	0.143	23%	0.234	C	C	.	.	H	α-helix	trans	-64.5	-40.2	-179.9	-67.1	-76.7	165.2	-159.5	0	112.7	D1961 G2000 I2006 E2007 G2008 G2020 K2023	D1961-K2004 IonicContact OD2-NZ 3.35Å; G2000-K2004 WeakPolarHBondContact O-CB 3.34Å; G2000-K2004 WeakPolarHBondContact O-CG 3.18Å; G2000-K2004 PolarHBondContact O-N 3.01Å; K2004-I2006 PolarHBondContact O-N 3.29Å; K2004-E2007 VanDerWaalsContact CD-OE2 3.31Å; K2004-E2007 WeakPolarHBondContact CD-OE2 3.27Å; K2004-E2007 VanDerWaalsContact CE-OE2 3.25Å; K2004-E2007 WeakPolarHBondContact CE-OE2 3.4Å; K2004-E2007 IonicContact NZ-OE2 3.99Å; K2004-E2007 PolarHBondContact NZ-OE2 2.93Å; K2004-G2008 PolarHBondContact O-N 2.59Å; K2004-G2020 VanDerWaalsContact C-CA 3.41Å; K2004-G2020 WeakPolarHBondContact CB-O 3.27Å; K2004-G2020 VanDerWaalsContact O-CA 3.22Å; K2004-G2020 WeakPolarHBondContact O-CA 3.45Å; K2004-K2023 HydrophobicContact CB-CB 4.45Å; K2004-K2023 HydrophobicContact CD-CB 4.48Å; K2004-K2023 HydrophobicContact CG-CB 4.46Å
2005	P	49.6	Very low	50.5	Low	5 Å²	5	45 Å²	45	3%	0.032	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-29.5	169.7	-23.5	33.4	0	0	0	113.8	G2000 V2001 A2009 F2017 L2021	G2000-P2005 WeakPolarHBondContact O-CD 3.5Å; V2001-P2005 WeakPolarHBondContact O-CD 3.47Å; V2001-P2005 WeakPolarHBondContact O-CG 3.2Å; P2005-A2009 WeakPolarHBondContact O-CB 3.41Å; P2005-A2009 PolarHBondContact O-N 3.09Å; P2005-F2017 HydrophobicContact CB-CD2 3.54Å; P2005-F2017 HydrophobicContact CB-CE2 3.58Å; P2005-F2017 HydrophobicContact CB-CG 4.19Å; P2005-F2017 HydrophobicContact CB-CZ 4.26Å; P2005-L2021 HydrophobicContact CG-CB 4.22Å; P2005-L2021 HydrophobicContact CG-CD1 4.29Å
2006	I	53.7	Low	50.4	Low	68 Å²	68	44 Å²	44	35%	0.349	23%	0.232	S	C	.	.	H	α-helix	trans	-79.1	-45.9	178.5	-61.3	166.7	0	0	0	111.3	I143 F2002 V2003 K2004 G2008 A2009 R2010	I143-I2006 HydrophobicContact CD1-CG1 4.19Å; I143-I2006 HydrophobicContact CD1-CG2 4.37Å; I143-I2006 HydrophobicContact CG2-CD1 3.48Å; I143-I2006 VanDerWaalsContact CG2-CD1 3.48Å; I143-I2006 HydrophobicContact CG2-CG1 3.82Å; F2002-I2006 WeakPolarHBondContact O-CD1 3.3Å; F2002-I2006 WeakPolarHBondContact O-CG1 3.27Å; V2003-I2006 CarbonylContact O-C 3.52Å; V2003-I2006 WeakPolarHBondContact O-CA 3.22Å; V2003-I2006 PolarHBondContact O-N 2.87Å; K2004-I2006 PolarHBondContact O-N 3.29Å; I2006-G2008 VanDerWaalsContact C-N 3.33Å; I2006-A2009 PolarHBondContact O-N 2.85Å; I2006-R2010 WeakPolarHBondContact O-CB 3.5Å; I2006-R2010 PolarHBondContact O-N 2.78Å
2007	E	58.6	Low	50.2	Low	74 Å²	74	45.1 Å²	45.1	35%	0.346	24%	0.235	S	C	.	.	H	α-helix	trans	-56.8	-49.5	172.7	-75.3	-179.8	156.1	0	0	109.8	V2003 K2004 R2010 E2011	V2003-E2007 HydrophobicContact CG1-CG 3.84Å; V2003-E2007 PolarHBondContact O-N 2.95Å; K2004-E2007 VanDerWaalsContact CD-OE2 3.31Å; K2004-E2007 WeakPolarHBondContact CD-OE2 3.27Å; K2004-E2007 VanDerWaalsContact CE-OE2 3.25Å; K2004-E2007 WeakPolarHBondContact CE-OE2 3.4Å; K2004-E2007 IonicContact NZ-OE2 3.99Å; K2004-E2007 PolarHBondContact NZ-OE2 2.93Å; E2007-R2010 CarbonylContact O-C 3.59Å; E2007-R2010 WeakPolarHBondContact O-CA 3.5Å; E2007-R2010 WeakPolarHBondContact O-CB 3.47Å; E2007-R2010 PolarHBondContact O-N 2.98Å; E2007-R2010 VanDerWaalsContact O-N 3.08Å; E2007-E2011 WeakPolarHBondContact O-CB 3.36Å; E2007-E2011 WeakPolarHBondContact O-CG 3.14Å; E2007-E2011 PolarHBondContact O-N 2.91Å
2008	G	51.4	Low	49.8	Very low	9 Å²	9	47 Å²	47	9%	0.093	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-40.6	175.3	0	0	0	0	0	113.2	K2004 I2006 R2010 E2011 E2012 G2013 G2016	K2004-G2008 PolarHBondContact O-N 2.59Å; I2006-G2008 VanDerWaalsContact C-N 3.33Å; G2008-R2010 PolarHBondContact O-N 3.11Å; G2008-E2011 PolarHBondContact O-N 3.4Å; G2008-E2012 PolarHBondContact O-N 2.87Å; G2008-G2013 PolarHBondContact O-N 2.92Å; G2008-G2016 VanDerWaalsContact CA-C 3.47Å; G2008-G2016 VanDerWaalsContact CA-O 3.29Å; G2008-G2016 WeakPolarHBondContact CA-O 3.43Å; G2008-G2016 CarbonylContact O-C 3.59Å; G2008-G2016 VanDerWaalsContact O-CA 3.32Å; G2008-G2016 WeakPolarHBondContact O-CA 3.4Å
2009	A	50.3	Low	49.6	Very low	31 Å²	31	47.5 Å²	47.5	26%	0.256	25%	0.251	S	S	.	.	H	α-helix	trans	-58.8	-29.5	171.6	0	0	0	0	0	112.8	P2005 I2006 G2013 F2017	P2005-A2009 WeakPolarHBondContact O-CB 3.41Å; P2005-A2009 PolarHBondContact O-N 3.09Å; I2006-A2009 PolarHBondContact O-N 2.85Å; A2009-G2013 WeakPolarHBondContact CA-O 3.24Å; A2009-G2013 VanDerWaalsContact O-CA 3.27Å; A2009-G2013 WeakPolarHBondContact O-CA 3.34Å; A2009-G2013 PolarHBondContact O-N 3.31Å; A2009-F2017 HydrophobicContact CB-CB 4.34Å
2010	R	47.9	Very low	49.7	Very low	165 Å²	165	46.2 Å²	46.2	62%	0.623	24%	0.244	S	C	*	.	H	α-helix	trans	-83.3	-32.4	175.7	-160	175.5	-162.5	173.6	7.3	113.2	D132 E136 I2006 E2007 G2008	D132-R2010 IonicContact OD1-CZ 3.35Å; D132-R2010 IonicContact OD1-NH2 3.1Å; D132-R2010 PolarHBondContact OD1-NH2 3.3Å; E136-R2010 IonicContact OE1-CZ 2.68Å; E136-R2010 IonicContact OE1-NE 2.81Å; E136-R2010 PolarHBondContact OE1-NE 3.45Å; E136-R2010 VanDerWaalsContact OE1-NE 3.16Å; E136-R2010 IonicContact OE1-NH2 3.22Å; E136-R2010 PolarHBondContact OE1-NH2 2.92Å; I2006-R2010 WeakPolarHBondContact O-CB 3.5Å; I2006-R2010 PolarHBondContact O-N 2.78Å; E2007-R2010 CarbonylContact O-C 3.59Å; E2007-R2010 WeakPolarHBondContact O-CA 3.5Å; E2007-R2010 WeakPolarHBondContact O-CB 3.47Å; E2007-R2010 PolarHBondContact O-N 2.98Å; E2007-R2010 VanDerWaalsContact O-N 3.08Å; G2008-R2010 PolarHBondContact O-N 3.11Å
2011	E	53.4	Low	49.7	Very low	159 Å²	159	47.7 Å²	47.7	74%	0.743	25%	0.252	S	S	*	.	H	α-helix	trans	-87.8	-42.5	-176.6	-71.7	-176.5	157	0	0	113.7	E2007 G2008	E2007-E2011 WeakPolarHBondContact O-CB 3.36Å; E2007-E2011 WeakPolarHBondContact O-CG 3.14Å; E2007-E2011 PolarHBondContact O-N 2.91Å; G2008-E2011 PolarHBondContact O-N 3.4Å
2012	E	46.2	Very low	49.5	Very low	86 Å²	86	48.4 Å²	48.4	40%	0.402	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	12.6	-175.4	-57.5	-176.4	-170.2	0	0	113.2	G2008 K2019	G2008-E2012 PolarHBondContact O-N 2.87Å; E2012-K2019 VanDerWaalsContact CD-NZ 3.31Å; E2012-K2019 IonicContact OE1-NZ 2.76Å; E2012-K2019 PolarHBondContact OE1-NZ 3.23Å; E2012-K2019 VanDerWaalsContact OE1-NZ 3.1Å; E2012-K2019 VanDerWaalsContact OE2-CD 3.26Å; E2012-K2019 WeakPolarHBondContact OE2-CD 3.28Å; E2012-K2019 WeakPolarHBondContact OE2-CE 3.5Å; E2012-K2019 IonicContact OE2-NZ 3.86Å; E2012-K2019 PolarHBondContact OE2-NZ 3.46Å
2013	G	46	Very low	49.7	Very low	32 Å²	32	49.9 Å²	49.9	33%	0.33	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	-151.7	-173.4	0	0	0	0	0	111.5	G2008 A2009 I2015 G2016 F2017	G2008-G2013 PolarHBondContact O-N 2.92Å; A2009-G2013 WeakPolarHBondContact CA-O 3.24Å; A2009-G2013 VanDerWaalsContact O-CA 3.27Å; A2009-G2013 WeakPolarHBondContact O-CA 3.34Å; A2009-G2013 PolarHBondContact O-N 3.31Å; G2013-I2015 PolarHBondContact O-N 2.92Å; G2013-I2015 VanDerWaalsContact O-N 3.14Å; G2013-G2016 CarbonylContact O-C 3.6Å; G2013-G2016 VanDerWaalsContact O-CA 3.3Å; G2013-G2016 WeakPolarHBondContact O-CA 3.19Å; G2013-G2016 PolarHBondContact O-N 3.17Å; G2013-F2017 PolarHBondContact O-N 3.12Å
2014	A	38	Very low	49.8	Very low	34 Å²	34	47 Å²	47	28%	0.281	25%	0.249	S	C	.	.	H	α-helix	trans	-69.1	-13	-174.8	0	0	0	0	0	114.9	I10 A14 F2017 A2018	I10-A2014 HydrophobicContact CG2-CB 4.5Å; A14-A2014 HydrophobicContact CB-CB 3.27Å; A2014-F2017 HydrophobicContact CB-CB 4.43Å; A2014-F2017 WeakPolarHBondContact O-CB 3.44Å; A2014-F2017 PolarHBondContact O-N 3.39Å; A2014-A2018 PolarHBondContact O-N 3.36Å; A2014-A2018 VanDerWaalsContact O-N 3.12Å
