A0A5K4F3N8_SCHMA Loading...

FACT complex subunit AlphaSync

Component of the FACT complex, a general chromatin factor that acts to reorganize nucleosomes. The FACT complex is involved in multiple processes that require DNA as a template such as mRNA elongation, DNA replication and DNA repair. During transcription elongation the FACT complex acts as a histone chaperone that both destabilizes and restores nucleosomal structure. It facilitates the passage of RNA polymerase II and transcription by promoting the dissociation of one histone H2A-H2B dimer from the nucleosome, then subsequently promotes the reestablishment of the nucleosome following the passage of RNA polymerase II.

AlphaFold DB , UniProt , Accession A0A5K4F3N8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,091 aa.

						>A0A5K4F3N8_SCHMA|A0A5K4F3N8
MCALNLDIGSFEKRLSKLYADWEDPNSELHDVESIVVPAGKVDSVYGKTLSLHMWLFGYELQDTVIVFNKQSMIVLCGKKKLDFLHPLENRRFGNHTVVLIPRNPTDKDKAGLKKLVDGIKSGAKNNKVGHLAKDKFTSELTESFMSSLQEEKFQLVDISNSISEILATKDETELILLKKACDITCNLFTKHLKEQIMDVIDSDRKVKHEKLSSGCQNALKNSNILSGLDPDNVEMCYDPIIQSGGTYNLKFSIESDTRILHFGVIICSLGVRYQSYCSNVIRSLMVNPTDEQSANYTYLHDLFDWCIEQIKPGVKIADFCQAIANKVSTERPKLAENLLRNYGFVTGIEFRDSNLLLSPKSASTFRRGMTLNFNLGFQNLINSLGKSQAEKNYALWLGDVLAVGVGNTGENLVYTLTAKRRPKSISLYIKEEEEEDEEEDEEETRNAGKRDTSNRNPQSARSANGTSAGAISKKQSIPNGDGSAGVNAAQEILGRGHRRAIIEQKTRNEQTAEEKRMSRRRDLFQELVTSSTNRLTGLKTDTNLDTKMKSSIAYKGAGQMPKEDDVRKLRLFVDKKYETVILPIFGLPTPFHISTIKNVSTSIEADYTYLRINFHHPGALVGAKDTASFQSPESTYVKEMTYRASNVRRHGEASIPSTNLNNAYRIIKEVLKRFRSREAEEKERANLVEQDDLVVDHAKGSFRLKDLYIRPNVASKRITGTLEAHSNGFRFTSVRGDQVDILYNNIKHAFYQPCDGEMIILLHFHLKNAIMYGKKKHTDIQFYTEVGELTTDLSKTHSRMQDRDDLEAEQREREMREQIKMAFRSFVDRSENLARRYDLEFETPFRELGFHGCPFRSTVLLMPTSSALISVVELPAFVVTLDEVEFVMLERVSLSIRTFDMVFVFKDYHKKPAMINSIPSTALELVKEWLLSCDIFYAEASKSLNWPKLMKTILDDPEGFVEQGGWSFISPDEDDDEDEEDTEDEDENYAPSESELSGDGEEDGSGDESSDDDEDWEAEEESDEPESLDSDESEGKDWDELEEEARKEDAKNEISDTVHPKKRQRAHSPSPVSHKKSRHGTKSPNKKNKR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28	Very low	70.7	Confident	239 Å²	239	64 Å²	64	100%	1.177	38%	0.375	S	S	*	.				0	93.4	0	-78.5	-166.4	-78.3	0	0	109.9
2	C	30.2	Very low	72.4	Confident	89 Å²	89	65.3 Å²	65.3	60%	0.601	37%	0.374	S	S	*	.			trans	-65.1	155.4	162.7	-60.5	0	0	0	0	109.7	L4	C2-L4 PolarHBondContact O-N 2.66Å; C2-L4 VanDerWaalsContact O-N 3.11Å
3	A	46.9	Very low	73.9	Confident	38 Å²	38	69.2 Å²	69.2	31%	0.314	39%	0.385	S	S	.	.			trans	-73.4	104.4	177.6	0	0	0	0	0	109.5	N5	A3-N5 PolarHBondContact O-N 2.84Å; A3-N5 PolarHBondContact O-ND2 3.39Å; A3-N5 PolarHBondContact O-OD1 2.93Å
4	L	66.6	Low	75.2	Confident	102 Å²	102	65.6 Å²	65.6	53%	0.534	36%	0.362	S	S	.	.			trans	-43.9	110.4	177.7	-80.7	162.7	0	0	0	111.5	C2 Y59 F84	C2-L4 PolarHBondContact O-N 2.66Å; C2-L4 VanDerWaalsContact O-N 3.11Å; L4-Y59 HydrophobicContact CD1-CD2 3.79Å; L4-Y59 HydrophobicContact CD1-CE1 4.48Å; L4-Y59 HydrophobicContact CD1-CE2 3.67Å; L4-Y59 HydrophobicContact CD1-CG 4.27Å; L4-Y59 HydrophobicContact CD2-CD2 4.03Å; L4-F84 HydrophobicContact CB-CD2 4.3Å; L4-F84 HydrophobicContact CB-CE2 4.11Å; L4-F84 VanDerWaalsContact O-CD2 3.28Å; L4-F84 WeakPolarHBondContact O-CD2 3.38Å; L4-F84 WeakPolarHBondContact O-CE2 2.97Å
5	N	74.6	Confident	76.4	Confident	42 Å²	42	61.3 Å²	61.3	23%	0.225	34%	0.338	C	S	.	.			trans	-105.7	130.7	-178.7	-68.7	-55.8	0	0	0	110.7	A3 D7 R800 Q802 D803	A3-N5 PolarHBondContact O-N 2.84Å; A3-N5 PolarHBondContact O-ND2 3.39Å; A3-N5 PolarHBondContact O-OD1 2.93Å; N5-D7 PolarHBondContact O-N 3.1Å; N5-R800 VanDerWaalsContact OD1-C 3.26Å; N5-R800 VanDerWaalsContact OD1-CA 3.28Å; N5-R800 WeakPolarHBondContact OD1-CA 3.48Å; N5-R800 PolarHBondContact OD1-O 3.33Å; N5-Q802 PolarHBondContact ND2-N 3.26Å; N5-D803 PolarHBondContact ND2-OD1 2.7Å
6	L	84.6	Confident	77.4	Confident	20 Å²	20	60.7 Å²	60.7	11%	0.105	34%	0.34	C	S	.	.			trans	-79.5	117.1	176	177.2	60	0	0	0	110.5	I8 F57 F84 L85 L88	L6-I8 WeakPolarHBondContact O-CG1 3.01Å; L6-I8 PolarHBondContact O-N 3.28Å; L6-F57 HydrophobicContact CD1-CB 4.04Å; L6-F57 HydrophobicContact CD1-CD1 4.13Å; L6-F57 WeakPolarHBondContact CD1-O 3.45Å; L6-F84 HydrophobicContact CB-CE1 4.3Å; L6-F84 HydrophobicContact CB-CE2 3.95Å; L6-F84 HydrophobicContact CB-CZ 3.77Å; L6-F84 HydrophobicContact CD1-CE1 4.34Å; L6-F84 HydrophobicContact CD1-CZ 4.14Å; L6-F84 HydrophobicContact CG-CZ 4.45Å; L6-L85 HydrophobicContact CD2-CD2 3.99Å; L6-L88 HydrophobicContact CD2-CD1 3.8Å; L6-L88 HydrophobicContact CD2-CD2 3.67Å; L6-L88 HydrophobicContact CD2-CG 3.58Å
7	D	87.7	Confident	78.2	Confident	87 Å²	87	61.1 Å²	61.1	47%	0.465	34%	0.337	S	S	.	.			trans	-69.6	97.5	168.6	178.9	4.7	0	0	0	110.2	N5 G9 S10 F11	N5-D7 PolarHBondContact O-N 3.1Å; D7-G9 PolarHBondContact O-N 3.39Å; D7-G9 WeakPolarHBondContact OD1-CA 3.33Å; D7-G9 PolarHBondContact OD1-N 3.11Å; D7-S10 PolarHBondContact OD1-N 3.04Å; D7-S10 VanDerWaalsContact OD1-N 3.08Å; D7-S10 WeakPolarHBondContact OD2-CB 3.31Å; D7-S10 PolarHBondContact OD2-N 3.15Å; D7-S10 PolarHBondContact OD2-OG 3Å; D7-F11 WeakPolarHBondContact O-CB 3.44Å; D7-F11 PolarHBondContact O-N 3.07Å
8	I	89.5	Confident	79.1	Confident	29 Å²	29	57.8 Å²	57.8	15%	0.149	32%	0.319	C	S	.	.	H	α-helix	trans	-65.5	-26.8	179.6	-51	176.5	0	0	0	111.3	L6 E12 P87 L88 R91 F93	L6-I8 WeakPolarHBondContact O-CG1 3.01Å; L6-I8 PolarHBondContact O-N 3.28Å; I8-E12 VanDerWaalsContact O-CB 3.28Å; I8-E12 WeakPolarHBondContact O-CB 3.4Å; I8-E12 PolarHBondContact O-N 3.37Å; I8-P87 HydrophobicContact CD1-CB 3.63Å; I8-P87 HydrophobicContact CG1-CB 4.46Å; I8-L88 HydrophobicContact CG1-CD2 4.44Å; I8-L88 HydrophobicContact CG2-CD2 4.16Å; I8-R91 VanDerWaalsContact CD1-CZ 3.44Å; I8-R91 VanDerWaalsContact CD1-NH2 3.28Å; I8-F93 HydrophobicContact CG2-CE1 3.95Å; I8-F93 HydrophobicContact CG2-CZ 4.3Å
9	G	89	Confident	79.8	Confident	44 Å²	44	54.9 Å²	54.9	45%	0.454	30%	0.303	S	S	.	.	H	α-helix	trans	-74.4	-48.7	178.8	0	0	0	0	0	112.2	D7 E12 K13	D7-G9 PolarHBondContact O-N 3.39Å; D7-G9 WeakPolarHBondContact OD1-CA 3.33Å; D7-G9 PolarHBondContact OD1-N 3.11Å; G9-E12 PolarHBondContact O-N 3.48Å; G9-K13 WeakPolarHBondContact O-CB 3.3Å; G9-K13 PolarHBondContact O-N 2.94Å
10	S	88.4	Confident	80.4	Confident	14 Å²	14	55.2 Å²	55.2	10%	0.098	31%	0.312	C	S	.	.	H	α-helix	trans	-58.5	-46	168.3	-75.2	0	0	0	0	111.7	D7 E12 K13 R14	D7-S10 PolarHBondContact OD1-N 3.04Å; D7-S10 VanDerWaalsContact OD1-N 3.08Å; D7-S10 WeakPolarHBondContact OD2-CB 3.31Å; D7-S10 PolarHBondContact OD2-N 3.15Å; D7-S10 PolarHBondContact OD2-OG 3Å; S10-E12 PolarHBondContact O-N 3.4Å; S10-K13 PolarHBondContact O-N 2.85Å; S10-R14 VanDerWaalsContact O-CB 3.29Å; S10-R14 WeakPolarHBondContact O-CB 3.41Å; S10-R14 WeakPolarHBondContact O-CG 3.3Å; S10-R14 PolarHBondContact O-N 3.29Å
11	F	92.3	Very high	80.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-57.4	-50.3	176.8	173.7	-92.2	0	0	0	112	D7 K13 R14 L15 L56 F57 M73 L88 F93 V98	D7-F11 WeakPolarHBondContact O-CB 3.44Å; D7-F11 PolarHBondContact O-N 3.07Å; F11-K13 PolarHBondContact O-N 2.88Å; F11-R14 PolarHBondContact O-N 3.41Å; F11-L15 HydrophobicContact CE1-CB 4.46Å; F11-L15 HydrophobicContact CE1-CD2 3.76Å; F11-L15 HydrophobicContact CZ-CB 4.47Å; F11-L15 HydrophobicContact CZ-CD1 4.32Å; F11-L15 HydrophobicContact CZ-CD2 3.8Å; F11-L15 HydrophobicContact CZ-CG 4.42Å; F11-L15 WeakPolarHBondContact O-CB 3.16Å; F11-L15 PolarHBondContact O-N 2.94Å; F11-L56 HydrophobicContact CD2-CB 4.4Å; F11-L56 WeakPolarHBondContact CD2-O 3.42Å; F11-F57 HydrophobicContact CD2-CD1 4.09Å; F11-F57 HydrophobicContact CD2-CE1 4.13Å; F11-F57 HydrophobicContact CE2-CD1 4.18Å; F11-F57 AromaticContact CE2-CE1 3.75Å; F11-F57 HydrophobicContact CE2-CE1 3.75Å; F11-M73 HydrophobicContact CE2-CE 4.13Å; F11-M73 HydrophobicContact CE2-SD 4.02Å; F11-M73 HydrophobicContact CZ-CE 4.39Å; F11-M73 HydrophobicContact CZ-SD 3.71Å; F11-L88 HydrophobicContact CD1-CD1 4.24Å; F11-L88 HydrophobicContact CD1-CD2 3.49Å; F11-L88 VanDerWaalsContact CD1-CD2 3.49Å; F11-L88 HydrophobicContact CD2-CD1 4.28Å; F11-L88 HydrophobicContact CE1-CD1 3.79Å; F11-L88 HydrophobicContact CE1-CD2 3.66Å; F11-L88 HydrophobicContact CE1-CG 4.31Å; F11-L88 HydrophobicContact CE2-CD1 3.85Å; F11-L88 HydrophobicContact CG-CD1 4.48Å; F11-L88 HydrophobicContact CG-CD2 4.02Å; F11-L88 HydrophobicContact CZ-CD1 3.58Å; F11-L88 HydrophobicContact CZ-CD2 4.32Å; F11-F93 HydrophobicContact CD1-CD1 4.36Å; F11-F93 AromaticContact CD1-CE1 3.97Å; F11-F93 HydrophobicContact CD1-CE1 3.97Å; F11-F93 HydrophobicContact CD1-CE2 4.5Å; F11-F93 HydrophobicContact CD1-CZ 4.05Å; F11-F93 HydrophobicContact CE1-CD1 4.3Å; F11-F93 HydrophobicContact CE1-CD2 4.05Å; F11-F93 HydrophobicContact CE1-CE1 4.07Å; F11-F93 AromaticContact CE1-CE2 3.83Å; F11-F93 HydrophobicContact CE1-CE2 3.83Å; F11-F93 HydrophobicContact CE1-CG 4.28Å; F11-F93 AromaticContact CE1-CZ 3.83Å; F11-F93 HydrophobicContact CE1-CZ 3.83Å; F11-V98 HydrophobicContact CE1-CG2 4.31Å; F11-V98 HydrophobicContact CZ-CG2 4.16Å
12	E	91.5	Very high	83.9	Confident	79 Å²	79	43 Å²	43	37%	0.369	25%	0.251	S	S	.	.	H	α-helix	trans	-60.3	-44.2	179.6	176.9	157.8	-149.9	0	0	111.9	I8 G9 S10 S16 F93	I8-E12 VanDerWaalsContact O-CB 3.28Å; I8-E12 WeakPolarHBondContact O-CB 3.4Å; I8-E12 PolarHBondContact O-N 3.37Å; G9-E12 PolarHBondContact O-N 3.48Å; S10-E12 PolarHBondContact O-N 3.4Å; E12-S16 VanDerWaalsContact O-CB 3.23Å; E12-S16 WeakPolarHBondContact O-CB 3.42Å; E12-S16 PolarHBondContact O-N 3.48Å; E12-S16 PolarHBondContact O-OG 2.88Å; E12-F93 HydrophobicContact CB-CD1 3.72Å; E12-F93 HydrophobicContact CB-CE1 4.12Å; E12-F93 HydrophobicContact CG-CD1 3.78Å
13	K	91	Very high	86.8	Confident	117 Å²	117	44.3 Å²	44.3	51%	0.509	25%	0.248	S	C	.	.	H	α-helix	trans	-64.4	-42.7	179	-171.6	-178.9	-179	-174.6	0	112.1	G9 S10 F11 K17	G9-K13 WeakPolarHBondContact O-CB 3.3Å; G9-K13 PolarHBondContact O-N 2.94Å; S10-K13 PolarHBondContact O-N 2.85Å; F11-K13 PolarHBondContact O-N 2.88Å; K13-K17 PolarHBondContact O-N 2.82Å
14	R	93.1	Very high	88.9	Confident	19 Å²	19	45.8 Å²	45.8	7%	0.072	25%	0.251	C	S	.	.	H	α-helix	trans	-78.1	-39.4	-177.6	-67.6	174.3	-174.4	171.1	3.7	112.3	S10 F11 S16 K17 L18 W55 L56 D171 E174	S10-R14 VanDerWaalsContact O-CB 3.29Å; S10-R14 WeakPolarHBondContact O-CB 3.41Å; S10-R14 WeakPolarHBondContact O-CG 3.3Å; S10-R14 PolarHBondContact O-N 3.29Å; F11-R14 PolarHBondContact O-N 3.41Å; R14-S16 VanDerWaalsContact C-N 3.32Å; R14-S16 PolarHBondContact O-N 3.22Å; R14-K17 WeakPolarHBondContact O-CB 3.35Å; R14-K17 PolarHBondContact O-N 2.88Å; R14-L18 PolarHBondContact O-N 2.57Å; R14-W55 HydrophobicContact CB-CD2 4.12Å; R14-W55 HydrophobicContact CB-CE3 4.08Å; R14-W55 HydrophobicContact CB-CH2 3.68Å; R14-W55 HydrophobicContact CB-CZ2 3.69Å; R14-W55 HydrophobicContact CB-CZ3 3.87Å; R14-W55 WeakPolarHBondContact CD-O 3.39Å; R14-W55 HydrophobicContact CG-CD2 4.2Å; R14-W55 HydrophobicContact CG-CH2 4.17Å; R14-W55 HydrophobicContact CG-CZ2 3.63Å; R14-W55 PolarHBondContact NH1-O 2.82Å; R14-W55 VanDerWaalsContact O-CH2 3.26Å; R14-W55 WeakPolarHBondContact O-CH2 3.33Å; R14-L56 HydrophobicContact CB-CD2 4.15Å; R14-D171 IonicContact CZ-OD2 3.81Å; R14-D171 IonicContact NE-OD2 3.65Å; R14-D171 PolarHBondContact NE-OD2 3.4Å; R14-D171 VanDerWaalsContact NE-OD2 3.08Å; R14-D171 IonicContact NH2-OD1 2.73Å; R14-D171 IonicContact NH2-OD2 3.76Å; R14-D171 PolarHBondContact NH2-OD2 2.72Å; R14-E174 VanDerWaalsContact NH2-CG 3.28Å
15	L	92.9	Very high	89.9	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-59.8	-43.8	169.4	-170.4	73	0	0	0	110.8	F11 K17 L18 Y19 F68 M73 F93	F11-L15 HydrophobicContact CE1-CB 4.46Å; F11-L15 HydrophobicContact CE1-CD2 3.76Å; F11-L15 HydrophobicContact CZ-CB 4.47Å; F11-L15 HydrophobicContact CZ-CD1 4.32Å; F11-L15 HydrophobicContact CZ-CD2 3.8Å; F11-L15 HydrophobicContact CZ-CG 4.42Å; F11-L15 WeakPolarHBondContact O-CB 3.16Å; F11-L15 PolarHBondContact O-N 2.94Å; L15-K17 VanDerWaalsContact C-N 3.34Å; L15-K17 PolarHBondContact O-N 3.18Å; L15-L18 PolarHBondContact O-N 2.66Å; L15-Y19 HydrophobicContact CD1-CD2 4.21Å; L15-Y19 HydrophobicContact CD1-CE2 3.72Å; L15-Y19 HydrophobicContact CD2-CE2 4.23Å; L15-Y19 HydrophobicContact CG-CD2 3.92Å; L15-Y19 HydrophobicContact CG-CE2 3.76Å; L15-Y19 VanDerWaalsContact O-CD2 3.32Å; L15-Y19 WeakPolarHBondContact O-CD2 3.48Å; L15-Y19 PolarHBondContact O-N 3.13Å; L15-F68 HydrophobicContact CD1-CD1 4.15Å; L15-F68 HydrophobicContact CD1-CE1 3.77Å; L15-M73 HydrophobicContact CD1-SD 3.95Å; L15-F93 HydrophobicContact CD2-CB 3.9Å; L15-F93 HydrophobicContact CD2-CD2 4.29Å; L15-F93 HydrophobicContact CD2-CG 4.16Å
16	S	92	Very high	90.4	Very high	51 Å²	51	50.7 Å²	50.7	36%	0.357	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-38.5	175.7	-60	0	0	0	0	112.4	E12 R14 A20	E12-S16 VanDerWaalsContact O-CB 3.23Å; E12-S16 WeakPolarHBondContact O-CB 3.42Å; E12-S16 PolarHBondContact O-N 3.48Å; E12-S16 PolarHBondContact O-OG 2.88Å; R14-S16 VanDerWaalsContact C-N 3.32Å; R14-S16 PolarHBondContact O-N 3.22Å; S16-A20 VanDerWaalsContact O-CB 3.25Å; S16-A20 WeakPolarHBondContact O-CB 3.43Å; S16-A20 PolarHBondContact O-N 3.42Å
17	K	92	Very high	90.5	Very high	68 Å²	68	50.8 Å²	50.8	30%	0.296	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-42.3	174	-168.6	-166.2	-171.5	-171	0	111.9	K13 R14 L15 A20 D21 W55 I166 T169	K13-K17 PolarHBondContact O-N 2.82Å; R14-K17 WeakPolarHBondContact O-CB 3.35Å; R14-K17 PolarHBondContact O-N 2.88Å; L15-K17 VanDerWaalsContact C-N 3.34Å; L15-K17 PolarHBondContact O-N 3.18Å; K17-A20 PolarHBondContact O-N 2.88Å; K17-D21 PolarHBondContact O-N 2.88Å; K17-D21 VanDerWaalsContact O-N 3.08Å; K17-W55 HydrophobicContact CB-CH2 4.15Å; K17-W55 HydrophobicContact CD-CH2 3.88Å; K17-W55 HydrophobicContact CD-CZ2 3.72Å; K17-W55 HydrophobicContact CG-CH2 4.46Å; K17-I166 HydrophobicContact CD-CG2 4.21Å; K17-I166 PolarHBondContact NZ-O 3.38Å; K17-T169 PolarHBondContact NZ-O 2.78Å; K17-T169 PolarHBondContact NZ-OG1 3.34Å
18	L	93	Very high	90.2	Very high	1 Å²	1	52 Å²	52	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-46.9	176.5	174.7	60.7	0	0	0	111.9	R14 L15 W22 L29 W55 F68 I163 I166	R14-L18 PolarHBondContact O-N 2.57Å; L15-L18 PolarHBondContact O-N 2.66Å; L18-W22 VanDerWaalsContact O-CB 3.29Å; L18-W22 WeakPolarHBondContact O-CB 3.47Å; L18-W22 PolarHBondContact O-N 2.92Å; L18-L29 HydrophobicContact CD1-CD1 4.3Å; L18-W55 HydrophobicContact CB-CZ3 4.47Å; L18-F68 HydrophobicContact CD2-CD1 4.17Å; L18-F68 HydrophobicContact CD2-CE1 3.93Å; L18-F68 HydrophobicContact CD2-CZ 4.15Å; L18-I163 HydrophobicContact CD1-CD1 4.02Å; L18-I166 HydrophobicContact CD1-CD1 3.7Å
19	Y	93.1	Very high	90.2	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-68	-36.4	176.4	-78.8	-73.2	0	0	0	112.8	L15 W22 E23 N69 H96	L15-Y19 HydrophobicContact CD1-CD2 4.21Å; L15-Y19 HydrophobicContact CD1-CE2 3.72Å; L15-Y19 HydrophobicContact CD2-CE2 4.23Å; L15-Y19 HydrophobicContact CG-CD2 3.92Å; L15-Y19 HydrophobicContact CG-CE2 3.76Å; L15-Y19 VanDerWaalsContact O-CD2 3.32Å; L15-Y19 WeakPolarHBondContact O-CD2 3.48Å; L15-Y19 PolarHBondContact O-N 3.13Å; Y19-W22 AromaticContact CD1-CE3 3.69Å; Y19-W22 HydrophobicContact CD1-CE3 3.69Å; Y19-W22 HydrophobicContact CD1-CZ3 4.1Å; Y19-W22 AromaticContact CE1-CE3 3.65Å; Y19-W22 HydrophobicContact CE1-CE3 3.65Å; Y19-W22 AromaticContact CE1-CZ3 3.55Å; Y19-W22 HydrophobicContact CE1-CZ3 3.55Å; Y19-W22 CarbonylContact O-C 3.34Å; Y19-W22 PolarHBondContact O-N 2.9Å; Y19-E23 WeakPolarHBondContact O-CB 3.44Å; Y19-E23 WeakPolarHBondContact O-CG 3.46Å; Y19-E23 PolarHBondContact O-N 3.46Å; Y19-N69 WeakPolarHBondContact CE1-O 3.47Å; Y19-N69 PolarHBondContact OH-O 2.82Å; Y19-N69 VanDerWaalsContact OH-O 3.1Å; Y19-H96 AromaticContact CD1-CD2 3.76Å; Y19-H96 AromaticContact CD1-NE2 3.49Å; Y19-H96 WeakPolarHBondContact CD1-NE2 3.35Å; Y19-H96 AromaticContact CD2-CD2 3.81Å; Y19-H96 AromaticContact CD2-CE1 3.68Å; Y19-H96 AromaticContact CD2-CG 3.76Å; Y19-H96 AromaticContact CD2-ND1 3.68Å; Y19-H96 AromaticContact CD2-NE2 3.79Å; Y19-H96 AromaticContact CE1-CD2 3.68Å; Y19-H96 AromaticContact CE1-NE2 3.93Å; Y19-H96 HydrophobicContact CE2-CB 4.12Å; Y19-H96 AromaticContact CE2-CD2 3.73Å; Y19-H96 AromaticContact CE2-CG 3.66Å; Y19-H96 AromaticContact CG-CD2 3.83Å; Y19-H96 AromaticContact CG-CE1 3.55Å; Y19-H96 AromaticContact CG-NE2 3.43Å; Y19-H96 AromaticContact CZ-CD2 3.68Å
20	A	91.4	Very high	90.1	Very high	60 Å²	60	52.4 Å²	52.4	50%	0.496	28%	0.277	S	S	.	.	H	α-helix	trans	-64.4	-41.3	177.8	0	0	0	0	0	112.7	S16 K17 W22 E23 D24	S16-A20 VanDerWaalsContact O-CB 3.25Å; S16-A20 WeakPolarHBondContact O-CB 3.43Å; S16-A20 PolarHBondContact O-N 3.42Å; K17-A20 PolarHBondContact O-N 2.88Å; A20-W22 VanDerWaalsContact C-N 3.34Å; A20-E23 PolarHBondContact O-N 3.03Å; A20-D24 PolarHBondContact O-N 3.16Å
21	D	91	Very high	90	Very high	39 Å²	39	56 Å²	56	21%	0.209	30%	0.296	C	S	.	.	H	α-helix	trans	-64.9	-40.3	171.9	-167.1	105.5	0	0	0	110.8	K17 E23 D24 S27 I166	K17-D21 PolarHBondContact O-N 2.88Å; K17-D21 VanDerWaalsContact O-N 3.08Å; D21-E23 PolarHBondContact O-N 3.42Å; D21-D24 PolarHBondContact O-N 2.94Å; D21-S27 WeakPolarHBondContact O-CB 3.34Å; D21-S27 WeakPolarHBondContact OD2-CB 3.16Å; D21-S27 PolarHBondContact OD2-OG 2.86Å; D21-I166 HydrophobicContact CB-CD1 3.76Å; D21-I166 HydrophobicContact CB-CG1 3.83Å
22	W	92.3	Very high	89.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-70.3	-13.7	177.1	-164.4	13.7	0	0	0	114.6	L18 Y19 A20 L29 V32 I35 F68 K70	L18-W22 VanDerWaalsContact O-CB 3.29Å; L18-W22 WeakPolarHBondContact O-CB 3.47Å; L18-W22 PolarHBondContact O-N 2.92Å; Y19-W22 AromaticContact CD1-CE3 3.69Å; Y19-W22 HydrophobicContact CD1-CE3 3.69Å; Y19-W22 HydrophobicContact CD1-CZ3 4.1Å; Y19-W22 AromaticContact CE1-CE3 3.65Å; Y19-W22 HydrophobicContact CE1-CE3 3.65Å; Y19-W22 AromaticContact CE1-CZ3 3.55Å; Y19-W22 HydrophobicContact CE1-CZ3 3.55Å; Y19-W22 CarbonylContact O-C 3.34Å; Y19-W22 PolarHBondContact O-N 2.9Å; A20-W22 VanDerWaalsContact C-N 3.34Å; W22-L29 HydrophobicContact CB-CB 4.2Å; W22-L29 HydrophobicContact CB-CD1 4.1Å; W22-L29 VanDerWaalsContact CD1-C 3.46Å; W22-L29 VanDerWaalsContact CD1-CB 3.44Å; W22-L29 HydrophobicContact CG-CB 4.02Å; W22-L29 HydrophobicContact CG-CD1 4.43Å; W22-L29 PolarHBondContact NE1-O 3.31Å; W22-V32 HydrophobicContact CZ2-CG1 4.38Å; W22-V32 PolarHBondContact NE1-O 3.18Å; W22-I35 HydrophobicContact CD2-CD1 3.83Å; W22-I35 HydrophobicContact CE3-CD1 3.96Å; W22-I35 HydrophobicContact CG-CD1 4.4Å; W22-I35 HydrophobicContact CH2-CD1 4.27Å; W22-I35 HydrophobicContact CH2-CG1 4.08Å; W22-I35 HydrophobicContact CZ2-CD1 4.13Å; W22-I35 HydrophobicContact CZ2-CG1 3.9Å; W22-I35 HydrophobicContact CZ3-CD1 4.18Å; W22-I35 HydrophobicContact CZ3-CG1 4.44Å; W22-F68 HydrophobicContact CH2-CB 4.24Å; W22-F68 WeakPolarHBondContact CH2-O 3.26Å; W22-F68 HydrophobicContact CZ3-CB 3.76Å; W22-K70 HydrophobicContact CD2-CD 4.08Å; W22-K70 HydrophobicContact CE3-CD 4.41Å; W22-K70 HydrophobicContact CH2-CD 4.37Å; W22-K70 HydrophobicContact CZ2-CD 4.06Å; W22-K70 HydrophobicContact CZ2-CG 4.5Å; W22-K70 PolarHBondContact O-NZ 3.04Å
23	E	90.3	Very high	89.8	Confident	116 Å²	116	53.2 Å²	53.2	54%	0.542	28%	0.283	S	S	.	.	H	α-helix	trans	-98.6	-13.3	172.4	-73.1	-173.3	154.8	0	0	113.1	Y19 A20 D21 P25	Y19-E23 WeakPolarHBondContact O-CB 3.44Å; Y19-E23 WeakPolarHBondContact O-CG 3.46Å; Y19-E23 PolarHBondContact O-N 3.46Å; A20-E23 PolarHBondContact O-N 3.03Å; D21-E23 PolarHBondContact O-N 3.42Å; E23-P25 WeakPolarHBondContact O-CD 3.34Å
24	D	90.2	Very high	89.9	Confident	69 Å²	69	47.6 Å²	47.6	37%	0.369	26%	0.258	S	S	.	.			trans	-70.9	118.9	175.3	-171.4	-23.8	0	0	0	110.6	A20 D21 N26 S27 H30	A20-D24 PolarHBondContact O-N 3.16Å; D21-D24 PolarHBondContact O-N 2.94Å; D24-N26 PolarHBondContact O-N 3.32Å; D24-N26 WeakPolarHBondContact OD1-CB 3.36Å; D24-N26 PolarHBondContact OD1-N 2.9Å; D24-N26 PolarHBondContact OD1-ND2 3.22Å; D24-S27 PolarHBondContact O-N 3.26Å; D24-H30 WeakPolarHBondContact O-CB 3.44Å
25	P	88.6	Confident	89.9	Confident	99 Å²	99	46.8 Å²	46.8	64%	0.643	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-10.5	177.6	-24	35.7	0	0	0	115.5	E23	E23-P25 WeakPolarHBondContact O-CD 3.34Å
26	N	85.4	Confident	89.9	Confident	148 Å²	148	46.8 Å²	46.8	79%	0.791	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-11	176.1	-53.5	-85.3	0	0	0	113.1	D24	D24-N26 PolarHBondContact O-N 3.32Å; D24-N26 WeakPolarHBondContact OD1-CB 3.36Å; D24-N26 PolarHBondContact OD1-N 2.9Å; D24-N26 PolarHBondContact OD1-ND2 3.22Å
27	S	85.3	Confident	90	Very high	21 Å²	21	44.3 Å²	44.3	15%	0.147	24%	0.238	C	C	.	.	S	Bend	trans	-80.1	140.4	177.6	-177.8	0	0	0	0	111.6	D21 D24 L29 H30	D21-S27 WeakPolarHBondContact O-CB 3.34Å; D21-S27 WeakPolarHBondContact OD2-CB 3.16Å; D21-S27 PolarHBondContact OD2-OG 2.86Å; D24-S27 PolarHBondContact O-N 3.26Å; S27-L29 PolarHBondContact O-N 2.86Å; S27-L29 VanDerWaalsContact O-N 3.14Å; S27-L29 PolarHBondContact OG-N 2.59Å; S27-H30 VanDerWaalsContact O-CB 3.3Å; S27-H30 WeakPolarHBondContact O-CB 3.41Å; S27-H30 PolarHBondContact O-N 3.06Å
28	E	82.5	Confident	90	Very high	112 Å²	112	42 Å²	42	52%	0.523	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.4	170.1	-64.6	172.6	151.4	0	0	112.2	H30 N161 S162	E28-H30 VanDerWaalsContact C-N 3.35Å; E28-N161 PolarHBondContact OE1-ND2 3.2Å; E28-N161 WeakPolarHBondContact OE2-CB 3.32Å; E28-N161 PolarHBondContact OE2-ND2 3.42Å; E28-S162 PolarHBondContact OE2-OG 2.85Å
29	L	88.9	Confident	89.8	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-28.1	173.7	-63.7	-176.6	0	0	0	113	L18 W22 S27 D31 V32 I35 I159 S162 I166	L18-L29 HydrophobicContact CD1-CD1 4.3Å; W22-L29 HydrophobicContact CB-CB 4.2Å; W22-L29 HydrophobicContact CB-CD1 4.1Å; W22-L29 VanDerWaalsContact CD1-C 3.46Å; W22-L29 VanDerWaalsContact CD1-CB 3.44Å; W22-L29 HydrophobicContact CG-CB 4.02Å; W22-L29 HydrophobicContact CG-CD1 4.43Å; W22-L29 PolarHBondContact NE1-O 3.31Å; S27-L29 PolarHBondContact O-N 2.86Å; S27-L29 VanDerWaalsContact O-N 3.14Å; S27-L29 PolarHBondContact OG-N 2.59Å; L29-D31 PolarHBondContact O-N 3.45Å; L29-D31 VanDerWaalsContact O-N 3.11Å; L29-V32 WeakPolarHBondContact O-CB 3.12Å; L29-V32 PolarHBondContact O-N 2.68Å; L29-I35 HydrophobicContact CD1-CD1 4.38Å; L29-I35 HydrophobicContact CD2-CD1 4.05Å; L29-I159 HydrophobicContact CD2-CB 3.66Å; L29-I159 HydrophobicContact CD2-CD1 4.11Å; L29-I159 HydrophobicContact CD2-CG1 4.49Å; L29-I159 HydrophobicContact CD2-CG2 3.64Å; L29-S162 VanDerWaalsContact CG-CB 3.49Å; L29-I166 HydrophobicContact CD1-CD1 3.78Å
30	H	87.8	Confident	89.3	Confident	82 Å²	82	41.8 Å²	41.8	38%	0.38	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-36.9	-171.2	175.7	-88.6	0	0	0	112.7	D24 S27 E28 V32	D24-H30 WeakPolarHBondContact O-CB 3.44Å; S27-H30 VanDerWaalsContact O-CB 3.3Å; S27-H30 WeakPolarHBondContact O-CB 3.41Å; S27-H30 PolarHBondContact O-N 3.06Å; E28-H30 VanDerWaalsContact C-N 3.35Å; H30-V32 PolarHBondContact O-N 2.97Å
31	D	86.3	Confident	88.7	Confident	91 Å²	91	44.8 Å²	44.8	49%	0.487	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-9.6	178.6	-113.8	47.1	0	0	0	114.4	L29 K128	L29-D31 PolarHBondContact O-N 3.45Å; L29-D31 VanDerWaalsContact O-N 3.11Å; D31-K128 WeakPolarHBondContact O-CB 2.97Å; D31-K128 WeakPolarHBondContact O-CD 3.48Å; D31-K128 IonicContact OD2-NZ 2.66Å; D31-K128 PolarHBondContact OD2-NZ 3.49Å
32	V	89.4	Confident	87.9	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.236	C	C	.	.			trans	-99	140.5	-178.6	171.3	0	0	0	0	111.1	W22 L29 H30 S34 I35 K70 V157 I159	W22-V32 HydrophobicContact CZ2-CG1 4.38Å; W22-V32 PolarHBondContact NE1-O 3.18Å; L29-V32 WeakPolarHBondContact O-CB 3.12Å; L29-V32 PolarHBondContact O-N 2.68Å; H30-V32 PolarHBondContact O-N 2.97Å; V32-S34 WeakPolarHBondContact CG1-O 3.36Å; V32-I35 HydrophobicContact CG1-CG1 4.03Å; V32-K70 WeakPolarHBondContact O-CE 3.5Å; V32-V157 HydrophobicContact CG2-CB 4.16Å; V32-V157 HydrophobicContact CG2-CG1 4.26Å; V32-V157 HydrophobicContact CG2-CG2 4.44Å; V32-I159 HydrophobicContact CG2-CG2 4.24Å
33	E	89.1	Confident	86.8	Confident	18 Å²	18	53.9 Å²	53.9	8%	0.084	28%	0.281	C	S	.	.	S	Bend	trans	-105.1	-28.4	-171.2	-57.1	-179.8	119.1	0	0	113.2	A124 K125 N126 N127 K128	E33-A124 WeakPolarHBondContact OE2-CA 3.38Å; E33-K125 VanDerWaalsContact CD-N 3.26Å; E33-K125 WeakPolarHBondContact OE1-CA 3.49Å; E33-K125 WeakPolarHBondContact OE1-CB 3.49Å; E33-K125 PolarHBondContact OE1-N 3.34Å; E33-K125 PolarHBondContact OE2-N 3.45Å; E33-N126 PolarHBondContact OE1-N 2.81Å; E33-N126 WeakPolarHBondContact OE2-CA 3.37Å; E33-N126 WeakPolarHBondContact OE2-CB 3.39Å; E33-N126 PolarHBondContact OE2-N 3.19Å; E33-N127 PolarHBondContact OE2-N 3.06Å; E33-K128 PolarHBondContact N-O 3.42Å; E33-K128 PolarHBondContact OE2-N 2.74Å
34	S	92.4	Very high	86.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146.7	167.4	61.7	0	0	0	0	110.6	V32 F68 N69 I120 V129 G130	V32-S34 WeakPolarHBondContact CG1-O 3.36Å; S34-F68 CarbonylContact C-O 3.56Å; S34-F68 WeakPolarHBondContact CA-O 3.35Å; S34-F68 WeakPolarHBondContact CB-O 3.23Å; S34-N69 WeakPolarHBondContact CB-OD1 3.42Å; S34-I120 WeakPolarHBondContact OG-CG2 3.41Å; S34-V129 CarbonylContact O-C 3.53Å; S34-V129 WeakPolarHBondContact O-CA 3.34Å; S34-G130 PolarHBondContact O-N 2.77Å
35	I	93.5	Very high	85.5	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.1	176.2	-66	170.9	0	0	0	108.3	W22 L29 V32 V37 V67 F68 G130 I159	W22-I35 HydrophobicContact CD2-CD1 3.83Å; W22-I35 HydrophobicContact CE3-CD1 3.96Å; W22-I35 HydrophobicContact CG-CD1 4.4Å; W22-I35 HydrophobicContact CH2-CD1 4.27Å; W22-I35 HydrophobicContact CH2-CG1 4.08Å; W22-I35 HydrophobicContact CZ2-CD1 4.13Å; W22-I35 HydrophobicContact CZ2-CG1 3.9Å; W22-I35 HydrophobicContact CZ3-CD1 4.18Å; W22-I35 HydrophobicContact CZ3-CG1 4.44Å; L29-I35 HydrophobicContact CD1-CD1 4.38Å; L29-I35 HydrophobicContact CD2-CD1 4.05Å; V32-I35 HydrophobicContact CG1-CG1 4.03Å; I35-V37 HydrophobicContact CG2-CG2 4.01Å; I35-V67 CarbonylContact O-C 3.42Å; I35-V67 WeakPolarHBondContact O-CA 3.49Å; I35-F68 HydrophobicContact CB-CB 4.26Å; I35-F68 HydrophobicContact CB-CD2 4.21Å; I35-F68 HydrophobicContact CG2-CD2 4.08Å; I35-F68 PolarHBondContact N-O 3.23Å; I35-F68 PolarHBondContact O-N 2.59Å; I35-G130 CarbonylContact C-O 2.85Å; I35-G130 WeakPolarHBondContact CA-O 3.44Å; I35-I159 HydrophobicContact CB-CD1 4.27Å; I35-I159 HydrophobicContact CD1-CD1 4.06Å; I35-I159 HydrophobicContact CG1-CD1 3.98Å; I35-I159 HydrophobicContact CG2-CD1 3.38Å
36	V	93.3	Very high	85.4	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.9	179.2	-53.9	0	0	0	0	110.8	V67 I120 V129 G130 H131 F145 L149	V36-V67 HydrophobicContact CG1-CG2 4.14Å; V36-I120 HydrophobicContact CG1-CD1 3.64Å; V36-I120 HydrophobicContact CG1-CG1 4.35Å; V36-V129 HydrophobicContact CB-CG1 4.39Å; V36-V129 HydrophobicContact CG1-CG1 3.55Å; V36-V129 HydrophobicContact CG2-CG1 3.96Å; V36-G130 PolarHBondContact N-O 2.95Å; V36-H131 HydrophobicContact CG2-CB 3.86Å; V36-F145 HydrophobicContact CB-CE1 4.01Å; V36-F145 HydrophobicContact CB-CZ 4.07Å; V36-F145 HydrophobicContact CG1-CE1 4.36Å; V36-F145 HydrophobicContact CG1-CZ 3.96Å; V36-F145 HydrophobicContact CG2-CE1 4.34Å; V36-L149 HydrophobicContact CG2-CD2 4.11Å
37	V	93.5	Very high	85.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	86.3	-177.5	-174	0	0	0	0	108.1	I35 T49 L52 I66 F68	I35-V37 HydrophobicContact CG2-CG2 4.01Å; V37-T49 HydrophobicContact CG1-CG2 3.65Å; V37-L52 HydrophobicContact CG1-CD2 4.37Å; V37-L52 HydrophobicContact CG2-CD2 3.83Å; V37-I66 HydrophobicContact CB-CB 4.29Å; V37-I66 PolarHBondContact N-O 2.96Å; V37-I66 PolarHBondContact O-N 3.07Å; V37-F68 HydrophobicContact CG2-CD2 4.45Å; V37-F68 HydrophobicContact CG2-CE2 3.97Å
38	P	91.7	Very high	85.8	Confident	20 Å²	20	42.5 Å²	42.5	13%	0.13	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	108.7	177.5	32.8	-30.2	0	0	0	111	V65 F137 T142 F145 M146	P38-V65 HydrophobicContact CB-CG1 4.35Å; P38-V65 HydrophobicContact CB-CG2 4.11Å; P38-F137 WeakPolarHBondContact O-CD2 3.34Å; P38-T142 HydrophobicContact CB-CG2 3.93Å; P38-F145 HydrophobicContact CB-CD1 4.09Å; P38-F145 HydrophobicContact CB-CE1 4.48Å; P38-M146 HydrophobicContact CG-SD 4.24Å
39	A	89.1	Confident	86.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.2	173.8	0	0	0	0	0	110.8	T49 H53 D63 T64	A39-T49 HydrophobicContact CB-CG2 3.81Å; A39-H53 WeakPolarHBondContact CB-CE1 3.44Å; A39-D63 CarbonylContact O-C 3.36Å; A39-D63 VanDerWaalsContact O-CA 3.28Å; A39-D63 WeakPolarHBondContact O-CA 3.12Å; A39-D63 PolarHBondContact O-N 2.8Å; A39-T64 PolarHBondContact N-O 3.1Å; A39-T64 PolarHBondContact O-N 3.08Å; A39-T64 VanDerWaalsContact O-O 3.06Å
40	G	84	Confident	86.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.			trans	-105.2	-132.6	171.3	0	0	0	0	0	109.9	Q62 D63 F137	G40-Q62 WeakPolarHBondContact O-CB 3.17Å; G40-D63 PolarHBondContact O-N 3.11Å; G40-F137 VanDerWaalsContact N-CB 3.3Å; G40-F137 VanDerWaalsContact N-CD1 3.32Å; G40-F137 VanDerWaalsContact N-CG 3.34Å
41	K	77	Confident	86.6	Confident	122 Å²	122	33.9 Å²	33.9	53%	0.53	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-106.7	150.6	164.4	-63.7	-179	-179.5	-178	0	110
42	V	75.4	Confident	86.9	Confident	53 Å²	53	29.7 Å²	29.7	32%	0.321	16%	0.161	S	C	.	.			trans	-156.5	148.5	174.5	73.7	0	0	0	0	109	S44 L50 F137	V42-S44 VanDerWaalsContact C-N 3.31Å; V42-L50 HydrophobicContact CG1-CD1 3.97Å; V42-F137 HydrophobicContact CB-CD1 3.92Å; V42-F137 HydrophobicContact CB-CE1 3.87Å; V42-F137 HydrophobicContact CG1-CD1 4.1Å; V42-F137 HydrophobicContact CG1-CE1 3.52Å; V42-F137 HydrophobicContact CG1-CZ 4.37Å
43	D	68.5	Low	87.1	Confident	177 Å²	177	29.6 Å²	29.6	95%	0.947	16%	0.161	S	C	*	.	S	Bend	trans	-88.8	2.9	178.7	-47.4	-55.5	0	0	0	112.9
44	S	75.9	Confident	87.2	Confident	60 Å²	60	30.3 Å²	30.3	42%	0.42	17%	0.165	S	C	.	.			trans	-93	121.2	-178.5	-177	0	0	0	0	111.4	V42 Y46 L50	V42-S44 VanDerWaalsContact C-N 3.31Å; S44-Y46 PolarHBondContact O-N 3.43Å; S44-Y46 VanDerWaalsContact O-N 3.17Å; S44-Y46 PolarHBondContact OG-O 3.34Å; S44-L50 WeakPolarHBondContact O-CD1 3.36Å
45	V	77.9	Confident	87.3	Confident	74 Å²	74	30.4 Å²	30.4	45%	0.448	17%	0.165	S	C	.	.	S	Bend	trans	-60.8	-22.8	176.4	-175.6	0	0	0	0	112.9
46	Y	86.4	Confident	87.3	Confident	60 Å²	60	30.5 Å²	30.5	24%	0.235	17%	0.165	C	C	.	.			trans	-126.4	141.1	-176.4	-55.5	-62.1	0	0	0	112.6	S44 C237 C278 E350 F351	S44-Y46 PolarHBondContact O-N 3.43Å; S44-Y46 VanDerWaalsContact O-N 3.17Å; S44-Y46 PolarHBondContact OG-O 3.34Å; Y46-C237 WeakPolarHBondContact OH-CA 3.4Å; Y46-C237 PolarHBondContact OH-O 3.41Å; Y46-C237 VanDerWaalsContact OH-O 3.07Å; Y46-C278 PolarHBondContact OH-SG 3.35Å; Y46-E350 HydrophobicContact CD1-CB 4.48Å; Y46-F351 HydrophobicContact CE1-CB 4.15Å; Y46-F351 HydrophobicContact CE2-CB 3.99Å
47	G	88	Confident	87.2	Confident	13 Å²	13	30.8 Å²	30.8	13%	0.134	17%	0.167	C	C	.	.			trans	174.7	151	175.6	0	0	0	0	0	110.1	T49 L50 S51	G47-T49 PolarHBondContact O-N 2.79Å; G47-L50 PolarHBondContact O-N 3.19Å; G47-L50 VanDerWaalsContact O-N 3.17Å; G47-S51 PolarHBondContact O-N 2.86Å; G47-S51 PolarHBondContact O-OG 3.38Å
48	K	91.2	Very high	86.9	Confident	8 Å²	8	33.1 Å²	33.1	4%	0.035	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-33.6	-170.3	-70.8	-68.3	175.8	-151.8	0	112.8	S51 L52 L132 D135 I163 S164 E350 D353	K48-S51 PolarHBondContact O-N 2.97Å; K48-L52 VanDerWaalsContact O-CB 3.25Å; K48-L52 WeakPolarHBondContact O-CB 3.49Å; K48-L52 PolarHBondContact O-N 3.45Å; K48-L132 HydrophobicContact CB-CB 4.48Å; K48-L132 HydrophobicContact CB-CD1 3.74Å; K48-L132 HydrophobicContact CB-CD2 3.7Å; K48-L132 HydrophobicContact CB-CG 4.18Å; K48-L132 HydrophobicContact CG-CD2 4.29Å; K48-D135 PolarHBondContact N-OD1 3.31Å; K48-D135 PolarHBondContact N-OD2 3.5Å; K48-I163 HydrophobicContact CD-CG2 4.39Å; K48-S164 WeakPolarHBondContact CE-OG 3.37Å; K48-S164 PolarHBondContact NZ-OG 2.72Å; K48-E350 WeakPolarHBondContact CD-OE1 3.3Å; K48-E350 IonicContact NZ-OE1 3.14Å; K48-E350 PolarHBondContact NZ-OE1 2.92Å; K48-E350 IonicContact NZ-OE2 3.19Å; K48-E350 PolarHBondContact NZ-OE2 3.01Å; K48-D353 IonicContact NZ-OD1 3.6Å; K48-D353 PolarHBondContact NZ-OD1 3.24Å; K48-D353 VanDerWaalsContact NZ-OD1 3.15Å; K48-D353 IonicContact NZ-OD2 2.59Å; K48-D353 PolarHBondContact NZ-OD2 3.4Å
49	T	91.8	Very high	86.6	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-66.6	-46.9	177.7	-62.8	0	0	0	0	111.3	V37 A39 G47 L52 H53 L132 D135 F137	V37-T49 HydrophobicContact CG1-CG2 3.65Å; A39-T49 HydrophobicContact CB-CG2 3.81Å; G47-T49 PolarHBondContact O-N 2.79Å; T49-L52 PolarHBondContact O-N 3.43Å; T49-H53 PolarHBondContact O-CD2 3.17Å; T49-H53 VanDerWaalsContact O-CD2 3.24Å; T49-H53 PolarHBondContact O-N 2.66Å; T49-L132 VanDerWaalsContact OG1-CD1 3.31Å; T49-L132 WeakPolarHBondContact OG1-CD1 3.41Å; T49-D135 WeakPolarHBondContact CB-OD2 3.24Å; T49-D135 PolarHBondContact N-OD2 3.34Å; T49-D135 PolarHBondContact OG1-OD2 3.09Å; T49-F137 VanDerWaalsContact CB-CE2 3.49Å; T49-F137 HydrophobicContact CG2-CD2 4.4Å; T49-F137 HydrophobicContact CG2-CE2 3.43Å; T49-F137 VanDerWaalsContact CG2-CE2 3.43Å; T49-F137 HydrophobicContact CG2-CZ 3.64Å
50	L	91	Very high	86.5	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-46	175.4	-56.1	-172.4	0	0	0	110	V42 S44 G47 L52 H53 M54 E60 F137	V42-L50 HydrophobicContact CG1-CD1 3.97Å; S44-L50 WeakPolarHBondContact O-CD1 3.36Å; G47-L50 PolarHBondContact O-N 3.19Å; G47-L50 VanDerWaalsContact O-N 3.17Å; L50-L52 VanDerWaalsContact C-N 3.32Å; L50-L52 PolarHBondContact O-N 3.37Å; L50-H53 PolarHBondContact O-N 3.11Å; L50-M54 WeakPolarHBondContact O-CG 3.37Å; L50-M54 PolarHBondContact O-N 2.97Å; L50-E60 HydrophobicContact CD2-CG 3.93Å; L50-F137 HydrophobicContact CD2-CE1 3.79Å; L50-F137 HydrophobicContact CD2-CZ 3.78Å; L50-F137 HydrophobicContact CG-CE1 4.45Å; L50-F137 HydrophobicContact CG-CZ 4.16Å
51	S	92.8	Very high	86.7	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.014	21%	0.211	C	C	.	.	H	α-helix	trans	-58.7	-41.9	177	-55	0	0	0	0	112.6	G47 K48 W55 E350	G47-S51 PolarHBondContact O-N 2.86Å; G47-S51 PolarHBondContact O-OG 3.38Å; K48-S51 PolarHBondContact O-N 2.97Å; S51-W55 WeakPolarHBondContact O-CB 3.39Å; S51-W55 PolarHBondContact O-N 3.04Å; S51-E350 WeakPolarHBondContact OG-CG 3.46Å; S51-E350 PolarHBondContact OG-OE1 3.36Å
52	L	93.6	Very high	87.2	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-70.2	-35.7	177.1	-176.4	58	0	0	0	112.3	V37 K48 T49 L50 W55 L56 I163	V37-L52 HydrophobicContact CG1-CD2 4.37Å; V37-L52 HydrophobicContact CG2-CD2 3.83Å; K48-L52 VanDerWaalsContact O-CB 3.25Å; K48-L52 WeakPolarHBondContact O-CB 3.49Å; K48-L52 PolarHBondContact O-N 3.45Å; T49-L52 PolarHBondContact O-N 3.43Å; L50-L52 VanDerWaalsContact C-N 3.32Å; L50-L52 PolarHBondContact O-N 3.37Å; L52-W55 HydrophobicContact CD1-CE3 4.07Å; L52-L56 HydrophobicContact CD1-CD1 3.87Å; L52-L56 HydrophobicContact CD1-CG 4.09Å; L52-L56 HydrophobicContact CG-CD1 4.12Å; L52-L56 WeakPolarHBondContact O-CB 3.33Å; L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 3.43Å; L52-I163 HydrophobicContact CD2-CD1 4.32Å
53	H	92.4	Very high	87.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.8	-50.9	172.8	-77.7	-151.8	0	0	0	111.3	A39 T49 L50 W55 L56 F57 L61 I66	A39-H53 WeakPolarHBondContact CB-CE1 3.44Å; T49-H53 PolarHBondContact O-CD2 3.17Å; T49-H53 VanDerWaalsContact O-CD2 3.24Å; T49-H53 PolarHBondContact O-N 2.66Å; L50-H53 PolarHBondContact O-N 3.11Å; H53-W55 VanDerWaalsContact C-N 3.32Å; H53-W55 PolarHBondContact O-N 2.74Å; H53-L56 PolarHBondContact O-N 3.24Å; H53-F57 HydrophobicContact CB-CD2 4.35Å; H53-F57 WeakPolarHBondContact O-CB 3.37Å; H53-F57 VanDerWaalsContact O-CD2 3.24Å; H53-F57 WeakPolarHBondContact O-CD2 3.06Å; H53-F57 PolarHBondContact O-N 3.18Å; H53-L61 PolarHBondContact CE1-O 2.85Å; H53-L61 PolarHBondContact ND1-O 3.01Å; H53-I66 WeakPolarHBondContact NE2-CD1 3.15Å
54	M	91.6	Very high	89	Confident	33 Å²	33	27 Å²	27	16%	0.163	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-38.6	176.7	-66	-50.5	-63.1	0	0	112.1	L50 G58 Y59 E60 I349	L50-M54 WeakPolarHBondContact O-CG 3.37Å; L50-M54 PolarHBondContact O-N 2.97Å; M54-G58 WeakPolarHBondContact CE-O 3.38Å; M54-G58 WeakPolarHBondContact O-CA 3.07Å; M54-G58 PolarHBondContact O-N 3.06Å; M54-Y59 VanDerWaalsContact SD-CA 3.51Å; M54-E60 HydrophobicContact SD-CB 4.04Å; M54-E60 PolarHBondContact SD-N 2.74Å; M54-I349 HydrophobicContact CB-CD1 4.24Å; M54-I349 HydrophobicContact CB-CG2 3.97Å; M54-I349 HydrophobicContact CG-CG2 4.42Å
55	W	94.1	Very high	89.9	Confident	1 Å²	1	24.1 Å²	24.1	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-45.3	178.7	-173.1	66.9	0	0	0	112.5	R14 K17 L18 S51 L52 H53 I166 L167 E174 I349	R14-W55 HydrophobicContact CB-CD2 4.12Å; R14-W55 HydrophobicContact CB-CE3 4.08Å; R14-W55 HydrophobicContact CB-CH2 3.68Å; R14-W55 HydrophobicContact CB-CZ2 3.69Å; R14-W55 HydrophobicContact CB-CZ3 3.87Å; R14-W55 WeakPolarHBondContact CD-O 3.39Å; R14-W55 HydrophobicContact CG-CD2 4.2Å; R14-W55 HydrophobicContact CG-CH2 4.17Å; R14-W55 HydrophobicContact CG-CZ2 3.63Å; R14-W55 PolarHBondContact NH1-O 2.82Å; R14-W55 VanDerWaalsContact O-CH2 3.26Å; R14-W55 WeakPolarHBondContact O-CH2 3.33Å; K17-W55 HydrophobicContact CB-CH2 4.15Å; K17-W55 HydrophobicContact CD-CH2 3.88Å; K17-W55 HydrophobicContact CD-CZ2 3.72Å; K17-W55 HydrophobicContact CG-CH2 4.46Å; L18-W55 HydrophobicContact CB-CZ3 4.47Å; S51-W55 WeakPolarHBondContact O-CB 3.39Å; S51-W55 PolarHBondContact O-N 3.04Å; L52-W55 HydrophobicContact CD1-CE3 4.07Å; H53-W55 VanDerWaalsContact C-N 3.32Å; H53-W55 PolarHBondContact O-N 2.74Å; W55-I166 HydrophobicContact CH2-CG2 3.57Å; W55-I166 HydrophobicContact CZ2-CG2 4.17Å; W55-I166 HydrophobicContact CZ3-CG2 3.99Å; W55-L167 HydrophobicContact CB-CD2 3.74Å; W55-L167 HydrophobicContact CD2-CD2 3.49Å; W55-L167 VanDerWaalsContact CD2-CD2 3.49Å; W55-L167 HydrophobicContact CE3-CD2 3.96Å; W55-L167 HydrophobicContact CG-CD2 3.38Å; W55-E174 VanDerWaalsContact CD1-OE1 3.27Å; W55-E174 PolarHBondContact NE1-OE1 3.06Å; W55-E174 PolarHBondContact NE1-OE2 3.03Å; W55-I349 HydrophobicContact CB-CD1 3.59Å; W55-I349 HydrophobicContact CG-CD1 4.26Å
56	L	93.1	Very high	90.7	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-74	-41.4	-179.7	-70.8	173.5	0	0	0	112.8	F11 R14 L52 H53 F68	F11-L56 HydrophobicContact CD2-CB 4.4Å; F11-L56 WeakPolarHBondContact CD2-O 3.42Å; R14-L56 HydrophobicContact CB-CD2 4.15Å; L52-L56 HydrophobicContact CD1-CD1 3.87Å; L52-L56 HydrophobicContact CD1-CG 4.09Å; L52-L56 HydrophobicContact CG-CD1 4.12Å; L52-L56 WeakPolarHBondContact O-CB 3.33Å; L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 3.43Å; H53-L56 PolarHBondContact O-N 3.24Å; L56-F68 HydrophobicContact CD1-CE1 4.11Å; L56-F68 HydrophobicContact CD1-CZ 3.63Å
57	F	91.6	Very high	91.1	Very high	8 Å²	8	17.8 Å²	17.8	4%	0.035	10%	0.098	C	C	.	.	H	α-helix	trans	-113.3	-13	-167.9	-51.5	-66.5	0	0	0	115.6	L6 F11 H53 Y59 L61 I66 M73 F84 L85	L6-F57 HydrophobicContact CD1-CB 4.04Å; L6-F57 HydrophobicContact CD1-CD1 4.13Å; L6-F57 WeakPolarHBondContact CD1-O 3.45Å; F11-F57 HydrophobicContact CD2-CD1 4.09Å; F11-F57 HydrophobicContact CD2-CE1 4.13Å; F11-F57 HydrophobicContact CE2-CD1 4.18Å; F11-F57 AromaticContact CE2-CE1 3.75Å; F11-F57 HydrophobicContact CE2-CE1 3.75Å; H53-F57 HydrophobicContact CB-CD2 4.35Å; H53-F57 WeakPolarHBondContact O-CB 3.37Å; H53-F57 VanDerWaalsContact O-CD2 3.24Å; H53-F57 WeakPolarHBondContact O-CD2 3.06Å; H53-F57 PolarHBondContact O-N 3.18Å; F57-Y59 PolarHBondContact O-N 2.94Å; F57-L61 HydrophobicContact CD1-CD1 4.47Å; F57-L61 HydrophobicContact CD2-CD1 3.67Å; F57-L61 HydrophobicContact CD2-CG 4.07Å; F57-L61 HydrophobicContact CE1-CD1 4.31Å; F57-L61 HydrophobicContact CE2-CD1 3.51Å; F57-L61 HydrophobicContact CE2-CG 4.29Å; F57-L61 HydrophobicContact CG-CD1 4.15Å; F57-L61 HydrophobicContact CZ-CD1 3.82Å; F57-I66 HydrophobicContact CE2-CD1 3.6Å; F57-I66 HydrophobicContact CZ-CD1 3.72Å; F57-M73 HydrophobicContact CE1-CE 3.88Å; F57-M73 HydrophobicContact CZ-CE 3.46Å; F57-M73 VanDerWaalsContact CZ-CE 3.46Å; F57-F84 HydrophobicContact CB-CE1 4.26Å; F57-L85 HydrophobicContact CD1-CD2 3.61Å; F57-L85 HydrophobicContact CE1-CD2 3.54Å; F57-L85 HydrophobicContact CG-CD2 4.46Å; F57-L85 HydrophobicContact CZ-CD2 4.37Å
58	G	88.7	Confident	91.3	Very high	48 Å²	48	17.2 Å²	17.2	50%	0.495	9%	0.092	S	C	.	.	S	Bend	trans	70.1	5.2	-166.2	0	0	0	0	0	114.4	M54	M54-G58 WeakPolarHBondContact CE-O 3.38Å; M54-G58 WeakPolarHBondContact O-CA 3.07Å; M54-G58 PolarHBondContact O-N 3.06Å
59	Y	85.1	Confident	91.3	Very high	90 Å²	90	16.9 Å²	16.9	35%	0.353	9%	0.091	S	C	.	.	S	Bend	trans	-154.1	147.2	-173.7	-177.5	-105.4	0	0	0	113.7	L4 M54 F57 L61	L4-Y59 HydrophobicContact CD1-CD2 3.79Å; L4-Y59 HydrophobicContact CD1-CE1 4.48Å; L4-Y59 HydrophobicContact CD1-CE2 3.67Å; L4-Y59 HydrophobicContact CD1-CG 4.27Å; L4-Y59 HydrophobicContact CD2-CD2 4.03Å; M54-Y59 VanDerWaalsContact SD-CA 3.51Å; F57-Y59 PolarHBondContact O-N 2.94Å; Y59-L61 HydrophobicContact CD1-CD2 3.93Å; Y59-L61 HydrophobicContact CE1-CD2 4.36Å; Y59-L61 PolarHBondContact O-N 2.79Å
60	E	86.9	Confident	91	Very high	47 Å²	47	19.1 Å²	19.1	22%	0.22	10%	0.1	C	C	.	.			trans	-82.4	103.2	-177.2	-171.1	-173.8	122	0	0	112.4	L50 M54 Q62	L50-E60 HydrophobicContact CD2-CG 3.93Å; M54-E60 HydrophobicContact SD-CB 4.04Å; M54-E60 PolarHBondContact SD-N 2.74Å; E60-Q62 HydrophobicContact CG-CG 4.12Å; E60-Q62 PolarHBondContact O-N 2.84Å; E60-Q62 VanDerWaalsContact OE1-CD 3.32Å; E60-Q62 WeakPolarHBondContact OE1-CG 3.42Å; E60-Q62 PolarHBondContact OE1-NE2 3.12Å
61	L	88.8	Confident	90.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.			trans	-79	80.3	171.9	-54.1	-179.3	0	0	0	111.4	H53 F57 Y59 T64 K81 F84 L85	H53-L61 PolarHBondContact CE1-O 2.85Å; H53-L61 PolarHBondContact ND1-O 3.01Å; F57-L61 HydrophobicContact CD1-CD1 4.47Å; F57-L61 HydrophobicContact CD2-CD1 3.67Å; F57-L61 HydrophobicContact CD2-CG 4.07Å; F57-L61 HydrophobicContact CE1-CD1 4.31Å; F57-L61 HydrophobicContact CE2-CD1 3.51Å; F57-L61 HydrophobicContact CE2-CG 4.29Å; F57-L61 HydrophobicContact CG-CD1 4.15Å; F57-L61 HydrophobicContact CZ-CD1 3.82Å; Y59-L61 HydrophobicContact CD1-CD2 3.93Å; Y59-L61 HydrophobicContact CE1-CD2 4.36Å; Y59-L61 PolarHBondContact O-N 2.79Å; L61-T64 HydrophobicContact CB-CG2 4.09Å; L61-T64 VanDerWaalsContact O-CB 3.28Å; L61-T64 WeakPolarHBondContact O-CB 3.33Å; L61-T64 PolarHBondContact O-OG1 3.09Å; L61-K81 HydrophobicContact CD2-CB 4.15Å; L61-K81 HydrophobicContact CD2-CD 4.35Å; L61-K81 HydrophobicContact CD2-CG 3.98Å; L61-F84 HydrophobicContact CD2-CD1 4.13Å; L61-F84 HydrophobicContact CD2-CE1 4.3Å; L61-L85 HydrophobicContact CD1-CD1 3.81Å; L61-L85 HydrophobicContact CD1-CD2 4.14Å; L61-L85 HydrophobicContact CD1-CG 4.21Å
62	Q	87.5	Confident	90.6	Very high	68 Å²	68	25.1 Å²	25.1	32%	0.318	13%	0.13	S	C	.	.			trans	-60.7	163.1	168.7	-65.1	175.6	-7.4	0	0	112	G40 E60 T64 K81	G40-Q62 WeakPolarHBondContact O-CB 3.17Å; E60-Q62 HydrophobicContact CG-CG 4.12Å; E60-Q62 PolarHBondContact O-N 2.84Å; E60-Q62 VanDerWaalsContact OE1-CD 3.32Å; E60-Q62 WeakPolarHBondContact OE1-CG 3.42Å; E60-Q62 PolarHBondContact OE1-NE2 3.12Å; Q62-T64 PolarHBondContact O-N 2.84Å; Q62-T64 PolarHBondContact O-OG1 2.88Å; Q62-K81 VanDerWaalsContact C-NZ 3.35Å; Q62-K81 WeakPolarHBondContact O-CD 3.45Å; Q62-K81 PolarHBondContact O-NZ 3.29Å
63	D	88.9	Confident	90.5	Very high	38 Å²	38	25 Å²	25	20%	0.203	13%	0.129	C	C	.	.	S	Bend	trans	45.1	46.3	176.6	-65.6	-34.1	0	0	0	112.9	A39 G40 S139 L141	A39-D63 CarbonylContact O-C 3.36Å; A39-D63 VanDerWaalsContact O-CA 3.28Å; A39-D63 WeakPolarHBondContact O-CA 3.12Å; A39-D63 PolarHBondContact O-N 2.8Å; G40-D63 PolarHBondContact O-N 3.11Å; D63-S139 WeakPolarHBondContact OD1-CB 3.24Å; D63-L141 WeakPolarHBondContact O-CD2 3.42Å
64	T	92.3	Very high	90.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	137.9	-171.9	-63.4	0	0	0	0	109.8	A39 L61 Q62 I66 V75 L76 C77	A39-T64 PolarHBondContact N-O 3.1Å; A39-T64 PolarHBondContact O-N 3.08Å; A39-T64 VanDerWaalsContact O-O 3.06Å; L61-T64 HydrophobicContact CB-CG2 4.09Å; L61-T64 VanDerWaalsContact O-CB 3.28Å; L61-T64 WeakPolarHBondContact O-CB 3.33Å; L61-T64 PolarHBondContact O-OG1 3.09Å; Q62-T64 PolarHBondContact O-N 2.84Å; Q62-T64 PolarHBondContact O-OG1 2.88Å; T64-I66 HydrophobicContact CG2-CG1 4.16Å; T64-V75 HydrophobicContact CG2-CG1 3.68Å; T64-L76 VanDerWaalsContact CA-O 3.29Å; T64-L76 WeakPolarHBondContact CA-O 3.31Å; T64-C77 HydrophobicContact CG2-CB 3.77Å; T64-C77 VanDerWaalsContact OG1-CB 3.31Å; T64-C77 WeakPolarHBondContact OG1-CB 3.5Å
65	V	94.4	Very high	90.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.8	172	-177.6	0	0	0	0	109.3	P38 L76 L116 L141 F145	P38-V65 HydrophobicContact CB-CG1 4.35Å; P38-V65 HydrophobicContact CB-CG2 4.11Å; V65-L76 PolarHBondContact N-O 2.79Å; V65-L76 PolarHBondContact O-N 2.71Å; V65-L116 HydrophobicContact CB-CD1 3.85Å; V65-L116 HydrophobicContact CG1-CD1 3.71Å; V65-L141 HydrophobicContact CG2-CD2 4.02Å; V65-L141 HydrophobicContact CG2-CG 3.99Å; V65-F145 HydrophobicContact CG1-CD1 3.73Å; V65-F145 HydrophobicContact CG1-CD2 3.97Å; V65-F145 HydrophobicContact CG1-CE1 3.68Å; V65-F145 HydrophobicContact CG1-CE2 3.93Å; V65-F145 HydrophobicContact CG1-CG 3.86Å; V65-F145 HydrophobicContact CG1-CZ 3.78Å; V65-F145 HydrophobicContact CG2-CB 4.15Å; V65-F145 HydrophobicContact CG2-CD1 4.32Å; V65-F145 HydrophobicContact CG2-CG 4.14Å
66	I	94.7	Very high	90.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136	173.9	-51	176.9	0	0	0	109	V37 H53 F57 T64 F68 M73 I74 V75	V37-I66 HydrophobicContact CB-CB 4.29Å; V37-I66 PolarHBondContact N-O 2.96Å; V37-I66 PolarHBondContact O-N 3.07Å; H53-I66 WeakPolarHBondContact NE2-CD1 3.15Å; F57-I66 HydrophobicContact CE2-CD1 3.6Å; F57-I66 HydrophobicContact CZ-CD1 3.72Å; T64-I66 HydrophobicContact CG2-CG1 4.16Å; I66-F68 HydrophobicContact CB-CE2 4.28Å; I66-F68 HydrophobicContact CG2-CD2 3.93Å; I66-F68 HydrophobicContact CG2-CE1 4.24Å; I66-F68 HydrophobicContact CG2-CE2 3.44Å; I66-F68 VanDerWaalsContact CG2-CE2 3.44Å; I66-F68 HydrophobicContact CG2-CZ 3.62Å; I66-M73 HydrophobicContact CD1-CE 4.24Å; I66-M73 HydrophobicContact CG2-CE 3.79Å; I66-M73 HydrophobicContact CG2-CG 4.01Å; I66-I74 CarbonylContact C-O 3.58Å; I66-I74 WeakPolarHBondContact CA-O 3.33Å; I66-V75 HydrophobicContact CG1-CG1 4.18Å; I66-V75 HydrophobicContact CG1-CG2 4.22Å; I66-V75 HydrophobicContact CG2-CG2 4.19Å
67	V	94.5	Very high	90.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116	170.5	176.8	0	0	0	0	108.3	I35 V36 M73 I74 L116 I120 F145	I35-V67 CarbonylContact O-C 3.42Å; I35-V67 WeakPolarHBondContact O-CA 3.49Å; V36-V67 HydrophobicContact CG1-CG2 4.14Å; V67-M73 CarbonylContact O-C 3.43Å; V67-I74 HydrophobicContact CB-CB 4.47Å; V67-I74 PolarHBondContact N-O 2.89Å; V67-I74 PolarHBondContact O-N 2.98Å; V67-L116 HydrophobicContact CB-CD2 4.43Å; V67-L116 HydrophobicContact CG2-CB 4.08Å; V67-L116 HydrophobicContact CG2-CD2 3.94Å; V67-L116 HydrophobicContact CG2-CG 4.43Å; V67-I120 HydrophobicContact CG1-CD1 4.33Å; V67-I120 HydrophobicContact CG1-CG1 3.62Å; V67-I120 HydrophobicContact CG2-CD1 4.33Å; V67-I120 HydrophobicContact CG2-CG1 4.44Å; V67-F145 HydrophobicContact CG2-CE2 4.38Å; V67-F145 HydrophobicContact CG2-CZ 4.12Å
68	F	93.5	Very high	90.8	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.3	167.6	-51.5	-99	0	0	0	108.7	L15 L18 W22 S34 I35 V37 L56 I66 M73	L15-F68 HydrophobicContact CD1-CD1 4.15Å; L15-F68 HydrophobicContact CD1-CE1 3.77Å; L18-F68 HydrophobicContact CD2-CD1 4.17Å; L18-F68 HydrophobicContact CD2-CE1 3.93Å; L18-F68 HydrophobicContact CD2-CZ 4.15Å; W22-F68 HydrophobicContact CH2-CB 4.24Å; W22-F68 WeakPolarHBondContact CH2-O 3.26Å; W22-F68 HydrophobicContact CZ3-CB 3.76Å; S34-F68 CarbonylContact C-O 3.56Å; S34-F68 WeakPolarHBondContact CA-O 3.35Å; S34-F68 WeakPolarHBondContact CB-O 3.23Å; I35-F68 HydrophobicContact CB-CB 4.26Å; I35-F68 HydrophobicContact CB-CD2 4.21Å; I35-F68 HydrophobicContact CG2-CD2 4.08Å; I35-F68 PolarHBondContact N-O 3.23Å; I35-F68 PolarHBondContact O-N 2.59Å; V37-F68 HydrophobicContact CG2-CD2 4.45Å; V37-F68 HydrophobicContact CG2-CE2 3.97Å; L56-F68 HydrophobicContact CD1-CE1 4.11Å; L56-F68 HydrophobicContact CD1-CZ 3.63Å; I66-F68 HydrophobicContact CB-CE2 4.28Å; I66-F68 HydrophobicContact CG2-CD2 3.93Å; I66-F68 HydrophobicContact CG2-CE1 4.24Å; I66-F68 HydrophobicContact CG2-CE2 3.44Å; I66-F68 VanDerWaalsContact CG2-CE2 3.44Å; I66-F68 HydrophobicContact CG2-CZ 3.62Å; F68-M73 HydrophobicContact CD1-CB 4.07Å; F68-M73 HydrophobicContact CD1-CG 3.76Å; F68-M73 HydrophobicContact CD1-SD 4.24Å; F68-M73 HydrophobicContact CE1-CB 4.41Å; F68-M73 HydrophobicContact CE1-CE 3.73Å; F68-M73 HydrophobicContact CE1-CG 3.69Å; F68-M73 HydrophobicContact CE1-SD 3.66Å; F68-M73 HydrophobicContact CZ-CE 3.88Å; F68-M73 HydrophobicContact CZ-CG 4.43Å; F68-M73 HydrophobicContact CZ-SD 4.41Å
69	N	89.6	Confident	90.8	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	158	168.5	-54.9	-45	0	0	0	107.2	Y19 S34 Q71 S72 G119	Y19-N69 WeakPolarHBondContact CE1-O 3.47Å; Y19-N69 PolarHBondContact OH-O 2.82Å; Y19-N69 VanDerWaalsContact OH-O 3.1Å; S34-N69 WeakPolarHBondContact CB-OD1 3.42Å; N69-Q71 PolarHBondContact O-N 3.33Å; N69-S72 PolarHBondContact N-O 3.35Å; N69-S72 PolarHBondContact ND2-OG 3.01Å; N69-S72 PolarHBondContact O-N 2.95Å; N69-G119 PolarHBondContact ND2-O 3.39Å