2015	I	35.6	Very low	49.4	Very low	35 Å²	35	47.1 Å²	47.1	18%	0.179	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-50.5	162.7	-63.4	-177.2	0	0	0	109.3	K13 S17 Y18 G2013 F2017 A2018 K2019	K13-I2015 WeakPolarHBondContact O-CD1 3.19Å; K13-I2015 WeakPolarHBondContact O-CG1 3.4Å; S17-I2015 WeakPolarHBondContact OG-CG1 3.32Å; Y18-I2015 HydrophobicContact CE2-CB 4.32Å; Y18-I2015 HydrophobicContact CE2-CG2 3.76Å; Y18-I2015 WeakPolarHBondContact OH-CG2 3.31Å; G2013-I2015 PolarHBondContact O-N 2.92Å; G2013-I2015 VanDerWaalsContact O-N 3.14Å; I2015-F2017 VanDerWaalsContact C-N 3.3Å; I2015-F2017 PolarHBondContact O-N 3.04Å; I2015-A2018 WeakPolarHBondContact O-CA 3.24Å; I2015-A2018 WeakPolarHBondContact O-CB 3.11Å; I2015-A2018 PolarHBondContact O-N 2.86Å; I2015-K2019 PolarHBondContact O-N 3.08Å
2016	G	46.5	Very low	49.3	Very low	1 Å²	1	48.6 Å²	48.6	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-28.6	173.3	0	0	0	0	0	113.1	G2008 G2013 A2018 K2019 G2020	G2008-G2016 VanDerWaalsContact CA-C 3.47Å; G2008-G2016 VanDerWaalsContact CA-O 3.29Å; G2008-G2016 WeakPolarHBondContact CA-O 3.43Å; G2008-G2016 CarbonylContact O-C 3.59Å; G2008-G2016 VanDerWaalsContact O-CA 3.32Å; G2008-G2016 WeakPolarHBondContact O-CA 3.4Å; G2013-G2016 CarbonylContact O-C 3.6Å; G2013-G2016 VanDerWaalsContact O-CA 3.3Å; G2013-G2016 WeakPolarHBondContact O-CA 3.19Å; G2013-G2016 PolarHBondContact O-N 3.17Å; G2016-A2018 VanDerWaalsContact C-N 3.29Å; G2016-A2018 PolarHBondContact O-N 2.82Å; G2016-K2019 PolarHBondContact O-N 2.8Å; G2016-G2020 VanDerWaalsContact O-CA 3.29Å; G2016-G2020 WeakPolarHBondContact O-CA 3.35Å; G2016-G2020 PolarHBondContact O-N 2.89Å
2017	F	51.2	Low	49.1	Very low	67 Å²	67	45.4 Å²	45.4	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-58.8	-43	167.6	-178.8	-88.3	0	0	0	110.7	L146 P2005 A2009 G2013 A2014 I2015 G2020 L2021	L146-F2017 HydrophobicContact CD2-CE2 4.32Å; L146-F2017 HydrophobicContact CD2-CZ 4.39Å; P2005-F2017 HydrophobicContact CB-CD2 3.54Å; P2005-F2017 HydrophobicContact CB-CE2 3.58Å; P2005-F2017 HydrophobicContact CB-CG 4.19Å; P2005-F2017 HydrophobicContact CB-CZ 4.26Å; A2009-F2017 HydrophobicContact CB-CB 4.34Å; G2013-F2017 PolarHBondContact O-N 3.12Å; A2014-F2017 HydrophobicContact CB-CB 4.43Å; A2014-F2017 WeakPolarHBondContact O-CB 3.44Å; A2014-F2017 PolarHBondContact O-N 3.39Å; I2015-F2017 VanDerWaalsContact C-N 3.3Å; I2015-F2017 PolarHBondContact O-N 3.04Å; F2017-G2020 PolarHBondContact O-N 2.91Å; F2017-L2021 HydrophobicContact CE1-CD2 4.46Å; F2017-L2021 VanDerWaalsContact O-CB 3.25Å; F2017-L2021 WeakPolarHBondContact O-CB 3.35Å; F2017-L2021 PolarHBondContact O-N 3.11Å
2018	A	45.1	Very low	48.7	Very low	40 Å²	40	42.7 Å²	42.7	33%	0.331	23%	0.23	S	C	.	.	H	α-helix	trans	-68.4	-46.7	175.5	0	0	0	0	0	112.9	Y18 A2014 I2015 G2016 G2020 L2021 G2022	Y18-A2018 HydrophobicContact CD2-CB 4.08Å; Y18-A2018 HydrophobicContact CE2-CB 3.89Å; A2014-A2018 PolarHBondContact O-N 3.36Å; A2014-A2018 VanDerWaalsContact O-N 3.12Å; I2015-A2018 WeakPolarHBondContact O-CA 3.24Å; I2015-A2018 WeakPolarHBondContact O-CB 3.11Å; I2015-A2018 PolarHBondContact O-N 2.86Å; G2016-A2018 VanDerWaalsContact C-N 3.29Å; G2016-A2018 PolarHBondContact O-N 2.82Å; A2018-G2020 PolarHBondContact O-N 2.74Å; A2018-L2021 PolarHBondContact O-N 3.36Å; A2018-G2022 PolarHBondContact O-N 3.37Å
2019	K	46.6	Very low	48.4	Very low	25 Å²	25	44.3 Å²	44.3	11%	0.109	24%	0.237	C	C	.	.	H	α-helix	trans	-59.6	-38.2	172.8	-64.3	-175.1	-175.1	-176.8	0	112.2	Y18 D50 E2012 I2015 G2016 G2022 K2023	Y18-K2019 WeakPolarHBondContact OH-CE 3.41Å; Y18-K2019 WeakPolarHBondContact OH-CG 3.36Å; D50-K2019 HydrophobicContact CB-CD 4.31Å; D50-K2019 WeakPolarHBondContact OD1-CE 3.38Å; D50-K2019 IonicContact OD1-NZ 3.78Å; D50-K2019 PolarHBondContact OD1-NZ 2.88Å; D50-K2019 WeakPolarHBondContact OD2-CE 3.46Å; D50-K2019 IonicContact OD2-NZ 3.71Å; D50-K2019 PolarHBondContact OD2-NZ 3.13Å; E2012-K2019 VanDerWaalsContact CD-NZ 3.31Å; E2012-K2019 IonicContact OE1-NZ 2.76Å; E2012-K2019 PolarHBondContact OE1-NZ 3.23Å; E2012-K2019 VanDerWaalsContact OE1-NZ 3.1Å; E2012-K2019 VanDerWaalsContact OE2-CD 3.26Å; E2012-K2019 WeakPolarHBondContact OE2-CD 3.28Å; E2012-K2019 WeakPolarHBondContact OE2-CE 3.5Å; E2012-K2019 IonicContact OE2-NZ 3.86Å; E2012-K2019 PolarHBondContact OE2-NZ 3.46Å; I2015-K2019 PolarHBondContact O-N 3.08Å; G2016-K2019 PolarHBondContact O-N 2.8Å; K2019-G2022 PolarHBondContact O-N 2.96Å; K2019-K2023 WeakPolarHBondContact O-CB 3.37Å; K2019-K2023 VanDerWaalsContact O-CG 3.29Å; K2019-K2023 WeakPolarHBondContact O-CG 3.49Å; K2019-K2023 PolarHBondContact O-N 3.14Å
2020	G	52.8	Low	48.4	Very low	3 Å²	3	43.4 Å²	43.4	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-70	-38.3	178.8	0	0	0	0	0	111.9	K2004 G2016 F2017 A2018 G2024	K2004-G2020 VanDerWaalsContact C-CA 3.41Å; K2004-G2020 WeakPolarHBondContact CB-O 3.27Å; K2004-G2020 VanDerWaalsContact O-CA 3.22Å; K2004-G2020 WeakPolarHBondContact O-CA 3.45Å; G2016-G2020 VanDerWaalsContact O-CA 3.29Å; G2016-G2020 WeakPolarHBondContact O-CA 3.35Å; G2016-G2020 PolarHBondContact O-N 2.89Å; F2017-G2020 PolarHBondContact O-N 2.91Å; A2018-G2020 PolarHBondContact O-N 2.74Å; G2020-G2024 WeakPolarHBondContact O-CA 3.21Å; G2020-G2024 PolarHBondContact O-N 2.91Å
2021	L	53.1	Low	48.9	Very low	33 Å²	33	35.7 Å²	35.7	17%	0.173	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-41.7	170.3	-172.9	63.4	0	0	0	110.6	I150 V2001 P2005 F2017 A2018 G2024 L2025	I150-L2021 HydrophobicContact CD1-CD1 4.4Å; I150-L2021 HydrophobicContact CD1-CD2 4Å; V2001-L2021 HydrophobicContact CG1-CD1 3.96Å; P2005-L2021 HydrophobicContact CG-CB 4.22Å; P2005-L2021 HydrophobicContact CG-CD1 4.29Å; F2017-L2021 HydrophobicContact CE1-CD2 4.46Å; F2017-L2021 VanDerWaalsContact O-CB 3.25Å; F2017-L2021 WeakPolarHBondContact O-CB 3.35Å; F2017-L2021 PolarHBondContact O-N 3.11Å; A2018-L2021 PolarHBondContact O-N 3.36Å; L2021-G2024 CarbonylContact O-C 3.6Å; L2021-G2024 PolarHBondContact O-N 2.91Å; L2021-L2025 HydrophobicContact CD1-CD1 4.33Å; L2021-L2025 HydrophobicContact CD1-CG 4.21Å; L2021-L2025 HydrophobicContact CG-CD1 4Å; L2021-L2025 HydrophobicContact CG-CG 4.31Å; L2021-L2025 WeakPolarHBondContact O-CB 3.32Å; L2021-L2025 WeakPolarHBondContact O-CG 3.16Å; L2021-L2025 PolarHBondContact O-N 3.33Å
2022	G	48.1	Very low	48.7	Very low	22 Å²	22	29.2 Å²	29.2	23%	0.227	17%	0.171	C	C	.	.	H	α-helix	trans	-58	-57.7	171.8	0	0	0	0	0	112.5	A2018 K2019 G2024 L2025 I2026	A2018-G2022 PolarHBondContact O-N 3.37Å; K2019-G2022 PolarHBondContact O-N 2.96Å; G2022-G2024 PolarHBondContact O-N 3.28Å; G2022-L2025 PolarHBondContact O-N 2.93Å; G2022-I2026 WeakPolarHBondContact O-CB 3.33Å; G2022-I2026 WeakPolarHBondContact O-CD1 3.43Å; G2022-I2026 WeakPolarHBondContact O-CG1 3.5Å; G2022-I2026 PolarHBondContact O-N 2.74Å
2023	K	57.5	Low	48.6	Very low	66 Å²	66	28.3 Å²	28.3	29%	0.287	17%	0.172	S	C	.	.	H	α-helix	trans	-59.3	-27.8	175	-70.6	171.9	-178.2	177.7	0	112.8	K2004 K2019 G2027 R2031	K2004-K2023 HydrophobicContact CB-CB 4.45Å; K2004-K2023 HydrophobicContact CD-CB 4.48Å; K2004-K2023 HydrophobicContact CG-CB 4.46Å; K2019-K2023 WeakPolarHBondContact O-CB 3.37Å; K2019-K2023 VanDerWaalsContact O-CG 3.29Å; K2019-K2023 WeakPolarHBondContact O-CG 3.49Å; K2019-K2023 PolarHBondContact O-N 3.14Å; K2023-G2027 VanDerWaalsContact O-CA 3.28Å; K2023-G2027 WeakPolarHBondContact O-CA 3.16Å; K2023-G2027 PolarHBondContact O-N 2.94Å; K2023-R2031 PolarHBondContact O-NH2 2.81Å
2024	G	55.9	Low	48.8	Very low	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-74.8	-48.1	175.3	0	0	0	0	0	112.6	G2000 G2020 L2021 G2022 G2027 M2028	G2000-G2024 WeakPolarHBondContact O-CA 3.19Å; G2020-G2024 WeakPolarHBondContact O-CA 3.21Å; G2020-G2024 PolarHBondContact O-N 2.91Å; L2021-G2024 CarbonylContact O-C 3.6Å; L2021-G2024 PolarHBondContact O-N 2.91Å; G2022-G2024 PolarHBondContact O-N 3.28Å; G2024-G2027 CarbonylContact O-C 3.53Å; G2024-G2027 WeakPolarHBondContact O-CA 3.44Å; G2024-G2027 PolarHBondContact O-N 3.27Å; G2024-M2028 WeakPolarHBondContact O-CB 3.46Å; G2024-M2028 PolarHBondContact O-N 3.14Å
2025	L	49.3	Very low	49.3	Very low	34 Å²	34	25.1 Å²	25.1	18%	0.178	14%	0.142	C	C	.	.	H	α-helix	trans	-67.9	-49.8	178.4	-69.8	171.9	0	0	0	111.6	L177 V2001 L2021 G2022 G2027 M2028 V2029	L177-L2025 HydrophobicContact CD2-CD2 3.28Å; V2001-L2025 HydrophobicContact CG1-CD2 4.12Å; L2021-L2025 HydrophobicContact CD1-CD1 4.33Å; L2021-L2025 HydrophobicContact CD1-CG 4.21Å; L2021-L2025 HydrophobicContact CG-CD1 4Å; L2021-L2025 HydrophobicContact CG-CG 4.31Å; L2021-L2025 WeakPolarHBondContact O-CB 3.32Å; L2021-L2025 WeakPolarHBondContact O-CG 3.16Å; L2021-L2025 PolarHBondContact O-N 3.33Å; G2022-L2025 PolarHBondContact O-N 2.93Å; L2025-G2027 PolarHBondContact O-N 3.5Å; L2025-M2028 HydrophobicContact CD2-CE 3.83Å; L2025-M2028 PolarHBondContact O-N 2.76Å; L2025-M2028 VanDerWaalsContact O-N 3.16Å; L2025-V2029 PolarHBondContact O-N 2.97Å
2026	I	49.3	Very low	49.8	Very low	37 Å²	37	25.6 Å²	25.6	19%	0.19	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-42.2	171.2	-64.5	156.9	0	0	0	108.9	L1958 M1960 G2022 M2028 V2029 T2030	L1958-I2026 VanDerWaalsContact O-CG2 3.23Å; L1958-I2026 WeakPolarHBondContact O-CG2 3.28Å; M1960-I2026 HydrophobicContact CB-CD1 4.27Å; M1960-I2026 HydrophobicContact CB-CG2 4.12Å; M1960-I2026 HydrophobicContact CG-CD1 4.4Å; M1960-I2026 HydrophobicContact CG-CG2 4.12Å; M1960-I2026 HydrophobicContact SD-CD1 3.57Å; M1960-I2026 VanDerWaalsContact SD-CD1 3.57Å; M1960-I2026 HydrophobicContact SD-CG1 4.35Å; M1960-I2026 HydrophobicContact SD-CG2 4.36Å; G2022-I2026 WeakPolarHBondContact O-CB 3.33Å; G2022-I2026 WeakPolarHBondContact O-CD1 3.43Å; G2022-I2026 WeakPolarHBondContact O-CG1 3.5Å; G2022-I2026 PolarHBondContact O-N 2.74Å; I2026-M2028 PolarHBondContact O-N 2.83Å; I2026-V2029 PolarHBondContact O-N 2.86Å; I2026-T2030 HydrophobicContact CG2-CG2 4.31Å; I2026-T2030 WeakPolarHBondContact O-CB 3Å; I2026-T2030 WeakPolarHBondContact O-CG2 3.25Å; I2026-T2030 PolarHBondContact O-N 2.85Å; I2026-T2030 PolarHBondContact O-OG1 2.82Å
2027	G	48.1	Very low	50	Low	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.9	-42.8	174.5	0	0	0	0	0	113.8	K2023 G2024 L2025 V2029 T2030 R2031 P2032	K2023-G2027 VanDerWaalsContact O-CA 3.28Å; K2023-G2027 WeakPolarHBondContact O-CA 3.16Å; K2023-G2027 PolarHBondContact O-N 2.94Å; G2024-G2027 CarbonylContact O-C 3.53Å; G2024-G2027 WeakPolarHBondContact O-CA 3.44Å; G2024-G2027 PolarHBondContact O-N 3.27Å; L2025-G2027 PolarHBondContact O-N 3.5Å; G2027-V2029 VanDerWaalsContact C-N 3.33Å; G2027-V2029 PolarHBondContact O-N 3.24Å; G2027-T2030 PolarHBondContact O-N 2.9Å; G2027-R2031 WeakPolarHBondContact O-CA 3.31Å; G2027-R2031 WeakPolarHBondContact O-CB 3.23Å; G2027-R2031 VanDerWaalsContact O-CG 3.31Å; G2027-R2031 WeakPolarHBondContact O-CG 3.16Å; G2027-R2031 PolarHBondContact O-N 2.84Å; G2027-P2032 WeakPolarHBondContact O-CD 3.15Å
2028	M	49.8	Very low	49.9	Very low	18 Å²	18	24.8 Å²	24.8	9%	0.089	15%	0.146	C	C	.	.	H	α-helix	trans	-68.1	-30.8	-179.4	176.9	-179.3	63.8	0	0	112.9	L177 M205 V2001 G2024 L2025 I2026 P2032	L177-M2028 HydrophobicContact CD1-CE 4.01Å; L177-M2028 HydrophobicContact CD1-SD 4.17Å; L177-M2028 HydrophobicContact CD2-CE 4.06Å; M205-M2028 HydrophobicContact CE-CE 3.58Å; M205-M2028 HydrophobicContact CE-SD 4.2Å; M205-M2028 HydrophobicContact SD-CE 3.53Å; M205-M2028 VanDerWaalsContact SD-CE 3.53Å; M205-M2028 HydrophobicContact SD-CG 4.31Å; M205-M2028 HydrophobicContact SD-SD 3.48Å; V2001-M2028 HydrophobicContact CG2-CB 3.59Å; V2001-M2028 HydrophobicContact CG2-CE 4.41Å; V2001-M2028 HydrophobicContact CG2-CG 3.99Å; V2001-M2028 HydrophobicContact CG2-SD 3.58Å; V2001-M2028 VanDerWaalsContact CG2-SD 3.58Å; G2024-M2028 WeakPolarHBondContact O-CB 3.46Å; G2024-M2028 PolarHBondContact O-N 3.14Å; L2025-M2028 HydrophobicContact CD2-CE 3.83Å; L2025-M2028 PolarHBondContact O-N 2.76Å; L2025-M2028 VanDerWaalsContact O-N 3.16Å; I2026-M2028 PolarHBondContact O-N 2.83Å; M2028-P2032 WeakPolarHBondContact O-CD 3.25Å; M2028-P2032 WeakPolarHBondContact O-CG 3.16Å
2029	V	46.6	Very low	50	Low	42 Å²	42	24.8 Å²	24.8	26%	0.255	14%	0.139	S	C	.	.	H	α-helix	trans	-77.5	-51.9	171.7	179	0	0	0	0	110.2	F208 L2025 I2026 G2027 V2033	F208-V2029 HydrophobicContact CE1-CG1 3.92Å; F208-V2029 HydrophobicContact CE1-CG2 4.01Å; F208-V2029 HydrophobicContact CE2-CG2 3.52Å; F208-V2029 HydrophobicContact CZ-CB 4.04Å; F208-V2029 HydrophobicContact CZ-CG1 3.56Å; F208-V2029 HydrophobicContact CZ-CG2 3.24Å; L2025-V2029 PolarHBondContact O-N 2.97Å; I2026-V2029 PolarHBondContact O-N 2.86Å; G2027-V2029 VanDerWaalsContact C-N 3.33Å; G2027-V2029 PolarHBondContact O-N 3.24Å; V2029-V2033 VanDerWaalsContact O-CG2 3.23Å; V2029-V2033 WeakPolarHBondContact O-CG2 3.48Å
2030	T	49.1	Very low	49.9	Very low	13 Å²	13	25.3 Å²	25.3	8%	0.08	15%	0.147	C	C	.	.	H	α-helix	trans	-90.7	-29.8	-163.4	60.6	0	0	0	0	114.2	L1958 T1959 I2026 G2027 S2034	L1958-T2030 HydrophobicContact CB-CG2 3.94Å; T1959-T2030 WeakPolarHBondContact CA-OG1 3.14Å; T1959-T2030 WeakPolarHBondContact CG2-OG1 3.47Å; I2026-T2030 HydrophobicContact CG2-CG2 4.31Å; I2026-T2030 WeakPolarHBondContact O-CB 3Å; I2026-T2030 WeakPolarHBondContact O-CG2 3.25Å; I2026-T2030 PolarHBondContact O-N 2.85Å; I2026-T2030 PolarHBondContact O-OG1 2.82Å; G2027-T2030 PolarHBondContact O-N 2.9Å; T2030-S2034 WeakPolarHBondContact O-CA 3.28Å; T2030-S2034 WeakPolarHBondContact O-CB 3.3Å; T2030-S2034 PolarHBondContact O-N 3.33Å
2031	R	59.4	Low	49.4	Very low	3 Å²	3	25.4 Å²	25.4	1%	0.011	15%	0.148	C	C	.	.	H	α-helix	trans	-79	-41.1	-178.9	-56.5	170	-172.2	166.9	3.6	112.6	D1961 Y1964 G1993 D1996 K2023 G2027 S2034 G2035	D1961-R2031 IonicContact OD2-CZ 2.73Å; D1961-R2031 IonicContact OD2-NH2 3.3Å; D1961-R2031 PolarHBondContact OD2-NH2 3.25Å; Y1964-R2031 HydrophobicContact CD1-CG 4.42Å; Y1964-R2031 HydrophobicContact CD2-CG 4.16Å; Y1964-R2031 HydrophobicContact CE1-CG 4.11Å; Y1964-R2031 HydrophobicContact CE2-CB 4.24Å; Y1964-R2031 HydrophobicContact CE2-CG 3.82Å; Y1964-R2031 HydrophobicContact CG-CG 4.45Å; G1993-R2031 VanDerWaalsContact C-C 3.44Å; G1993-R2031 CarbonylContact C-O 3.59Å; G1993-R2031 WeakPolarHBondContact CA-O 3.48Å; G1993-R2031 CarbonylContact O-C 3.55Å; G1993-R2031 WeakPolarHBondContact O-CB 3.45Å; D1996-R2031 WeakPolarHBondContact O-CD 3.31Å; D1996-R2031 PolarHBondContact O-NH1 3.29Å; K2023-R2031 PolarHBondContact O-NH2 2.81Å; G2027-R2031 WeakPolarHBondContact O-CA 3.31Å; G2027-R2031 WeakPolarHBondContact O-CB 3.23Å; G2027-R2031 VanDerWaalsContact O-CG 3.31Å; G2027-R2031 WeakPolarHBondContact O-CG 3.16Å; G2027-R2031 PolarHBondContact O-N 2.84Å; R2031-S2034 CarbonylContact O-C 3.52Å; R2031-S2034 PolarHBondContact O-N 2.81Å; R2031-G2035 WeakPolarHBondContact O-CA 3.4Å; R2031-G2035 PolarHBondContact O-N 3.02Å
2032	P	48.3	Very low	49	Very low	22 Å²	22	24.8 Å²	24.8	14%	0.143	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-43.5	172.7	-25.9	38	0	0	0	111.5	G1993 V1994 G2027 M2028 G2035 V2036	G1993-P2032 VanDerWaalsContact O-N 3.15Å; V1994-P2032 HydrophobicContact CG2-CB 4.25Å; G2027-P2032 WeakPolarHBondContact O-CD 3.15Å; M2028-P2032 WeakPolarHBondContact O-CD 3.25Å; M2028-P2032 WeakPolarHBondContact O-CG 3.16Å; P2032-G2035 PolarHBondContact O-N 2.79Å; P2032-V2036 WeakPolarHBondContact O-CB 3.45Å; P2032-V2036 WeakPolarHBondContact O-CG2 3.45Å; P2032-V2036 PolarHBondContact O-N 3.01Å