70	K	85.5	Confident	91	Very high	50 Å²	50	34.6 Å²	34.6	22%	0.217	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-2.7	-178.1	-59.2	-72.3	-167.7	174	0	116.7	W22 V32	W22-K70 HydrophobicContact CD2-CD 4.08Å; W22-K70 HydrophobicContact CE3-CD 4.41Å; W22-K70 HydrophobicContact CH2-CD 4.37Å; W22-K70 HydrophobicContact CZ2-CD 4.06Å; W22-K70 HydrophobicContact CZ2-CG 4.5Å; W22-K70 PolarHBondContact O-NZ 3.04Å; V32-K70 WeakPolarHBondContact O-CE 3.5Å
71	Q	85	Confident	91.1	Very high	116 Å²	116	34.3 Å²	34.3	54%	0.542	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-5.5	173.2	-60.3	79.3	31.1	0	0	114.3	N69 H96 T97	N69-Q71 PolarHBondContact O-N 3.33Å; Q71-H96 WeakPolarHBondContact O-CA 3.38Å; Q71-T97 PolarHBondContact O-N 3.26Å; Q71-T97 VanDerWaalsContact O-N 3.14Å; Q71-T97 PolarHBondContact O-OG1 2.86Å
72	S	90	Very high	91.2	Very high	19 Å²	19	35.4 Å²	35.4	13%	0.133	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	137.5	-169.7	67.3	0	0	0	0	113.4	N69 T97	N69-S72 PolarHBondContact N-O 3.35Å; N69-S72 PolarHBondContact ND2-OG 3.01Å; N69-S72 PolarHBondContact O-N 2.95Å; S72-T97 CarbonylContact C-O 3.6Å; S72-T97 VanDerWaalsContact CA-O 3.28Å; S72-T97 WeakPolarHBondContact CA-O 3.3Å
73	M	92.9	Very high	91.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.7	166.2	179.1	-172	-179.4	0	0	108.9	F11 L15 F57 I66 V67 F68 V75 T97 V98 V99	F11-M73 HydrophobicContact CE2-CE 4.13Å; F11-M73 HydrophobicContact CE2-SD 4.02Å; F11-M73 HydrophobicContact CZ-CE 4.39Å; F11-M73 HydrophobicContact CZ-SD 3.71Å; L15-M73 HydrophobicContact CD1-SD 3.95Å; F57-M73 HydrophobicContact CE1-CE 3.88Å; F57-M73 HydrophobicContact CZ-CE 3.46Å; F57-M73 VanDerWaalsContact CZ-CE 3.46Å; I66-M73 HydrophobicContact CD1-CE 4.24Å; I66-M73 HydrophobicContact CG2-CE 3.79Å; I66-M73 HydrophobicContact CG2-CG 4.01Å; V67-M73 CarbonylContact O-C 3.43Å; F68-M73 HydrophobicContact CD1-CB 4.07Å; F68-M73 HydrophobicContact CD1-CG 3.76Å; F68-M73 HydrophobicContact CD1-SD 4.24Å; F68-M73 HydrophobicContact CE1-CB 4.41Å; F68-M73 HydrophobicContact CE1-CE 3.73Å; F68-M73 HydrophobicContact CE1-CG 3.69Å; F68-M73 HydrophobicContact CE1-SD 3.66Å; F68-M73 HydrophobicContact CZ-CE 3.88Å; F68-M73 HydrophobicContact CZ-CG 4.43Å; F68-M73 HydrophobicContact CZ-SD 4.41Å; M73-V75 HydrophobicContact CE-CG2 3.94Å; M73-V75 HydrophobicContact CG-CG2 4.24Å; M73-T97 PolarHBondContact N-O 2.87Å; M73-V98 HydrophobicContact CB-CG2 4.42Å; M73-V98 CarbonylContact O-C 3.56Å; M73-V98 WeakPolarHBondContact O-CA 3.44Å; M73-V98 HydrophobicContact SD-CG2 4.33Å; M73-V99 PolarHBondContact O-N 3.35Å
74	I	93.8	Very high	91.4	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.067	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.1	-179.6	-44.8	176.8	0	0	0	108.2	I66 V67 V99 I101 L116	I66-I74 CarbonylContact C-O 3.58Å; I66-I74 WeakPolarHBondContact CA-O 3.33Å; V67-I74 HydrophobicContact CB-CB 4.47Å; V67-I74 PolarHBondContact N-O 2.89Å; V67-I74 PolarHBondContact O-N 2.98Å; I74-V99 CarbonylContact C-O 3.54Å; I74-V99 WeakPolarHBondContact CA-O 3.48Å; I74-V99 HydrophobicContact CG1-CB 4.38Å; I74-V99 HydrophobicContact CG2-CB 4.23Å; I74-V99 HydrophobicContact CG2-CG1 4.23Å; I74-I101 HydrophobicContact CG2-CD1 3.46Å; I74-I101 VanDerWaalsContact CG2-CD1 3.46Å; I74-I101 HydrophobicContact CG2-CG1 4.08Å; I74-L116 HydrophobicContact CB-CD2 4.1Å; I74-L116 HydrophobicContact CG2-CD2 3.66Å
75	V	94.9	Very high	91.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.5	-178.5	-174.5	0	0	0	0	110.1	T64 I66 M73 C77 L85 V99 L100 I101	T64-V75 HydrophobicContact CG2-CG1 3.68Å; I66-V75 HydrophobicContact CG1-CG1 4.18Å; I66-V75 HydrophobicContact CG1-CG2 4.22Å; I66-V75 HydrophobicContact CG2-CG2 4.19Å; M73-V75 HydrophobicContact CE-CG2 3.94Å; M73-V75 HydrophobicContact CG-CG2 4.24Å; V75-C77 HydrophobicContact CG1-CB 4.31Å; V75-L85 HydrophobicContact CB-CD1 4.22Å; V75-L85 HydrophobicContact CG1-CD1 3.7Å; V75-L85 HydrophobicContact CG2-CD1 4.29Å; V75-V99 PolarHBondContact N-O 3.4Å; V75-L100 HydrophobicContact CB-CD2 4.03Å; V75-L100 HydrophobicContact CG2-CD2 4.38Å; V75-L100 CarbonylContact O-C 3.51Å; V75-I101 PolarHBondContact O-N 3.18Å
76	L	95	Very high	91.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.6	172.7	-175.4	162.3	0	0	0	109.3	T64 V65 I101 R103 L113 L116 L141	T64-L76 VanDerWaalsContact CA-O 3.29Å; T64-L76 WeakPolarHBondContact CA-O 3.31Å; V65-L76 PolarHBondContact N-O 2.79Å; V65-L76 PolarHBondContact O-N 2.71Å; L76-I101 WeakPolarHBondContact CA-O 3.47Å; L76-I101 HydrophobicContact CB-CB 4.14Å; L76-I101 HydrophobicContact CB-CG2 4.4Å; L76-I101 HydrophobicContact CD1-CG2 4.1Å; L76-I101 HydrophobicContact CG-CB 4.28Å; L76-I101 HydrophobicContact CG-CG2 4.01Å; L76-R103 HydrophobicContact CD2-CG 3.52Å; L76-L113 HydrophobicContact CD1-CD2 4.46Å; L76-L116 HydrophobicContact CB-CD1 3.91Å; L76-L116 HydrophobicContact CB-CD2 4.17Å; L76-L116 HydrophobicContact CB-CG 4.3Å; L76-L116 HydrophobicContact CD1-CD1 3.83Å; L76-L116 HydrophobicContact CD1-CG 4.19Å; L76-L116 HydrophobicContact CG-CD1 4.5Å; L76-L141 HydrophobicContact CD2-CD1 3.55Å; L76-L141 HydrophobicContact CD2-CD2 3.78Å; L76-L141 HydrophobicContact CD2-CG 4.29Å
77	C	93.2	Very high	90.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	162.2	-174.3	63	0	0	0	0	113.5	T64 V75 K81 L82 I101 R103	T64-C77 HydrophobicContact CG2-CB 3.77Å; T64-C77 VanDerWaalsContact OG1-CB 3.31Å; T64-C77 WeakPolarHBondContact OG1-CB 3.5Å; V75-C77 HydrophobicContact CG1-CB 4.31Å; C77-K81 HydrophobicContact CB-CB 3.97Å; C77-L82 PolarHBondContact SG-N 2.89Å; C77-L82 VanDerWaalsContact SG-N 3.38Å; C77-I101 PolarHBondContact N-O 3.14Å; C77-I101 VanDerWaalsContact N-O 3.15Å; C77-R103 PolarHBondContact O-N 2.99Å
78	G	91.3	Very high	90.6	Very high	25 Å²	25	40.1 Å²	40.1	26%	0.258	20%	0.195	S	C	.	.			trans	-69.3	151.3	176.6	0	0	0	0	0	112.7	K80 K81 L82	G78-K80 PolarHBondContact O-N 3.16Å; G78-K80 VanDerWaalsContact O-N 3.09Å; G78-K81 WeakPolarHBondContact O-CA 3.18Å; G78-K81 WeakPolarHBondContact O-CB 2.8Å; G78-K81 PolarHBondContact O-N 3.2Å; G78-L82 PolarHBondContact O-N 2.97Å; G78-L82 VanDerWaalsContact O-N 3.16Å
79	K	89.7	Confident	90.1	Very high	159 Å²	159	43.1 Å²	43.1	69%	0.691	21%	0.209	S	C	*	.	H	α-helix	trans	-42.3	-53.2	-168.4	-169.2	-172.4	170.5	-175.7	0	114.8	K81 L82 D83	K79-K81 PolarHBondContact O-N 3.36Å; K79-K81 VanDerWaalsContact O-N 3.16Å; K79-L82 CarbonylContact O-C 3.56Å; K79-L82 WeakPolarHBondContact O-CA 3.46Å; K79-L82 WeakPolarHBondContact O-CB 3.21Å; K79-L82 PolarHBondContact O-N 3.15Å; K79-D83 VanDerWaalsContact O-CG 3.25Å; K79-D83 PolarHBondContact O-N 2.88Å
80	K	88.6	Confident	89.6	Confident	187 Å²	187	50.1 Å²	50.1	81%	0.813	25%	0.246	S	C	*	.	H	α-helix	trans	-54.6	-36.1	179.9	-67	-171.4	176.9	-172.7	0	113.7	G78 F84	G78-K80 PolarHBondContact O-N 3.16Å; G78-K80 VanDerWaalsContact O-N 3.09Å; K80-F84 PolarHBondContact O-N 2.83Å
81	K	90.1	Very high	89.5	Confident	42 Å²	42	53.7 Å²	53.7	18%	0.183	26%	0.258	C	S	.	.	H	α-helix	trans	-79.1	-32.3	179.1	-70.7	167.8	179.3	163.1	0	111.4	L61 Q62 C77 G78 K79 F84 L85	L61-K81 HydrophobicContact CD2-CB 4.15Å; L61-K81 HydrophobicContact CD2-CD 4.35Å; L61-K81 HydrophobicContact CD2-CG 3.98Å; Q62-K81 VanDerWaalsContact C-NZ 3.35Å; Q62-K81 WeakPolarHBondContact O-CD 3.45Å; Q62-K81 PolarHBondContact O-NZ 3.29Å; C77-K81 HydrophobicContact CB-CB 3.97Å; G78-K81 WeakPolarHBondContact O-CA 3.18Å; G78-K81 WeakPolarHBondContact O-CB 2.8Å; G78-K81 PolarHBondContact O-N 3.2Å; K79-K81 PolarHBondContact O-N 3.36Å; K79-K81 VanDerWaalsContact O-N 3.16Å; K81-F84 PolarHBondContact O-N 2.84Å; K81-L85 WeakPolarHBondContact O-CG 3.38Å; K81-L85 PolarHBondContact O-N 3.05Å
82	L	90.5	Very high	89.4	Confident	23 Å²	23	57.2 Å²	57.2	12%	0.12	27%	0.267	C	S	.	.	H	α-helix	trans	-66.8	-43.3	169.9	-166.2	149.7	0	0	0	110.8	C77 G78 K79 F84 L85 H86 L100 P102	C77-L82 PolarHBondContact SG-N 2.89Å; C77-L82 VanDerWaalsContact SG-N 3.38Å; G78-L82 PolarHBondContact O-N 2.97Å; G78-L82 VanDerWaalsContact O-N 3.16Å; K79-L82 CarbonylContact O-C 3.56Å; K79-L82 WeakPolarHBondContact O-CA 3.46Å; K79-L82 WeakPolarHBondContact O-CB 3.21Å; K79-L82 PolarHBondContact O-N 3.15Å; L82-F84 VanDerWaalsContact C-N 3.28Å; L82-F84 PolarHBondContact O-N 3.33Å; L82-L85 CarbonylContact O-C 3.59Å; L82-L85 PolarHBondContact O-N 2.8Å; L82-L85 VanDerWaalsContact O-N 3.14Å; L82-H86 WeakPolarHBondContact O-CB 3.39Å; L82-H86 PolarHBondContact O-N 2.97Å; L82-L100 HydrophobicContact CD1-CB 3.92Å; L82-L100 HydrophobicContact CD2-CD1 4.37Å; L82-L100 HydrophobicContact CG-CB 3.97Å; L82-L100 HydrophobicContact CG-CD1 4.14Å; L82-P102 HydrophobicContact CD1-CB 3.88Å; L82-P102 HydrophobicContact CD1-CG 4.4Å; L82-P102 VanDerWaalsContact CD1-N 3.35Å
83	D	90	Very high	89.1	Confident	56 Å²	56	56.4 Å²	56.4	30%	0.299	26%	0.261	S	S	.	.	H	α-helix	trans	-57.9	-40.8	175.8	-63.2	-38.1	0	0	0	111.1	K79 H86 R800	K79-D83 VanDerWaalsContact O-CG 3.25Å; K79-D83 PolarHBondContact O-N 2.88Å; D83-H86 WeakPolarHBondContact O-CB 3.44Å; D83-R800 PolarHBondContact O-NH1 3.48Å; D83-R800 PolarHBondContact O-NH2 3.01Å
84	F	89.9	Confident	88.5	Confident	29 Å²	29	59 Å²	59	13%	0.127	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-42.5	173.4	169.9	-100.7	0	0	0	113.3	L4 L6 F57 L61 K80 K81 L82 P87	L4-F84 HydrophobicContact CB-CD2 4.3Å; L4-F84 HydrophobicContact CB-CE2 4.11Å; L4-F84 VanDerWaalsContact O-CD2 3.28Å; L4-F84 WeakPolarHBondContact O-CD2 3.38Å; L4-F84 WeakPolarHBondContact O-CE2 2.97Å; L6-F84 HydrophobicContact CB-CE1 4.3Å; L6-F84 HydrophobicContact CB-CE2 3.95Å; L6-F84 HydrophobicContact CB-CZ 3.77Å; L6-F84 HydrophobicContact CD1-CE1 4.34Å; L6-F84 HydrophobicContact CD1-CZ 4.14Å; L6-F84 HydrophobicContact CG-CZ 4.45Å; F57-F84 HydrophobicContact CB-CE1 4.26Å; L61-F84 HydrophobicContact CD2-CD1 4.13Å; L61-F84 HydrophobicContact CD2-CE1 4.3Å; K80-F84 PolarHBondContact O-N 2.83Å; K81-F84 PolarHBondContact O-N 2.84Å; L82-F84 VanDerWaalsContact C-N 3.28Å; L82-F84 PolarHBondContact O-N 3.33Å; F84-P87 WeakPolarHBondContact O-CD 3.38Å
85	L	92.2	Very high	87.9	Confident	1 Å²	1	65 Å²	65	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-78.5	-14.9	178	-68.2	-176.5	0	0	0	114.4	L6 F57 L61 V75 K81 L82 P87 L88 L100	L6-L85 HydrophobicContact CD2-CD2 3.99Å; F57-L85 HydrophobicContact CD1-CD2 3.61Å; F57-L85 HydrophobicContact CE1-CD2 3.54Å; F57-L85 HydrophobicContact CG-CD2 4.46Å; F57-L85 HydrophobicContact CZ-CD2 4.37Å; L61-L85 HydrophobicContact CD1-CD1 3.81Å; L61-L85 HydrophobicContact CD1-CD2 4.14Å; L61-L85 HydrophobicContact CD1-CG 4.21Å; V75-L85 HydrophobicContact CB-CD1 4.22Å; V75-L85 HydrophobicContact CG1-CD1 3.7Å; V75-L85 HydrophobicContact CG2-CD1 4.29Å; K81-L85 WeakPolarHBondContact O-CG 3.38Å; K81-L85 PolarHBondContact O-N 3.05Å; L82-L85 CarbonylContact O-C 3.59Å; L82-L85 PolarHBondContact O-N 2.8Å; L82-L85 VanDerWaalsContact O-N 3.14Å; L85-P87 VanDerWaalsContact C-N 3.26Å; L85-P87 WeakPolarHBondContact O-CD 3.38Å; L85-P87 VanDerWaalsContact O-N 3.08Å; L85-L88 HydrophobicContact CD2-CD1 4.07Å; L85-L88 VanDerWaalsContact O-CB 3.31Å; L85-L88 WeakPolarHBondContact O-CB 3.18Å; L85-L88 WeakPolarHBondContact O-CG 3.29Å; L85-L88 PolarHBondContact O-N 2.96Å; L85-L100 HydrophobicContact CB-CD1 3.91Å; L85-L100 HydrophobicContact CB-CD2 3.89Å; L85-L100 HydrophobicContact CD1-CD2 4Å
86	H	89.6	Confident	87.6	Confident	83 Å²	83	65.8 Å²	65.8	38%	0.384	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-49.2	-32.6	-178.5	-162.5	-20.7	0	0	0	115.1	L82 D83 L88 E89	L82-H86 WeakPolarHBondContact O-CB 3.39Å; L82-H86 PolarHBondContact O-N 2.97Å; D83-H86 WeakPolarHBondContact O-CB 3.44Å; H86-L88 PolarHBondContact O-N 2.83Å; H86-E89 IonicContact CE1-OE2 3.31Å; H86-E89 IonicContact ND1-OE2 2.69Å; H86-E89 WeakPolarHBondContact O-CB 3.28Å; H86-E89 PolarHBondContact O-N 2.76Å
87	P	88.8	Confident	87.3	Confident	36 Å²	36	68.1 Å²	68.1	23%	0.234	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-61.6	-18.5	173.8	-23.6	36	0	0	0	115.5	I8 F84 L85 R91	I8-P87 HydrophobicContact CD1-CB 3.63Å; I8-P87 HydrophobicContact CG1-CB 4.46Å; F84-P87 WeakPolarHBondContact O-CD 3.38Å; L85-P87 VanDerWaalsContact C-N 3.26Å; L85-P87 WeakPolarHBondContact O-CD 3.38Å; L85-P87 VanDerWaalsContact O-N 3.08Å; P87-R91 WeakPolarHBondContact O-CD 3.45Å; P87-R91 PolarHBondContact O-NE 2.95Å
88	L	89.5	Confident	87.3	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-80.7	-27.9	172	-55.5	-178.3	0	0	0	112.6	L6 I8 F11 L85 H86 R91 F93 V98	L6-L88 HydrophobicContact CD2-CD1 3.8Å; L6-L88 HydrophobicContact CD2-CD2 3.67Å; L6-L88 HydrophobicContact CD2-CG 3.58Å; I8-L88 HydrophobicContact CG1-CD2 4.44Å; I8-L88 HydrophobicContact CG2-CD2 4.16Å; F11-L88 HydrophobicContact CD1-CD1 4.24Å; F11-L88 HydrophobicContact CD1-CD2 3.49Å; F11-L88 VanDerWaalsContact CD1-CD2 3.49Å; F11-L88 HydrophobicContact CD2-CD1 4.28Å; F11-L88 HydrophobicContact CE1-CD1 3.79Å; F11-L88 HydrophobicContact CE1-CD2 3.66Å; F11-L88 HydrophobicContact CE1-CG 4.31Å; F11-L88 HydrophobicContact CE2-CD1 3.85Å; F11-L88 HydrophobicContact CG-CD1 4.48Å; F11-L88 HydrophobicContact CG-CD2 4.02Å; F11-L88 HydrophobicContact CZ-CD1 3.58Å; F11-L88 HydrophobicContact CZ-CD2 4.32Å; L85-L88 HydrophobicContact CD2-CD1 4.07Å; L85-L88 VanDerWaalsContact O-CB 3.31Å; L85-L88 WeakPolarHBondContact O-CB 3.18Å; L85-L88 WeakPolarHBondContact O-CG 3.29Å; L85-L88 PolarHBondContact O-N 2.96Å; H86-L88 PolarHBondContact O-N 2.83Å; L88-R91 WeakPolarHBondContact O-CB 3.37Å; L88-R91 PolarHBondContact O-N 3.46Å; L88-R91 VanDerWaalsContact O-N 3.08Å; L88-F93 HydrophobicContact CB-CE2 4.28Å; L88-F93 HydrophobicContact CB-CZ 4.26Å; L88-F93 HydrophobicContact CD2-CE1 4.44Å; L88-F93 HydrophobicContact CD2-CE2 4.33Å; L88-F93 HydrophobicContact CD2-CZ 3.67Å; L88-V98 HydrophobicContact CB-CB 4.25Å; L88-V98 HydrophobicContact CB-CG1 4.11Å; L88-V98 HydrophobicContact CB-CG2 4.3Å; L88-V98 HydrophobicContact CD1-CG1 4.3Å; L88-V98 HydrophobicContact CD1-CG2 4.45Å
89	E	81.7	Confident	87.4	Confident	63 Å²	63	70.4 Å²	70.4	29%	0.294	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	136.4	-175	-162.9	172.6	-138.1	0	0	110.4	H86 R91 L100	H86-E89 IonicContact CE1-OE2 3.31Å; H86-E89 IonicContact ND1-OE2 2.69Å; H86-E89 WeakPolarHBondContact O-CB 3.28Å; H86-E89 PolarHBondContact O-N 2.76Å; E89-R91 PolarHBondContact O-N 2.99Å; E89-L100 HydrophobicContact CB-CD1 4.02Å; E89-L100 HydrophobicContact CB-CG 4.48Å
90	N	78.4	Confident	87.5	Confident	149 Å²	149	63.5 Å²	63.5	80%	0.797	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	3.1	-169.9	-44.9	-87.5	0	0	0	115.8
91	R	84.6	Confident	87.8	Confident	124 Å²	124	55 Å²	55	47%	0.468	28%	0.28	S	S	.	.			trans	-85.4	160.4	164.7	-59.2	-167.2	-173.2	-134.3	-1.8	111.3	I8 P87 L88 E89 F93	I8-R91 VanDerWaalsContact CD1-CZ 3.44Å; I8-R91 VanDerWaalsContact CD1-NH2 3.28Å; P87-R91 WeakPolarHBondContact O-CD 3.45Å; P87-R91 PolarHBondContact O-NE 2.95Å; L88-R91 WeakPolarHBondContact O-CB 3.37Å; L88-R91 PolarHBondContact O-N 3.46Å; L88-R91 VanDerWaalsContact O-N 3.08Å; E89-R91 PolarHBondContact O-N 2.99Å; R91-F93 HydrophobicContact CB-CE1 4.25Å; R91-F93 HydrophobicContact CB-CE2 3.78Å; R91-F93 HydrophobicContact CB-CZ 3.59Å; R91-F93 HydrophobicContact CG-CZ 4.31Å
92	R	82.8	Confident	87.9	Confident	190 Å²	190	56.8 Å²	56.8	72%	0.717	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.4	165.8	-75.7	-172	174.2	-156.7	-2.7	108.6	H96 T97	R92-H96 WeakPolarHBondContact CA-O 3.37Å; R92-T97 HydrophobicContact CG-CG2 4.22Å
93	F	83.9	Confident	87.9	Confident	2 Å²	2	59 Å²	59	1%	0.009	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	85.1	-178.4	-59.1	-76	0	0	0	107.4	I8 F11 E12 L15 L88 R91 N95 H96 V98	I8-F93 HydrophobicContact CG2-CE1 3.95Å; I8-F93 HydrophobicContact CG2-CZ 4.3Å; F11-F93 HydrophobicContact CD1-CD1 4.36Å; F11-F93 AromaticContact CD1-CE1 3.97Å; F11-F93 HydrophobicContact CD1-CE1 3.97Å; F11-F93 HydrophobicContact CD1-CE2 4.5Å; F11-F93 HydrophobicContact CD1-CZ 4.05Å; F11-F93 HydrophobicContact CE1-CD1 4.3Å; F11-F93 HydrophobicContact CE1-CD2 4.05Å; F11-F93 HydrophobicContact CE1-CE1 4.07Å; F11-F93 AromaticContact CE1-CE2 3.83Å; F11-F93 HydrophobicContact CE1-CE2 3.83Å; F11-F93 HydrophobicContact CE1-CG 4.28Å; F11-F93 AromaticContact CE1-CZ 3.83Å; F11-F93 HydrophobicContact CE1-CZ 3.83Å; E12-F93 HydrophobicContact CB-CD1 3.72Å; E12-F93 HydrophobicContact CB-CE1 4.12Å; E12-F93 HydrophobicContact CG-CD1 3.78Å; L15-F93 HydrophobicContact CD2-CB 3.9Å; L15-F93 HydrophobicContact CD2-CD2 4.29Å; L15-F93 HydrophobicContact CD2-CG 4.16Å; L88-F93 HydrophobicContact CB-CE2 4.28Å; L88-F93 HydrophobicContact CB-CZ 4.26Å; L88-F93 HydrophobicContact CD2-CE1 4.44Å; L88-F93 HydrophobicContact CD2-CE2 4.33Å; L88-F93 HydrophobicContact CD2-CZ 3.67Å; R91-F93 HydrophobicContact CB-CE1 4.25Å; R91-F93 HydrophobicContact CB-CE2 3.78Å; R91-F93 HydrophobicContact CB-CZ 3.59Å; R91-F93 HydrophobicContact CG-CZ 4.31Å; F93-N95 PolarHBondContact O-N 2.73Å; F93-H96 PolarHBondContact N-O 3.17Å; F93-H96 WeakPolarHBondContact O-CB 3.28Å; F93-H96 PolarHBondContact O-N 2.87Å; F93-H96 PolarHBondContact O-ND1 3.45Å; F93-V98 HydrophobicContact CD2-CG2 3.86Å; F93-V98 HydrophobicContact CE2-CG2 3.65Å
94	G	80.9	Confident	87.9	Confident	55 Å²	55	59.2 Å²	59.2	57%	0.567	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	-119.1	-160.3	0	0	0	0	0	111.6	H96	G94-H96 VanDerWaalsContact C-N 3.34Å
95	N	81.4	Confident	87.7	Confident	138 Å²	138	63.1 Å²	63.1	74%	0.738	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-11.1	176.5	-68.7	-33.2	0	0	0	113.7	F93	F93-N95 PolarHBondContact O-N 2.73Å
96	H	87	Confident	87.4	Confident	19 Å²	19	69.1 Å²	69.1	9%	0.088	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	148.7	-169.1	-45.1	99.7	0	0	0	112.5	Y19 Q71 R92 F93 G94	Y19-H96 AromaticContact CD1-CD2 3.76Å; Y19-H96 AromaticContact CD1-NE2 3.49Å; Y19-H96 WeakPolarHBondContact CD1-NE2 3.35Å; Y19-H96 AromaticContact CD2-CD2 3.81Å; Y19-H96 AromaticContact CD2-CE1 3.68Å; Y19-H96 AromaticContact CD2-CG 3.76Å; Y19-H96 AromaticContact CD2-ND1 3.68Å; Y19-H96 AromaticContact CD2-NE2 3.79Å; Y19-H96 AromaticContact CE1-CD2 3.68Å; Y19-H96 AromaticContact CE1-NE2 3.93Å; Y19-H96 HydrophobicContact CE2-CB 4.12Å; Y19-H96 AromaticContact CE2-CD2 3.73Å; Y19-H96 AromaticContact CE2-CG 3.66Å; Y19-H96 AromaticContact CG-CD2 3.83Å; Y19-H96 AromaticContact CG-CE1 3.55Å; Y19-H96 AromaticContact CG-NE2 3.43Å; Y19-H96 AromaticContact CZ-CD2 3.68Å; Q71-H96 WeakPolarHBondContact O-CA 3.38Å; R92-H96 WeakPolarHBondContact CA-O 3.37Å; F93-H96 PolarHBondContact N-O 3.17Å; F93-H96 WeakPolarHBondContact O-CB 3.28Å; F93-H96 PolarHBondContact O-N 2.87Å; F93-H96 PolarHBondContact O-ND1 3.45Å; G94-H96 VanDerWaalsContact C-N 3.34Å
97	T	90.1	Very high	87.5	Confident	48 Å²	48	67.3 Å²	67.3	29%	0.294	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	147.4	177.1	49.5	0	0	0	0	111.1	Q71 S72 M73 R92	Q71-T97 PolarHBondContact O-N 3.26Å; Q71-T97 VanDerWaalsContact O-N 3.14Å; Q71-T97 PolarHBondContact O-OG1 2.86Å; S72-T97 CarbonylContact C-O 3.6Å; S72-T97 VanDerWaalsContact CA-O 3.28Å; S72-T97 WeakPolarHBondContact CA-O 3.3Å; M73-T97 PolarHBondContact N-O 2.87Å; R92-T97 HydrophobicContact CG-CG2 4.22Å
98	V	92.3	Very high	87.4	Confident	11 Å²	11	71.5 Å²	71.5	7%	0.067	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.1	172.6	178.8	0	0	0	0	108.9	F11 M73 L88 F93 L100	F11-V98 HydrophobicContact CE1-CG2 4.31Å; F11-V98 HydrophobicContact CZ-CG2 4.16Å; M73-V98 HydrophobicContact CB-CG2 4.42Å; M73-V98 CarbonylContact O-C 3.56Å; M73-V98 WeakPolarHBondContact O-CA 3.44Å; M73-V98 HydrophobicContact SD-CG2 4.33Å; L88-V98 HydrophobicContact CB-CB 4.25Å; L88-V98 HydrophobicContact CB-CG1 4.11Å; L88-V98 HydrophobicContact CB-CG2 4.3Å; L88-V98 HydrophobicContact CD1-CG1 4.3Å; L88-V98 HydrophobicContact CD1-CG2 4.45Å; F93-V98 HydrophobicContact CD2-CG2 3.86Å; F93-V98 HydrophobicContact CE2-CG2 3.65Å; V98-L100 HydrophobicContact CG1-CD2 3.77Å; V98-L100 HydrophobicContact CG1-CG 4.38Å
99	V	92.7	Very high	87.4	Confident	63 Å²	63	71.8 Å²	71.8	38%	0.382	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	113.7	-179.4	179.4	0	0	0	0	108.6	M73 I74 V75	M73-V99 PolarHBondContact O-N 3.35Å; I74-V99 CarbonylContact C-O 3.54Å; I74-V99 WeakPolarHBondContact CA-O 3.48Å; I74-V99 HydrophobicContact CG1-CB 4.38Å; I74-V99 HydrophobicContact CG2-CB 4.23Å; I74-V99 HydrophobicContact CG2-CG1 4.23Å; V75-V99 PolarHBondContact N-O 3.4Å
100	L	93.4	Very high	87.8	Confident	14 Å²	14	75.5 Å²	75.5	7%	0.073	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.4	179.5	-54.9	-177.7	0	0	0	110.6	V75 L82 L85 E89 V98	V75-L100 HydrophobicContact CB-CD2 4.03Å; V75-L100 HydrophobicContact CG2-CD2 4.38Å; V75-L100 CarbonylContact O-C 3.51Å; L82-L100 HydrophobicContact CD1-CB 3.92Å; L82-L100 HydrophobicContact CD2-CD1 4.37Å; L82-L100 HydrophobicContact CG-CB 3.97Å; L82-L100 HydrophobicContact CG-CD1 4.14Å; L85-L100 HydrophobicContact CB-CD1 3.91Å; L85-L100 HydrophobicContact CB-CD2 3.89Å; L85-L100 HydrophobicContact CD1-CD2 4Å; E89-L100 HydrophobicContact CB-CD1 4.02Å; E89-L100 HydrophobicContact CB-CG 4.48Å; V98-L100 HydrophobicContact CG1-CD2 3.77Å; V98-L100 HydrophobicContact CG1-CG 4.38Å
101	I	93.6	Very high	88.5	Confident	7 Å²	7	71.2 Å²	71.2	4%	0.036	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113.6	179.8	-58.9	179.6	0	0	0	108.1	I74 V75 L76 C77 K115 L116	I74-I101 HydrophobicContact CG2-CD1 3.46Å; I74-I101 VanDerWaalsContact CG2-CD1 3.46Å; I74-I101 HydrophobicContact CG2-CG1 4.08Å; V75-I101 PolarHBondContact O-N 3.18Å; L76-I101 WeakPolarHBondContact CA-O 3.47Å; L76-I101 HydrophobicContact CB-CB 4.14Å; L76-I101 HydrophobicContact CB-CG2 4.4Å; L76-I101 HydrophobicContact CD1-CG2 4.1Å; L76-I101 HydrophobicContact CG-CB 4.28Å; L76-I101 HydrophobicContact CG-CG2 4.01Å; C77-I101 PolarHBondContact N-O 3.14Å; C77-I101 VanDerWaalsContact N-O 3.15Å; I101-K115 HydrophobicContact CD1-CB 3.62Å; I101-K115 HydrophobicContact CD1-CD 3.9Å; I101-K115 HydrophobicContact CD1-CG 4.45Å; I101-K115 HydrophobicContact CG1-CD 4.41Å; I101-L116 HydrophobicContact CD1-CD2 4.22Å
102	P	92.7	Very high	88.8	Confident	81 Å²	81	65.7 Å²	65.7	53%	0.526	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	135.7	173.7	26.8	-32.3	0	0	0	110	L82	L82-P102 HydrophobicContact CD1-CB 3.88Å; L82-P102 HydrophobicContact CD1-CG 4.4Å; L82-P102 VanDerWaalsContact CD1-N 3.35Å
103	R	91.6	Very high	89.3	Confident	70 Å²	70	56.9 Å²	56.9	26%	0.264	33%	0.328	S	S	.	.			trans	-57.5	139	164	-76.4	-171	75.5	-178.1	-1.6	111.1	L76 C77 D109	L76-R103 HydrophobicContact CD2-CG 3.52Å; C77-R103 PolarHBondContact O-N 2.99Å; R103-D109 WeakPolarHBondContact CA-OD1 2.9Å; R103-D109 WeakPolarHBondContact CB-OD1 3.49Å; R103-D109 WeakPolarHBondContact CG-OD1 3.31Å; R103-D109 IonicContact CZ-OD2 2.63Å; R103-D109 IonicContact NE-OD1 2.76Å; R103-D109 IonicContact NE-OD2 2.69Å; R103-D109 PolarHBondContact NE-OD2 3.1Å; R103-D109 IonicContact NH2-OD2 2.87Å; R103-D109 PolarHBondContact NH2-OD2 3.11Å
104	N	89.6	Confident	89.7	Confident	59 Å²	59	63 Å²	63	32%	0.316	36%	0.355	S	S	.	.			trans	-123.4	101.2	177.2	179	28.5	0	0	0	110.4	T106 D107 K108 D109	N104-T106 PolarHBondContact ND2-OG1 3.17Å; N104-T106 PolarHBondContact O-N 2.79Å; N104-T106 PolarHBondContact OD1-N 2.88Å; N104-T106 PolarHBondContact OD1-OG1 2.68Å; N104-D107 WeakPolarHBondContact CB-OD1 3.07Å; N104-D107 VanDerWaalsContact ND2-CG 3.32Å; N104-D107 PolarHBondContact ND2-OD1 2.97Å; N104-K108 PolarHBondContact O-N 2.72Å; N104-D109 PolarHBondContact N-OD1 3.05Å; N104-D109 PolarHBondContact O-N 2.97Å
105	P	84.6	Confident	90.3	Very high	111 Å²	111	66.2 Å²	66.2	72%	0.721	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-60.1	-25.4	176	-25.8	35.7	0	0	0	114	D107 K108	P105-D107 PolarHBondContact O-N 2.94Å; P105-K108 PolarHBondContact O-N 2.87Å
106	T	87.3	Confident	90.8	Very high	127 Å²	127	59.7 Å²	59.7	78%	0.779	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-72	-27.7	-172.1	65.7	0	0	0	0	114.1	N104	N104-T106 PolarHBondContact ND2-OG1 3.17Å; N104-T106 PolarHBondContact O-N 2.79Å; N104-T106 PolarHBondContact OD1-N 2.88Å; N104-T106 PolarHBondContact OD1-OG1 2.68Å
107	D	91.2	Very high	91	Very high	46 Å²	46	59 Å²	59	25%	0.246	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-111.8	12.4	174.4	79.2	-34.1	0	0	0	113.4	N104 P105 D109 K110 A111	N104-D107 WeakPolarHBondContact CB-OD1 3.07Å; N104-D107 VanDerWaalsContact ND2-CG 3.32Å; N104-D107 PolarHBondContact ND2-OD1 2.97Å; P105-D107 PolarHBondContact O-N 2.94Å; D107-D109 VanDerWaalsContact C-N 3.34Å; D107-D109 PolarHBondContact OD1-N 3.36Å; D107-K110 WeakPolarHBondContact O-CB 3.21Å; D107-K110 VanDerWaalsContact O-CD 3.3Å; D107-K110 WeakPolarHBondContact O-CD 3.37Å; D107-K110 WeakPolarHBondContact O-CG 3.25Å; D107-K110 PolarHBondContact O-N 2.96Å; D107-K110 PolarHBondContact OD2-N 3.21Å; D107-A111 VanDerWaalsContact OD2-CB 3.24Å; D107-A111 WeakPolarHBondContact OD2-CB 3.21Å; D107-A111 PolarHBondContact OD2-N 2.91Å
108	K	86.9	Confident	91	Very high	123 Å²	123	60.1 Å²	60.1	54%	0.535	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	50.5	-170.2	-70.2	175.2	168.1	-91.3	0	111.8	N104 P105 K110 E140	N104-K108 PolarHBondContact O-N 2.72Å; P105-K108 PolarHBondContact O-N 2.87Å; K108-K110 PolarHBondContact O-N 3.19Å; K108-E140 IonicContact NZ-OE1 2.64Å; K108-E140 PolarHBondContact NZ-OE1 3.37Å
109	D	89.3	Confident	90.8	Very high	8 Å²	8	60 Å²	60	4%	0.043	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	59	5.5	179.1	-62.9	-54.4	0	0	0	116.1	R103 N104 D107 A111 G112 L113 L141	R103-D109 WeakPolarHBondContact CA-OD1 2.9Å; R103-D109 WeakPolarHBondContact CB-OD1 3.49Å; R103-D109 WeakPolarHBondContact CG-OD1 3.31Å; R103-D109 IonicContact CZ-OD2 2.63Å; R103-D109 IonicContact NE-OD1 2.76Å; R103-D109 IonicContact NE-OD2 2.69Å; R103-D109 PolarHBondContact NE-OD2 3.1Å; R103-D109 IonicContact NH2-OD2 2.87Å; R103-D109 PolarHBondContact NH2-OD2 3.11Å; N104-D109 PolarHBondContact N-OD1 3.05Å; N104-D109 PolarHBondContact O-N 2.97Å; D107-D109 VanDerWaalsContact C-N 3.34Å; D107-D109 PolarHBondContact OD1-N 3.36Å; D109-A111 PolarHBondContact O-N 2.99Å; D109-G112 CarbonylContact O-C 3.56Å; D109-G112 WeakPolarHBondContact O-CA 3.34Å; D109-G112 PolarHBondContact O-N 2.88Å; D109-L113 HydrophobicContact CB-CD1 4.44Å; D109-L113 HydrophobicContact CB-CG 4.25Å; D109-L113 PolarHBondContact O-N 3.5Å; D109-L141 HydrophobicContact CB-CD1 4.09Å
110	K	90.3	Very high	90.7	Very high	141 Å²	141	57 Å²	57	61%	0.613	30%	0.302	S	S	*	.	H	α-helix	trans	-55.2	-43.5	-170.4	-76.2	175.3	-175.8	-177.4	0	114.2	D107 K108 G112 L113 K114	D107-K110 WeakPolarHBondContact O-CB 3.21Å; D107-K110 VanDerWaalsContact O-CD 3.3Å; D107-K110 WeakPolarHBondContact O-CD 3.37Å; D107-K110 WeakPolarHBondContact O-CG 3.25Å; D107-K110 PolarHBondContact O-N 2.96Å; D107-K110 PolarHBondContact OD2-N 3.21Å; K108-K110 PolarHBondContact O-N 3.19Å; K110-G112 VanDerWaalsContact C-N 3.26Å; K110-G112 PolarHBondContact O-N 3.42Å; K110-L113 PolarHBondContact O-N 2.61Å; K110-K114 VanDerWaalsContact O-CB 3.3Å; K110-K114 WeakPolarHBondContact O-CB 3.17Å; K110-K114 PolarHBondContact O-N 2.95Å
111	A	91.5	Very high	90.4	Very high	58 Å²	58	60.1 Å²	60.1	48%	0.479	32%	0.315	S	S	.	.	H	α-helix	trans	-67.3	-27.3	176.6	0	0	0	0	0	112.7	D107 D109 K115	D107-A111 VanDerWaalsContact OD2-CB 3.24Å; D107-A111 WeakPolarHBondContact OD2-CB 3.21Å; D107-A111 PolarHBondContact OD2-N 2.91Å; D109-A111 PolarHBondContact O-N 2.99Å; A111-K115 WeakPolarHBondContact O-CG 3.39Å; A111-K115 PolarHBondContact O-N 3.48Å
112	G	92.1	Very high	89.8	Confident	8 Å²	8	64.2 Å²	64.2	8%	0.082	34%	0.344	C	S	.	.	H	α-helix	trans	-77.4	-49.3	172.6	0	0	0	0	0	112.1	D109 K110 K114 K115 L116	D109-G112 CarbonylContact O-C 3.56Å; D109-G112 WeakPolarHBondContact O-CA 3.34Å; D109-G112 PolarHBondContact O-N 2.88Å; K110-G112 VanDerWaalsContact C-N 3.26Å; K110-G112 PolarHBondContact O-N 3.42Å; G112-K114 VanDerWaalsContact C-N 3.27Å; G112-K114 PolarHBondContact O-N 3.14Å; G112-K115 WeakPolarHBondContact O-CB 3.49Å; G112-K115 PolarHBondContact O-N 3.11Å; G112-L116 PolarHBondContact O-N 2.98Å
113	L	93	Very high	88.7	Confident	5 Å²	5	61.2 Å²	61.2	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-55.5	-43.6	175	-68.1	176.3	0	0	0	111.3	L76 D109 K110 K115 L116 V117 L141 F145	L76-L113 HydrophobicContact CD1-CD2 4.46Å; D109-L113 HydrophobicContact CB-CD1 4.44Å; D109-L113 HydrophobicContact CB-CG 4.25Å; D109-L113 PolarHBondContact O-N 3.5Å; K110-L113 PolarHBondContact O-N 2.61Å; L113-K115 PolarHBondContact O-N 3.23Å; L113-L116 HydrophobicContact CD2-CD1 4.44Å; L113-L116 WeakPolarHBondContact O-CB 3.2Å; L113-L116 PolarHBondContact O-N 3.15Å; L113-V117 PolarHBondContact O-N 2.69Å; L113-L141 HydrophobicContact CD2-CD1 3.89Å; L113-F145 HydrophobicContact CD2-CB 3.71Å; L113-F145 HydrophobicContact CD2-CD2 4.05Å; L113-F145 HydrophobicContact CD2-CG 4.36Å
114	K	92.7	Very high	87.5	Confident	131 Å²	131	58.8 Å²	58.8	57%	0.57	32%	0.323	S	S	*	.	H	α-helix	trans	-59.4	-43.3	173.5	180	172.1	176.6	177	0	112.4	K110 G112 L116 V117 D118	K110-K114 VanDerWaalsContact O-CB 3.3Å; K110-K114 WeakPolarHBondContact O-CB 3.17Å; K110-K114 PolarHBondContact O-N 2.95Å; G112-K114 VanDerWaalsContact C-N 3.27Å; G112-K114 PolarHBondContact O-N 3.14Å; K114-L116 VanDerWaalsContact C-N 3.29Å; K114-L116 PolarHBondContact O-N 2.98Å; K114-V117 PolarHBondContact O-N 2.7Å; K114-D118 WeakPolarHBondContact CE-OD2 3.23Å; K114-D118 WeakPolarHBondContact CG-OD2 3.09Å; K114-D118 WeakPolarHBondContact O-CB 3.43Å; K114-D118 PolarHBondContact O-N 2.8Å
115	K	92.6	Very high	86.5	Confident	123 Å²	123	65 Å²	65	54%	0.535	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-34.8	176.1	-77.8	173.4	177.8	-177.5	0	112.8	I101 A111 G112 L113 G119	I101-K115 HydrophobicContact CD1-CB 3.62Å; I101-K115 HydrophobicContact CD1-CD 3.9Å; I101-K115 HydrophobicContact CD1-CG 4.45Å; I101-K115 HydrophobicContact CG1-CD 4.41Å; A111-K115 WeakPolarHBondContact O-CG 3.39Å; A111-K115 PolarHBondContact O-N 3.48Å; G112-K115 WeakPolarHBondContact O-CB 3.49Å; G112-K115 PolarHBondContact O-N 3.11Å; L113-K115 PolarHBondContact O-N 3.23Å; K115-G119 PolarHBondContact O-N 2.77Å
116	L	92.9	Very high	86	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.6	-48.7	173.4	-62.1	178.2	0	0	0	110.8	V65 V67 I74 L76 I101 G112 L113 K114 G119 I120 F145	V65-L116 HydrophobicContact CB-CD1 3.85Å; V65-L116 HydrophobicContact CG1-CD1 3.71Å; V67-L116 HydrophobicContact CB-CD2 4.43Å; V67-L116 HydrophobicContact CG2-CB 4.08Å; V67-L116 HydrophobicContact CG2-CD2 3.94Å; V67-L116 HydrophobicContact CG2-CG 4.43Å; I74-L116 HydrophobicContact CB-CD2 4.1Å; I74-L116 HydrophobicContact CG2-CD2 3.66Å; L76-L116 HydrophobicContact CB-CD1 3.91Å; L76-L116 HydrophobicContact CB-CD2 4.17Å; L76-L116 HydrophobicContact CB-CG 4.3Å; L76-L116 HydrophobicContact CD1-CD1 3.83Å; L76-L116 HydrophobicContact CD1-CG 4.19Å; L76-L116 HydrophobicContact CG-CD1 4.5Å; I101-L116 HydrophobicContact CD1-CD2 4.22Å; G112-L116 PolarHBondContact O-N 2.98Å; L113-L116 HydrophobicContact CD2-CD1 4.44Å; L113-L116 WeakPolarHBondContact O-CB 3.2Å; L113-L116 PolarHBondContact O-N 3.15Å; K114-L116 VanDerWaalsContact C-N 3.29Å; K114-L116 PolarHBondContact O-N 2.98Å; L116-G119 WeakPolarHBondContact O-CA 3.29Å; L116-G119 PolarHBondContact O-N 3.17Å; L116-I120 WeakPolarHBondContact O-CG1 3.44Å; L116-I120 PolarHBondContact O-N 3.04Å; L116-F145 HydrophobicContact CB-CD2 4.43Å; L116-F145 HydrophobicContact CB-CE2 3.89Å; L116-F145 HydrophobicContact CD1-CD2 3.82Å; L116-F145 HydrophobicContact CD1-CE2 3.85Å
117	V	91.7	Very high	85.8	Confident	6 Å²	6	62.7 Å²	62.7	4%	0.036	32%	0.324	C	S	.	.	H	α-helix	trans	-64.1	-45.2	178.8	169.9	0	0	0	0	112.3	L113 K114 G119 I120 K121 E152	L113-V117 PolarHBondContact O-N 2.69Å; K114-V117 PolarHBondContact O-N 2.7Å; V117-G119 PolarHBondContact O-N 2.86Å; V117-I120 WeakPolarHBondContact O-CB 3.45Å; V117-I120 PolarHBondContact O-N 3.01Å; V117-K121 HydrophobicContact CG1-CD 4.3Å; V117-K121 WeakPolarHBondContact O-CG 3.4Å; V117-K121 PolarHBondContact O-N 2.59Å; V117-E152 HydrophobicContact CG1-CG 3.77Å
118	D	90.1	Very high	85.7	Confident	70 Å²	70	62.8 Å²	62.8	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-62.8	-33.1	174.6	-71.6	-18.1	0	0	0	110.9	K114 S122	K114-D118 WeakPolarHBondContact CE-OD2 3.23Å; K114-D118 WeakPolarHBondContact CG-OD2 3.09Å; K114-D118 WeakPolarHBondContact O-CB 3.43Å; K114-D118 PolarHBondContact O-N 2.8Å; D118-S122 PolarHBondContact O-N 2.79Å
119	G	88.1	Confident	85.9	Confident	8 Å²	8	57 Å²	57	8%	0.082	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-51.2	170.4	0	0	0	0	0	112.8	N69 K115 L116 V117 K121 S122	N69-G119 PolarHBondContact ND2-O 3.39Å; K115-G119 PolarHBondContact O-N 2.77Å; L116-G119 WeakPolarHBondContact O-CA 3.29Å; L116-G119 PolarHBondContact O-N 3.17Å; V117-G119 PolarHBondContact O-N 2.86Å; G119-K121 VanDerWaalsContact C-N 3.34Å; G119-K121 PolarHBondContact O-N 3.33Å; G119-S122 WeakPolarHBondContact O-CB 3.28Å; G119-S122 PolarHBondContact O-N 3.4Å; G119-S122 VanDerWaalsContact O-N 3.09Å; G119-S122 PolarHBondContact O-OG 3.3Å
120	I	89.9	Confident	86.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-54.8	-49.6	174.6	-68.8	170.4	0	0	0	110.4	S34 V36 V67 L116 V117 S122 G123 A124 V129 F145 L149 F154	S34-I120 WeakPolarHBondContact OG-CG2 3.41Å; V36-I120 HydrophobicContact CG1-CD1 3.64Å; V36-I120 HydrophobicContact CG1-CG1 4.35Å; V67-I120 HydrophobicContact CG1-CD1 4.33Å; V67-I120 HydrophobicContact CG1-CG1 3.62Å; V67-I120 HydrophobicContact CG2-CD1 4.33Å; V67-I120 HydrophobicContact CG2-CG1 4.44Å; L116-I120 WeakPolarHBondContact O-CG1 3.44Å; L116-I120 PolarHBondContact O-N 3.04Å; V117-I120 WeakPolarHBondContact O-CB 3.45Å; V117-I120 PolarHBondContact O-N 3.01Å; I120-S122 PolarHBondContact O-N 2.85Å; I120-G123 PolarHBondContact O-N 2.98Å; I120-G123 VanDerWaalsContact O-N 3.11Å; I120-A124 WeakPolarHBondContact O-CB 3.46Å; I120-A124 PolarHBondContact O-N 3.04Å; I120-V129 HydrophobicContact CG2-CG2 3.81Å; I120-F145 HydrophobicContact CD1-CZ 4.23Å; I120-L149 HydrophobicContact CD1-CD1 3.57Å; I120-F154 HydrophobicContact CB-CZ 4.37Å; I120-F154 HydrophobicContact CG2-CD1 4.18Å; I120-F154 HydrophobicContact CG2-CD2 4.34Å; I120-F154 HydrophobicContact CG2-CE1 3.66Å; I120-F154 HydrophobicContact CG2-CE2 3.81Å; I120-F154 HydrophobicContact CG2-CZ 3.45Å; I120-F154 VanDerWaalsContact CG2-CZ 3.45Å
121	K	87.1	Confident	86.2	Confident	81 Å²	81	51.6 Å²	51.6	35%	0.352	27%	0.274	S	S	.	.	H	α-helix	trans	-58.5	-31.7	177.4	-71.2	175.4	-179.8	177	0	113.5	V117 G119 G123 E152 F154	V117-K121 HydrophobicContact CG1-CD 4.3Å; V117-K121 WeakPolarHBondContact O-CG 3.4Å; V117-K121 PolarHBondContact O-N 2.59Å; G119-K121 VanDerWaalsContact C-N 3.34Å; G119-K121 PolarHBondContact O-N 3.33Å; K121-G123 VanDerWaalsContact C-N 3.28Å; K121-G123 PolarHBondContact O-N 3.42Å; K121-E152 WeakPolarHBondContact CE-OE1 3.44Å; K121-E152 WeakPolarHBondContact CE-OE2 3.42Å; K121-E152 IonicContact NZ-OE1 3.72Å; K121-E152 PolarHBondContact NZ-OE1 2.84Å; K121-E152 IonicContact NZ-OE2 3.78Å; K121-E152 PolarHBondContact NZ-OE2 3.04Å; K121-F154 HydrophobicContact CG-CZ 3.89Å
122	S	80.1	Confident	86.1	Confident	92 Å²	92	49.3 Å²	49.3	64%	0.643	25%	0.253	S	S	*	.	H	α-helix	trans	-69.6	-24.8	179.2	77.4	0	0	0	0	113.6	D118 G119 I120	D118-S122 PolarHBondContact O-N 2.79Å; G119-S122 WeakPolarHBondContact O-CB 3.28Å; G119-S122 PolarHBondContact O-N 3.4Å; G119-S122 VanDerWaalsContact O-N 3.09Å; G119-S122 PolarHBondContact O-OG 3.3Å; I120-S122 PolarHBondContact O-N 2.85Å
123	G	71	Confident	85.9	Confident	18 Å²	18	51.1 Å²	51.1	19%	0.186	27%	0.267	C	S	.	.	H	α-helix	trans	-93.5	-26.9	173.5	0	0	0	0	0	114.5	I120 K121 K125	I120-G123 PolarHBondContact O-N 2.98Å; I120-G123 VanDerWaalsContact O-N 3.11Å; K121-G123 VanDerWaalsContact C-N 3.28Å; K121-G123 PolarHBondContact O-N 3.42Å; G123-K125 PolarHBondContact O-N 3.1Å
124	A	65.2	Low	85.5	Confident	20 Å²	20	56.4 Å²	56.4	17%	0.165	29%	0.29	C	S	.	.			trans	-78	111.8	-168.6	0	0	0	0	0	114.2	E33 I120 F154	E33-A124 WeakPolarHBondContact OE2-CA 3.38Å; I120-A124 WeakPolarHBondContact O-CB 3.46Å; I120-A124 PolarHBondContact O-N 3.04Å; A124-F154 HydrophobicContact CB-CE1 4.28Å
125	K	69.9	Low	85.1	Confident	189 Å²	189	51.9 Å²	51.9	82%	0.822	27%	0.272	S	S	*	.	S	Bend	trans	-102.1	-30.4	166.4	-56.1	172.6	-175.7	169	0	111.8	E33 G123	E33-K125 VanDerWaalsContact CD-N 3.26Å; E33-K125 WeakPolarHBondContact OE1-CA 3.49Å; E33-K125 WeakPolarHBondContact OE1-CB 3.49Å; E33-K125 PolarHBondContact OE1-N 3.34Å; E33-K125 PolarHBondContact OE2-N 3.45Å; G123-K125 PolarHBondContact O-N 3.1Å
126	N	73.7	Confident	84.5	Confident	111 Å²	111	54.5 Å²	54.5	59%	0.594	28%	0.283	S	S	*	.	S	Bend	trans	-109.5	-4.5	-176.8	-59.9	-30.1	0	0	0	113	E33 K128	E33-N126 PolarHBondContact OE1-N 2.81Å; E33-N126 WeakPolarHBondContact OE2-CA 3.37Å; E33-N126 WeakPolarHBondContact OE2-CB 3.39Å; E33-N126 PolarHBondContact OE2-N 3.19Å; N126-K128 HydrophobicContact CB-CG 4.5Å; N126-K128 PolarHBondContact O-N 2.92Å
127	N	82.2	Confident	83.9	Confident	79 Å²	79	55.8 Å²	55.8	42%	0.422	29%	0.289	S	S	.	.			trans	60.7	22.9	-175.8	-65.1	-19.5	0	0	0	114.8	E33 F154 Q155	E33-N127 PolarHBondContact OE2-N 3.06Å; N127-F154 HydrophobicContact CB-CD1 4.09Å; N127-Q155 PolarHBondContact O-N 3.44Å
128	K	89.8	Confident	83.3	Confident	48 Å²	48	60.5 Å²	60.5	21%	0.209	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.1	178.8	-75.6	-175.3	174.5	-167.5	0	111.5	D31 E33 N126	D31-K128 WeakPolarHBondContact O-CB 2.97Å; D31-K128 WeakPolarHBondContact O-CD 3.48Å; D31-K128 IonicContact OD2-NZ 2.66Å; D31-K128 PolarHBondContact OD2-NZ 3.49Å; E33-K128 PolarHBondContact N-O 3.42Å; E33-K128 PolarHBondContact OE2-N 2.74Å; N126-K128 HydrophobicContact CB-CG 4.5Å; N126-K128 PolarHBondContact O-N 2.92Å
129	V	91.6	Very high	83	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.2	-176.8	-179.2	0	0	0	0	109.8	S34 V36 I120 F154 Q155 L156 V157	S34-V129 CarbonylContact O-C 3.53Å; S34-V129 WeakPolarHBondContact O-CA 3.34Å; V36-V129 HydrophobicContact CB-CG1 4.39Å; V36-V129 HydrophobicContact CG1-CG1 3.55Å; V36-V129 HydrophobicContact CG2-CG1 3.96Å; I120-V129 HydrophobicContact CG2-CG2 3.81Å; V129-F154 HydrophobicContact CB-CB 4.29Å; V129-F154 HydrophobicContact CG2-CB 3.66Å; V129-F154 HydrophobicContact CG2-CD1 3.72Å; V129-F154 HydrophobicContact CG2-CD2 4.39Å; V129-F154 HydrophobicContact CG2-CE1 4.5Å; V129-F154 HydrophobicContact CG2-CG 3.67Å; V129-Q155 PolarHBondContact N-O 2.9Å; V129-L156 HydrophobicContact CB-CD2 4.12Å; V129-L156 HydrophobicContact CG1-CD2 4.3Å; V129-L156 CarbonylContact O-C 3.33Å; V129-L156 WeakPolarHBondContact O-CA 3.48Å; V129-V157 PolarHBondContact O-N 3.46Å
130	G	92.1	Very high	83	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.9	-179.8	0	0	0	0	0	111.2	S34 I35 V36 V157	S34-G130 PolarHBondContact O-N 2.77Å; I35-G130 CarbonylContact C-O 2.85Å; I35-G130 WeakPolarHBondContact CA-O 3.44Å; V36-G130 PolarHBondContact N-O 2.95Å; G130-V157 WeakPolarHBondContact CA-O 3.36Å
131	H	92.2	Very high	83	Confident	37 Å²	37	62.6 Å²	62.6	17%	0.171	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	166.6	177.2	75.2	-24.7	0	0	0	110.7	V36 V157 D158 I159	V36-H131 HydrophobicContact CG2-CB 3.86Å; H131-V157 PolarHBondContact N-O 3.27Å; H131-V157 PolarHBondContact ND1-O 2.91Å; H131-D158 WeakPolarHBondContact O-CA 3.49Å; H131-I159 WeakPolarHBondContact O-CG1 3.5Å; H131-I159 PolarHBondContact O-N 3.09Å
132	L	91.1	Very high	83	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.052	31%	0.31	C	S	.	.			trans	-98.9	89.1	179.9	-67.4	168.8	0	0	0	109.6	K48 T49 K134 D135 I159 I163	K48-L132 HydrophobicContact CB-CB 4.48Å; K48-L132 HydrophobicContact CB-CD1 3.74Å; K48-L132 HydrophobicContact CB-CD2 3.7Å; K48-L132 HydrophobicContact CB-CG 4.18Å; K48-L132 HydrophobicContact CG-CD2 4.29Å; T49-L132 VanDerWaalsContact OG1-CD1 3.31Å; T49-L132 WeakPolarHBondContact OG1-CD1 3.41Å; L132-K134 PolarHBondContact O-N 3.23Å; L132-K134 VanDerWaalsContact O-N 3.1Å; L132-D135 HydrophobicContact CB-CB 4.4Å; L132-D135 PolarHBondContact O-N 3.45Å; L132-D135 VanDerWaalsContact O-N 3.09Å; L132-I159 HydrophobicContact CD2-CG1 3.95Å; L132-I159 HydrophobicContact CG-CG1 4.42Å; L132-I163 HydrophobicContact CD2-CB 4.42Å; L132-I163 HydrophobicContact CD2-CG1 4.1Å
133	A	86.5	Confident	83.5	Confident	45 Å²	45	59.4 Å²	59.4	37%	0.372	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.6	-160.8	0	0	0	0	0	115.4	D158	A133-D158 HydrophobicContact CB-CB 3.72Å; A133-D158 VanDerWaalsContact CB-CG 3.49Å; A133-D158 PolarHBondContact N-OD1 2.85Å; A133-D158 VanDerWaalsContact N-OD1 3.08Å
134	K	84.6	Confident	84.4	Confident	116 Å²	116	60.4 Å²	60.4	50%	0.504	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-26.8	177.1	-67.8	172.3	-179.1	167.1	0	112.7	L132 S354 N355	L132-K134 PolarHBondContact O-N 3.23Å; L132-K134 VanDerWaalsContact O-N 3.1Å; K134-S354 PolarHBondContact NZ-OG 3.33Å; K134-N355 PolarHBondContact NZ-OD1 3.07Å
135	D	83.8	Confident	85.7	Confident	37 Å²	37	59.5 Å²	59.5	20%	0.198	30%	0.299	C	S	.	.			trans	-84.4	122.4	-171.4	-63.2	-6.7	0	0	0	110.3	K48 T49 L132 F137	K48-D135 PolarHBondContact N-OD1 3.31Å; K48-D135 PolarHBondContact N-OD2 3.5Å; T49-D135 WeakPolarHBondContact CB-OD2 3.24Å; T49-D135 PolarHBondContact N-OD2 3.34Å; T49-D135 PolarHBondContact OG1-OD2 3.09Å; L132-D135 HydrophobicContact CB-CB 4.4Å; L132-D135 PolarHBondContact O-N 3.45Å; L132-D135 VanDerWaalsContact O-N 3.09Å; D135-F137 HydrophobicContact CB-CD2 4.44Å; D135-F137 HydrophobicContact CB-CE2 3.85Å
136	K	80.1	Confident	86.6	Confident	177 Å²	177	52.9 Å²	52.9	77%	0.77	27%	0.271	S	S	*	.			trans	-122.7	104.6	-175.6	-67.1	-176.6	-178.8	179.9	0	110.9
137	F	81.7	Confident	87.4	Confident	28 Å²	28	50.5 Å²	50.5	12%	0.123	26%	0.263	C	S	.	.			trans	-106.2	127.7	177.7	-64.8	-84.2	0	0	0	111.6	P38 G40 V42 T49 L50 D135 T142	P38-F137 WeakPolarHBondContact O-CD2 3.34Å; G40-F137 VanDerWaalsContact N-CB 3.3Å; G40-F137 VanDerWaalsContact N-CD1 3.32Å; G40-F137 VanDerWaalsContact N-CG 3.34Å; V42-F137 HydrophobicContact CB-CD1 3.92Å; V42-F137 HydrophobicContact CB-CE1 3.87Å; V42-F137 HydrophobicContact CG1-CD1 4.1Å; V42-F137 HydrophobicContact CG1-CE1 3.52Å; V42-F137 HydrophobicContact CG1-CZ 4.37Å; T49-F137 VanDerWaalsContact CB-CE2 3.49Å; T49-F137 HydrophobicContact CG2-CD2 4.4Å; T49-F137 HydrophobicContact CG2-CE2 3.43Å; T49-F137 VanDerWaalsContact CG2-CE2 3.43Å; T49-F137 HydrophobicContact CG2-CZ 3.64Å; L50-F137 HydrophobicContact CD2-CE1 3.79Å; L50-F137 HydrophobicContact CD2-CZ 3.78Å; L50-F137 HydrophobicContact CG-CE1 4.45Å; L50-F137 HydrophobicContact CG-CZ 4.16Å; D135-F137 HydrophobicContact CB-CD2 4.44Å; D135-F137 HydrophobicContact CB-CE2 3.85Å; F137-T142 HydrophobicContact CB-CG2 4.22Å; F137-T142 PolarHBondContact O-OG1 3.33Å
138	T	77.8	Confident	87.8	Confident	105 Å²	105	48.1 Å²	48.1	64%	0.644	25%	0.253	S	S	*	.	B	Isolated β-bridge	trans	-101	127.7	173	52.1	0	0	0	0	109.9	E143	T138-E143 WeakPolarHBondContact CA-OE1 3.38Å
139	S	84.7	Confident	87.7	Confident	18 Å²	18	46 Å²	46	13%	0.126	24%	0.243	C	C	.	.	S	Bend	trans	-175.2	152.9	172.1	80.9	0	0	0	0	108.5	D63 L141 T142 E143	D63-S139 WeakPolarHBondContact OD1-CB 3.24Å; S139-L141 PolarHBondContact O-N 3.39Å; S139-L141 PolarHBondContact OG-N 3.39Å; S139-T142 PolarHBondContact N-OG1 3.02Å; S139-T142 PolarHBondContact O-N 3.23Å; S139-T142 VanDerWaalsContact O-N 3.16Å; S139-T142 PolarHBondContact O-OG1 3.35Å; S139-T142 PolarHBondContact OG-N 2.88Å; S139-T142 VanDerWaalsContact OG-N 3.12Å; S139-T142 PolarHBondContact OG-OG1 3.49Å; S139-E143 PolarHBondContact N-OE1 2.69Å; S139-E143 WeakPolarHBondContact O-CB 3.42Å; S139-E143 WeakPolarHBondContact O-CG 3.27Å; S139-E143 PolarHBondContact O-N 2.84Å
140	E	87.2	Confident	87.5	Confident	102 Å²	102	52.4 Å²	52.4	48%	0.477	27%	0.273	S	S	.	.	H	α-helix	trans	-53.7	-31.3	176.8	-176.6	178.1	-156.1	0	0	112.2	K108 S144	K108-E140 IonicContact NZ-OE1 2.64Å; K108-E140 PolarHBondContact NZ-OE1 3.37Å; E140-S144 WeakPolarHBondContact O-CB 3.17Å; E140-S144 PolarHBondContact O-N 3.32Å; E140-S144 VanDerWaalsContact O-N 3.13Å; E140-S144 PolarHBondContact O-OG 3.38Å
141	L	90.1	Very high	87.3	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-75.7	-49.8	178.2	-179.1	68.1	0	0	0	112.6	D63 V65 L76 D109 L113 S139 E143 S144 F145	D63-L141 WeakPolarHBondContact O-CD2 3.42Å; V65-L141 HydrophobicContact CG2-CD2 4.02Å; V65-L141 HydrophobicContact CG2-CG 3.99Å; L76-L141 HydrophobicContact CD2-CD1 3.55Å; L76-L141 HydrophobicContact CD2-CD2 3.78Å; L76-L141 HydrophobicContact CD2-CG 4.29Å; D109-L141 HydrophobicContact CB-CD1 4.09Å; L113-L141 HydrophobicContact CD2-CD1 3.89Å; S139-L141 PolarHBondContact O-N 3.39Å; S139-L141 PolarHBondContact OG-N 3.39Å; L141-E143 VanDerWaalsContact C-N 3.33Å; L141-S144 PolarHBondContact O-N 3.01Å; L141-F145 WeakPolarHBondContact O-CB 3.43Å; L141-F145 PolarHBondContact O-N 2.72Å
142	T	88.5	Confident	87.1	Confident	4 Å²	4	61.7 Å²	61.7	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-67.8	-37.6	-178.1	55.3	0	0	0	0	110.9	P38 F137 S139 F145 M146	P38-T142 HydrophobicContact CB-CG2 3.93Å; F137-T142 HydrophobicContact CB-CG2 4.22Å; F137-T142 PolarHBondContact O-OG1 3.33Å; S139-T142 PolarHBondContact N-OG1 3.02Å; S139-T142 PolarHBondContact O-N 3.23Å; S139-T142 VanDerWaalsContact O-N 3.16Å; S139-T142 PolarHBondContact O-OG1 3.35Å; S139-T142 PolarHBondContact OG-N 2.88Å; S139-T142 VanDerWaalsContact OG-N 3.12Å; S139-T142 PolarHBondContact OG-OG1 3.49Å; T142-F145 PolarHBondContact O-N 3.36Å; T142-M146 WeakPolarHBondContact O-CB 3.29Å; T142-M146 VanDerWaalsContact O-CG 3.23Å; T142-M146 WeakPolarHBondContact O-CG 3.42Å; T142-M146 PolarHBondContact O-N 3.03Å
143	E	89.2	Confident	86.7	Confident	102 Å²	102	69.7 Å²	69.7	48%	0.477	35%	0.351	S	S	.	.	H	α-helix	trans	-65.6	-44.5	174.9	-70.4	159.3	-143.1	0	0	111.8	T138 S139 L141 S147	T138-E143 WeakPolarHBondContact CA-OE1 3.38Å; S139-E143 PolarHBondContact N-OE1 2.69Å; S139-E143 WeakPolarHBondContact O-CB 3.42Å; S139-E143 WeakPolarHBondContact O-CG 3.27Å; S139-E143 PolarHBondContact O-N 2.84Å; L141-E143 VanDerWaalsContact C-N 3.33Å; E143-S147 WeakPolarHBondContact O-CB 3.25Å; E143-S147 PolarHBondContact O-N 3.34Å; E143-S147 PolarHBondContact O-OG 2.73Å
144	S	90.9	Very high	86.8	Confident	40 Å²	40	68.5 Å²	68.5	28%	0.28	34%	0.338	S	S	.	.	H	α-helix	trans	-66.6	-37.8	176.6	-61.7	0	0	0	0	112.4	E140 L141 S148	E140-S144 WeakPolarHBondContact O-CB 3.17Å; E140-S144 PolarHBondContact O-N 3.32Å; E140-S144 VanDerWaalsContact O-N 3.13Å; E140-S144 PolarHBondContact O-OG 3.38Å; L141-S144 PolarHBondContact O-N 3.01Å; S144-S148 WeakPolarHBondContact O-CB 3.47Å; S144-S148 PolarHBondContact O-N 3.34Å; S144-S148 PolarHBondContact O-OG 2.84Å
145	F	92.1	Very high	87	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-66.1	-49.5	174.9	177.7	-107.6	0	0	0	111.9	V36 P38 V65 V67 L113 L116 I120 L141 T142 S147 S148 L149	V36-F145 HydrophobicContact CB-CE1 4.01Å; V36-F145 HydrophobicContact CB-CZ 4.07Å; V36-F145 HydrophobicContact CG1-CE1 4.36Å; V36-F145 HydrophobicContact CG1-CZ 3.96Å; V36-F145 HydrophobicContact CG2-CE1 4.34Å; P38-F145 HydrophobicContact CB-CD1 4.09Å; P38-F145 HydrophobicContact CB-CE1 4.48Å; V65-F145 HydrophobicContact CG1-CD1 3.73Å; V65-F145 HydrophobicContact CG1-CD2 3.97Å; V65-F145 HydrophobicContact CG1-CE1 3.68Å; V65-F145 HydrophobicContact CG1-CE2 3.93Å; V65-F145 HydrophobicContact CG1-CG 3.86Å; V65-F145 HydrophobicContact CG1-CZ 3.78Å; V65-F145 HydrophobicContact CG2-CB 4.15Å; V65-F145 HydrophobicContact CG2-CD1 4.32Å; V65-F145 HydrophobicContact CG2-CG 4.14Å; V67-F145 HydrophobicContact CG2-CE2 4.38Å; V67-F145 HydrophobicContact CG2-CZ 4.12Å; L113-F145 HydrophobicContact CD2-CB 3.71Å; L113-F145 HydrophobicContact CD2-CD2 4.05Å; L113-F145 HydrophobicContact CD2-CG 4.36Å; L116-F145 HydrophobicContact CB-CD2 4.43Å; L116-F145 HydrophobicContact CB-CE2 3.89Å; L116-F145 HydrophobicContact CD1-CD2 3.82Å; L116-F145 HydrophobicContact CD1-CE2 3.85Å; I120-F145 HydrophobicContact CD1-CZ 4.23Å; L141-F145 WeakPolarHBondContact O-CB 3.43Å; L141-F145 PolarHBondContact O-N 2.72Å; T142-F145 PolarHBondContact O-N 3.36Å; F145-S147 VanDerWaalsContact C-N 3.29Å; F145-S147 PolarHBondContact O-N 3.34Å; F145-S148 WeakPolarHBondContact O-CB 3.35Å; F145-S148 PolarHBondContact O-N 3.44Å; F145-S148 VanDerWaalsContact O-N 3.15Å; F145-L149 HydrophobicContact CE1-CD2 4.35Å; F145-L149 HydrophobicContact CZ-CD1 4.47Å; F145-L149 WeakPolarHBondContact O-CB 3.44Å; F145-L149 PolarHBondContact O-N 3.39Å
146	M	88.5	Confident	87.3	Confident	51 Å²	51	69.5 Å²	69.5	25%	0.251	35%	0.345	S	S	.	.	H	α-helix	trans	-64.1	-34.6	178.9	-69.7	-60.6	-68.6	0	0	112.1	P38 T142 L149 Q150 L156	P38-M146 HydrophobicContact CG-SD 4.24Å; T142-M146 WeakPolarHBondContact O-CB 3.29Å; T142-M146 VanDerWaalsContact O-CG 3.23Å; T142-M146 WeakPolarHBondContact O-CG 3.42Å; T142-M146 PolarHBondContact O-N 3.03Å; M146-L149 PolarHBondContact O-N 3.1Å; M146-L149 HydrophobicContact SD-CD2 4.19Å; M146-Q150 VanDerWaalsContact O-CG 3.31Å; M146-Q150 WeakPolarHBondContact O-CG 3.26Å; M146-Q150 PolarHBondContact O-N 2.86Å; M146-L156 HydrophobicContact CE-CD1 4.32Å