2033	V	45.6	Very low	48.8	Very low	67 Å²	67	24.6 Å²	24.6	41%	0.406	14%	0.141	S	C	.	.	H	α-helix	trans	-63.5	-44.6	173.9	178	0	0	0	0	111	I1955 V2029 G2035 V2036 V2037	I1955-V2033 HydrophobicContact CD1-CG1 3.98Å; I1955-V2033 HydrophobicContact CG2-CG1 4.25Å; V2029-V2033 VanDerWaalsContact O-CG2 3.23Å; V2029-V2033 WeakPolarHBondContact O-CG2 3.48Å; V2033-G2035 VanDerWaalsContact C-N 3.29Å; V2033-G2035 PolarHBondContact O-N 3.05Å; V2033-V2036 PolarHBondContact O-N 2.95Å; V2033-V2037 HydrophobicContact CG1-CG2 4.28Å; V2033-V2037 VanDerWaalsContact O-CB 3.29Å; V2033-V2037 WeakPolarHBondContact O-CB 3.48Å; V2033-V2037 VanDerWaalsContact O-CG2 3.23Å; V2033-V2037 WeakPolarHBondContact O-CG2 3.48Å; V2033-V2037 PolarHBondContact O-N 3.05Å
2034	S	49.2	Very low	47.9	Very low	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-39.5	172.4	178.1	0	0	0	0	112.2	Y1964 R1968 T2030 R2031 D2038	Y1964-S2034 PolarHBondContact OH-OG 2.74Å; R1968-S2034 PolarHBondContact NE-OG 2.8Å; R1968-S2034 PolarHBondContact NH1-OG 2.7Å; T2030-S2034 WeakPolarHBondContact O-CA 3.28Å; T2030-S2034 WeakPolarHBondContact O-CB 3.3Å; T2030-S2034 PolarHBondContact O-N 3.33Å; R2031-S2034 CarbonylContact O-C 3.52Å; R2031-S2034 PolarHBondContact O-N 2.81Å; S2034-D2038 WeakPolarHBondContact O-CB 3.37Å; S2034-D2038 PolarHBondContact O-N 2.84Å
2035	G	47.7	Very low	47.3	Very low	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.1	-42.4	180	0	0	0	0	0	112.2	G1989 A1990 R2031 P2032 V2033 F2039	G1989-G2035 WeakPolarHBondContact O-CA 3.27Å; A1990-G2035 WeakPolarHBondContact CA-O 3.36Å; R2031-G2035 WeakPolarHBondContact O-CA 3.4Å; R2031-G2035 PolarHBondContact O-N 3.02Å; P2032-G2035 PolarHBondContact O-N 2.79Å; V2033-G2035 VanDerWaalsContact C-N 3.29Å; V2033-G2035 PolarHBondContact O-N 3.05Å; G2035-F2039 WeakPolarHBondContact O-CA 3.4Å; G2035-F2039 WeakPolarHBondContact O-CB 3.42Å; G2035-F2039 PolarHBondContact O-N 2.73Å
2036	V	47.5	Very low	46.9	Very low	45 Å²	45	25.1 Å²	25.1	27%	0.273	15%	0.147	S	C	.	.	H	α-helix	trans	-71.2	-36.2	175.9	173.9	0	0	0	0	111.3	F464 V1994 P2032 V2033 F2039 A2040	F464-V2036 HydrophobicContact CE1-CG2 3.98Å; F464-V2036 HydrophobicContact CZ-CG2 3.83Å; V1994-V2036 HydrophobicContact CG2-CG2 4.43Å; P2032-V2036 WeakPolarHBondContact O-CB 3.45Å; P2032-V2036 WeakPolarHBondContact O-CG2 3.45Å; P2032-V2036 PolarHBondContact O-N 3.01Å; V2033-V2036 PolarHBondContact O-N 2.95Å; V2036-F2039 PolarHBondContact O-N 3.14Å; V2036-A2040 VanDerWaalsContact O-CB 3.29Å; V2036-A2040 WeakPolarHBondContact O-CB 3.39Å; V2036-A2040 PolarHBondContact O-N 3.49Å
2037	V	49.3	Very low	46.4	Very low	22 Å²	22	26.5 Å²	26.5	13%	0.133	16%	0.157	C	C	.	.	H	α-helix	trans	-72.7	-40.2	174.4	171.8	0	0	0	0	111.9	T1948 V2033 S2041	T1948-V2037 WeakPolarHBondContact O-CG1 3.45Å; V2033-V2037 HydrophobicContact CG1-CG2 4.28Å; V2033-V2037 VanDerWaalsContact O-CB 3.29Å; V2033-V2037 WeakPolarHBondContact O-CB 3.48Å; V2033-V2037 VanDerWaalsContact O-CG2 3.23Å; V2033-V2037 WeakPolarHBondContact O-CG2 3.48Å; V2033-V2037 PolarHBondContact O-N 3.05Å; V2037-S2041 VanDerWaalsContact O-CB 3.31Å; V2037-S2041 WeakPolarHBondContact O-CB 3.2Å; V2037-S2041 PolarHBondContact O-N 3.11Å; V2037-S2041 PolarHBondContact O-OG 2.91Å
2038	D	49.5	Very low	46	Very low	29 Å²	29	28.5 Å²	28.5	16%	0.155	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-40.9	170.9	-82.4	-9	0	0	0	110.5	R1968 S2034 S2041 S2042	R1968-D2038 IonicContact CZ-OD1 2.8Å; R1968-D2038 IonicContact CZ-OD2 3.51Å; R1968-D2038 IonicContact NE-OD1 2.72Å; R1968-D2038 IonicContact NE-OD2 2.79Å; R1968-D2038 PolarHBondContact NE-OD2 2.78Å; R1968-D2038 VanDerWaalsContact NH2-CG 3.33Å; R1968-D2038 IonicContact NH2-OD1 3.91Å; R1968-D2038 PolarHBondContact NH2-OD1 2.87Å; R1968-D2038 IonicContact NH2-OD2 2.75Å; R1968-D2038 PolarHBondContact NH2-OD2 2.97Å; S2034-D2038 WeakPolarHBondContact O-CB 3.37Å; S2034-D2038 PolarHBondContact O-N 2.84Å; D2038-S2041 PolarHBondContact O-OG 3.04Å; D2038-S2042 WeakPolarHBondContact O-CB 3.31Å; D2038-S2042 PolarHBondContact O-N 3.06Å; D2038-S2042 PolarHBondContact O-OG 3.12Å
2039	F	48.4	Very low	45.4	Very low	40 Å²	40	29.1 Å²	29.1	18%	0.175	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-51.2	174.9	174.5	-102.3	0	0	0	111.7	F490 A1990 G2035 V2036 S2043	F490-F2039 HydrophobicContact CD1-CE2 4.48Å; F490-F2039 AromaticContact CE1-CE2 3.63Å; F490-F2039 HydrophobicContact CE1-CE2 3.63Å; F490-F2039 AromaticContact CE1-CZ 3.53Å; F490-F2039 HydrophobicContact CE1-CZ 3.53Å; F490-F2039 AromaticContact CE2-CE2 3.9Å; F490-F2039 HydrophobicContact CE2-CE2 3.9Å; F490-F2039 HydrophobicContact CE2-CZ 4.16Å; F490-F2039 HydrophobicContact CZ-CD2 4.45Å; F490-F2039 HydrophobicContact CZ-CE1 4.25Å; F490-F2039 AromaticContact CZ-CE2 3.29Å; F490-F2039 HydrophobicContact CZ-CE2 3.29Å; F490-F2039 AromaticContact CZ-CZ 3.18Å; F490-F2039 HydrophobicContact CZ-CZ 3.18Å; A1990-F2039 HydrophobicContact CB-CB 3.74Å; A1990-F2039 HydrophobicContact CB-CD2 3.88Å; A1990-F2039 HydrophobicContact CB-CG 4.01Å; G2035-F2039 WeakPolarHBondContact O-CA 3.4Å; G2035-F2039 WeakPolarHBondContact O-CB 3.42Å; G2035-F2039 PolarHBondContact O-N 2.73Å; V2036-F2039 PolarHBondContact O-N 3.14Å; F2039-S2043 WeakPolarHBondContact CD2-OG 3.2Å; F2039-S2043 WeakPolarHBondContact CE2-OG 3.35Å; F2039-S2043 WeakPolarHBondContact CZ-OG 3.5Å; F2039-S2043 WeakPolarHBondContact O-CB 3.23Å; F2039-S2043 PolarHBondContact O-N 2.78Å; F2039-S2043 PolarHBondContact O-OG 2.91Å
2040	A	43.2	Very low	44.9	Very low	35 Å²	35	29.5 Å²	29.5	29%	0.289	17%	0.165	S	C	.	.	H	α-helix	trans	-61.2	-52.2	178.9	0	0	0	0	0	110.7	V2036 S2042 L2044	V2036-A2040 VanDerWaalsContact O-CB 3.29Å; V2036-A2040 WeakPolarHBondContact O-CB 3.39Å; V2036-A2040 PolarHBondContact O-N 3.49Å; A2040-S2042 PolarHBondContact O-N 3.05Å; A2040-L2044 VanDerWaalsContact O-CB 3.22Å; A2040-L2044 WeakPolarHBondContact O-CB 3.34Å; A2040-L2044 WeakPolarHBondContact O-CD1 3.48Å; A2040-L2044 WeakPolarHBondContact O-CG 3.1Å; A2040-L2044 PolarHBondContact O-N 2.86Å
2041	S	42.7	Very low	44	Very low	5 Å²	5	33.9 Å²	33.9	4%	0.035	19%	0.191	C	C	.	.	H	α-helix	trans	-65.1	-39.9	-178.3	61.1	0	0	0	0	113	V2037 D2038 E2045	V2037-S2041 VanDerWaalsContact O-CB 3.31Å; V2037-S2041 WeakPolarHBondContact O-CB 3.2Å; V2037-S2041 PolarHBondContact O-N 3.11Å; V2037-S2041 PolarHBondContact O-OG 2.91Å; D2038-S2041 PolarHBondContact O-OG 3.04Å; S2041-E2045 WeakPolarHBondContact O-CB 3.41Å; S2041-E2045 VanDerWaalsContact O-CG 3.26Å; S2041-E2045 WeakPolarHBondContact O-CG 3.32Å; S2041-E2045 PolarHBondContact O-N 2.78Å
2042	S	44.9	Very low	42.8	Very low	21 Å²	21	36.4 Å²	36.4	15%	0.147	21%	0.205	C	C	.	.	H	α-helix	trans	-82.8	-28.8	-178.9	66	0	0	0	0	114.3	G1986 D2038 A2040 A2046	G1986-S2042 WeakPolarHBondContact CA-OG 3.43Å; D2038-S2042 WeakPolarHBondContact O-CB 3.31Å; D2038-S2042 PolarHBondContact O-N 3.06Å; D2038-S2042 PolarHBondContact O-OG 3.12Å; A2040-S2042 PolarHBondContact O-N 3.05Å; S2042-A2046 WeakPolarHBondContact O-CB 3.47Å; S2042-A2046 PolarHBondContact O-N 2.79Å
2043	S	42.7	Very low	42	Very low	17 Å²	17	37.5 Å²	37.5	12%	0.119	21%	0.211	C	C	.	.	H	α-helix	trans	-72.6	-39	170.8	-59.4	0	0	0	0	110.7	F2039 A2046 V2047	F2039-S2043 WeakPolarHBondContact CD2-OG 3.2Å; F2039-S2043 WeakPolarHBondContact CE2-OG 3.35Å; F2039-S2043 WeakPolarHBondContact CZ-OG 3.5Å; F2039-S2043 WeakPolarHBondContact O-CB 3.23Å; F2039-S2043 PolarHBondContact O-N 2.78Å; F2039-S2043 PolarHBondContact O-OG 2.91Å; S2043-A2046 PolarHBondContact O-N 3.27Å; S2043-V2047 WeakPolarHBondContact O-CB 3.19Å; S2043-V2047 VanDerWaalsContact O-CG2 3.31Å; S2043-V2047 WeakPolarHBondContact O-CG2 3.37Å; S2043-V2047 PolarHBondContact O-N 2.86Å
2044	L	38.6	Very low	41.1	Very low	69 Å²	69	36.9 Å²	36.9	36%	0.361	21%	0.209	S	C	.	.	H	α-helix	trans	-65.8	-40	170.1	-68.4	170.9	0	0	0	111.7	A2040 K2048	A2040-L2044 VanDerWaalsContact O-CB 3.22Å; A2040-L2044 WeakPolarHBondContact O-CB 3.34Å; A2040-L2044 WeakPolarHBondContact O-CD1 3.48Å; A2040-L2044 WeakPolarHBondContact O-CG 3.1Å; A2040-L2044 PolarHBondContact O-N 2.86Å; L2044-K2048 WeakPolarHBondContact O-CB 3.34Å; L2044-K2048 PolarHBondContact O-N 2.62Å