147	S	90.4	Very high	87.9	Confident	60 Å²	60	63.1 Å²	63.1	42%	0.42	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-48.7	171	-56.1	0	0	0	0	111.3	E143 F145 L149 Q150 E151	E143-S147 WeakPolarHBondContact O-CB 3.25Å; E143-S147 PolarHBondContact O-N 3.34Å; E143-S147 PolarHBondContact O-OG 2.73Å; F145-S147 VanDerWaalsContact C-N 3.29Å; F145-S147 PolarHBondContact O-N 3.34Å; S147-L149 PolarHBondContact O-N 2.93Å; S147-Q150 PolarHBondContact O-N 2.89Å; S147-Q150 VanDerWaalsContact O-N 3.11Å; S147-E151 PolarHBondContact O-N 2.86Å
148	S	90.4	Very high	88.4	Confident	29 Å²	29	65.2 Å²	65.2	20%	0.203	33%	0.333	C	S	.	.	H	α-helix	trans	-59	-35.2	176	-53.7	0	0	0	0	112.3	S144 F145 E152	S144-S148 WeakPolarHBondContact O-CB 3.47Å; S144-S148 PolarHBondContact O-N 3.34Å; S144-S148 PolarHBondContact O-OG 2.84Å; F145-S148 WeakPolarHBondContact O-CB 3.35Å; F145-S148 PolarHBondContact O-N 3.44Å; F145-S148 VanDerWaalsContact O-N 3.15Å; S148-E152 WeakPolarHBondContact O-CG 3.34Å
149	L	88.5	Confident	89.1	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-72.9	-31.7	178.4	-163	70.7	0	0	0	112.4	V36 I120 F145 M146 S147 F154 L156	V36-L149 HydrophobicContact CG2-CD2 4.11Å; I120-L149 HydrophobicContact CD1-CD1 3.57Å; F145-L149 HydrophobicContact CE1-CD2 4.35Å; F145-L149 HydrophobicContact CZ-CD1 4.47Å; F145-L149 WeakPolarHBondContact O-CB 3.44Å; F145-L149 PolarHBondContact O-N 3.39Å; M146-L149 PolarHBondContact O-N 3.1Å; M146-L149 HydrophobicContact SD-CD2 4.19Å; S147-L149 PolarHBondContact O-N 2.93Å; L149-F154 HydrophobicContact CD1-CD2 3.59Å; L149-F154 HydrophobicContact CD1-CE2 4.05Å; L149-F154 HydrophobicContact CD1-CG 4.49Å; L149-F154 HydrophobicContact CG-CD2 4.21Å; L149-L156 HydrophobicContact CD2-CD2 3.64Å; L149-L156 HydrophobicContact CG-CD2 4.17Å
150	Q	86.9	Confident	89.5	Confident	135 Å²	135	59.4 Å²	59.4	63%	0.631	30%	0.297	S	S	*	.	H	α-helix	trans	-74	-38.4	175.3	-74	173.7	18	0	0	112.7	M146 S147 E152 K153	M146-Q150 VanDerWaalsContact O-CG 3.31Å; M146-Q150 WeakPolarHBondContact O-CG 3.26Å; M146-Q150 PolarHBondContact O-N 2.86Å; S147-Q150 PolarHBondContact O-N 2.89Å; S147-Q150 VanDerWaalsContact O-N 3.11Å; Q150-E152 PolarHBondContact O-N 3.13Å; Q150-K153 PolarHBondContact O-N 3.22Å; Q150-K153 VanDerWaalsContact O-N 3.1Å
151	E	88.9	Confident	89.6	Confident	154 Å²	154	57.2 Å²	57.2	72%	0.72	29%	0.288	S	S	*	.	H	α-helix	trans	-56.7	-36.3	177.4	-74	-179.1	-172.7	0	0	112.4	S147	S147-E151 PolarHBondContact O-N 2.86Å
152	E	87.1	Confident	89.7	Confident	78 Å²	78	57.3 Å²	57.3	36%	0.364	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.3	-178.7	-60.5	-70.8	-179.7	0	0	114.2	V117 K121 S148 Q150 F154	V117-E152 HydrophobicContact CG1-CG 3.77Å; K121-E152 WeakPolarHBondContact CE-OE1 3.44Å; K121-E152 WeakPolarHBondContact CE-OE2 3.42Å; K121-E152 IonicContact NZ-OE1 3.72Å; K121-E152 PolarHBondContact NZ-OE1 2.84Å; K121-E152 IonicContact NZ-OE2 3.78Å; K121-E152 PolarHBondContact NZ-OE2 3.04Å; S148-E152 WeakPolarHBondContact O-CG 3.34Å; Q150-E152 PolarHBondContact O-N 3.13Å; E152-F154 HydrophobicContact CB-CD2 3.74Å; E152-F154 HydrophobicContact CB-CE2 3.36Å; E152-F154 HydrophobicContact CB-CZ 4.04Å; E152-F154 HydrophobicContact CG-CE2 4.05Å; E152-F154 PolarHBondContact O-N 3.22Å
153	K	84	Confident	90	Very high	178 Å²	178	57.2 Å²	57.2	77%	0.774	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	36.9	173.7	-53	174.2	-174.7	173.1	0	115.2	Q150	Q150-K153 PolarHBondContact O-N 3.22Å; Q150-K153 VanDerWaalsContact O-N 3.1Å
154	F	87	Confident	90.1	Very high	21 Å²	21	52.4 Å²	52.4	9%	0.092	27%	0.266	C	S	.	.			trans	-63.1	146.3	171.1	-66.1	-67.9	0	0	0	112.3	I120 K121 A124 N127 V129 L149 E152 L156	I120-F154 HydrophobicContact CB-CZ 4.37Å; I120-F154 HydrophobicContact CG2-CD1 4.18Å; I120-F154 HydrophobicContact CG2-CD2 4.34Å; I120-F154 HydrophobicContact CG2-CE1 3.66Å; I120-F154 HydrophobicContact CG2-CE2 3.81Å; I120-F154 HydrophobicContact CG2-CZ 3.45Å; I120-F154 VanDerWaalsContact CG2-CZ 3.45Å; K121-F154 HydrophobicContact CG-CZ 3.89Å; A124-F154 HydrophobicContact CB-CE1 4.28Å; N127-F154 HydrophobicContact CB-CD1 4.09Å; V129-F154 HydrophobicContact CB-CB 4.29Å; V129-F154 HydrophobicContact CG2-CB 3.66Å; V129-F154 HydrophobicContact CG2-CD1 3.72Å; V129-F154 HydrophobicContact CG2-CD2 4.39Å; V129-F154 HydrophobicContact CG2-CE1 4.5Å; V129-F154 HydrophobicContact CG2-CG 3.67Å; L149-F154 HydrophobicContact CD1-CD2 3.59Å; L149-F154 HydrophobicContact CD1-CE2 4.05Å; L149-F154 HydrophobicContact CD1-CG 4.49Å; L149-F154 HydrophobicContact CG-CD2 4.21Å; E152-F154 HydrophobicContact CB-CD2 3.74Å; E152-F154 HydrophobicContact CB-CE2 3.36Å; E152-F154 HydrophobicContact CB-CZ 4.04Å; E152-F154 HydrophobicContact CG-CE2 4.05Å; E152-F154 PolarHBondContact O-N 3.22Å; F154-L156 HydrophobicContact CB-CD2 4.44Å; F154-L156 PolarHBondContact O-N 3.13Å
155	Q	89.8	Confident	90.1	Very high	112 Å²	112	52.1 Å²	52.1	52%	0.523	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	105.2	169	-177	178.9	7.7	0	0	108.8	N127 V129	N127-Q155 PolarHBondContact O-N 3.44Å; V129-Q155 PolarHBondContact N-O 2.9Å
156	L	90	Very high	90.2	Very high	61 Å²	61	52.3 Å²	52.3	32%	0.319	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	131.8	174.5	-53.2	-175.3	0	0	0	110.6	V129 M146 L149 F154	V129-L156 HydrophobicContact CB-CD2 4.12Å; V129-L156 HydrophobicContact CG1-CD2 4.3Å; V129-L156 CarbonylContact O-C 3.33Å; V129-L156 WeakPolarHBondContact O-CA 3.48Å; M146-L156 HydrophobicContact CE-CD1 4.32Å; L149-L156 HydrophobicContact CD2-CD2 3.64Å; L149-L156 HydrophobicContact CG-CD2 4.17Å; F154-L156 HydrophobicContact CB-CD2 4.44Å; F154-L156 PolarHBondContact O-N 3.13Å
157	V	91.9	Very high	90.5	Very high	43 Å²	43	50.6 Å²	50.6	26%	0.261	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.4	-179.9	-177.5	0	0	0	0	108.4	V32 V129 G130 H131 I159	V32-V157 HydrophobicContact CG2-CB 4.16Å; V32-V157 HydrophobicContact CG2-CG1 4.26Å; V32-V157 HydrophobicContact CG2-CG2 4.44Å; V129-V157 PolarHBondContact O-N 3.46Å; G130-V157 WeakPolarHBondContact CA-O 3.36Å; H131-V157 PolarHBondContact N-O 3.27Å; H131-V157 PolarHBondContact ND1-O 2.91Å; V157-I159 PolarHBondContact O-N 2.77Å
158	D	92.2	Very high	90.6	Very high	72 Å²	72	47.8 Å²	47.8	39%	0.385	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	119.4	174.1	-172.2	16.5	0	0	0	110.1	H131 A133 S160	H131-D158 WeakPolarHBondContact O-CA 3.49Å; A133-D158 HydrophobicContact CB-CB 3.72Å; A133-D158 VanDerWaalsContact CB-CG 3.49Å; A133-D158 PolarHBondContact N-OD1 2.85Å; A133-D158 VanDerWaalsContact N-OD1 3.08Å; D158-S160 VanDerWaalsContact OD1-CB 3.26Å; D158-S160 WeakPolarHBondContact OD1-CB 3.47Å; D158-S160 PolarHBondContact OD1-N 2.85Å; D158-S160 VanDerWaalsContact OD1-N 3.07Å; D158-S160 PolarHBondContact OD1-OG 3.28Å
159	I	93.1	Very high	90.8	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.23	C	C	.	.			trans	-104	9.4	178.2	65.1	165.3	0	0	0	112.9	L29 V32 I35 H131 L132 V157 N161 S162 I163	L29-I159 HydrophobicContact CD2-CB 3.66Å; L29-I159 HydrophobicContact CD2-CD1 4.11Å; L29-I159 HydrophobicContact CD2-CG1 4.49Å; L29-I159 HydrophobicContact CD2-CG2 3.64Å; V32-I159 HydrophobicContact CG2-CG2 4.24Å; I35-I159 HydrophobicContact CB-CD1 4.27Å; I35-I159 HydrophobicContact CD1-CD1 4.06Å; I35-I159 HydrophobicContact CG1-CD1 3.98Å; I35-I159 HydrophobicContact CG2-CD1 3.38Å; H131-I159 WeakPolarHBondContact O-CG1 3.5Å; H131-I159 PolarHBondContact O-N 3.09Å; L132-I159 HydrophobicContact CD2-CG1 3.95Å; L132-I159 HydrophobicContact CG-CG1 4.42Å; V157-I159 PolarHBondContact O-N 2.77Å; I159-N161 PolarHBondContact O-N 2.87Å; I159-N161 VanDerWaalsContact O-N 3.1Å; I159-S162 PolarHBondContact O-N 2.88Å; I159-S162 VanDerWaalsContact O-N 3.11Å; I159-I163 HydrophobicContact CD1-CD1 4.2Å; I159-I163 HydrophobicContact CD1-CG1 3.96Å; I159-I163 HydrophobicContact CG1-CG1 4.16Å; I159-I163 PolarHBondContact O-N 3.38Å
160	S	92.3	Very high	91.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-54.4	-33.2	-175.7	-63.3	0	0	0	0	113.5	D158 S164 N355	D158-S160 VanDerWaalsContact OD1-CB 3.26Å; D158-S160 WeakPolarHBondContact OD1-CB 3.47Å; D158-S160 PolarHBondContact OD1-N 2.85Å; D158-S160 VanDerWaalsContact OD1-N 3.07Å; D158-S160 PolarHBondContact OD1-OG 3.28Å; S160-S164 PolarHBondContact O-N 3.32Å; S160-S164 VanDerWaalsContact O-N 3.11Å; S160-S164 PolarHBondContact O-OG 2.82Å; S160-N355 VanDerWaalsContact C-ND2 3.35Å; S160-N355 PolarHBondContact O-ND2 2.73Å
161	N	91	Very high	91.3	Very high	55 Å²	55	42.9 Å²	42.9	29%	0.294	21%	0.209	S	C	.	.	H	α-helix	trans	-74	-40.4	179.5	-174.2	58.3	0	0	0	112.7	E28 I159 S164 E165	E28-N161 PolarHBondContact OE1-ND2 3.2Å; E28-N161 WeakPolarHBondContact OE2-CB 3.32Å; E28-N161 PolarHBondContact OE2-ND2 3.42Å; I159-N161 PolarHBondContact O-N 2.87Å; I159-N161 VanDerWaalsContact O-N 3.1Å; N161-S164 VanDerWaalsContact O-CB 3.23Å; N161-S164 WeakPolarHBondContact O-CB 3.32Å; N161-S164 PolarHBondContact O-N 2.83Å; N161-E165 PolarHBondContact O-N 2.89Å
162	S	91.7	Very high	91.4	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.028	21%	0.207	C	C	.	.	H	α-helix	trans	-69.9	-40.3	178	-16.5	0	0	0	0	111.1	E28 L29 I159 S164 E165 I166	E28-S162 PolarHBondContact OE2-OG 2.85Å; L29-S162 VanDerWaalsContact CG-CB 3.49Å; I159-S162 PolarHBondContact O-N 2.88Å; I159-S162 VanDerWaalsContact O-N 3.11Å; S162-S164 VanDerWaalsContact C-N 3.3Å; S162-S164 PolarHBondContact O-N 3.29Å; S162-E165 PolarHBondContact O-N 3.27Å; S162-I166 WeakPolarHBondContact O-CG1 3.3Å; S162-I166 PolarHBondContact O-N 3.17Å
163	I	93.4	Very high	91.6	Very high	2 Å²	2	42 Å²	42	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-36.3	171.3	-61.4	-58	0	0	0	111.3	L18 K48 L52 L132 I159 I166 L167	L18-I163 HydrophobicContact CD1-CD1 4.02Å; K48-I163 HydrophobicContact CD-CG2 4.39Å; L52-I163 HydrophobicContact CD2-CD1 4.32Å; L132-I163 HydrophobicContact CD2-CB 4.42Å; L132-I163 HydrophobicContact CD2-CG1 4.1Å; I159-I163 HydrophobicContact CD1-CD1 4.2Å; I159-I163 HydrophobicContact CD1-CG1 3.96Å; I159-I163 HydrophobicContact CG1-CG1 4.16Å; I159-I163 PolarHBondContact O-N 3.38Å; I163-I166 HydrophobicContact CD1-CD1 4.35Å; I163-I166 PolarHBondContact O-N 2.57Å; I163-L167 HydrophobicContact CG2-CD1 3.81Å; I163-L167 HydrophobicContact CG2-CG 4.24Å; I163-L167 WeakPolarHBondContact O-CB 3.4Å; I163-L167 VanDerWaalsContact O-CG 3.3Å; I163-L167 WeakPolarHBondContact O-CG 3.36Å; I163-L167 PolarHBondContact O-N 3.21Å
164	S	93.2	Very high	92.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58	-50.6	169.3	-74.7	0	0	0	0	112.6	K48 S160 N161 S162 I166 L167 A168 D353 N355	K48-S164 WeakPolarHBondContact CE-OG 3.37Å; K48-S164 PolarHBondContact NZ-OG 2.72Å; S160-S164 PolarHBondContact O-N 3.32Å; S160-S164 VanDerWaalsContact O-N 3.11Å; S160-S164 PolarHBondContact O-OG 2.82Å; N161-S164 VanDerWaalsContact O-CB 3.23Å; N161-S164 WeakPolarHBondContact O-CB 3.32Å; N161-S164 PolarHBondContact O-N 2.83Å; S162-S164 VanDerWaalsContact C-N 3.3Å; S162-S164 PolarHBondContact O-N 3.29Å; S164-I166 VanDerWaalsContact C-N 3.29Å; S164-I166 PolarHBondContact O-N 3.21Å; S164-L167 PolarHBondContact O-N 3.21Å; S164-A168 WeakPolarHBondContact O-CB 3.36Å; S164-A168 PolarHBondContact O-N 2.86Å; S164-D353 WeakPolarHBondContact CA-OD2 3.47Å; S164-D353 WeakPolarHBondContact CB-OD2 3.36Å; S164-D353 PolarHBondContact OG-OD1 3.37Å; S164-D353 PolarHBondContact OG-OD2 3.3Å; S164-N355 PolarHBondContact OG-ND2 2.65Å
165	E	90.9	Very high	92.5	Very high	34 Å²	34	33.8 Å²	33.8	16%	0.159	18%	0.175	C	C	.	.	H	α-helix	trans	-66.7	-28.9	-178.8	-69.3	-74.8	-162.7	0	0	112.5	N161 S162 L356 S364 R367	N161-E165 PolarHBondContact O-N 2.89Å; S162-E165 PolarHBondContact O-N 3.27Å; E165-L356 HydrophobicContact CG-CD2 4.34Å; E165-L356 WeakPolarHBondContact OE1-CD2 3.01Å; E165-S364 WeakPolarHBondContact OE1-CB 3.43Å; E165-S364 PolarHBondContact OE1-OG 3.28Å; E165-R367 PolarHBondContact O-NH2 3.24Å; E165-R367 IonicContact OE2-CZ 3.13Å; E165-R367 IonicContact OE2-NE 2.71Å; E165-R367 IonicContact OE2-NH2 3.48Å; E165-R367 PolarHBondContact OE2-NH2 2.98Å
166	I	93	Very high	92.7	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-69.9	-48	171	-66.9	166.4	0	0	0	110.9	K17 L18 D21 L29 W55 S162 I163 S164 A168	K17-I166 HydrophobicContact CD-CG2 4.21Å; K17-I166 PolarHBondContact NZ-O 3.38Å; L18-I166 HydrophobicContact CD1-CD1 3.7Å; D21-I166 HydrophobicContact CB-CD1 3.76Å; D21-I166 HydrophobicContact CB-CG1 3.83Å; L29-I166 HydrophobicContact CD1-CD1 3.78Å; W55-I166 HydrophobicContact CH2-CG2 3.57Å; W55-I166 HydrophobicContact CZ2-CG2 4.17Å; W55-I166 HydrophobicContact CZ3-CG2 3.99Å; S162-I166 WeakPolarHBondContact O-CG1 3.3Å; S162-I166 PolarHBondContact O-N 3.17Å; I163-I166 HydrophobicContact CD1-CD1 4.35Å; I163-I166 PolarHBondContact O-N 2.57Å; S164-I166 VanDerWaalsContact C-N 3.29Å; S164-I166 PolarHBondContact O-N 3.21Å; I166-A168 VanDerWaalsContact C-N 3.3Å; I166-A168 PolarHBondContact O-N 2.82Å
167	L	94.3	Very high	92.9	Very high	16 Å²	16	31.3 Å²	31.3	8%	0.084	16%	0.164	C	C	.	.	H	α-helix	trans	-74.2	-16.4	-178.7	-67.4	177.5	0	0	0	113.7	W55 I163 S164 T169 K170	W55-L167 HydrophobicContact CB-CD2 3.74Å; W55-L167 HydrophobicContact CD2-CD2 3.49Å; W55-L167 VanDerWaalsContact CD2-CD2 3.49Å; W55-L167 HydrophobicContact CE3-CD2 3.96Å; W55-L167 HydrophobicContact CG-CD2 3.38Å; I163-L167 HydrophobicContact CG2-CD1 3.81Å; I163-L167 HydrophobicContact CG2-CG 4.24Å; I163-L167 WeakPolarHBondContact O-CB 3.4Å; I163-L167 VanDerWaalsContact O-CG 3.3Å; I163-L167 WeakPolarHBondContact O-CG 3.36Å; I163-L167 PolarHBondContact O-N 3.21Å; S164-L167 PolarHBondContact O-N 3.21Å; L167-T169 PolarHBondContact O-N 2.79Å; L167-K170 WeakPolarHBondContact O-CE 3.28Å; L167-K170 PolarHBondContact O-NZ 2.89Å
168	A	93.7	Very high	93.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-44.9	-177.8	0	0	0	0	0	112.8	S164 I166 K170 V346 L356 M370	S164-A168 WeakPolarHBondContact O-CB 3.36Å; S164-A168 PolarHBondContact O-N 2.86Å; I166-A168 VanDerWaalsContact C-N 3.3Å; I166-A168 PolarHBondContact O-N 2.82Å; A168-K170 PolarHBondContact O-NZ 2.98Å; A168-K170 VanDerWaalsContact O-NZ 3.12Å; A168-V346 HydrophobicContact CB-CG1 3.96Å; A168-V346 HydrophobicContact CB-CG2 4.47Å; A168-L356 HydrophobicContact CB-CD1 3.64Å; A168-M370 HydrophobicContact CB-CE 3.8Å; A168-M370 HydrophobicContact CB-CG 4.18Å; A168-M370 WeakPolarHBondContact O-CA 3.5Å
169	T	93.7	Very high	93.2	Very high	21 Å²	21	30.8 Å²	30.8	13%	0.129	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-89.1	120.2	-178.5	48.8	0	0	0	0	111.1	K17 L167 R367 G369 M370	K17-T169 PolarHBondContact NZ-O 2.78Å; K17-T169 PolarHBondContact NZ-OG1 3.34Å; L167-T169 PolarHBondContact O-N 2.79Å; T169-R367 HydrophobicContact CG2-CB 4.03Å; T169-G369 WeakPolarHBondContact CA-O 3.4Å; T169-M370 HydrophobicContact CG2-CG 3.94Å
170	K	94.5	Very high	93.4	Very high	20 Å²	20	33.8 Å²	33.8	9%	0.087	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-93.1	143.7	-173.8	-60.5	-53.9	-174.1	-69	0	112.4	L167 A168 E174 L175 Y277 T347 G348 G369 T371	L167-K170 WeakPolarHBondContact O-CE 3.28Å; L167-K170 PolarHBondContact O-NZ 2.89Å; A168-K170 PolarHBondContact O-NZ 2.98Å; A168-K170 VanDerWaalsContact O-NZ 3.12Å; K170-E174 WeakPolarHBondContact CA-OE2 3.29Å; K170-E174 HydrophobicContact CB-CB 3.86Å; K170-E174 HydrophobicContact CD-CB 4.1Å; K170-E174 WeakPolarHBondContact CD-OE1 3.49Å; K170-E174 HydrophobicContact CG-CB 4.35Å; K170-L175 HydrophobicContact CB-CD2 3.82Å; K170-L175 HydrophobicContact CB-CG 3.89Å; K170-L175 HydrophobicContact CG-CD2 4.4Å; K170-Y277 HydrophobicContact CD-CE1 4.44Å; K170-T347 PolarHBondContact NZ-O 3.29Å; K170-G348 VanDerWaalsContact CE-CA 3.41Å; K170-G369 PolarHBondContact N-O 2.78Å; K170-T371 WeakPolarHBondContact CE-OG1 2.77Å; K170-T371 HydrophobicContact CG-CG2 3.93Å; K170-T371 WeakPolarHBondContact CG-OG1 3.33Å; K170-T371 PolarHBondContact NZ-OG1 2.8Å
171	D	91.9	Very high	93.5	Very high	24 Å²	24	33.8 Å²	33.8	13%	0.128	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-78.1	170.8	165.1	78.4	50	0	0	0	112.3	R14 T173 E174 L175	R14-D171 IonicContact CZ-OD2 3.81Å; R14-D171 IonicContact NE-OD2 3.65Å; R14-D171 PolarHBondContact NE-OD2 3.4Å; R14-D171 VanDerWaalsContact NE-OD2 3.08Å; R14-D171 IonicContact NH2-OD1 2.73Å; R14-D171 IonicContact NH2-OD2 3.76Å; R14-D171 PolarHBondContact NH2-OD2 2.72Å; D171-T173 VanDerWaalsContact C-N 3.32Å; D171-T173 PolarHBondContact O-N 3.09Å; D171-T173 WeakPolarHBondContact OD1-CA 3.31Å; D171-T173 VanDerWaalsContact OD1-CB 3.28Å; D171-T173 WeakPolarHBondContact OD1-CB 3.32Å; D171-T173 PolarHBondContact OD1-N 3.16Å; D171-E174 PolarHBondContact N-OE2 3.33Å; D171-E174 WeakPolarHBondContact O-CB 3.41Å; D171-E174 PolarHBondContact O-N 3.16Å; D171-E174 PolarHBondContact OD1-N 3.19Å; D171-E174 VanDerWaalsContact OD1-N 3.1Å; D171-L175 WeakPolarHBondContact O-CG 3.44Å; D171-L175 PolarHBondContact O-N 3.14Å
172	E	91.4	Very high	93.8	Very high	146 Å²	146	31.1 Å²	31.1	68%	0.682	15%	0.154	S	C	*	.	H	α-helix	trans	-60	-37.4	-176.8	-174.7	170.3	-164.3	0	0	113.4	L175 I176	E172-L175 PolarHBondContact O-N 2.74Å; E172-I176 HydrophobicContact CG-CD1 4.41Å; E172-I176 VanDerWaalsContact O-CG1 3.32Å; E172-I176 WeakPolarHBondContact O-CG1 3.48Å; E172-I176 PolarHBondContact O-N 3.1Å
173	T	91.8	Very high	94	Very high	68 Å²	68	33.6 Å²	33.6	42%	0.417	17%	0.167	S	C	.	.	H	α-helix	trans	-67.8	-43.6	176	-51.4	0	0	0	0	110.2	D171 L175 I176 L177	D171-T173 VanDerWaalsContact C-N 3.32Å; D171-T173 PolarHBondContact O-N 3.09Å; D171-T173 WeakPolarHBondContact OD1-CA 3.31Å; D171-T173 VanDerWaalsContact OD1-CB 3.28Å; D171-T173 WeakPolarHBondContact OD1-CB 3.32Å; D171-T173 PolarHBondContact OD1-N 3.16Å; T173-L175 VanDerWaalsContact C-N 3.31Å; T173-L175 PolarHBondContact O-N 3Å; T173-I176 PolarHBondContact O-N 3.38Å; T173-L177 WeakPolarHBondContact O-CG 3.15Å; T173-L177 PolarHBondContact O-N 2.85Å
174	E	94.2	Very high	94.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-38.5	174.9	-58.1	-168.8	84.6	0	0	112.7	R14 W55 K170 D171 L177 L178 Y277	R14-E174 VanDerWaalsContact NH2-CG 3.28Å; W55-E174 VanDerWaalsContact CD1-OE1 3.27Å; W55-E174 PolarHBondContact NE1-OE1 3.06Å; W55-E174 PolarHBondContact NE1-OE2 3.03Å; K170-E174 WeakPolarHBondContact CA-OE2 3.29Å; K170-E174 HydrophobicContact CB-CB 3.86Å; K170-E174 HydrophobicContact CD-CB 4.1Å; K170-E174 WeakPolarHBondContact CD-OE1 3.49Å; K170-E174 HydrophobicContact CG-CB 4.35Å; D171-E174 PolarHBondContact N-OE2 3.33Å; D171-E174 WeakPolarHBondContact O-CB 3.41Å; D171-E174 PolarHBondContact O-N 3.16Å; D171-E174 PolarHBondContact OD1-N 3.19Å; D171-E174 VanDerWaalsContact OD1-N 3.1Å; E174-L177 PolarHBondContact O-N 2.88Å; E174-L178 VanDerWaalsContact O-CB 3.31Å; E174-L178 WeakPolarHBondContact O-CB 2.99Å; E174-L178 PolarHBondContact O-N 2.75Å; E174-Y277 HydrophobicContact CB-CE1 3.71Å; E174-Y277 HydrophobicContact CG-CE1 3.97Å; E174-Y277 VanDerWaalsContact CG-OH 3.25Å; E174-Y277 WeakPolarHBondContact CG-OH 3.16Å; E174-Y277 WeakPolarHBondContact OE1-CE1 3.32Å; E174-Y277 PolarHBondContact OE1-OH 3.27Å
175	L	94.7	Very high	94.3	Very high	24 Å²	24	33.7 Å²	33.7	13%	0.126	17%	0.167	C	C	.	.	H	α-helix	trans	-68.1	-34.9	176.2	-69.3	171.9	0	0	0	112.3	K170 D171 E172 T173 K179 T371 A403 V406	K170-L175 HydrophobicContact CB-CD2 3.82Å; K170-L175 HydrophobicContact CB-CG 3.89Å; K170-L175 HydrophobicContact CG-CD2 4.4Å; D171-L175 WeakPolarHBondContact O-CG 3.44Å; D171-L175 PolarHBondContact O-N 3.14Å; E172-L175 PolarHBondContact O-N 2.74Å; T173-L175 VanDerWaalsContact C-N 3.31Å; T173-L175 PolarHBondContact O-N 3Å; L175-K179 WeakPolarHBondContact O-CB 3.37Å; L175-K179 PolarHBondContact O-N 3.24Å; L175-T371 HydrophobicContact CD2-CG2 3.62Å; L175-A403 HydrophobicContact CD2-CB 3.84Å; L175-V406 HydrophobicContact CD1-CB 4.48Å; L175-V406 HydrophobicContact CD1-CG1 4.05Å
176	I	94.4	Very high	94.5	Very high	95 Å²	95	32.1 Å²	32.1	49%	0.487	16%	0.16	S	C	.	.	H	α-helix	trans	-67.1	-44.3	174.4	-70	163	0	0	0	111	E172 T173 K179 K180	E172-I176 HydrophobicContact CG-CD1 4.41Å; E172-I176 VanDerWaalsContact O-CG1 3.32Å; E172-I176 WeakPolarHBondContact O-CG1 3.48Å; E172-I176 PolarHBondContact O-N 3.1Å; T173-I176 PolarHBondContact O-N 3.38Å; I176-K179 PolarHBondContact O-N 3.06Å; I176-K180 PolarHBondContact O-N 3.08Å
177	L	94.2	Very high	94.6	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.131	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-44.7	177.3	-64.5	178.9	0	0	0	111.9	T173 E174 K179 K180 A181 Y274 Q275 Y277	T173-L177 WeakPolarHBondContact O-CG 3.15Å; T173-L177 PolarHBondContact O-N 2.85Å; E174-L177 PolarHBondContact O-N 2.88Å; L177-K179 VanDerWaalsContact C-N 3.33Å; L177-K179 PolarHBondContact O-N 3Å; L177-K180 WeakPolarHBondContact O-CB 3.39Å; L177-K180 PolarHBondContact O-N 3.18Å; L177-A181 PolarHBondContact O-N 3.17Å; L177-Y274 HydrophobicContact CD2-CD1 4.25Å; L177-Y274 HydrophobicContact CD2-CE1 3.78Å; L177-Q275 HydrophobicContact CD2-CB 4.35Å; L177-Y277 HydrophobicContact CB-CD2 3.67Å; L177-Y277 HydrophobicContact CB-CE2 4.34Å; L177-Y277 HydrophobicContact CB-CG 3.95Å; L177-Y277 HydrophobicContact CD1-CD2 3.67Å; L177-Y277 HydrophobicContact CD1-CE2 3.64Å; L177-Y277 HydrophobicContact CG-CD2 4.33Å
178	L	95.6	Very high	94.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.1	-33.3	175.6	-179.6	143.6	0	0	0	112.4	E174 A181 C182 Y277 T347 T371 V401 Y415	E174-L178 VanDerWaalsContact O-CB 3.31Å; E174-L178 WeakPolarHBondContact O-CB 2.99Å; E174-L178 PolarHBondContact O-N 2.75Å; L178-A181 PolarHBondContact O-N 3Å; L178-C182 PolarHBondContact O-N 3.24Å; L178-C182 VanDerWaalsContact O-N 3.08Å; L178-C182 PolarHBondContact O-SG 3.44Å; L178-Y277 HydrophobicContact CB-CD1 4.35Å; L178-T347 HydrophobicContact CD1-CG2 4.25Å; L178-T371 HydrophobicContact CD1-CG2 3.92Å; L178-T371 HydrophobicContact CD2-CG2 4.02Å; L178-V401 HydrophobicContact CD2-CG1 3.83Å; L178-V401 HydrophobicContact CG-CG1 4.47Å; L178-Y415 HydrophobicContact CD2-CD2 3.5Å; L178-Y415 HydrophobicContact CD2-CE2 3.57Å
179	K	95.4	Very high	94.8	Very high	104 Å²	104	32.6 Å²	32.6	45%	0.452	16%	0.162	S	C	.	.	H	α-helix	trans	-63.7	-48.7	170.8	-174.7	-170.8	169.4	-164.6	0	111.1	L175 I176 L177 A181 C182 D183 Y415	L175-K179 WeakPolarHBondContact O-CB 3.37Å; L175-K179 PolarHBondContact O-N 3.24Å; I176-K179 PolarHBondContact O-N 3.06Å; L177-K179 VanDerWaalsContact C-N 3.33Å; L177-K179 PolarHBondContact O-N 3Å; K179-A181 VanDerWaalsContact C-N 3.27Å; K179-A181 PolarHBondContact O-N 3.38Å; K179-C182 WeakPolarHBondContact O-CA 3.3Å; K179-C182 WeakPolarHBondContact O-CB 3.39Å; K179-C182 PolarHBondContact O-N 2.95Å; K179-D183 VanDerWaalsContact CE-OD2 3.32Å; K179-D183 WeakPolarHBondContact CE-OD2 3.35Å; K179-D183 PolarHBondContact O-N 3.3Å; K179-Y415 HydrophobicContact CB-CD1 4.01Å; K179-Y415 HydrophobicContact CB-CE1 4.09Å; K179-Y415 HydrophobicContact CD-CD1 4.3Å; K179-Y415 HydrophobicContact CD-CE1 4.4Å; K179-Y415 HydrophobicContact CG-CD1 3.77Å; K179-Y415 HydrophobicContact CG-CE1 4.15Å; K179-Y415 HydrophobicContact CG-CG 4.48Å
180	K	95.3	Very high	94.8	Very high	65 Å²	65	33.8 Å²	33.8	28%	0.283	17%	0.17	S	C	.	.	H	α-helix	trans	-53.5	-44.7	175.9	-77.7	-178.7	171.6	-170.1	0	111.6	I176 L177 C182 D183 I184 L229 Y274	I176-K180 PolarHBondContact O-N 3.08Å; L177-K180 WeakPolarHBondContact O-CB 3.39Å; L177-K180 PolarHBondContact O-N 3.18Å; K180-C182 PolarHBondContact O-N 3.36Å; K180-D183 PolarHBondContact O-N 2.85Å; K180-I184 WeakPolarHBondContact O-CG1 3.35Å; K180-I184 PolarHBondContact O-N 3.17Å; K180-I184 VanDerWaalsContact O-N 3.08Å; K180-L229 HydrophobicContact CB-CD1 4.03Å; K180-L229 HydrophobicContact CD-CD1 4.09Å; K180-L229 HydrophobicContact CD-CD2 3.88Å; K180-L229 HydrophobicContact CG-CD1 4.15Å; K180-Y274 HydrophobicContact CB-CD1 3.74Å; K180-Y274 HydrophobicContact CB-CE1 4.06Å; K180-Y274 HydrophobicContact CB-CG 4.38Å; K180-Y274 HydrophobicContact CD-CD1 3.96Å; K180-Y274 HydrophobicContact CD-CE1 3.36Å; K180-Y274 HydrophobicContact CG-CE1 4.38Å; K180-Y274 PolarHBondContact NZ-OH 3.16Å
181	A	96	Very high	94.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.3	-45.9	174.8	0	0	0	0	0	112.4	L177 L178 K179 I184 T185 Y277 S279	L177-A181 PolarHBondContact O-N 3.17Å; L178-A181 PolarHBondContact O-N 3Å; K179-A181 VanDerWaalsContact C-N 3.27Å; K179-A181 PolarHBondContact O-N 3.38Å; A181-I184 PolarHBondContact O-N 3.03Å; A181-T185 PolarHBondContact O-N 2.87Å; A181-T185 PolarHBondContact O-OG1 2.84Å; A181-Y277 VanDerWaalsContact CB-O 3.26Å; A181-Y277 WeakPolarHBondContact CB-O 3.44Å; A181-S279 PolarHBondContact O-OG 3.43Å
182	C	96.9	Very high	94.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-41.1	175.9	-67.5	0	0	0	0	112.8	L178 K179 K180 T185 C186 S279 T416	L178-C182 PolarHBondContact O-N 3.24Å; L178-C182 VanDerWaalsContact O-N 3.08Å; L178-C182 PolarHBondContact O-SG 3.44Å; K179-C182 WeakPolarHBondContact O-CA 3.3Å; K179-C182 WeakPolarHBondContact O-CB 3.39Å; K179-C182 PolarHBondContact O-N 2.95Å; K180-C182 PolarHBondContact O-N 3.36Å; C182-T185 WeakPolarHBondContact O-CB 3.1Å; C182-T185 PolarHBondContact O-N 3.49Å; C182-C186 PolarHBondContact O-N 3.44Å; C182-S279 WeakPolarHBondContact SG-CB 3.26Å; C182-T416 HydrophobicContact CB-CG2 3.72Å
183	D	95.2	Very high	95.1	Very high	56 Å²	56	31.4 Å²	31.4	30%	0.299	16%	0.157	S	C	.	.	H	α-helix	trans	-63.7	-43.4	178.9	-69.3	-35.1	0	0	0	110.9	K179 K180 C186 N187	K179-D183 VanDerWaalsContact CE-OD2 3.32Å; K179-D183 WeakPolarHBondContact CE-OD2 3.35Å; K179-D183 PolarHBondContact O-N 3.3Å; K180-D183 PolarHBondContact O-N 2.85Å; D183-C186 PolarHBondContact O-N 3.43Å; D183-N187 PolarHBondContact O-N 2.64Å
184	I	95.5	Very high	95.2	Very high	3 Å²	3	30 Å²	30	2%	0.015	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-44.4	173.2	-54.2	163.9	0	0	0	110.8	K180 A181 C186 N187 L188 L220 I225 L226 L229 V234 V272 Y274	K180-I184 WeakPolarHBondContact O-CG1 3.35Å; K180-I184 PolarHBondContact O-N 3.17Å; K180-I184 VanDerWaalsContact O-N 3.08Å; A181-I184 PolarHBondContact O-N 3.03Å; I184-C186 VanDerWaalsContact C-N 3.31Å; I184-C186 PolarHBondContact O-N 2.73Å; I184-N187 WeakPolarHBondContact O-CB 3.31Å; I184-N187 PolarHBondContact O-N 2.7Å; I184-L188 WeakPolarHBondContact O-CB 3.36Å; I184-L188 PolarHBondContact O-N 3.12Å; I184-L220 HydrophobicContact CG2-CD2 4.01Å; I184-I225 HydrophobicContact CG2-CG2 4.09Å; I184-L226 HydrophobicContact CG2-CD2 4.04Å; I184-L229 HydrophobicContact CD1-CD1 3.82Å; I184-L229 HydrophobicContact CG1-CD1 4.08Å; I184-V234 HydrophobicContact CD1-CG1 4.24Å; I184-V234 HydrophobicContact CD1-CG2 3.94Å; I184-V272 HydrophobicContact CB-CG1 4.21Å; I184-V272 HydrophobicContact CD1-CG1 4.42Å; I184-V272 HydrophobicContact CG2-CB 4.41Å; I184-V272 HydrophobicContact CG2-CG1 3.94Å; I184-V272 HydrophobicContact CG2-CG2 4.23Å; I184-Y274 HydrophobicContact CD1-CD2 4.27Å; I184-Y274 HydrophobicContact CD1-CG 4.42Å
185	T	96.9	Very high	95.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.9	-42	176.1	-74.3	0	0	0	0	112.3	A181 C182 L188 F189 L270 V272 S279 V281	A181-T185 PolarHBondContact O-N 2.87Å; A181-T185 PolarHBondContact O-OG1 2.84Å; C182-T185 WeakPolarHBondContact O-CB 3.1Å; C182-T185 PolarHBondContact O-N 3.49Å; T185-L188 PolarHBondContact O-N 2.91Å; T185-F189 WeakPolarHBondContact O-CB 3.45Å; T185-F189 PolarHBondContact O-N 3.37Å; T185-L270 HydrophobicContact CG2-CD1 4Å; T185-V272 WeakPolarHBondContact OG1-CB 3.41Å; T185-V272 WeakPolarHBondContact OG1-CG2 3.29Å; T185-V272 PolarHBondContact OG1-N 3.48Å; T185-S279 PolarHBondContact OG1-OG 2.98Å; T185-V281 HydrophobicContact CG2-CB 3.77Å; T185-V281 HydrophobicContact CG2-CG1 3.49Å; T185-V281 VanDerWaalsContact CG2-CG1 3.49Å
186	C	96.4	Very high	95.2	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.014	17%	0.169	C	C	.	.	H	α-helix	trans	-69.5	-37.6	176.1	-76.2	0	0	0	0	112.7	C182 D183 I184 T190 T416 T418 A419	C182-C186 PolarHBondContact O-N 3.44Å; D183-C186 PolarHBondContact O-N 3.43Å; I184-C186 VanDerWaalsContact C-N 3.31Å; I184-C186 PolarHBondContact O-N 2.73Å; C186-T190 WeakPolarHBondContact O-CB 3.47Å; C186-T190 PolarHBondContact O-N 2.9Å; C186-T190 PolarHBondContact O-OG1 3.47Å; C186-T416 VanDerWaalsContact SG-CA 3.52Å; C186-T416 PolarHBondContact SG-O 3.15Å; C186-T416 VanDerWaalsContact SG-O 3.42Å; C186-T418 HydrophobicContact CB-CG2 4.26Å; C186-A419 HydrophobicContact CB-CB 4.31Å
187	N	94.8	Very high	95.1	Very high	24 Å²	24	30.8 Å²	30.8	13%	0.128	15%	0.146	C	C	.	.	H	α-helix	trans	-61.6	-48.2	171.3	-81.9	-18.2	0	0	0	111.4	D183 I184 T190 K191 I225 S227	D183-N187 PolarHBondContact O-N 2.64Å; I184-N187 WeakPolarHBondContact O-CB 3.31Å; I184-N187 PolarHBondContact O-N 2.7Å; N187-T190 PolarHBondContact O-N 2.98Å; N187-K191 HydrophobicContact CB-CD 4.5Å; N187-K191 WeakPolarHBondContact O-CA 3.28Å; N187-K191 VanDerWaalsContact O-CB 3.3Å; N187-K191 WeakPolarHBondContact O-CB 3.28Å; N187-K191 PolarHBondContact O-N 3.07Å; N187-K191 VanDerWaalsContact OD1-CE 3.31Å; N187-K191 WeakPolarHBondContact OD1-CE 3.27Å; N187-I225 HydrophobicContact CB-CG2 4.14Å; N187-I225 WeakPolarHBondContact CB-O 3.25Å; N187-I225 PolarHBondContact ND2-O 3.47Å; N187-S227 PolarHBondContact ND2-OG 2.9Å; N187-S227 VanDerWaalsContact ND2-OG 3.08Å
188	L	96	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.9	-42.4	-179.1	176.7	63.1	0	0	0	112.1	I184 T185 H192 L193 C216 A219 L220 I225 M236 L270 V272	I184-L188 WeakPolarHBondContact O-CB 3.36Å; I184-L188 PolarHBondContact O-N 3.12Å; T185-L188 PolarHBondContact O-N 2.91Å; L188-H192 HydrophobicContact CD1-CB 4.37Å; L188-H192 WeakPolarHBondContact O-CB 3.39Å; L188-L193 PolarHBondContact O-N 3.5Å; L188-C216 HydrophobicContact CD1-CB 4.09Å; L188-C216 HydrophobicContact CD2-CB 4.47Å; L188-A219 HydrophobicContact CD1-CB 3.79Å; L188-L220 HydrophobicContact CD2-CD2 4.04Å; L188-L220 HydrophobicContact CD2-CG 4.45Å; L188-I225 HydrophobicContact CB-CG2 4Å; L188-I225 HydrophobicContact CD1-CD1 4.35Å; L188-M236 HydrophobicContact CD2-CE 3.72Å; L188-M236 HydrophobicContact CD2-SD 4.14Å; L188-L270 HydrophobicContact CB-CD1 4.35Å; L188-L270 HydrophobicContact CD2-CD1 3.7Å; L188-L270 HydrophobicContact CG-CD1 4.01Å; L188-V272 HydrophobicContact CD2-CG2 3.64Å
189	F	96.4	Very high	94.9	Very high	5 Å²	5	34.2 Å²	34.2	2%	0.022	16%	0.164	C	C	.	.	I	π-helix	trans	-63.6	-49.6	172.2	175.7	-98.1	0	0	0	111.5	T185 K194 C268 L270 V281 R283 L285 A419	T185-F189 WeakPolarHBondContact O-CB 3.45Å; T185-F189 PolarHBondContact O-N 3.37Å; F189-K194 HydrophobicContact CE1-CB 4.4Å; F189-K194 HydrophobicContact CE1-CD 4.48Å; F189-K194 HydrophobicContact CZ-CB 4.37Å; F189-K194 VanDerWaalsContact O-CB 3.28Å; F189-K194 WeakPolarHBondContact O-CB 3.5Å; F189-K194 PolarHBondContact O-N 2.86Å; F189-C268 HydrophobicContact CD2-CB 4.44Å; F189-C268 HydrophobicContact CE2-CB 3.93Å; F189-L270 HydrophobicContact CB-CD2 4.15Å; F189-L270 HydrophobicContact CD2-CD2 4.13Å; F189-V281 HydrophobicContact CB-CG1 3.96Å; F189-V281 HydrophobicContact CG-CG1 4.26Å; F189-R283 HydrophobicContact CD1-CG 4.5Å; F189-R283 HydrophobicContact CE1-CB 4.37Å; F189-R283 HydrophobicContact CE1-CG 3.85Å; F189-R283 HydrophobicContact CE2-CB 3.92Å; F189-R283 HydrophobicContact CE2-CG 4.05Å; F189-R283 HydrophobicContact CZ-CB 3.62Å; F189-R283 HydrophobicContact CZ-CG 3.6Å; F189-L285 HydrophobicContact CZ-CD2 4.46Å; F189-A419 HydrophobicContact CD1-CB 3.67Å; F189-A419 HydrophobicContact CE1-CB 4.28Å; F189-A419 HydrophobicContact CG-CB 4.42Å
190	T	94.1	Very high	94.8	Very high	47 Å²	47	29.5 Å²	29.5	29%	0.288	14%	0.143	S	C	.	.	I	π-helix	trans	-82	-45.1	-167.1	-46.6	0	0	0	0	112.9	C186 N187 E195	C186-T190 WeakPolarHBondContact O-CB 3.47Å; C186-T190 PolarHBondContact O-N 2.9Å; C186-T190 PolarHBondContact O-OG1 3.47Å; N187-T190 PolarHBondContact O-N 2.98Å; T190-E195 WeakPolarHBondContact O-CG 3.48Å; T190-E195 VanDerWaalsContact O-OE1 3.1Å
191	K	93.2	Very high	94.6	Very high	112 Å²	112	26.7 Å²	26.7	49%	0.487	13%	0.131	S	C	.	.	I	π-helix	trans	-89	-4.8	-175.3	-53.3	-175.1	-174.9	-179.1	0	114.4	N187 N224	N187-K191 HydrophobicContact CB-CD 4.5Å; N187-K191 WeakPolarHBondContact O-CA 3.28Å; N187-K191 VanDerWaalsContact O-CB 3.3Å; N187-K191 WeakPolarHBondContact O-CB 3.28Å; N187-K191 PolarHBondContact O-N 3.07Å; N187-K191 VanDerWaalsContact OD1-CE 3.31Å; N187-K191 WeakPolarHBondContact OD1-CE 3.27Å; K191-N224 PolarHBondContact NZ-O 2.95Å
192	H	94.6	Very high	94.2	Very high	27 Å²	27	29.9 Å²	29.9	13%	0.125	15%	0.149	C	C	.	.	I	π-helix	trans	-136.6	-66.9	-176.1	-176.6	78.8	0	0	0	112.6	L188 K194 E195 Q196 G215 A219 I225	L188-H192 HydrophobicContact CD1-CB 4.37Å; L188-H192 WeakPolarHBondContact O-CB 3.39Å; H192-K194 PolarHBondContact O-N 3.06Å; H192-E195 PolarHBondContact O-N 3.42Å; H192-Q196 PolarHBondContact CE1-NE2 3.48Å; H192-Q196 WeakPolarHBondContact O-CB 3.22Å; H192-Q196 WeakPolarHBondContact O-CG 3.44Å; H192-Q196 PolarHBondContact O-N 2.95Å; H192-G215 VanDerWaalsContact NE2-C 3.26Å; H192-G215 PolarHBondContact NE2-O 2.71Å; H192-A219 HydrophobicContact CB-CB 4.38Å; H192-I225 HydrophobicContact CB-CD1 3.91Å
193	L	95.6	Very high	93.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.175	C	C	.	.	I	π-helix	trans	-65.6	-43.6	-174.3	-178.7	58.5	0	0	0	112.3	L188 I197 L212 I242 C268 L270	L188-L193 PolarHBondContact O-N 3.5Å; L193-I197 HydrophobicContact CD1-CD1 3.79Å; L193-I197 HydrophobicContact CD1-CG1 4.19Å; L193-I197 HydrophobicContact CG-CD1 3.87Å; L193-I197 WeakPolarHBondContact O-CB 3.33Å; L193-I197 VanDerWaalsContact O-CG1 3.3Å; L193-I197 WeakPolarHBondContact O-CG1 3.19Å; L193-I197 PolarHBondContact O-N 3.16Å; L193-L212 HydrophobicContact CD1-CB 4.1Å; L193-I242 HydrophobicContact CD1-CD1 3.66Å; L193-I242 HydrophobicContact CD2-CD1 4.29Å; L193-I242 HydrophobicContact CD2-CG1 4.4Å; L193-C268 HydrophobicContact CD2-CB 3.93Å; L193-L270 HydrophobicContact CB-CD2 4.38Å; L193-L270 HydrophobicContact CD2-CD2 3.44Å; L193-L270 VanDerWaalsContact CD2-CD2 3.44Å
194	K	94.6	Very high	93.4	Very high	38 Å²	38	35.7 Å²	35.7	17%	0.165	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-45.8	178.6	-171.8	-177.5	173.7	-176.7	0	111.3	F189 H192 I197 M198 L285 S425	F189-K194 HydrophobicContact CE1-CB 4.4Å; F189-K194 HydrophobicContact CE1-CD 4.48Å; F189-K194 HydrophobicContact CZ-CB 4.37Å; F189-K194 VanDerWaalsContact O-CB 3.28Å; F189-K194 WeakPolarHBondContact O-CB 3.5Å; F189-K194 PolarHBondContact O-N 2.86Å; H192-K194 PolarHBondContact O-N 3.06Å; K194-I197 PolarHBondContact O-N 2.94Å; K194-M198 HydrophobicContact CG-CE 4.24Å; K194-M198 HydrophobicContact CG-SD 4.4Å; K194-M198 WeakPolarHBondContact O-CG 3.19Å; K194-M198 PolarHBondContact O-N 3.35Å; K194-L285 HydrophobicContact CG-CD1 4.32Å; K194-S425 PolarHBondContact NZ-O 3.31Å
195	E	93.6	Very high	93.2	Very high	77 Å²	77	41.1 Å²	41.1	36%	0.36	21%	0.206	S	C	.	.	H	α-helix	trans	-60.8	-49.9	177.9	-53.6	-48.2	116.9	0	0	110.6	T190 H192 I197 M198 D199	T190-E195 WeakPolarHBondContact O-CG 3.48Å; T190-E195 VanDerWaalsContact O-OE1 3.1Å; H192-E195 PolarHBondContact O-N 3.42Å; E195-I197 VanDerWaalsContact C-N 3.29Å; E195-I197 PolarHBondContact O-N 2.93Å; E195-M198 CarbonylContact O-C 3.6Å; E195-M198 WeakPolarHBondContact O-CA 3.49Å; E195-M198 WeakPolarHBondContact O-CB 3.47Å; E195-M198 PolarHBondContact O-N 3.41Å; E195-M198 WeakPolarHBondContact OE1-CE 3.08Å; E195-M198 WeakPolarHBondContact OE2-CE 3.49Å; E195-D199 PolarHBondContact O-N 2.7Å
196	Q	93.7	Very high	92.8	Very high	61 Å²	61	48.7 Å²	48.7	29%	0.285	24%	0.239	S	C	.	.	H	α-helix	trans	-57.4	-38.8	174.8	-75.1	-165.6	-11.8	0	0	113.3	H192 M198 V200 L212	H192-Q196 PolarHBondContact CE1-NE2 3.48Å; H192-Q196 WeakPolarHBondContact O-CB 3.22Å; H192-Q196 WeakPolarHBondContact O-CG 3.44Å; H192-Q196 PolarHBondContact O-N 2.95Å; Q196-M198 VanDerWaalsContact C-N 3.33Å; Q196-V200 VanDerWaalsContact O-CB 3.23Å; Q196-V200 WeakPolarHBondContact O-CB 3.43Å; Q196-V200 WeakPolarHBondContact O-CG2 3.25Å; Q196-V200 PolarHBondContact O-N 3.11Å; Q196-L212 HydrophobicContact CB-CD2 3.88Å
197	I	94.2	Very high	92.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-36.9	174.2	-74.1	168.6	0	0	0	111	L193 K194 E195 V200 I201 L212 L261 I266 C268 L285	L193-I197 HydrophobicContact CD1-CD1 3.79Å; L193-I197 HydrophobicContact CD1-CG1 4.19Å; L193-I197 HydrophobicContact CG-CD1 3.87Å; L193-I197 WeakPolarHBondContact O-CB 3.33Å; L193-I197 VanDerWaalsContact O-CG1 3.3Å; L193-I197 WeakPolarHBondContact O-CG1 3.19Å; L193-I197 PolarHBondContact O-N 3.16Å; K194-I197 PolarHBondContact O-N 2.94Å; E195-I197 VanDerWaalsContact C-N 3.29Å; E195-I197 PolarHBondContact O-N 2.93Å; I197-V200 PolarHBondContact O-N 3.26Å; I197-I201 HydrophobicContact CG2-CD1 3.68Å; I197-I201 WeakPolarHBondContact O-CD1 3.44Å; I197-I201 WeakPolarHBondContact O-CG1 3.33Å; I197-I201 PolarHBondContact O-N 3.36Å; I197-I201 VanDerWaalsContact O-N 3.13Å; I197-L212 HydrophobicContact CG1-CD1 4.03Å; I197-L261 HydrophobicContact CG1-CD2 4.42Å; I197-L261 HydrophobicContact CG2-CD2 4.36Å; I197-I266 HydrophobicContact CD1-CG2 4.16Å; I197-I266 HydrophobicContact CG2-CD1 4.09Å; I197-C268 WeakPolarHBondContact CD1-SG 3.13Å; I197-L285 HydrophobicContact CB-CD1 4.48Å; I197-L285 HydrophobicContact CD1-CD1 4.27Å; I197-L285 HydrophobicContact CG2-CD1 3.9Å
198	M	92.9	Very high	92.8	Very high	20 Å²	20	53.6 Å²	53.6	10%	0.099	26%	0.262	C	S	.	.	H	α-helix	trans	-66.9	-48.2	174.7	-69.1	-172.6	-54.1	0	0	111.2	K194 E195 Q196 V200 I201 D202 L428 R496	K194-M198 HydrophobicContact CG-CE 4.24Å; K194-M198 HydrophobicContact CG-SD 4.4Å; K194-M198 WeakPolarHBondContact O-CG 3.19Å; K194-M198 PolarHBondContact O-N 3.35Å; E195-M198 CarbonylContact O-C 3.6Å; E195-M198 WeakPolarHBondContact O-CA 3.49Å; E195-M198 WeakPolarHBondContact O-CB 3.47Å; E195-M198 PolarHBondContact O-N 3.41Å; E195-M198 WeakPolarHBondContact OE1-CE 3.08Å; E195-M198 WeakPolarHBondContact OE2-CE 3.49Å; Q196-M198 VanDerWaalsContact C-N 3.33Å; M198-V200 PolarHBondContact O-N 2.83Å; M198-I201 PolarHBondContact O-N 3.13Å; M198-I201 VanDerWaalsContact O-N 3.13Å; M198-D202 WeakPolarHBondContact O-CB 3.17Å; M198-D202 PolarHBondContact O-N 2.94Å; M198-D202 VanDerWaalsContact O-OD1 3.11Å; M198-L428 HydrophobicContact SD-CD2 4.42Å; M198-R496 PolarHBondContact O-NH2 2.97Å
199	D	92.4	Very high	92.7	Very high	76 Å²	76	53.6 Å²	53.6	41%	0.406	26%	0.262	S	S	.	.	H	α-helix	trans	-63.7	-25	176.6	-46.4	-29.1	0	0	0	113	E195 S203 R205	E195-D199 PolarHBondContact O-N 2.7Å; D199-S203 PolarHBondContact O-OG 2.69Å; D199-R205 PolarHBondContact O-NE 3.14Å; D199-R205 PolarHBondContact O-NH2 2.78Å
200	V	92.6	Very high	92.6	Very high	5 Å²	5	58 Å²	58	3%	0.03	28%	0.283	C	S	.	.	H	α-helix	trans	-76.4	-38.5	175.8	161	0	0	0	0	110.8	Q196 I197 M198 D204 R205 V207 L212 L261 F263	Q196-V200 VanDerWaalsContact O-CB 3.23Å; Q196-V200 WeakPolarHBondContact O-CB 3.43Å; Q196-V200 WeakPolarHBondContact O-CG2 3.25Å; Q196-V200 PolarHBondContact O-N 3.11Å; I197-V200 PolarHBondContact O-N 3.26Å; M198-V200 PolarHBondContact O-N 2.83Å; V200-D204 PolarHBondContact O-N 2.65Å; V200-R205 WeakPolarHBondContact CG1-O 3.33Å; V200-R205 PolarHBondContact O-N 2.77Å; V200-V207 HydrophobicContact CG1-CB 4.13Å; V200-V207 HydrophobicContact CG1-CG2 4.27Å; V200-V207 HydrophobicContact CG2-CB 3.98Å; V200-V207 HydrophobicContact CG2-CG1 4.45Å; V200-V207 HydrophobicContact CG2-CG2 3.62Å; V200-L212 HydrophobicContact CG2-CD2 4.48Å; V200-L261 HydrophobicContact CB-CD2 4.44Å; V200-L261 HydrophobicContact CG1-CD2 3.64Å; V200-F263 HydrophobicContact CG1-CE1 4.28Å
201	I	90.8	Very high	92.7	Very high	6 Å²	6	62.3 Å²	62.3	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-79.3	-43.4	179	-60.4	157.3	0	0	0	111.8	I197 M198 S203 D204 F263 I266 V287 I430	I197-I201 HydrophobicContact CG2-CD1 3.68Å; I197-I201 WeakPolarHBondContact O-CD1 3.44Å; I197-I201 WeakPolarHBondContact O-CG1 3.33Å; I197-I201 PolarHBondContact O-N 3.36Å; I197-I201 VanDerWaalsContact O-N 3.13Å; M198-I201 PolarHBondContact O-N 3.13Å; M198-I201 VanDerWaalsContact O-N 3.13Å; I201-S203 PolarHBondContact O-N 2.88Å; I201-D204 PolarHBondContact O-N 3.15Å; I201-F263 HydrophobicContact CB-CD1 4.4Å; I201-F263 HydrophobicContact CB-CE1 4.26Å; I201-F263 HydrophobicContact CB-CE2 4.46Å; I201-F263 HydrophobicContact CB-CZ 4.3Å; I201-F263 HydrophobicContact CG1-CD1 3.64Å; I201-F263 HydrophobicContact CG1-CE1 3.68Å; I201-F263 HydrophobicContact CG1-CG 4.18Å; I201-F263 HydrophobicContact CG1-CZ 4.22Å; I201-F263 HydrophobicContact CG2-CD1 4.41Å; I201-F263 HydrophobicContact CG2-CD2 3.99Å; I201-F263 HydrophobicContact CG2-CE2 4.17Å; I201-F263 HydrophobicContact CG2-CG 4.13Å; I201-F263 HydrophobicContact CG2-CZ 4.5Å; I201-I266 HydrophobicContact CD1-CD1 3.91Å; I201-V287 HydrophobicContact CD1-CG2 3.7Å; I201-V287 HydrophobicContact CG2-CG1 4.37Å; I201-I430 HydrophobicContact CG2-CD1 3.41Å; I201-I430 VanDerWaalsContact CG2-CD1 3.41Å; I201-I430 HydrophobicContact CG2-CG1 4.09Å
202	D	87.8	Confident	92.7	Very high	68 Å²	68	57.2 Å²	57.2	36%	0.364	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.4	-177.6	-76.7	44	0	0	0	112.7	M198 R496 R499	M198-D202 WeakPolarHBondContact O-CB 3.17Å; M198-D202 PolarHBondContact O-N 2.94Å; M198-D202 VanDerWaalsContact O-OD1 3.11Å; D202-R496 IonicContact OD1-CZ 3.72Å; D202-R496 IonicContact OD1-NE 2.73Å; D202-R496 PolarHBondContact OD1-NE 3.23Å; D202-R496 IonicContact OD1-NH2 2.9Å; D202-R496 PolarHBondContact OD1-NH2 3.18Å; D202-R499 IonicContact OD1-NH1 2.87Å; D202-R499 WeakPolarHBondContact OD2-CD 3.43Å; D202-R499 IonicContact OD2-CZ 3.33Å; D202-R499 IonicContact OD2-NE 3.38Å; D202-R499 IonicContact OD2-NH1 2.71Å; D202-R499 PolarHBondContact OD2-NH1 3.27Å
203	S	88.6	Confident	92.7	Very high	78 Å²	78	56.3 Å²	56.3	55%	0.545	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	16.3	176.4	-48.9	0	0	0	0	113.9	D199 I201 R205	D199-S203 PolarHBondContact O-OG 2.69Å; I201-S203 PolarHBondContact O-N 2.88Å; S203-R205 WeakPolarHBondContact O-CG 2.97Å; S203-R205 PolarHBondContact O-N 2.97Å; S203-R205 VanDerWaalsContact O-N 3.1Å
204	D	87.8	Confident	92.7	Very high	99 Å²	99	58 Å²	58	53%	0.529	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.3	43.6	-174.2	-169.5	37.3	0	0	0	115.4	V200 I201 F263	V200-D204 PolarHBondContact O-N 2.65Å; I201-D204 PolarHBondContact O-N 3.15Å; D204-F263 HydrophobicContact CB-CE2 4.48Å; D204-F263 WeakPolarHBondContact OD1-CE2 3.47Å
205	R	89.4	Confident	92.6	Very high	117 Å²	117	57 Å²	57	44%	0.442	28%	0.284	S	S	.	.			trans	-85.3	127.1	-173.9	-69.8	-175	-66.7	165	-1.3	111.7	D199 V200 S203 V207	D199-R205 PolarHBondContact O-NE 3.14Å; D199-R205 PolarHBondContact O-NH2 2.78Å; V200-R205 WeakPolarHBondContact CG1-O 3.33Å; V200-R205 PolarHBondContact O-N 2.77Å; S203-R205 WeakPolarHBondContact O-CG 2.97Å; S203-R205 PolarHBondContact O-N 2.97Å; S203-R205 VanDerWaalsContact O-N 3.1Å; R205-V207 VanDerWaalsContact C-N 3.27Å; R205-V207 HydrophobicContact CB-CG2 4.08Å; R205-V207 PolarHBondContact O-N 3.28Å
206	K	90.5	Very high	92.6	Very high	159 Å²	159	53.3 Å²	53.3	69%	0.691	27%	0.266	S	S	*	.			trans	-78.5	70	-179.3	-70.8	163.3	-173.2	161.1	0	112	I260	K206-I260 HydrophobicContact CB-CD1 4.18Å; K206-I260 HydrophobicContact CB-CG2 4.1Å; K206-I260 HydrophobicContact CG-CG2 4.29Å
207	V	93.4	Very high	92.3	Very high	33 Å²	33	54.6 Å²	54.6	20%	0.2	27%	0.272	C	S	.	.			trans	-95.7	141.1	-178.6	-178.5	0	0	0	0	111.8	V200 R205 K211 L212 I260 L261	V200-V207 HydrophobicContact CG1-CB 4.13Å; V200-V207 HydrophobicContact CG1-CG2 4.27Å; V200-V207 HydrophobicContact CG2-CB 3.98Å; V200-V207 HydrophobicContact CG2-CG1 4.45Å; V200-V207 HydrophobicContact CG2-CG2 3.62Å; R205-V207 VanDerWaalsContact C-N 3.27Å; R205-V207 HydrophobicContact CB-CG2 4.08Å; R205-V207 PolarHBondContact O-N 3.28Å; V207-K211 HydrophobicContact CG1-CB 4.08Å; V207-K211 HydrophobicContact CG1-CG 4.19Å; V207-L212 HydrophobicContact CG1-CD1 4.45Å; V207-L212 HydrophobicContact CG1-CD2 4.28Å; V207-L212 HydrophobicContact CG1-CG 3.94Å; V207-I260 WeakPolarHBondContact O-CA 3.49Å; V207-L261 PolarHBondContact O-N 3.4Å
208	K	95.9	Very high	92.1	Very high	97 Å²	97	58.5 Å²	58.5	42%	0.422	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-81.4	150.2	178.3	-62.1	179.5	173.3	178.8	0	113	E210 K211 L212 T258 R259	K208-E210 PolarHBondContact O-N 3.43Å; K208-K211 HydrophobicContact CB-CB 4.36Å; K208-K211 PolarHBondContact O-N 3.21Å; K208-K211 VanDerWaalsContact O-N 3.08Å; K208-L212 PolarHBondContact O-N 2.93Å; K208-T258 WeakPolarHBondContact CD-O 3.19Å; K208-T258 WeakPolarHBondContact CG-O 3.49Å; K208-R259 VanDerWaalsContact CA-O 3.27Å; K208-R259 WeakPolarHBondContact CA-O 3.47Å
209	H	95.3	Very high	92	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-55.8	-49.1	173.3	-52.6	123.2	0	0	0	112.2	K211 L212 S213 I242 S244 D257 R259	H209-K211 PolarHBondContact O-N 2.84Å; H209-L212 PolarHBondContact O-N 3.06Å; H209-S213 PolarHBondContact O-N 2.82Å; H209-I242 HydrophobicContact CB-CB 4.19Å; H209-I242 HydrophobicContact CB-CG2 4.44Å; H209-I242 WeakPolarHBondContact CB-O 3.35Å; H209-S244 PolarHBondContact NE2-N 3.2Å; H209-S244 PolarHBondContact NE2-OG 3.08Å; H209-D257 WeakPolarHBondContact CB-O 3.49Å; H209-D257 IonicContact CE1-OD1 2.7Å; H209-D257 IonicContact CG-OD1 2.71Å; H209-D257 IonicContact ND1-OD1 2.67Å; H209-D257 PolarHBondContact ND1-OD1 3.04Å; H209-R259 PolarHBondContact N-O 3.31Å; H209-R259 VanDerWaalsContact N-O 3.1Å; H209-R259 PolarHBondContact ND1-O 2.79Å
210	E	94.7	Very high	91.8	Very high	98 Å²	98	54.9 Å²	54.9	46%	0.458	28%	0.275	S	S	.	.	H	α-helix	trans	-46.5	-43.6	172.7	-178.2	-169.2	-165.7	0	0	112.8	K208 S213 S214 D257	K208-E210 PolarHBondContact O-N 3.43Å; E210-S213 WeakPolarHBondContact O-CB 3.48Å; E210-S213 PolarHBondContact O-N 2.87Å; E210-S214 PolarHBondContact O-N 3.01Å; E210-D257 PolarHBondContact N-O 3.03Å
211	K	94.6	Very high	91.5	Very high	137 Å²	137	61.8 Å²	61.8	60%	0.596	30%	0.304	S	S	*	.	H	α-helix	trans	-68.3	-43.1	-175.7	-176.6	57	179.6	173.1	0	111.7	V207 K208 H209 S213 S214 G215	V207-K211 HydrophobicContact CG1-CB 4.08Å; V207-K211 HydrophobicContact CG1-CG 4.19Å; K208-K211 HydrophobicContact CB-CB 4.36Å; K208-K211 PolarHBondContact O-N 3.21Å; K208-K211 VanDerWaalsContact O-N 3.08Å; H209-K211 PolarHBondContact O-N 2.84Å; K211-S213 VanDerWaalsContact C-N 3.32Å; K211-S214 PolarHBondContact O-N 3.19Å; K211-S214 PolarHBondContact O-OG 2.74Å; K211-G215 PolarHBondContact O-N 3.38Å
212	L	94.5	Very high	91.1	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-36.8	174.7	-68.4	166.8	0	0	0	111.7	L193 Q196 I197 V200 V207 K208 H209 G215 C216 I242 L261	L193-L212 HydrophobicContact CD1-CB 4.1Å; Q196-L212 HydrophobicContact CB-CD2 3.88Å; I197-L212 HydrophobicContact CG1-CD1 4.03Å; V200-L212 HydrophobicContact CG2-CD2 4.48Å; V207-L212 HydrophobicContact CG1-CD1 4.45Å; V207-L212 HydrophobicContact CG1-CD2 4.28Å; V207-L212 HydrophobicContact CG1-CG 3.94Å; K208-L212 PolarHBondContact O-N 2.93Å; H209-L212 PolarHBondContact O-N 3.06Å; L212-G215 PolarHBondContact O-N 2.84Å; L212-C216 PolarHBondContact O-N 2.92Å; L212-C216 PolarHBondContact O-SG 2.85Å; L212-C216 VanDerWaalsContact O-SG 3.39Å; L212-I242 HydrophobicContact CB-CD1 3.37Å; L212-I242 HydrophobicContact CD1-CD1 4.46Å; L212-L261 HydrophobicContact CD1-CD1 4.32Å; L212-L261 HydrophobicContact CD1-CD2 4.13Å
213	S	94.7	Very high	90.7	Very high	9 Å²	9	66.2 Å²	66.2	6%	0.063	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-48.7	174.3	-174.3	0	0	0	0	112.1	H209 E210 K211 G215 C216 Q217 P240	H209-S213 PolarHBondContact O-N 2.82Å; E210-S213 WeakPolarHBondContact O-CB 3.48Å; E210-S213 PolarHBondContact O-N 2.87Å; K211-S213 VanDerWaalsContact C-N 3.32Å; S213-G215 PolarHBondContact O-N 2.83Å; S213-C216 WeakPolarHBondContact O-CB 3.48Å; S213-C216 PolarHBondContact O-N 2.84Å; S213-C216 VanDerWaalsContact O-N 3.16Å; S213-Q217 PolarHBondContact O-N 2.87Å; S213-P240 VanDerWaalsContact CB-O 3.25Å; S213-P240 WeakPolarHBondContact CB-O 3.35Å; S213-P240 WeakPolarHBondContact OG-CD 3.48Å; S213-P240 PolarHBondContact OG-O 2.93Å
214	S	93.8	Very high	90.5	Very high	37 Å²	37	68.5 Å²	68.5	26%	0.259	34%	0.341	S	S	.	.	H	α-helix	trans	-63.8	-26	175	75.4	0	0	0	0	113.8	E210 K211 N218	E210-S214 PolarHBondContact O-N 3.01Å; K211-S214 PolarHBondContact O-N 3.19Å; K211-S214 PolarHBondContact O-OG 2.74Å; S214-N218 PolarHBondContact O-N 2.84Å; S214-N218 PolarHBondContact O-ND2 3.48Å
215	G	92.7	Very high	90.5	Very high	15 Å²	15	64.1 Å²	64.1	16%	0.155	32%	0.317	C	S	.	.	H	α-helix	trans	-61.5	-48	172.5	0	0	0	0	0	111.3	H192 K211 L212 S213 Q217 N218 A219	H192-G215 VanDerWaalsContact NE2-C 3.26Å; H192-G215 PolarHBondContact NE2-O 2.71Å; K211-G215 PolarHBondContact O-N 3.38Å; L212-G215 PolarHBondContact O-N 2.84Å; S213-G215 PolarHBondContact O-N 2.83Å; G215-Q217 VanDerWaalsContact C-N 3.34Å; G215-Q217 PolarHBondContact O-N 2.82Å; G215-N218 PolarHBondContact O-N 3.1Å; G215-N218 VanDerWaalsContact O-N 3.08Å; G215-A219 PolarHBondContact O-N 3.23Å
216	C	93.4	Very high	90.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-38.9	-179.8	-64.1	0	0	0	0	113.2	L188 L212 S213 N218 A219 L220 M236 P240	L188-C216 HydrophobicContact CD1-CB 4.09Å; L188-C216 HydrophobicContact CD2-CB 4.47Å; L212-C216 PolarHBondContact O-N 2.92Å; L212-C216 PolarHBondContact O-SG 2.85Å; L212-C216 VanDerWaalsContact O-SG 3.39Å; S213-C216 WeakPolarHBondContact O-CB 3.48Å; S213-C216 PolarHBondContact O-N 2.84Å; S213-C216 VanDerWaalsContact O-N 3.16Å; C216-N218 VanDerWaalsContact C-N 3.32Å; C216-N218 PolarHBondContact O-N 3.21Å; C216-A219 WeakPolarHBondContact O-CB 3.43Å; C216-A219 PolarHBondContact O-N 3.13Å; C216-L220 PolarHBondContact O-N 2.9Å; C216-M236 HydrophobicContact CB-CE 3.85Å; C216-M236 WeakPolarHBondContact O-CE 3.45Å; C216-P240 HydrophobicContact CB-CB 4.46Å; C216-P240 HydrophobicContact CB-CG 3.8Å
217	Q	88.3	Confident	90	Very high	88 Å²	88	55.3 Å²	55.3	41%	0.411	29%	0.293	S	S	.	.	H	α-helix	trans	-58.9	-43.6	174.7	-73.1	-175.7	-7.9	0	0	111.7	S213 G215 M236 D239	S213-Q217 PolarHBondContact O-N 2.87Å; G215-Q217 VanDerWaalsContact C-N 3.34Å; G215-Q217 PolarHBondContact O-N 2.82Å; Q217-M236 HydrophobicContact CG-CE 4.39Å; Q217-M236 HydrophobicContact CG-CG 4.39Å; Q217-D239 PolarHBondContact NE2-OD1 2.87Å
218	N	89.4	Confident	89.3	Confident	83 Å²	83	57.3 Å²	57.3	44%	0.444	32%	0.321	S	S	.	.	H	α-helix	trans	-73.1	-32.2	179	-72.2	-71.4	0	0	0	112.2	S214 G215 C216 L220 K221	S214-N218 PolarHBondContact O-N 2.84Å; S214-N218 PolarHBondContact O-ND2 3.48Å; G215-N218 PolarHBondContact O-N 3.1Å; G215-N218 VanDerWaalsContact O-N 3.08Å; C216-N218 VanDerWaalsContact C-N 3.32Å; C216-N218 PolarHBondContact O-N 3.21Å; N218-L220 PolarHBondContact O-N 3.28Å; N218-K221 WeakPolarHBondContact O-CB 3.5Å; N218-K221 PolarHBondContact O-N 3.35Å; N218-K221 PolarHBondContact OD1-NZ 2.83Å; N218-K221 VanDerWaalsContact OD1-NZ 3.11Å
219	A	91.7	Very high	88.8	Confident	2 Å²	2	54.3 Å²	54.3	2%	0.017	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-25	176.9	0	0	0	0	0	113.9	L188 H192 G215 C216 K221 N222 I225	L188-A219 HydrophobicContact CD1-CB 3.79Å; H192-A219 HydrophobicContact CB-CB 4.38Å; G215-A219 PolarHBondContact O-N 3.23Å; C216-A219 WeakPolarHBondContact O-CB 3.43Å; C216-A219 PolarHBondContact O-N 3.13Å; A219-K221 PolarHBondContact O-N 3.14Å; A219-K221 VanDerWaalsContact O-N 3.15Å; A219-N222 WeakPolarHBondContact O-CB 3.44Å; A219-N222 PolarHBondContact O-N 3.47Å; A219-I225 HydrophobicContact CB-CD1 3.75Å
220	L	88.8	Confident	88.2	Confident	17 Å²	17	57.8 Å²	57.8	9%	0.089	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.6	172.2	-72.4	-178	0	0	0	113.8	I184 L188 C216 N218 N222 L226 V234 M236 V272	I184-L220 HydrophobicContact CG2-CD2 4.01Å; L188-L220 HydrophobicContact CD2-CD2 4.04Å; L188-L220 HydrophobicContact CD2-CG 4.45Å; C216-L220 PolarHBondContact O-N 2.9Å; N218-L220 PolarHBondContact O-N 3.28Å; L220-N222 VanDerWaalsContact C-N 3.29Å; L220-L226 HydrophobicContact CD2-CD2 4.4Å; L220-L226 WeakPolarHBondContact O-CD1 3.48Å; L220-L226 WeakPolarHBondContact O-CD2 3.49Å; L220-V234 HydrophobicContact CD1-CG1 4.24Å; L220-V234 HydrophobicContact CD2-CG1 3.93Å; L220-M236 HydrophobicContact CD1-CE 3.61Å; L220-M236 HydrophobicContact CD1-CG 3.97Å; L220-M236 HydrophobicContact CD1-SD 3.82Å; L220-M236 HydrophobicContact CG-CE 3.86Å; L220-V272 HydrophobicContact CD2-CG1 4.13Å; L220-V272 HydrophobicContact CD2-CG2 3.95Å
221	K	84.6	Confident	87.8	Confident	150 Å²	150	56.5 Å²	56.5	65%	0.652	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-9.8	173.6	-59.1	168.3	-175	163.5	0	112.8	N218 A219	N218-K221 WeakPolarHBondContact O-CB 3.5Å; N218-K221 PolarHBondContact O-N 3.35Å; N218-K221 PolarHBondContact OD1-NZ 2.83Å; N218-K221 VanDerWaalsContact OD1-NZ 3.11Å; A219-K221 PolarHBondContact O-N 3.14Å; A219-K221 VanDerWaalsContact O-N 3.15Å
222	N	83.8	Confident	87.4	Confident	86 Å²	86	57.1 Å²	57.1	46%	0.46	34%	0.337	S	S	.	.			trans	-90.3	118.6	-175.3	-63.2	-13.7	0	0	0	111.2	A219 L220 N224 I225 L226	A219-N222 WeakPolarHBondContact O-CB 3.44Å; A219-N222 PolarHBondContact O-N 3.47Å; L220-N222 VanDerWaalsContact C-N 3.29Å; N222-N224 PolarHBondContact O-N 2.91Å; N222-N224 VanDerWaalsContact O-N 3.1Å; N222-I225 PolarHBondContact O-N 3.06Å; N222-L226 PolarHBondContact O-N 2.81Å
223	S	79.3	Confident	87.1	Confident	82 Å²	82	59.7 Å²	59.7	57%	0.573	35%	0.351	S	S	*	.	H	α-helix	trans	-48.7	-38.3	177.2	52.6	0	0	0	0	114	I225 L226 S227	S223-I225 PolarHBondContact O-N 3.27Å; S223-I225 VanDerWaalsContact O-N 3.13Å; S223-L226 PolarHBondContact O-N 3.03Å; S223-L226 VanDerWaalsContact O-N 3.15Å; S223-S227 PolarHBondContact O-N 2.96Å
224	N	84.1	Confident	87	Confident	126 Å²	126	60.2 Å²	60.2	67%	0.674	35%	0.354	S	S	*	.	H	α-helix	trans	-61.7	-17.3	178.6	-69.3	-9.1	0	0	0	114.7	K191 N222	K191-N224 PolarHBondContact NZ-O 2.95Å; N222-N224 PolarHBondContact O-N 2.91Å; N222-N224 VanDerWaalsContact O-N 3.1Å
225	I	88	Confident	86.9	Confident	7 Å²	7	62.3 Å²	62.3	4%	0.036	36%	0.36	C	S	.	.	H	α-helix	trans	-99	-36.4	174.9	-69.4	172.1	0	0	0	110.9	I184 N187 L188 H192 A219 N222 S223 S227	I184-I225 HydrophobicContact CG2-CG2 4.09Å; N187-I225 HydrophobicContact CB-CG2 4.14Å; N187-I225 WeakPolarHBondContact CB-O 3.25Å; N187-I225 PolarHBondContact ND2-O 3.47Å; L188-I225 HydrophobicContact CB-CG2 4Å; L188-I225 HydrophobicContact CD1-CD1 4.35Å; H192-I225 HydrophobicContact CB-CD1 3.91Å; A219-I225 HydrophobicContact CB-CD1 3.75Å; N222-I225 PolarHBondContact O-N 3.06Å; S223-I225 PolarHBondContact O-N 3.27Å; S223-I225 VanDerWaalsContact O-N 3.13Å; I225-S227 VanDerWaalsContact C-N 3.33Å; I225-S227 PolarHBondContact O-N 3.19Å
226	L	86.8	Confident	86.9	Confident	5 Å²	5	63 Å²	63	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-74.9	-16.3	179.3	-58.6	-170.1	0	0	0	114.5	I184 L220 N222 S223 G228 L229 P231 V234	I184-L226 HydrophobicContact CG2-CD2 4.04Å; L220-L226 HydrophobicContact CD2-CD2 4.4Å; L220-L226 WeakPolarHBondContact O-CD1 3.48Å; L220-L226 WeakPolarHBondContact O-CD2 3.49Å; N222-L226 PolarHBondContact O-N 2.81Å; S223-L226 PolarHBondContact O-N 3.03Å; S223-L226 VanDerWaalsContact O-N 3.15Å; L226-G228 VanDerWaalsContact C-N 3.26Å; L226-G228 PolarHBondContact O-N 3.26Å; L226-L229 WeakPolarHBondContact CD1-O 3.42Å; L226-L229 WeakPolarHBondContact O-CB 3.41Å; L226-L229 WeakPolarHBondContact O-CG 3.48Å; L226-L229 PolarHBondContact O-N 2.96Å; L226-L229 VanDerWaalsContact O-N 3.09Å; L226-P231 HydrophobicContact CD1-CB 3.75Å; L226-P231 HydrophobicContact CD1-CG 4.47Å; L226-V234 HydrophobicContact CD2-CB 4.3Å; L226-V234 HydrophobicContact CD2-CG1 3.86Å; L226-V234 HydrophobicContact CD2-CG2 4.04Å
227	S	81.5	Confident	87	Confident	85 Å²	85	63.4 Å²	63.4	59%	0.594	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	39.5	-178.3	-65	0	0	0	0	113.6	N187 S223 I225 L229	N187-S227 PolarHBondContact ND2-OG 2.9Å; N187-S227 VanDerWaalsContact ND2-OG 3.08Å; S223-S227 PolarHBondContact O-N 2.96Å; I225-S227 VanDerWaalsContact C-N 3.33Å; I225-S227 PolarHBondContact O-N 3.19Å; S227-L229 VanDerWaalsContact C-N 3.33Å; S227-L229 PolarHBondContact O-N 3.46Å
228	G	80.2	Confident	87.2	Confident	76 Å²	76	60.8 Å²	60.8	78%	0.784	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	4.7	-179.3	0	0	0	0	0	115.4	L226	L226-G228 VanDerWaalsContact C-N 3.26Å; L226-G228 PolarHBondContact O-N 3.26Å
229	L	84.7	Confident	87.4	Confident	34 Å²	34	60.5 Å²	60.5	18%	0.178	35%	0.347	C	S	.	.			trans	-76	145	169.7	-60.7	173.9	0	0	0	110.9	K180 I184 L226 S227 Y274	K180-L229 HydrophobicContact CB-CD1 4.03Å; K180-L229 HydrophobicContact CD-CD1 4.09Å; K180-L229 HydrophobicContact CD-CD2 3.88Å; K180-L229 HydrophobicContact CG-CD1 4.15Å; I184-L229 HydrophobicContact CD1-CD1 3.82Å; I184-L229 HydrophobicContact CG1-CD1 4.08Å; L226-L229 WeakPolarHBondContact CD1-O 3.42Å; L226-L229 WeakPolarHBondContact O-CB 3.41Å; L226-L229 WeakPolarHBondContact O-CG 3.48Å; L226-L229 PolarHBondContact O-N 2.96Å; L226-L229 VanDerWaalsContact O-N 3.09Å; S227-L229 VanDerWaalsContact C-N 3.33Å; S227-L229 PolarHBondContact O-N 3.46Å; L229-Y274 HydrophobicContact CB-CE2 4.08Å; L229-Y274 HydrophobicContact CD1-CD2 4.4Å; L229-Y274 HydrophobicContact CD1-CE2 4.22Å; L229-Y274 HydrophobicContact CD2-CE2 4.34Å; L229-Y274 HydrophobicContact CG-CE2 4.45Å
230	D	83.4	Confident	87.6	Confident	72 Å²	72	60.4 Å²	60.4	39%	0.385	35%	0.346	S	S	.	.			trans	-63	123.3	-178.8	171.8	20.5	0	0	0	112.4	D232 N233 V234	D230-D232 VanDerWaalsContact C-N 3.3Å; D230-D232 PolarHBondContact O-N 3.22Å; D230-D232 PolarHBondContact OD1-N 3.03Å; D230-N233 PolarHBondContact O-N 3.48Å; D230-N233 PolarHBondContact OD2-ND2 3.42Å; D230-V234 WeakPolarHBondContact O-CG2 3.31Å
231	P	85.9	Confident	88	Confident	71 Å²	71	59.6 Å²	59.6	46%	0.461	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-61.3	-30.9	178.2	25.1	-35.1	0	0	0	114	L226 N233 V234	L226-P231 HydrophobicContact CD1-CB 3.75Å; L226-P231 HydrophobicContact CD1-CG 4.47Å; P231-N233 PolarHBondContact O-N 2.82Å; P231-N233 VanDerWaalsContact O-N 3.08Å; P231-V234 PolarHBondContact O-N 3.29Å; P231-V234 VanDerWaalsContact O-N 3.09Å
232	D	86.3	Confident	88.6	Confident	150 Å²	150	52.5 Å²	52.5	80%	0.802	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-65.1	-14.5	179	-81.1	3.2	0	0	0	112.1	D230	D230-D232 VanDerWaalsContact C-N 3.3Å; D230-D232 PolarHBondContact O-N 3.22Å; D230-D232 PolarHBondContact OD1-N 3.03Å
233	N	88.6	Confident	89.2	Confident	58 Å²	58	48.9 Å²	48.9	31%	0.31	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-102.5	9	179.1	-83.2	-80.9	0	0	0	113.8	D230 P231 Y274 Q275	D230-N233 PolarHBondContact O-N 3.48Å; D230-N233 PolarHBondContact OD2-ND2 3.42Å; P231-N233 PolarHBondContact O-N 2.82Å; P231-N233 VanDerWaalsContact O-N 3.08Å; N233-Y274 HydrophobicContact CB-CD2 4.26Å; N233-Y274 HydrophobicContact CB-CE2 3.9Å; N233-Y274 WeakPolarHBondContact O-CA 3.49Å; N233-Y274 WeakPolarHBondContact O-CD2 3.43Å; N233-Q275 HydrophobicContact CB-CG 3.98Å; N233-Q275 PolarHBondContact O-N 3.31Å; N233-Q275 VanDerWaalsContact OD1-CG 3.26Å; N233-Q275 WeakPolarHBondContact OD1-CG 3.37Å; N233-Q275 PolarHBondContact OD1-NE2 2.91Å
234	V	91.6	Very high	89.9	Confident	20 Å²	20	45 Å²	45	12%	0.121	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.2	-170.9	-178	0	0	0	0	112	I184 L220 L226 D230 P231 V272 Y274	I184-V234 HydrophobicContact CD1-CG1 4.24Å; I184-V234 HydrophobicContact CD1-CG2 3.94Å; L220-V234 HydrophobicContact CD1-CG1 4.24Å; L220-V234 HydrophobicContact CD2-CG1 3.93Å; L226-V234 HydrophobicContact CD2-CB 4.3Å; L226-V234 HydrophobicContact CD2-CG1 3.86Å; L226-V234 HydrophobicContact CD2-CG2 4.04Å; D230-V234 WeakPolarHBondContact O-CG2 3.31Å; P231-V234 PolarHBondContact O-N 3.29Å; P231-V234 VanDerWaalsContact O-N 3.09Å; V234-V272 HydrophobicContact CG1-CG1 3.57Å; V234-Y274 HydrophobicContact CG2-CD2 3.79Å; V234-Y274 HydrophobicContact CG2-CE2 4.42Å
235	E	92.2	Very high	90.3	Very high	82 Å²	82	39.4 Å²	39.4	38%	0.383	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	168.9	177.8	68.2	-170.6	155.8	0	0	112.2	V272 R273	E235-V272 WeakPolarHBondContact O-CA 3.44Å; E235-V272 WeakPolarHBondContact O-CG1 3.49Å; E235-R273 HydrophobicContact CG-CB 3.76Å; E235-R273 HydrophobicContact CG-CG 4.15Å; E235-R273 PolarHBondContact N-O 2.89Å; E235-R273 PolarHBondContact O-N 3.47Å; E235-R273 VanDerWaalsContact OE1-CD 3.22Å; E235-R273 WeakPolarHBondContact OE1-CD 3.34Å; E235-R273 IonicContact OE1-CZ 2.77Å; E235-R273 IonicContact OE1-NE 3.27Å; E235-R273 IonicContact OE1-NH1 3.15Å; E235-R273 PolarHBondContact OE1-NH1 3.34Å
236	M	93.4	Very high	90.3	Very high	30 Å²	30	40 Å²	40	15%	0.148	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	140.6	171.3	-69	-64.9	-176.5	0	0	110.9	L188 C216 Q217 L220 Y238 P240 V272	L188-M236 HydrophobicContact CD2-CE 3.72Å; L188-M236 HydrophobicContact CD2-SD 4.14Å; C216-M236 HydrophobicContact CB-CE 3.85Å; C216-M236 WeakPolarHBondContact O-CE 3.45Å; Q217-M236 HydrophobicContact CG-CE 4.39Å; Q217-M236 HydrophobicContact CG-CG 4.39Å; L220-M236 HydrophobicContact CD1-CE 3.61Å; L220-M236 HydrophobicContact CD1-CG 3.97Å; L220-M236 HydrophobicContact CD1-SD 3.82Å; L220-M236 HydrophobicContact CG-CE 3.86Å; M236-Y238 VanDerWaalsContact C-N 3.28Å; M236-P240 HydrophobicContact CE-CG 4.13Å; M236-P240 HydrophobicContact SD-CG 4.18Å; M236-V272 HydrophobicContact SD-CG2 4.46Å
237	C	93.8	Very high	90.6	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.054	27%	0.267	C	S	.	.	S	Bend	trans	-66.8	-32.7	169.2	-67	0	0	0	0	112.2	Y46 G271 V272 S279 F351	Y46-C237 WeakPolarHBondContact OH-CA 3.4Å; Y46-C237 PolarHBondContact OH-O 3.41Å; Y46-C237 VanDerWaalsContact OH-O 3.07Å; C237-G271 WeakPolarHBondContact CB-O 3.14Å; C237-G271 PolarHBondContact N-O 3.4Å; C237-G271 VanDerWaalsContact SG-C 3.59Å; C237-V272 PolarHBondContact SG-O 3.45Å; C237-S279 PolarHBondContact SG-O 3.36Å; C237-F351 HydrophobicContact CB-CB 4.49Å; C237-F351 HydrophobicContact CB-CD2 3.69Å; C237-F351 HydrophobicContact CB-CE2 4.23Å; C237-F351 HydrophobicContact CB-CG 4.26Å
238	Y	93.6	Very high	91.2	Very high	32 Å²	32	41 Å²	41	13%	0.125	24%	0.244	C	C	.	.	S	Bend	trans	-170.9	161.4	179.3	61	-81.2	0	0	0	107.3	M236 I241 F252 S269 L270 N280 F351	M236-Y238 VanDerWaalsContact C-N 3.28Å; Y238-I241 HydrophobicContact CD2-CD1 3.88Å; Y238-I241 HydrophobicContact CD2-CG1 4.1Å; Y238-I241 HydrophobicContact CE2-CB 4.48Å; Y238-I241 HydrophobicContact CE2-CD1 3.63Å; Y238-I241 HydrophobicContact CE2-CG1 3.85Å; Y238-F252 HydrophobicContact CE1-CD1 4.3Å; Y238-F252 HydrophobicContact CE2-CD1 4.42Å; Y238-F252 AromaticContact CZ-CD1 3.94Å; Y238-S269 PolarHBondContact OH-O 3.1Å; Y238-S269 PolarHBondContact OH-OG 3.34Å; Y238-L270 WeakPolarHBondContact OH-CA 3.24Å; Y238-L270 PolarHBondContact OH-N 3.43Å; Y238-L270 VanDerWaalsContact OH-N 3.13Å; Y238-N280 PolarHBondContact OH-OD1 2.9Å; Y238-F351 HydrophobicContact CD1-CD1 4.48Å; Y238-F351 HydrophobicContact CD1-CD2 4.25Å; Y238-F351 HydrophobicContact CD1-CE1 4.08Å; Y238-F351 AromaticContact CD1-CE2 3.81Å; Y238-F351 HydrophobicContact CD1-CE2 3.81Å; Y238-F351 AromaticContact CD1-CZ 3.72Å; Y238-F351 HydrophobicContact CD1-CZ 3.72Å; Y238-F351 HydrophobicContact CE1-CD2 4.25Å; Y238-F351 HydrophobicContact CE1-CE1 4.11Å; Y238-F351 AromaticContact CE1-CE2 3.41Å; Y238-F351 HydrophobicContact CE1-CE2 3.41Å; Y238-F351 VanDerWaalsContact CE1-CE2 3.41Å; Y238-F351 AromaticContact CE1-CZ 3.33Å; Y238-F351 HydrophobicContact CE1-CZ 3.33Å
239	D	93.7	Very high	91.8	Very high	77 Å²	77	40.1 Å²	40.1	41%	0.412	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-65.6	128.7	-179.7	-70.8	-37.8	0	0	0	111.9	Q217 I241	Q217-D239 PolarHBondContact NE2-OD1 2.87Å; D239-I241 PolarHBondContact O-N 2.74Å
240	P	95.8	Very high	92.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-51.5	128.1	-175.4	-33.3	39.5	0	0	0	113.3	S213 C216 M236 S256 L270	S213-P240 VanDerWaalsContact CB-O 3.25Å; S213-P240 WeakPolarHBondContact CB-O 3.35Å; S213-P240 WeakPolarHBondContact OG-CD 3.48Å; S213-P240 PolarHBondContact OG-O 2.93Å; C216-P240 HydrophobicContact CB-CB 4.46Å; C216-P240 HydrophobicContact CB-CG 3.8Å; M236-P240 HydrophobicContact CE-CG 4.13Å; M236-P240 HydrophobicContact SD-CG 4.18Å; P240-S256 PolarHBondContact O-OG 2.92Å; P240-L270 HydrophobicContact CB-CB 3.89Å; P240-L270 HydrophobicContact CG-CB 3.99Å
241	I	96.6	Very high	92.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.9	-175.9	-65.5	168.9	0	0	0	108.5	Y238 D239 Q243 I254 S256 C268 S269	Y238-I241 HydrophobicContact CD2-CD1 3.88Å; Y238-I241 HydrophobicContact CD2-CG1 4.1Å; Y238-I241 HydrophobicContact CE2-CB 4.48Å; Y238-I241 HydrophobicContact CE2-CD1 3.63Å; Y238-I241 HydrophobicContact CE2-CG1 3.85Å; D239-I241 PolarHBondContact O-N 2.74Å; I241-Q243 HydrophobicContact CG2-CG 3.99Å; I241-I254 HydrophobicContact CD1-CG1 3.83Å; I241-I254 WeakPolarHBondContact CD1-O 3.21Å; I241-I254 HydrophobicContact CG1-CG1 4.19Å; I241-I254 WeakPolarHBondContact CG1-O 3.18Å; I241-I254 HydrophobicContact CG2-CD1 3.72Å; I241-I254 HydrophobicContact CG2-CG1 3.89Å; I241-S256 WeakPolarHBondContact CA-OG 3.46Å; I241-C268 CarbonylContact O-C 3.53Å; I241-S269 PolarHBondContact N-O 2.73Å; I241-S269 PolarHBondContact O-N 2.66Å
242	I	96.8	Very high	93	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.5	-179	-54.4	168.8	0	0	0	107	L193 H209 L212 S256 L261 I266 I267	L193-I242 HydrophobicContact CD1-CD1 3.66Å; L193-I242 HydrophobicContact CD2-CD1 4.29Å; L193-I242 HydrophobicContact CD2-CG1 4.4Å; H209-I242 HydrophobicContact CB-CB 4.19Å; H209-I242 HydrophobicContact CB-CG2 4.44Å; H209-I242 WeakPolarHBondContact CB-O 3.35Å; L212-I242 HydrophobicContact CB-CD1 3.37Å; L212-I242 HydrophobicContact CD1-CD1 4.46Å; I242-S256 PolarHBondContact N-OG 3.12Å; I242-L261 HydrophobicContact CG2-CD1 4.16Å; I242-I266 HydrophobicContact CG2-CG2 4.24Å; I242-I267 CarbonylContact C-O 3.58Å; I242-I267 WeakPolarHBondContact CA-O 3.4Å
243	Q	96.1	Very high	93.1	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.047	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.2	-173.7	-63.6	177.5	88.4	0	0	111	I241 Y248 N249 I254 I267	I241-Q243 HydrophobicContact CG2-CG 3.99Å; Q243-Y248 HydrophobicContact CB-CD1 4.01Å; Q243-N249 PolarHBondContact NE2-O 2.79Å; Q243-N249 PolarHBondContact OE1-O 3.48Å; Q243-I254 VanDerWaalsContact CD-CD1 3.41Å; Q243-I254 HydrophobicContact CG-CD1 4.25Å; Q243-I267 HydrophobicContact CB-CB 4.46Å; Q243-I267 PolarHBondContact N-O 3.32Å; Q243-I267 PolarHBondContact O-N 2.93Å
244	S	95.1	Very high	93.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.			trans	-148.9	179	173.4	73.3	0	0	0	0	111	H209 R259 H262 V265	H209-S244 PolarHBondContact NE2-N 3.2Å; H209-S244 PolarHBondContact NE2-OG 3.08Å; S244-R259 PolarHBondContact O-NH1 2.98Å; S244-R259 PolarHBondContact O-NH2 2.66Å; S244-H262 PolarHBondContact OG-N 2.87Å; S244-V265 WeakPolarHBondContact CA-O 3.39Å; S244-V265 WeakPolarHBondContact CB-O 3.34Å
245	G	91.3	Very high	93.3	Very high	10 Å²	10	42 Å²	42	10%	0.103	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	70.4	165.7	0	0	0	0	0	113.8	T247 Y248 R259 A390	G245-T247 PolarHBondContact O-N 2.81Å; G245-Y248 PolarHBondContact N-OH 2.88Å; G245-R259 PolarHBondContact O-NH1 3.43Å; G245-A390 CarbonylContact C-O 3.46Å; G245-A390 WeakPolarHBondContact CA-O 3.29Å
246	G	90	Very high	93.4	Very high	18 Å²	18	38.7 Å²	38.7	19%	0.186	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	-27	173.7	0	0	0	0	0	117.2	A390 N393	G246-A390 PolarHBondContact N-O 3.2Å; G246-N393 WeakPolarHBondContact CA-O 3.26Å; G246-N393 WeakPolarHBondContact O-CB 3.37Å
247	T	91.8	Very high	93.3	Very high	84 Å²	84	39.8 Å²	39.8	52%	0.515	22%	0.215	S	C	.	.			trans	-112.7	111.8	-172	-50.4	0	0	0	0	111.3	G245 R259	G245-T247 PolarHBondContact O-N 2.81Å; T247-R259 PolarHBondContact O-NH2 3.3Å
248	Y	93.6	Very high	93.4	Very high	29 Å²	29	43.7 Å²	43.7	11%	0.114	24%	0.238	C	C	.	.			trans	-138	138.1	-178.9	-48.9	-98.1	0	0	0	110.6	Q243 G245 V265 I267 N393 A395	Q243-Y248 HydrophobicContact CB-CD1 4.01Å; G245-Y248 PolarHBondContact N-OH 2.88Å; Y248-V265 PolarHBondContact OH-O 2.89Å; Y248-V265 VanDerWaalsContact OH-O 3.09Å; Y248-I267 HydrophobicContact CD1-CD1 3.65Å; Y248-I267 HydrophobicContact CD1-CG1 4.01Å; Y248-I267 HydrophobicContact CE1-CD1 4.24Å; Y248-I267 HydrophobicContact CE1-CG1 4.2Å; Y248-I267 HydrophobicContact CG-CD1 4.46Å; Y248-N393 WeakPolarHBondContact CE2-O 3.41Å; Y248-A395 HydrophobicContact CD1-CB 4.2Å; Y248-A395 HydrophobicContact CD2-CB 4.21Å; Y248-A395 HydrophobicContact CG-CB 3.79Å
249	N	93.4	Very high	93.3	Very high	57 Å²	57	45.5 Å²	45.5	31%	0.305	25%	0.245	S	C	.	.			trans	-140.2	100.5	179.3	-178.3	6.4	0	0	0	107.1	Q243 K251 I254	Q243-N249 PolarHBondContact NE2-O 2.79Å; Q243-N249 PolarHBondContact OE1-O 3.48Å; N249-K251 VanDerWaalsContact C-N 3.27Å; N249-K251 PolarHBondContact O-N 3.15Å; N249-K251 WeakPolarHBondContact OD1-CD 3.25Å; N249-K251 WeakPolarHBondContact OD1-CG 3.48Å; N249-K251 PolarHBondContact OD1-NZ 2.93Å; N249-I254 HydrophobicContact CB-CD1 4.21Å; N249-I254 HydrophobicContact CB-CG2 4.5Å; N249-I254 WeakPolarHBondContact ND2-CG2 3.02Å; N249-I254 VanDerWaalsContact O-CD1 3.24Å; N249-I254 WeakPolarHBondContact O-CD1 3.38Å
250	L	94	Very high	93.3	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.063	25%	0.248	C	C	.	.			trans	-80.6	72.6	-168.5	-52.8	-172.9	0	0	0	111.3	I267 L340 Q379 A395 W397	L250-I267 HydrophobicContact CD2-CD1 3.56Å; L250-L340 HydrophobicContact CB-CD1 3.86Å; L250-L340 HydrophobicContact CB-CD2 4.08Å; L250-L340 HydrophobicContact CD1-CD1 3.81Å; L250-L340 HydrophobicContact CD1-CD2 4.17Å; L250-L340 HydrophobicContact CD1-CG 4.16Å; L250-L340 HydrophobicContact CG-CD1 4.5Å; L250-Q379 HydrophobicContact CD1-CB 4.15Å; L250-Q379 HydrophobicContact CG-CB 4.5Å; L250-A395 HydrophobicContact CD1-CB 4.3Å; L250-A395 HydrophobicContact CD2-CB 4.19Å; L250-W397 HydrophobicContact CB-CD2 3.96Å; L250-W397 HydrophobicContact CB-CE3 4.27Å; L250-W397 HydrophobicContact CB-CG 4.27Å; L250-W397 HydrophobicContact CB-CZ2 4.47Å; L250-W397 HydrophobicContact CD1-CB 3.98Å; L250-W397 HydrophobicContact CD1-CG 4.01Å; L250-W397 HydrophobicContact CD2-CB 3.92Å; L250-W397 HydrophobicContact CD2-CD2 4.07Å; L250-W397 HydrophobicContact CD2-CE3 3.99Å; L250-W397 HydrophobicContact CD2-CG 4.1Å; L250-W397 HydrophobicContact CG-CB 4.47Å; L250-W397 HydrophobicContact CG-CD2 4.4Å; L250-W397 HydrophobicContact CG-CG 4.34Å
251	K	92.6	Very high	93.2	Very high	107 Å²	107	46.5 Å²	46.5	47%	0.465	25%	0.249	S	C	.	.	S	Bend	trans	-145.6	154.4	-177	-58.5	-173.6	-173	101.8	0	110.1	N249 S253	N249-K251 VanDerWaalsContact C-N 3.27Å; N249-K251 PolarHBondContact O-N 3.15Å; N249-K251 WeakPolarHBondContact OD1-CD 3.25Å; N249-K251 WeakPolarHBondContact OD1-CG 3.48Å; N249-K251 PolarHBondContact OD1-NZ 2.93Å; K251-S253 VanDerWaalsContact C-N 3.29Å; K251-S253 PolarHBondContact O-N 2.79Å
252	F	92.2	Very high	93	Very high	35 Å²	35	48.6 Å²	48.6	15%	0.154	26%	0.259	C	S	.	.	S	Bend	trans	-90.9	20.9	175	-51.3	-81.8	0	0	0	113.7	Y238 N280 I282 F345 F351 W397	Y238-F252 HydrophobicContact CE1-CD1 4.3Å; Y238-F252 HydrophobicContact CE2-CD1 4.42Å; Y238-F252 AromaticContact CZ-CD1 3.94Å; F252-N280 WeakPolarHBondContact CE1-ND2 3.46Å; F252-I282 HydrophobicContact CE1-CD1 3.77Å; F252-I282 HydrophobicContact CE1-CG1 4.42Å; F252-I282 HydrophobicContact CZ-CD1 3.69Å; F252-F345 AromaticContact CD2-CE1 3.69Å; F252-F345 HydrophobicContact CD2-CE1 3.69Å; F252-F345 AromaticContact CD2-CZ 3.65Å; F252-F345 HydrophobicContact CD2-CZ 3.65Å; F252-F345 AromaticContact CE2-CE1 3.47Å; F252-F345 HydrophobicContact CE2-CE1 3.47Å; F252-F345 VanDerWaalsContact CE2-CE1 3.47Å; F252-F345 AromaticContact CE2-CZ 3.45Å; F252-F345 HydrophobicContact CE2-CZ 3.45Å; F252-F345 VanDerWaalsContact CE2-CZ 3.45Å; F252-F345 HydrophobicContact CG-CZ 4.48Å; F252-F345 HydrophobicContact CZ-CE1 4.47Å; F252-F345 HydrophobicContact CZ-CZ 4.12Å; F252-F351 HydrophobicContact CB-CE1 3.83Å; F252-F351 HydrophobicContact CB-CZ 4.34Å; F252-F351 AromaticContact CD1-CE1 3.97Å; F252-F351 HydrophobicContact CD1-CE1 3.97Å; F252-F351 AromaticContact CD1-CZ 3.62Å; F252-F351 HydrophobicContact CD1-CZ 3.62Å; F252-F351 HydrophobicContact CD2-CE1 4.2Å; F252-F351 HydrophobicContact CD2-CZ 4.44Å; F252-F351 AromaticContact CE1-CZ 3.92Å; F252-F351 HydrophobicContact CE1-CZ 3.92Å; F252-F351 AromaticContact CG-CE1 3.74Å; F252-F351 HydrophobicContact CG-CE1 3.74Å; F252-F351 AromaticContact CG-CZ 3.89Å; F252-F351 HydrophobicContact CG-CZ 3.89Å; F252-F351 HydrophobicContact CZ-CZ 4.43Å; F252-W397 HydrophobicContact CD1-CH2 4Å; F252-W397 HydrophobicContact CD2-CH2 4.38Å; F252-W397 AromaticContact CE1-CH2 3.68Å; F252-W397 HydrophobicContact CE1-CH2 3.68Å; F252-W397 HydrophobicContact CE1-CZ2 4.1Å; F252-W397 HydrophobicContact CE2-CH2 4.07Å; F252-W397 AromaticContact CE2-CZ2 3.9Å; F252-W397 HydrophobicContact CE2-CZ2 3.9Å; F252-W397 HydrophobicContact CG-CH2 4.36Å; F252-W397 AromaticContact CZ-CH2 3.74Å; F252-W397 HydrophobicContact CZ-CH2 3.74Å; F252-W397 AromaticContact CZ-CZ2 3.67Å; F252-W397 HydrophobicContact CZ-CZ2 3.67Å
253	S	89.8	Confident	92.7	Very high	94 Å²	94	51.1 Å²	51.1	66%	0.657	27%	0.27	S	S	*	.	S	Bend	trans	-127.3	42.2	-174.9	70.2	0	0	0	0	110.4	K251	K251-S253 VanDerWaalsContact C-N 3.29Å; K251-S253 PolarHBondContact O-N 2.79Å
254	I	92.3	Very high	92.4	Very high	38 Å²	38	51.2 Å²	51.2	20%	0.195	27%	0.274	C	S	.	.			trans	-139.8	158.9	176.6	59.8	172.8	0	0	0	107.4	I241 Q243 N249	I241-I254 HydrophobicContact CD1-CG1 3.83Å; I241-I254 WeakPolarHBondContact CD1-O 3.21Å; I241-I254 HydrophobicContact CG1-CG1 4.19Å; I241-I254 WeakPolarHBondContact CG1-O 3.18Å; I241-I254 HydrophobicContact CG2-CD1 3.72Å; I241-I254 HydrophobicContact CG2-CG1 3.89Å; Q243-I254 VanDerWaalsContact CD-CD1 3.41Å; Q243-I254 HydrophobicContact CG-CD1 4.25Å; N249-I254 HydrophobicContact CB-CD1 4.21Å; N249-I254 HydrophobicContact CB-CG2 4.5Å; N249-I254 WeakPolarHBondContact ND2-CG2 3.02Å; N249-I254 VanDerWaalsContact O-CD1 3.24Å; N249-I254 WeakPolarHBondContact O-CD1 3.38Å
255	E	92	Very high	92.4	Very high	159 Å²	159	51.4 Å²	51.4	74%	0.743	28%	0.275	S	S	*	.			trans	-106.2	161.9	174.5	-70.4	137.4	-142.9	0	0	110.1	D257	E255-D257 PolarHBondContact O-N 3.24Å
256	S	92.9	Very high	92.6	Very high	12 Å²	12	50.9 Å²	50.9	8%	0.084	27%	0.27	C	S	.	.			trans	-72.9	117.6	170.6	-76.8	0	0	0	0	110.1	P240 I241 I242	P240-S256 PolarHBondContact O-OG 2.92Å; I241-S256 WeakPolarHBondContact CA-OG 3.46Å; I242-S256 PolarHBondContact N-OG 3.12Å
257	D	92.6	Very high	93	Very high	53 Å²	53	50 Å²	50	28%	0.283	26%	0.261	S	S	.	.			trans	-79	176.3	-171.7	67.9	44.3	0	0	0	114.7	H209 E210 E255 R259	H209-D257 WeakPolarHBondContact CB-O 3.49Å; H209-D257 IonicContact CE1-OD1 2.7Å; H209-D257 IonicContact CG-OD1 2.71Å; H209-D257 IonicContact ND1-OD1 2.67Å; H209-D257 PolarHBondContact ND1-OD1 3.04Å; E210-D257 PolarHBondContact N-O 3.03Å; E255-D257 PolarHBondContact O-N 3.24Å; D257-R259 VanDerWaalsContact C-N 3.26Å; D257-R259 VanDerWaalsContact CG-NE 3.29Å; D257-R259 PolarHBondContact O-N 3.41Å; D257-R259 WeakPolarHBondContact OD1-CB 3.46Å; D257-R259 WeakPolarHBondContact OD1-CG 3.22Å; D257-R259 IonicContact OD1-CZ 2.79Å; D257-R259 PolarHBondContact OD1-N 2.82Å; D257-R259 IonicContact OD1-NE 2.57Å; D257-R259 PolarHBondContact OD1-NE 2.83Å; D257-R259 VanDerWaalsContact OD1-NE 3.16Å; D257-R259 IonicContact OD1-NH2 3.16Å; D257-R259 IonicContact OD2-CZ 2.74Å; D257-R259 IonicContact OD2-NE 2.84Å; D257-R259 PolarHBondContact OD2-NE 2.98Å; D257-R259 IonicContact OD2-NH2 2.79Å; D257-R259 PolarHBondContact OD2-NH2 3.27Å
258	T	94.3	Very high	93.2	Very high	89 Å²	89	46.1 Å²	46.1	55%	0.546	24%	0.237	S	C	.	.	S	Bend	trans	-81.9	5.5	-176.9	67.2	0	0	0	0	114.2	K208	K208-T258 WeakPolarHBondContact CD-O 3.19Å; K208-T258 WeakPolarHBondContact CG-O 3.49Å
259	R	92.5	Very high	93.4	Very high	70 Å²	70	44.8 Å²	44.8	26%	0.264	23%	0.232	S	C	.	.	S	Bend	trans	-75.4	152.5	179.7	-59.7	178.3	-67	127.6	5.3	110.4	K208 H209 S244 G245 T247 D257	K208-R259 VanDerWaalsContact CA-O 3.27Å; K208-R259 WeakPolarHBondContact CA-O 3.47Å; H209-R259 PolarHBondContact N-O 3.31Å; H209-R259 VanDerWaalsContact N-O 3.1Å; H209-R259 PolarHBondContact ND1-O 2.79Å; S244-R259 PolarHBondContact O-NH1 2.98Å; S244-R259 PolarHBondContact O-NH2 2.66Å; G245-R259 PolarHBondContact O-NH1 3.43Å; T247-R259 PolarHBondContact O-NH2 3.3Å; D257-R259 VanDerWaalsContact C-N 3.26Å; D257-R259 VanDerWaalsContact CG-NE 3.29Å; D257-R259 PolarHBondContact O-N 3.41Å; D257-R259 WeakPolarHBondContact OD1-CB 3.46Å; D257-R259 WeakPolarHBondContact OD1-CG 3.22Å; D257-R259 IonicContact OD1-CZ 2.79Å; D257-R259 PolarHBondContact OD1-N 2.82Å; D257-R259 IonicContact OD1-NE 2.57Å; D257-R259 PolarHBondContact OD1-NE 2.83Å; D257-R259 VanDerWaalsContact OD1-NE 3.16Å; D257-R259 IonicContact OD1-NH2 3.16Å; D257-R259 IonicContact OD2-CZ 2.74Å; D257-R259 IonicContact OD2-NE 2.84Å; D257-R259 PolarHBondContact OD2-NE 2.98Å; D257-R259 IonicContact OD2-NH2 2.79Å; D257-R259 PolarHBondContact OD2-NH2 3.27Å
260	I	93.6	Very high	93.6	Very high	93 Å²	93	42 Å²	42	48%	0.477	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-69.2	141.8	174.5	-62.2	164.9	0	0	0	109.1	K206 V207 H262	K206-I260 HydrophobicContact CB-CD1 4.18Å; K206-I260 HydrophobicContact CB-CG2 4.1Å; K206-I260 HydrophobicContact CG-CG2 4.29Å; V207-I260 WeakPolarHBondContact O-CA 3.49Å; I260-H262 PolarHBondContact O-N 2.97Å
261	L	93.7	Very high	93.7	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.026	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-60.2	118	174	-171.4	74.9	0	0	0	110.3	I197 V200 V207 L212 I242 F263 I266	I197-L261 HydrophobicContact CG1-CD2 4.42Å; I197-L261 HydrophobicContact CG2-CD2 4.36Å; V200-L261 HydrophobicContact CB-CD2 4.44Å; V200-L261 HydrophobicContact CG1-CD2 3.64Å; V207-L261 PolarHBondContact O-N 3.4Å; L212-L261 HydrophobicContact CD1-CD1 4.32Å; L212-L261 HydrophobicContact CD1-CD2 4.13Å; I242-L261 HydrophobicContact CG2-CD1 4.16Å; L261-F263 HydrophobicContact CD2-CE1 4.44Å; L261-I266 HydrophobicContact CD1-CD1 4.03Å; L261-I266 HydrophobicContact CD1-CG1 3.99Å; L261-I266 HydrophobicContact CD1-CG2 3.76Å; L261-I266 HydrophobicContact CD2-CD1 4.02Å; L261-I266 HydrophobicContact CG-CD1 4.01Å; L261-I266 HydrophobicContact CG-CG1 4.39Å
262	H	92.2	Very high	93.8	Very high	44 Å²	44	36.4 Å²	36.4	20%	0.204	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-93.2	131.6	178.6	178.3	-75.6	0	0	0	110.9	S244 I260 G264 A390	S244-H262 PolarHBondContact OG-N 2.87Å; I260-H262 PolarHBondContact O-N 2.97Å; H262-G264 PolarHBondContact ND1-N 2.98Å; H262-G264 PolarHBondContact O-N 3.08Å; H262-A390 WeakPolarHBondContact CD2-CB 3.36Å; H262-A390 WeakPolarHBondContact NE2-CB 3.48Å
263	F	90.5	Very high	93.9	Very high	54 Å²	54	35.6 Å²	35.6	24%	0.237	19%	0.188	C	C	.	.	S	Bend	trans	-80.5	66.1	-176.6	-56.7	-10.1	0	0	0	111.7	V200 I201 D204 L261 V287 I430	V200-F263 HydrophobicContact CG1-CE1 4.28Å; I201-F263 HydrophobicContact CB-CD1 4.4Å; I201-F263 HydrophobicContact CB-CE1 4.26Å; I201-F263 HydrophobicContact CB-CE2 4.46Å; I201-F263 HydrophobicContact CB-CZ 4.3Å; I201-F263 HydrophobicContact CG1-CD1 3.64Å; I201-F263 HydrophobicContact CG1-CE1 3.68Å; I201-F263 HydrophobicContact CG1-CG 4.18Å; I201-F263 HydrophobicContact CG1-CZ 4.22Å; I201-F263 HydrophobicContact CG2-CD1 4.41Å; I201-F263 HydrophobicContact CG2-CD2 3.99Å; I201-F263 HydrophobicContact CG2-CE2 4.17Å; I201-F263 HydrophobicContact CG2-CG 4.13Å; I201-F263 HydrophobicContact CG2-CZ 4.5Å; D204-F263 HydrophobicContact CB-CE2 4.48Å; D204-F263 WeakPolarHBondContact OD1-CE2 3.47Å; L261-F263 HydrophobicContact CD2-CE1 4.44Å; F263-V287 HydrophobicContact CB-CB 4.32Å; F263-V287 HydrophobicContact CB-CG1 4.15Å; F263-V287 HydrophobicContact CB-CG2 4.37Å; F263-I430 HydrophobicContact CD2-CD1 4.49Å
264	G	90.8	Very high	94.1	Very high	13 Å²	13	31.7 Å²	31.7	13%	0.134	16%	0.159	C	C	.	.	S	Bend	trans	-132.6	-119.5	170.5	0	0	0	0	0	109	H262 V287	H262-G264 PolarHBondContact ND1-N 2.98Å; H262-G264 PolarHBondContact O-N 3.08Å; G264-V287 PolarHBondContact O-N 2.93Å
265	V	94.7	Very high	94	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.9	167.3	-172.1	0	0	0	0	110.4	S244 Y248 I267 L285 M286 Y394 A395 L396	S244-V265 WeakPolarHBondContact CA-O 3.39Å; S244-V265 WeakPolarHBondContact CB-O 3.34Å; Y248-V265 PolarHBondContact OH-O 2.89Å; Y248-V265 VanDerWaalsContact OH-O 3.09Å; V265-I267 HydrophobicContact CG1-CG1 4.23Å; V265-L285 WeakPolarHBondContact CA-O 3.45Å; V265-M286 HydrophobicContact CG1-CG 4.39Å; V265-M286 HydrophobicContact CG2-CG 4.24Å; V265-M286 HydrophobicContact CG2-SD 4.5Å; V265-Y394 HydrophobicContact CG2-CD2 3.95Å; V265-Y394 HydrophobicContact CG2-CG 4.24Å; V265-A395 WeakPolarHBondContact CG1-O 3.4Å; V265-L396 HydrophobicContact CG1-CD2 4.08Å; V265-L396 HydrophobicContact CG2-CD2 4.29Å
266	I	96.3	Very high	94	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	106.3	178.5	-60.8	162.3	0	0	0	107.7	I197 I201 I242 L261 L285 V287	I197-I266 HydrophobicContact CD1-CG2 4.16Å; I197-I266 HydrophobicContact CG2-CD1 4.09Å; I201-I266 HydrophobicContact CD1-CD1 3.91Å; I242-I266 HydrophobicContact CG2-CG2 4.24Å; L261-I266 HydrophobicContact CD1-CD1 4.03Å; L261-I266 HydrophobicContact CD1-CG1 3.99Å; L261-I266 HydrophobicContact CD1-CG2 3.76Å; L261-I266 HydrophobicContact CD2-CD1 4.02Å; L261-I266 HydrophobicContact CG-CD1 4.01Å; L261-I266 HydrophobicContact CG-CG1 4.39Å; I266-L285 HydrophobicContact CB-CB 4.39Å; I266-L285 PolarHBondContact N-O 3.11Å; I266-L285 PolarHBondContact O-N 2.87Å; I266-V287 HydrophobicContact CD1-CG2 4.15Å
267	I	97.1	Very high	94.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.2	177.5	-54.9	-174.6	0	0	0	108.9	I242 Q243 Y248 L250 V265 I282 A395 W397	I242-I267 CarbonylContact C-O 3.58Å; I242-I267 WeakPolarHBondContact CA-O 3.4Å; Q243-I267 HydrophobicContact CB-CB 4.46Å; Q243-I267 PolarHBondContact N-O 3.32Å; Q243-I267 PolarHBondContact O-N 2.93Å; Y248-I267 HydrophobicContact CD1-CD1 3.65Å; Y248-I267 HydrophobicContact CD1-CG1 4.01Å; Y248-I267 HydrophobicContact CE1-CD1 4.24Å; Y248-I267 HydrophobicContact CE1-CG1 4.2Å; Y248-I267 HydrophobicContact CG-CD1 4.46Å; L250-I267 HydrophobicContact CD2-CD1 3.56Å; V265-I267 HydrophobicContact CG1-CG1 4.23Å; I267-I282 HydrophobicContact CG2-CG2 4.22Å; I267-A395 HydrophobicContact CD1-CB 3.91Å; I267-W397 HydrophobicContact CD1-CB 4.19Å; I267-W397 HydrophobicContact CG2-CB 4.05Å; I267-W397 HydrophobicContact CG2-CE3 3.95Å
268	C	97.2	Very high	94.3	Very high	1 Å²	1	24 Å²	24	1%	0.007	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.2	174.7	-58	0	0	0	0	109.4	F189 L193 I197 I241 I282 R283	F189-C268 HydrophobicContact CD2-CB 4.44Å; F189-C268 HydrophobicContact CE2-CB 3.93Å; L193-C268 HydrophobicContact CD2-CB 3.93Å; I197-C268 WeakPolarHBondContact CD1-SG 3.13Å; I241-C268 CarbonylContact O-C 3.53Å; C268-I282 VanDerWaalsContact O-CA 3.31Å; C268-I282 WeakPolarHBondContact O-CA 3.43Å; C268-R283 PolarHBondContact N-O 2.74Å; C268-R283 PolarHBondContact O-N 3.02Å
269	S	97.3	Very high	94.5	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	117.6	175.6	-177.8	0	0	0	0	109.2	Y238 I241 V281	Y238-S269 PolarHBondContact OH-O 3.1Å; Y238-S269 PolarHBondContact OH-OG 3.34Å; I241-S269 PolarHBondContact N-O 2.73Å; I241-S269 PolarHBondContact O-N 2.66Å; S269-V281 WeakPolarHBondContact CA-O 3.43Å
270	L	96.9	Very high	94.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	155.2	179.7	68.8	100.3	0	0	0	111.5	T185 L188 F189 L193 Y238 P240 N280 V281	T185-L270 HydrophobicContact CG2-CD1 4Å; L188-L270 HydrophobicContact CB-CD1 4.35Å; L188-L270 HydrophobicContact CD2-CD1 3.7Å; L188-L270 HydrophobicContact CG-CD1 4.01Å; F189-L270 HydrophobicContact CB-CD2 4.15Å; F189-L270 HydrophobicContact CD2-CD2 4.13Å; L193-L270 HydrophobicContact CB-CD2 4.38Å; L193-L270 HydrophobicContact CD2-CD2 3.44Å; L193-L270 VanDerWaalsContact CD2-CD2 3.44Å; Y238-L270 WeakPolarHBondContact OH-CA 3.24Å; Y238-L270 PolarHBondContact OH-N 3.43Å; Y238-L270 VanDerWaalsContact OH-N 3.13Å; P240-L270 HydrophobicContact CB-CB 3.89Å; P240-L270 HydrophobicContact CG-CB 3.99Å; L270-N280 CarbonylContact O-C 3.5Å; L270-N280 WeakPolarHBondContact O-CA 3.49Å; L270-N280 PolarHBondContact O-OD1 3.31Å; L270-V281 HydrophobicContact CD1-CG1 4.36Å; L270-V281 HydrophobicContact CG-CG1 4.1Å; L270-V281 PolarHBondContact N-O 3.02Å; L270-V281 VanDerWaalsContact N-O 3.07Å; L270-V281 PolarHBondContact O-N 2.93Å
271	G	96	Very high	94.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.			trans	-151.7	137.4	177.5	0	0	0	0	0	112	C237 S279	C237-G271 WeakPolarHBondContact CB-O 3.14Å; C237-G271 PolarHBondContact N-O 3.4Å; C237-G271 VanDerWaalsContact SG-C 3.59Å; G271-S279 VanDerWaalsContact CA-O 3.26Å; G271-S279 WeakPolarHBondContact CA-O 3.45Å
272	V	95.7	Very high	95.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	144.2	176.3	-176.7	0	0	0	0	109.4	I184 T185 L188 L220 V234 E235 M236 C237 S279	I184-V272 HydrophobicContact CB-CG1 4.21Å; I184-V272 HydrophobicContact CD1-CG1 4.42Å; I184-V272 HydrophobicContact CG2-CB 4.41Å; I184-V272 HydrophobicContact CG2-CG1 3.94Å; I184-V272 HydrophobicContact CG2-CG2 4.23Å; T185-V272 WeakPolarHBondContact OG1-CB 3.41Å; T185-V272 WeakPolarHBondContact OG1-CG2 3.29Å; T185-V272 PolarHBondContact OG1-N 3.48Å; L188-V272 HydrophobicContact CD2-CG2 3.64Å; L220-V272 HydrophobicContact CD2-CG1 4.13Å; L220-V272 HydrophobicContact CD2-CG2 3.95Å; V234-V272 HydrophobicContact CG1-CG1 3.57Å; E235-V272 WeakPolarHBondContact O-CA 3.44Å; E235-V272 WeakPolarHBondContact O-CG1 3.49Å; M236-V272 HydrophobicContact SD-CG2 4.46Å; C237-V272 PolarHBondContact SG-O 3.45Å; V272-S279 PolarHBondContact O-N 2.95Å; V272-S279 PolarHBondContact O-OG 3.08Å
273	R	94.4	Very high	95.3	Very high	18 Å²	18	9.7 Å²	9.7	7%	0.068	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.9	176.5	-176.3	171.4	-169.4	-129.6	14.8	108.2	E235 S276 Y277 C278 I349	E235-R273 HydrophobicContact CG-CB 3.76Å; E235-R273 HydrophobicContact CG-CG 4.15Å; E235-R273 PolarHBondContact N-O 2.89Å; E235-R273 PolarHBondContact O-N 3.47Å; E235-R273 VanDerWaalsContact OE1-CD 3.22Å; E235-R273 WeakPolarHBondContact OE1-CD 3.34Å; E235-R273 IonicContact OE1-CZ 2.77Å; E235-R273 IonicContact OE1-NE 3.27Å; E235-R273 IonicContact OE1-NH1 3.15Å; E235-R273 PolarHBondContact OE1-NH1 3.34Å; R273-S276 PolarHBondContact NE-O 3.03Å; R273-Y277 VanDerWaalsContact CA-O 3.3Å; R273-Y277 WeakPolarHBondContact CA-O 3.49Å; R273-C278 WeakPolarHBondContact CD-SG 3.42Å; R273-I349 PolarHBondContact NH2-O 3.04Å; R273-I349 VanDerWaalsContact NH2-O 3.12Å
274	Y	93.6	Very high	95.7	Very high	13 Å²	13	7.1 Å²	7.1	5%	0.051	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.4	177.9	172.6	-100.5	0	0	0	109.7	L177 K180 I184 L229 N233 V234 S276 Y277	L177-Y274 HydrophobicContact CD2-CD1 4.25Å; L177-Y274 HydrophobicContact CD2-CE1 3.78Å; K180-Y274 HydrophobicContact CB-CD1 3.74Å; K180-Y274 HydrophobicContact CB-CE1 4.06Å; K180-Y274 HydrophobicContact CB-CG 4.38Å; K180-Y274 HydrophobicContact CD-CD1 3.96Å; K180-Y274 HydrophobicContact CD-CE1 3.36Å; K180-Y274 HydrophobicContact CG-CE1 4.38Å; K180-Y274 PolarHBondContact NZ-OH 3.16Å; I184-Y274 HydrophobicContact CD1-CD2 4.27Å; I184-Y274 HydrophobicContact CD1-CG 4.42Å; L229-Y274 HydrophobicContact CB-CE2 4.08Å; L229-Y274 HydrophobicContact CD1-CD2 4.4Å; L229-Y274 HydrophobicContact CD1-CE2 4.22Å; L229-Y274 HydrophobicContact CD2-CE2 4.34Å; L229-Y274 HydrophobicContact CG-CE2 4.45Å; N233-Y274 HydrophobicContact CB-CD2 4.26Å; N233-Y274 HydrophobicContact CB-CE2 3.9Å; N233-Y274 WeakPolarHBondContact O-CA 3.49Å; N233-Y274 WeakPolarHBondContact O-CD2 3.43Å; V234-Y274 HydrophobicContact CG2-CD2 3.79Å; V234-Y274 HydrophobicContact CG2-CE2 4.42Å; Y274-S276 PolarHBondContact O-N 3.28Å; Y274-Y277 PolarHBondContact N-O 2.82Å; Y274-Y277 PolarHBondContact O-N 3.39Å
275	Q	90.5	Very high	95.9	Very high	74 Å²	74	6.6 Å²	6.6	35%	0.346	3%	0.032	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	46.5	-174.5	-70.8	-172.8	-29	0	0	112.1	L177 N233 Y277	L177-Q275 HydrophobicContact CD2-CB 4.35Å; N233-Q275 HydrophobicContact CB-CG 3.98Å; N233-Q275 PolarHBondContact O-N 3.31Å; N233-Q275 VanDerWaalsContact OD1-CG 3.26Å; N233-Q275 WeakPolarHBondContact OD1-CG 3.37Å; N233-Q275 PolarHBondContact OD1-NE2 2.91Å; Q275-Y277 WeakPolarHBondContact O-CD2 3.4Å; Q275-Y277 PolarHBondContact O-N 3.28Å
276	S	92.1	Very high	96	Very high	18 Å²	18	6.5 Å²	6.5	13%	0.126	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	-6.2	-172.5	-74.5	0	0	0	0	118.3	R273 Y274 I349	R273-S276 PolarHBondContact NE-O 3.03Å; Y274-S276 PolarHBondContact O-N 3.28Å; S276-I349 WeakPolarHBondContact O-CA 3.29Å
277	Y	95.2	Very high	95.8	Very high	8 Å²	8	6.7 Å²	6.7	3%	0.031	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.1	176.2	-74.3	-92.1	0	0	0	111.9	K170 E174 L177 L178 A181 R273 Y274 Q275 I349	K170-Y277 HydrophobicContact CD-CE1 4.44Å; E174-Y277 HydrophobicContact CB-CE1 3.71Å; E174-Y277 HydrophobicContact CG-CE1 3.97Å; E174-Y277 VanDerWaalsContact CG-OH 3.25Å; E174-Y277 WeakPolarHBondContact CG-OH 3.16Å; E174-Y277 WeakPolarHBondContact OE1-CE1 3.32Å; E174-Y277 PolarHBondContact OE1-OH 3.27Å; L177-Y277 HydrophobicContact CB-CD2 3.67Å; L177-Y277 HydrophobicContact CB-CE2 4.34Å; L177-Y277 HydrophobicContact CB-CG 3.95Å; L177-Y277 HydrophobicContact CD1-CD2 3.67Å; L177-Y277 HydrophobicContact CD1-CE2 3.64Å; L177-Y277 HydrophobicContact CG-CD2 4.33Å; L178-Y277 HydrophobicContact CB-CD1 4.35Å; A181-Y277 VanDerWaalsContact CB-O 3.26Å; A181-Y277 WeakPolarHBondContact CB-O 3.44Å; R273-Y277 VanDerWaalsContact CA-O 3.3Å; R273-Y277 WeakPolarHBondContact CA-O 3.49Å; Y274-Y277 PolarHBondContact N-O 2.82Å; Y274-Y277 PolarHBondContact O-N 3.39Å; Q275-Y277 WeakPolarHBondContact O-CD2 3.4Å; Q275-Y277 PolarHBondContact O-N 3.28Å; Y277-I349 HydrophobicContact CD1-CG1 4.37Å; Y277-I349 HydrophobicContact CE1-CD1 4.47Å; Y277-I349 HydrophobicContact CE1-CG1 3.84Å; Y277-I349 HydrophobicContact CE2-CG1 4.09Å
278	C	96.7	Very high	95.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133.9	-172.2	-61	0	0	0	0	112.8	Y46 R273 T347 G348 I349 F351	Y46-C278 PolarHBondContact OH-SG 3.35Å; R273-C278 WeakPolarHBondContact CD-SG 3.42Å; C278-T347 PolarHBondContact O-OG1 2.57Å; C278-G348 WeakPolarHBondContact CB-O 3.26Å; C278-G348 PolarHBondContact N-O 3.07Å; C278-I349 PolarHBondContact SG-O 2.89Å; C278-F351 HydrophobicContact CB-CB 4.14Å; C278-F351 HydrophobicContact CB-CD2 4.38Å; C278-F351 PolarHBondContact SG-N 2.93Å; C278-F351 VanDerWaalsContact SG-N 3.42Å
279	S	96.9	Very high	95.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.047	C	C	.	.			trans	-118.1	175.6	169.9	68.1	0	0	0	0	112.1	A181 C182 T185 C237 G271 V272	A181-S279 PolarHBondContact O-OG 3.43Å; C182-S279 WeakPolarHBondContact SG-CB 3.26Å; T185-S279 PolarHBondContact OG1-OG 2.98Å; C237-S279 PolarHBondContact SG-O 3.36Å; G271-S279 VanDerWaalsContact CA-O 3.26Å; G271-S279 WeakPolarHBondContact CA-O 3.45Å; V272-S279 PolarHBondContact O-N 2.95Å; V272-S279 PolarHBondContact O-OG 3.08Å
280	N	97.7	Very high	95	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.055	C	C	.	.			trans	-161.6	145	-179.4	-168.9	51.6	0	0	0	111.4	Y238 F252 L270 F351 N373 V401	Y238-N280 PolarHBondContact OH-OD1 2.9Å; F252-N280 WeakPolarHBondContact CE1-ND2 3.46Å; L270-N280 CarbonylContact O-C 3.5Å; L270-N280 WeakPolarHBondContact O-CA 3.49Å; L270-N280 PolarHBondContact O-OD1 3.31Å; N280-F351 HydrophobicContact CB-CE2 3.89Å; N280-N373 VanDerWaalsContact CB-ND2 3.28Å; N280-N373 WeakPolarHBondContact CB-ND2 3.44Å; N280-N373 VanDerWaalsContact CG-ND2 3.34Å; N280-N373 PolarHBondContact ND2-ND2 3.35Å; N280-N373 VanDerWaalsContact ND2-ND2 3.11Å; N280-N373 PolarHBondContact ND2-OD1 3.45Å; N280-V401 HydrophobicContact CB-CG2 3.93Å
281	V	97.6	Very high	94.8	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142.1	165.7	72.8	0	0	0	0	110.2	T185 F189 S269 L270 R283 A419	T185-V281 HydrophobicContact CG2-CB 3.77Å; T185-V281 HydrophobicContact CG2-CG1 3.49Å; T185-V281 VanDerWaalsContact CG2-CG1 3.49Å; F189-V281 HydrophobicContact CB-CG1 3.96Å; F189-V281 HydrophobicContact CG-CG1 4.26Å; S269-V281 WeakPolarHBondContact CA-O 3.43Å; L270-V281 HydrophobicContact CD1-CG1 4.36Å; L270-V281 HydrophobicContact CG-CG1 4.1Å; L270-V281 PolarHBondContact N-O 3.02Å; L270-V281 VanDerWaalsContact N-O 3.07Å; L270-V281 PolarHBondContact O-N 2.93Å; V281-R283 HydrophobicContact CG2-CG 4.3Å; V281-R283 VanDerWaalsContact CG2-CZ 3.45Å; V281-A419 HydrophobicContact CG2-CB 3.88Å
282	I	97.9	Very high	94.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.4	174.3	-40.8	179.8	0	0	0	109.6	F252 I267 C268 N375 W397 G399	F252-I282 HydrophobicContact CE1-CD1 3.77Å; F252-I282 HydrophobicContact CE1-CG1 4.42Å; F252-I282 HydrophobicContact CZ-CD1 3.69Å; I267-I282 HydrophobicContact CG2-CG2 4.22Å; C268-I282 VanDerWaalsContact O-CA 3.31Å; C268-I282 WeakPolarHBondContact O-CA 3.43Å; I282-N375 HydrophobicContact CD1-CB 3.86Å; I282-W397 HydrophobicContact CD1-CD2 3.76Å; I282-W397 HydrophobicContact CD1-CE3 3.98Å; I282-W397 HydrophobicContact CD1-CG 4.44Å; I282-W397 HydrophobicContact CD1-CH2 3.78Å; I282-W397 HydrophobicContact CD1-CZ2 3.54Å; I282-W397 HydrophobicContact CD1-CZ3 4Å; I282-W397 HydrophobicContact CG2-CB 4.11Å; I282-W397 HydrophobicContact CG2-CD2 3.77Å; I282-W397 HydrophobicContact CG2-CE3 3.63Å; I282-W397 HydrophobicContact CG2-CG 3.97Å; I282-W397 HydrophobicContact CG2-CZ3 4.33Å; I282-G399 PolarHBondContact N-O 3.21Å; I282-G399 PolarHBondContact O-N 3.1Å
283	R	97.3	Very high	94.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	136.1	177.3	-59.3	-64.5	175.3	-109.9	5.6	109.7	F189 C268 V281 G399 D400 T416 A419	F189-R283 HydrophobicContact CD1-CG 4.5Å; F189-R283 HydrophobicContact CE1-CB 4.37Å; F189-R283 HydrophobicContact CE1-CG 3.85Å; F189-R283 HydrophobicContact CE2-CB 3.92Å; F189-R283 HydrophobicContact CE2-CG 4.05Å; F189-R283 HydrophobicContact CZ-CB 3.62Å; F189-R283 HydrophobicContact CZ-CG 3.6Å; C268-R283 PolarHBondContact N-O 2.74Å; C268-R283 PolarHBondContact O-N 3.02Å; V281-R283 HydrophobicContact CG2-CG 4.3Å; V281-R283 VanDerWaalsContact CG2-CZ 3.45Å; R283-G399 PolarHBondContact NH1-O 3.05Å; R283-D400 IonicContact CZ-OD1 2.66Å; R283-D400 IonicContact CZ-OD2 3.52Å; R283-D400 IonicContact NH1-OD1 3.48Å; R283-D400 PolarHBondContact NH1-OD1 3.24Å; R283-D400 IonicContact NH1-OD2 2.64Å; R283-D400 PolarHBondContact NH1-OD2 3.12Å; R283-D400 IonicContact NH2-OD1 3.94Å; R283-D400 PolarHBondContact NH2-OD1 3.06Å; R283-D400 IonicContact NH2-OD2 2.84Å; R283-D400 PolarHBondContact NH2-OD2 3.31Å; R283-T416 PolarHBondContact NH2-O 2.9Å; R283-A419 PolarHBondContact NE-O 3.05Å; R283-A419 PolarHBondContact NH2-O 3.27Å
284	S	97.3	Very high	94.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	108	166.5	-56	0	0	0	0	107.8	W397	S284-W397 PolarHBondContact N-O 3.08Å; S284-W397 PolarHBondContact OG-N 3.31Å; S284-W397 PolarHBondContact OG-O 2.82Å
285	L	96.6	Very high	94.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	143.5	167.6	-59.4	174.8	0	0	0	107.9	F189 K194 I197 V265 I266 I426 L428	F189-L285 HydrophobicContact CZ-CD2 4.46Å; K194-L285 HydrophobicContact CG-CD1 4.32Å; I197-L285 HydrophobicContact CB-CD1 4.48Å; I197-L285 HydrophobicContact CD1-CD1 4.27Å; I197-L285 HydrophobicContact CG2-CD1 3.9Å; V265-L285 WeakPolarHBondContact CA-O 3.45Å; I266-L285 HydrophobicContact CB-CB 4.39Å; I266-L285 PolarHBondContact N-O 3.11Å; I266-L285 PolarHBondContact O-N 2.87Å; L285-I426 HydrophobicContact CD2-CB 4.15Å; L285-I426 HydrophobicContact CD2-CG2 4.15Å; L285-L428 HydrophobicContact CB-CD1 4.41Å
286	M	94.9	Very high	95	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	114.3	-177.9	-50	-166.8	-58.2	0	0	110.4	V265 P289 Y297 L396 I426 S427 L428	V265-M286 HydrophobicContact CG1-CG 4.39Å; V265-M286 HydrophobicContact CG2-CG 4.24Å; V265-M286 HydrophobicContact CG2-SD 4.5Å; M286-P289 HydrophobicContact CB-CB 3.88Å; M286-P289 HydrophobicContact CB-CG 4.1Å; M286-P289 HydrophobicContact CE-CB 3.77Å; M286-P289 HydrophobicContact CE-CG 4.14Å; M286-P289 HydrophobicContact SD-CB 4.35Å; M286-Y297 HydrophobicContact CE-CD2 4.4Å; M286-Y297 HydrophobicContact CE-CG 3.92Å; M286-Y297 HydrophobicContact SD-CD2 4.1Å; M286-Y297 HydrophobicContact SD-CG 4.13Å; M286-L396 HydrophobicContact SD-CD2 3.78Å; M286-I426 HydrophobicContact CE-CD1 3.75Å; M286-I426 HydrophobicContact CG-CD1 4Å; M286-I426 PolarHBondContact N-O 3.37Å; M286-I426 HydrophobicContact SD-CD1 4.37Å; M286-S427 CarbonylContact O-C 3.52Å; M286-S427 WeakPolarHBondContact O-CA 3.48Å; M286-L428 PolarHBondContact O-N 3.34Å
287	V	93.1	Very high	95.2	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.03	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	137.2	171.9	-166.3	0	0	0	0	108.8	I201 F263 G264 I266 P289 L428 I430	I201-V287 HydrophobicContact CD1-CG2 3.7Å; I201-V287 HydrophobicContact CG2-CG1 4.37Å; F263-V287 HydrophobicContact CB-CB 4.32Å; F263-V287 HydrophobicContact CB-CG1 4.15Å; F263-V287 HydrophobicContact CB-CG2 4.37Å; G264-V287 PolarHBondContact O-N 2.93Å; I266-V287 HydrophobicContact CD1-CG2 4.15Å; V287-P289 VanDerWaalsContact C-CD 3.43Å; V287-P289 VanDerWaalsContact C-N 3.33Å; V287-P289 VanDerWaalsContact O-N 3.16Å; V287-L428 WeakPolarHBondContact CA-O 3.4Å; V287-I430 HydrophobicContact CG1-CD1 3.65Å; V287-I430 HydrophobicContact CG1-CG1 3.64Å
288	N	90.8	Very high	95.3	Very high	49 Å²	49	21.4 Å²	21.4	26%	0.262	12%	0.122	S	C	.	.	S	Bend	trans	36.8	52.9	-176	-68.5	5.7	0	0	0	114.8	T290 L428 Y429 I430 E432	N288-T290 PolarHBondContact O-N 2.81Å; N288-L428 PolarHBondContact N-O 2.86Å; N288-Y429 WeakPolarHBondContact OD1-CA 3.06Å; N288-I430 PolarHBondContact ND2-O 3.49Å; N288-I430 PolarHBondContact OD1-N 3.42Å; N288-I430 PolarHBondContact OD1-O 3.38Å; N288-I430 VanDerWaalsContact OD1-O 3.09Å; N288-E432 PolarHBondContact ND2-OE1 2.67Å
289	P	91.9	Very high	95.3	Very high	8 Å²	8	22.7 Å²	22.7	5%	0.052	13%	0.127	C	C	.	.			trans	-68.4	127.8	-174.6	27.2	-32.8	0	0	0	111.4	M286 V287 Q293 S294 Y429	M286-P289 HydrophobicContact CB-CB 3.88Å; M286-P289 HydrophobicContact CB-CG 4.1Å; M286-P289 HydrophobicContact CE-CB 3.77Å; M286-P289 HydrophobicContact CE-CG 4.14Å; M286-P289 HydrophobicContact SD-CB 4.35Å; V287-P289 VanDerWaalsContact C-CD 3.43Å; V287-P289 VanDerWaalsContact C-N 3.33Å; V287-P289 VanDerWaalsContact O-N 3.16Å; P289-Q293 HydrophobicContact CB-CB 4.07Å; P289-S294 PolarHBondContact O-OG 3.27Å; P289-Y429 HydrophobicContact CG-CD1 4.36Å; P289-Y429 HydrophobicContact CG-CE1 3.71Å