2045	E	43.7	Very low	40.1	Very low	38 Å²	38	38.4 Å²	38.4	18%	0.178	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-40.6	170.3	-81.1	176	174.9	0	0	112.2	K588 I592 S2041 K2049	K588-E2045 WeakPolarHBondContact CD-OE1 3.27Å; K588-E2045 WeakPolarHBondContact CE-OE1 3.28Å; K588-E2045 IonicContact NZ-OE1 2.64Å; K588-E2045 PolarHBondContact NZ-OE1 3.34Å; K588-E2045 IonicContact NZ-OE2 3.92Å; K588-E2045 PolarHBondContact NZ-OE2 2.88Å; I592-E2045 HydrophobicContact CD1-CB 4.39Å; I592-E2045 HydrophobicContact CD1-CG 3.91Å; S2041-E2045 WeakPolarHBondContact O-CB 3.41Å; S2041-E2045 VanDerWaalsContact O-CG 3.26Å; S2041-E2045 WeakPolarHBondContact O-CG 3.32Å; S2041-E2045 PolarHBondContact O-N 2.78Å; E2045-K2049 WeakPolarHBondContact O-CB 3.49Å; E2045-K2049 PolarHBondContact O-N 2.9Å
2046	A	42	Very low	39	Very low	5 Å²	5	40.4 Å²	40.4	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-70.3	-45.5	-179.3	0	0	0	0	0	112.5	L1979 I1983 S2042 S2043 K2049 Y2050	L1979-A2046 HydrophobicContact CD1-CB 3.96Å; L1979-A2046 VanDerWaalsContact CD1-O 3.29Å; L1979-A2046 WeakPolarHBondContact CD1-O 3.28Å; I1983-A2046 HydrophobicContact CG1-CB 3.82Å; S2042-A2046 WeakPolarHBondContact O-CB 3.47Å; S2042-A2046 PolarHBondContact O-N 2.79Å; S2043-A2046 PolarHBondContact O-N 3.27Å; A2046-K2049 WeakPolarHBondContact O-CA 3.04Å; A2046-K2049 WeakPolarHBondContact O-CB 3.42Å; A2046-K2049 PolarHBondContact O-N 3.05Å; A2046-K2049 VanDerWaalsContact O-N 3.12Å; A2046-Y2050 PolarHBondContact O-N 3.45Å; A2046-Y2050 VanDerWaalsContact O-N 3.11Å
2047	V	39.1	Very low	38.1	Very low	66 Å²	66	41.5 Å²	41.5	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-60.6	-47.2	173.1	170.5	0	0	0	0	109.9	S2043 K2049 Y2050 T2051	S2043-V2047 WeakPolarHBondContact O-CB 3.19Å; S2043-V2047 VanDerWaalsContact O-CG2 3.31Å; S2043-V2047 WeakPolarHBondContact O-CG2 3.37Å; S2043-V2047 PolarHBondContact O-N 2.86Å; V2047-K2049 PolarHBondContact O-N 2.83Å; V2047-Y2050 PolarHBondContact O-N 3.24Å; V2047-T2051 HydrophobicContact CG1-CG2 4.12Å; V2047-T2051 PolarHBondContact O-N 3.12Å; V2047-T2051 PolarHBondContact O-OG1 3.27Å; V2047-T2051 VanDerWaalsContact O-OG1 3.12Å
2048	K	38	Very low	36.9	Very low	41 Å²	41	46.6 Å²	46.6	18%	0.178	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-28.6	174.2	-177	168.2	177.3	170.7	0	113.2	G1938 L2044 N2052	G1938-K2048 PolarHBondContact O-NZ 2.74Å; L2044-K2048 WeakPolarHBondContact O-CB 3.34Å; L2044-K2048 PolarHBondContact O-N 2.62Å; K2048-N2052 PolarHBondContact O-ND2 2.7Å
2049	K	38.6	Very low	35.8	Very low	31 Å²	31	51.8 Å²	51.8	14%	0.135	29%	0.289	C	S	.	.	H	α-helix	trans	-73.3	-29.4	174.3	-151.7	-177.2	-178.9	-170.5	0	112.6	I592 K595 S596 A1977 E2045 A2046 V2047	I592-K2049 HydrophobicContact CG2-CG 4.37Å; K595-K2049 PolarHBondContact O-NZ 3.27Å; S596-K2049 VanDerWaalsContact CA-CE 3.47Å; S596-K2049 WeakPolarHBondContact OG-CE 3.39Å; S596-K2049 WeakPolarHBondContact OG-CG 3.32Å; A1977-K2049 PolarHBondContact O-NZ 2.58Å; E2045-K2049 WeakPolarHBondContact O-CB 3.49Å; E2045-K2049 PolarHBondContact O-N 2.9Å; A2046-K2049 WeakPolarHBondContact O-CA 3.04Å; A2046-K2049 WeakPolarHBondContact O-CB 3.42Å; A2046-K2049 PolarHBondContact O-N 3.05Å; A2046-K2049 VanDerWaalsContact O-N 3.12Å; V2047-K2049 PolarHBondContact O-N 2.83Å
2050	Y	34.6	Very low	34.6	Very low	51 Å²	51	56.9 Å²	56.9	20%	0.2	32%	0.317	C	S	.	.	H	α-helix	trans	-95.9	-33.6	-176.2	-135.9	-118.9	0	0	0	114.7	I547 M610 V612 L1979 A2046 V2047 N2052	I547-Y2050 HydrophobicContact CD1-CD1 4.22Å; I547-Y2050 HydrophobicContact CD1-CE1 3.85Å; M610-Y2050 VanDerWaalsContact CE-OH 3.28Å; M610-Y2050 WeakPolarHBondContact CE-OH 3.43Å; M610-Y2050 HydrophobicContact SD-CE1 4.1Å; M610-Y2050 PolarHBondContact SD-OH 2.82Å; V612-Y2050 HydrophobicContact CG2-CE1 4.38Å; L1979-Y2050 HydrophobicContact CB-CD2 3.59Å; L1979-Y2050 HydrophobicContact CB-CE2 3.83Å; L1979-Y2050 HydrophobicContact CB-CG 4.31Å; L1979-Y2050 HydrophobicContact CD1-CD2 4.14Å; L1979-Y2050 HydrophobicContact CD1-CG 4.14Å; L1979-Y2050 HydrophobicContact CD2-CD1 3.56Å; L1979-Y2050 HydrophobicContact CD2-CD2 3.51Å; L1979-Y2050 HydrophobicContact CD2-CE1 3.91Å; L1979-Y2050 HydrophobicContact CD2-CE2 3.89Å; L1979-Y2050 HydrophobicContact CD2-CG 3.36Å; L1979-Y2050 HydrophobicContact CG-CD2 3.9Å; L1979-Y2050 HydrophobicContact CG-CE2 4.41Å; L1979-Y2050 HydrophobicContact CG-CG 4.1Å; A2046-Y2050 PolarHBondContact O-N 3.45Å; A2046-Y2050 VanDerWaalsContact O-N 3.11Å; V2047-Y2050 PolarHBondContact O-N 3.24Å; Y2050-N2052 PolarHBondContact O-N 3.29Å
2051	T	31.2	Very low	33.7	Very low	104 Å²	104	62.1 Å²	62.1	64%	0.638	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-3.4	177.2	52.8	0	0	0	0	114.3	V2047	V2047-T2051 HydrophobicContact CG1-CG2 4.12Å; V2047-T2051 PolarHBondContact O-N 3.12Å; V2047-T2051 PolarHBondContact O-OG1 3.27Å; V2047-T2051 VanDerWaalsContact O-OG1 3.12Å
2052	N	34.5	Very low	32.8	Very low	56 Å²	56	68.3 Å²	68.3	30%	0.299	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-11.5	-173.7	-77.1	-72.2	0	0	0	115.9	K2048 Y2050	K2048-N2052 PolarHBondContact O-ND2 2.7Å; Y2050-N2052 PolarHBondContact O-N 3.29Å
2053	V	31.6	Very low	31.8	Very low	45 Å²	45	77.2 Å²	77.2	27%	0.273	41%	0.408	S	S	.	.			trans	-145.5	122.3	-172	-156.2	0	0	0	0	115.6	L600	L600-V2053 HydrophobicContact CD1-CB 3.62Å; L600-V2053 HydrophobicContact CD1-CG1 3.38Å
2054	C	25.7	Very low	30.8	Very low	54 Å²	54	84.5 Å²	84.5	37%	0.365	43%	0.433	S	S	.	.			trans	-143	152.2	156.2	-96.2	0	0	0	0	108.1	F654	F654-C2054 HydrophobicContact CZ-CB 4.2Å
2055	P	28.2	Very low	30.2	Very low	32 Å²	32	90.9 Å²	90.9	21%	0.208	46%	0.458	C	S	.	.				-129.9	116.3	-83.1	22	-1.1	0	0	0	117.1	L600 F651	L600-P2055 HydrophobicContact CB-CB 4.2Å; L600-P2055 HydrophobicContact CD1-CB 4.26Å; L600-P2055 HydrophobicContact CD2-CB 4.27Å; L600-P2055 HydrophobicContact CG-CB 4.48Å; F651-P2055 HydrophobicContact CE2-CG 4.38Å; F651-P2055 HydrophobicContact CZ-CG 4.3Å
2056	S	25.9	Very low	29.3	Very low	42 Å²	42	96.2 Å²	96.2	29%	0.294	48%	0.477	S	S	.	.				56.7	148	125.8	55.5	0	0	0	0	125.9	L600 M604	L600-S2056 WeakPolarHBondContact CB-OG 3.48Å; M604-S2056 WeakPolarHBondContact CE-O 3.2Å; M604-S2056 PolarHBondContact SD-OG 3.3Å
2057	H	26.8	Very low	28.6	Very low	69 Å²	69	100.9 Å²	100.9	32%	0.319	52%	0.515	S	S	.	.			trans	62.5	119.2	135.5	-89.6	-98.3	0	0	0	125.9	S597 Q601	S597-H2057 WeakPolarHBondContact CB-NE2 3.46Å; S597-H2057 PolarHBondContact O-CD2 3.26Å; S597-H2057 PolarHBondContact OG-NE2 3.29Å; Q601-H2057 HydrophobicContact CB-CB 3.56Å; Q601-H2057 VanDerWaalsContact CB-CG 3.41Å; Q601-H2057 VanDerWaalsContact CD-CB 3.41Å; Q601-H2057 HydrophobicContact CG-CB 3.33Å; Q601-H2057 WeakPolarHBondContact CG-CD2 3.47Å; Q601-H2057 WeakPolarHBondContact CG-ND1 3.32Å; Q601-H2057 WeakPolarHBondContact CG-NE2 3.49Å; Q601-H2057 PolarHBondContact NE2-CD2 3.5Å; Q601-H2057 PolarHBondContact NE2-CE1 3.38Å; Q601-H2057 PolarHBondContact NE2-ND1 2.66Å; Q601-H2057 PolarHBondContact NE2-NE2 2.74Å; Q601-H2057 PolarHBondContact OE1-CD2 3.42Å; Q601-H2057 PolarHBondContact OE1-CE1 3.27Å; Q601-H2057 PolarHBondContact OE1-ND1 3.05Å; Q601-H2057 PolarHBondContact OE1-NE2 3.16Å
2058	D	24.5	Very low	27.9	Very low	129 Å²	129	101 Å²	101	69%	0.69	52%	0.523	S	S	*	.				85.4	143.4	122.9	-94.1	3.6	0	0	0	126.6
2059	L	26	Very low	27.4	Very low	138 Å²	138	105.7 Å²	105.7	72%	0.723	55%	0.55	S	S	*	*			trans	89.2	110.3	159.1	-71.8	159.1	0	0	0	121.2
2060	L	24.6	Very low	26.9	Very low	147 Å²	147	110.1 Å²	110.1	77%	0.77	58%	0.579	S	S	*	*			trans	81.2	119.3	146.5	-63.9	169	0	0	0	121.1