290	T	92.3	Very high	95.3	Very high	27 Å²	27	22.7 Å²	22.7	17%	0.166	13%	0.127	C	C	.	.			trans	-60.8	163.9	172.4	69.1	0	0	0	0	111.4	N288 E292 Q293 S294 L385	N288-T290 PolarHBondContact O-N 2.81Å; T290-E292 PolarHBondContact O-N 2.93Å; T290-Q293 PolarHBondContact O-N 3.5Å; T290-Q293 VanDerWaalsContact O-N 3.13Å; T290-Q293 WeakPolarHBondContact OG1-CG 3.41Å; T290-Q293 PolarHBondContact OG1-N 2.98Å; T290-Q293 PolarHBondContact OG1-OE1 2.65Å; T290-S294 WeakPolarHBondContact O-CB 3.31Å; T290-S294 PolarHBondContact O-N 2.86Å; T290-S294 PolarHBondContact O-OG 3.5Å; T290-S294 VanDerWaalsContact O-OG 3.07Å; T290-L385 HydrophobicContact CG2-CB 4.41Å; T290-L385 HydrophobicContact CG2-CD1 3.96Å
291	D	92.6	Very high	95.3	Very high	148 Å²	148	23.4 Å²	23.4	79%	0.791	13%	0.13	S	C	*	.	H	α-helix	trans	-56.9	-36.6	175.5	-74.5	-27.7	0	0	0	112.3	A295	D291-A295 WeakPolarHBondContact O-CB 3.41Å; D291-A295 PolarHBondContact O-N 3.14Å
292	E	93.2	Very high	95.2	Very high	85 Å²	85	27.5 Å²	27.5	40%	0.397	15%	0.152	S	C	.	.	H	α-helix	trans	-69.1	-42	176	-178.5	160.6	-142	0	0	112	T290 A295 N296	T290-E292 PolarHBondContact O-N 2.93Å; E292-A295 PolarHBondContact O-N 3.02Å; E292-N296 WeakPolarHBondContact CG-ND2 3.45Å; E292-N296 VanDerWaalsContact O-CB 3.25Å; E292-N296 WeakPolarHBondContact O-CB 3.41Å; E292-N296 PolarHBondContact O-N 2.97Å; E292-N296 PolarHBondContact O-ND2 3.47Å
293	Q	94.3	Very high	95.2	Very high	11 Å²	11	27.5 Å²	27.5	5%	0.051	15%	0.152	C	C	.	.	H	α-helix	trans	-62.6	-45.6	173.7	-76.2	169.4	-28.4	0	0	111.5	P289 T290 N296 Y297 Y394	P289-Q293 HydrophobicContact CB-CB 4.07Å; T290-Q293 PolarHBondContact O-N 3.5Å; T290-Q293 VanDerWaalsContact O-N 3.13Å; T290-Q293 WeakPolarHBondContact OG1-CG 3.41Å; T290-Q293 PolarHBondContact OG1-N 2.98Å; T290-Q293 PolarHBondContact OG1-OE1 2.65Å; Q293-N296 PolarHBondContact O-N 3.45Å; Q293-Y297 WeakPolarHBondContact O-CB 3.46Å; Q293-Y297 PolarHBondContact O-N 2.9Å; Q293-Y394 HydrophobicContact CG-CD1 4.35Å; Q293-Y394 HydrophobicContact CG-CD2 4.33Å; Q293-Y394 HydrophobicContact CG-CE1 3.79Å; Q293-Y394 HydrophobicContact CG-CE2 3.76Å; Q293-Y394 VanDerWaalsContact CG-CZ 3.47Å
294	S	94.2	Very high	95.2	Very high	20 Å²	20	27.5 Å²	27.5	14%	0.14	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-42.6	177.6	-64.2	0	0	0	0	112.2	P289 T290 T298	P289-S294 PolarHBondContact O-OG 3.27Å; T290-S294 WeakPolarHBondContact O-CB 3.31Å; T290-S294 PolarHBondContact O-N 2.86Å; T290-S294 PolarHBondContact O-OG 3.5Å; T290-S294 VanDerWaalsContact O-OG 3.07Å; S294-T298 WeakPolarHBondContact O-CB 3.22Å; S294-T298 PolarHBondContact O-N 3.43Å; S294-T298 PolarHBondContact O-OG1 2.85Å
295	A	95.4	Very high	95.2	Very high	37 Å²	37	30.3 Å²	30.3	31%	0.306	17%	0.167	S	C	.	.	H	α-helix	trans	-68.5	-40.7	175.8	0	0	0	0	0	112.6	D291 E292 T298 Y299	D291-A295 WeakPolarHBondContact O-CB 3.41Å; D291-A295 PolarHBondContact O-N 3.14Å; E292-A295 PolarHBondContact O-N 3.02Å; A295-T298 PolarHBondContact O-N 2.93Å; A295-Y299 WeakPolarHBondContact O-CB 3.39Å; A295-Y299 PolarHBondContact O-N 3.46Å
296	N	96.3	Very high	95.2	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.032	18%	0.178	C	C	.	.	H	α-helix	trans	-69.3	-37.1	178.4	-71.7	-22.4	0	0	0	111.9	E292 Q293 L300 Y394 L396	E292-N296 WeakPolarHBondContact CG-ND2 3.45Å; E292-N296 VanDerWaalsContact O-CB 3.25Å; E292-N296 WeakPolarHBondContact O-CB 3.41Å; E292-N296 PolarHBondContact O-N 2.97Å; E292-N296 PolarHBondContact O-ND2 3.47Å; Q293-N296 PolarHBondContact O-N 3.45Å; N296-L300 WeakPolarHBondContact O-CB 3.32Å; N296-L300 PolarHBondContact O-N 2.88Å; N296-Y394 PolarHBondContact ND2-OH 2.98Å; N296-Y394 VanDerWaalsContact ND2-OH 3.1Å; N296-L396 HydrophobicContact CB-CD1 3.92Å
297	Y	96.9	Very high	95.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.8	-43.2	172.1	-175.5	-83.1	0	0	0	112.1	M286 Q293 Y299 L300 H301 L396 L398 R421 P423 I426	M286-Y297 HydrophobicContact CE-CD2 4.4Å; M286-Y297 HydrophobicContact CE-CG 3.92Å; M286-Y297 HydrophobicContact SD-CD2 4.1Å; M286-Y297 HydrophobicContact SD-CG 4.13Å; Q293-Y297 WeakPolarHBondContact O-CB 3.46Å; Q293-Y297 PolarHBondContact O-N 2.9Å; Y297-Y299 VanDerWaalsContact C-N 3.31Å; Y297-Y299 PolarHBondContact O-N 2.86Å; Y297-L300 WeakPolarHBondContact O-CB 3.35Å; Y297-L300 PolarHBondContact O-N 2.88Å; Y297-L300 VanDerWaalsContact O-N 3.14Å; Y297-H301 HydrophobicContact CE1-CB 4.21Å; Y297-H301 WeakPolarHBondContact O-CB 3.47Å; Y297-H301 PolarHBondContact O-N 3.44Å; Y297-L396 HydrophobicContact CD2-CD2 4.28Å; Y297-L398 HydrophobicContact CE2-CD1 4.17Å; Y297-L398 HydrophobicContact CE2-CD2 3.98Å; Y297-L398 HydrophobicContact CE2-CG 4.25Å; Y297-L398 VanDerWaalsContact OH-CD2 3.32Å; Y297-L398 WeakPolarHBondContact OH-CD2 3.44Å; Y297-R421 WeakPolarHBondContact CE1-O 3.47Å; Y297-R421 PolarHBondContact OH-O 3.38Å; Y297-P423 HydrophobicContact CD1-CB 4.11Å; Y297-P423 HydrophobicContact CD1-CG 3.96Å; Y297-P423 HydrophobicContact CE1-CB 4.33Å; Y297-P423 HydrophobicContact CE1-CG 4.06Å; Y297-I426 HydrophobicContact CD1-CD1 3.66Å; Y297-I426 HydrophobicContact CD1-CG1 4.26Å; Y297-I426 HydrophobicContact CD2-CD1 3.81Å; Y297-I426 HydrophobicContact CE1-CD1 3.51Å; Y297-I426 HydrophobicContact CE1-CG1 3.62Å; Y297-I426 HydrophobicContact CE2-CD1 3.64Å; Y297-I426 HydrophobicContact CE2-CG1 4.08Å; Y297-I426 HydrophobicContact CG-CD1 3.83Å; Y297-I426 VanDerWaalsContact CZ-CD1 3.5Å
298	T	96.8	Very high	95.5	Very high	51 Å²	51	33.9 Å²	33.9	31%	0.313	18%	0.181	S	C	.	.	H	α-helix	trans	-61	-42.7	176.8	-56	0	0	0	0	110.7	S294 A295 L300 H301 D302 P423	S294-T298 WeakPolarHBondContact O-CB 3.22Å; S294-T298 PolarHBondContact O-N 3.43Å; S294-T298 PolarHBondContact O-OG1 2.85Å; A295-T298 PolarHBondContact O-N 2.93Å; T298-L300 PolarHBondContact O-N 3.35Å; T298-H301 WeakPolarHBondContact O-CB 3.2Å; T298-H301 PolarHBondContact O-N 2.98Å; T298-D302 VanDerWaalsContact O-CG 3.28Å; T298-D302 PolarHBondContact O-N 3.1Å; T298-P423 HydrophobicContact CG2-CG 4.34Å
299	Y	97.2	Very high	95.7	Very high	27 Å²	27	37.7 Å²	37.7	11%	0.106	20%	0.197	C	C	.	.	H	α-helix	trans	-61.8	-41.9	172.7	-174.7	-107.2	0	0	0	112.9	A295 Y297 H301 L303 V328 E331 R332 L335 F378	A295-Y299 WeakPolarHBondContact O-CB 3.39Å; A295-Y299 PolarHBondContact O-N 3.46Å; Y297-Y299 VanDerWaalsContact C-N 3.31Å; Y297-Y299 PolarHBondContact O-N 2.86Å; Y299-H301 PolarHBondContact O-N 2.89Å; Y299-L303 HydrophobicContact CE1-CD2 4.08Å; Y299-L303 WeakPolarHBondContact O-CB 3.44Å; Y299-L303 PolarHBondContact O-N 3.34Å; Y299-V328 HydrophobicContact CE1-CG2 4.28Å; Y299-E331 HydrophobicContact CE2-CB 4.06Å; Y299-E331 VanDerWaalsContact CE2-OE2 3.32Å; Y299-E331 WeakPolarHBondContact CE2-OE2 3.39Å; Y299-E331 PolarHBondContact OH-OE2 2.83Å; Y299-R332 HydrophobicContact CD1-CB 4.25Å; Y299-R332 HydrophobicContact CD1-CG 3.75Å; Y299-R332 HydrophobicContact CD2-CG 3.94Å; Y299-R332 HydrophobicContact CE1-CB 3.91Å; Y299-R332 HydrophobicContact CE1-CG 3.73Å; Y299-R332 HydrophobicContact CE2-CG 3.93Å; Y299-R332 HydrophobicContact CG-CG 3.87Å; Y299-L335 HydrophobicContact CD1-CD1 3.9Å; Y299-L335 HydrophobicContact CE1-CD1 4.46Å; Y299-F378 HydrophobicContact CD1-CE2 4.22Å; Y299-F378 HydrophobicContact CD1-CZ 4.11Å; Y299-F378 HydrophobicContact CE1-CZ 4.12Å
300	L	97.3	Very high	95.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-42.3	175.1	179.3	61.5	0	0	0	111.9	N296 Y297 T298 F304 L376 F378 L396 L398	N296-L300 WeakPolarHBondContact O-CB 3.32Å; N296-L300 PolarHBondContact O-N 2.88Å; Y297-L300 WeakPolarHBondContact O-CB 3.35Å; Y297-L300 PolarHBondContact O-N 2.88Å; Y297-L300 VanDerWaalsContact O-N 3.14Å; T298-L300 PolarHBondContact O-N 3.35Å; L300-F304 WeakPolarHBondContact O-CB 3.11Å; L300-F304 PolarHBondContact O-N 3.47Å; L300-L376 HydrophobicContact CD1-CB 4.27Å; L300-L376 HydrophobicContact CD1-CD2 3.92Å; L300-L376 HydrophobicContact CD1-CG 3.73Å; L300-F378 HydrophobicContact CB-CD2 4.14Å; L300-F378 HydrophobicContact CB-CE2 3.91Å; L300-F378 HydrophobicContact CD1-CD2 3.98Å; L300-F378 HydrophobicContact CD1-CE2 3.79Å; L300-F378 HydrophobicContact CD2-CD2 4.47Å; L300-F378 HydrophobicContact CG-CD2 4.41Å; L300-F378 HydrophobicContact CG-CE2 4.37Å; L300-L396 HydrophobicContact CD2-CB 3.6Å; L300-L398 HydrophobicContact CD2-CD1 4.28Å; L300-L398 HydrophobicContact CD2-CG 4.09Å; L300-L398 HydrophobicContact CG-CD1 4.13Å; L300-L398 HydrophobicContact CG-CG 4.41Å
301	H	96.9	Very high	96.1	Very high	14 Å²	14	39.1 Å²	39.1	7%	0.065	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-51.9	178	175.4	-82	0	0	0	111.7	Y297 T298 Y299 L303 F304 D305 R421	Y297-H301 HydrophobicContact CE1-CB 4.21Å; Y297-H301 WeakPolarHBondContact O-CB 3.47Å; Y297-H301 PolarHBondContact O-N 3.44Å; T298-H301 WeakPolarHBondContact O-CB 3.2Å; T298-H301 PolarHBondContact O-N 2.98Å; Y299-H301 PolarHBondContact O-N 2.89Å; H301-L303 VanDerWaalsContact C-N 3.33Å; H301-L303 PolarHBondContact O-N 3.45Å; H301-F304 WeakPolarHBondContact O-CA 3.41Å; H301-F304 WeakPolarHBondContact O-CB 3.41Å; H301-F304 PolarHBondContact O-N 2.82Å; H301-D305 IonicContact CE1-OD2 2.7Å; H301-D305 PolarHBondContact CE1-OD2 2.85Å; H301-D305 IonicContact ND1-OD2 3.61Å; H301-D305 IonicContact NE2-OD2 3.17Å; H301-D305 PolarHBondContact O-N 2.72Å; H301-R421 PolarHBondContact CD2-O 2.74Å; H301-R421 VanDerWaalsContact CD2-O 3.28Å
302	D	97.1	Very high	96.1	Very high	87 Å²	87	37.6 Å²	37.6	47%	0.465	19%	0.188	S	C	.	.	H	α-helix	trans	-72.6	-30.9	-174.9	-59.1	-13.6	0	0	0	111.4	T298 W306	T298-D302 VanDerWaalsContact O-CG 3.28Å; T298-D302 PolarHBondContact O-N 3.1Å; D302-W306 WeakPolarHBondContact O-CB 3.48Å; D302-W306 PolarHBondContact O-N 2.9Å
303	L	97.3	Very high	96.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-37.1	167.5	-177	66.3	0	0	0	111.7	Y299 H301 W306 C307 K327 V328 L376 F378	Y299-L303 HydrophobicContact CE1-CD2 4.08Å; Y299-L303 WeakPolarHBondContact O-CB 3.44Å; Y299-L303 PolarHBondContact O-N 3.34Å; H301-L303 VanDerWaalsContact C-N 3.33Å; H301-L303 PolarHBondContact O-N 3.45Å; L303-W306 HydrophobicContact CD1-CE3 4.1Å; L303-W306 PolarHBondContact O-N 3.07Å; L303-C307 WeakPolarHBondContact O-CB 3.46Å; L303-C307 PolarHBondContact O-N 3.41Å; L303-C307 PolarHBondContact O-SG 3.19Å; L303-K327 HydrophobicContact CD1-CD 3.59Å; L303-K327 VanDerWaalsContact CD1-CE 3.46Å; L303-K327 HydrophobicContact CD1-CG 4.02Å; L303-V328 HydrophobicContact CD1-CG2 4.37Å; L303-V328 HydrophobicContact CD2-CG2 3.43Å; L303-V328 VanDerWaalsContact CD2-CG2 3.43Å; L303-L376 HydrophobicContact CB-CD2 4.36Å; L303-L376 HydrophobicContact CD2-CD2 3.85Å; L303-L376 HydrophobicContact CG-CD2 3.81Å; L303-F378 HydrophobicContact CD2-CZ 4.23Å
304	F	97.2	Very high	96.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-46.8	176.8	-157	-83.7	0	0	0	111.8	L300 H301 C307 I308 F374 L376 L398 D400	L300-F304 WeakPolarHBondContact O-CB 3.11Å; L300-F304 PolarHBondContact O-N 3.47Å; H301-F304 WeakPolarHBondContact O-CA 3.41Å; H301-F304 WeakPolarHBondContact O-CB 3.41Å; H301-F304 PolarHBondContact O-N 2.82Å; F304-C307 WeakPolarHBondContact O-CB 3.3Å; F304-C307 PolarHBondContact O-N 3.25Å; F304-I308 HydrophobicContact CD1-CD1 3.6Å; F304-I308 HydrophobicContact CD1-CG1 4.26Å; F304-I308 HydrophobicContact CE1-CD1 3.74Å; F304-I308 HydrophobicContact CE1-CG1 4.33Å; F304-I308 WeakPolarHBondContact O-CG1 3.49Å; F304-I308 PolarHBondContact O-N 2.86Å; F304-F374 HydrophobicContact CD1-CD1 4.35Å; F304-F374 HydrophobicContact CD1-CE1 4.07Å; F304-F374 HydrophobicContact CD2-CD1 4.5Å; F304-F374 AromaticContact CD2-CE1 3.91Å; F304-F374 HydrophobicContact CD2-CE1 3.91Å; F304-F374 AromaticContact CE1-CD1 3.71Å; F304-F374 HydrophobicContact CE1-CD1 3.71Å; F304-F374 AromaticContact CE1-CE1 3.88Å; F304-F374 HydrophobicContact CE1-CE1 3.88Å; F304-F374 AromaticContact CE2-CD1 3.86Å; F304-F374 HydrophobicContact CE2-CD1 3.86Å; F304-F374 AromaticContact CE2-CE1 3.68Å; F304-F374 HydrophobicContact CE2-CE1 3.68Å; F304-F374 HydrophobicContact CG-CE1 4.09Å; F304-F374 AromaticContact CZ-CD1 3.41Å; F304-F374 HydrophobicContact CZ-CD1 3.41Å; F304-F374 VanDerWaalsContact CZ-CD1 3.41Å; F304-F374 AromaticContact CZ-CE1 3.66Å; F304-F374 HydrophobicContact CZ-CE1 3.66Å; F304-F374 HydrophobicContact CZ-CG 4.49Å; F304-L376 HydrophobicContact CD2-CB 3.74Å; F304-L376 HydrophobicContact CD2-CD2 4.26Å; F304-L376 HydrophobicContact CE2-CB 3.95Å; F304-L398 HydrophobicContact CD2-CB 3.74Å; F304-L398 HydrophobicContact CE2-CB 3.75Å; F304-L398 WeakPolarHBondContact CE2-O 3.33Å; F304-D400 HydrophobicContact CE1-CB 4.11Å; F304-D400 HydrophobicContact CZ-CB 4.22Å
305	D	96.5	Very high	96.2	Very high	59 Å²	59	40.5 Å²	40.5	32%	0.316	22%	0.224	S	C	.	.	H	α-helix	trans	-60.4	-48.5	175.5	-75.9	-10.9	0	0	0	110.6	H301 C307 I308 E309 R421	H301-D305 IonicContact CE1-OD2 2.7Å; H301-D305 PolarHBondContact CE1-OD2 2.85Å; H301-D305 IonicContact ND1-OD2 3.61Å; H301-D305 IonicContact NE2-OD2 3.17Å; H301-D305 PolarHBondContact O-N 2.72Å; D305-C307 VanDerWaalsContact C-N 3.29Å; D305-C307 PolarHBondContact O-N 3.08Å; D305-I308 PolarHBondContact O-N 2.82Å; D305-I308 VanDerWaalsContact O-N 3.12Å; D305-E309 PolarHBondContact O-N 2.73Å; D305-R421 IonicContact OD1-CZ 2.7Å; D305-R421 IonicContact OD1-NE 3.67Å; D305-R421 IonicContact OD1-NH2 3.6Å; D305-R421 PolarHBondContact OD1-NH2 2.88Å
306	W	97.5	Very high	96.2	Very high	65 Å²	65	43.9 Å²	43.9	25%	0.246	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-38.1	174.8	177.3	85.2	0	0	0	113.1	D302 L303 E309 Q310 A323 I324 K327	D302-W306 WeakPolarHBondContact O-CB 3.48Å; D302-W306 PolarHBondContact O-N 2.9Å; L303-W306 HydrophobicContact CD1-CE3 4.1Å; L303-W306 PolarHBondContact O-N 3.07Å; W306-E309 WeakPolarHBondContact O-CB 3.46Å; W306-E309 PolarHBondContact O-N 2.88Å; W306-Q310 HydrophobicContact CD2-CG 3.91Å; W306-Q310 HydrophobicContact CE3-CG 4.06Å; W306-Q310 HydrophobicContact CH2-CG 3.72Å; W306-Q310 HydrophobicContact CZ2-CG 3.51Å; W306-Q310 HydrophobicContact CZ3-CG 3.97Å; W306-Q310 WeakPolarHBondContact O-CG 3.32Å; W306-Q310 PolarHBondContact O-N 2.89Å; W306-A323 HydrophobicContact CH2-CB 4.1Å; W306-I324 HydrophobicContact CZ3-CG1 4.2Å; W306-K327 HydrophobicContact CD2-CD 3.51Å; W306-K327 HydrophobicContact CE3-CD 3.48Å; W306-K327 VanDerWaalsContact CE3-CD 3.48Å; W306-K327 HydrophobicContact CG-CD 4.22Å; W306-K327 HydrophobicContact CH2-CB 4.35Å; W306-K327 HydrophobicContact CH2-CD 3.72Å; W306-K327 HydrophobicContact CZ2-CD 3.76Å; W306-K327 HydrophobicContact CZ3-CB 4.49Å; W306-K327 HydrophobicContact CZ3-CD 3.6Å
307	C	97.1	Very high	96.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-44	175.6	-71	0	0	0	0	111.5	L303 F304 D305 E309 Q310 I311 F320 F374	L303-C307 WeakPolarHBondContact O-CB 3.46Å; L303-C307 PolarHBondContact O-N 3.41Å; L303-C307 PolarHBondContact O-SG 3.19Å; F304-C307 WeakPolarHBondContact O-CB 3.3Å; F304-C307 PolarHBondContact O-N 3.25Å; D305-C307 VanDerWaalsContact C-N 3.29Å; D305-C307 PolarHBondContact O-N 3.08Å; C307-E309 PolarHBondContact O-N 3.45Å; C307-Q310 PolarHBondContact O-N 3.02Å; C307-I311 WeakPolarHBondContact O-CG1 3.39Å; C307-I311 PolarHBondContact O-N 2.68Å; C307-I311 VanDerWaalsContact O-N 3.1Å; C307-F320 HydrophobicContact CB-CE2 4.24Å; C307-F320 HydrophobicContact CB-CZ 4.18Å; C307-F320 WeakPolarHBondContact O-CE2 3.48Å; C307-F374 HydrophobicContact CB-CE1 3.75Å; C307-F374 HydrophobicContact CB-CE2 4.26Å; C307-F374 HydrophobicContact CB-CZ 3.33Å
308	I	96.5	Very high	96.1	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.087	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-37.4	176	-64.7	161.1	0	0	0	110.5	F304 D305 F374 L402 N412 V414	F304-I308 HydrophobicContact CD1-CD1 3.6Å; F304-I308 HydrophobicContact CD1-CG1 4.26Å; F304-I308 HydrophobicContact CE1-CD1 3.74Å; F304-I308 HydrophobicContact CE1-CG1 4.33Å; F304-I308 WeakPolarHBondContact O-CG1 3.49Å; F304-I308 PolarHBondContact O-N 2.86Å; D305-I308 PolarHBondContact O-N 2.82Å; D305-I308 VanDerWaalsContact O-N 3.12Å; I308-F374 HydrophobicContact CG1-CD1 4.37Å; I308-F374 HydrophobicContact CG1-CE1 4.49Å; I308-L402 HydrophobicContact CG1-CD2 4.16Å; I308-N412 HydrophobicContact CG2-CB 4.18Å; I308-N412 PolarHBondContact O-ND2 2.88Å; I308-V414 HydrophobicContact CD1-CG2 4.1Å; I308-V414 HydrophobicContact CG2-CG2 3.98Å
309	E	95.4	Very high	96	Very high	128 Å²	128	47 Å²	47	60%	0.598	25%	0.25	S	C	*	.	H	α-helix	trans	-67.1	-31	173.6	-66.6	-175	166.4	0	0	113.5	D305 W306 C307 K312	D305-E309 PolarHBondContact O-N 2.73Å; W306-E309 WeakPolarHBondContact O-CB 3.46Å; W306-E309 PolarHBondContact O-N 2.88Å; C307-E309 PolarHBondContact O-N 3.45Å; E309-K312 WeakPolarHBondContact O-CE 3.35Å
310	Q	95.5	Very high	96	Very high	65 Å²	65	45.9 Å²	45.9	30%	0.304	25%	0.245	S	C	.	.	H	α-helix	trans	-80.5	-21.5	178	-61.7	-35.1	-67	0	0	114	W306 C307 K312 F320	W306-Q310 HydrophobicContact CD2-CG 3.91Å; W306-Q310 HydrophobicContact CE3-CG 4.06Å; W306-Q310 HydrophobicContact CH2-CG 3.72Å; W306-Q310 HydrophobicContact CZ2-CG 3.51Å; W306-Q310 HydrophobicContact CZ3-CG 3.97Å; W306-Q310 WeakPolarHBondContact O-CG 3.32Å; W306-Q310 PolarHBondContact O-N 2.89Å; C307-Q310 PolarHBondContact O-N 3.02Å; Q310-K312 PolarHBondContact O-N 3.11Å; Q310-F320 HydrophobicContact CB-CD2 3.97Å; Q310-F320 HydrophobicContact CB-CE2 4.04Å
311	I	96.2	Very high	95.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.245	C	C	.	.			trans	-68.5	99	174.6	-65.2	168.6	0	0	0	108.5	C307 F320 F366 L372 F374 L402 V404 N412	C307-I311 WeakPolarHBondContact O-CG1 3.39Å; C307-I311 PolarHBondContact O-N 2.68Å; C307-I311 VanDerWaalsContact O-N 3.1Å; I311-F320 HydrophobicContact CD1-CE1 4.49Å; I311-F320 HydrophobicContact CD1-CE2 4.34Å; I311-F320 HydrophobicContact CD1-CZ 3.84Å; I311-F320 HydrophobicContact CG1-CD2 4.27Å; I311-F320 HydrophobicContact CG1-CE1 4.21Å; I311-F320 HydrophobicContact CG1-CE2 3.57Å; I311-F320 HydrophobicContact CG1-CZ 3.51Å; I311-F366 HydrophobicContact CB-CE2 4.47Å; I311-F366 HydrophobicContact CG1-CE1 4.45Å; I311-F366 HydrophobicContact CG1-CE2 4.13Å; I311-F366 HydrophobicContact CG1-CZ 3.94Å; I311-F366 HydrophobicContact CG2-CD1 3.92Å; I311-F366 HydrophobicContact CG2-CD2 4.16Å; I311-F366 HydrophobicContact CG2-CE1 4.02Å; I311-F366 HydrophobicContact CG2-CE2 4.26Å; I311-F366 HydrophobicContact CG2-CG 3.98Å; I311-F366 HydrophobicContact CG2-CZ 4.19Å; I311-L372 HydrophobicContact CD1-CD1 4.16Å; I311-L372 HydrophobicContact CG2-CD1 3.92Å; I311-F374 HydrophobicContact CD1-CD2 4.07Å; I311-F374 HydrophobicContact CD1-CE2 4.45Å; I311-F374 HydrophobicContact CD1-CG 4.2Å; I311-L402 HydrophobicContact CD1-CD2 4.4Å; I311-V404 HydrophobicContact CG2-CG1 4.14Å; I311-V404 HydrophobicContact CG2-CG2 3.67Å; I311-N412 PolarHBondContact O-ND2 2.95Å
312	K	94.2	Very high	95.8	Very high	117 Å²	117	49.9 Å²	49.9	51%	0.509	26%	0.264	S	S	.	.			trans	-131.2	145.1	-179.6	-59.6	-174.6	-169.7	-175	0	111.3	E309 Q310 G314 V315	E309-K312 WeakPolarHBondContact O-CE 3.35Å; Q310-K312 PolarHBondContact O-N 3.11Å; K312-G314 PolarHBondContact O-N 3.47Å; K312-V315 HydrophobicContact CB-CG2 4.03Å; K312-V315 WeakPolarHBondContact O-CB 3.22Å; K312-V315 WeakPolarHBondContact O-CG2 3.45Å; K312-V315 PolarHBondContact O-N 2.99Å; K312-V315 VanDerWaalsContact O-N 3.08Å
313	P	94.6	Very high	95.7	Very high	68 Å²	68	47.5 Å²	47.5	44%	0.442	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	129.8	173.4	-28	35.1	0	0	0	112.5	F366 R368 V404	P313-F366 CarbonylContact C-O 3.06Å; P313-F366 WeakPolarHBondContact CA-O 3.36Å; P313-R368 HydrophobicContact CG-CB 4.31Å; P313-V404 HydrophobicContact CG-CG1 4.11Å
314	G	93.7	Very high	95.7	Very high	59 Å²	59	47.5 Å²	47.5	61%	0.608	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	-16.3	-178	0	0	0	0	0	115.6	K312 F366	K312-G314 PolarHBondContact O-N 3.47Å; G314-F366 PolarHBondContact N-O 2.87Å
315	V	95.2	Very high	95.6	Very high	49 Å²	49	48.7 Å²	48.7	30%	0.297	27%	0.267	S	S	.	.			trans	-72.1	133.6	175.5	176.7	0	0	0	0	109.9	K312 F320 T365 F366	K312-V315 HydrophobicContact CB-CG2 4.03Å; K312-V315 WeakPolarHBondContact O-CB 3.22Å; K312-V315 WeakPolarHBondContact O-CG2 3.45Å; K312-V315 PolarHBondContact O-N 2.99Å; K312-V315 VanDerWaalsContact O-N 3.08Å; V315-F320 HydrophobicContact CG1-CB 4.16Å; V315-T365 CarbonylContact O-C 3.39Å; V315-T365 VanDerWaalsContact O-CA 3.31Å; V315-T365 WeakPolarHBondContact O-CA 3.37Å; V315-F366 HydrophobicContact CB-CD2 4.17Å; V315-F366 HydrophobicContact CG1-CD2 4.4Å; V315-F366 WeakPolarHBondContact O-CD2 3.18Å; V315-F366 PolarHBondContact O-N 2.9Å
316	K	95.8	Very high	95.6	Very high	109 Å²	109	49.9 Å²	49.9	47%	0.474	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-73	140.5	174.7	-65.1	-177.6	-172.6	168.3	0	111	A318 D319 F320 T365	K316-A318 PolarHBondContact O-N 3.45Å; K316-D319 HydrophobicContact CB-CB 4.18Å; K316-D319 WeakPolarHBondContact CD-OD2 3.37Å; K316-D319 PolarHBondContact O-N 3.31Å; K316-F320 PolarHBondContact O-N 3.34Å; K316-T365 HydrophobicContact CB-CG2 4.44Å; K316-T365 HydrophobicContact CG-CG2 3.77Å
317	I	95.2	Very high	95.6	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-41.2	-179.6	-66.3	167.7	0	0	0	110.9	F320 C321 L358 S364 F366	I317-F320 PolarHBondContact O-N 2.92Å; I317-C321 WeakPolarHBondContact O-CB 3.37Å; I317-C321 PolarHBondContact O-N 3.49Å; I317-C321 PolarHBondContact O-SG 3.37Å; I317-L358 HydrophobicContact CD1-CD2 3.94Å; I317-L358 HydrophobicContact CG1-CD2 4.11Å; I317-L358 HydrophobicContact CG2-CB 4.4Å; I317-L358 HydrophobicContact CG2-CD2 3.83Å; I317-S364 WeakPolarHBondContact CG1-O 3.34Å; I317-S364 PolarHBondContact N-O 3.05Å; I317-F366 HydrophobicContact CD1-CE1 4.47Å; I317-F366 HydrophobicContact CG1-CD1 4.21Å; I317-F366 HydrophobicContact CG1-CD2 4.45Å; I317-F366 HydrophobicContact CG1-CE1 3.94Å; I317-F366 HydrophobicContact CG1-CE2 4.2Å; I317-F366 HydrophobicContact CG1-CG 4.47Å; I317-F366 HydrophobicContact CG1-CZ 3.95Å
318	A	94.8	Very high	95.5	Very high	25 Å²	25	48.8 Å²	48.8	21%	0.207	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-45.5	175	0	0	0	0	0	113.3	K316 F320 C321 Q322 S362	K316-A318 PolarHBondContact O-N 3.45Å; A318-F320 PolarHBondContact O-N 3.35Å; A318-C321 WeakPolarHBondContact O-CB 3.18Å; A318-C321 PolarHBondContact O-N 3.42Å; A318-Q322 PolarHBondContact O-N 2.9Å; A318-S362 WeakPolarHBondContact CB-O 3.25Å; A318-S362 PolarHBondContact N-O 3.28Å
319	D	95.6	Very high	95.5	Very high	95 Å²	95	51 Å²	51	51%	0.508	29%	0.287	S	S	.	.	H	α-helix	trans	-64.2	-41.7	-179.9	-60.6	-13.2	0	0	0	111	K316 Q322 A323	K316-D319 HydrophobicContact CB-CB 4.18Å; K316-D319 WeakPolarHBondContact CD-OD2 3.37Å; K316-D319 PolarHBondContact O-N 3.31Å; D319-Q322 PolarHBondContact O-N 3.35Å; D319-A323 WeakPolarHBondContact O-CB 3.2Å; D319-A323 PolarHBondContact O-N 3.06Å
320	F	96.1	Very high	95.5	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-47.5	171.8	166.3	-104.1	0	0	0	112.2	C307 Q310 I311 V315 K316 I317 A318 Q322 A323 I324 F366 F374	C307-F320 HydrophobicContact CB-CE2 4.24Å; C307-F320 HydrophobicContact CB-CZ 4.18Å; C307-F320 WeakPolarHBondContact O-CE2 3.48Å; Q310-F320 HydrophobicContact CB-CD2 3.97Å; Q310-F320 HydrophobicContact CB-CE2 4.04Å; I311-F320 HydrophobicContact CD1-CE1 4.49Å; I311-F320 HydrophobicContact CD1-CE2 4.34Å; I311-F320 HydrophobicContact CD1-CZ 3.84Å; I311-F320 HydrophobicContact CG1-CD2 4.27Å; I311-F320 HydrophobicContact CG1-CE1 4.21Å; I311-F320 HydrophobicContact CG1-CE2 3.57Å; I311-F320 HydrophobicContact CG1-CZ 3.51Å; V315-F320 HydrophobicContact CG1-CB 4.16Å; K316-F320 PolarHBondContact O-N 3.34Å; I317-F320 PolarHBondContact O-N 2.92Å; A318-F320 PolarHBondContact O-N 3.35Å; F320-Q322 VanDerWaalsContact C-N 3.3Å; F320-Q322 PolarHBondContact O-N 3.18Å; F320-A323 WeakPolarHBondContact O-CB 3.41Å; F320-A323 PolarHBondContact O-N 3.08Å; F320-A323 VanDerWaalsContact O-N 3.14Å; F320-I324 HydrophobicContact CD1-CD1 4.33Å; F320-I324 HydrophobicContact CE1-CD1 3.79Å; F320-I324 HydrophobicContact CE2-CD1 4.14Å; F320-I324 HydrophobicContact CZ-CD1 3.69Å; F320-I324 WeakPolarHBondContact O-CG1 3.07Å; F320-I324 PolarHBondContact O-N 3.02Å; F320-I324 VanDerWaalsContact O-N 3.15Å; F320-F366 HydrophobicContact CB-CE2 3.91Å; F320-F366 AromaticContact CD1-CE2 3.85Å; F320-F366 HydrophobicContact CD1-CE2 3.85Å; F320-F366 AromaticContact CD1-CZ 3.72Å; F320-F366 HydrophobicContact CD1-CZ 3.72Å; F320-F366 HydrophobicContact CD2-CE2 4.31Å; F320-F366 HydrophobicContact CE1-CE2 4.42Å; F320-F366 AromaticContact CE1-CZ 3.98Å; F320-F366 HydrophobicContact CE1-CZ 3.98Å; F320-F366 AromaticContact CG-CE2 3.77Å; F320-F366 HydrophobicContact CG-CE2 3.77Å; F320-F366 HydrophobicContact CG-CZ 4.13Å; F320-F374 HydrophobicContact CE1-CE2 4.03Å; F320-F374 HydrophobicContact CZ-CD2 4.43Å; F320-F374 AromaticContact CZ-CE2 3.73Å; F320-F374 HydrophobicContact CZ-CE2 3.73Å; F320-F374 HydrophobicContact CZ-CZ 4.28Å
321	C	95.5	Very high	95.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-40	177.4	-66.1	0	0	0	0	112.1	I317 A318 I324 A325 Y343 P360	I317-C321 WeakPolarHBondContact O-CB 3.37Å; I317-C321 PolarHBondContact O-N 3.49Å; I317-C321 PolarHBondContact O-SG 3.37Å; A318-C321 WeakPolarHBondContact O-CB 3.18Å; A318-C321 PolarHBondContact O-N 3.42Å; C321-I324 PolarHBondContact O-N 3.01Å; C321-A325 PolarHBondContact O-N 3.08Å; C321-Y343 HydrophobicContact CB-CD2 4.07Å; C321-Y343 HydrophobicContact CB-CE2 3.81Å; C321-P360 HydrophobicContact CB-CB 4.4Å; C321-P360 HydrophobicContact CB-CG 3.87Å
322	Q	94.7	Very high	95.5	Very high	99 Å²	99	56.4 Å²	56.4	46%	0.463	32%	0.316	S	S	.	.	H	α-helix	trans	-69.3	-34.8	176.5	-169.1	61.8	51.4	0	0	112	A318 D319 F320 A325 N326	A318-Q322 PolarHBondContact O-N 2.9Å; D319-Q322 PolarHBondContact O-N 3.35Å; F320-Q322 VanDerWaalsContact C-N 3.3Å; F320-Q322 PolarHBondContact O-N 3.18Å; Q322-A325 PolarHBondContact O-N 3.36Å; Q322-N326 PolarHBondContact NE2-OD1 3.09Å; Q322-N326 WeakPolarHBondContact O-CB 3.32Å; Q322-N326 PolarHBondContact O-N 2.95Å; Q322-N326 PolarHBondContact O-OD1 2.88Å
323	A	95.9	Very high	95.5	Very high	37 Å²	37	55 Å²	55	31%	0.306	32%	0.318	S	S	.	.	H	α-helix	trans	-62.9	-40.4	175.9	0	0	0	0	0	112.2	W306 D319 F320 K327	W306-A323 HydrophobicContact CH2-CB 4.1Å; D319-A323 WeakPolarHBondContact O-CB 3.2Å; D319-A323 PolarHBondContact O-N 3.06Å; F320-A323 WeakPolarHBondContact O-CB 3.41Å; F320-A323 PolarHBondContact O-N 3.08Å; F320-A323 VanDerWaalsContact O-N 3.14Å; A323-K327 WeakPolarHBondContact O-CB 3.38Å; A323-K327 PolarHBondContact O-N 3.17Å
324	I	96.5	Very high	95.3	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.1	-52.1	173.1	-58.2	172.3	0	0	0	110.4	W306 F320 C321 N326 K327 V328 L339 Y343 L376	W306-I324 HydrophobicContact CZ3-CG1 4.2Å; F320-I324 HydrophobicContact CD1-CD1 4.33Å; F320-I324 HydrophobicContact CE1-CD1 3.79Å; F320-I324 HydrophobicContact CE2-CD1 4.14Å; F320-I324 HydrophobicContact CZ-CD1 3.69Å; F320-I324 WeakPolarHBondContact O-CG1 3.07Å; F320-I324 PolarHBondContact O-N 3.02Å; F320-I324 VanDerWaalsContact O-N 3.15Å; C321-I324 PolarHBondContact O-N 3.01Å; I324-N326 VanDerWaalsContact C-N 3.31Å; I324-N326 PolarHBondContact O-N 3Å; I324-K327 PolarHBondContact O-N 2.97Å; I324-V328 WeakPolarHBondContact O-CG2 3.33Å; I324-V328 PolarHBondContact O-N 2.89Å; I324-L339 HydrophobicContact CG2-CD2 4.34Å; I324-Y343 HydrophobicContact CB-CE2 4.3Å; I324-Y343 HydrophobicContact CD1-CD1 4.17Å; I324-Y343 HydrophobicContact CD1-CD2 3.74Å; I324-Y343 HydrophobicContact CD1-CE1 4.29Å; I324-Y343 HydrophobicContact CD1-CE2 3.87Å; I324-Y343 HydrophobicContact CD1-CG 3.9Å; I324-Y343 HydrophobicContact CG2-CE1 4Å; I324-L376 HydrophobicContact CG2-CD1 4.11Å
325	A	95.2	Very high	95.3	Very high	26 Å²	26	57.6 Å²	57.6	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-59.5	-41	-179.2	0	0	0	0	0	112.3	C321 Q322 S329	C321-A325 PolarHBondContact O-N 3.08Å; Q322-A325 PolarHBondContact O-N 3.36Å; A325-S329 VanDerWaalsContact O-CB 3.29Å; A325-S329 WeakPolarHBondContact O-CB 3.28Å; A325-S329 PolarHBondContact O-N 3.02Å; A325-S329 PolarHBondContact O-OG 3.08Å
326	N	96.2	Very high	95.3	Very high	84 Å²	84	57 Å²	57	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-44.7	175.6	-70.3	-5.2	0	0	0	111.8	Q322 I324 S329 T330	Q322-N326 PolarHBondContact NE2-OD1 3.09Å; Q322-N326 WeakPolarHBondContact O-CB 3.32Å; Q322-N326 PolarHBondContact O-N 2.95Å; Q322-N326 PolarHBondContact O-OD1 2.88Å; I324-N326 VanDerWaalsContact C-N 3.31Å; I324-N326 PolarHBondContact O-N 3Å; N326-S329 PolarHBondContact O-N 3.04Å; N326-T330 WeakPolarHBondContact O-CB 3.23Å; N326-T330 PolarHBondContact O-N 3.27Å; N326-T330 PolarHBondContact O-OG1 3.47Å
327	K	97	Very high	95.2	Very high	42 Å²	42	59.7 Å²	59.7	18%	0.183	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-50.1	179.7	179.4	170.9	165.4	63	0	111.4	L303 W306 A323 I324 S329 T330 E331	L303-K327 HydrophobicContact CD1-CD 3.59Å; L303-K327 VanDerWaalsContact CD1-CE 3.46Å; L303-K327 HydrophobicContact CD1-CG 4.02Å; W306-K327 HydrophobicContact CD2-CD 3.51Å; W306-K327 HydrophobicContact CE3-CD 3.48Å; W306-K327 VanDerWaalsContact CE3-CD 3.48Å; W306-K327 HydrophobicContact CG-CD 4.22Å; W306-K327 HydrophobicContact CH2-CB 4.35Å; W306-K327 HydrophobicContact CH2-CD 3.72Å; W306-K327 HydrophobicContact CZ2-CD 3.76Å; W306-K327 HydrophobicContact CZ3-CB 4.49Å; W306-K327 HydrophobicContact CZ3-CD 3.6Å; A323-K327 WeakPolarHBondContact O-CB 3.38Å; A323-K327 PolarHBondContact O-N 3.17Å; I324-K327 PolarHBondContact O-N 2.97Å; K327-S329 PolarHBondContact O-N 3.01Å; K327-T330 PolarHBondContact O-N 3.42Å; K327-T330 VanDerWaalsContact O-N 3.13Å; K327-E331 WeakPolarHBondContact CE-OE2 3.28Å; K327-E331 HydrophobicContact CG-CG 4.47Å; K327-E331 WeakPolarHBondContact CG-OE2 3.39Å; K327-E331 IonicContact NZ-OE1 3.18Å; K327-E331 PolarHBondContact NZ-OE1 3.48Å; K327-E331 IonicContact NZ-OE2 2.69Å; K327-E331 PolarHBondContact NZ-OE2 2.83Å; K327-E331 WeakPolarHBondContact O-CB 3.21Å; K327-E331 WeakPolarHBondContact O-CG 3.32Å; K327-E331 PolarHBondContact O-N 3.26Å
328	V	96.7	Very high	95.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-45.1	176.1	177.6	0	0	0	0	111.5	Y299 L303 I324 T330 E331 R332 L335 A336 L339 F378	Y299-V328 HydrophobicContact CE1-CG2 4.28Å; L303-V328 HydrophobicContact CD1-CG2 4.37Å; L303-V328 HydrophobicContact CD2-CG2 3.43Å; L303-V328 VanDerWaalsContact CD2-CG2 3.43Å; I324-V328 WeakPolarHBondContact O-CG2 3.33Å; I324-V328 PolarHBondContact O-N 2.89Å; V328-T330 PolarHBondContact O-N 2.96Å; V328-E331 PolarHBondContact O-N 3.2Å; V328-R332 CarbonylContact O-C 3.47Å; V328-R332 WeakPolarHBondContact O-CA 3.42Å; V328-R332 PolarHBondContact O-N 3.46Å; V328-L335 HydrophobicContact CG1-CB 4.22Å; V328-A336 HydrophobicContact CG1-CB 4.31Å; V328-L339 HydrophobicContact CB-CD2 4.08Å; V328-L339 HydrophobicContact CG1-CD2 4.35Å; V328-L339 HydrophobicContact CG2-CD1 4.3Å; V328-L339 HydrophobicContact CG2-CD2 3.92Å; V328-F378 HydrophobicContact CG1-CE1 4.07Å; V328-F378 HydrophobicContact CG1-CZ 4.42Å; V328-F378 HydrophobicContact CG2-CZ 4.44Å
329	S	95.5	Very high	95.3	Very high	62 Å²	62	60 Å²	60	43%	0.434	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-25.4	178.5	-56.7	0	0	0	0	113.3	A325 N326 K327	A325-S329 VanDerWaalsContact O-CB 3.29Å; A325-S329 WeakPolarHBondContact O-CB 3.28Å; A325-S329 PolarHBondContact O-N 3.02Å; A325-S329 PolarHBondContact O-OG 3.08Å; N326-S329 PolarHBondContact O-N 3.04Å; K327-S329 PolarHBondContact O-N 3.01Å
330	T	96.3	Very high	95.2	Very high	115 Å²	115	56.3 Å²	56.3	71%	0.706	30%	0.299	S	S	*	.	H	α-helix	trans	-87.9	-43.8	179.7	-53.6	0	0	0	0	112	N326 K327 V328	N326-T330 WeakPolarHBondContact O-CB 3.23Å; N326-T330 PolarHBondContact O-N 3.27Å; N326-T330 PolarHBondContact O-OG1 3.47Å; K327-T330 PolarHBondContact O-N 3.42Å; K327-T330 VanDerWaalsContact O-N 3.13Å; V328-T330 PolarHBondContact O-N 2.96Å
331	E	96.2	Very high	94.9	Very high	90 Å²	90	66.3 Å²	66.3	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-91.9	-34.4	-170.9	-65.3	172.3	166.6	0	0	113.3	Y299 K327 V328	Y299-E331 HydrophobicContact CE2-CB 4.06Å; Y299-E331 VanDerWaalsContact CE2-OE2 3.32Å; Y299-E331 WeakPolarHBondContact CE2-OE2 3.39Å; Y299-E331 PolarHBondContact OH-OE2 2.83Å; K327-E331 WeakPolarHBondContact CE-OE2 3.28Å; K327-E331 HydrophobicContact CG-CG 4.47Å; K327-E331 WeakPolarHBondContact CG-OE2 3.39Å; K327-E331 IonicContact NZ-OE1 3.18Å; K327-E331 PolarHBondContact NZ-OE1 3.48Å; K327-E331 IonicContact NZ-OE2 2.69Å; K327-E331 PolarHBondContact NZ-OE2 2.83Å; K327-E331 WeakPolarHBondContact O-CB 3.21Å; K327-E331 WeakPolarHBondContact O-CG 3.32Å; K327-E331 PolarHBondContact O-N 3.26Å; V328-E331 PolarHBondContact O-N 3.2Å
332	R	94.4	Very high	94.7	Very high	102 Å²	102	68.9 Å²	68.9	39%	0.385	35%	0.351	S	S	.	.			trans	-142	65.2	-178.2	-69	-65.5	-176.9	133.8	-4.6	110	Y299 V328 K334 L335	Y299-R332 HydrophobicContact CD1-CB 4.25Å; Y299-R332 HydrophobicContact CD1-CG 3.75Å; Y299-R332 HydrophobicContact CD2-CG 3.94Å; Y299-R332 HydrophobicContact CE1-CB 3.91Å; Y299-R332 HydrophobicContact CE1-CG 3.73Å; Y299-R332 HydrophobicContact CE2-CG 3.93Å; Y299-R332 HydrophobicContact CG-CG 3.87Å; V328-R332 CarbonylContact O-C 3.47Å; V328-R332 WeakPolarHBondContact O-CA 3.42Å; V328-R332 PolarHBondContact O-N 3.46Å; R332-K334 PolarHBondContact O-N 2.99Å; R332-L335 HydrophobicContact CB-CB 4.27Å; R332-L335 HydrophobicContact CB-CD1 3.85Å; R332-L335 HydrophobicContact CB-CG 4.08Å; R332-L335 HydrophobicContact CG-CD1 4.16Å; R332-L335 PolarHBondContact O-N 3.19Å
333	P	93.9	Very high	94.7	Very high	87 Å²	87	64.4 Å²	64.4	57%	0.565	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-54	-31.5	-175.3	17.5	-31.3	0	0	0	114.3	L335 A336	P333-L335 PolarHBondContact O-N 3.48Å; P333-A336 WeakPolarHBondContact O-CB 3.26Å; P333-A336 PolarHBondContact O-N 3.07Å
334	K	92	Very high	94.7	Very high	173 Å²	173	62.7 Å²	62.7	75%	0.752	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-57.8	-32.3	173.2	-69.5	-170.9	177.3	-174.2	0	113.8	R332 N338	R332-K334 PolarHBondContact O-N 2.99Å; K334-N338 PolarHBondContact O-OD1 2.86Å
335	L	93.9	Very high	94.7	Very high	10 Å²	10	62.8 Å²	62.8	5%	0.052	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-88.4	-5	-177.5	-57.8	179.9	0	0	0	113.2	Y299 V328 R332 P333 E337 N338 L339 F378 L381	Y299-L335 HydrophobicContact CD1-CD1 3.9Å; Y299-L335 HydrophobicContact CE1-CD1 4.46Å; V328-L335 HydrophobicContact CG1-CB 4.22Å; R332-L335 HydrophobicContact CB-CB 4.27Å; R332-L335 HydrophobicContact CB-CD1 3.85Å; R332-L335 HydrophobicContact CB-CG 4.08Å; R332-L335 HydrophobicContact CG-CD1 4.16Å; R332-L335 PolarHBondContact O-N 3.19Å; P333-L335 PolarHBondContact O-N 3.48Å; L335-E337 VanDerWaalsContact C-N 3.3Å; L335-E337 PolarHBondContact O-N 3.47Å; L335-N338 PolarHBondContact O-N 2.85Å; L335-L339 PolarHBondContact O-N 2.76Å; L335-L339 VanDerWaalsContact O-N 3.13Å; L335-F378 HydrophobicContact CB-CD1 3.98Å; L335-F378 HydrophobicContact CB-CE1 3.67Å; L335-F378 HydrophobicContact CB-CZ 4.19Å; L335-F378 HydrophobicContact CD1-CE1 4.37Å; L335-F378 HydrophobicContact CD1-CE2 4.22Å; L335-F378 HydrophobicContact CD1-CZ 4.1Å; L335-L381 HydrophobicContact CD2-CD2 3.62Å
336	A	93.9	Very high	94.7	Very high	36 Å²	36	61.8 Å²	61.8	30%	0.298	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-28.1	-173.9	0	0	0	0	0	113.2	V328 P333	V328-A336 HydrophobicContact CG1-CB 4.31Å; P333-A336 WeakPolarHBondContact O-CB 3.26Å; P333-A336 PolarHBondContact O-N 3.07Å
337	E	94.5	Very high	94.7	Very high	166 Å²	166	57.9 Å²	57.9	78%	0.776	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-26.2	173.5	62.1	-179	-171.2	0	0	113.4	L335 L339	L335-E337 VanDerWaalsContact C-N 3.3Å; L335-E337 PolarHBondContact O-N 3.47Å; E337-L339 VanDerWaalsContact C-N 3.33Å
338	N	95.5	Very high	94.6	Very high	20 Å²	20	56 Å²	56	11%	0.107	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-22.3	174.8	-56.7	105.2	0	0	0	112.9	K334 L335 L340 F378 Q379 N380 L381	K334-N338 PolarHBondContact O-OD1 2.86Å; L335-N338 PolarHBondContact O-N 2.85Å; N338-L340 PolarHBondContact O-N 3.06Å; N338-F378 HydrophobicContact CB-CB 4.09Å; N338-F378 HydrophobicContact CB-CD1 4.07Å; N338-F378 CarbonylContact O-C 3.6Å; N338-F378 WeakPolarHBondContact O-CA 3.46Å; N338-Q379 WeakPolarHBondContact CA-O 3.37Å; N338-Q379 VanDerWaalsContact CB-O 3.25Å; N338-Q379 WeakPolarHBondContact CB-O 3.39Å; N338-Q379 PolarHBondContact ND2-O 3.23Å; N338-Q379 VanDerWaalsContact O-CG 3.31Å; N338-Q379 WeakPolarHBondContact O-CG 3.46Å; N338-Q379 PolarHBondContact O-N 3.27Å; N338-N380 PolarHBondContact ND2-O 3.09Å; N338-L381 HydrophobicContact CB-CD2 3.87Å
339	L	96	Very high	94.5	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.063	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-63.4	129.6	-173.6	-176.6	65.1	0	0	0	112.7	I324 V328 L335 E337 Y343 L376 F378	I324-L339 HydrophobicContact CG2-CD2 4.34Å; V328-L339 HydrophobicContact CB-CD2 4.08Å; V328-L339 HydrophobicContact CG1-CD2 4.35Å; V328-L339 HydrophobicContact CG2-CD1 4.3Å; V328-L339 HydrophobicContact CG2-CD2 3.92Å; L335-L339 PolarHBondContact O-N 2.76Å; L335-L339 VanDerWaalsContact O-N 3.13Å; E337-L339 VanDerWaalsContact C-N 3.33Å; L339-Y343 HydrophobicContact CD1-CE1 4.22Å; L339-Y343 WeakPolarHBondContact CD2-OH 3.43Å; L339-Y343 HydrophobicContact CG-CE1 4.35Å; L339-L376 HydrophobicContact CD1-CD1 3.87Å; L339-F378 HydrophobicContact CB-CD1 4.21Å; L339-F378 HydrophobicContact CB-CE1 4.04Å; L339-F378 HydrophobicContact CD1-CD1 4.25Å; L339-F378 HydrophobicContact CD1-CE1 3.72Å; L339-F378 HydrophobicContact CD1-CZ 4.27Å; L339-F378 HydrophobicContact CG-CE1 4.45Å
340	L	93.6	Very high	94.4	Very high	17 Å²	17	54.4 Å²	54.4	9%	0.089	26%	0.264	C	S	.	.			trans	-60.8	138.5	170.9	-67.4	179.6	0	0	0	111.6	L250 N338 Y343 G377 Q379	L250-L340 HydrophobicContact CB-CD1 3.86Å; L250-L340 HydrophobicContact CB-CD2 4.08Å; L250-L340 HydrophobicContact CD1-CD1 3.81Å; L250-L340 HydrophobicContact CD1-CD2 4.17Å; L250-L340 HydrophobicContact CD1-CG 4.16Å; L250-L340 HydrophobicContact CG-CD1 4.5Å; N338-L340 PolarHBondContact O-N 3.06Å; L340-Y343 WeakPolarHBondContact O-CE1 3.25Å; L340-Y343 PolarHBondContact O-OH 3.15Å; L340-G377 PolarHBondContact N-O 3.04Å; L340-Q379 HydrophobicContact CD2-CG 4.16Å
341	R	89.6	Confident	94.3	Very high	215 Å²	215	49.5 Å²	49.5	81%	0.811	23%	0.233	S	C	*	.	S	Bend	trans	-95.1	9.2	-178.7	-59.8	-175.3	-177.9	-177.2	0	114.4	P360	R341-P360 WeakPolarHBondContact O-CD 3.3Å
342	N	91.5	Very high	94.2	Very high	54 Å²	54	50.6 Å²	50.6	29%	0.289	23%	0.234	S	C	.	.			trans	-139.6	123.6	175.7	-179.8	20	0	0	0	106.8	G344 L358	N342-G344 PolarHBondContact OD1-O 3.37Å; N342-G344 VanDerWaalsContact OD1-O 3.1Å; N342-L358 PolarHBondContact OD1-O 2.89Å
343	Y	95.7	Very high	94.1	Very high	5 Å²	5	46 Å²	46	2%	0.02	22%	0.217	C	C	.	.			trans	-104.5	19.9	-170.7	-52.7	-63.1	0	0	0	113	C321 I324 L339 L340 L358 F374 N375 L376	C321-Y343 HydrophobicContact CB-CD2 4.07Å; C321-Y343 HydrophobicContact CB-CE2 3.81Å; I324-Y343 HydrophobicContact CB-CE2 4.3Å; I324-Y343 HydrophobicContact CD1-CD1 4.17Å; I324-Y343 HydrophobicContact CD1-CD2 3.74Å; I324-Y343 HydrophobicContact CD1-CE1 4.29Å; I324-Y343 HydrophobicContact CD1-CE2 3.87Å; I324-Y343 HydrophobicContact CD1-CG 3.9Å; I324-Y343 HydrophobicContact CG2-CE1 4Å; L339-Y343 HydrophobicContact CD1-CE1 4.22Å; L339-Y343 WeakPolarHBondContact CD2-OH 3.43Å; L339-Y343 HydrophobicContact CG-CE1 4.35Å; L340-Y343 WeakPolarHBondContact O-CE1 3.25Å; L340-Y343 PolarHBondContact O-OH 3.15Å; Y343-L358 PolarHBondContact N-O 2.82Å; Y343-F374 WeakPolarHBondContact O-CD2 3.32Å; Y343-N375 CarbonylContact C-O 3.51Å; Y343-N375 WeakPolarHBondContact CA-O 3.13Å; Y343-N375 PolarHBondContact O-N 3.27Å; Y343-L376 HydrophobicContact CD1-CD1 3.4Å; Y343-L376 HydrophobicContact CE1-CD1 3.46Å; Y343-L376 VanDerWaalsContact CE1-CD1 3.46Å
344	G	94.9	Very high	93.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.4	-151	179.5	0	0	0	0	0	114	N342 L358 N373 N375	N342-G344 PolarHBondContact OD1-O 3.37Å; N342-G344 VanDerWaalsContact OD1-O 3.1Å; G344-L358 PolarHBondContact O-N 3.44Å; G344-N373 VanDerWaalsContact CA-O 3.22Å; G344-N373 WeakPolarHBondContact CA-O 3.44Å; G344-N375 VanDerWaalsContact CA-ND2 3.27Å; G344-N375 WeakPolarHBondContact CA-ND2 3.23Å
345	F	96.4	Very high	93.8	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.013	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	164.6	-171.2	35.6	-100.4	0	0	0	112	F252 F351 R352 L356 L357 L372 N373	F252-F345 AromaticContact CD2-CE1 3.69Å; F252-F345 HydrophobicContact CD2-CE1 3.69Å; F252-F345 AromaticContact CD2-CZ 3.65Å; F252-F345 HydrophobicContact CD2-CZ 3.65Å; F252-F345 AromaticContact CE2-CE1 3.47Å; F252-F345 HydrophobicContact CE2-CE1 3.47Å; F252-F345 VanDerWaalsContact CE2-CE1 3.47Å; F252-F345 AromaticContact CE2-CZ 3.45Å; F252-F345 HydrophobicContact CE2-CZ 3.45Å; F252-F345 VanDerWaalsContact CE2-CZ 3.45Å; F252-F345 HydrophobicContact CG-CZ 4.48Å; F252-F345 HydrophobicContact CZ-CE1 4.47Å; F252-F345 HydrophobicContact CZ-CZ 4.12Å; F345-F351 WeakPolarHBondContact CD2-O 3.5Å; F345-F351 HydrophobicContact CE2-CD1 4.37Å; F345-F351 HydrophobicContact CE2-CE1 4.13Å; F345-F351 HydrophobicContact CE2-CZ 4.38Å; F345-F351 WeakPolarHBondContact CE2-O 3.31Å; F345-F351 HydrophobicContact CZ-CD1 4.37Å; F345-F351 AromaticContact CZ-CE1 3.78Å; F345-F351 HydrophobicContact CZ-CE1 3.78Å; F345-F351 HydrophobicContact CZ-CZ 4.13Å; F345-R352 HydrophobicContact CB-CG 4.29Å; F345-R352 HydrophobicContact CD1-CB 4.34Å; F345-R352 HydrophobicContact CD1-CG 3.65Å; F345-R352 HydrophobicContact CD2-CB 3.77Å; F345-R352 HydrophobicContact CD2-CG 3.85Å; F345-R352 HydrophobicContact CE1-CB 4.23Å; F345-R352 HydrophobicContact CE1-CG 3.85Å; F345-R352 HydrophobicContact CE2-CB 3.63Å; F345-R352 HydrophobicContact CE2-CG 4.02Å; F345-R352 HydrophobicContact CG-CB 4.12Å; F345-R352 HydrophobicContact CG-CG 3.65Å; F345-R352 HydrophobicContact CZ-CB 3.88Å; F345-R352 HydrophobicContact CZ-CG 4.03Å; F345-L356 WeakPolarHBondContact CA-O 3.36Å; F345-L357 HydrophobicContact CB-CD2 3.94Å; F345-L357 HydrophobicContact CD1-CD2 4.42Å; F345-L372 WeakPolarHBondContact O-CA 3.43Å; F345-N373 HydrophobicContact CD2-CB 3.89Å; F345-N373 HydrophobicContact CE2-CB 3.61Å; F345-N373 VanDerWaalsContact CE2-ND2 3.28Å; F345-N373 WeakPolarHBondContact CE2-ND2 3.4Å; F345-N373 HydrophobicContact CZ-CB 4.4Å; F345-N373 PolarHBondContact N-O 3.47Å; F345-N373 VanDerWaalsContact N-O 3.16Å; F345-N373 PolarHBondContact O-N 3.02Å
346	V	96.1	Very high	93.7	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	136.7	163.9	172.8	0	0	0	0	109.8	A168 D353 L356 T371 L372	A168-V346 HydrophobicContact CB-CG1 3.96Å; A168-V346 HydrophobicContact CB-CG2 4.47Å; V346-D353 HydrophobicContact CB-CB 4.11Å; V346-D353 HydrophobicContact CG1-CB 4.47Å; V346-D353 PolarHBondContact O-N 3.48Å; V346-L356 HydrophobicContact CB-CB 3.89Å; V346-L356 HydrophobicContact CB-CD1 4.41Å; V346-L356 HydrophobicContact CG2-CB 3.59Å; V346-L356 HydrophobicContact CG2-CD1 4.02Å; V346-L356 HydrophobicContact CG2-CG 4.45Å; V346-L356 PolarHBondContact N-O 3.18Å; V346-T371 WeakPolarHBondContact CA-O 3.46Å; V346-L372 HydrophobicContact CG2-CD2 3.79Å
347	T	96.1	Very high	93.7	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	18%	0.176	C	C	.	.			trans	-120.3	168.6	175	-175.2	0	0	0	0	110.2	K170 L178 C278 E350 F351 T371 N373 V401	K170-T347 PolarHBondContact NZ-O 3.29Å; L178-T347 HydrophobicContact CD1-CG2 4.25Å; C278-T347 PolarHBondContact O-OG1 2.57Å; T347-E350 PolarHBondContact OG1-O 2.83Å; T347-F351 PolarHBondContact OG1-O 3.05Å; T347-T371 PolarHBondContact N-O 2.66Å; T347-T371 PolarHBondContact O-OG1 3.18Å; T347-N373 HydrophobicContact CG2-CB 4.27Å; T347-V401 HydrophobicContact CG2-CG1 4.1Å
348	G	94.5	Very high	93.8	Very high	3 Å²	3	30 Å²	30	3%	0.031	14%	0.139	C	C	.	.	S	Bend	trans	170.1	-121.8	178.9	0	0	0	0	0	110.5	K170 C278 E350	K170-G348 VanDerWaalsContact CE-CA 3.41Å; C278-G348 WeakPolarHBondContact CB-O 3.26Å; C278-G348 PolarHBondContact N-O 3.07Å; G348-E350 VanDerWaalsContact C-N 3.27Å; G348-E350 CarbonylContact C-O 3.54Å; G348-E350 PolarHBondContact N-O 3.05Å
349	I	94.2	Very high	93.7	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.041	14%	0.141	C	C	.	.	S	Bend	trans	-68.6	-31.5	170	-66.4	162.8	0	0	0	111.3	M54 W55 R273 S276 Y277 C278	M54-I349 HydrophobicContact CB-CD1 4.24Å; M54-I349 HydrophobicContact CB-CG2 3.97Å; M54-I349 HydrophobicContact CG-CG2 4.42Å; W55-I349 HydrophobicContact CB-CD1 3.59Å; W55-I349 HydrophobicContact CG-CD1 4.26Å; R273-I349 PolarHBondContact NH2-O 3.04Å; R273-I349 VanDerWaalsContact NH2-O 3.12Å; S276-I349 WeakPolarHBondContact O-CA 3.29Å; Y277-I349 HydrophobicContact CD1-CG1 4.37Å; Y277-I349 HydrophobicContact CE1-CD1 4.47Å; Y277-I349 HydrophobicContact CE1-CG1 3.84Å; Y277-I349 HydrophobicContact CE2-CG1 4.09Å; C278-I349 PolarHBondContact SG-O 2.89Å
350	E	92.7	Very high	93.5	Very high	19 Å²	19	32.7 Å²	32.7	9%	0.089	16%	0.159	C	C	.	.	S	Bend	trans	-88	137.3	164.5	-58.9	-178.5	170.5	0	0	109.5	Y46 K48 S51 T347 G348 R352	Y46-E350 HydrophobicContact CD1-CB 4.48Å; K48-E350 WeakPolarHBondContact CD-OE1 3.3Å; K48-E350 IonicContact NZ-OE1 3.14Å; K48-E350 PolarHBondContact NZ-OE1 2.92Å; K48-E350 IonicContact NZ-OE2 3.19Å; K48-E350 PolarHBondContact NZ-OE2 3.01Å; S51-E350 WeakPolarHBondContact OG-CG 3.46Å; S51-E350 PolarHBondContact OG-OE1 3.36Å; T347-E350 PolarHBondContact OG1-O 2.83Å; G348-E350 VanDerWaalsContact C-N 3.27Å; G348-E350 CarbonylContact C-O 3.54Å; G348-E350 PolarHBondContact N-O 3.05Å; E350-R352 VanDerWaalsContact C-N 3.25Å; E350-R352 PolarHBondContact O-N 3.29Å
351	F	94.4	Very high	93.4	Very high	13 Å²	13	41.4 Å²	41.4	6%	0.057	20%	0.196	C	C	.	.	S	Bend	trans	-60.1	-39.1	169	172.8	-104.2	0	0	0	111.8	Y46 C237 Y238 F252 C278 N280 F345 T347 N373	Y46-F351 HydrophobicContact CE1-CB 4.15Å; Y46-F351 HydrophobicContact CE2-CB 3.99Å; C237-F351 HydrophobicContact CB-CB 4.49Å; C237-F351 HydrophobicContact CB-CD2 3.69Å; C237-F351 HydrophobicContact CB-CE2 4.23Å; C237-F351 HydrophobicContact CB-CG 4.26Å; Y238-F351 HydrophobicContact CD1-CD1 4.48Å; Y238-F351 HydrophobicContact CD1-CD2 4.25Å; Y238-F351 HydrophobicContact CD1-CE1 4.08Å; Y238-F351 AromaticContact CD1-CE2 3.81Å; Y238-F351 HydrophobicContact CD1-CE2 3.81Å; Y238-F351 AromaticContact CD1-CZ 3.72Å; Y238-F351 HydrophobicContact CD1-CZ 3.72Å; Y238-F351 HydrophobicContact CE1-CD2 4.25Å; Y238-F351 HydrophobicContact CE1-CE1 4.11Å; Y238-F351 AromaticContact CE1-CE2 3.41Å; Y238-F351 HydrophobicContact CE1-CE2 3.41Å; Y238-F351 VanDerWaalsContact CE1-CE2 3.41Å; Y238-F351 AromaticContact CE1-CZ 3.33Å; Y238-F351 HydrophobicContact CE1-CZ 3.33Å; F252-F351 HydrophobicContact CB-CE1 3.83Å; F252-F351 HydrophobicContact CB-CZ 4.34Å; F252-F351 AromaticContact CD1-CE1 3.97Å; F252-F351 HydrophobicContact CD1-CE1 3.97Å; F252-F351 AromaticContact CD1-CZ 3.62Å; F252-F351 HydrophobicContact CD1-CZ 3.62Å; F252-F351 HydrophobicContact CD2-CE1 4.2Å; F252-F351 HydrophobicContact CD2-CZ 4.44Å; F252-F351 AromaticContact CE1-CZ 3.92Å; F252-F351 HydrophobicContact CE1-CZ 3.92Å; F252-F351 AromaticContact CG-CE1 3.74Å; F252-F351 HydrophobicContact CG-CE1 3.74Å; F252-F351 AromaticContact CG-CZ 3.89Å; F252-F351 HydrophobicContact CG-CZ 3.89Å; F252-F351 HydrophobicContact CZ-CZ 4.43Å; C278-F351 HydrophobicContact CB-CB 4.14Å; C278-F351 HydrophobicContact CB-CD2 4.38Å; C278-F351 PolarHBondContact SG-N 2.93Å; C278-F351 VanDerWaalsContact SG-N 3.42Å; N280-F351 HydrophobicContact CB-CE2 3.89Å; F345-F351 WeakPolarHBondContact CD2-O 3.5Å; F345-F351 HydrophobicContact CE2-CD1 4.37Å; F345-F351 HydrophobicContact CE2-CE1 4.13Å; F345-F351 HydrophobicContact CE2-CZ 4.38Å; F345-F351 WeakPolarHBondContact CE2-O 3.31Å; F345-F351 HydrophobicContact CZ-CD1 4.37Å; F345-F351 AromaticContact CZ-CE1 3.78Å; F345-F351 HydrophobicContact CZ-CE1 3.78Å; F345-F351 HydrophobicContact CZ-CZ 4.13Å; T347-F351 PolarHBondContact OG1-O 3.05Å; F351-N373 WeakPolarHBondContact CZ-ND2 3.42Å
352	R	94.2	Very high	93.4	Very high	113 Å²	113	31.7 Å²	31.7	43%	0.426	16%	0.161	S	C	.	.	S	Bend	trans	-140.9	111.2	-175.8	172.9	174.5	178.7	-158	-4.1	111.7	F345 E350 S354 L357	F345-R352 HydrophobicContact CB-CG 4.29Å; F345-R352 HydrophobicContact CD1-CB 4.34Å; F345-R352 HydrophobicContact CD1-CG 3.65Å; F345-R352 HydrophobicContact CD2-CB 3.77Å; F345-R352 HydrophobicContact CD2-CG 3.85Å; F345-R352 HydrophobicContact CE1-CB 4.23Å; F345-R352 HydrophobicContact CE1-CG 3.85Å; F345-R352 HydrophobicContact CE2-CB 3.63Å; F345-R352 HydrophobicContact CE2-CG 4.02Å; F345-R352 HydrophobicContact CG-CB 4.12Å; F345-R352 HydrophobicContact CG-CG 3.65Å; F345-R352 HydrophobicContact CZ-CB 3.88Å; F345-R352 HydrophobicContact CZ-CG 4.03Å; E350-R352 VanDerWaalsContact C-N 3.25Å; E350-R352 PolarHBondContact O-N 3.29Å; R352-S354 PolarHBondContact O-N 2.76Å; R352-L357 HydrophobicContact CG-CD2 4.49Å
353	D	92.4	Very high	93.2	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.032	19%	0.185	C	C	.	.			trans	-69.8	120.6	168.1	-163	-43.8	0	0	0	110.8	K48 S164 V346 N355 L356 L357	K48-D353 IonicContact NZ-OD1 3.6Å; K48-D353 PolarHBondContact NZ-OD1 3.24Å; K48-D353 VanDerWaalsContact NZ-OD1 3.15Å; K48-D353 IonicContact NZ-OD2 2.59Å; K48-D353 PolarHBondContact NZ-OD2 3.4Å; S164-D353 WeakPolarHBondContact CA-OD2 3.47Å; S164-D353 WeakPolarHBondContact CB-OD2 3.36Å; S164-D353 PolarHBondContact OG-OD1 3.37Å; S164-D353 PolarHBondContact OG-OD2 3.3Å; V346-D353 HydrophobicContact CB-CB 4.11Å; V346-D353 HydrophobicContact CG1-CB 4.47Å; V346-D353 PolarHBondContact O-N 3.48Å; D353-N355 VanDerWaalsContact C-N 3.28Å; D353-N355 PolarHBondContact O-N 2.71Å; D353-N355 PolarHBondContact OD1-N 2.87Å; D353-L356 HydrophobicContact CB-CB 4.26Å; D353-L356 PolarHBondContact OD1-N 3.17Å; D353-L357 VanDerWaalsContact O-CD2 3.29Å; D353-L357 WeakPolarHBondContact O-CD2 3.5Å
354	S	89.4	Confident	93	Very high	56 Å²	56	34.4 Å²	34.4	39%	0.392	19%	0.191	S	C	.	.	S	Bend	trans	-70.6	-19.5	-180	76.3	0	0	0	0	114.7	K134 R352	K134-S354 PolarHBondContact NZ-OG 3.33Å; R352-S354 PolarHBondContact O-N 2.76Å
355	N	90.2	Very high	92.9	Very high	42 Å²	42	36.8 Å²	36.8	23%	0.225	21%	0.205	C	C	.	.	S	Bend	trans	-95.3	-38.4	-177.2	-53.2	-37.8	0	0	0	110.8	K134 S160 S164 D353 L357	K134-N355 PolarHBondContact NZ-OD1 3.07Å; S160-N355 VanDerWaalsContact C-ND2 3.35Å; S160-N355 PolarHBondContact O-ND2 2.73Å; S164-N355 PolarHBondContact OG-ND2 2.65Å; D353-N355 VanDerWaalsContact C-N 3.28Å; D353-N355 PolarHBondContact O-N 2.71Å; D353-N355 PolarHBondContact OD1-N 2.87Å; N355-L357 PolarHBondContact O-N 3.38Å
356	L	92.4	Very high	92.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.205	C	C	.	.	S	Bend	trans	-98.3	61.6	-176.2	-59.3	178	0	0	0	112.7	E165 A168 F345 V346 D353 S364	E165-L356 HydrophobicContact CG-CD2 4.34Å; E165-L356 WeakPolarHBondContact OE1-CD2 3.01Å; A168-L356 HydrophobicContact CB-CD1 3.64Å; F345-L356 WeakPolarHBondContact CA-O 3.36Å; V346-L356 HydrophobicContact CB-CB 3.89Å; V346-L356 HydrophobicContact CB-CD1 4.41Å; V346-L356 HydrophobicContact CG2-CB 3.59Å; V346-L356 HydrophobicContact CG2-CD1 4.02Å; V346-L356 HydrophobicContact CG2-CG 4.45Å; V346-L356 PolarHBondContact N-O 3.18Å; D353-L356 HydrophobicContact CB-CB 4.26Å; D353-L356 PolarHBondContact OD1-N 3.17Å; L356-S364 WeakPolarHBondContact CD2-OG 3.39Å
357	L	94.3	Very high	92.8	Very high	36 Å²	36	40.4 Å²	40.4	19%	0.188	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-83.5	141.8	175.1	-55.7	179.2	0	0	0	111.7	F345 R352 D353 N355 S359 S362	F345-L357 HydrophobicContact CB-CD2 3.94Å; F345-L357 HydrophobicContact CD1-CD2 4.42Å; R352-L357 HydrophobicContact CG-CD2 4.49Å; D353-L357 VanDerWaalsContact O-CD2 3.29Å; D353-L357 WeakPolarHBondContact O-CD2 3.5Å; N355-L357 PolarHBondContact O-N 3.38Å; L357-S359 VanDerWaalsContact C-N 3.28Å; L357-S359 PolarHBondContact O-N 3.47Å; L357-S362 VanDerWaalsContact O-CB 3.28Å; L357-S362 WeakPolarHBondContact O-CB 3.48Å; L357-S362 PolarHBondContact O-OG 2.84Å
358	L	95.3	Very high	92.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.			trans	-82.6	72.7	175.5	-56.8	-175.5	0	0	0	110.5	I317 N342 Y343 G344 F366 L372 F374	I317-L358 HydrophobicContact CD1-CD2 3.94Å; I317-L358 HydrophobicContact CG1-CD2 4.11Å; I317-L358 HydrophobicContact CG2-CB 4.4Å; I317-L358 HydrophobicContact CG2-CD2 3.83Å; N342-L358 PolarHBondContact OD1-O 2.89Å; Y343-L358 PolarHBondContact N-O 2.82Å; G344-L358 PolarHBondContact O-N 3.44Å; L358-F366 HydrophobicContact CD2-CE1 3.63Å; L358-F366 HydrophobicContact CD2-CZ 4.01Å; L358-L372 HydrophobicContact CD1-CD1 4.31Å; L358-L372 HydrophobicContact CD1-CD2 4.49Å; L358-L372 HydrophobicContact CD2-CD2 4.34Å; L358-F374 HydrophobicContact CD1-CD2 4Å
359	S	93.4	Very high	92.7	Very high	22 Å²	22	48.2 Å²	48.2	15%	0.154	25%	0.249	C	C	.	.	S	Bend	trans	-132.8	159.1	-177	75	0	0	0	0	112.6	L357 K361 S362	L357-S359 VanDerWaalsContact C-N 3.28Å; L357-S359 PolarHBondContact O-N 3.47Å; S359-K361 PolarHBondContact O-N 3.2Å; S359-S362 WeakPolarHBondContact O-CB 3.4Å; S359-S362 PolarHBondContact O-N 3.01Å
360	P	91.8	Very high	92.8	Very high	66 Å²	66	47.9 Å²	47.9	43%	0.429	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-8.3	176.7	-25.4	33.4	0	0	0	116.1	C321 R341	C321-P360 HydrophobicContact CB-CB 4.4Å; C321-P360 HydrophobicContact CB-CG 3.87Å; R341-P360 WeakPolarHBondContact O-CD 3.3Å
361	K	91.9	Very high	93	Very high	201 Å²	201	47 Å²	47	87%	0.874	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-5.4	177	-63.7	-174	177.8	-175.8	0	113.8	S359	S359-K361 PolarHBondContact O-N 3.2Å
362	S	89.3	Confident	93.2	Very high	11 Å²	11	46.4 Å²	46.4	8%	0.077	24%	0.24	C	C	.	.			trans	-81.8	120.9	-174.1	-172.3	0	0	0	0	111.8	A318 L357 S359	A318-S362 WeakPolarHBondContact CB-O 3.25Å; A318-S362 PolarHBondContact N-O 3.28Å; L357-S362 VanDerWaalsContact O-CB 3.28Å; L357-S362 WeakPolarHBondContact O-CB 3.48Å; L357-S362 PolarHBondContact O-OG 2.84Å; S359-S362 WeakPolarHBondContact O-CB 3.4Å; S359-S362 PolarHBondContact O-N 3.01Å
363	A	87.7	Confident	93.3	Very high	95 Å²	95	41 Å²	41	79%	0.785	22%	0.22	S	C	*	.			trans	-80.8	-21.5	180	0	0	0	0	0	113.4
364	S	90.7	Very high	93.6	Very high	21 Å²	21	40.7 Å²	40.7	15%	0.147	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-68.8	157.8	-174.9	-53.5	0	0	0	0	113	E165 I317 L356	E165-S364 WeakPolarHBondContact OE1-CB 3.43Å; E165-S364 PolarHBondContact OE1-OG 3.28Å; I317-S364 WeakPolarHBondContact CG1-O 3.34Å; I317-S364 PolarHBondContact N-O 3.05Å; L356-S364 WeakPolarHBondContact CD2-OG 3.39Å
365	T	94.1	Very high	93.9	Very high	49 Å²	49	38.3 Å²	38.3	30%	0.301	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-103.4	151.4	173.6	50.7	0	0	0	0	111.1	V315 K316 R367	V315-T365 CarbonylContact O-C 3.39Å; V315-T365 VanDerWaalsContact O-CA 3.31Å; V315-T365 WeakPolarHBondContact O-CA 3.37Å; K316-T365 HydrophobicContact CB-CG2 4.44Å; K316-T365 HydrophobicContact CG-CG2 3.77Å; T365-R367 PolarHBondContact O-N 2.93Å
366	F	96	Very high	94.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-63.4	134	166.2	-64.8	-63.8	0	0	0	109.7	I311 P313 G314 V315 I317 F320 L358 L372 V404	I311-F366 HydrophobicContact CB-CE2 4.47Å; I311-F366 HydrophobicContact CG1-CE1 4.45Å; I311-F366 HydrophobicContact CG1-CE2 4.13Å; I311-F366 HydrophobicContact CG1-CZ 3.94Å; I311-F366 HydrophobicContact CG2-CD1 3.92Å; I311-F366 HydrophobicContact CG2-CD2 4.16Å; I311-F366 HydrophobicContact CG2-CE1 4.02Å; I311-F366 HydrophobicContact CG2-CE2 4.26Å; I311-F366 HydrophobicContact CG2-CG 3.98Å; I311-F366 HydrophobicContact CG2-CZ 4.19Å; P313-F366 CarbonylContact C-O 3.06Å; P313-F366 WeakPolarHBondContact CA-O 3.36Å; G314-F366 PolarHBondContact N-O 2.87Å; V315-F366 HydrophobicContact CB-CD2 4.17Å; V315-F366 HydrophobicContact CG1-CD2 4.4Å; V315-F366 WeakPolarHBondContact O-CD2 3.18Å; V315-F366 PolarHBondContact O-N 2.9Å; I317-F366 HydrophobicContact CD1-CE1 4.47Å; I317-F366 HydrophobicContact CG1-CD1 4.21Å; I317-F366 HydrophobicContact CG1-CD2 4.45Å; I317-F366 HydrophobicContact CG1-CE1 3.94Å; I317-F366 HydrophobicContact CG1-CE2 4.2Å; I317-F366 HydrophobicContact CG1-CG 4.47Å; I317-F366 HydrophobicContact CG1-CZ 3.95Å; F320-F366 HydrophobicContact CB-CE2 3.91Å; F320-F366 AromaticContact CD1-CE2 3.85Å; F320-F366 HydrophobicContact CD1-CE2 3.85Å; F320-F366 AromaticContact CD1-CZ 3.72Å; F320-F366 HydrophobicContact CD1-CZ 3.72Å; F320-F366 HydrophobicContact CD2-CE2 4.31Å; F320-F366 HydrophobicContact CE1-CE2 4.42Å; F320-F366 AromaticContact CE1-CZ 3.98Å; F320-F366 HydrophobicContact CE1-CZ 3.98Å; F320-F366 AromaticContact CG-CE2 3.77Å; F320-F366 HydrophobicContact CG-CE2 3.77Å; F320-F366 HydrophobicContact CG-CZ 4.13Å; L358-F366 HydrophobicContact CD2-CE1 3.63Å; L358-F366 HydrophobicContact CD2-CZ 4.01Å; F366-L372 HydrophobicContact CD1-CD1 3.85Å; F366-L372 HydrophobicContact CE1-CD1 3.5Å; F366-L372 HydrophobicContact CE1-CD2 4.38Å; F366-L372 HydrophobicContact CZ-CD1 4.5Å; F366-V404 HydrophobicContact CB-CG1 4.39Å
367	R	94.5	Very high	94.5	Very high	83 Å²	83	36.3 Å²	36.3	31%	0.313	19%	0.19	S	C	.	.			trans	-124.5	148.9	179	-65.7	-174.4	-72.6	144.9	9.4	110.1	E165 T169 T365 G369 M370	E165-R367 PolarHBondContact O-NH2 3.24Å; E165-R367 IonicContact OE2-CZ 3.13Å; E165-R367 IonicContact OE2-NE 2.71Å; E165-R367 IonicContact OE2-NH2 3.48Å; E165-R367 PolarHBondContact OE2-NH2 2.98Å; T169-R367 HydrophobicContact CG2-CB 4.03Å; T365-R367 PolarHBondContact O-N 2.93Å; R367-G369 PolarHBondContact O-N 3.23Å; R367-M370 HydrophobicContact CB-CE 4.15Å; R367-M370 HydrophobicContact CB-CG 4.13Å; R367-M370 HydrophobicContact CB-SD 4.07Å; R367-M370 HydrophobicContact CG-CE 4.26Å; R367-M370 PolarHBondContact N-SD 3.01Å; R367-M370 VanDerWaalsContact O-CB 3.29Å; R367-M370 WeakPolarHBondContact O-CB 3.33Å; R367-M370 WeakPolarHBondContact O-CG 3.33Å; R367-M370 PolarHBondContact O-N 3.23Å
368	R	95	Very high	94.6	Very high	164 Å²	164	34.6 Å²	34.6	62%	0.619	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	134.1	179.2	-166.6	-178	-170.1	-152.1	-2	109.7	P313 M370 V404 G405	P313-R368 HydrophobicContact CG-CB 4.31Å; R368-M370 VanDerWaalsContact C-N 3.31Å; R368-V404 CarbonylContact C-O 3.54Å; R368-V404 WeakPolarHBondContact CA-O 3.4Å; R368-G405 WeakPolarHBondContact CG-O 3.46Å; R368-G405 PolarHBondContact NE-O 3.4Å; R368-G405 PolarHBondContact NH2-O 3.32Å
369	G	93.8	Very high	94.6	Very high	7 Å²	7	37.5 Å²	37.5	7%	0.072	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	1.5	-175.5	0	0	0	0	0	115.1	T169 K170 R367 V404	T169-G369 WeakPolarHBondContact CA-O 3.4Å; K170-G369 PolarHBondContact N-O 2.78Å; R367-G369 PolarHBondContact O-N 3.23Å; G369-V404 PolarHBondContact N-O 2.81Å
370	M	96.4	Very high	94.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-64.1	138.4	165.8	-80.1	-177.5	161.9	0	0	110.6	A168 T169 R367 R368 A403 V404	A168-M370 HydrophobicContact CB-CE 3.8Å; A168-M370 HydrophobicContact CB-CG 4.18Å; A168-M370 WeakPolarHBondContact O-CA 3.5Å; T169-M370 HydrophobicContact CG2-CG 3.94Å; R367-M370 HydrophobicContact CB-CE 4.15Å; R367-M370 HydrophobicContact CB-CG 4.13Å; R367-M370 HydrophobicContact CB-SD 4.07Å; R367-M370 HydrophobicContact CG-CE 4.26Å; R367-M370 PolarHBondContact N-SD 3.01Å; R367-M370 VanDerWaalsContact O-CB 3.29Å; R367-M370 WeakPolarHBondContact O-CB 3.33Å; R367-M370 WeakPolarHBondContact O-CG 3.33Å; R367-M370 PolarHBondContact O-N 3.23Å; R368-M370 VanDerWaalsContact C-N 3.31Å; M370-A403 CarbonylContact O-C 3.46Å; M370-A403 WeakPolarHBondContact O-CA 3.47Å; M370-V404 HydrophobicContact CB-CB 4.35Å; M370-V404 HydrophobicContact CB-CG2 4.17Å; M370-V404 PolarHBondContact O-N 2.6Å
371	T	97	Very high	94.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.8	174.3	31.7	0	0	0	0	110	K170 L175 L178 V346 T347 L402 A403	K170-T371 WeakPolarHBondContact CE-OG1 2.77Å; K170-T371 HydrophobicContact CG-CG2 3.93Å; K170-T371 WeakPolarHBondContact CG-OG1 3.33Å; K170-T371 PolarHBondContact NZ-OG1 2.8Å; L175-T371 HydrophobicContact CD2-CG2 3.62Å; L178-T371 HydrophobicContact CD1-CG2 3.92Å; L178-T371 HydrophobicContact CD2-CG2 4.02Å; V346-T371 WeakPolarHBondContact CA-O 3.46Å; T347-T371 PolarHBondContact N-O 2.66Å; T347-T371 PolarHBondContact O-OG1 3.18Å; T371-L402 WeakPolarHBondContact CA-O 3.31Å; T371-A403 HydrophobicContact CG2-CB 3.92Å
372	L	97.5	Very high	94.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.2	-172.4	-54.3	176.7	0	0	0	109.9	I311 F345 V346 L358 F366 F374 V401 L402 V404	I311-L372 HydrophobicContact CD1-CD1 4.16Å; I311-L372 HydrophobicContact CG2-CD1 3.92Å; F345-L372 WeakPolarHBondContact O-CA 3.43Å; V346-L372 HydrophobicContact CG2-CD2 3.79Å; L358-L372 HydrophobicContact CD1-CD1 4.31Å; L358-L372 HydrophobicContact CD1-CD2 4.49Å; L358-L372 HydrophobicContact CD2-CD2 4.34Å; F366-L372 HydrophobicContact CD1-CD1 3.85Å; F366-L372 HydrophobicContact CE1-CD1 3.5Å; F366-L372 HydrophobicContact CE1-CD2 4.38Å; F366-L372 HydrophobicContact CZ-CD1 4.5Å; L372-F374 PolarHBondContact O-N 3.13Å; L372-V401 VanDerWaalsContact O-CA 3.29Å; L372-V401 WeakPolarHBondContact O-CA 3.5Å; L372-L402 HydrophobicContact CB-CG 4.35Å; L372-L402 HydrophobicContact CD1-CD1 4.26Å; L372-L402 PolarHBondContact N-O 3.13Å; L372-L402 PolarHBondContact O-N 3.24Å; L372-V404 HydrophobicContact CD1-CG2 3.68Å; L372-V404 HydrophobicContact CG-CG2 4.06Å
373	N	97.2	Very high	94.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	85.3	156.8	178.2	-7	0	0	0	106.3	N280 G344 F345 T347 F351 N375 V401	N280-N373 VanDerWaalsContact CB-ND2 3.28Å; N280-N373 WeakPolarHBondContact CB-ND2 3.44Å; N280-N373 VanDerWaalsContact CG-ND2 3.34Å; N280-N373 PolarHBondContact ND2-ND2 3.35Å; N280-N373 VanDerWaalsContact ND2-ND2 3.11Å; N280-N373 PolarHBondContact ND2-OD1 3.45Å; G344-N373 VanDerWaalsContact CA-O 3.22Å; G344-N373 WeakPolarHBondContact CA-O 3.44Å; F345-N373 HydrophobicContact CD2-CB 3.89Å; F345-N373 HydrophobicContact CE2-CB 3.61Å; F345-N373 VanDerWaalsContact CE2-ND2 3.28Å; F345-N373 WeakPolarHBondContact CE2-ND2 3.4Å; F345-N373 HydrophobicContact CZ-CB 4.4Å; F345-N373 PolarHBondContact N-O 3.47Å; F345-N373 VanDerWaalsContact N-O 3.16Å; F345-N373 PolarHBondContact O-N 3.02Å; T347-N373 HydrophobicContact CG2-CB 4.27Å; F351-N373 WeakPolarHBondContact CZ-ND2 3.42Å; N373-N375 PolarHBondContact O-ND2 2.63Å; N373-V401 HydrophobicContact CB-CG2 4.32Å
374	F	97.6	Very high	94.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.1	-179.2	174.3	-109.4	0	0	0	109	F304 C307 I308 I311 F320 Y343 L358 L372 L376 G399 D400 L402	F304-F374 HydrophobicContact CD1-CD1 4.35Å; F304-F374 HydrophobicContact CD1-CE1 4.07Å; F304-F374 HydrophobicContact CD2-CD1 4.5Å; F304-F374 AromaticContact CD2-CE1 3.91Å; F304-F374 HydrophobicContact CD2-CE1 3.91Å; F304-F374 AromaticContact CE1-CD1 3.71Å; F304-F374 HydrophobicContact CE1-CD1 3.71Å; F304-F374 AromaticContact CE1-CE1 3.88Å; F304-F374 HydrophobicContact CE1-CE1 3.88Å; F304-F374 AromaticContact CE2-CD1 3.86Å; F304-F374 HydrophobicContact CE2-CD1 3.86Å; F304-F374 AromaticContact CE2-CE1 3.68Å; F304-F374 HydrophobicContact CE2-CE1 3.68Å; F304-F374 HydrophobicContact CG-CE1 4.09Å; F304-F374 AromaticContact CZ-CD1 3.41Å; F304-F374 HydrophobicContact CZ-CD1 3.41Å; F304-F374 VanDerWaalsContact CZ-CD1 3.41Å; F304-F374 AromaticContact CZ-CE1 3.66Å; F304-F374 HydrophobicContact CZ-CE1 3.66Å; F304-F374 HydrophobicContact CZ-CG 4.49Å; C307-F374 HydrophobicContact CB-CE1 3.75Å; C307-F374 HydrophobicContact CB-CE2 4.26Å; C307-F374 HydrophobicContact CB-CZ 3.33Å; I308-F374 HydrophobicContact CG1-CD1 4.37Å; I308-F374 HydrophobicContact CG1-CE1 4.49Å; I311-F374 HydrophobicContact CD1-CD2 4.07Å; I311-F374 HydrophobicContact CD1-CE2 4.45Å; I311-F374 HydrophobicContact CD1-CG 4.2Å; F320-F374 HydrophobicContact CE1-CE2 4.03Å; F320-F374 HydrophobicContact CZ-CD2 4.43Å; F320-F374 AromaticContact CZ-CE2 3.73Å; F320-F374 HydrophobicContact CZ-CE2 3.73Å; F320-F374 HydrophobicContact CZ-CZ 4.28Å; Y343-F374 WeakPolarHBondContact O-CD2 3.32Å; L358-F374 HydrophobicContact CD1-CD2 4Å; L372-F374 PolarHBondContact O-N 3.13Å; F374-L376 HydrophobicContact CZ-CB 4.39Å; F374-G399 CarbonylContact O-C 3.56Å; F374-G399 VanDerWaalsContact O-CA 3.22Å; F374-G399 WeakPolarHBondContact O-CA 3.41Å; F374-D400 PolarHBondContact N-O 3.41Å; F374-D400 PolarHBondContact O-N 3.21Å; F374-L402 HydrophobicContact CB-CD2 3.74Å; F374-L402 HydrophobicContact CD1-CD2 4.38Å; F374-L402 HydrophobicContact CG-CD2 4.34Å
375	N	96.9	Very high	94.6	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.032	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	153.9	177.5	59.5	88.9	0	0	0	112	I282 Y343 G344 N373 W397 L398	I282-N375 HydrophobicContact CD1-CB 3.86Å; Y343-N375 CarbonylContact C-O 3.51Å; Y343-N375 WeakPolarHBondContact CA-O 3.13Å; Y343-N375 PolarHBondContact O-N 3.27Å; G344-N375 VanDerWaalsContact CA-ND2 3.27Å; G344-N375 WeakPolarHBondContact CA-ND2 3.23Å; N373-N375 PolarHBondContact O-ND2 2.63Å; N375-W397 PolarHBondContact OD1-NE1 2.71Å; N375-L398 CarbonylContact C-O 3.6Å; N375-L398 WeakPolarHBondContact CA-O 3.41Å; N375-L398 WeakPolarHBondContact CB-O 3.28Å
376	L	96.8	Very high	94	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	142.3	-171.7	-175.9	67.3	0	0	0	108.5	L300 L303 F304 I324 L339 Y343 F374 L398	L300-L376 HydrophobicContact CD1-CB 4.27Å; L300-L376 HydrophobicContact CD1-CD2 3.92Å; L300-L376 HydrophobicContact CD1-CG 3.73Å; L303-L376 HydrophobicContact CB-CD2 4.36Å; L303-L376 HydrophobicContact CD2-CD2 3.85Å; L303-L376 HydrophobicContact CG-CD2 3.81Å; F304-L376 HydrophobicContact CD2-CB 3.74Å; F304-L376 HydrophobicContact CD2-CD2 4.26Å; F304-L376 HydrophobicContact CE2-CB 3.95Å; I324-L376 HydrophobicContact CG2-CD1 4.11Å; L339-L376 HydrophobicContact CD1-CD1 3.87Å; Y343-L376 HydrophobicContact CD1-CD1 3.4Å; Y343-L376 HydrophobicContact CE1-CD1 3.46Å; Y343-L376 VanDerWaalsContact CE1-CD1 3.46Å; F374-L376 HydrophobicContact CZ-CB 4.39Å; L376-L398 PolarHBondContact N-O 2.81Å; L376-L398 PolarHBondContact O-N 2.77Å
377	G	96.7	Very high	93.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	168.6	-178.4	0	0	0	0	0	114.7	L340 L396	L340-G377 PolarHBondContact N-O 3.04Å; G377-L396 CarbonylContact C-O 3.53Å; G377-L396 WeakPolarHBondContact CA-O 3.43Å
378	F	97.2	Very high	92.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.3	176.2	-63.1	-67.6	0	0	0	108.5	Y299 L300 L303 V328 L335 N338 L339 L381 A395 L396	Y299-F378 HydrophobicContact CD1-CE2 4.22Å; Y299-F378 HydrophobicContact CD1-CZ 4.11Å; Y299-F378 HydrophobicContact CE1-CZ 4.12Å; L300-F378 HydrophobicContact CB-CD2 4.14Å; L300-F378 HydrophobicContact CB-CE2 3.91Å; L300-F378 HydrophobicContact CD1-CD2 3.98Å; L300-F378 HydrophobicContact CD1-CE2 3.79Å; L300-F378 HydrophobicContact CD2-CD2 4.47Å; L300-F378 HydrophobicContact CG-CD2 4.41Å; L300-F378 HydrophobicContact CG-CE2 4.37Å; L303-F378 HydrophobicContact CD2-CZ 4.23Å; V328-F378 HydrophobicContact CG1-CE1 4.07Å; V328-F378 HydrophobicContact CG1-CZ 4.42Å; V328-F378 HydrophobicContact CG2-CZ 4.44Å; L335-F378 HydrophobicContact CB-CD1 3.98Å; L335-F378 HydrophobicContact CB-CE1 3.67Å; L335-F378 HydrophobicContact CB-CZ 4.19Å; L335-F378 HydrophobicContact CD1-CE1 4.37Å; L335-F378 HydrophobicContact CD1-CE2 4.22Å; L335-F378 HydrophobicContact CD1-CZ 4.1Å; N338-F378 HydrophobicContact CB-CB 4.09Å; N338-F378 HydrophobicContact CB-CD1 4.07Å; N338-F378 CarbonylContact O-C 3.6Å; N338-F378 WeakPolarHBondContact O-CA 3.46Å; L339-F378 HydrophobicContact CB-CD1 4.21Å; L339-F378 HydrophobicContact CB-CE1 4.04Å; L339-F378 HydrophobicContact CD1-CD1 4.25Å; L339-F378 HydrophobicContact CD1-CE1 3.72Å; L339-F378 HydrophobicContact CD1-CZ 4.27Å; L339-F378 HydrophobicContact CG-CE1 4.45Å; F378-L381 HydrophobicContact CB-CD1 3.74Å; F378-L381 HydrophobicContact CB-CD2 4.19Å; F378-L381 HydrophobicContact CB-CG 4.06Å; F378-A395 CarbonylContact O-C 3.58Å; F378-A395 VanDerWaalsContact O-CA 3.26Å; F378-A395 WeakPolarHBondContact O-CA 3.32Å; F378-A395 WeakPolarHBondContact O-CB 3.36Å; F378-L396 PolarHBondContact N-O 2.57Å; F378-L396 PolarHBondContact O-N 3.32Å
379	Q	94.6	Very high	92.1	Very high	62 Å²	62	44 Å²	44	29%	0.29	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	158.1	177.7	55.3	172	23.2	0	0	110.9	L250 N338 L340 L381	L250-Q379 HydrophobicContact CD1-CB 4.15Å; L250-Q379 HydrophobicContact CG-CB 4.5Å; N338-Q379 WeakPolarHBondContact CA-O 3.37Å; N338-Q379 VanDerWaalsContact CB-O 3.25Å; N338-Q379 WeakPolarHBondContact CB-O 3.39Å; N338-Q379 PolarHBondContact ND2-O 3.23Å; N338-Q379 VanDerWaalsContact O-CG 3.31Å; N338-Q379 WeakPolarHBondContact O-CG 3.46Å; N338-Q379 PolarHBondContact O-N 3.27Å; L340-Q379 HydrophobicContact CD2-CG 4.16Å; Q379-L381 VanDerWaalsContact C-N 3.31Å; Q379-L381 PolarHBondContact O-N 2.83Å
380	N	93.4	Very high	91.7	Very high	109 Å²	109	45 Å²	45	58%	0.583	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	59.1	37.8	177.2	-44.9	-23.7	0	0	0	113.3	N338	N338-N380 PolarHBondContact ND2-O 3.09Å
381	L	94.7	Very high	91.1	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	143.1	172.1	-63.8	175.5	0	0	0	109.6	L335 N338 F378 Q379 N393 Y394 L396	L335-L381 HydrophobicContact CD2-CD2 3.62Å; N338-L381 HydrophobicContact CB-CD2 3.87Å; F378-L381 HydrophobicContact CB-CD1 3.74Å; F378-L381 HydrophobicContact CB-CD2 4.19Å; F378-L381 HydrophobicContact CB-CG 4.06Å; Q379-L381 VanDerWaalsContact C-N 3.31Å; Q379-L381 PolarHBondContact O-N 2.83Å; L381-N393 WeakPolarHBondContact O-CA 3.04Å; L381-Y394 HydrophobicContact CB-CD1 3.86Å; L381-Y394 HydrophobicContact CB-CD2 3.94Å; L381-Y394 HydrophobicContact CB-CE1 3.59Å; L381-Y394 HydrophobicContact CB-CE2 3.67Å; L381-Y394 HydrophobicContact CB-CG 4.02Å; L381-Y394 VanDerWaalsContact CB-CZ 3.48Å; L381-Y394 WeakPolarHBondContact CB-O 3.28Å; L381-Y394 HydrophobicContact CD1-CD2 3.97Å; L381-Y394 HydrophobicContact CD1-CE2 3.35Å; L381-Y394 HydrophobicContact CG-CE2 4.17Å; L381-Y394 PolarHBondContact N-O 2.94Å; L381-Y394 WeakPolarHBondContact O-CD1 3.44Å; L381-Y394 PolarHBondContact O-N 3.41Å; L381-L396 HydrophobicContact CD1-CD1 3.91Å; L381-L396 HydrophobicContact CD1-CG 3.95Å
382	I	92.5	Very high	90.8	Very high	119 Å²	119	51.5 Å²	51.5	61%	0.61	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.6	-178.1	-59.7	173.7	0	0	0	108.8	K392	I382-K392 CarbonylContact C-O 3.6Å; I382-K392 WeakPolarHBondContact CA-O 3.32Å
383	N	91.4	Very high	90.6	Very high	14 Å²	14	54.5 Å²	54.5	8%	0.075	29%	0.285	C	S	.	.			trans	-91.2	109	166.8	179.3	16.1	0	0	0	108.5	L385 G386 E391 K392 Y394	N383-L385 PolarHBondContact O-N 2.7Å; N383-L385 PolarHBondContact OD1-N 2.86Å; N383-G386 PolarHBondContact O-N 2.99Å; N383-E391 WeakPolarHBondContact CB-O 3.36Å; N383-K392 PolarHBondContact N-O 3.41Å; N383-Y394 HydrophobicContact CB-CD1 4.02Å; N383-Y394 HydrophobicContact CB-CE1 4.11Å
384	S	87.9	Confident	90.5	Very high	94 Å²	94	54.8 Å²	54.8	66%	0.657	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.3	-179	54	0	0	0	0	114
385	L	86.3	Confident	90.4	Very high	128 Å²	128	54.8 Å²	54.8	67%	0.67	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-4.9	179.8	-59.2	-179.1	0	0	0	113.8	T290 N383 K387	T290-L385 HydrophobicContact CG2-CB 4.41Å; T290-L385 HydrophobicContact CG2-CD1 3.96Å; N383-L385 PolarHBondContact O-N 2.7Å; N383-L385 PolarHBondContact OD1-N 2.86Å; L385-K387 PolarHBondContact O-N 3.19Å
386	G	81	Confident	90.4	Very high	7 Å²	7	54.5 Å²	54.5	7%	0.072	29%	0.285	C	S	.	.			trans	-64.8	128	-178.5	0	0	0	0	0	111.9	N383 E391 K392	N383-G386 PolarHBondContact O-N 2.99Å; G386-E391 WeakPolarHBondContact CA-OE2 2.94Å; G386-K392 WeakPolarHBondContact O-CE 3.45Å; G386-K392 WeakPolarHBondContact O-CG 3.11Å
387	K	81	Confident	90.5	Very high	184 Å²	184	54.6 Å²	54.6	80%	0.8	29%	0.285	S	S	*	.	S	Bend	trans	-76.2	-55.9	174.2	-63.9	178.3	-178.1	175.9	0	109.8	L385 E391 K392	L385-K387 PolarHBondContact O-N 3.19Å; K387-E391 PolarHBondContact N-OE2 3.19Å; K387-K392 WeakPolarHBondContact O-CE 3.47Å; K387-K392 PolarHBondContact O-NZ 3.31Å
388	S	84.3	Confident	90.5	Very high	45 Å²	45	54.6 Å²	54.6	32%	0.315	29%	0.285	S	S	.	.	S	Bend	trans	-82.9	168	179.9	79.1	0	0	0	0	114.3	A390 E391 K392	S388-A390 PolarHBondContact O-N 3.39Å; S388-A390 PolarHBondContact OG-N 2.64Å; S388-A390 VanDerWaalsContact OG-N 3.17Å; S388-E391 WeakPolarHBondContact CA-OE1 3.38Å; S388-E391 WeakPolarHBondContact CB-OE1 3.12Å; S388-E391 PolarHBondContact N-OE1 3.15Å; S388-E391 PolarHBondContact OG-N 2.65Å; S388-E391 PolarHBondContact OG-OE1 3.09Å; S388-K392 WeakPolarHBondContact O-CD 3.28Å; S388-K392 WeakPolarHBondContact O-CG 3.38Å; S388-K392 PolarHBondContact O-N 3.43Å
389	Q	80.6	Confident	90.5	Very high	141 Å²	141	54.6 Å²	54.6	66%	0.659	29%	0.285	S	S	*	.	H	α-helix	trans	-66.3	-21.9	170.4	-72.2	-69.8	-3.7	0	0	113.3
390	A	84.7	Confident	90.7	Very high	28 Å²	28	51.6 Å²	51.6	23%	0.231	27%	0.271	C	S	.	.	H	α-helix	trans	-81.2	-27.5	-178.9	0	0	0	0	0	112.4	G245 G246 H262 S388	G245-A390 CarbonylContact C-O 3.46Å; G245-A390 WeakPolarHBondContact CA-O 3.29Å; G246-A390 PolarHBondContact N-O 3.2Å; H262-A390 WeakPolarHBondContact CD2-CB 3.36Å; H262-A390 WeakPolarHBondContact NE2-CB 3.48Å; S388-A390 PolarHBondContact O-N 3.39Å; S388-A390 PolarHBondContact OG-N 2.64Å; S388-A390 VanDerWaalsContact OG-N 3.17Å
391	E	84.5	Confident	90.9	Very high	60 Å²	60	46.4 Å²	46.4	28%	0.28	24%	0.244	S	C	.	.	H	α-helix	trans	-81.7	-38.1	171.7	-63.9	148.8	-105.4	0	0	113	N383 G386 K387 S388 N393	N383-E391 WeakPolarHBondContact CB-O 3.36Å; G386-E391 WeakPolarHBondContact CA-OE2 2.94Å; K387-E391 PolarHBondContact N-OE2 3.19Å; S388-E391 WeakPolarHBondContact CA-OE1 3.38Å; S388-E391 WeakPolarHBondContact CB-OE1 3.12Å; S388-E391 PolarHBondContact N-OE1 3.15Å; S388-E391 PolarHBondContact OG-N 2.65Å; S388-E391 PolarHBondContact OG-OE1 3.09Å; E391-N393 VanDerWaalsContact C-N 3.33Å; E391-N393 PolarHBondContact O-N 2.84Å
392	K	89.8	Confident	91	Very high	78 Å²	78	46.1 Å²	46.1	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-34.9	-169.7	-82.8	167.7	-170.4	170.4	0	114.3	I382 N383 G386 K387 S388	I382-K392 CarbonylContact C-O 3.6Å; I382-K392 WeakPolarHBondContact CA-O 3.32Å; N383-K392 PolarHBondContact N-O 3.41Å; G386-K392 WeakPolarHBondContact O-CE 3.45Å; G386-K392 WeakPolarHBondContact O-CG 3.11Å; K387-K392 WeakPolarHBondContact O-CE 3.47Å; K387-K392 PolarHBondContact O-NZ 3.31Å; S388-K392 WeakPolarHBondContact O-CD 3.28Å; S388-K392 WeakPolarHBondContact O-CG 3.38Å; S388-K392 PolarHBondContact O-N 3.43Å
393	N	93.1	Very high	91.2	Very high	64 Å²	64	40.5 Å²	40.5	34%	0.342	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.1	176.9	-64.7	-54.1	0	0	0	109.9	G246 Y248 L381 E391	G246-N393 WeakPolarHBondContact CA-O 3.26Å; G246-N393 WeakPolarHBondContact O-CB 3.37Å; Y248-N393 WeakPolarHBondContact CE2-O 3.41Å; L381-N393 WeakPolarHBondContact O-CA 3.04Å; E391-N393 VanDerWaalsContact C-N 3.33Å; E391-N393 PolarHBondContact O-N 2.84Å
394	Y	94.9	Very high	91.5	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.02	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	169.4	172	73.3	-81.3	0	0	0	112.2	V265 Q293 N296 L381 N383 L396	V265-Y394 HydrophobicContact CG2-CD2 3.95Å; V265-Y394 HydrophobicContact CG2-CG 4.24Å; Q293-Y394 HydrophobicContact CG-CD1 4.35Å; Q293-Y394 HydrophobicContact CG-CD2 4.33Å; Q293-Y394 HydrophobicContact CG-CE1 3.79Å; Q293-Y394 HydrophobicContact CG-CE2 3.76Å; Q293-Y394 VanDerWaalsContact CG-CZ 3.47Å; N296-Y394 PolarHBondContact ND2-OH 2.98Å; N296-Y394 VanDerWaalsContact ND2-OH 3.1Å; L381-Y394 HydrophobicContact CB-CD1 3.86Å; L381-Y394 HydrophobicContact CB-CD2 3.94Å; L381-Y394 HydrophobicContact CB-CE1 3.59Å; L381-Y394 HydrophobicContact CB-CE2 3.67Å; L381-Y394 HydrophobicContact CB-CG 4.02Å; L381-Y394 VanDerWaalsContact CB-CZ 3.48Å; L381-Y394 WeakPolarHBondContact CB-O 3.28Å; L381-Y394 HydrophobicContact CD1-CD2 3.97Å; L381-Y394 HydrophobicContact CD1-CE2 3.35Å; L381-Y394 HydrophobicContact CG-CE2 4.17Å; L381-Y394 PolarHBondContact N-O 2.94Å; L381-Y394 WeakPolarHBondContact O-CD1 3.44Å; L381-Y394 PolarHBondContact O-N 3.41Å; N383-Y394 HydrophobicContact CB-CD1 4.02Å; N383-Y394 HydrophobicContact CB-CE1 4.11Å; Y394-L396 HydrophobicContact CD2-CD2 4.03Å; Y394-L396 HydrophobicContact CD2-CG 4.06Å; Y394-L396 HydrophobicContact CE2-CD1 4.04Å; Y394-L396 HydrophobicContact CE2-CD2 4.11Å; Y394-L396 HydrophobicContact CE2-CG 3.91Å
395	A	96.9	Very high	91.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	156.7	171.5	0	0	0	0	0	108.8	Y248 L250 V265 I267 F378	Y248-A395 HydrophobicContact CD1-CB 4.2Å; Y248-A395 HydrophobicContact CD2-CB 4.21Å; Y248-A395 HydrophobicContact CG-CB 3.79Å; L250-A395 HydrophobicContact CD1-CB 4.3Å; L250-A395 HydrophobicContact CD2-CB 4.19Å; V265-A395 WeakPolarHBondContact CG1-O 3.4Å; I267-A395 HydrophobicContact CD1-CB 3.91Å; F378-A395 CarbonylContact O-C 3.58Å; F378-A395 VanDerWaalsContact O-CA 3.26Å; F378-A395 WeakPolarHBondContact O-CA 3.32Å; F378-A395 WeakPolarHBondContact O-CB 3.36Å
396	L	97.3	Very high	92	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124.8	176.6	-57.7	175	0	0	0	107.9	V265 M286 N296 Y297 L300 G377 F378 L381 Y394	V265-L396 HydrophobicContact CG1-CD2 4.08Å; V265-L396 HydrophobicContact CG2-CD2 4.29Å; M286-L396 HydrophobicContact SD-CD2 3.78Å; N296-L396 HydrophobicContact CB-CD1 3.92Å; Y297-L396 HydrophobicContact CD2-CD2 4.28Å; L300-L396 HydrophobicContact CD2-CB 3.6Å; G377-L396 CarbonylContact C-O 3.53Å; G377-L396 WeakPolarHBondContact CA-O 3.43Å; F378-L396 PolarHBondContact N-O 2.57Å; F378-L396 PolarHBondContact O-N 3.32Å; L381-L396 HydrophobicContact CD1-CD1 3.91Å; L381-L396 HydrophobicContact CD1-CG 3.95Å; Y394-L396 HydrophobicContact CD2-CD2 4.03Å; Y394-L396 HydrophobicContact CD2-CG 4.06Å; Y394-L396 HydrophobicContact CE2-CD1 4.04Å; Y394-L396 HydrophobicContact CE2-CD2 4.11Å; Y394-L396 HydrophobicContact CE2-CG 3.91Å
397	W	97.5	Very high	92.4	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	131.9	-179.2	-159.6	26.1	0	0	0	110.3	L250 F252 I267 I282 S284 N375	L250-W397 HydrophobicContact CB-CD2 3.96Å; L250-W397 HydrophobicContact CB-CE3 4.27Å; L250-W397 HydrophobicContact CB-CG 4.27Å; L250-W397 HydrophobicContact CB-CZ2 4.47Å; L250-W397 HydrophobicContact CD1-CB 3.98Å; L250-W397 HydrophobicContact CD1-CG 4.01Å; L250-W397 HydrophobicContact CD2-CB 3.92Å; L250-W397 HydrophobicContact CD2-CD2 4.07Å; L250-W397 HydrophobicContact CD2-CE3 3.99Å; L250-W397 HydrophobicContact CD2-CG 4.1Å; L250-W397 HydrophobicContact CG-CB 4.47Å; L250-W397 HydrophobicContact CG-CD2 4.4Å; L250-W397 HydrophobicContact CG-CG 4.34Å; F252-W397 HydrophobicContact CD1-CH2 4Å; F252-W397 HydrophobicContact CD2-CH2 4.38Å; F252-W397 AromaticContact CE1-CH2 3.68Å; F252-W397 HydrophobicContact CE1-CH2 3.68Å; F252-W397 HydrophobicContact CE1-CZ2 4.1Å; F252-W397 HydrophobicContact CE2-CH2 4.07Å; F252-W397 AromaticContact CE2-CZ2 3.9Å; F252-W397 HydrophobicContact CE2-CZ2 3.9Å; F252-W397 HydrophobicContact CG-CH2 4.36Å; F252-W397 AromaticContact CZ-CH2 3.74Å; F252-W397 HydrophobicContact CZ-CH2 3.74Å; F252-W397 AromaticContact CZ-CZ2 3.67Å; F252-W397 HydrophobicContact CZ-CZ2 3.67Å; I267-W397 HydrophobicContact CD1-CB 4.19Å; I267-W397 HydrophobicContact CG2-CB 4.05Å; I267-W397 HydrophobicContact CG2-CE3 3.95Å; I282-W397 HydrophobicContact CD1-CD2 3.76Å; I282-W397 HydrophobicContact CD1-CE3 3.98Å; I282-W397 HydrophobicContact CD1-CG 4.44Å; I282-W397 HydrophobicContact CD1-CH2 3.78Å; I282-W397 HydrophobicContact CD1-CZ2 3.54Å; I282-W397 HydrophobicContact CD1-CZ3 4Å; I282-W397 HydrophobicContact CG2-CB 4.11Å; I282-W397 HydrophobicContact CG2-CD2 3.77Å; I282-W397 HydrophobicContact CG2-CE3 3.63Å; I282-W397 HydrophobicContact CG2-CG 3.97Å; I282-W397 HydrophobicContact CG2-CZ3 4.33Å; S284-W397 PolarHBondContact N-O 3.08Å; S284-W397 PolarHBondContact OG-N 3.31Å; S284-W397 PolarHBondContact OG-O 2.82Å; N375-W397 PolarHBondContact OD1-NE1 2.71Å
398	L	97.5	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.7	173	-68	-179.6	0	0	0	109.8	Y297 L300 F304 N375 L376 R421	Y297-L398 HydrophobicContact CE2-CD1 4.17Å; Y297-L398 HydrophobicContact CE2-CD2 3.98Å; Y297-L398 HydrophobicContact CE2-CG 4.25Å; Y297-L398 VanDerWaalsContact OH-CD2 3.32Å; Y297-L398 WeakPolarHBondContact OH-CD2 3.44Å; L300-L398 HydrophobicContact CD2-CD1 4.28Å; L300-L398 HydrophobicContact CD2-CG 4.09Å; L300-L398 HydrophobicContact CG-CD1 4.13Å; L300-L398 HydrophobicContact CG-CG 4.41Å; F304-L398 HydrophobicContact CD2-CB 3.74Å; F304-L398 HydrophobicContact CE2-CB 3.75Å; F304-L398 WeakPolarHBondContact CE2-O 3.33Å; N375-L398 CarbonylContact C-O 3.6Å; N375-L398 WeakPolarHBondContact CA-O 3.41Å; N375-L398 WeakPolarHBondContact CB-O 3.28Å; L376-L398 PolarHBondContact N-O 2.81Å; L376-L398 PolarHBondContact O-N 2.77Å; L398-R421 HydrophobicContact CD2-CB 4.44Å
399	G	97.5	Very high	92.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	138.1	-174.6	0	0	0	0	0	111.9	I282 R283 F374	I282-G399 PolarHBondContact N-O 3.21Å; I282-G399 PolarHBondContact O-N 3.1Å; R283-G399 PolarHBondContact NH1-O 3.05Å; F374-G399 CarbonylContact O-C 3.56Å; F374-G399 VanDerWaalsContact O-CA 3.22Å; F374-G399 WeakPolarHBondContact O-CA 3.41Å
400	D	98	Very high	93.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	149.5	-172.3	-82.3	-74.5	0	0	0	110.6	R283 F304 F374 V414 T416 R421	R283-D400 IonicContact CZ-OD1 2.66Å; R283-D400 IonicContact CZ-OD2 3.52Å; R283-D400 IonicContact NH1-OD1 3.48Å; R283-D400 PolarHBondContact NH1-OD1 3.24Å; R283-D400 IonicContact NH1-OD2 2.64Å; R283-D400 PolarHBondContact NH1-OD2 3.12Å; R283-D400 IonicContact NH2-OD1 3.94Å; R283-D400 PolarHBondContact NH2-OD1 3.06Å; R283-D400 IonicContact NH2-OD2 2.84Å; R283-D400 PolarHBondContact NH2-OD2 3.31Å; F304-D400 HydrophobicContact CE1-CB 4.11Å; F304-D400 HydrophobicContact CZ-CB 4.22Å; F374-D400 PolarHBondContact N-O 3.41Å; F374-D400 PolarHBondContact O-N 3.21Å; D400-V414 HydrophobicContact CB-CG1 3.87Å; D400-T416 VanDerWaalsContact CA-OG1 3.31Å; D400-T416 WeakPolarHBondContact CA-OG1 3.49Å; D400-T416 WeakPolarHBondContact CB-OG1 3.19Å; D400-T416 WeakPolarHBondContact OD1-CB 3.3Å; D400-T416 PolarHBondContact OD1-OG1 2.94Å; D400-R421 VanDerWaalsContact CG-NH1 3.32Å; D400-R421 IonicContact OD1-NH1 3.58Å; D400-R421 IonicContact OD2-CZ 3.59Å; D400-R421 IonicContact OD2-NH1 3.74Å; D400-R421 PolarHBondContact OD2-NH1 3.35Å
401	V	97.9	Very high	93.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.9	173.9	176.7	0	0	0	0	110.1	L178 N280 T347 L372 N373 Y415 T416	L178-V401 HydrophobicContact CD2-CG1 3.83Å; L178-V401 HydrophobicContact CG-CG1 4.47Å; N280-V401 HydrophobicContact CB-CG2 3.93Å; T347-V401 HydrophobicContact CG2-CG1 4.1Å; L372-V401 VanDerWaalsContact O-CA 3.29Å; L372-V401 WeakPolarHBondContact O-CA 3.5Å; N373-V401 HydrophobicContact CB-CG2 4.32Å; V401-Y415 PolarHBondContact O-N 2.89Å; V401-T416 HydrophobicContact CB-CG2 4.38Å; V401-T416 PolarHBondContact N-OG1 3.13Å
402	L	96.5	Very high	94	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.3	-178.5	70.9	102.3	0	0	0	113	I308 I311 T371 L372 F374 V404 N412 L413 V414	I308-L402 HydrophobicContact CG1-CD2 4.16Å; I311-L402 HydrophobicContact CD1-CD2 4.4Å; T371-L402 WeakPolarHBondContact CA-O 3.31Å; L372-L402 HydrophobicContact CB-CG 4.35Å; L372-L402 HydrophobicContact CD1-CD1 4.26Å; L372-L402 PolarHBondContact N-O 3.13Å; L372-L402 PolarHBondContact O-N 3.24Å; F374-L402 HydrophobicContact CB-CD2 3.74Å; F374-L402 HydrophobicContact CD1-CD2 4.38Å; F374-L402 HydrophobicContact CG-CD2 4.34Å; L402-V404 HydrophobicContact CD1-CG2 4.15Å; L402-N412 HydrophobicContact CD1-CB 4.18Å; L402-L413 CarbonylContact C-O 3.57Å; L402-L413 WeakPolarHBondContact CA-O 3.45Å; L402-L413 WeakPolarHBondContact CB-O 3.33Å; L402-V414 HydrophobicContact CB-CB 4.28Å; L402-V414 HydrophobicContact CB-CG1 4.45Å; L402-V414 HydrophobicContact CB-CG2 3.91Å
403	A	96.8	Very high	94.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.9	172.5	0	0	0	0	0	111.3	L175 M370 T371 G405 V406 N412 L413 Y415	L175-A403 HydrophobicContact CD2-CB 3.84Å; M370-A403 CarbonylContact O-C 3.46Å; M370-A403 WeakPolarHBondContact O-CA 3.47Å; T371-A403 HydrophobicContact CG2-CB 3.92Å; A403-G405 PolarHBondContact O-N 3.06Å; A403-V406 HydrophobicContact CB-CB 4.47Å; A403-V406 HydrophobicContact CB-CG1 4.24Å; A403-V406 HydrophobicContact CB-CG2 3.39Å; A403-N412 WeakPolarHBondContact O-CA 3.4Å; A403-L413 PolarHBondContact N-O 3.38Å; A403-L413 PolarHBondContact O-N 3.38Å; A403-L413 VanDerWaalsContact O-N 3.07Å; A403-Y415 HydrophobicContact CB-CE2 3.64Å
404	V	96.9	Very high	94.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	119.1	-170.1	-179.9	0	0	0	0	111.5	I311 P313 F366 R368 G369 M370 L372 L402 V406 N412	I311-V404 HydrophobicContact CG2-CG1 4.14Å; I311-V404 HydrophobicContact CG2-CG2 3.67Å; P313-V404 HydrophobicContact CG-CG1 4.11Å; F366-V404 HydrophobicContact CB-CG1 4.39Å; R368-V404 CarbonylContact C-O 3.54Å; R368-V404 WeakPolarHBondContact CA-O 3.4Å; G369-V404 PolarHBondContact N-O 2.81Å; M370-V404 HydrophobicContact CB-CB 4.35Å; M370-V404 HydrophobicContact CB-CG2 4.17Å; M370-V404 PolarHBondContact O-N 2.6Å; L372-V404 HydrophobicContact CD1-CG2 3.68Å; L372-V404 HydrophobicContact CG-CG2 4.06Å; L402-V404 HydrophobicContact CD1-CG2 4.15Å; V404-V406 PolarHBondContact O-N 2.95Å; V404-N412 VanDerWaalsContact CA-OD1 3.3Å; V404-N412 WeakPolarHBondContact CA-OD1 3.33Å
405	G	93.5	Very high	94.5	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	19.1	172.3	0	0	0	0	0	116.2	R368 A403 G410 E411 N412	R368-G405 WeakPolarHBondContact CG-O 3.46Å; R368-G405 PolarHBondContact NE-O 3.4Å; R368-G405 PolarHBondContact NH2-O 3.32Å; A403-G405 PolarHBondContact O-N 3.06Å; G405-G410 WeakPolarHBondContact CA-O 3.35Å; G405-E411 CarbonylContact C-O 3.58Å; G405-E411 VanDerWaalsContact C-O 3.31Å; G405-E411 VanDerWaalsContact CA-O 3.25Å; G405-E411 WeakPolarHBondContact CA-O 3.46Å; G405-N412 PolarHBondContact N-OD1 2.93Å
406	V	92.2	Very high	94.5	Very high	34 Å²	34	28.5 Å²	28.5	21%	0.206	17%	0.165	C	C	.	.			trans	-89.6	-7.2	-177.9	-59.7	0	0	0	0	113.9	L175 A403 V404 E411 L413	L175-V406 HydrophobicContact CD1-CB 4.48Å; L175-V406 HydrophobicContact CD1-CG1 4.05Å; A403-V406 HydrophobicContact CB-CB 4.47Å; A403-V406 HydrophobicContact CB-CG1 4.24Å; A403-V406 HydrophobicContact CB-CG2 3.39Å; V404-V406 PolarHBondContact O-N 2.95Å; V406-E411 PolarHBondContact N-O 2.99Å; V406-L413 HydrophobicContact CG2-CB 4.09Å; V406-L413 HydrophobicContact CG2-CD1 3.87Å; V406-L413 HydrophobicContact CG2-CG 3.9Å
407	G	88.9	Confident	94.2	Very high	3 Å²	3	33 Å²	33	3%	0.031	19%	0.189	C	C	.	.	S	Bend	trans	-67.5	169.8	177.4	0	0	0	0	0	113.8	T409 G410 E411	G407-T409 VanDerWaalsContact C-N 3.27Å; G407-T409 PolarHBondContact O-N 3.25Å; G407-G410 PolarHBondContact O-N 3.44Å; G407-E411 VanDerWaalsContact CA-CD 3.43Å; G407-E411 WeakPolarHBondContact CA-OE1 3.43Å; G407-E411 PolarHBondContact N-O 2.9Å
408	N	86.2	Confident	93.9	Very high	170 Å²	170	37.1 Å²	37.1	91%	0.909	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.1	-168	-75	-23	0	0	0	113.3	E411	N408-E411 PolarHBondContact N-OE1 2.77Å; N408-E411 PolarHBondContact N-OE2 3.3Å
409	T	87.5	Confident	93.8	Very high	131 Å²	131	37.1 Å²	37.1	80%	0.804	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105	7.6	174.1	68.4	0	0	0	0	112.9	G407 E411	G407-T409 VanDerWaalsContact C-N 3.27Å; G407-T409 PolarHBondContact O-N 3.25Å; T409-E411 WeakPolarHBondContact CA-OE2 3.17Å; T409-E411 WeakPolarHBondContact CB-OE2 3.47Å; T409-E411 PolarHBondContact N-OE2 3.08Å; T409-E411 PolarHBondContact OG1-OE2 3.26Å
410	G	87.9	Confident	93.6	Very high	42 Å²	42	44.1 Å²	44.1	43%	0.433	25%	0.245	S	C	.	.	S	Bend	trans	87.5	13.7	-174.5	0	0	0	0	0	114.4	G405 G407	G405-G410 WeakPolarHBondContact CA-O 3.35Å; G407-G410 PolarHBondContact O-N 3.44Å
411	E	92.2	Very high	93.4	Very high	72 Å²	72	44.9 Å²	44.9	34%	0.336	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-74.4	167.3	174	75.4	-74.8	176.9	0	0	113.1	G405 V406 G407 N408 T409 L413	G405-E411 CarbonylContact C-O 3.58Å; G405-E411 VanDerWaalsContact C-O 3.31Å; G405-E411 VanDerWaalsContact CA-O 3.25Å; G405-E411 WeakPolarHBondContact CA-O 3.46Å; V406-E411 PolarHBondContact N-O 2.99Å; G407-E411 VanDerWaalsContact CA-CD 3.43Å; G407-E411 WeakPolarHBondContact CA-OE1 3.43Å; G407-E411 PolarHBondContact N-O 2.9Å; N408-E411 PolarHBondContact N-OE1 2.77Å; N408-E411 PolarHBondContact N-OE2 3.3Å; T409-E411 WeakPolarHBondContact CA-OE2 3.17Å; T409-E411 WeakPolarHBondContact CB-OE2 3.47Å; T409-E411 PolarHBondContact N-OE2 3.08Å; T409-E411 PolarHBondContact OG1-OE2 3.26Å; E411-L413 HydrophobicContact CG-CD2 4.49Å
412	N	95.6	Very high	93.2	Very high	27 Å²	27	53.5 Å²	53.5	14%	0.144	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-82.7	128.9	173.4	-65.3	-26.1	0	0	0	110.1	I308 I311 L402 A403 V404 G405	I308-N412 HydrophobicContact CG2-CB 4.18Å; I308-N412 PolarHBondContact O-ND2 2.88Å; I311-N412 PolarHBondContact O-ND2 2.95Å; L402-N412 HydrophobicContact CD1-CB 4.18Å; A403-N412 WeakPolarHBondContact O-CA 3.4Å; V404-N412 VanDerWaalsContact CA-OD1 3.3Å; V404-N412 WeakPolarHBondContact CA-OD1 3.33Å; G405-N412 PolarHBondContact N-OD1 2.93Å
413	L	95.2	Very high	93	Very high	63 Å²	63	55 Å²	55	33%	0.33	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	116.7	172.4	-63.2	-172.9	0	0	0	109.3	L402 A403 V406 E411 Y415	L402-L413 CarbonylContact C-O 3.57Å; L402-L413 WeakPolarHBondContact CA-O 3.45Å; L402-L413 WeakPolarHBondContact CB-O 3.33Å; A403-L413 PolarHBondContact N-O 3.38Å; A403-L413 PolarHBondContact O-N 3.38Å; A403-L413 VanDerWaalsContact O-N 3.07Å; V406-L413 HydrophobicContact CG2-CB 4.09Å; V406-L413 HydrophobicContact CG2-CD1 3.87Å; V406-L413 HydrophobicContact CG2-CG 3.9Å; E411-L413 HydrophobicContact CG-CD2 4.49Å; L413-Y415 HydrophobicContact CB-CE1 4.23Å
414	V	96.5	Very high	92.7	Very high	23 Å²	23	60.3 Å²	60.3	14%	0.139	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	107.5	175.3	-174.5	0	0	0	0	108.1	I308 D400 L402 T416 L417	I308-V414 HydrophobicContact CD1-CG2 4.1Å; I308-V414 HydrophobicContact CG2-CG2 3.98Å; D400-V414 HydrophobicContact CB-CG1 3.87Å; L402-V414 HydrophobicContact CB-CB 4.28Å; L402-V414 HydrophobicContact CB-CG1 4.45Å; L402-V414 HydrophobicContact CB-CG2 3.91Å; V414-T416 VanDerWaalsContact C-N 3.34Å; V414-T416 PolarHBondContact O-N 3.35Å; V414-L417 HydrophobicContact CB-CD1 3.99Å; V414-L417 HydrophobicContact CB-CD2 4.24Å; V414-L417 HydrophobicContact CB-CG 3.8Å; V414-L417 HydrophobicContact CG1-CD2 3.97Å; V414-L417 HydrophobicContact CG1-CG 3.8Å
415	Y	96.2	Very high	92.3	Very high	31 Å²	31	61.6 Å²	61.6	12%	0.122	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-21.8	-171	-64.8	-60.8	0	0	0	113.5	L178 K179 V401 A403 L413	L178-Y415 HydrophobicContact CD2-CD2 3.5Å; L178-Y415 HydrophobicContact CD2-CE2 3.57Å; K179-Y415 HydrophobicContact CB-CD1 4.01Å; K179-Y415 HydrophobicContact CB-CE1 4.09Å; K179-Y415 HydrophobicContact CD-CD1 4.3Å; K179-Y415 HydrophobicContact CD-CE1 4.4Å; K179-Y415 HydrophobicContact CG-CD1 3.77Å; K179-Y415 HydrophobicContact CG-CE1 4.15Å; K179-Y415 HydrophobicContact CG-CG 4.48Å; V401-Y415 PolarHBondContact O-N 2.89Å; A403-Y415 HydrophobicContact CB-CE2 3.64Å; L413-Y415 HydrophobicContact CB-CE1 4.23Å
416	T	96	Very high	92.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	16.4	-173.2	47.5	0	0	0	0	115.1	C182 C186 R283 D400 V401 V414 T418 A419	C182-T416 HydrophobicContact CB-CG2 3.72Å; C186-T416 VanDerWaalsContact SG-CA 3.52Å; C186-T416 PolarHBondContact SG-O 3.15Å; C186-T416 VanDerWaalsContact SG-O 3.42Å; R283-T416 PolarHBondContact NH2-O 2.9Å; D400-T416 VanDerWaalsContact CA-OG1 3.31Å; D400-T416 WeakPolarHBondContact CA-OG1 3.49Å; D400-T416 WeakPolarHBondContact CB-OG1 3.19Å; D400-T416 WeakPolarHBondContact OD1-CB 3.3Å; D400-T416 PolarHBondContact OD1-OG1 2.94Å; V401-T416 HydrophobicContact CB-CG2 4.38Å; V401-T416 PolarHBondContact N-OG1 3.13Å; V414-T416 VanDerWaalsContact C-N 3.34Å; V414-T416 PolarHBondContact O-N 3.35Å; T416-T418 PolarHBondContact O-N 3.1Å; T416-A419 PolarHBondContact O-N 3.48Å
417	L	92.8	Very high	92.1	Very high	95 Å²	95	60.4 Å²	60.4	50%	0.497	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.8	178.9	-72.5	174.5	0	0	0	114.3	V414 A419	V414-L417 HydrophobicContact CB-CD1 3.99Å; V414-L417 HydrophobicContact CB-CD2 4.24Å; V414-L417 HydrophobicContact CB-CG 3.8Å; V414-L417 HydrophobicContact CG1-CD2 3.97Å; V414-L417 HydrophobicContact CG1-CG 3.8Å; L417-A419 CarbonylContact O-C 3.58Å; L417-A419 PolarHBondContact O-N 2.88Å
418	T	91.2	Very high	92.1	Very high	87 Å²	87	61 Å²	61	53%	0.534	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-38.6	178.4	-51.6	0	0	0	0	111.7	C186 T416 K420	C186-T418 HydrophobicContact CB-CG2 4.26Å; T416-T418 PolarHBondContact O-N 3.1Å; T418-K420 PolarHBondContact O-N 3.19Å
419	A	93.9	Very high	92.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-74.4	90.1	166.8	0	0	0	0	0	109.6	C186 F189 V281 R283 T416 L417 R421	C186-A419 HydrophobicContact CB-CB 4.31Å; F189-A419 HydrophobicContact CD1-CB 3.67Å; F189-A419 HydrophobicContact CE1-CB 4.28Å; F189-A419 HydrophobicContact CG-CB 4.42Å; V281-A419 HydrophobicContact CG2-CB 3.88Å; R283-A419 PolarHBondContact NE-O 3.05Å; R283-A419 PolarHBondContact NH2-O 3.27Å; T416-A419 PolarHBondContact O-N 3.48Å; L417-A419 CarbonylContact O-C 3.58Å; L417-A419 PolarHBondContact O-N 2.88Å; A419-R421 PolarHBondContact O-N 2.82Å
420	K	93.9	Very high	91.7	Very high	147 Å²	147	52.8 Å²	52.8	64%	0.639	26%	0.262	S	S	*	.			trans	-53.7	128.3	-171.7	-61.9	171.1	-175.2	168.8	0	113	T418	T418-K420 PolarHBondContact O-N 3.19Å
421	R	94.6	Very high	90.6	Very high	16 Å²	16	54.5 Å²	54.5	6%	0.06	26%	0.257	C	S	.	.			trans	-106.7	-2.5	175.9	68.3	168.6	178.6	-113.8	-3.5	116.2	Y297 H301 D305 L398 D400 A419	Y297-R421 WeakPolarHBondContact CE1-O 3.47Å; Y297-R421 PolarHBondContact OH-O 3.38Å; H301-R421 PolarHBondContact CD2-O 2.74Å; H301-R421 VanDerWaalsContact CD2-O 3.28Å; D305-R421 IonicContact OD1-CZ 2.7Å; D305-R421 IonicContact OD1-NE 3.67Å; D305-R421 IonicContact OD1-NH2 3.6Å; D305-R421 PolarHBondContact OD1-NH2 2.88Å; L398-R421 HydrophobicContact CD2-CB 4.44Å; D400-R421 VanDerWaalsContact CG-NH1 3.32Å; D400-R421 IonicContact OD1-NH1 3.58Å; D400-R421 IonicContact OD2-CZ 3.59Å; D400-R421 IonicContact OD2-NH1 3.74Å; D400-R421 PolarHBondContact OD2-NH1 3.35Å; A419-R421 PolarHBondContact O-N 2.82Å
422	R	93.8	Very high	88.9	Confident	181 Å²	181	57.9 Å²	57.9	68%	0.683	27%	0.273	S	S	*	.	S	Bend	trans	-62.9	147.3	-178.1	-68.7	-179.2	178	172.4	-0.3	111	K424 S425	R422-K424 VanDerWaalsContact C-N 3.33Å; R422-K424 PolarHBondContact O-N 2.95Å; R422-S425 WeakPolarHBondContact O-CB 3.44Å; R422-S425 PolarHBondContact O-N 2.77Å
423	P	91.2	Very high	86.4	Confident	32 Å²	32	59.9 Å²	59.9	21%	0.208	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-50.8	-46.4	-177.3	-27.7	33	0	0	0	113.9	Y297 T298 S425 I426 S427	Y297-P423 HydrophobicContact CD1-CB 4.11Å; Y297-P423 HydrophobicContact CD1-CG 3.96Å; Y297-P423 HydrophobicContact CE1-CB 4.33Å; Y297-P423 HydrophobicContact CE1-CG 4.06Å; T298-P423 HydrophobicContact CG2-CG 4.34Å; P423-S425 PolarHBondContact O-N 3.3Å; P423-I426 WeakPolarHBondContact O-CG1 3.48Å; P423-I426 PolarHBondContact O-N 2.69Å; P423-S427 PolarHBondContact O-N 2.93Å; P423-S427 PolarHBondContact O-OG 3.31Å
424	K	90	Very high	83.7	Confident	112 Å²	112	65.9 Å²	65.9	49%	0.487	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-65.7	-7.3	177.3	-52.1	-170.3	178.4	-177.4	0	115.1	R422 A490 L494	R422-K424 VanDerWaalsContact C-N 3.33Å; R422-K424 PolarHBondContact O-N 2.95Å; K424-A490 PolarHBondContact NZ-O 3.47Å; K424-L494 HydrophobicContact CB-CB 4.08Å; K424-L494 HydrophobicContact CB-CD1 3.46Å; K424-L494 VanDerWaalsContact CB-CD1 3.46Å; K424-L494 HydrophobicContact CB-CG 4.35Å; K424-L494 HydrophobicContact CD-CD1 4.06Å; K424-L494 HydrophobicContact CG-CD1 4.41Å; K424-L494 WeakPolarHBondContact O-CB 3.02Å; K424-L494 WeakPolarHBondContact O-CD1 3.11Å
425	S	88.5	Confident	80.8	Confident	27 Å²	27	73 Å²	73	19%	0.189	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-103.8	-6.3	179.6	-58.4	0	0	0	0	113.9	K194 R422 P423	K194-S425 PolarHBondContact NZ-O 3.31Å; R422-S425 WeakPolarHBondContact O-CB 3.44Å; R422-S425 PolarHBondContact O-N 2.77Å; P423-S425 PolarHBondContact O-N 3.3Å
426	I	91.5	Very high	77.8	Confident	1 Å²	1	80.5 Å²	80.5	1%	0.005	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-21.8	-175	61.1	87.3	0	0	0	113.2	L285 M286 Y297 P423	L285-I426 HydrophobicContact CD2-CB 4.15Å; L285-I426 HydrophobicContact CD2-CG2 4.15Å; M286-I426 HydrophobicContact CE-CD1 3.75Å; M286-I426 HydrophobicContact CG-CD1 4Å; M286-I426 PolarHBondContact N-O 3.37Å; M286-I426 HydrophobicContact SD-CD1 4.37Å; Y297-I426 HydrophobicContact CD1-CD1 3.66Å; Y297-I426 HydrophobicContact CD1-CG1 4.26Å; Y297-I426 HydrophobicContact CD2-CD1 3.81Å; Y297-I426 HydrophobicContact CE1-CD1 3.51Å; Y297-I426 HydrophobicContact CE1-CG1 3.62Å; Y297-I426 HydrophobicContact CE2-CD1 3.64Å; Y297-I426 HydrophobicContact CE2-CG1 4.08Å; Y297-I426 HydrophobicContact CG-CD1 3.83Å; Y297-I426 VanDerWaalsContact CZ-CD1 3.5Å; P423-I426 WeakPolarHBondContact O-CG1 3.48Å; P423-I426 PolarHBondContact O-N 2.69Å
427	S	90.5	Very high	75	Confident	8 Å²	8	87.4 Å²	87.4	6%	0.056	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	135	168.8	-61.8	0	0	0	0	110.8	M286 P423 Y429	M286-S427 CarbonylContact O-C 3.52Å; M286-S427 WeakPolarHBondContact O-CA 3.48Å; P423-S427 PolarHBondContact O-N 2.93Å; P423-S427 PolarHBondContact O-OG 3.31Å; S427-Y429 VanDerWaalsContact CB-CE2 3.48Å
428	L	89.9	Confident	72.2	Confident	16 Å²	16	92.3 Å²	92.3	8%	0.084	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	77.2	-169.4	-59.1	172.5	0	0	0	110.8	M198 L285 M286 V287 N288 I430 R496	M198-L428 HydrophobicContact SD-CD2 4.42Å; L285-L428 HydrophobicContact CB-CD1 4.41Å; M286-L428 PolarHBondContact O-N 3.34Å; V287-L428 WeakPolarHBondContact CA-O 3.4Å; N288-L428 PolarHBondContact N-O 2.86Å; L428-I430 PolarHBondContact O-N 3.05Å; L428-I430 VanDerWaalsContact O-N 3.09Å; L428-R496 VanDerWaalsContact CB-NH1 3.33Å