2061	I	24.2	Very low	26.9	Very low	144 Å²	144	111.7 Å²	111.7	74%	0.738	60%	0.598	S	S	*	*	S	Bend	trans	71.5	106	150.9	-55.4	167.1	0	0	0	117.8
2062	N	22.8	Very low	27.4	Very low	135 Å²	135	110.3 Å²	110.3	72%	0.722	58%	0.584	S	S	*	*			trans	43.2	75	150.2	-61.8	-27.3	0	0	0	119.7
2063	F	24.7	Very low	28.2	Very low	209 Å²	209	114.3 Å²	114.3	92%	0.917	60%	0.601	S	S	*	*			trans	-152.2	151.8	135.9	-103.9	-73.3	0	0	0	110.8
2064	R	21.9	Very low	29.7	Very low	170 Å²	170	114.9 Å²	114.9	64%	0.642	60%	0.604	S	S	*	*			trans	-110	110.8	-176.5	-81.5	-179.4	173.1	167.4	-0.7	111.2
2065	F	25.4	Very low	31.7	Very low	203 Å²	203	120.9 Å²	120.9	89%	0.89	62%	0.624	S	S	*	*			trans	-133.5	145	151.6	-78.5	-81.6	0	0	0	109.4
2066	R	25.8	Very low	33.9	Very low	150 Å²	150	122.5 Å²	122.5	57%	0.566	63%	0.626	S	S	*	*			trans	-120.8	92.4	-167.2	-76	178.7	160.6	-146.1	-17.8	110.9	A2068 E2072	R2066-A2068 PolarHBondContact O-N 3.39Å; R2066-E2072 IonicContact CZ-OE1 2.76Å; R2066-E2072 IonicContact NH1-OE1 2.92Å; R2066-E2072 PolarHBondContact NH1-OE1 2.98Å; R2066-E2072 VanDerWaalsContact NH1-OE1 3.13Å; R2066-E2072 IonicContact NH2-OE1 3.67Å; R2066-E2072 PolarHBondContact NH2-OE1 3.29Å
2067	A	25.7	Very low	36.4	Very low	102 Å²	102	123.6 Å²	123.6	84%	0.843	63%	0.628	S	S	*	*			trans	-52.1	133.2	158	0	0	0	0	0	108.8
2068	A	25.6	Very low	39.1	Very low	70 Å²	70	121.8 Å²	121.8	58%	0.579	62%	0.618	S	S	*	*			trans	-95.5	-8.2	-147.8	0	0	0	0	0	116.3	K1721 R2066	K1721-A2068 VanDerWaalsContact NZ-C 3.33Å; K1721-A2068 PolarHBondContact NZ-O 2.92Å; R2066-A2068 PolarHBondContact O-N 3.39Å
2069	D	27.6	Very low	41.9	Very low	139 Å²	139	117.1 Å²	117.1	74%	0.743	59%	0.593	S	S	*	*			trans	-87.6	159	-176.3	-95.5	-48.4	0	0	0	116
2070	V	28	Very low	44.5	Very low	124 Å²	124	111.6 Å²	111.6	75%	0.752	57%	0.566	S	S	*	*	S	Bend	trans	67.3	144.6	-176.3	-167.5	0	0	0	0	113.8
2071	S	34.9	Very low	47.2	Very low	83 Å²	83	106.6 Å²	106.6	58%	0.58	54%	0.537	S	S	*	.			trans	-75.5	149.2	-168.1	42.6	0	0	0	0	114.4	E2073	S2071-E2073 PolarHBondContact O-N 3.05Å
2072	E	41.4	Very low	49.9	Very low	76 Å²	76	104.9 Å²	104.9	36%	0.355	52%	0.522	S	S	.	.			trans	-65.4	98.7	168.6	-73.8	-170.8	162.1	0	0	108.8	R1643 P1718 R2066 V2074	R1643-E2072 IonicContact CZ-OE1 2.7Å; R1643-E2072 IonicContact CZ-OE2 3.23Å; R1643-E2072 IonicContact NH1-OE1 3.94Å; R1643-E2072 PolarHBondContact NH1-OE1 2.73Å; R1643-E2072 IonicContact NH1-OE2 2.68Å; R1643-E2072 PolarHBondContact NH1-OE2 3.17Å; R1643-E2072 IonicContact NH2-OE1 2.75Å; R1643-E2072 IonicContact NH2-OE2 2.94Å; R1643-E2072 PolarHBondContact NH2-OE2 3.48Å; P1718-E2072 HydrophobicContact CB-CB 4.22Å; P1718-E2072 WeakPolarHBondContact CG-O 3.46Å; R2066-E2072 IonicContact CZ-OE1 2.76Å; R2066-E2072 IonicContact NH1-OE1 2.92Å; R2066-E2072 PolarHBondContact NH1-OE1 2.98Å; R2066-E2072 VanDerWaalsContact NH1-OE1 3.13Å; R2066-E2072 IonicContact NH2-OE1 3.67Å; R2066-E2072 PolarHBondContact NH2-OE1 3.29Å; E2072-V2074 PolarHBondContact O-N 2.89Å
2073	E	50.4	Low	52.4	Low	139 Å²	139	100.1 Å²	100.1	65%	0.65	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-60	132	178.2	-77.3	-144.6	119.8	0	0	112.2	K1765 S2071 K2075	K1765-E2073 IonicContact NZ-OE1 3.57Å; K1765-E2073 PolarHBondContact NZ-OE1 2.93Å; S2071-E2073 PolarHBondContact O-N 3.05Å; E2073-K2075 PolarHBondContact O-N 3.23Å
2074	V	63.2	Low	54.6	Low	57 Å²	57	90.7 Å²	90.7	35%	0.345	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-76.2	122	-179.2	-172.4	0	0	0	0	109.7	T1712 A1715 P1718 E2072	T1712-V2074 HydrophobicContact CG2-CB 4.26Å; T1712-V2074 HydrophobicContact CG2-CG1 4.05Å; T1712-V2074 PolarHBondContact OG1-O 2.73Å; A1715-V2074 HydrophobicContact CB-CB 4.06Å; A1715-V2074 HydrophobicContact CB-CG1 3.8Å; A1715-V2074 HydrophobicContact CB-CG2 3.9Å; P1718-V2074 HydrophobicContact CG-CG2 4.33Å; E2072-V2074 PolarHBondContact O-N 2.89Å
2075	K	69	Low	56.9	Low	180 Å²	180	92.1 Å²	92.1	78%	0.783	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-86.1	147.3	-179.9	-61.3	-179.6	-178	179.5	0	111.4	Q1700 E2073	Q1700-K2075 PolarHBondContact NE2-O 3.49Å; E2073-K2075 PolarHBondContact O-N 3.23Å
2076	R	73.9	Confident	59.2	Low	67 Å²	67	86 Å²	86	25%	0.253	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-54.2	140.3	168.2	66.4	179.6	175.2	-175	-1	111.8	D1702 R1711 T1712	D1702-R2076 HydrophobicContact CB-CB 4.38Å; D1702-R2076 WeakPolarHBondContact OD1-CA 3.39Å; D1702-R2076 WeakPolarHBondContact OD2-CA 3.22Å; R1711-R2076 HydrophobicContact CB-CB 4.48Å; T1712-R2076 PolarHBondContact OG1-N 3.08Å
2077	I	78.4	Confident	61.2	Low	65 Å²	65	84.6 Å²	84.6	33%	0.333	45%	0.448	S	S	.	.	S	Bend	trans	-72.3	-44.2	-179	-65.4	160.3	0	0	0	111	Y1617 A1619 R1621 Q1700 D1702	Y1617-I2077 HydrophobicContact CD1-CB 4.46Å; Y1617-I2077 HydrophobicContact CE1-CB 4.27Å; Y1617-I2077 HydrophobicContact CE1-CD1 4.4Å; Y1617-I2077 HydrophobicContact CE1-CG2 4.02Å; A1619-I2077 HydrophobicContact CB-CD1 3.4Å; R1621-I2077 HydrophobicContact CG-CD1 4.17Å; R1621-I2077 VanDerWaalsContact NH1-CG1 3.31Å; Q1700-I2077 HydrophobicContact CB-CD1 3.92Å; Q1700-I2077 HydrophobicContact CG-CD1 4.27Å; D1702-I2077 PolarHBondContact OD2-N 3.03Å
2078	R	83.6	Confident	63.3	Low	30 Å²	30	83.9 Å²	83.9	11%	0.113	43%	0.429	C	S	.	.	S	Bend	trans	-136.6	160.9	-178.2	75.7	175.8	-164.8	178.5	0.8	112	S1605 E1614 Y1617 Q1704 Y2092	S1605-R2078 PolarHBondContact OG-NH2 3.23Å; E1614-R2078 IonicContact OE1-CZ 2.68Å; E1614-R2078 IonicContact OE1-NE 2.76Å; E1614-R2078 PolarHBondContact OE1-NE 3.34Å; E1614-R2078 IonicContact OE1-NH2 3.13Å; E1614-R2078 PolarHBondContact OE1-NH2 3.2Å; E1614-R2078 IonicContact OE2-CZ 3.72Å; E1614-R2078 IonicContact OE2-NH2 3.33Å; E1614-R2078 PolarHBondContact OE2-NH2 2.68Å; Y1617-R2078 HydrophobicContact CD1-CG 3.85Å; Y1617-R2078 VanDerWaalsContact CD2-CZ 3.49Å; Y1617-R2078 HydrophobicContact CE1-CG 4.03Å; Y1617-R2078 VanDerWaalsContact CE2-CZ 3.46Å; Y1617-R2078 HydrophobicContact CG-CG 4.16Å; Q1704-R2078 PolarHBondContact NE2-O 2.9Å; R2078-Y2092 HydrophobicContact CB-CE1 4.48Å; R2078-Y2092 HydrophobicContact CB-CE2 4.29Å; R2078-Y2092 HydrophobicContact CG-CE2 4.35Å
2079	L	82.2	Confident	65.4	Low	31 Å²	31	84.1 Å²	84.1	16%	0.162	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-76.1	159.4	170.4	-55.6	-175.9	0	0	0	110	R2081 Y2092 A2097 E2098	L2079-R2081 PolarHBondContact O-N 2.99Å; L2079-Y2092 PolarHBondContact N-OH 3.1Å; L2079-Y2092 WeakPolarHBondContact O-CE2 3.41Å; L2079-A2097 HydrophobicContact CB-CB 3.84Å; L2079-A2097 HydrophobicContact CD1-CB 4.48Å; L2079-E2098 HydrophobicContact CD1-CB 4.16Å; L2079-E2098 HydrophobicContact CD1-CG 3.43Å; L2079-E2098 VanDerWaalsContact CD1-CG 3.43Å
2080	P	80.6	Confident	67.8	Low	23 Å²	23	82 Å²	82	15%	0.149	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-58.4	132	172.6	-24	33.6	0	0	0	110.7	Q1704 Y2082	Q1704-P2080 WeakPolarHBondContact O-CG 3.42Å; P2080-Y2082 PolarHBondContact O-N 3.3Å
2081	R	83	Confident	70.2	Confident	41 Å²	41	81.7 Å²	81.7	16%	0.155	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-58.3	135.3	177.8	-170.6	-163.3	-50.7	-128.6	7.5	110.4	S1605 E1614 L2079 V2083 R2090 Y2092	S1605-R2081 VanDerWaalsContact CB-NH2 3.28Å; S1605-R2081 PolarHBondContact OG-NH2 2.88Å; E1614-R2081 WeakPolarHBondContact OE2-CB 3.46Å; E1614-R2081 IonicContact OE2-NE 3.57Å; E1614-R2081 PolarHBondContact OE2-NE 2.95Å; E1614-R2081 IonicContact OE2-NH2 2.75Å; L2079-R2081 PolarHBondContact O-N 2.99Å; R2081-V2083 PolarHBondContact O-N 2.87Å; R2081-R2090 PolarHBondContact NH1-O 3.32Å; R2081-Y2092 HydrophobicContact CB-CD2 4.12Å; R2081-Y2092 HydrophobicContact CG-CD2 4.21Å
2082	Y	80.4	Confident	72.4	Confident	108 Å²	108	81 Å²	81	42%	0.424	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-67.4	119.8	166.9	-176	-106	0	0	0	109.6	P2080 E2096	P2080-Y2082 PolarHBondContact O-N 3.3Å; Y2082-E2096 HydrophobicContact CD1-CB 4.46Å; Y2082-E2096 HydrophobicContact CG-CB 4.4Å
2083	V	75.2	Confident	74.3	Confident	35 Å²	35	79.2 Å²	79.2	21%	0.212	39%	0.386	C	S	.	.			trans	-106	124.4	172.1	-179.3	0	0	0	0	107.3	M1607 R2081	M1607-V2083 HydrophobicContact CE-CG2 3.9Å; R2081-V2083 PolarHBondContact O-N 2.87Å
2084	G	70.3	Confident	75.8	Confident	12 Å²	12	76.1 Å²	76.1	12%	0.124	38%	0.378	C	S	.	.			trans	-67.8	168.8	-179.7	0	0	0	0	0	113	D2086 K2087	G2084-D2086 VanDerWaalsContact C-OD1 3.31Å; G2084-D2086 WeakPolarHBondContact CA-OD1 3.26Å; G2084-D2086 PolarHBondContact O-N 2.97Å; G2084-K2087 PolarHBondContact O-N 2.96Å
2085	Q	70.2	Confident	76.6	Confident	199 Å²	199	79.8 Å²	79.8	93%	0.93	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.3	176.7	-62.6	-173.2	13.7	0	0	112.9	K2087	Q2085-K2087 VanDerWaalsContact C-N 3.25Å; Q2085-K2087 PolarHBondContact O-N 3.31Å
2086	D	74.5	Confident	77.2	Confident	75 Å²	75	75.1 Å²	75.1	40%	0.401	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-9.9	172.9	57.5	0.1	0	0	0	114.1	G2084 I2088 R2090	G2084-D2086 VanDerWaalsContact C-OD1 3.31Å; G2084-D2086 WeakPolarHBondContact CA-OD1 3.26Å; G2084-D2086 PolarHBondContact O-N 2.97Å; D2086-I2088 HydrophobicContact CB-CD1 4.19Å; D2086-I2088 HydrophobicContact CB-CG1 4.05Å; D2086-I2088 PolarHBondContact O-N 3.25Å; D2086-I2088 VanDerWaalsContact O-N 3.17Å; D2086-I2088 PolarHBondContact OD1-N 3.04Å; D2086-R2090 VanDerWaalsContact CG-NH1 3.3Å; D2086-R2090 IonicContact OD1-NH1 2.7Å; D2086-R2090 PolarHBondContact OD1-NH1 3.35Å; D2086-R2090 IonicContact OD2-CZ 3.14Å; D2086-R2090 IonicContact OD2-NH1 3.84Å; D2086-R2090 PolarHBondContact OD2-NH1 3.05Å; D2086-R2090 IonicContact OD2-NH2 3.76Å; D2086-R2090 PolarHBondContact OD2-NH2 3.5Å
2087	K	67.2	Low	77.5	Confident	121 Å²	121	72 Å²	72	53%	0.526	36%	0.364	S	S	.	.			trans	59.5	12.5	-173.5	-58.1	-173.1	173	-167.7	0	115.2	G2084 Q2085 V2089	G2084-K2087 PolarHBondContact O-N 2.96Å; Q2085-K2087 VanDerWaalsContact C-N 3.25Å; Q2085-K2087 PolarHBondContact O-N 3.31Å; K2087-V2089 PolarHBondContact O-N 3.29Å
2088	I	69.6	Low	77.5	Confident	87 Å²	87	74 Å²	74	45%	0.446	37%	0.372	S	S	.	.			trans	-73.4	127.7	179.6	-61.2	177.6	0	0	0	109.2	D2086 R2090	D2086-I2088 HydrophobicContact CB-CD1 4.19Å; D2086-I2088 HydrophobicContact CB-CG1 4.05Å; D2086-I2088 PolarHBondContact O-N 3.25Å; D2086-I2088 VanDerWaalsContact O-N 3.17Å; D2086-I2088 PolarHBondContact OD1-N 3.04Å; I2088-R2090 VanDerWaalsContact C-N 3.3Å; I2088-R2090 PolarHBondContact O-N 3.05Å
2089	V	70.7	Confident	77	Confident	74 Å²	74	73.9 Å²	73.9	45%	0.448	38%	0.381	S	S	.	.			trans	-78.4	78.9	-178.8	-173.4	0	0	0	0	110.1	M1607 K2087	M1607-V2089 HydrophobicContact CE-CG2 4.31Å; M1607-V2089 HydrophobicContact CG-CG1 4.47Å; M1607-V2089 HydrophobicContact CG-CG2 4.49Å; K2087-V2089 PolarHBondContact O-N 3.29Å
2090	R	76.9	Confident	76.6	Confident	96 Å²	96	72.9 Å²	72.9	36%	0.362	38%	0.378	S	S	.	.			trans	-60.5	156.9	172.8	-70.1	178.4	175.9	73.3	6.2	111.9	R2081 D2086 I2088	R2081-R2090 PolarHBondContact NH1-O 3.32Å; D2086-R2090 VanDerWaalsContact CG-NH1 3.3Å; D2086-R2090 IonicContact OD1-NH1 2.7Å; D2086-R2090 PolarHBondContact OD1-NH1 3.35Å; D2086-R2090 IonicContact OD2-CZ 3.14Å; D2086-R2090 IonicContact OD2-NH1 3.84Å; D2086-R2090 PolarHBondContact OD2-NH1 3.05Å; D2086-R2090 IonicContact OD2-NH2 3.76Å; D2086-R2090 PolarHBondContact OD2-NH2 3.5Å; I2088-R2090 VanDerWaalsContact C-N 3.3Å; I2088-R2090 PolarHBondContact O-N 3.05Å
2091	P	79	Confident	76	Confident	117 Å²	117	73.1 Å²	73.1	76%	0.76	38%	0.38	S	S	*	.			trans	-50.4	150.2	165.1	-26.1	35.6	0	0	0	112	S2093	P2091-S2093 PolarHBondContact O-N 3.13Å; P2091-S2093 VanDerWaalsContact O-N 3.17Å
2092	Y	81.7	Confident	75.2	Confident	69 Å²	69	76 Å²	76	27%	0.271	40%	0.397	S	S	.	.			trans	-73.3	109.2	179.5	173.9	-91	0	0	0	110.5	R2078 L2079 R2081 P2094 A2097	R2078-Y2092 HydrophobicContact CB-CE1 4.48Å; R2078-Y2092 HydrophobicContact CB-CE2 4.29Å; R2078-Y2092 HydrophobicContact CG-CE2 4.35Å; L2079-Y2092 PolarHBondContact N-OH 3.1Å; L2079-Y2092 WeakPolarHBondContact O-CE2 3.41Å; R2081-Y2092 HydrophobicContact CB-CD2 4.12Å; R2081-Y2092 HydrophobicContact CG-CD2 4.21Å; Y2092-P2094 HydrophobicContact CE1-CB 4.09Å; Y2092-A2097 HydrophobicContact CD2-CB 4.44Å; Y2092-A2097 HydrophobicContact CE2-CB 3.53Å
2093	S	81.3	Confident	74.3	Confident	38 Å²	38	76.7 Å²	76.7	27%	0.266	41%	0.408	S	S	.	.			trans	-92.2	124.2	166.5	173.2	0	0	0	0	109.9	P2091 L2095 E2096 A2097	P2091-S2093 PolarHBondContact O-N 3.13Å; P2091-S2093 VanDerWaalsContact O-N 3.17Å; S2093-L2095 VanDerWaalsContact C-N 3.3Å; S2093-L2095 PolarHBondContact O-N 3.18Å; S2093-E2096 PolarHBondContact O-N 2.9Å; S2093-E2096 PolarHBondContact OG-N 3.36Å; S2093-A2097 WeakPolarHBondContact O-CB 3.46Å; S2093-A2097 PolarHBondContact O-N 2.81Å; S2093-A2097 VanDerWaalsContact O-N 3.07Å
2094	P	80.3	Confident	73.4	Confident	73 Å²	73	79.5 Å²	79.5	47%	0.474	42%	0.418	S	S	.	.	H	α-helix	trans	-64.9	-35.6	177.5	26	-32.9	0	0	0	111.8	Y2092 A2097 E2098	Y2092-P2094 HydrophobicContact CE1-CB 4.09Å; P2094-A2097 PolarHBondContact O-N 2.68Å; P2094-E2098 WeakPolarHBondContact O-CB 3.38Å; P2094-E2098 WeakPolarHBondContact O-CG 3.4Å; P2094-E2098 PolarHBondContact O-N 3.26Å
2095	L	81	Confident	72.2	Confident	134 Å²	134	84 Å²	84	70%	0.702	44%	0.443	S	S	*	.	H	α-helix	trans	-65.5	-41.5	177.8	-66.2	170.9	0	0	0	111.9	S2093 A2097 G2099	S2093-L2095 VanDerWaalsContact C-N 3.3Å; S2093-L2095 PolarHBondContact O-N 3.18Å; L2095-A2097 VanDerWaalsContact C-N 3.34Å; L2095-G2099 PolarHBondContact O-N 3.48Å
2096	E	81.8	Confident	70.7	Confident	83 Å²	83	78.4 Å²	78.4	39%	0.388	42%	0.42	S	S	.	.	H	α-helix	trans	-67.8	-35.4	174.7	-65.9	-176.9	176.8	0	0	111.9	Y2082 S2093 G2100	Y2082-E2096 HydrophobicContact CD1-CB 4.46Å; Y2082-E2096 HydrophobicContact CG-CB 4.4Å; S2093-E2096 PolarHBondContact O-N 2.9Å; S2093-E2096 PolarHBondContact OG-N 3.36Å; E2096-G2100 WeakPolarHBondContact O-CA 3.38Å; E2096-G2100 PolarHBondContact O-N 3Å
2097	A	80.7	Confident	68.8	Low	0 Å²	0	83.9 Å²	83.9	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-73.2	-34.6	178	0	0	0	0	0	112.4	L2079 Y2092 S2093 P2094 L2095 S2101	L2079-A2097 HydrophobicContact CB-CB 3.84Å; L2079-A2097 HydrophobicContact CD1-CB 4.48Å; Y2092-A2097 HydrophobicContact CD2-CB 4.44Å; Y2092-A2097 HydrophobicContact CE2-CB 3.53Å; S2093-A2097 WeakPolarHBondContact O-CB 3.46Å; S2093-A2097 PolarHBondContact O-N 2.81Å; S2093-A2097 VanDerWaalsContact O-N 3.07Å; P2094-A2097 PolarHBondContact O-N 2.68Å; L2095-A2097 VanDerWaalsContact C-N 3.34Å; A2097-S2101 VanDerWaalsContact O-CB 3.3Å; A2097-S2101 WeakPolarHBondContact O-CB 3.37Å; A2097-S2101 PolarHBondContact O-N 3.11Å
2098	E	77.3	Confident	67.2	Low	107 Å²	107	87.9 Å²	87.9	50%	0.5	45%	0.452	S	S	.	.	H	α-helix	trans	-66.4	-51.5	170.1	-79.3	-176.9	173.6	0	0	111.1	L2079 P2094 G2100 S2101 I2102	L2079-E2098 HydrophobicContact CD1-CB 4.16Å; L2079-E2098 HydrophobicContact CD1-CG 3.43Å; L2079-E2098 VanDerWaalsContact CD1-CG 3.43Å; P2094-E2098 WeakPolarHBondContact O-CB 3.38Å; P2094-E2098 WeakPolarHBondContact O-CG 3.4Å; P2094-E2098 PolarHBondContact O-N 3.26Å; E2098-G2100 VanDerWaalsContact C-N 3.3Å; E2098-G2100 PolarHBondContact O-N 2.88Å; E2098-S2101 PolarHBondContact O-N 2.88Å; E2098-S2101 VanDerWaalsContact O-N 3.09Å; E2098-I2102 VanDerWaalsContact O-CG1 3.31Å; E2098-I2102 WeakPolarHBondContact O-CG1 3.4Å; E2098-I2102 PolarHBondContact O-N 3.35Å
2099	G	73.8	Confident	65.3	Low	29 Å²	29	89.4 Å²	89.4	30%	0.299	46%	0.461	S	S	.	.	H	α-helix	trans	-56.1	-44.6	173.9	0	0	0	0	0	112	L2095 S2101 I2102 L2103	L2095-G2099 PolarHBondContact O-N 3.48Å; G2099-S2101 PolarHBondContact O-N 3.13Å; G2099-I2102 PolarHBondContact O-N 2.89Å; G2099-L2103 VanDerWaalsContact O-CB 3.31Å; G2099-L2103 WeakPolarHBondContact O-CB 3.28Å; G2099-L2103 WeakPolarHBondContact O-CG 3.38Å; G2099-L2103 PolarHBondContact O-N 3.43Å