429	Y	86.1	Confident	69.5	Low	90 Å²	90	96.4 Å²	96.4	35%	0.353	45%	0.446	S	S	.	.			trans	-74.7	70.9	-170	-60.6	-88.8	0	0	0	116	N288 P289 S427 K431 R496 G497	N288-Y429 WeakPolarHBondContact OD1-CA 3.06Å; P289-Y429 HydrophobicContact CG-CD1 4.36Å; P289-Y429 HydrophobicContact CG-CE1 3.71Å; S427-Y429 VanDerWaalsContact CB-CE2 3.48Å; Y429-K431 PolarHBondContact O-N 3.04Å; Y429-R496 CarbonylContact O-C 3.53Å; Y429-R496 VanDerWaalsContact O-CA 3.32Å; Y429-R496 WeakPolarHBondContact O-CA 3.28Å; Y429-R496 VanDerWaalsContact O-CB 3.22Å; Y429-R496 WeakPolarHBondContact O-CB 3.46Å; Y429-G497 WeakPolarHBondContact O-CA 3.48Å; Y429-G497 PolarHBondContact O-N 3.24Å
430	I	78.7	Confident	66.7	Low	39 Å²	39	105.5 Å²	105.5	20%	0.2	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-49.4	127.6	174	-31.4	174.3	0	0	0	110	I201 F263 V287 N288 L428 E432 R500	I201-I430 HydrophobicContact CG2-CD1 3.41Å; I201-I430 VanDerWaalsContact CG2-CD1 3.41Å; I201-I430 HydrophobicContact CG2-CG1 4.09Å; F263-I430 HydrophobicContact CD2-CD1 4.49Å; V287-I430 HydrophobicContact CG1-CD1 3.65Å; V287-I430 HydrophobicContact CG1-CG1 3.64Å; N288-I430 PolarHBondContact ND2-O 3.49Å; N288-I430 PolarHBondContact OD1-N 3.42Å; N288-I430 PolarHBondContact OD1-O 3.38Å; N288-I430 VanDerWaalsContact OD1-O 3.09Å; L428-I430 PolarHBondContact O-N 3.05Å; L428-I430 VanDerWaalsContact O-N 3.09Å; I430-E432 PolarHBondContact O-N 2.98Å; I430-R500 HydrophobicContact CG2-CB 4.36Å
431	K	64.8	Low	63.9	Low	77 Å²	77	106.1 Å²	106.1	34%	0.335	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-66.1	130.3	162.9	-109.4	176.6	-154	168.6	0	107.1	Y429 R496 G497 R500 A501	Y429-K431 PolarHBondContact O-N 3.04Å; K431-R496 PolarHBondContact N-O 2.84Å; K431-G497 VanDerWaalsContact CD-O 3.28Å; K431-G497 WeakPolarHBondContact CD-O 3.16Å; K431-G497 WeakPolarHBondContact CE-O 3.23Å; K431-R500 HydrophobicContact CB-CB 3.64Å; K431-R500 WeakPolarHBondContact O-CB 3.22Å; K431-R500 WeakPolarHBondContact O-CD 3.47Å; K431-A501 HydrophobicContact CD-CB 3.5Å; K431-A501 VanDerWaalsContact CD-CB 3.5Å; K431-A501 VanDerWaalsContact NZ-CB 3.29Å; K431-A501 PolarHBondContact NZ-O 3.21Å
432	E	56.1	Low	61.1	Low	143 Å²	143	113.8 Å²	113.8	67%	0.668	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-78.7	126	160.4	-75.1	146.7	-136.2	0	0	105.1	N288 I430	N288-E432 PolarHBondContact ND2-OE1 2.67Å; I430-E432 PolarHBondContact O-N 2.98Å
433	E	43.9	Very low	58.3	Low	69 Å²	69	113.8 Å²	113.8	32%	0.322	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-67.5	129.1	160.1	-77.7	147.8	-156.9	0	0	104.9	E435 R500 E504	E433-E435 PolarHBondContact O-N 2.89Å; E433-E435 VanDerWaalsContact O-N 3.15Å; E433-R500 HydrophobicContact CG-CG 4.46Å; E433-R500 WeakPolarHBondContact OE1-CD 3.2Å; E433-R500 VanDerWaalsContact OE1-CG 3.23Å; E433-R500 WeakPolarHBondContact OE1-CG 3.47Å; E433-R500 IonicContact OE1-CZ 3.08Å; E433-R500 IonicContact OE1-NE 2.65Å; E433-R500 PolarHBondContact OE1-NE 3.27Å; E433-R500 IonicContact OE1-NH2 3.01Å; E433-R500 IonicContact OE2-CZ 3.58Å; E433-R500 IonicContact OE2-NE 3.5Å; E433-R500 PolarHBondContact OE2-NE 3.28Å; E433-R500 IonicContact OE2-NH2 3.71Å; E433-R500 PolarHBondContact OE2-NH2 3.49Å; E433-E504 HydrophobicContact CG-CG 4.39Å
434	E	37.8	Very low	55.7	Low	189 Å²	189	120 Å²	120	88%	0.883	57%	0.57	S	S	*	*			trans	-71.6	109.5	177	-68.4	-178.6	152.9	0	0	107	E436	E434-E436 PolarHBondContact O-N 2.92Å
435	E	36	Very low	53.2	Low	172 Å²	172	119.8 Å²	119.8	80%	0.804	58%	0.578	S	S	*	*			trans	-58.2	118.6	169.1	-67.6	176.6	137.2	0	0	106.9	E433 D437	E433-E435 PolarHBondContact O-N 2.89Å; E433-E435 VanDerWaalsContact O-N 3.15Å; E435-D437 VanDerWaalsContact C-N 3.31Å; E435-D437 PolarHBondContact O-N 3.17Å
436	E	32.9	Very low	50.7	Low	189 Å²	189	129.2 Å²	129.2	88%	0.883	61%	0.609	S	S	*	*			trans	-70	92.1	175.2	-70.3	-168.1	136	0	0	108	E434 E438	E434-E436 PolarHBondContact O-N 2.92Å; E436-E438 PolarHBondContact O-N 2.83Å
437	D	37.5	Very low	48.1	Very low	146 Å²	146	137 Å²	137	78%	0.781	65%	0.65	S	S	*	*			trans	-58.2	94.1	179.5	-77.6	-42.3	0	0	0	110.9	E435 E439	E435-D437 VanDerWaalsContact C-N 3.31Å; E435-D437 PolarHBondContact O-N 3.17Å; D437-E439 PolarHBondContact O-N 2.93Å
438	E	33	Very low	45.7	Very low	198 Å²	198	141.2 Å²	141.2	93%	0.925	69%	0.686	S	S	*	*			trans	-71.5	67.1	171.5	-69.5	-165.7	141.7	0	0	111.8	E436	E436-E438 PolarHBondContact O-N 2.83Å
439	E	35.9	Very low	43.1	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.804	72%	0.72	S	S	*	*			trans	-126.6	156	170.9	-68.5	-159.5	152	0	0	113.7	D437	D437-E439 PolarHBondContact O-N 2.93Å
440	E	35.1	Very low	40.9	Very low	192 Å²	192	148.5 Å²	148.5	90%	0.897	74%	0.741	S	S	*	*			trans	71.5	68.3	174.1	-54.3	-162.1	159.2	0	0	117.8
441	D	33.9	Very low	39	Very low	160 Å²	160	156.1 Å²	156.1	86%	0.856	77%	0.767	S	S	*	*			trans	-67.8	165.6	146.3	-138.3	-23	0	0	0	111.2
442	E	36.5	Very low	37.7	Very low	176 Å²	176	158.4 Å²	158.4	82%	0.822	78%	0.783	S	S	*	*			trans	86.9	129	171.8	-51.1	-156.1	139.8	0	0	121.8
443	E	34.3	Very low	36.8	Very low	181 Å²	181	157.3 Å²	157.3	85%	0.846	79%	0.786	S	S	*	*			trans	56.2	114.7	158.8	-55.7	-160	143	0	0	121
444	E	36.1	Very low	36.5	Very low	164 Å²	164	159.2 Å²	159.2	77%	0.766	81%	0.807	S	S	*	*				-166.4	140.9	54.5	-89.5	-151.3	114.3	0	0	116.2
445	T	37.8	Very low	36.5	Very low	106 Å²	106	157 Å²	157	65%	0.65	80%	0.801	S	S	*	*			trans	55.6	89.2	140.3	72.4	0	0	0	0	125.6
446	R	35.6	Very low	36.5	Very low	226 Å²	226	158.6 Å²	158.6	85%	0.853	80%	0.8	S	S	*	*				54.2	132.6	117.3	-64.1	174.9	-179.9	174	2.5	123.9
447	N	38.3	Very low	36.6	Very low	163 Å²	163	156.9 Å²	156.9	87%	0.872	80%	0.797	S	S	*	*			trans	76.8	135.4	154.7	-59.1	-34.3	0	0	0	117.9
448	A	38.7	Very low	37	Very low	98 Å²	98	155.2 Å²	155.2	81%	0.81	79%	0.794	S	S	*	*			cis	-149	149.4	2.2	0	0	0	0	0	108.7
449	G	36.7	Very low	37.1	Very low	76 Å²	76	154.2 Å²	154.2	78%	0.784	79%	0.789	S	S	*	*				89.1	135.2	63.6	0	0	0	0	0	111.5
450	K	39.6	Very low	37.1	Very low	183 Å²	183	151.8 Å²	151.8	80%	0.796	79%	0.791	S	S	*	*			cis	-174.3	160.9	0.4	-165.1	175	-176.1	165.2	0	108.4
451	R	37.9	Very low	37.2	Very low	199 Å²	199	146.3 Å²	146.3	75%	0.751	78%	0.778	S	S	*	*			trans	80.1	152.4	164.4	-55.4	-169.7	174.1	119.8	-3.3	119.3
452	D	38.7	Very low	37.4	Very low	124 Å²	124	150.4 Å²	150.4	66%	0.663	78%	0.782	S	S	*	*			cis	-158.9	137.1	-22	-95.7	-24.1	0	0	0	111.8
453	T	36.8	Very low	37.3	Very low	121 Å²	121	147 Å²	147	74%	0.742	78%	0.778	S	S	*	*			trans	17	136.6	148.8	68.9	0	0	0	0	123.6
454	S	38	Very low	37.4	Very low	108 Å²	108	142 Å²	142	76%	0.755	77%	0.767	S	S	*	*				139.2	107.1	105.4	77.3	0	0	0	0	119.7
455	N	36.8	Very low	37.3	Very low	142 Å²	142	142 Å²	142	76%	0.759	77%	0.773	S	S	*	*				78.4	147.5	118.1	-142.5	-1.5	0	0	0	124.5
456	R	36.8	Very low	37	Very low	207 Å²	207	140.3 Å²	140.3	78%	0.781	78%	0.776	S	S	*	*			trans	85.6	101.4	154.4	-80.4	173.3	-178.8	-177.4	-1.2	124.6
457	N	35.6	Very low	36.9	Very low	153 Å²	153	136 Å²	136	82%	0.818	78%	0.775	S	S	*	*				75.2	156.6	119.2	-77.4	32.2	0	0	0	123.6
458	P	45.3	Very low	36.7	Very low	110 Å²	110	133.4 Å²	133.4	71%	0.714	77%	0.769	S	S	*	*			trans	-132.8	-166.9	-154.8	40.6	-20.2	0	0	0	115.9
459	Q	34.9	Very low	36.4	Very low	177 Å²	177	134 Å²	134	83%	0.827	77%	0.774	S	S	*	*			trans	124.6	149.4	151.1	-68.3	-168.8	-10.8	0	0	117.5
460	S	36.2	Very low	36.2	Very low	121 Å²	121	134.2 Å²	134.2	85%	0.846	78%	0.776	S	S	*	*			trans	75.7	148.9	164.2	80	0	0	0	0	118.7
461	A	37.2	Very low	35.8	Very low	77 Å²	77	129.8 Å²	129.8	64%	0.636	77%	0.774	S	S	*	*			cis	-173.1	164.9	-23.3	0	0	0	0	0	111.3
462	R	36.6	Very low	35.5	Very low	246 Å²	246	127.8 Å²	127.8	93%	0.928	78%	0.776	S	S	*	*			trans	69.7	158.8	156.4	-72.9	165.8	-177.7	176.3	0.5	117.4
463	S	35.8	Very low	35.2	Very low	106 Å²	106	126.6 Å²	126.6	74%	0.741	78%	0.778	S	S	*	*			cis	-174.6	139.2	-18.3	174.4	0	0	0	0	113.5
464	A	36.2	Very low	35.1	Very low	74 Å²	74	130.8 Å²	130.8	61%	0.612	79%	0.786	S	S	*	*			trans	64.8	129.4	141.6	0	0	0	0	0	125.9
465	N	33	Very low	34.7	Very low	166 Å²	166	134.9 Å²	134.9	89%	0.888	79%	0.79	S	S	*	*				80.3	129.2	127	-66.5	0.8	0	0	0	125.7
466	G	31.8	Very low	34.4	Very low	69 Å²	69	136.7 Å²	136.7	71%	0.711	79%	0.794	S	S	*	*			trans	104.4	150	139.9	0	0	0	0	0	118.3
467	T	35	Very low	34.1	Very low	136 Å²	136	132.2 Å²	132.2	83%	0.834	79%	0.794	S	S	*	*			cis	-166.4	142.7	-9	2.9	0	0	0	0	113.2
468	S	33.2	Very low	34	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	79%	0.792	S	S	*	*			trans	61.8	121.8	142.6	66.9	0	0	0	0	125.7
469	A	31.7	Very low	33.4	Very low	110 Å²	110	132.5 Å²	132.5	91%	0.909	80%	0.795	S	S	*	*				66.5	138.1	128.7	0	0	0	0	0	123.4
470	G	32.6	Very low	33.2	Very low	81 Å²	81	131.8 Å²	131.8	84%	0.835	80%	0.797	S	S	*	*			trans	-178.4	35.1	179.6	0	0	0	0	0	121.9
471	A	31.1	Very low	32.9	Very low	90 Å²	90	129.6 Å²	129.6	74%	0.744	79%	0.793	S	S	*	*			trans	12.3	131.6	159.6	0	0	0	0	0	125
472	I	32.8	Very low	32.5	Very low	157 Å²	157	134.4 Å²	134.4	81%	0.805	81%	0.808	S	S	*	*			trans	85.7	111.3	136.3	-63.8	165.6	0	0	0	122.4
473	S	31	Very low	32.1	Very low	100 Å²	100	125.8 Å²	125.8	70%	0.699	80%	0.796	S	S	*	*			trans	7.6	142.5	152.1	76.2	0	0	0	0	124.4
474	K	35.1	Very low	31.8	Very low	208 Å²	208	126.9 Å²	126.9	90%	0.904	80%	0.804	S	S	*	*				-165.4	163.2	111.4	-108.5	166.6	-175	172.3	0	113.9
475	K	29.4	Very low	31.5	Very low	195 Å²	195	128.2 Å²	128.2	85%	0.848	82%	0.815	S	S	*	*			trans	-83.2	143.6	178.3	-58.4	172.9	176.5	179.4	0	111.6
476	Q	30.8	Very low	31.2	Very low	180 Å²	180	123.6 Å²	123.6	84%	0.841	81%	0.807	S	S	*	*				170.4	155.3	112.4	-96	179.5	-34.4	0	0	114.7
477	S	30.6	Very low	31.3	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	80%	0.802	S	S	*	*			trans	59.5	125.4	156.7	51.3	0	0	0	0	121.4
478	I	33.2	Very low	31.2	Very low	151 Å²	151	125.7 Å²	125.7	77%	0.774	80%	0.8	S	S	*	*			trans	-86.7	145.1	163.5	-56.8	159.9	0	0	0	108.9
479	P	33.6	Very low	31.2	Very low	119 Å²	119	124.6 Å²	124.6	77%	0.773	80%	0.797	S	S	*	*				-132.4	156.2	128.9	36.5	-27.2	0	0	0	112.9
480	N	31.1	Very low	31.3	Very low	162 Å²	162	122 Å²	122	87%	0.866	78%	0.776	S	S	*	*			trans	-71.2	144.1	-177.9	-60.4	-18.2	0	0	0	112.2
481	G	28.8	Very low	31.5	Very low	75 Å²	75	124.9 Å²	124.9	77%	0.773	77%	0.768	S	S	*	*			trans	-164.9	126	173.6	0	0	0	0	0	111.9
482	D	28.4	Very low	31.8	Very low	177 Å²	177	127.8 Å²	127.8	95%	0.947	77%	0.766	S	S	*	*			trans	-34.5	140.9	177.8	-156	-5.5	0	0	0	116.4
483	G	29.6	Very low	32.3	Very low	66 Å²	66	126.9 Å²	126.9	68%	0.68	76%	0.761	S	S	*	*			trans	-178.5	99	-175.1	0	0	0	0	0	116	A485	G483-A485 PolarHBondContact O-N 3.05Å
484	S	28.1	Very low	32.7	Very low	129 Å²	129	126.2 Å²	126.2	90%	0.902	75%	0.749	S	S	*	*			trans	-80	74.3	-179.5	60.1	0	0	0	0	113.8
485	A	29.6	Very low	32.7	Very low	102 Å²	102	117.6 Å²	117.6	84%	0.843	72%	0.719	S	S	*	*			trans	-156.4	102.7	169.4	0	0	0	0	0	111.8	G483	G483-A485 PolarHBondContact O-N 3.05Å
486	G	28.6	Very low	33.2	Very low	69 Å²	69	109 Å²	109	71%	0.711	68%	0.681	S	S	*	*			trans	169.6	8.1	177.9	0	0	0	0	0	119.1
487	V	32.1	Very low	33.4	Very low	100 Å²	100	101.1 Å²	101.1	61%	0.606	65%	0.649	S	S	*	*			trans	-79.9	-30.7	-173.5	-172.1	0	0	0	0	112.8	A489	V487-A489 VanDerWaalsContact C-N 3.26Å; V487-A489 PolarHBondContact O-N 2.71Å
488	N	32.9	Very low	33.6	Very low	149 Å²	149	99.7 Å²	99.7	80%	0.797	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	10.1	-164.4	-62.5	20.8	0	0	0	116.2
489	A	34.3	Very low	33.8	Very low	85 Å²	85	98.1 Å²	98.1	70%	0.702	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	6.2	-178.6	0	0	0	0	0	114	V487	V487-A489 VanDerWaalsContact C-N 3.26Å; V487-A489 PolarHBondContact O-N 2.71Å
490	A	33.6	Very low	33.9	Very low	56 Å²	56	97.2 Å²	97.2	46%	0.463	60%	0.595	S	S	.	*	S	Bend	trans	-128.3	18.4	-177.3	0	0	0	0	0	112.9	K424	K424-A490 PolarHBondContact NZ-O 3.47Å
491	Q	37.7	Very low	34.2	Very low	141 Å²	141	89.7 Å²	89.7	66%	0.659	56%	0.555	S	S	*	*	S	Bend	trans	-117.2	-15.1	-168.1	-162.5	151.1	-28.3	0	0	113.8
492	E	35.4	Very low	34.6	Very low	151 Å²	151	87.7 Å²	87.7	71%	0.706	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-19.7	-176.7	-63.1	168.3	130.3	0	0	114.2
493	I	44.9	Very low	35	Very low	137 Å²	137	83.5 Å²	83.5	70%	0.703	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-17.6	-161.9	-57	174.9	0	0	0	113.6
494	L	39.6	Very low	35.3	Very low	87 Å²	87	85.3 Å²	85.3	46%	0.455	49%	0.494	S	S	.	.	S	Bend	trans	-138.8	47.5	-161.9	-69.7	168.7	0	0	0	114.5	K424	K424-L494 HydrophobicContact CB-CB 4.08Å; K424-L494 HydrophobicContact CB-CD1 3.46Å; K424-L494 VanDerWaalsContact CB-CD1 3.46Å; K424-L494 HydrophobicContact CB-CG 4.35Å; K424-L494 HydrophobicContact CD-CD1 4.06Å; K424-L494 HydrophobicContact CG-CD1 4.41Å; K424-L494 WeakPolarHBondContact O-CB 3.02Å; K424-L494 WeakPolarHBondContact O-CD1 3.11Å
495	G	33.8	Very low	35.8	Very low	26 Å²	26	83.4 Å²	83.4	27%	0.268	47%	0.471	S	S	.	.			trans	-144.9	126.7	170.4	0	0	0	0	0	113.5	G497 H498	G495-G497 PolarHBondContact O-N 2.97Å; G495-H498 CarbonylContact O-C 3.6Å; G495-H498 VanDerWaalsContact O-CA 3.28Å; G495-H498 WeakPolarHBondContact O-CA 3.32Å; G495-H498 WeakPolarHBondContact O-CB 3.34Å; G495-H498 PolarHBondContact O-N 2.75Å
496	R	40.7	Very low	36.3	Very low	14 Å²	14	82 Å²	82	5%	0.053	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	3.3	171.4	-85.2	-173.1	175.8	146.9	-6.4	114.3	M198 D202 L428 Y429 K431 H498 R499 R500	M198-R496 PolarHBondContact O-NH2 2.97Å; D202-R496 IonicContact OD1-CZ 3.72Å; D202-R496 IonicContact OD1-NE 2.73Å; D202-R496 PolarHBondContact OD1-NE 3.23Å; D202-R496 IonicContact OD1-NH2 2.9Å; D202-R496 PolarHBondContact OD1-NH2 3.18Å; L428-R496 VanDerWaalsContact CB-NH1 3.33Å; Y429-R496 CarbonylContact O-C 3.53Å; Y429-R496 VanDerWaalsContact O-CA 3.32Å; Y429-R496 WeakPolarHBondContact O-CA 3.28Å; Y429-R496 VanDerWaalsContact O-CB 3.22Å; Y429-R496 WeakPolarHBondContact O-CB 3.46Å; K431-R496 PolarHBondContact N-O 2.84Å; R496-H498 CarbonylContact O-C 3.56Å; R496-R499 HydrophobicContact CB-CB 4.05Å; R496-R499 HydrophobicContact CG-CB 4.09Å; R496-R499 HydrophobicContact CG-CG 4.28Å; R496-R499 WeakPolarHBondContact O-CA 3.34Å; R496-R499 WeakPolarHBondContact O-CB 3.49Å; R496-R499 PolarHBondContact O-N 3.48Å; R496-R500 PolarHBondContact O-N 2.72Å; R496-R500 VanDerWaalsContact O-N 3.17Å
497	G	35.2	Very low	36.9	Very low	16 Å²	16	81.6 Å²	81.6	17%	0.165	43%	0.429	C	S	.	.	H	α-helix	trans	-65.2	-42.2	166.4	0	0	0	0	0	105.9	Y429 K431 G495 R499 A501 I502	Y429-G497 WeakPolarHBondContact O-CA 3.48Å; Y429-G497 PolarHBondContact O-N 3.24Å; K431-G497 VanDerWaalsContact CD-O 3.28Å; K431-G497 WeakPolarHBondContact CD-O 3.16Å; K431-G497 WeakPolarHBondContact CE-O 3.23Å; G495-G497 PolarHBondContact O-N 2.97Å; G497-R499 PolarHBondContact O-N 2.7Å; G497-A501 CarbonylContact O-C 3.45Å; G497-A501 WeakPolarHBondContact O-CA 3.16Å; G497-A501 PolarHBondContact O-N 3.09Å; G497-A501 VanDerWaalsContact O-O 3.07Å; G497-I502 PolarHBondContact O-N 2.9Å
498	H	34.7	Very low	37.2	Very low	82 Å²	82	85.6 Å²	85.6	38%	0.38	43%	0.434	S	S	.	.	H	α-helix	trans	-71.2	52.8	149.9	-106.6	16.8	0	0	0	114	G495 R496 A501 I502	G495-H498 CarbonylContact O-C 3.6Å; G495-H498 VanDerWaalsContact O-CA 3.28Å; G495-H498 WeakPolarHBondContact O-CA 3.32Å; G495-H498 WeakPolarHBondContact O-CB 3.34Å; G495-H498 PolarHBondContact O-N 2.75Å; R496-H498 CarbonylContact O-C 3.56Å; H498-A501 PolarHBondContact ND1-O 3.39Å; H498-I502 VanDerWaalsContact CA-CG1 3.48Å; H498-I502 HydrophobicContact CB-CD1 4.2Å; H498-I502 HydrophobicContact CB-CG1 3.46Å; H498-I502 VanDerWaalsContact CB-CG1 3.46Å; H498-I502 WeakPolarHBondContact ND1-CG1 3.2Å; H498-I502 WeakPolarHBondContact O-CD1 3.38Å; H498-I502 WeakPolarHBondContact O-CG1 3.35Å
499	R	37.3	Very low	37.7	Very low	118 Å²	118	81.7 Å²	81.7	45%	0.445	41%	0.413	S	S	.	.	H	α-helix	trans	-149	-30.4	154.3	-90.9	-155.3	-176.5	168.7	-2.4	112.9	D202 R496 G497 I502 I503	D202-R499 IonicContact OD1-NH1 2.87Å; D202-R499 WeakPolarHBondContact OD2-CD 3.43Å; D202-R499 IonicContact OD2-CZ 3.33Å; D202-R499 IonicContact OD2-NE 3.38Å; D202-R499 IonicContact OD2-NH1 2.71Å; D202-R499 PolarHBondContact OD2-NH1 3.27Å; R496-R499 HydrophobicContact CB-CB 4.05Å; R496-R499 HydrophobicContact CG-CB 4.09Å; R496-R499 HydrophobicContact CG-CG 4.28Å; R496-R499 WeakPolarHBondContact O-CA 3.34Å; R496-R499 WeakPolarHBondContact O-CB 3.49Å; R496-R499 PolarHBondContact O-N 3.48Å; G497-R499 PolarHBondContact O-N 2.7Å; R499-I502 VanDerWaalsContact N-N 3.16Å; R499-I503 WeakPolarHBondContact O-CB 3.19Å; R499-I503 WeakPolarHBondContact O-CD1 3.2Å; R499-I503 WeakPolarHBondContact O-CG1 3.28Å; R499-I503 PolarHBondContact O-N 2.86Å
500	R	36	Very low	38.2	Very low	100 Å²	100	81 Å²	81	38%	0.377	40%	0.395	S	S	.	.	H	α-helix	trans	-95.3	-27.8	168.1	-130.5	-169.8	170.5	166.8	-13.7	115	I430 K431 E433 R496 I503 E504	I430-R500 HydrophobicContact CG2-CB 4.36Å; K431-R500 HydrophobicContact CB-CB 3.64Å; K431-R500 WeakPolarHBondContact O-CB 3.22Å; K431-R500 WeakPolarHBondContact O-CD 3.47Å; E433-R500 HydrophobicContact CG-CG 4.46Å; E433-R500 WeakPolarHBondContact OE1-CD 3.2Å; E433-R500 VanDerWaalsContact OE1-CG 3.23Å; E433-R500 WeakPolarHBondContact OE1-CG 3.47Å; E433-R500 IonicContact OE1-CZ 3.08Å; E433-R500 IonicContact OE1-NE 2.65Å; E433-R500 PolarHBondContact OE1-NE 3.27Å; E433-R500 IonicContact OE1-NH2 3.01Å; E433-R500 IonicContact OE2-CZ 3.58Å; E433-R500 IonicContact OE2-NE 3.5Å; E433-R500 PolarHBondContact OE2-NE 3.28Å; E433-R500 IonicContact OE2-NH2 3.71Å; E433-R500 PolarHBondContact OE2-NH2 3.49Å; R496-R500 PolarHBondContact O-N 2.72Å; R496-R500 VanDerWaalsContact O-N 3.17Å; R500-I503 CarbonylContact O-C 3.58Å; R500-I503 VanDerWaalsContact O-CA 3.3Å; R500-I503 WeakPolarHBondContact O-CA 3.32Å; R500-I503 PolarHBondContact O-N 2.6Å; R500-E504 PolarHBondContact O-N 3.01Å
501	A	37.1	Very low	38.8	Very low	3 Å²	3	82.9 Å²	82.9	3%	0.025	39%	0.394	C	S	.	.	H	α-helix	trans	-129.9	53	146.6	0	0	0	0	0	110.5	K431 G497 H498 E504 Q505	K431-A501 HydrophobicContact CD-CB 3.5Å; K431-A501 VanDerWaalsContact CD-CB 3.5Å; K431-A501 VanDerWaalsContact NZ-CB 3.29Å; K431-A501 PolarHBondContact NZ-O 3.21Å; G497-A501 CarbonylContact O-C 3.45Å; G497-A501 WeakPolarHBondContact O-CA 3.16Å; G497-A501 PolarHBondContact O-N 3.09Å; G497-A501 VanDerWaalsContact O-O 3.07Å; H498-A501 PolarHBondContact ND1-O 3.39Å; A501-E504 HydrophobicContact CB-CB 3.72Å; A501-E504 HydrophobicContact CB-CG 4.17Å; A501-E504 WeakPolarHBondContact CB-OE2 3.31Å; A501-Q505 HydrophobicContact CB-CG 4.32Å; A501-Q505 PolarHBondContact O-OE1 3.08Å
502	I	36.6	Very low	39.7	Very low	34 Å²	34	77.7 Å²	77.7	17%	0.174	37%	0.372	C	S	.	.	H	α-helix		-77.2	-65	94	-26.6	149.2	0	0	0	105	G497 H498 R499 E504 Q505 K506	G497-I502 PolarHBondContact O-N 2.9Å; H498-I502 VanDerWaalsContact CA-CG1 3.48Å; H498-I502 HydrophobicContact CB-CD1 4.2Å; H498-I502 HydrophobicContact CB-CG1 3.46Å; H498-I502 VanDerWaalsContact CB-CG1 3.46Å; H498-I502 WeakPolarHBondContact ND1-CG1 3.2Å; H498-I502 WeakPolarHBondContact O-CD1 3.38Å; H498-I502 WeakPolarHBondContact O-CG1 3.35Å; R499-I502 VanDerWaalsContact N-N 3.16Å; I502-E504 VanDerWaalsContact C-N 3.31Å; I502-E504 CarbonylContact O-C 3.58Å; I502-E504 PolarHBondContact O-N 2.72Å; I502-Q505 VanDerWaalsContact CG2-C 3.48Å; I502-Q505 HydrophobicContact CG2-CB 4.23Å; I502-Q505 WeakPolarHBondContact CG2-O 3.23Å; I502-Q505 CarbonylContact O-C 3.51Å; I502-Q505 WeakPolarHBondContact O-CA 3.17Å; I502-Q505 WeakPolarHBondContact O-CB 3.32Å; I502-Q505 PolarHBondContact O-N 2.96Å; I502-K506 VanDerWaalsContact C-N 3.31Å; I502-K506 HydrophobicContact CB-CB 3.63Å; I502-K506 HydrophobicContact CB-CD 3.84Å; I502-K506 HydrophobicContact CB-CG 3.74Å; I502-K506 HydrophobicContact CD1-CD 3.98Å; I502-K506 HydrophobicContact CG2-CB 3.36Å; I502-K506 HydrophobicContact CG2-CD 3.94Å; I502-K506 HydrophobicContact CG2-CG 3.31Å; I502-K506 WeakPolarHBondContact O-CA 3.21Å; I502-K506 WeakPolarHBondContact O-CB 3.05Å; I502-K506 PolarHBondContact O-N 2.83Å
503	I	36.6	Very low	41.1	Very low	89 Å²	89	72.1 Å²	72.1	46%	0.456	35%	0.352	S	S	.	.	H	α-helix	trans	-40.5	-21.5	-171.8	-75.8	167.5	0	0	0	121.8	R499 R500 K506 T507	R499-I503 WeakPolarHBondContact O-CB 3.19Å; R499-I503 WeakPolarHBondContact O-CD1 3.2Å; R499-I503 WeakPolarHBondContact O-CG1 3.28Å; R499-I503 PolarHBondContact O-N 2.86Å; R500-I503 CarbonylContact O-C 3.58Å; R500-I503 VanDerWaalsContact O-CA 3.3Å; R500-I503 WeakPolarHBondContact O-CA 3.32Å; R500-I503 PolarHBondContact O-N 2.6Å; I503-K506 HydrophobicContact CG1-CB 4.33Å; I503-K506 CarbonylContact O-C 3.58Å; I503-T507 WeakPolarHBondContact O-CB 3.1Å; I503-T507 VanDerWaalsContact O-CG2 3.25Å; I503-T507 WeakPolarHBondContact O-CG2 3.29Å; I503-T507 PolarHBondContact O-N 2.7Å; I503-T507 PolarHBondContact O-OG1 3.02Å
504	E	35.9	Very low	42.1	Very low	103 Å²	103	70.7 Å²	70.7	48%	0.481	34%	0.342	S	S	.	.	H	α-helix	trans	-89.3	-30.4	156.8	-54	173.9	99.4	0	0	115.7	E433 R500 A501 I502 T507 R508	E433-E504 HydrophobicContact CG-CG 4.39Å; R500-E504 PolarHBondContact O-N 3.01Å; A501-E504 HydrophobicContact CB-CB 3.72Å; A501-E504 HydrophobicContact CB-CG 4.17Å; A501-E504 WeakPolarHBondContact CB-OE2 3.31Å; I502-E504 VanDerWaalsContact C-N 3.31Å; I502-E504 CarbonylContact O-C 3.58Å; I502-E504 PolarHBondContact O-N 2.72Å; E504-T507 VanDerWaalsContact CA-OG1 3.23Å; E504-T507 WeakPolarHBondContact CA-OG1 3.48Å; E504-T507 PolarHBondContact O-OG1 3.04Å; E504-T507 VanDerWaalsContact O-OG1 3.13Å; E504-R508 VanDerWaalsContact O-CB 3.23Å; E504-R508 WeakPolarHBondContact O-CB 3.37Å; E504-R508 PolarHBondContact O-N 3.33Å
505	Q	39.8	Very low	43.6	Very low	89 Å²	89	71.8 Å²	71.8	42%	0.416	35%	0.345	S	S	.	.	H	α-helix	trans	-83.9	12.2	157.8	-60	-170.7	-88	0	0	115.2	A501 I502 R508 N509	A501-Q505 HydrophobicContact CB-CG 4.32Å; A501-Q505 PolarHBondContact O-OE1 3.08Å; I502-Q505 VanDerWaalsContact CG2-C 3.48Å; I502-Q505 HydrophobicContact CG2-CB 4.23Å; I502-Q505 WeakPolarHBondContact CG2-O 3.23Å; I502-Q505 CarbonylContact O-C 3.51Å; I502-Q505 WeakPolarHBondContact O-CA 3.17Å; I502-Q505 WeakPolarHBondContact O-CB 3.32Å; I502-Q505 PolarHBondContact O-N 2.96Å; Q505-R508 VanDerWaalsContact C-C 3.48Å; Q505-R508 CarbonylContact O-C 3.59Å; Q505-N509 WeakPolarHBondContact O-CA 3.47Å; Q505-N509 WeakPolarHBondContact O-CB 3.25Å; Q505-N509 PolarHBondContact O-N 2.99Å; Q505-N509 PolarHBondContact O-ND2 3Å
506	K	39.7	Very low	45.8	Very low	73 Å²	73	76.7 Å²	76.7	32%	0.317	36%	0.359	S	S	.	.	H	α-helix	trans	-141.8	-12.6	-179.8	-125.2	-174.8	174.9	-128.3	0	108.5	I502 I503 E510	I502-K506 VanDerWaalsContact C-N 3.31Å; I502-K506 HydrophobicContact CB-CB 3.63Å; I502-K506 HydrophobicContact CB-CD 3.84Å; I502-K506 HydrophobicContact CB-CG 3.74Å; I502-K506 HydrophobicContact CD1-CD 3.98Å; I502-K506 HydrophobicContact CG2-CB 3.36Å; I502-K506 HydrophobicContact CG2-CD 3.94Å; I502-K506 HydrophobicContact CG2-CG 3.31Å; I502-K506 WeakPolarHBondContact O-CA 3.21Å; I502-K506 WeakPolarHBondContact O-CB 3.05Å; I502-K506 PolarHBondContact O-N 2.83Å; I503-K506 HydrophobicContact CG1-CB 4.33Å; I503-K506 CarbonylContact O-C 3.58Å; K506-E510 VanDerWaalsContact C-N 3.28Å; K506-E510 VanDerWaalsContact CA-N 3.35Å; K506-E510 VanDerWaalsContact CB-OE2 3.29Å; K506-E510 WeakPolarHBondContact CB-OE2 3.48Å; K506-E510 HydrophobicContact CD-CG 4.33Å; K506-E510 WeakPolarHBondContact CD-OE2 3.2Å; K506-E510 WeakPolarHBondContact CE-OE1 3.49Å; K506-E510 VanDerWaalsContact CG-CD 3.49Å; K506-E510 HydrophobicContact CG-CG 3.81Å; K506-E510 WeakPolarHBondContact CG-OE2 3.47Å; K506-E510 IonicContact NZ-OE1 3.52Å; K506-E510 PolarHBondContact NZ-OE1 2.86Å; K506-E510 IonicContact NZ-OE2 3.5Å; K506-E510 WeakPolarHBondContact O-CA 2.98Å; K506-E510 WeakPolarHBondContact O-CB 3.23Å; K506-E510 PolarHBondContact O-N 2.65Å; K506-E510 VanDerWaalsContact O-OE2 3.12Å
507	T	40.7	Very low	47.5	Very low	60 Å²	60	78.6 Å²	78.6	37%	0.368	37%	0.366	S	S	.	.	I	π-helix		-65.5	-72.4	127	57.3	0	0	0	0	104.6	I503 E504 N509 E510 Q511 T512	I503-T507 WeakPolarHBondContact O-CB 3.1Å; I503-T507 VanDerWaalsContact O-CG2 3.25Å; I503-T507 WeakPolarHBondContact O-CG2 3.29Å; I503-T507 PolarHBondContact O-N 2.7Å; I503-T507 PolarHBondContact O-OG1 3.02Å; E504-T507 VanDerWaalsContact CA-OG1 3.23Å; E504-T507 WeakPolarHBondContact CA-OG1 3.48Å; E504-T507 PolarHBondContact O-OG1 3.04Å; E504-T507 VanDerWaalsContact O-OG1 3.13Å; T507-N509 PolarHBondContact O-N 3Å; T507-E510 CarbonylContact O-C 3.56Å; T507-E510 PolarHBondContact O-N 2.54Å; T507-Q511 VanDerWaalsContact C-CB 3.49Å; T507-Q511 VanDerWaalsContact C-OE1 3.32Å; T507-Q511 VanDerWaalsContact CB-CD 3.49Å; T507-Q511 WeakPolarHBondContact O-CA 3.47Å; T507-Q511 WeakPolarHBondContact O-CB 3.34Å; T507-Q511 WeakPolarHBondContact O-CG 3.29Å; T507-Q511 PolarHBondContact O-N 2.68Å; T507-T512 PolarHBondContact O-N 3.39Å
508	R	38.4	Very low	49.7	Very low	184 Å²	184	79.3 Å²	79.3	69%	0.694	37%	0.366	S	S	*	.	I	π-helix	trans	-60.3	11.2	175.9	-72.1	165.3	142.4	173.2	-3	120	E504 Q505 T512	E504-R508 VanDerWaalsContact O-CB 3.23Å; E504-R508 WeakPolarHBondContact O-CB 3.37Å; E504-R508 PolarHBondContact O-N 3.33Å; Q505-R508 VanDerWaalsContact C-C 3.48Å; Q505-R508 CarbonylContact O-C 3.59Å; R508-T512 VanDerWaalsContact O-CB 3.25Å; R508-T512 WeakPolarHBondContact O-CB 3.3Å; R508-T512 WeakPolarHBondContact O-CG2 3.07Å; R508-T512 PolarHBondContact O-OG1 3.29Å
509	N	44.2	Very low	52	Low	68 Å²	68	78.3 Å²	78.3	36%	0.364	37%	0.368	S	S	.	.	I	π-helix	trans	-145.1	10	160	-60.7	-48.3	0	0	0	113.8	Q505 T507 T512 A513	Q505-N509 WeakPolarHBondContact O-CA 3.47Å; Q505-N509 WeakPolarHBondContact O-CB 3.25Å; Q505-N509 PolarHBondContact O-N 2.99Å; Q505-N509 PolarHBondContact O-ND2 3Å; T507-N509 PolarHBondContact O-N 3Å; N509-T512 WeakPolarHBondContact CA-OG1 3.23Å; N509-T512 PolarHBondContact OD1-OG1 2.89Å; N509-A513 WeakPolarHBondContact O-CB 3.35Å; N509-A513 PolarHBondContact O-N 3.13Å
510	E	43.7	Very low	54.2	Low	70 Å²	70	76 Å²	76	33%	0.327	36%	0.36	S	S	.	.	I	π-helix	trans	-102.3	-53	146.9	-67.6	143.6	148.4	0	0	106.1	K506 T507 T512 A513 E514	K506-E510 VanDerWaalsContact C-N 3.28Å; K506-E510 VanDerWaalsContact CA-N 3.35Å; K506-E510 VanDerWaalsContact CB-OE2 3.29Å; K506-E510 WeakPolarHBondContact CB-OE2 3.48Å; K506-E510 HydrophobicContact CD-CG 4.33Å; K506-E510 WeakPolarHBondContact CD-OE2 3.2Å; K506-E510 WeakPolarHBondContact CE-OE1 3.49Å; K506-E510 VanDerWaalsContact CG-CD 3.49Å; K506-E510 HydrophobicContact CG-CG 3.81Å; K506-E510 WeakPolarHBondContact CG-OE2 3.47Å; K506-E510 IonicContact NZ-OE1 3.52Å; K506-E510 PolarHBondContact NZ-OE1 2.86Å; K506-E510 IonicContact NZ-OE2 3.5Å; K506-E510 WeakPolarHBondContact O-CA 2.98Å; K506-E510 WeakPolarHBondContact O-CB 3.23Å; K506-E510 PolarHBondContact O-N 2.65Å; K506-E510 VanDerWaalsContact O-OE2 3.12Å; T507-E510 CarbonylContact O-C 3.56Å; T507-E510 PolarHBondContact O-N 2.54Å; E510-T512 VanDerWaalsContact C-N 3.27Å; E510-T512 PolarHBondContact O-N 2.53Å; E510-T512 VanDerWaalsContact O-N 3.11Å; E510-A513 CarbonylContact O-C 3.51Å; E510-A513 WeakPolarHBondContact O-CA 3.34Å; E510-A513 PolarHBondContact O-N 3.18Å; E510-E514 WeakPolarHBondContact O-CA 3.25Å; E510-E514 WeakPolarHBondContact O-CB 3.33Å; E510-E514 PolarHBondContact O-N 3.06Å
511	Q	46.9	Very low	56.6	Low	96 Å²	96	71.5 Å²	71.5	45%	0.449	34%	0.343	S	S	.	.	I	π-helix	trans	-41.2	-48.7	152.4	-54.9	170.4	-33.4	0	0	112.8	T507 A513 E515	T507-Q511 VanDerWaalsContact C-CB 3.49Å; T507-Q511 VanDerWaalsContact C-OE1 3.32Å; T507-Q511 VanDerWaalsContact CB-CD 3.49Å; T507-Q511 WeakPolarHBondContact O-CA 3.47Å; T507-Q511 WeakPolarHBondContact O-CB 3.34Å; T507-Q511 WeakPolarHBondContact O-CG 3.29Å; T507-Q511 PolarHBondContact O-N 2.68Å; Q511-A513 PolarHBondContact O-N 3.35Å; Q511-E515 VanDerWaalsContact O-CA 3.25Å; Q511-E515 WeakPolarHBondContact O-CA 2.92Å; Q511-E515 WeakPolarHBondContact O-CB 3.45Å; Q511-E515 WeakPolarHBondContact O-CG 3.19Å; Q511-E515 PolarHBondContact O-N 2.71Å
512	T	56.7	Low	59	Low	31 Å²	31	75.5 Å²	75.5	19%	0.19	36%	0.357	C	S	.	.	H	α-helix	trans	-86.5	9	169.3	93.2	0	0	0	0	117.1	T507 R508 N509 E510 E515 K516	T507-T512 PolarHBondContact O-N 3.39Å; R508-T512 VanDerWaalsContact O-CB 3.25Å; R508-T512 WeakPolarHBondContact O-CB 3.3Å; R508-T512 WeakPolarHBondContact O-CG2 3.07Å; R508-T512 PolarHBondContact O-OG1 3.29Å; N509-T512 WeakPolarHBondContact CA-OG1 3.23Å; N509-T512 PolarHBondContact OD1-OG1 2.89Å; E510-T512 VanDerWaalsContact C-N 3.27Å; E510-T512 PolarHBondContact O-N 2.53Å; E510-T512 VanDerWaalsContact O-N 3.11Å; T512-E515 WeakPolarHBondContact CG2-OE2 3.35Å; T512-K516 WeakPolarHBondContact O-CD 2.98Å; T512-K516 WeakPolarHBondContact O-CE 3.45Å; T512-K516 WeakPolarHBondContact O-CG 3.24Å; T512-K516 PolarHBondContact O-NZ 3.3Å; T512-K516 PolarHBondContact OG1-NZ 2.7Å; T512-K516 VanDerWaalsContact OG1-NZ 3.1Å
513	A	64	Low	61.5	Low	35 Å²	35	77.3 Å²	77.3	29%	0.289	37%	0.367	S	S	.	.	H	α-helix	trans	-110.5	-44.1	165.2	0	0	0	0	0	112.7	N509 E510 Q511 K516 R517	N509-A513 WeakPolarHBondContact O-CB 3.35Å; N509-A513 PolarHBondContact O-N 3.13Å; E510-A513 CarbonylContact O-C 3.51Å; E510-A513 WeakPolarHBondContact O-CA 3.34Å; E510-A513 PolarHBondContact O-N 3.18Å; Q511-A513 PolarHBondContact O-N 3.35Å; A513-K516 CarbonylContact O-C 3.41Å; A513-K516 WeakPolarHBondContact O-CA 3.3Å; A513-K516 WeakPolarHBondContact O-CB 3.13Å; A513-K516 PolarHBondContact O-N 3.1Å; A513-K516 VanDerWaalsContact O-N 3.1Å; A513-R517 WeakPolarHBondContact O-CB 3.43Å; A513-R517 WeakPolarHBondContact O-CG 3.48Å; A513-R517 PolarHBondContact O-N 2.91Å
514	E	66.7	Low	64	Low	106 Å²	106	73.5 Å²	73.5	50%	0.495	35%	0.348	S	S	.	.	H	α-helix	trans	-47.8	-50.3	151.9	-154.5	156.8	-129.7	0	0	112.6	E510 K516 R517 M518	E510-E514 WeakPolarHBondContact O-CA 3.25Å; E510-E514 WeakPolarHBondContact O-CB 3.33Å; E510-E514 PolarHBondContact O-N 3.06Å; E514-K516 PolarHBondContact O-N 3.28Å; E514-R517 CarbonylContact O-C 3.54Å; E514-R517 WeakPolarHBondContact O-CB 3.09Å; E514-R517 PolarHBondContact O-N 3.03Å; E514-M518 WeakPolarHBondContact O-CA 2.91Å; E514-M518 VanDerWaalsContact O-CB 3.23Å; E514-M518 WeakPolarHBondContact O-CB 3.08Å; E514-M518 VanDerWaalsContact O-CG 3.31Å; E514-M518 WeakPolarHBondContact O-CG 2.93Å; E514-M518 PolarHBondContact O-N 2.68Å
515	E	70.9	Confident	66.6	Low	110 Å²	110	69.8 Å²	69.8	51%	0.514	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-34	169.5	-76.5	155.7	-147.3	0	0	110.5	Q511 T512 S519	Q511-E515 VanDerWaalsContact O-CA 3.25Å; Q511-E515 WeakPolarHBondContact O-CA 2.92Å; Q511-E515 WeakPolarHBondContact O-CB 3.45Å; Q511-E515 WeakPolarHBondContact O-CG 3.19Å; Q511-E515 PolarHBondContact O-N 2.71Å; T512-E515 WeakPolarHBondContact CG2-OE2 3.35Å; E515-S519 WeakPolarHBondContact O-CA 3.49Å; E515-S519 WeakPolarHBondContact O-CB 3.25Å; E515-S519 PolarHBondContact O-N 2.8Å
516	K	78.9	Confident	68.8	Low	130 Å²	130	72.2 Å²	72.2	57%	0.565	34%	0.341	S	S	*	.	H	α-helix	trans	-73.9	-30.1	174.6	-72.3	175.1	-171.2	77.3	0	112	T512 A513 E514 R520	T512-K516 WeakPolarHBondContact O-CD 2.98Å; T512-K516 WeakPolarHBondContact O-CE 3.45Å; T512-K516 WeakPolarHBondContact O-CG 3.24Å; T512-K516 PolarHBondContact O-NZ 3.3Å; T512-K516 PolarHBondContact OG1-NZ 2.7Å; T512-K516 VanDerWaalsContact OG1-NZ 3.1Å; A513-K516 CarbonylContact O-C 3.41Å; A513-K516 WeakPolarHBondContact O-CA 3.3Å; A513-K516 WeakPolarHBondContact O-CB 3.13Å; A513-K516 PolarHBondContact O-N 3.1Å; A513-K516 VanDerWaalsContact O-N 3.1Å; E514-K516 PolarHBondContact O-N 3.28Å; K516-R520 WeakPolarHBondContact O-CB 3.47Å; K516-R520 PolarHBondContact O-N 2.99Å
517	R	77.4	Confident	71.1	Confident	53 Å²	53	74 Å²	74	20%	0.2	35%	0.35	C	S	.	.	H	α-helix	trans	-76.1	-44.6	176.4	-73.8	159.5	168.6	-168.9	-6.8	109.9	A513 E514 R520 R521 E925 E929 L932	A513-R517 WeakPolarHBondContact O-CB 3.43Å; A513-R517 WeakPolarHBondContact O-CG 3.48Å; A513-R517 PolarHBondContact O-N 2.91Å; E514-R517 CarbonylContact O-C 3.54Å; E514-R517 WeakPolarHBondContact O-CB 3.09Å; E514-R517 PolarHBondContact O-N 3.03Å; R517-R520 CarbonylContact O-C 3.55Å; R517-R520 PolarHBondContact O-N 3.43Å; R517-R521 WeakPolarHBondContact O-CA 3.36Å; R517-R521 WeakPolarHBondContact O-CB 3.46Å; R517-R521 PolarHBondContact O-N 2.81Å; R517-E925 IonicContact CZ-OE1 3.78Å; R517-E925 IonicContact NH1-OE1 3.97Å; R517-E925 PolarHBondContact NH1-OE1 3.28Å; R517-E925 IonicContact NH1-OE2 3.45Å; R517-E925 IonicContact NH2-OE1 3.23Å; R517-E925 PolarHBondContact NH2-OE1 2.84Å; R517-E929 IonicContact NH2-OE2 3.78Å; R517-L932 HydrophobicContact CB-CD1 3.78Å; R517-L932 HydrophobicContact CG-CD1 3.67Å
518	M	80.6	Confident	73.4	Confident	32 Å²	32	71.4 Å²	71.4	16%	0.158	34%	0.335	C	S	.	.	H	α-helix	trans	-68.7	-39.8	173.2	-70.1	-63.3	-86.1	0	0	110.9	E514 R521 R522 P972	E514-M518 WeakPolarHBondContact O-CA 2.91Å; E514-M518 VanDerWaalsContact O-CB 3.23Å; E514-M518 WeakPolarHBondContact O-CB 3.08Å; E514-M518 VanDerWaalsContact O-CG 3.31Å; E514-M518 WeakPolarHBondContact O-CG 2.93Å; E514-M518 PolarHBondContact O-N 2.68Å; M518-R521 PolarHBondContact O-N 2.78Å; M518-R522 WeakPolarHBondContact O-CB 3Å; M518-R522 WeakPolarHBondContact O-CD 3.24Å; M518-R522 WeakPolarHBondContact O-CG 3.25Å; M518-R522 PolarHBondContact O-N 3.12Å; M518-P972 HydrophobicContact CE-CB 4.14Å
519	S	82.8	Confident	75.7	Confident	61 Å²	61	64.7 Å²	64.7	43%	0.427	31%	0.314	S	S	.	.	H	α-helix	trans	-63.1	-47.6	168.7	-175.7	0	0	0	0	110.4	E515 R521 R522 D523	E515-S519 WeakPolarHBondContact O-CA 3.49Å; E515-S519 WeakPolarHBondContact O-CB 3.25Å; E515-S519 PolarHBondContact O-N 2.8Å; S519-R521 VanDerWaalsContact C-N 3.32Å; S519-R521 PolarHBondContact O-N 3.15Å; S519-R522 CarbonylContact O-C 3.58Å; S519-R522 PolarHBondContact O-N 2.61Å; S519-D523 WeakPolarHBondContact O-CB 3.36Å; S519-D523 PolarHBondContact O-N 3.35Å
520	R	85.2	Confident	77.7	Confident	70 Å²	70	65 Å²	65	26%	0.264	32%	0.318	S	S	.	.	H	α-helix	trans	-67.7	-32.1	177.8	-170.4	61.3	-177.6	138.8	-2.1	112.2	K516 R517 L524 E527 L932 D935	K516-R520 WeakPolarHBondContact O-CB 3.47Å; K516-R520 PolarHBondContact O-N 2.99Å; R517-R520 CarbonylContact O-C 3.55Å; R517-R520 PolarHBondContact O-N 3.43Å; R520-L524 HydrophobicContact CG-CD1 3.97Å; R520-L524 HydrophobicContact CG-CG 4.29Å; R520-L524 WeakPolarHBondContact O-CB 3.21Å; R520-L524 WeakPolarHBondContact O-CG 3.44Å; R520-L524 PolarHBondContact O-N 2.83Å; R520-E527 IonicContact NH1-OE1 2.58Å; R520-E527 PolarHBondContact NH1-OE1 3.44Å; R520-L932 HydrophobicContact CG-CD2 4.37Å; R520-D935 IonicContact CZ-OD1 3.02Å; R520-D935 IonicContact NE-OD1 3.37Å; R520-D935 PolarHBondContact NE-OD1 2.79Å; R520-D935 VanDerWaalsContact NH2-CG 3.32Å; R520-D935 IonicContact NH2-OD1 3.61Å; R520-D935 PolarHBondContact NH2-OD1 2.78Å; R520-D935 IonicContact NH2-OD2 2.67Å
521	R	86.6	Confident	79.7	Confident	5 Å²	5	63.9 Å²	63.9	2%	0.019	32%	0.318	C	S	.	.	H	α-helix	trans	-68.2	-43.9	173.5	-178.4	174.6	174.7	-132.1	-9.4	109.9	R517 M518 S519 F525 F937 Y938 P972 D975	R517-R521 WeakPolarHBondContact O-CA 3.36Å; R517-R521 WeakPolarHBondContact O-CB 3.46Å; R517-R521 PolarHBondContact O-N 2.81Å; M518-R521 PolarHBondContact O-N 2.78Å; S519-R521 VanDerWaalsContact C-N 3.32Å; S519-R521 PolarHBondContact O-N 3.15Å; R521-F525 WeakPolarHBondContact O-CB 3.33Å; R521-F525 PolarHBondContact O-N 2.83Å; R521-F937 HydrophobicContact CG-CD2 3.89Å; R521-F937 HydrophobicContact CG-CE2 3.42Å; R521-F937 VanDerWaalsContact CG-CE2 3.42Å; R521-F937 HydrophobicContact CG-CZ 4.38Å; R521-F937 VanDerWaalsContact O-CD2 3.29Å; R521-F937 WeakPolarHBondContact O-CD2 3.34Å; R521-F937 WeakPolarHBondContact O-CE2 3.38Å; R521-Y938 PolarHBondContact NE-O 2.87Å; R521-P972 HydrophobicContact CG-CB 4.08Å; R521-P972 HydrophobicContact CG-CG 4.39Å; R521-D975 IonicContact CZ-OD2 3.21Å; R521-D975 IonicContact NH1-OD2 2.81Å; R521-D975 PolarHBondContact NH1-OD2 2.65Å; R521-D975 IonicContact NH2-OD2 2.7Å; R521-D975 PolarHBondContact NH2-OD2 3.48Å
522	R	86.9	Confident	81.5	Confident	87 Å²	87	59.5 Å²	59.5	33%	0.328	30%	0.298	S	S	.	.	H	α-helix	trans	-64	-41.5	171.5	-75.3	165.5	164.9	132.9	2.9	112	M518 S519 F525 Q526 P972 D973 D976	M518-R522 WeakPolarHBondContact O-CB 3Å; M518-R522 WeakPolarHBondContact O-CD 3.24Å; M518-R522 WeakPolarHBondContact O-CG 3.25Å; M518-R522 PolarHBondContact O-N 3.12Å; S519-R522 CarbonylContact O-C 3.58Å; S519-R522 PolarHBondContact O-N 2.61Å; R522-F525 WeakPolarHBondContact O-CB 3.32Å; R522-F525 PolarHBondContact O-N 3.31Å; R522-Q526 PolarHBondContact O-N 2.86Å; R522-P972 HydrophobicContact CB-CG 4.43Å; R522-P972 HydrophobicContact CG-CB 4.26Å; R522-P972 HydrophobicContact CG-CG 3.48Å; R522-P972 VanDerWaalsContact CG-CG 3.48Å; R522-P972 PolarHBondContact NH2-O 3.31Å; R522-D973 IonicContact CZ-OD1 3.33Å; R522-D973 IonicContact NE-OD1 3.92Å; R522-D973 PolarHBondContact NE-OD1 3.45Å; R522-D973 IonicContact NH2-OD1 3.41Å; R522-D973 PolarHBondContact NH2-OD1 2.9Å; R522-D976 IonicContact CZ-OD2 3.57Å; R522-D976 IonicContact NH1-OD2 2.69Å; R522-D976 IonicContact NH2-OD2 2.84Å; R522-D976 PolarHBondContact NH2-OD2 3.1Å
523	D	88.3	Confident	82.8	Confident	72 Å²	72	60.2 Å²	60.2	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-62.1	-53.7	173.7	-65.6	-33.6	0	0	0	110.7	S519 F525 Q526 E527	S519-D523 WeakPolarHBondContact O-CB 3.36Å; S519-D523 PolarHBondContact O-N 3.35Å; D523-F525 VanDerWaalsContact C-N 3.25Å; D523-F525 PolarHBondContact O-N 2.97Å; D523-Q526 PolarHBondContact O-N 3.16Å; D523-Q526 VanDerWaalsContact O-N 3.11Å; D523-E527 WeakPolarHBondContact O-CG 3.08Å; D523-E527 PolarHBondContact O-N 3.04Å
524	L	89.7	Confident	83.8	Confident	9 Å²	9	64 Å²	64	5%	0.047	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-29.9	178.3	-72	171.5	0	0	0	112	R520 L528 L932 D935 F937	R520-L524 HydrophobicContact CG-CD1 3.97Å; R520-L524 HydrophobicContact CG-CG 4.29Å; R520-L524 WeakPolarHBondContact O-CB 3.21Å; R520-L524 WeakPolarHBondContact O-CG 3.44Å; R520-L524 PolarHBondContact O-N 2.83Å; L524-L528 VanDerWaalsContact O-CB 3.22Å; L524-L528 WeakPolarHBondContact O-CB 3.31Å; L524-L528 PolarHBondContact O-N 3.48Å; L524-L932 HydrophobicContact CD1-CD2 3.97Å; L524-D935 HydrophobicContact CD2-CB 4.24Å; L524-D935 WeakPolarHBondContact CD2-O 3.47Å; L524-F937 HydrophobicContact CB-CB 4.11Å; L524-F937 HydrophobicContact CB-CD2 4.37Å
525	F	90	Very high	84.5	Confident	25 Å²	25	62.8 Å²	62.8	11%	0.11	31%	0.309	C	S	.	.	H	α-helix	trans	-67.4	-43	171.6	-173.9	-117.7	0	0	0	111.6	R521 R522 D523 L528 V529 F937 W967 I970	R521-F525 WeakPolarHBondContact O-CB 3.33Å; R521-F525 PolarHBondContact O-N 2.83Å; R522-F525 WeakPolarHBondContact O-CB 3.32Å; R522-F525 PolarHBondContact O-N 3.31Å; D523-F525 VanDerWaalsContact C-N 3.25Å; D523-F525 PolarHBondContact O-N 2.97Å; F525-L528 HydrophobicContact CD2-CD2 4.24Å; F525-L528 WeakPolarHBondContact O-CB 3.39Å; F525-L528 PolarHBondContact O-N 3Å; F525-V529 HydrophobicContact CD1-CG2 4.45Å; F525-V529 HydrophobicContact CD2-CG2 4.36Å; F525-V529 HydrophobicContact CE1-CG2 4.13Å; F525-V529 HydrophobicContact CE2-CG2 4.03Å; F525-V529 HydrophobicContact CZ-CG2 3.91Å; F525-V529 WeakPolarHBondContact O-CG2 3.35Å; F525-V529 PolarHBondContact O-N 2.6Å; F525-F937 HydrophobicContact CB-CD2 3.9Å; F525-F937 HydrophobicContact CB-CE2 3.58Å; F525-F937 HydrophobicContact CB-CZ 4.19Å; F525-F937 HydrophobicContact CD2-CD1 4.43Å; F525-F937 HydrophobicContact CD2-CD2 4.41Å; F525-F937 AromaticContact CD2-CE1 3.83Å; F525-F937 HydrophobicContact CD2-CE1 3.83Å; F525-F937 AromaticContact CD2-CE2 3.79Å; F525-F937 HydrophobicContact CD2-CE2 3.79Å; F525-F937 AromaticContact CD2-CZ 3.49Å; F525-F937 HydrophobicContact CD2-CZ 3.49Å; F525-F937 VanDerWaalsContact CD2-CZ 3.49Å; F525-F937 HydrophobicContact CE2-CE1 4.4Å; F525-F937 HydrophobicContact CE2-CZ 4.21Å; F525-F937 HydrophobicContact CG-CE2 4.06Å; F525-F937 HydrophobicContact CG-CZ 4.16Å; F525-W967 WeakPolarHBondContact CE2-O 3.49Å; F525-W967 VanDerWaalsContact CZ-O 3.27Å; F525-W967 WeakPolarHBondContact CZ-O 3.36Å; F525-I970 HydrophobicContact CE2-CG1 4.17Å
526	Q	87	Confident	84.9	Confident	140 Å²	140	57.7 Å²	57.7	65%	0.654	29%	0.285	S	S	*	.	H	α-helix	trans	-67.4	-36.4	175.2	-170.4	165.9	60.2	0	0	111.8	R522 D523 T530	R522-Q526 PolarHBondContact O-N 2.86Å; D523-Q526 PolarHBondContact O-N 3.16Å; D523-Q526 VanDerWaalsContact O-N 3.11Å; Q526-T530 WeakPolarHBondContact O-CB 3.17Å; Q526-T530 PolarHBondContact O-N 2.68Å; Q526-T530 PolarHBondContact O-OG1 2.97Å
527	E	87.7	Confident	84.6	Confident	109 Å²	109	54.9 Å²	54.9	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-64.5	-40.9	169.8	-68.4	-177.8	-134.9	0	0	111.8	R520 D523 S531	R520-E527 IonicContact NH1-OE1 2.58Å; R520-E527 PolarHBondContact NH1-OE1 3.44Å; D523-E527 WeakPolarHBondContact O-CG 3.08Å; D523-E527 PolarHBondContact O-N 3.04Å; E527-S531 WeakPolarHBondContact O-CB 3.41Å; E527-S531 PolarHBondContact O-N 3.29Å; E527-S531 PolarHBondContact O-OG 3.4Å
528	L	88.5	Confident	84.1	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.037	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-58.8	174.4	168.6	62.2	0	0	0	111.3	L524 F525 T530 S531 S532 E886 F887 F937 W967	L524-L528 VanDerWaalsContact O-CB 3.22Å; L524-L528 WeakPolarHBondContact O-CB 3.31Å; L524-L528 PolarHBondContact O-N 3.48Å; F525-L528 HydrophobicContact CD2-CD2 4.24Å; F525-L528 WeakPolarHBondContact O-CB 3.39Å; F525-L528 PolarHBondContact O-N 3Å; L528-T530 VanDerWaalsContact C-N 3.28Å; L528-T530 PolarHBondContact O-N 3.09Å; L528-S531 PolarHBondContact O-N 2.59Å; L528-S531 PolarHBondContact O-OG 2.64Å; L528-S532 VanDerWaalsContact O-CB 3.27Å; L528-S532 WeakPolarHBondContact O-CB 3.24Å; L528-S532 PolarHBondContact O-N 2.85Å; L528-S532 PolarHBondContact O-OG 2.9Å; L528-E886 HydrophobicContact CD1-CG 3.62Å; L528-F887 HydrophobicContact CD1-CD1 4.24Å; L528-F887 HydrophobicContact CD2-CB 4.12Å; L528-F887 HydrophobicContact CD2-CD1 4.08Å; L528-F887 HydrophobicContact CD2-CG 4.27Å; L528-F937 HydrophobicContact CD2-CB 4.4Å; L528-F937 HydrophobicContact CD2-CD1 3.51Å; L528-F937 HydrophobicContact CD2-CE1 4.06Å; L528-F937 HydrophobicContact CD2-CG 4.1Å; L528-W967 HydrophobicContact CD2-CB 4.49Å
529	V	86.4	Confident	83.5	Confident	43 Å²	43	56.5 Å²	56.5	26%	0.261	30%	0.304	S	S	.	.	H	α-helix	trans	-58.4	-41.2	-179.5	173	0	0	0	0	110.7	F525 S532 T533	F525-V529 HydrophobicContact CD1-CG2 4.45Å; F525-V529 HydrophobicContact CD2-CG2 4.36Å; F525-V529 HydrophobicContact CE1-CG2 4.13Å; F525-V529 HydrophobicContact CE2-CG2 4.03Å; F525-V529 HydrophobicContact CZ-CG2 3.91Å; F525-V529 WeakPolarHBondContact O-CG2 3.35Å; F525-V529 PolarHBondContact O-N 2.6Å; V529-S532 PolarHBondContact O-OG 3.27Å; V529-T533 WeakPolarHBondContact O-CB 3.47Å; V529-T533 PolarHBondContact O-N 3.11Å; V529-T533 VanDerWaalsContact O-N 3.09Å; V529-T533 PolarHBondContact O-OG1 3.04Å
530	T	86.2	Confident	82.5	Confident	75 Å²	75	62.5 Å²	62.5	46%	0.46	32%	0.323	S	S	.	.	H	α-helix	trans	-65.6	-46.4	176.5	-58.6	0	0	0	0	111.7	Q526 L528 N534	Q526-T530 WeakPolarHBondContact O-CB 3.17Å; Q526-T530 PolarHBondContact O-N 2.68Å; Q526-T530 PolarHBondContact O-OG1 2.97Å; L528-T530 VanDerWaalsContact C-N 3.28Å; L528-T530 PolarHBondContact O-N 3.09Å; T530-N534 WeakPolarHBondContact O-CB 3.18Å; T530-N534 PolarHBondContact O-N 2.66Å; T530-N534 VanDerWaalsContact O-N 3.14Å; T530-N534 PolarHBondContact O-ND2 2.69Å
531	S	86.1	Confident	81.1	Confident	46 Å²	46	62.1 Å²	62.1	32%	0.322	33%	0.328	S	S	.	.	H	α-helix	trans	-77	-31.6	-174.9	73.9	0	0	0	0	113.4	E527 L528 R535	E527-S531 WeakPolarHBondContact O-CB 3.41Å; E527-S531 PolarHBondContact O-N 3.29Å; E527-S531 PolarHBondContact O-OG 3.4Å; L528-S531 PolarHBondContact O-N 2.59Å; L528-S531 PolarHBondContact O-OG 2.64Å; S531-R535 WeakPolarHBondContact O-CG 3.35Å; S531-R535 PolarHBondContact O-N 3.21Å; S531-R535 PolarHBondContact O-NE 3.49Å; S531-R535 PolarHBondContact O-NH2 3.24Å; S531-R535 PolarHBondContact OG-NH2 2.93Å
532	S	84.1	Confident	79.4	Confident	3 Å²	3	68.2 Å²	68.2	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-71	-48.7	175.4	65.6	0	0	0	0	110.2	L528 V529 N534 R535 L536 E886	L528-S532 VanDerWaalsContact O-CB 3.27Å; L528-S532 WeakPolarHBondContact O-CB 3.24Å; L528-S532 PolarHBondContact O-N 2.85Å; L528-S532 PolarHBondContact O-OG 2.9Å; V529-S532 PolarHBondContact O-OG 3.27Å; S532-N534 PolarHBondContact O-N 2.73Å; S532-R535 PolarHBondContact O-N 2.85Å; S532-L536 WeakPolarHBondContact O-CB 3.37Å; S532-L536 WeakPolarHBondContact O-CG 3.38Å; S532-L536 PolarHBondContact O-N 3.27Å; S532-E886 WeakPolarHBondContact CB-OE1 3.23Å
533	T	84.3	Confident	77.5	Confident	46 Å²	46	69.7 Å²	69.7	28%	0.282	38%	0.38	S	S	.	.	H	α-helix	trans	-51.3	-54.1	172.7	-62.1	0	0	0	0	110.9	V529 R535 L536 T537 V962	V529-T533 WeakPolarHBondContact O-CB 3.47Å; V529-T533 PolarHBondContact O-N 3.11Å; V529-T533 VanDerWaalsContact O-N 3.09Å; V529-T533 PolarHBondContact O-OG1 3.04Å; T533-R535 PolarHBondContact O-N 2.93Å; T533-L536 PolarHBondContact O-N 3.19Å; T533-T537 HydrophobicContact CG2-CG2 4Å; T533-T537 WeakPolarHBondContact O-CG2 3.29Å; T533-T537 PolarHBondContact O-N 3.36Å; T533-T537 PolarHBondContact O-OG1 3.33Å; T533-V962 HydrophobicContact CG2-CG1 3.95Å
534	N	84.5	Confident	75.1	Confident	114 Å²	114	72.4 Å²	72.4	61%	0.61	39%	0.394	S	S	*	.	H	α-helix	trans	-62.1	-15.1	179.9	-78.8	-56.1	0	0	0	115	T530 S532	T530-N534 WeakPolarHBondContact O-CB 3.18Å; T530-N534 PolarHBondContact O-N 2.66Å; T530-N534 VanDerWaalsContact O-N 3.14Å; T530-N534 PolarHBondContact O-ND2 2.69Å; S532-N534 PolarHBondContact O-N 2.73Å
535	R	81.6	Confident	72.7	Confident	82 Å²	82	78.4 Å²	78.4	31%	0.309	43%	0.426	S	S	.	.	H	α-helix	trans	-99.2	-30.9	175.8	-79.8	176.3	-75	145.2	-6.6	113.2	S531 S532 T533 E886 K907	S531-R535 WeakPolarHBondContact O-CG 3.35Å; S531-R535 PolarHBondContact O-N 3.21Å; S531-R535 PolarHBondContact O-NE 3.49Å; S531-R535 PolarHBondContact O-NH2 3.24Å; S531-R535 PolarHBondContact OG-NH2 2.93Å; S532-R535 PolarHBondContact O-N 2.85Å; T533-R535 PolarHBondContact O-N 2.93Å; R535-E886 IonicContact CZ-OE1 3.49Å; R535-E886 IonicContact CZ-OE2 3.08Å; R535-E886 IonicContact NH1-OE1 2.87Å; R535-E886 PolarHBondContact NH1-OE1 3.15Å; R535-E886 IonicContact NH1-OE2 3.76Å; R535-E886 PolarHBondContact NH1-OE2 3.42Å; R535-E886 IonicContact NH2-OE1 2.64Å; R535-E886 PolarHBondContact NH2-OE1 3.02Å; R535-E886 IonicContact NH2-OE2 2.84Å; R535-E886 PolarHBondContact NH2-OE2 2.99Å; R535-K907 PolarHBondContact NH1-O 2.79Å
536	L	79.5	Confident	70.2	Confident	2 Å²	2	82.9 Å²	82.9	1%	0.01	45%	0.451	C	S	.	.	H	α-helix	trans	-79.9	-39.6	177.6	-69.2	163.7	0	0	0	111.3	S532 T533 G538 L539 Y909 I954 P958 F961 V962	S532-L536 WeakPolarHBondContact O-CB 3.37Å; S532-L536 WeakPolarHBondContact O-CG 3.38Å; S532-L536 PolarHBondContact O-N 3.27Å; T533-L536 PolarHBondContact O-N 3.19Å; L536-G538 PolarHBondContact O-N 3.04Å; L536-G538 VanDerWaalsContact O-N 3.15Å; L536-L539 HydrophobicContact CD2-CD2 4.36Å; L536-L539 VanDerWaalsContact O-CB 3.24Å; L536-L539 WeakPolarHBondContact O-CB 3.43Å; L536-L539 PolarHBondContact O-N 2.85Å; L536-Y909 HydrophobicContact CD1-CE2 4.5Å; L536-Y909 HydrophobicContact CD2-CD2 4Å; L536-Y909 HydrophobicContact CD2-CE2 3.85Å; L536-Y909 HydrophobicContact CG-CE2 4.2Å; L536-I954 HydrophobicContact CD2-CG2 4.06Å; L536-P958 HydrophobicContact CD2-CB 4.01Å; L536-F961 HydrophobicContact CD1-CD1 3.9Å; L536-F961 HydrophobicContact CD1-CE1 4.2Å; L536-V962 HydrophobicContact CB-CG2 3.65Å; L536-V962 HydrophobicContact CD1-CG2 3.82Å; L536-V962 HydrophobicContact CG-CG2 4.39Å
537	T	72.9	Confident	68.3	Low	71 Å²	71	80.6 Å²	80.6	44%	0.436	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	116.1	174.9	56.8	0	0	0	0	110.5	T533 V962	T533-T537 HydrophobicContact CG2-CG2 4Å; T533-T537 WeakPolarHBondContact O-CG2 3.29Å; T533-T537 PolarHBondContact O-N 3.36Å; T533-T537 PolarHBondContact O-OG1 3.33Å; T537-V962 HydrophobicContact CG2-CG1 4.47Å
538	G	67.5	Low	66.3	Low	54 Å²	54	83.6 Å²	83.6	56%	0.557	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	4.3	-174	0	0	0	0	0	115.7	L536 K540 E959	L536-G538 PolarHBondContact O-N 3.04Å; L536-G538 VanDerWaalsContact O-N 3.15Å; G538-K540 PolarHBondContact O-N 3.41Å; G538-K540 VanDerWaalsContact O-N 3.07Å; G538-E959 PolarHBondContact N-OE1 2.9Å
539	L	68	Low	64.4	Low	66 Å²	66	87.3 Å²	87.3	35%	0.346	48%	0.476	S	S	.	.			trans	-68.8	101	166.4	-169	76.5	0	0	0	108.7	L536 T541 P958	L536-L539 HydrophobicContact CD2-CD2 4.36Å; L536-L539 VanDerWaalsContact O-CB 3.24Å; L536-L539 WeakPolarHBondContact O-CB 3.43Å; L536-L539 PolarHBondContact O-N 2.85Å; L539-T541 PolarHBondContact O-N 3.42Å; L539-P958 HydrophobicContact CB-CB 4.3Å; L539-P958 HydrophobicContact CB-CG 4.48Å; L539-P958 HydrophobicContact CD2-CB 4.23Å; L539-P958 HydrophobicContact CD2-CG 4.02Å
540	K	60.6	Low	63	Low	187 Å²	187	90.4 Å²	90.4	81%	0.813	49%	0.486	S	S	*	.			trans	-68.9	119.6	-179.7	-66.5	-177.4	-179	178.7	0	110.1	G538 D542	G538-K540 PolarHBondContact O-N 3.41Å; G538-K540 VanDerWaalsContact O-N 3.07Å; K540-D542 PolarHBondContact O-N 2.91Å
541	T	56.7	Low	61.7	Low	61 Å²	61	91.3 Å²	91.3	37%	0.374	50%	0.495	S	S	.	.			trans	-55.4	106.3	165.2	44.5	0	0	0	0	109.6	L539 T543 D956 P958	L539-T541 PolarHBondContact O-N 3.42Å; T541-T543 PolarHBondContact O-N 3.41Å; T541-T543 PolarHBondContact O-OG1 3.43Å; T541-D956 WeakPolarHBondContact CG2-O 3.3Å; T541-P958 VanDerWaalsContact CG2-CD 3.45Å; T541-P958 HydrophobicContact CG2-CG 4.06Å
542	D	51.7	Low	61	Low	134 Å²	134	91.7 Å²	91.7	72%	0.717	50%	0.498	S	S	*	.			trans	-79.5	64.9	-173.8	-137.4	7.1	0	0	0	110.7	K540 N544	K540-D542 PolarHBondContact O-N 2.91Å; D542-N544 PolarHBondContact O-N 2.98Å