2100	G	73.9	Confident	63.1	Low	9 Å²	9	91.6 Å²	91.6	9%	0.093	48%	0.48	C	S	.	.	H	α-helix	trans	-61.1	-40.6	174	0	0	0	0	0	113.4	E2096 E2098 Q2104	E2096-G2100 WeakPolarHBondContact O-CA 3.38Å; E2096-G2100 PolarHBondContact O-N 3Å; E2098-G2100 VanDerWaalsContact C-N 3.3Å; E2098-G2100 PolarHBondContact O-N 2.88Å; G2100-Q2104 WeakPolarHBondContact O-CB 3.48Å; G2100-Q2104 VanDerWaalsContact O-CG 3.31Å; G2100-Q2104 WeakPolarHBondContact O-CG 3.45Å; G2100-Q2104 PolarHBondContact O-N 2.97Å
2101	S	67.1	Low	60.8	Low	28 Å²	28	91.9 Å²	91.9	20%	0.196	49%	0.492	C	S	.	.	H	α-helix	trans	-67.9	-41.7	175.9	-171.8	0	0	0	0	111.8	A2097 E2098 G2099 Q2104 V2105	A2097-S2101 VanDerWaalsContact O-CB 3.3Å; A2097-S2101 WeakPolarHBondContact O-CB 3.37Å; A2097-S2101 PolarHBondContact O-N 3.11Å; E2098-S2101 PolarHBondContact O-N 2.88Å; E2098-S2101 VanDerWaalsContact O-N 3.09Å; G2099-S2101 PolarHBondContact O-N 3.13Å; S2101-Q2104 PolarHBondContact O-N 2.97Å; S2101-V2105 WeakPolarHBondContact O-CG2 3.44Å; S2101-V2105 PolarHBondContact O-N 3.2Å
2102	I	66.4	Low	58.2	Low	102 Å²	102	91.1 Å²	91.1	52%	0.523	49%	0.487	S	S	.	.	H	α-helix	trans	-64.4	-43.5	176.5	-67.4	163.2	0	0	0	110.3	E2098 G2099 Q2104 V2105 N2106	E2098-I2102 VanDerWaalsContact O-CG1 3.31Å; E2098-I2102 WeakPolarHBondContact O-CG1 3.4Å; E2098-I2102 PolarHBondContact O-N 3.35Å; G2099-I2102 PolarHBondContact O-N 2.89Å; I2102-Q2104 VanDerWaalsContact C-N 3.31Å; I2102-Q2104 PolarHBondContact O-N 3.31Å; I2102-V2105 PolarHBondContact O-N 2.95Å; I2102-N2106 PolarHBondContact O-N 3.12Å; I2102-N2106 VanDerWaalsContact O-N 3.13Å; I2102-N2106 PolarHBondContact O-ND2 2.74Å; I2102-N2106 VanDerWaalsContact O-ND2 3.17Å
2103	L	61.9	Low	55.5	Low	122 Å²	122	93.4 Å²	93.4	64%	0.639	52%	0.52	S	S	*	.	H	α-helix	trans	-68.7	-25.1	175.9	-70.7	169.4	0	0	0	113.3	G2099	G2099-L2103 VanDerWaalsContact O-CB 3.31Å; G2099-L2103 WeakPolarHBondContact O-CB 3.28Å; G2099-L2103 WeakPolarHBondContact O-CG 3.38Å; G2099-L2103 PolarHBondContact O-N 3.43Å
2104	Q	54.9	Low	53	Low	94 Å²	94	95.9 Å²	95.9	44%	0.439	54%	0.543	S	S	.	.	H	α-helix	trans	-78.8	-44.6	172	-78.3	-177.2	38.8	0	0	112.3	G2100 S2101 I2102 N2106 R2107	G2100-Q2104 WeakPolarHBondContact O-CB 3.48Å; G2100-Q2104 VanDerWaalsContact O-CG 3.31Å; G2100-Q2104 WeakPolarHBondContact O-CG 3.45Å; G2100-Q2104 PolarHBondContact O-N 2.97Å; S2101-Q2104 PolarHBondContact O-N 2.97Å; I2102-Q2104 VanDerWaalsContact C-N 3.31Å; I2102-Q2104 PolarHBondContact O-N 3.31Å; Q2104-N2106 VanDerWaalsContact C-N 3.28Å; Q2104-N2106 PolarHBondContact O-N 3.11Å; Q2104-R2107 PolarHBondContact O-N 3.44Å
2105	V	45.1	Very low	50.5	Low	106 Å²	106	100 Å²	100	64%	0.642	56%	0.559	S	S	*	*	H	α-helix	trans	-60.5	-38.7	178.5	169.3	0	0	0	0	111.3	S2101 I2102 R2107	S2101-V2105 WeakPolarHBondContact O-CG2 3.44Å; S2101-V2105 PolarHBondContact O-N 3.2Å; I2102-V2105 PolarHBondContact O-N 2.95Å; V2105-R2107 VanDerWaalsContact C-N 3.29Å; V2105-R2107 PolarHBondContact O-N 2.9Å
2106	N	39.4	Very low	47.7	Very low	82 Å²	82	101.8 Å²	101.8	44%	0.439	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-77.9	1	-179.6	-74.1	-43.5	0	0	0	115.4	I2102 Q2104 F2108 L2109	I2102-N2106 PolarHBondContact O-N 3.12Å; I2102-N2106 VanDerWaalsContact O-N 3.13Å; I2102-N2106 PolarHBondContact O-ND2 2.74Å; I2102-N2106 VanDerWaalsContact O-ND2 3.17Å; Q2104-N2106 VanDerWaalsContact C-N 3.28Å; Q2104-N2106 PolarHBondContact O-N 3.11Å; N2106-F2108 PolarHBondContact O-N 3.39Å; N2106-F2108 VanDerWaalsContact O-N 3.14Å; N2106-L2109 PolarHBondContact O-N 2.91Å
2107	R	34.7	Very low	45	Very low	191 Å²	191	103.3 Å²	103.3	72%	0.721	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-68.2	-8.9	179.2	-85.9	-175	178.3	-158.5	-0.7	115.5	Q2104 V2105	Q2104-R2107 PolarHBondContact O-N 3.44Å; V2105-R2107 VanDerWaalsContact C-N 3.29Å; V2105-R2107 PolarHBondContact O-N 2.9Å
2108	F	33.1	Very low	42.4	Very low	204 Å²	204	109.5 Å²	109.5	90%	0.895	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-96.1	-2.3	171.5	-77.1	-81.1	0	0	0	114.1	N2106	N2106-F2108 PolarHBondContact O-N 3.39Å; N2106-F2108 VanDerWaalsContact O-N 3.14Å
2109	L	29.7	Very low	40.1	Very low	119 Å²	119	110.2 Å²	110.2	62%	0.623	63%	0.627	S	S	*	*			trans	-101	109.6	174.4	-94.3	164.8	0	0	0	110.7	N2106 V2111	N2106-L2109 PolarHBondContact O-N 2.91Å; L2109-V2111 HydrophobicContact CB-CG2 4.4Å; L2109-V2111 PolarHBondContact O-N 2.6Å
2110	S	26.2	Very low	37.9	Very low	121 Å²	121	115 Å²	115	85%	0.846	65%	0.645	S	S	*	*			trans	-76.1	60.5	176.2	45.4	0	0	0	0	112.5	P2112	S2110-P2112 WeakPolarHBondContact O-CD 3.35Å
2111	V	26.7	Very low	35.6	Very low	101 Å²	101	121 Å²	121	61%	0.612	67%	0.673	S	S	*	*			trans	-89.3	117	171.7	-178.1	0	0	0	0	109.3	L2109	L2109-V2111 HydrophobicContact CB-CG2 4.4Å; L2109-V2111 PolarHBondContact O-N 2.6Å
2112	P	25.7	Very low	33.7	Very low	102 Å²	102	125.3 Å²	125.3	66%	0.662	69%	0.693	S	S	*	*			trans	-65.4	151.5	175.7	-21.3	34.4	0	0	0	112.3	S2110 A2114	S2110-P2112 WeakPolarHBondContact O-CD 3.35Å; P2112-A2114 PolarHBondContact O-N 3.29Å
2113	A	25.3	Very low	31.9	Very low	117 Å²	117	129.3 Å²	129.3	97%	0.967	70%	0.703	S	S	*	*	S	Bend	trans	-67.8	93.9	174.1	0	0	0	0	0	110.8
2114	A	27.5	Very low	30.3	Very low	90 Å²	90	131.1 Å²	131.1	74%	0.744	71%	0.712	S	S	*	*			trans	-149.5	-14.6	179.1	0	0	0	0	0	114.9	P2112 H2116	P2112-A2114 PolarHBondContact O-N 3.29Å; A2114-H2116 PolarHBondContact O-N 3.43Å
2115	I	28.6	Very low	28.9	Very low	158 Å²	158	130 Å²	130	81%	0.81	73%	0.725	S	S	*	*			trans	-96.7	94.5	-179.6	-57.7	-178.5	0	0	0	109.6
2116	H	22.8	Very low	28.2	Very low	172 Å²	172	131.6 Å²	131.6	80%	0.796	74%	0.738	S	S	*	*			trans	-74.2	-174.2	159.6	-120	-110.4	0	0	0	110.2	A2114	A2114-H2116 PolarHBondContact O-N 3.43Å
2117	V	24.3	Very low	27.7	Very low	116 Å²	116	131.4 Å²	131.4	70%	0.703	76%	0.756	S	S	*	*			trans	93.6	107.1	162.9	-169	0	0	0	0	116.8
2118	N	25.7	Very low	27.3	Very low	130 Å²	130	133 Å²	133	70%	0.695	77%	0.768	S	S	*	*			trans	59	88.3	146.9	-54.5	-2.7	0	0	0	120.9
2119	C	29.4	Very low	27.1	Very low	121 Å²	121	129.7 Å²	129.7	82%	0.818	79%	0.791	S	S	*	*				-164.9	117.9	105.6	-93.4	0	0	0	0	108.8
2120	I	26.9	Very low	26.9	Very low	131 Å²	131	130.3 Å²	130.3	67%	0.672	80%	0.8	S	S	*	*				75.9	114.7	57.5	-64.2	171.7	0	0	0	110
2121	I	25.8	Very low	27	Very low	133 Å²	133	130.7 Å²	130.7	68%	0.682	80%	0.797	S	S	*	*			cis	-168.9	163.5	1.9	-147.8	-179.1	0	0	0	113.2
2122	L	27.3	Very low	27	Very low	119 Å²	119	132.4 Å²	132.4	62%	0.623	81%	0.808	S	S	*	*			trans	63.1	152.3	159.9	-59.2	174.3	0	0	0	119.4
2123	Y	29.2	Very low	27.1	Very low	187 Å²	187	134.2 Å²	134.2	73%	0.733	82%	0.816	S	S	*	*			cis	-131.2	139.2	-17.9	-93	-76.8	0	0	0	105.8
2124	L	27.4	Very low	27.2	Very low	160 Å²	160	135.3 Å²	135.3	84%	0.838	81%	0.807	S	S	*	*				42.7	137.5	88.7	-57.7	169.1	0	0	0	115
2125	G	26.6	Very low	27.2	Very low	69 Å²	69	138.3 Å²	138.3	71%	0.711	81%	0.811	S	S	*	*			cis	-156	-164	13.4	0	0	0	0	0	114.6
2126	P	30.5	Very low	27.1	Very low	140 Å²	140	136.9 Å²	136.9	91%	0.909	81%	0.811	S	S	*	*			trans	-104.8	153.9	-152.1	38.2	-35.8	0	0	0	117
2127	G	28.6	Very low	27.4	Very low	79 Å²	79	134.2 Å²	134.2	81%	0.814	81%	0.812	S	S	*	*			trans	-144.7	143.3	163.6	0	0	0	0	0	110.3
2128	K	26.5	Very low	27.7	Very low	225 Å²	225	135.7 Å²	135.7	98%	0.978	82%	0.821	S	S	*	*			trans	-96.1	144.4	-175.5	-65.6	177.1	-178.2	174.2	0	111.7
2129	G	28.3	Very low	27.8	Very low	134 Å²	134	136.2 Å²	136.2	100%	1.381	83%	0.833	S	S	*	*			trans	-177.8	0	174.8	0	0	0	0	0	109.3

Retrieved 2,129 of 2,129 residues in 1993.7 ms (Link to these results)

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