543	T	46.7	Very low	60.8	Low	117 Å²	117	96.2 Å²	96.2	72%	0.718	52%	0.521	S	S	*	.			trans	-63.4	-1.9	-179	44.8	0	0	0	0	113.9	T541	T541-T543 PolarHBondContact O-N 3.41Å; T541-T543 PolarHBondContact O-OG1 3.43Å
544	N	36.4	Very low	60.7	Low	129 Å²	129	94.6 Å²	94.6	69%	0.69	51%	0.513	S	S	*	.			trans	-118	54.7	179	-69.2	-83.7	0	0	0	111.8	D542 D546	D542-N544 PolarHBondContact O-N 2.98Å; N544-D546 PolarHBondContact O-N 2.92Å
545	L	40.6	Very low	60.9	Low	135 Å²	135	90.9 Å²	90.9	71%	0.707	49%	0.49	S	S	*	.			trans	-66.3	76.6	153.2	-84.4	175.9	0	0	0	109.2	T547	L545-T547 PolarHBondContact O-N 3.5Å
546	D	37.7	Very low	61	Low	120 Å²	120	95.2 Å²	95.2	64%	0.642	51%	0.511	S	S	*	.			trans	-72.1	62.8	178.6	-169.6	35	0	0	0	109.9	N544 K548	N544-D546 PolarHBondContact O-N 2.92Å; D546-K548 VanDerWaalsContact C-N 3.29Å; D546-K548 PolarHBondContact O-N 3.07Å
547	T	47.3	Very low	61.3	Low	91 Å²	91	97 Å²	97	56%	0.558	53%	0.53	S	S	*	.			trans	-67.9	86.9	179.6	48.2	0	0	0	0	109.4	L545 M549	L545-T547 PolarHBondContact O-N 3.5Å; T547-M549 PolarHBondContact O-N 2.98Å
548	K	45.6	Very low	61.8	Low	173 Å²	173	98 Å²	98	75%	0.752	55%	0.546	S	S	*	.			trans	-53.6	94.3	-179.9	-76.7	169.4	-178.1	160.7	0	111.5	D546 K550	D546-K548 VanDerWaalsContact C-N 3.29Å; D546-K548 PolarHBondContact O-N 3.07Å; K548-K550 PolarHBondContact O-N 3.18Å
549	M	47.6	Very low	62.7	Low	84 Å²	84	99.3 Å²	99.3	41%	0.414	56%	0.559	S	S	.	*			trans	-50.8	123.3	-179.9	-166.1	-163.6	-159.2	0	0	110.1	T547 S629 Q631	T547-M549 PolarHBondContact O-N 2.98Å; M549-S629 VanDerWaalsContact CE-O 3.28Å; M549-S629 WeakPolarHBondContact CE-O 3.5Å; M549-S629 VanDerWaalsContact SD-O 3.35Å; M549-Q631 HydrophobicContact SD-CG 4.04Å
550	K	57.8	Low	63.4	Low	108 Å²	108	99.6 Å²	99.6	47%	0.47	56%	0.558	S	S	.	*			trans	-61.3	139.9	179.8	-62.7	177.1	-171	171.1	0	109.6	K548 S552 E682	K548-K550 PolarHBondContact O-N 3.18Å; K550-S552 PolarHBondContact O-N 3.1Å; K550-E682 IonicContact NZ-OE2 2.61Å; K550-E682 PolarHBondContact NZ-OE2 3.48Å
551	S	58.8	Low	64.6	Low	94 Å²	94	93.1 Å²	93.1	66%	0.657	53%	0.532	S	S	*	.			trans	-66	107.8	-170.1	62.3	0	0	0	0	112.6	I553	S551-I553 PolarHBondContact O-N 3.01Å
552	S	70.4	Confident	66	Low	55 Å²	55	91.3 Å²	91.3	39%	0.385	52%	0.521	S	S	.	.			trans	-72.4	27.1	-178.5	52.8	0	0	0	0	115.1	K550 A554 H593	K550-S552 PolarHBondContact O-N 3.1Å; S552-A554 PolarHBondContact O-N 3.43Å; S552-H593 WeakPolarHBondContact O-CB 3.48Å
553	I	79.9	Confident	67.5	Low	98 Å²	98	93.1 Å²	93.1	50%	0.503	52%	0.523	S	S	.	.			trans	-83.8	97.4	-169.2	-55.2	172.4	0	0	0	110.8	S551 K556	S551-I553 PolarHBondContact O-N 3.01Å; I553-K556 HydrophobicContact CG2-CG 4.01Å
554	A	82.5	Confident	69.3	Low	12 Å²	12	92.7 Å²	92.7	10%	0.099	51%	0.512	C	S	.	.	S	Bend	trans	-52.1	-57.2	173.5	0	0	0	0	0	113.4	S552 Y578 T580 P591 H593	S552-A554 PolarHBondContact O-N 3.43Å; A554-Y578 WeakPolarHBondContact O-CD1 3.19Å; A554-T580 WeakPolarHBondContact CA-OG1 3.25Å; A554-T580 HydrophobicContact CB-CG2 3.87Å; A554-T580 WeakPolarHBondContact CB-OG1 3.31Å; A554-P591 HydrophobicContact CB-CB 4.24Å; A554-H593 HydrophobicContact CB-CB 4.27Å
555	Y	88.7	Confident	71.5	Confident	35 Å²	35	89.6 Å²	89.6	14%	0.137	50%	0.496	C	S	.	.			trans	-135.4	135	179.2	-60.1	-59.5	0	0	0	110.6	G557 Q560 P562 D575 Y578 T580 I582 P591	Y555-G557 VanDerWaalsContact C-N 3.28Å; Y555-G557 PolarHBondContact O-N 2.89Å; Y555-Q560 HydrophobicContact CD1-CB 3.79Å; Y555-Q560 HydrophobicContact CG-CB 4.41Å; Y555-P562 WeakPolarHBondContact OH-CD 3.39Å; Y555-P562 WeakPolarHBondContact OH-CG 3.48Å; Y555-D575 WeakPolarHBondContact CE1-OD2 3.39Å; Y555-D575 VanDerWaalsContact OH-CB 3.26Å; Y555-D575 WeakPolarHBondContact OH-CB 3.18Å; Y555-D575 PolarHBondContact OH-OD2 2.98Å; Y555-Y578 HydrophobicContact CD1-CD1 4.02Å; Y555-Y578 HydrophobicContact CD1-CD2 4.19Å; Y555-Y578 HydrophobicContact CD1-CE1 4.46Å; Y555-Y578 AromaticContact CD1-CG 3.87Å; Y555-Y578 HydrophobicContact CD1-CG 3.87Å; Y555-Y578 HydrophobicContact CE1-CD1 4.18Å; Y555-Y578 AromaticContact CE1-CD2 3.64Å; Y555-Y578 HydrophobicContact CE1-CD2 3.64Å; Y555-Y578 HydrophobicContact CE1-CE2 4.32Å; Y555-Y578 AromaticContact CE1-CG 3.54Å; Y555-Y578 HydrophobicContact CE1-CG 3.54Å; Y555-T580 HydrophobicContact CE2-CG2 3.83Å; Y555-I582 HydrophobicContact CE2-CD1 4.36Å; Y555-P591 HydrophobicContact CD2-CB 3.79Å; Y555-P591 HydrophobicContact CD2-CG 4.06Å; Y555-P591 HydrophobicContact CE2-CB 3.71Å; Y555-P591 HydrophobicContact CE2-CG 4.42Å
556	K	84.6	Confident	73.5	Confident	174 Å²	174	85.3 Å²	85.3	76%	0.757	47%	0.474	S	S	*	.	S	Bend	trans	-82.6	-2.1	176.7	-63.2	-171	178.1	-174.4	0	113.6	I553	I553-K556 HydrophobicContact CG2-CG 4.01Å
557	G	85.3	Confident	75.8	Confident	38 Å²	38	80.2 Å²	80.2	39%	0.392	45%	0.447	S	S	.	.	S	Bend	trans	169.2	158.2	175.6	0	0	0	0	0	112.7	Y555 G559 Q560	Y555-G557 VanDerWaalsContact C-N 3.28Å; Y555-G557 PolarHBondContact O-N 2.89Å; G557-G559 PolarHBondContact O-N 2.9Å; G557-Q560 PolarHBondContact O-N 3.29Å
558	A	84	Confident	77.6	Confident	94 Å²	94	83.3 Å²	83.3	78%	0.777	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-55.7	-24.9	-170.8	0	0	0	0	0	115.2	Q560 M561	A558-Q560 PolarHBondContact O-N 3.2Å; A558-M561 WeakPolarHBondContact O-CB 3.4Å; A558-M561 PolarHBondContact O-N 2.92Å
559	G	84.8	Confident	79.5	Confident	81 Å²	81	80.5 Å²	80.5	84%	0.835	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-65.6	-14.7	175.8	0	0	0	0	0	115.2	G557	G557-G559 PolarHBondContact O-N 2.9Å
560	Q	84.6	Confident	81.3	Confident	71 Å²	71	80.4 Å²	80.4	33%	0.332	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-88.3	-10.7	176.2	-64.6	-177.7	-27.6	0	0	113.4	Y555 G557 A558	Y555-Q560 HydrophobicContact CD1-CB 3.79Å; Y555-Q560 HydrophobicContact CG-CB 4.41Å; G557-Q560 PolarHBondContact O-N 3.29Å; A558-Q560 PolarHBondContact O-N 3.2Å
561	M	84.4	Confident	82.6	Confident	51 Å²	51	80 Å²	80	25%	0.251	43%	0.432	S	S	.	.	S	Bend	trans	-71.5	133.6	-172.5	-164.5	173.1	-165	0	0	112.3	A558 K563 V567 I582 P589	A558-M561 WeakPolarHBondContact O-CB 3.4Å; A558-M561 PolarHBondContact O-N 2.92Å; M561-K563 PolarHBondContact O-N 3.02Å; M561-V567 HydrophobicContact CE-CG1 4.32Å; M561-I582 HydrophobicContact CE-CD1 4.14Å; M561-I582 HydrophobicContact CE-CG2 4.08Å; M561-P589 HydrophobicContact CE-CB 3.71Å; M561-P589 HydrophobicContact CE-CG 3.77Å; M561-P589 VanDerWaalsContact CE-O 3.27Å; M561-P589 WeakPolarHBondContact CE-O 3.12Å
562	P	85.6	Confident	84.1	Confident	24 Å²	24	76 Å²	76	16%	0.156	40%	0.403	C	S	.	.			trans	-55.1	132.1	176.3	-28.5	34.8	0	0	0	113.1	Y555 E564 V567 F573 D575 I582	Y555-P562 WeakPolarHBondContact OH-CD 3.39Å; Y555-P562 WeakPolarHBondContact OH-CG 3.48Å; P562-E564 VanDerWaalsContact C-N 3.28Å; P562-E564 PolarHBondContact O-N 3.11Å; P562-V567 HydrophobicContact CB-CG2 4.37Å; P562-F573 HydrophobicContact CB-CD1 4.32Å; P562-F573 HydrophobicContact CB-CE1 3.76Å; P562-F573 HydrophobicContact CB-CZ 4.26Å; P562-F573 HydrophobicContact CG-CD1 4.32Å; P562-F573 HydrophobicContact CG-CE1 3.75Å; P562-D575 HydrophobicContact CG-CB 4.16Å; P562-D575 VanDerWaalsContact CG-OD2 3.25Å; P562-D575 WeakPolarHBondContact CG-OD2 3.46Å; P562-I582 HydrophobicContact CG-CD1 4Å
563	K	84.1	Confident	85.1	Confident	172 Å²	172	75.6 Å²	75.6	75%	0.748	40%	0.395	S	S	*	.			trans	-94.7	20.1	177.5	-62.1	-178.3	-178.6	176.9	0	112.4	M561 R568	M561-K563 PolarHBondContact O-N 3.02Å; K563-R568 VanDerWaalsContact O-CZ 3.28Å; K563-R568 PolarHBondContact O-NE 3.35Å; K563-R568 PolarHBondContact O-NH2 3.25Å
564	E	84.4	Confident	85.7	Confident	107 Å²	107	71.7 Å²	71.7	50%	0.5	38%	0.376	S	S	.	.			trans	-66.2	157.2	-174.5	-74.2	-54.4	146.9	0	0	113.4	P562 D566 V567 R568 F573	P562-E564 VanDerWaalsContact C-N 3.28Å; P562-E564 PolarHBondContact O-N 3.11Å; E564-D566 VanDerWaalsContact C-N 3.28Å; E564-D566 PolarHBondContact O-N 3.45Å; E564-V567 PolarHBondContact O-N 2.7Å; E564-R568 PolarHBondContact O-N 2.88Å; E564-R568 VanDerWaalsContact O-N 3.11Å; E564-F573 HydrophobicContact CB-CD2 4.27Å; E564-F573 HydrophobicContact CB-CE2 3.81Å; E564-F573 HydrophobicContact CB-CZ 4.22Å; E564-F573 HydrophobicContact CG-CE2 3.75Å; E564-F573 HydrophobicContact CG-CZ 3.83Å
565	D	83.3	Confident	86.1	Confident	65 Å²	65	72 Å²	72	35%	0.348	38%	0.375	S	S	.	.	H	α-helix	trans	-63.7	-34.1	-174.8	-120.3	52.9	0	0	0	112	R568 K569	D565-R568 PolarHBondContact O-N 2.91Å; D565-R568 IonicContact OD1-CZ 3.11Å; D565-R568 IonicContact OD1-NH1 2.7Å; D565-R568 PolarHBondContact OD1-NH1 2.85Å; D565-R568 IonicContact OD1-NH2 2.74Å; D565-R568 PolarHBondContact OD1-NH2 3.26Å; D565-K569 VanDerWaalsContact O-CB 3.29Å; D565-K569 WeakPolarHBondContact O-CB 3.5Å; D565-K569 WeakPolarHBondContact O-CD 3.42Å; D565-K569 WeakPolarHBondContact O-CG 3.46Å; D565-K569 PolarHBondContact O-N 3.01Å; D565-K569 WeakPolarHBondContact OD2-CE 3.44Å; D565-K569 IonicContact OD2-NZ 2.74Å; D565-K569 PolarHBondContact OD2-NZ 3.47Å
566	D	82.3	Confident	86.1	Confident	45 Å²	45	75 Å²	75	24%	0.241	39%	0.39	C	S	.	.	H	α-helix	trans	-72	-39	178.8	-68.6	-55.9	0	0	0	112.8	E564 R568 K569 L570 R571 F573	E564-D566 VanDerWaalsContact C-N 3.28Å; E564-D566 PolarHBondContact O-N 3.45Å; D566-R568 VanDerWaalsContact C-N 3.34Å; D566-R568 PolarHBondContact O-N 2.74Å; D566-K569 CarbonylContact O-C 3.43Å; D566-K569 PolarHBondContact O-N 3.43Å; D566-K569 VanDerWaalsContact O-N 3.12Å; D566-L570 PolarHBondContact O-N 2.67Å; D566-L570 VanDerWaalsContact O-N 3.16Å; D566-R571 HydrophobicContact CB-CB 3.98Å; D566-R571 WeakPolarHBondContact O-CB 3.45Å; D566-R571 PolarHBondContact O-N 2.87Å; D566-R571 WeakPolarHBondContact OD1-CD 2.82Å; D566-R571 IonicContact OD1-CZ 3.74Å; D566-R571 IonicContact OD1-NE 2.77Å; D566-R571 IonicContact OD1-NH1 2.84Å; D566-R571 PolarHBondContact OD1-NH1 3.18Å; D566-F573 HydrophobicContact CB-CD2 4.45Å
567	V	85.8	Confident	86.2	Confident	12 Å²	12	74.5 Å²	74.5	7%	0.073	39%	0.387	C	S	.	.	H	α-helix	trans	-61.8	-44.1	172	-178.9	0	0	0	0	110.2	M561 P562 E564 K569 L570 F573 I582 P589	M561-V567 HydrophobicContact CE-CG1 4.32Å; P562-V567 HydrophobicContact CB-CG2 4.37Å; E564-V567 PolarHBondContact O-N 2.7Å; V567-K569 PolarHBondContact O-N 2.81Å; V567-L570 PolarHBondContact O-N 3.49Å; V567-F573 HydrophobicContact CG2-CB 3.63Å; V567-F573 HydrophobicContact CG2-CD1 3.85Å; V567-F573 HydrophobicContact CG2-CD2 4.28Å; V567-F573 HydrophobicContact CG2-CG 3.65Å; V567-I582 HydrophobicContact CG1-CG2 4.45Å; V567-I582 HydrophobicContact CG2-CD1 3.98Å; V567-P589 HydrophobicContact CG1-CB 4.06Å; V567-P589 HydrophobicContact CG1-CG 4.5Å
568	R	84.6	Confident	86.4	Confident	157 Å²	157	75.9 Å²	75.9	59%	0.592	38%	0.381	S	S	*	.	H	α-helix	trans	-67.8	-19.9	175.5	-76	-175.6	-80.3	106.1	3.5	113.9	K563 E564 D565 D566	K563-R568 VanDerWaalsContact O-CZ 3.28Å; K563-R568 PolarHBondContact O-NE 3.35Å; K563-R568 PolarHBondContact O-NH2 3.25Å; E564-R568 PolarHBondContact O-N 2.88Å; E564-R568 VanDerWaalsContact O-N 3.11Å; D565-R568 PolarHBondContact O-N 2.91Å; D565-R568 IonicContact OD1-CZ 3.11Å; D565-R568 IonicContact OD1-NH1 2.7Å; D565-R568 PolarHBondContact OD1-NH1 2.85Å; D565-R568 IonicContact OD1-NH2 2.74Å; D565-R568 PolarHBondContact OD1-NH2 3.26Å; D566-R568 VanDerWaalsContact C-N 3.34Å; D566-R568 PolarHBondContact O-N 2.74Å
569	K	85.2	Confident	86.6	Confident	114 Å²	114	72.9 Å²	72.9	50%	0.496	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	11.1	175.9	-72.3	168	-173.1	166.8	0	113.4	D565 D566 V567 R571	D565-K569 VanDerWaalsContact O-CB 3.29Å; D565-K569 WeakPolarHBondContact O-CB 3.5Å; D565-K569 WeakPolarHBondContact O-CD 3.42Å; D565-K569 WeakPolarHBondContact O-CG 3.46Å; D565-K569 PolarHBondContact O-N 3.01Å; D565-K569 WeakPolarHBondContact OD2-CE 3.44Å; D565-K569 IonicContact OD2-NZ 2.74Å; D565-K569 PolarHBondContact OD2-NZ 3.47Å; D566-K569 CarbonylContact O-C 3.43Å; D566-K569 PolarHBondContact O-N 3.43Å; D566-K569 VanDerWaalsContact O-N 3.12Å; V567-K569 PolarHBondContact O-N 2.81Å; K569-R571 VanDerWaalsContact C-N 3.26Å; K569-R571 HydrophobicContact CB-CG 4.34Å; K569-R571 PolarHBondContact O-N 2.75Å
570	L	85.6	Confident	87	Confident	82 Å²	82	69 Å²	69	43%	0.429	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	42.2	-178.8	-60.6	172.4	0	0	0	113	D566 V567 P584 G587	D566-L570 PolarHBondContact O-N 2.67Å; D566-L570 VanDerWaalsContact O-N 3.16Å; V567-L570 PolarHBondContact O-N 3.49Å; L570-P584 HydrophobicContact CB-CB 4.1Å; L570-P584 WeakPolarHBondContact O-CB 3.09Å; L570-P584 WeakPolarHBondContact O-CG 3.15Å; L570-G587 VanDerWaalsContact CD2-O 3.3Å; L570-G587 WeakPolarHBondContact CD2-O 3.41Å
571	R	86.5	Confident	87.3	Confident	98 Å²	98	65.7 Å²	65.7	37%	0.37	30%	0.296	S	S	.	.			trans	-102.1	156.6	172	-68.4	167.7	168.2	-163.6	-8.4	109.9	D566 K569 F573	D566-R571 HydrophobicContact CB-CB 3.98Å; D566-R571 WeakPolarHBondContact O-CB 3.45Å; D566-R571 PolarHBondContact O-N 2.87Å; D566-R571 WeakPolarHBondContact OD1-CD 2.82Å; D566-R571 IonicContact OD1-CZ 3.74Å; D566-R571 IonicContact OD1-NE 2.77Å; D566-R571 IonicContact OD1-NH1 2.84Å; D566-R571 PolarHBondContact OD1-NH1 3.18Å; K569-R571 VanDerWaalsContact C-N 3.26Å; K569-R571 HydrophobicContact CB-CG 4.34Å; K569-R571 PolarHBondContact O-N 2.75Å; R571-F573 PolarHBondContact O-N 3.29Å
572	L	90.3	Very high	87.7	Confident	10 Å²	10	63.3 Å²	63.3	5%	0.052	28%	0.284	C	S	.	.			trans	-62.2	131	170.9	-70.1	79.7	0	0	0	109.2	L583 P584 L611 I613 Y643 N660 L661 A664	L572-L583 HydrophobicContact CD2-CD2 3.61Å; L572-L583 HydrophobicContact CG-CD2 3.78Å; L572-P584 HydrophobicContact CD1-CG 4.34Å; L572-L611 HydrophobicContact CD2-CD2 3.8Å; L572-I613 HydrophobicContact CD2-CD1 4.08Å; L572-Y643 HydrophobicContact CD1-CD1 4.03Å; L572-Y643 HydrophobicContact CD1-CD2 4.46Å; L572-Y643 HydrophobicContact CD1-CG 3.98Å; L572-Y643 HydrophobicContact CD2-CD2 4.23Å; L572-Y643 HydrophobicContact CD2-CG 4.45Å; L572-N660 PolarHBondContact O-ND2 3.09Å; L572-N660 VanDerWaalsContact O-ND2 3.1Å; L572-L661 HydrophobicContact CD1-CD1 4.38Å; L572-A664 HydrophobicContact CB-CB 4.18Å
573	F	91	Very high	88	Confident	47 Å²	47	62.1 Å²	62.1	21%	0.206	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144.7	178	179.2	-91.6	0	0	0	109.6	P562 E564 D566 V567 R571 D575 I582	P562-F573 HydrophobicContact CB-CD1 4.32Å; P562-F573 HydrophobicContact CB-CE1 3.76Å; P562-F573 HydrophobicContact CB-CZ 4.26Å; P562-F573 HydrophobicContact CG-CD1 4.32Å; P562-F573 HydrophobicContact CG-CE1 3.75Å; E564-F573 HydrophobicContact CB-CD2 4.27Å; E564-F573 HydrophobicContact CB-CE2 3.81Å; E564-F573 HydrophobicContact CB-CZ 4.22Å; E564-F573 HydrophobicContact CG-CE2 3.75Å; E564-F573 HydrophobicContact CG-CZ 3.83Å; D566-F573 HydrophobicContact CB-CD2 4.45Å; V567-F573 HydrophobicContact CG2-CB 3.63Å; V567-F573 HydrophobicContact CG2-CD1 3.85Å; V567-F573 HydrophobicContact CG2-CD2 4.28Å; V567-F573 HydrophobicContact CG2-CG 3.65Å; R571-F573 PolarHBondContact O-N 3.29Å; F573-D575 HydrophobicContact CE1-CB 4.11Å; F573-I582 HydrophobicContact CB-CB 4.45Å; F573-I582 HydrophobicContact CD1-CD1 4.05Å; F573-I582 PolarHBondContact N-O 3.42Å; F573-I582 PolarHBondContact O-N 2.73Å
574	V	91.5	Very high	88.4	Confident	17 Å²	17	55 Å²	55	10%	0.103	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.7	178.1	-169.6	0	0	0	0	109.8	K576 V581 I667 I668 V671	V574-K576 PolarHBondContact O-N 3.48Å; V574-V581 HydrophobicContact CG1-CG2 4.32Å; V574-V581 HydrophobicContact CG2-CG1 4.43Å; V574-I667 HydrophobicContact CB-CB 4.49Å; V574-I667 HydrophobicContact CB-CG2 3.63Å; V574-I667 HydrophobicContact CG1-CG2 3.77Å; V574-I667 HydrophobicContact CG2-CB 4.33Å; V574-I667 HydrophobicContact CG2-CG2 3.98Å; V574-I668 HydrophobicContact CG2-CD1 4.41Å; V574-I668 HydrophobicContact CG2-CG1 3.74Å; V574-V671 HydrophobicContact CG1-CG2 4.26Å
575	D	90.8	Very high	88.8	Confident	17 Å²	17	51.7 Å²	51.7	9%	0.091	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	99.1	172.6	-171.1	-25.8	0	0	0	109.6	Y555 P562 F573 K577 Y578 E579 T580	Y555-D575 WeakPolarHBondContact CE1-OD2 3.39Å; Y555-D575 VanDerWaalsContact OH-CB 3.26Å; Y555-D575 WeakPolarHBondContact OH-CB 3.18Å; Y555-D575 PolarHBondContact OH-OD2 2.98Å; P562-D575 HydrophobicContact CG-CB 4.16Å; P562-D575 VanDerWaalsContact CG-OD2 3.25Å; P562-D575 WeakPolarHBondContact CG-OD2 3.46Å; F573-D575 HydrophobicContact CE1-CB 4.11Å; D575-K577 PolarHBondContact O-N 2.77Å; D575-K577 WeakPolarHBondContact OD1-CA 3.36Å; D575-K577 VanDerWaalsContact OD1-CB 3.31Å; D575-K577 WeakPolarHBondContact OD1-CB 3.38Å; D575-K577 PolarHBondContact OD1-N 2.87Å; D575-Y578 PolarHBondContact OD1-N 2.89Å; D575-Y578 WeakPolarHBondContact OD2-CD2 3.44Å; D575-E579 WeakPolarHBondContact O-CA 3.14Å; D575-E579 PolarHBondContact O-N 2.71Å; D575-T580 PolarHBondContact N-O 2.84Å; D575-T580 PolarHBondContact O-N 2.96Å
576	K	88.8	Confident	89	Confident	100 Å²	100	58.8 Å²	58.8	44%	0.435	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.9	176	-71.1	-169.6	172.5	-172.6	0	114.2	V574 I667 E670 V671	V574-K576 PolarHBondContact O-N 3.48Å; K576-I667 HydrophobicContact CD-CG2 4.49Å; K576-I667 VanDerWaalsContact CE-CG2 3.45Å; K576-I667 HydrophobicContact CG-CG2 4.25Å; K576-E670 IonicContact NZ-OE1 2.71Å; K576-E670 PolarHBondContact NZ-OE1 2.85Å; K576-E670 IonicContact NZ-OE2 3.48Å; K576-E670 PolarHBondContact NZ-OE2 3.46Å; K576-V671 HydrophobicContact CG-CG2 4.06Å
577	K	88	Confident	89.3	Confident	163 Å²	163	58.6 Å²	58.6	71%	0.709	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-37.6	-178.4	-178.8	-170.9	172.2	-168.4	0	111.9	D575	D575-K577 PolarHBondContact O-N 2.77Å; D575-K577 WeakPolarHBondContact OD1-CA 3.36Å; D575-K577 VanDerWaalsContact OD1-CB 3.31Å; D575-K577 WeakPolarHBondContact OD1-CB 3.38Å; D575-K577 PolarHBondContact OD1-N 2.87Å
578	Y	88.7	Confident	89.4	Confident	67 Å²	67	63.7 Å²	63.7	26%	0.263	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	12.7	175.5	-71.4	-87.1	0	0	0	112.7	A554 Y555 D575 T580	A554-Y578 WeakPolarHBondContact O-CD1 3.19Å; Y555-Y578 HydrophobicContact CD1-CD1 4.02Å; Y555-Y578 HydrophobicContact CD1-CD2 4.19Å; Y555-Y578 HydrophobicContact CD1-CE1 4.46Å; Y555-Y578 AromaticContact CD1-CG 3.87Å; Y555-Y578 HydrophobicContact CD1-CG 3.87Å; Y555-Y578 HydrophobicContact CE1-CD1 4.18Å; Y555-Y578 AromaticContact CE1-CD2 3.64Å; Y555-Y578 HydrophobicContact CE1-CD2 3.64Å; Y555-Y578 HydrophobicContact CE1-CE2 4.32Å; Y555-Y578 AromaticContact CE1-CG 3.54Å; Y555-Y578 HydrophobicContact CE1-CG 3.54Å; D575-Y578 PolarHBondContact OD1-N 2.89Å; D575-Y578 WeakPolarHBondContact OD2-CD2 3.44Å; Y578-T580 WeakPolarHBondContact O-CB 2.88Å; Y578-T580 PolarHBondContact O-N 3.4Å; Y578-T580 VanDerWaalsContact O-N 3.1Å; Y578-T580 PolarHBondContact O-OG1 3.32Å
579	E	89.3	Confident	89.7	Confident	31 Å²	31	58.3 Å²	58.3	15%	0.145	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	45.9	177.9	-55.5	-168.5	134.7	0	0	112.1	D575 I594 V671 R678	D575-E579 WeakPolarHBondContact O-CA 3.14Å; D575-E579 PolarHBondContact O-N 2.71Å; E579-I594 HydrophobicContact CB-CG2 3.89Å; E579-I594 WeakPolarHBondContact O-CB 3.44Å; E579-I594 PolarHBondContact O-N 3.2Å; E579-V671 HydrophobicContact CB-CG1 4.16Å; E579-V671 HydrophobicContact CG-CG1 4.38Å; E579-R678 IonicContact OE1-CZ 3.92Å; E579-R678 IonicContact OE1-NH1 3.66Å; E579-R678 PolarHBondContact OE1-NH1 2.95Å; E579-R678 IonicContact OE1-NH2 2.67Å; E579-R678 PolarHBondContact OE1-NH2 3.44Å; E579-R678 IonicContact OE2-CZ 2.71Å; E579-R678 IonicContact OE2-NH1 2.62Å; E579-R678 PolarHBondContact OE2-NH1 2.78Å; E579-R678 IonicContact OE2-NH2 3.9Å
580	T	91.7	Very high	90	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.3	-165.3	-73.7	0	0	0	0	111.4	A554 Y555 D575 Y578 I582 P591 F592	A554-T580 WeakPolarHBondContact CA-OG1 3.25Å; A554-T580 HydrophobicContact CB-CG2 3.87Å; A554-T580 WeakPolarHBondContact CB-OG1 3.31Å; Y555-T580 HydrophobicContact CE2-CG2 3.83Å; D575-T580 PolarHBondContact N-O 2.84Å; D575-T580 PolarHBondContact O-N 2.96Å; Y578-T580 WeakPolarHBondContact O-CB 2.88Å; Y578-T580 PolarHBondContact O-N 3.4Å; Y578-T580 VanDerWaalsContact O-N 3.1Å; Y578-T580 PolarHBondContact O-OG1 3.32Å; T580-I582 HydrophobicContact CG2-CG1 4.35Å; T580-P591 HydrophobicContact CG2-CB 3.61Å; T580-F592 CarbonylContact C-O 3.55Å; T580-F592 WeakPolarHBondContact CA-O 2.85Å
581	V	92.3	Very high	90.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.2	172.6	-171.4	0	0	0	0	108.6	V574 L583 F592 I594 I597 I668	V574-V581 HydrophobicContact CG1-CG2 4.32Å; V574-V581 HydrophobicContact CG2-CG1 4.43Å; V581-L583 HydrophobicContact CG1-CD2 3.58Å; V581-L583 HydrophobicContact CG1-CG 3.99Å; V581-F592 PolarHBondContact N-O 2.8Å; V581-F592 PolarHBondContact O-N 3.36Å; V581-I594 HydrophobicContact CG2-CD1 4.46Å; V581-I597 HydrophobicContact CB-CD1 4.02Å; V581-I597 HydrophobicContact CG2-CD1 3.58Å; V581-I668 HydrophobicContact CG1-CD1 3.92Å; V581-I668 HydrophobicContact CG1-CG1 4.35Å; V581-I668 HydrophobicContact CG2-CD1 4.19Å; V581-I668 HydrophobicContact CG2-CG1 3.85Å
582	I	92.5	Very high	90.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.3	175.5	-55.3	179.4	0	0	0	108.2	Y555 M561 P562 V567 F573 T580 P589 T590	Y555-I582 HydrophobicContact CE2-CD1 4.36Å; M561-I582 HydrophobicContact CE-CD1 4.14Å; M561-I582 HydrophobicContact CE-CG2 4.08Å; P562-I582 HydrophobicContact CG-CD1 4Å; V567-I582 HydrophobicContact CG1-CG2 4.45Å; V567-I582 HydrophobicContact CG2-CD1 3.98Å; F573-I582 HydrophobicContact CB-CB 4.45Å; F573-I582 HydrophobicContact CD1-CD1 4.05Å; F573-I582 PolarHBondContact N-O 3.42Å; F573-I582 PolarHBondContact O-N 2.73Å; T580-I582 HydrophobicContact CG2-CG1 4.35Å; I582-P589 HydrophobicContact CG2-CB 3.64Å; I582-T590 WeakPolarHBondContact CA-O 3.23Å
583	L	92.2	Very high	90.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.6	-175.3	-62.8	-177.5	0	0	0	110.9	L572 V581 I585 T590 F592 I613 F615 M641 Y643	L572-L583 HydrophobicContact CD2-CD2 3.61Å; L572-L583 HydrophobicContact CG-CD2 3.78Å; V581-L583 HydrophobicContact CG1-CD2 3.58Å; V581-L583 HydrophobicContact CG1-CG 3.99Å; L583-I585 HydrophobicContact CB-CG1 4.45Å; L583-I585 PolarHBondContact O-N 3.4Å; L583-T590 PolarHBondContact N-O 3.15Å; L583-T590 PolarHBondContact O-N 2.98Å; L583-F592 HydrophobicContact CB-CD2 4.22Å; L583-F592 HydrophobicContact CB-CE2 4.15Å; L583-F592 HydrophobicContact CD1-CD2 3.75Å; L583-F592 HydrophobicContact CD1-CE2 3.94Å; L583-F592 HydrophobicContact CD1-CG 4.49Å; L583-F592 HydrophobicContact CG-CD2 4.05Å; L583-F592 HydrophobicContact CG-CE2 4.37Å; L583-I613 HydrophobicContact CD1-CD1 3.97Å; L583-I613 HydrophobicContact CD2-CD1 3.57Å; L583-I613 HydrophobicContact CG-CD1 4.44Å; L583-F615 HydrophobicContact CD1-CZ 3.81Å; L583-M641 HydrophobicContact CD1-SD 4.29Å; L583-Y643 HydrophobicContact CB-CE2 4.28Å; L583-Y643 HydrophobicContact CD1-CE2 4.3Å; L583-Y643 HydrophobicContact CD2-CE2 4.08Å; L583-Y643 HydrophobicContact CG-CE2 4.46Å
584	P	91.8	Very high	90.5	Very high	22 Å²	22	49.2 Å²	49.2	14%	0.143	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	82.8	-177.3	32.3	-34.2	0	0	0	111.8	L570 L572 F586 L588 Y643	L570-P584 HydrophobicContact CB-CB 4.1Å; L570-P584 WeakPolarHBondContact O-CB 3.09Å; L570-P584 WeakPolarHBondContact O-CG 3.15Å; L572-P584 HydrophobicContact CD1-CG 4.34Å; P584-F586 PolarHBondContact O-N 3.4Å; P584-L588 CarbonylContact C-O 3.5Å; P584-L588 WeakPolarHBondContact CA-O 3.5Å; P584-Y643 HydrophobicContact CG-CD1 4.43Å; P584-Y643 HydrophobicContact CG-CE1 3.78Å
585	I	92	Very high	90.2	Very high	38 Å²	38	50.2 Å²	50.2	20%	0.195	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	109.6	179.9	-52.6	-165.2	0	0	0	109.9	L583 G587 L588 T590 F592 M641	L583-I585 HydrophobicContact CB-CG1 4.45Å; L583-I585 PolarHBondContact O-N 3.4Å; I585-G587 PolarHBondContact O-N 3.49Å; I585-L588 PolarHBondContact N-O 2.92Å; I585-L588 WeakPolarHBondContact O-CB 3.41Å; I585-L588 PolarHBondContact O-N 3.26Å; I585-T590 HydrophobicContact CD1-CG2 4.13Å; I585-F592 HydrophobicContact CD1-CE2 3.72Å; I585-F592 HydrophobicContact CD1-CZ 3.72Å; I585-M641 HydrophobicContact CD1-CE 3.78Å; I585-M641 HydrophobicContact CD1-SD 3.77Å; I585-M641 HydrophobicContact CG1-CE 3.88Å; I585-M641 HydrophobicContact CG1-SD 4.35Å
586	F	89.1	Confident	90.1	Very high	213 Å²	213	51.4 Å²	51.4	93%	0.934	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	32.8	179.3	-57.5	-59.7	0	0	0	114.7	P584	P584-F586 PolarHBondContact O-N 3.4Å
587	G	87	Confident	90.1	Very high	41 Å²	41	46.6 Å²	46.6	42%	0.423	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	0.1	-178.2	0	0	0	0	0	115.5	L570 I585	L570-G587 VanDerWaalsContact CD2-O 3.3Å; L570-G587 WeakPolarHBondContact CD2-O 3.41Å; I585-G587 PolarHBondContact O-N 3.49Å
588	L	89.5	Confident	90.1	Very high	120 Å²	120	42.5 Å²	42.5	63%	0.628	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.2	172.3	-58	178	0	0	0	110.3	P584 I585 T590	P584-L588 CarbonylContact C-O 3.5Å; P584-L588 WeakPolarHBondContact CA-O 3.5Å; I585-L588 PolarHBondContact N-O 2.92Å; I585-L588 WeakPolarHBondContact O-CB 3.41Å; I585-L588 PolarHBondContact O-N 3.26Å; L588-T590 PolarHBondContact O-N 2.67Å; L588-T590 VanDerWaalsContact O-N 3.13Å
589	P	89.6	Confident	90.2	Very high	44 Å²	44	42.4 Å²	42.4	29%	0.286	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	93.6	173.9	30	-32.2	0	0	0	110.3	M561 V567 I582	M561-P589 HydrophobicContact CE-CB 3.71Å; M561-P589 HydrophobicContact CE-CG 3.77Å; M561-P589 VanDerWaalsContact CE-O 3.27Å; M561-P589 WeakPolarHBondContact CE-O 3.12Å; V567-P589 HydrophobicContact CG1-CB 4.06Å; V567-P589 HydrophobicContact CG1-CG 4.5Å; I582-P589 HydrophobicContact CG2-CB 3.64Å
590	T	91	Very high	90.4	Very high	45 Å²	45	41.4 Å²	41.4	28%	0.276	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	124.6	-176.3	-56	0	0	0	0	111.1	I582 L583 I585 L588 F592	I582-T590 WeakPolarHBondContact CA-O 3.23Å; L583-T590 PolarHBondContact N-O 3.15Å; L583-T590 PolarHBondContact O-N 2.98Å; I585-T590 HydrophobicContact CD1-CG2 4.13Å; L588-T590 PolarHBondContact O-N 2.67Å; L588-T590 VanDerWaalsContact O-N 3.13Å; T590-F592 HydrophobicContact CG2-CD2 4.27Å; T590-F592 HydrophobicContact CG2-CE2 3.53Å; T590-F592 HydrophobicContact CG2-CZ 3.85Å
591	P	91.7	Very high	90.5	Very high	53 Å²	53	43.9 Å²	43.9	34%	0.344	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.6	178.6	33.3	-33.3	0	0	0	112.7	A554 Y555 T580	A554-P591 HydrophobicContact CB-CB 4.24Å; Y555-P591 HydrophobicContact CD2-CB 3.79Å; Y555-P591 HydrophobicContact CD2-CG 4.06Å; Y555-P591 HydrophobicContact CE2-CB 3.71Å; Y555-P591 HydrophobicContact CE2-CG 4.42Å; T580-P591 HydrophobicContact CG2-CB 3.61Å
592	F	92	Very high	90.5	Very high	33 Å²	33	46.5 Å²	46.5	15%	0.145	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.7	172	-66.8	-94	0	0	0	109.6	T580 V581 L583 I585 T590 F615	T580-F592 CarbonylContact C-O 3.55Å; T580-F592 WeakPolarHBondContact CA-O 2.85Å; V581-F592 PolarHBondContact N-O 2.8Å; V581-F592 PolarHBondContact O-N 3.36Å; L583-F592 HydrophobicContact CB-CD2 4.22Å; L583-F592 HydrophobicContact CB-CE2 4.15Å; L583-F592 HydrophobicContact CD1-CD2 3.75Å; L583-F592 HydrophobicContact CD1-CE2 3.94Å; L583-F592 HydrophobicContact CD1-CG 4.49Å; L583-F592 HydrophobicContact CG-CD2 4.05Å; L583-F592 HydrophobicContact CG-CE2 4.37Å; I585-F592 HydrophobicContact CD1-CE2 3.72Å; I585-F592 HydrophobicContact CD1-CZ 3.72Å; T590-F592 HydrophobicContact CG2-CD2 4.27Å; T590-F592 HydrophobicContact CG2-CE2 3.53Å; T590-F592 HydrophobicContact CG2-CZ 3.85Å; F592-F615 HydrophobicContact CB-CE1 4.12Å; F592-F615 HydrophobicContact CD1-CD1 4.1Å; F592-F615 AromaticContact CD1-CE1 3.43Å; F592-F615 HydrophobicContact CD1-CE1 3.43Å; F592-F615 VanDerWaalsContact CD1-CE1 3.43Å; F592-F615 HydrophobicContact CD1-CZ 4.17Å; F592-F615 HydrophobicContact CD2-CE1 4.49Å; F592-F615 AromaticContact CE1-CE1 3.9Å; F592-F615 HydrophobicContact CE1-CE1 3.9Å; F592-F615 HydrophobicContact CE1-CZ 4.33Å; F592-F615 AromaticContact CG-CE1 3.76Å; F592-F615 HydrophobicContact CG-CE1 3.76Å; F592-F615 HydrophobicContact CG-CZ 4.34Å
593	H	91.7	Very high	90.4	Very high	28 Å²	28	48.8 Å²	48.8	13%	0.13	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	143.7	173.5	-174.8	-107.9	0	0	0	110.1	S552 A554 S595 T596 F675	S552-H593 WeakPolarHBondContact O-CB 3.48Å; A554-H593 HydrophobicContact CB-CB 4.27Å; H593-S595 WeakPolarHBondContact ND1-CB 3.15Å; H593-S595 PolarHBondContact ND1-N 2.65Å; H593-S595 PolarHBondContact ND1-OG 2.7Å; H593-S595 PolarHBondContact O-N 2.62Å; H593-S595 VanDerWaalsContact O-N 3.1Å; H593-T596 WeakPolarHBondContact O-CB 3.36Å; H593-T596 PolarHBondContact O-N 2.7Å; H593-T596 PolarHBondContact O-OG1 3.1Å; H593-F675 AromaticContact CE1-CE2 3.82Å
594	I	89.9	Confident	90.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-58.1	-30.9	-172.6	-167	67.8	0	0	0	113	E579 V581 T596 I597 I668 V671 L672 F675	E579-I594 HydrophobicContact CB-CG2 3.89Å; E579-I594 WeakPolarHBondContact O-CB 3.44Å; E579-I594 PolarHBondContact O-N 3.2Å; V581-I594 HydrophobicContact CG2-CD1 4.46Å; I594-T596 PolarHBondContact O-N 2.57Å; I594-I597 HydrophobicContact CD1-CD1 4.42Å; I594-I597 PolarHBondContact O-N 2.71Å; I594-I668 HydrophobicContact CD1-CG2 4.09Å; I594-V671 HydrophobicContact CB-CG1 4.24Å; I594-V671 HydrophobicContact CD1-CG1 4.35Å; I594-V671 HydrophobicContact CG1-CG1 4.03Å; I594-V671 HydrophobicContact CG2-CG1 4.35Å; I594-L672 HydrophobicContact CD1-CB 4.18Å; I594-L672 HydrophobicContact CD1-CD1 4.19Å; I594-L672 HydrophobicContact CG1-CB 4.3Å; I594-L672 HydrophobicContact CG1-CD1 3.91Å; I594-F675 HydrophobicContact CG2-CB 3.82Å; I594-F675 HydrophobicContact CG2-CD1 3.98Å; I594-F675 HydrophobicContact CG2-CD2 3.55Å; I594-F675 HydrophobicContact CG2-CE2 4.15Å; I594-F675 HydrophobicContact CG2-CG 3.48Å; I594-F675 VanDerWaalsContact CG2-CG 3.48Å
595	S	85.8	Confident	90.2	Very high	38 Å²	38	58.2 Å²	58.2	27%	0.266	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-63.6	-7.5	175.1	76	0	0	0	0	114.7	H593	H593-S595 WeakPolarHBondContact ND1-CB 3.15Å; H593-S595 PolarHBondContact ND1-N 2.65Å; H593-S595 PolarHBondContact ND1-OG 2.7Å; H593-S595 PolarHBondContact O-N 2.62Å; H593-S595 VanDerWaalsContact O-N 3.1Å
596	T	87.9	Confident	90	Very high	42 Å²	42	61 Å²	61	26%	0.258	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-94.5	-10	174.7	65.5	0	0	0	0	113	H593 I594 F615 H616	H593-T596 WeakPolarHBondContact O-CB 3.36Å; H593-T596 PolarHBondContact O-N 2.7Å; H593-T596 PolarHBondContact O-OG1 3.1Å; I594-T596 PolarHBondContact O-N 2.57Å; T596-F615 CarbonylContact O-C 3.52Å; T596-F615 WeakPolarHBondContact O-CA 3.37Å; T596-F615 WeakPolarHBondContact O-CB 3.05Å; T596-F615 WeakPolarHBondContact O-CD1 3.01Å; T596-H616 PolarHBondContact O-N 3.49Å
597	I	89.6	Confident	90	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.4	-174.2	-63.4	171.5	0	0	0	109.6	V581 I594 V600 I613 N614 F615	V581-I597 HydrophobicContact CB-CD1 4.02Å; V581-I597 HydrophobicContact CG2-CD1 3.58Å; I594-I597 HydrophobicContact CD1-CD1 4.42Å; I594-I597 PolarHBondContact O-N 2.71Å; I597-V600 HydrophobicContact CG2-CG1 4.2Å; I597-I613 HydrophobicContact CD1-CG2 4.1Å; I597-I613 HydrophobicContact CG1-CG2 4.11Å; I597-I613 HydrophobicContact CG2-CG2 3.85Å; I597-N614 CarbonylContact C-O 3.5Å; I597-F615 HydrophobicContact CD1-CE1 4.35Å; I597-F615 HydrophobicContact CG1-CD1 3.89Å; I597-F615 HydrophobicContact CG1-CE1 3.67Å; I597-F615 HydrophobicContact CG1-CZ 4.43Å
598	K	87.1	Confident	90.2	Very high	76 Å²	76	57.8 Å²	57.8	33%	0.33	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	-58	177.3	-178.2	178.6	178.3	179.6	0	110.6	N614 H616 A620 R676	K598-N614 PolarHBondContact N-O 2.84Å; K598-H616 WeakPolarHBondContact CA-NE2 3.17Å; K598-A620 WeakPolarHBondContact CE-O 3.3Å; K598-A620 PolarHBondContact NZ-O 3.49Å; K598-R676 PolarHBondContact O-NH2 3.31Å
599	N	90.7	Very high	90.2	Very high	65 Å²	65	52.1 Å²	52.1	35%	0.348	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	174.5	177.1	64	16	0	0	0	112	N614	N599-N614 PolarHBondContact N-O 3.11Å; N599-N614 PolarHBondContact O-N 3.5Å; N599-N614 WeakPolarHBondContact OD1-CB 3.48Å; N599-N614 PolarHBondContact OD1-ND2 3.2Å
600	V	93.3	Very high	90.4	Very high	10 Å²	10	52 Å²	52	6%	0.061	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136	174.6	-67.6	0	0	0	0	110.7	I597 L611 R612 I613 Y665 I668 K669	I597-V600 HydrophobicContact CG2-CG1 4.2Å; V600-L611 HydrophobicContact CB-CD1 4.35Å; V600-R612 WeakPolarHBondContact CA-O 3.4Å; V600-I613 HydrophobicContact CG1-CB 4.27Å; V600-I613 HydrophobicContact CG1-CG1 4.01Å; V600-I613 HydrophobicContact CG1-CG2 4.05Å; V600-Y665 HydrophobicContact CB-CD2 4.19Å; V600-Y665 HydrophobicContact CB-CE2 4.46Å; V600-Y665 HydrophobicContact CG2-CD2 3.81Å; V600-Y665 HydrophobicContact CG2-CE2 4.03Å; V600-Y665 WeakPolarHBondContact O-CE2 3.42Å; V600-I668 HydrophobicContact CG1-CB 4.45Å; V600-I668 HydrophobicContact CG1-CD1 4.33Å; V600-I668 HydrophobicContact CG1-CG2 3.71Å; V600-I668 HydrophobicContact CG2-CB 4.37Å; V600-I668 HydrophobicContact CG2-CG2 4.03Å; V600-K669 HydrophobicContact CG2-CG 3.92Å
601	S	93.3	Very high	90.6	Very high	52 Å²	52	49.9 Å²	49.9	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	161.9	174.6	62.6	0	0	0	0	110.7	L611 R612	S601-L611 WeakPolarHBondContact O-CD1 3.37Å; S601-R612 PolarHBondContact N-O 3.43Å; S601-R612 PolarHBondContact O-N 2.86Å
602	T	92.2	Very high	90.7	Very high	56 Å²	56	52.4 Å²	52.4	34%	0.344	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	136.7	-179.4	-174.7	0	0	0	0	109.8	Y610 Y665	T602-Y610 CarbonylContact C-O 2.74Å; T602-Y610 WeakPolarHBondContact CA-O 3.35Å; T602-Y610 PolarHBondContact OG1-O 2.66Å; T602-Y665 HydrophobicContact CG2-CD2 4.27Å; T602-Y665 HydrophobicContact CG2-CE1 4.31Å; T602-Y665 HydrophobicContact CG2-CE2 3.94Å
603	S	92.4	Very high	90.8	Very high	49 Å²	49	50.8 Å²	50.8	34%	0.343	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	159.1	174.1	61.5	0	0	0	0	110	E605 T609 Y610	S603-E605 PolarHBondContact OG-OE1 3.29Å; S603-T609 WeakPolarHBondContact O-CA 3.47Å; S603-Y610 PolarHBondContact N-O 3.38Å; S603-Y610 PolarHBondContact O-N 3.3Å; S603-Y610 WeakPolarHBondContact OG-CB 3.47Å
604	I	90.7	Very high	90.8	Very high	118 Å²	118	51.1 Å²	51.1	61%	0.605	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.8	175.3	-56.1	-178.2	0	0	0	107.5	T609	I604-T609 HydrophobicContact CG1-CG2 4.38Å
605	E	88.7	Confident	90.9	Very high	102 Å²	102	51.5 Å²	51.5	48%	0.477	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	103.1	-177.2	-64	153.5	-140.6	0	0	107.4	S603 D607 Y608 Y610	S603-E605 PolarHBondContact OG-OE1 3.29Å; E605-D607 PolarHBondContact O-N 2.59Å; E605-Y608 PolarHBondContact N-O 2.64Å; E605-Y608 PolarHBondContact O-N 2.74Å; E605-Y610 HydrophobicContact CB-CD2 4.25Å; E605-Y610 HydrophobicContact CB-CE2 3.84Å; E605-Y610 HydrophobicContact CG-CD2 4.37Å; E605-Y610 HydrophobicContact CG-CE2 4.31Å; E605-Y610 WeakPolarHBondContact OE2-CE2 3.49Å
606	A	86.3	Confident	90.9	Very high	95 Å²	95	52 Å²	52	79%	0.785	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	-126.2	-172.5	0	0	0	0	0	112.6	Y608	A606-Y608 PolarHBondContact O-N 3.1Å
607	D	89.3	Confident	90.7	Very high	96 Å²	96	51.9 Å²	51.9	51%	0.513	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	11.6	-176.1	-77.6	-31.7	0	0	0	115	E605 S646 N647 V648	E605-D607 PolarHBondContact O-N 2.59Å; D607-S646 CarbonylContact O-C 3.55Å; D607-S646 VanDerWaalsContact O-CA 3.23Å; D607-S646 WeakPolarHBondContact O-CA 3.3Å; D607-S646 PolarHBondContact O-OG 3.46Å; D607-N647 PolarHBondContact O-N 3.5Å; D607-V648 HydrophobicContact CB-CG2 3.9Å; D607-V648 WeakPolarHBondContact OD1-CG2 3.37Å
608	Y	91.1	Very high	90	Very high	92 Å²	92	53.9 Å²	53.9	36%	0.361	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	136.6	-175.8	-65.1	-87.9	0	0	0	113.2	E605 A606 R644 A645 N647	E605-Y608 PolarHBondContact N-O 2.64Å; E605-Y608 PolarHBondContact O-N 2.74Å; A606-Y608 PolarHBondContact O-N 3.1Å; Y608-R644 HydrophobicContact CD1-CG 4.48Å; Y608-A645 WeakPolarHBondContact CA-O 3.37Å; Y608-N647 VanDerWaalsContact C-ND2 3.34Å
609	T	91.3	Very high	89.2	Confident	1 Å²	1	54 Å²	54	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.6	163.5	-65.9	0	0	0	0	108.9	S603 I604 R644 A645 N647 L661	S603-T609 WeakPolarHBondContact O-CA 3.47Å; I604-T609 HydrophobicContact CG1-CG2 4.38Å; T609-R644 WeakPolarHBondContact O-CA 3.47Å; T609-A645 PolarHBondContact N-O 2.76Å; T609-A645 PolarHBondContact O-N 2.91Å; T609-N647 PolarHBondContact N-ND2 3.33Å; T609-N647 PolarHBondContact OG1-ND2 2.97Å; T609-N647 VanDerWaalsContact OG1-ND2 3.08Å; T609-N647 PolarHBondContact OG1-OD1 2.96Å; T609-N647 VanDerWaalsContact OG1-OD1 3.11Å; T609-L661 WeakPolarHBondContact O-CD2 3.43Å
610	Y	93.4	Very high	88	Confident	42 Å²	42	51.5 Å²	51.5	17%	0.165	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.9	177.3	-66.6	-105	0	0	0	109.3	T602 S603 E605 T642 Y643 R644	T602-Y610 CarbonylContact C-O 2.74Å; T602-Y610 WeakPolarHBondContact CA-O 3.35Å; T602-Y610 PolarHBondContact OG1-O 2.66Å; S603-Y610 PolarHBondContact N-O 3.38Å; S603-Y610 PolarHBondContact O-N 3.3Å; S603-Y610 WeakPolarHBondContact OG-CB 3.47Å; E605-Y610 HydrophobicContact CB-CD2 4.25Å; E605-Y610 HydrophobicContact CB-CE2 3.84Å; E605-Y610 HydrophobicContact CG-CD2 4.37Å; E605-Y610 HydrophobicContact CG-CE2 4.31Å; E605-Y610 WeakPolarHBondContact OE2-CE2 3.49Å; Y610-T642 HydrophobicContact CD1-CG2 3.77Å; Y610-T642 HydrophobicContact CG-CG2 4.47Å; Y610-Y643 CarbonylContact C-O 2.82Å; Y610-Y643 VanDerWaalsContact CA-O 3.29Å; Y610-Y643 WeakPolarHBondContact CA-O 3.49Å; Y610-R644 HydrophobicContact CD1-CB 3.61Å; Y610-R644 HydrophobicContact CD2-CB 4.49Å; Y610-R644 HydrophobicContact CE1-CB 3.6Å; Y610-R644 HydrophobicContact CE1-CG 4.22Å; Y610-R644 HydrophobicContact CE2-CB 4.47Å; Y610-R644 HydrophobicContact CG-CB 4.08Å
611	L	93.7	Very high	86.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	109	175.3	170.5	56.4	0	0	0	107.7	L572 V600 S601 I613 T642 Y643 L661 A664 Y665	L572-L611 HydrophobicContact CD2-CD2 3.8Å; V600-L611 HydrophobicContact CB-CD1 4.35Å; S601-L611 WeakPolarHBondContact O-CD1 3.37Å; L611-I613 HydrophobicContact CG-CG1 4.27Å; L611-T642 WeakPolarHBondContact O-CA 3.29Å; L611-Y643 PolarHBondContact N-O 2.85Å; L611-Y643 PolarHBondContact O-N 3.17Å; L611-L661 HydrophobicContact CB-CB 4.29Å; L611-L661 HydrophobicContact CB-CD2 3.89Å; L611-L661 HydrophobicContact CB-CG 3.99Å; L611-L661 HydrophobicContact CD2-CB 4.24Å; L611-L661 HydrophobicContact CD2-CG 4.15Å; L611-A664 HydrophobicContact CD2-CB 4.37Å; L611-Y665 HydrophobicContact CD1-CD2 3.76Å; L611-Y665 HydrophobicContact CD1-CG 4.37Å
612	R	94.3	Very high	84.3	Confident	105 Å²	105	56.4 Å²	56.4	40%	0.396	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.6	176	-173.1	-174.7	-54.9	-159.2	15.2	109.4	V600 S601 N614 E640 T642	V600-R612 WeakPolarHBondContact CA-O 3.4Å; S601-R612 PolarHBondContact N-O 3.43Å; S601-R612 PolarHBondContact O-N 2.86Å; R612-N614 WeakPolarHBondContact CD-OD1 3.36Å; R612-N614 WeakPolarHBondContact CG-OD1 3.39Å; R612-E640 WeakPolarHBondContact CD-OE1 3.07Å; R612-E640 HydrophobicContact CG-CB 4.28Å; R612-E640 IonicContact CZ-OE1 3.61Å; R612-E640 IonicContact CZ-OE2 2.6Å; R612-E640 IonicContact NE-OE1 3.32Å; R612-E640 IonicContact NE-OE2 3.65Å; R612-E640 IonicContact NH1-OE1 3.62Å; R612-E640 PolarHBondContact NH1-OE1 3.44Å; R612-E640 IonicContact NH1-OE2 2.66Å; R612-E640 PolarHBondContact NH1-OE2 2.72Å; R612-T642 WeakPolarHBondContact CG-OG1 3.17Å
613	I	94.1	Very high	82.5	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.7	177.9	-53.7	178.9	0	0	0	107	L572 L583 I597 V600 L611 F615 E640 M641 I668	L572-I613 HydrophobicContact CD2-CD1 4.08Å; L583-I613 HydrophobicContact CD1-CD1 3.97Å; L583-I613 HydrophobicContact CD2-CD1 3.57Å; L583-I613 HydrophobicContact CG-CD1 4.44Å; I597-I613 HydrophobicContact CD1-CG2 4.1Å; I597-I613 HydrophobicContact CG1-CG2 4.11Å; I597-I613 HydrophobicContact CG2-CG2 3.85Å; V600-I613 HydrophobicContact CG1-CB 4.27Å; V600-I613 HydrophobicContact CG1-CG1 4.01Å; V600-I613 HydrophobicContact CG1-CG2 4.05Å; L611-I613 HydrophobicContact CG-CG1 4.27Å; I613-F615 HydrophobicContact CB-CE2 4.09Å; I613-F615 HydrophobicContact CB-CZ 4.37Å; I613-F615 HydrophobicContact CG2-CD2 4.43Å; I613-F615 HydrophobicContact CG2-CE1 4.31Å; I613-F615 HydrophobicContact CG2-CE2 3.71Å; I613-F615 HydrophobicContact CG2-CZ 3.65Å; I613-F615 WeakPolarHBondContact O-CD2 3.49Å; I613-F615 VanDerWaalsContact O-CE2 3.29Å; I613-F615 WeakPolarHBondContact O-CE2 3.49Å; I613-E640 CarbonylContact O-C 3.58Å; I613-E640 VanDerWaalsContact O-CA 3.27Å; I613-E640 WeakPolarHBondContact O-CA 3.12Å; I613-M641 PolarHBondContact N-O 3.31Å; I613-M641 PolarHBondContact O-N 2.86Å; I613-I668 HydrophobicContact CD1-CD1 4.38Å
614	N	93	Very high	80.3	Confident	34 Å²	34	57.4 Å²	57.4	18%	0.182	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	137	-179.9	-59.6	-32.4	0	0	0	109.2	I597 K598 N599 R612 E640	I597-N614 CarbonylContact C-O 3.5Å; K598-N614 PolarHBondContact N-O 2.84Å; N599-N614 PolarHBondContact N-O 3.11Å; N599-N614 PolarHBondContact O-N 3.5Å; N599-N614 WeakPolarHBondContact OD1-CB 3.48Å; N599-N614 PolarHBondContact OD1-ND2 3.2Å; R612-N614 WeakPolarHBondContact CD-OD1 3.36Å; R612-N614 WeakPolarHBondContact CG-OD1 3.39Å; N614-E640 VanDerWaalsContact OD1-CB 3.25Å; N614-E640 WeakPolarHBondContact OD1-CB 3.17Å
615	F	91.3	Very high	78.4	Confident	8 Å²	8	60.5 Å²	60.5	4%	0.035	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	160.2	-174.7	-65.1	-95.8	0	0	0	111.2	L583 F592 T596 I597 I613 H617 V638 K639 M641	L583-F615 HydrophobicContact CD1-CZ 3.81Å; F592-F615 HydrophobicContact CB-CE1 4.12Å; F592-F615 HydrophobicContact CD1-CD1 4.1Å; F592-F615 AromaticContact CD1-CE1 3.43Å; F592-F615 HydrophobicContact CD1-CE1 3.43Å; F592-F615 VanDerWaalsContact CD1-CE1 3.43Å; F592-F615 HydrophobicContact CD1-CZ 4.17Å; F592-F615 HydrophobicContact CD2-CE1 4.49Å; F592-F615 AromaticContact CE1-CE1 3.9Å; F592-F615 HydrophobicContact CE1-CE1 3.9Å; F592-F615 HydrophobicContact CE1-CZ 4.33Å; F592-F615 AromaticContact CG-CE1 3.76Å; F592-F615 HydrophobicContact CG-CE1 3.76Å; F592-F615 HydrophobicContact CG-CZ 4.34Å; T596-F615 CarbonylContact O-C 3.52Å; T596-F615 WeakPolarHBondContact O-CA 3.37Å; T596-F615 WeakPolarHBondContact O-CB 3.05Å; T596-F615 WeakPolarHBondContact O-CD1 3.01Å; I597-F615 HydrophobicContact CD1-CE1 4.35Å; I597-F615 HydrophobicContact CG1-CD1 3.89Å; I597-F615 HydrophobicContact CG1-CE1 3.67Å; I597-F615 HydrophobicContact CG1-CZ 4.43Å; I613-F615 HydrophobicContact CB-CE2 4.09Å; I613-F615 HydrophobicContact CB-CZ 4.37Å; I613-F615 HydrophobicContact CG2-CD2 4.43Å; I613-F615 HydrophobicContact CG2-CE1 4.31Å; I613-F615 HydrophobicContact CG2-CE2 3.71Å; I613-F615 HydrophobicContact CG2-CZ 3.65Å; I613-F615 WeakPolarHBondContact O-CD2 3.49Å; I613-F615 VanDerWaalsContact O-CE2 3.29Å; I613-F615 WeakPolarHBondContact O-CE2 3.49Å; F615-H617 PolarHBondContact O-N 2.95Å; F615-V638 WeakPolarHBondContact CB-O 3.36Å; F615-V638 HydrophobicContact CD2-CB 4.37Å; F615-V638 HydrophobicContact CD2-CG1 3.74Å; F615-V638 HydrophobicContact CE2-CG1 4.02Å; F615-V638 HydrophobicContact CG-CG1 4.35Å; F615-K639 PolarHBondContact N-O 2.86Å; F615-M641 HydrophobicContact CE2-CB 4.07Å; F615-M641 HydrophobicContact CE2-CG 3.76Å; F615-M641 HydrophobicContact CE2-SD 4.36Å; F615-M641 HydrophobicContact CZ-CG 4.42Å; F615-M641 HydrophobicContact CZ-SD 4.46Å
616	H	85.4	Confident	76.7	Confident	50 Å²	50	59.7 Å²	59.7	23%	0.231	35%	0.352	C	S	.	.			trans	-73.3	118.7	171.2	-74.1	-81.3	0	0	0	109.7	T596 K598 F630	T596-H616 PolarHBondContact O-N 3.49Å; K598-H616 WeakPolarHBondContact CA-NE2 3.17Å; H616-F630 HydrophobicContact CB-CE1 4.31Å; H616-F630 HydrophobicContact CB-CZ 4.06Å
617	H	83	Confident	74.9	Confident	39 Å²	39	58.6 Å²	58.6	18%	0.181	34%	0.335	C	S	.	.			trans	-131.3	159.9	171.8	66.5	81.4	0	0	0	109.9	F615 G619 A620 Y637 K639	F615-H617 PolarHBondContact O-N 2.95Å; H617-G619 PolarHBondContact O-N 2.87Å; H617-A620 WeakPolarHBondContact O-CB 3.41Å; H617-A620 PolarHBondContact O-N 3.22Å; H617-Y637 HydrophobicContact CB-CG 4.19Å; H617-K639 WeakPolarHBondContact NE2-CG 3.49Å
618	P	74.7	Confident	73.1	Confident	42 Å²	42	57.7 Å²	57.7	27%	0.273	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	131.7	169.6	-27.2	35.9	0	0	0	111	A620 F630 Y637	P618-A620 VanDerWaalsContact C-N 3.31Å; P618-A620 PolarHBondContact O-N 2.85Å; P618-F630 HydrophobicContact CG-CD2 4.49Å; P618-F630 HydrophobicContact CG-CG 4.5Å; P618-Y637 HydrophobicContact CG-CD2 3.84Å; P618-Y637 HydrophobicContact CG-CE2 3.7Å
619	G	71.9	Confident	71.5	Confident	77 Å²	77	55.2 Å²	55.2	79%	0.794	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	3.9	-171.9	0	0	0	0	0	115.8	H617	H617-G619 PolarHBondContact O-N 2.87Å
620	A	65.3	Low	70.2	Confident	13 Å²	13	56.1 Å²	56.1	11%	0.107	34%	0.341	C	S	.	.	S	Bend	trans	-87.1	-18.3	171.6	0	0	0	0	0	113.8	K598 H617 P618	K598-A620 WeakPolarHBondContact CE-O 3.3Å; K598-A620 PolarHBondContact NZ-O 3.49Å; H617-A620 WeakPolarHBondContact O-CB 3.41Å; H617-A620 PolarHBondContact O-N 3.22Å; P618-A620 VanDerWaalsContact C-N 3.31Å; P618-A620 PolarHBondContact O-N 2.85Å
621	L	59.2	Low	68.8	Low	50 Å²	50	61.6 Å²	61.6	26%	0.262	37%	0.368	S	S	.	.	S	Bend	trans	-103.1	135.1	176.6	-59.9	100.6	0	0	0	108.4	D626 F630	L621-D626 HydrophobicContact CD2-CB 4.3Å; L621-F630 HydrophobicContact CD1-CE2 3.78Å; L621-F630 HydrophobicContact CD1-CZ 3.92Å
622	V	49.6	Very low	67.7	Low	115 Å²	115	64.4 Å²	64.4	70%	0.697	39%	0.388	S	S	*	.	S	Bend	trans	-79.6	125.2	170.6	-177.7	0	0	0	0	106.7	E1022	V622-E1022 WeakPolarHBondContact CB-OE2 3.44Å; V622-E1022 WeakPolarHBondContact CG1-OE2 3.22Å
623	G	53	Low	66.5	Low	48 Å²	48	63.1 Å²	63.1	50%	0.495	39%	0.393	S	S	.	.	S	Bend	trans	118.1	119.5	-178.9	0	0	0	0	0	114.4	K625 D626	G623-K625 VanDerWaalsContact C-N 3.28Å; G623-K625 PolarHBondContact O-N 2.87Å; G623-D626 PolarHBondContact O-N 2.63Å
624	A	47.5	Very low	65.7	Low	79 Å²	79	72.5 Å²	72.5	65%	0.653	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-62.7	-27.8	-173.9	0	0	0	0	0	114.7	D626 T627	A624-D626 VanDerWaalsContact C-N 3.34Å; A624-D626 PolarHBondContact O-N 2.71Å; A624-T627 PolarHBondContact O-N 3.39Å; A624-T627 PolarHBondContact O-OG1 2.85Å
625	K	51.4	Low	65.2	Low	182 Å²	182	73.8 Å²	73.8	79%	0.791	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-66.5	-30.6	-175.6	-76.8	-171.7	172	-177.3	0	113.7	G623 T627	G623-K625 VanDerWaalsContact C-N 3.28Å; G623-K625 PolarHBondContact O-N 2.87Å; K625-T627 VanDerWaalsContact C-N 3.29Å; K625-T627 PolarHBondContact O-N 3.31Å
626	D	52.4	Low	65	Low	85 Å²	85	80.4 Å²	80.4	46%	0.455	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-80.7	-7.3	-177.8	-81	4.4	0	0	0	113.6	L621 G623 A624 A628 S629	L621-D626 HydrophobicContact CD2-CB 4.3Å; G623-D626 PolarHBondContact O-N 2.63Å; A624-D626 VanDerWaalsContact C-N 3.34Å; A624-D626 PolarHBondContact O-N 2.71Å; D626-A628 PolarHBondContact O-N 2.69Å; D626-S629 VanDerWaalsContact O-CB 3.29Å; D626-S629 WeakPolarHBondContact O-CB 3.28Å; D626-S629 PolarHBondContact O-N 2.69Å; D626-S629 PolarHBondContact O-OG 3.21Å
627	T	48.7	Very low	65.1	Low	72 Å²	72	81.9 Å²	81.9	44%	0.442	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-58.8	-33.5	172.5	-33.6	0	0	0	0	111.7	A624 K625 S629	A624-T627 PolarHBondContact O-N 3.39Å; A624-T627 PolarHBondContact O-OG1 2.85Å; K625-T627 VanDerWaalsContact C-N 3.29Å; K625-T627 PolarHBondContact O-N 3.31Å; T627-S629 PolarHBondContact O-N 2.91Å
628	A	50.5	Low	65.4	Low	78 Å²	78	83 Å²	83	65%	0.645	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-71	-14.3	176.3	0	0	0	0	0	113.9	D626 F630	D626-A628 PolarHBondContact O-N 2.69Å; A628-F630 PolarHBondContact O-N 3.02Å
629	S	57.9	Low	66.1	Low	39 Å²	39	87.3 Å²	87.3	27%	0.273	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-71.1	-18.6	178.3	73.5	0	0	0	0	113.2	M549 D626 T627	M549-S629 VanDerWaalsContact CE-O 3.28Å; M549-S629 WeakPolarHBondContact CE-O 3.5Å; M549-S629 VanDerWaalsContact SD-O 3.35Å; D626-S629 VanDerWaalsContact O-CB 3.29Å; D626-S629 WeakPolarHBondContact O-CB 3.28Å; D626-S629 PolarHBondContact O-N 2.69Å; D626-S629 PolarHBondContact O-OG 3.21Å; T627-S629 PolarHBondContact O-N 2.91Å
630	F	63.7	Low	67.1	Low	21 Å²	21	87.1 Å²	87.1	9%	0.092	50%	0.497	C	S	.	.	S	Bend	trans	-88.9	112.6	175.7	-65.5	-87	0	0	0	110.8	H616 P618 L621 A628 S632 Y637	H616-F630 HydrophobicContact CB-CE1 4.31Å; H616-F630 HydrophobicContact CB-CZ 4.06Å; P618-F630 HydrophobicContact CG-CD2 4.49Å; P618-F630 HydrophobicContact CG-CG 4.5Å; L621-F630 HydrophobicContact CD1-CE2 3.78Å; L621-F630 HydrophobicContact CD1-CZ 3.92Å; A628-F630 PolarHBondContact O-N 3.02Å; F630-S632 PolarHBondContact O-N 2.78Å; F630-Y637 HydrophobicContact CD1-CD1 4.36Å; F630-Y637 AromaticContact CD1-CE1 3.51Å; F630-Y637 HydrophobicContact CD1-CE1 3.51Å; F630-Y637 AromaticContact CD1-CZ 3.67Å; F630-Y637 HydrophobicContact CE1-CD1 4.23Å; F630-Y637 AromaticContact CE1-CE1 3.81Å; F630-Y637 HydrophobicContact CE1-CE1 3.81Å
631	Q	64.8	Low	68.4	Low	156 Å²	156	88.4 Å²	88.4	73%	0.729	50%	0.501	S	S	*	.	S	Bend	trans	-57.7	-11	178.7	-66.2	-177.4	-12	0	0	115.3	M549	M549-Q631 HydrophobicContact SD-CG 4.04Å
632	S	70.3	Confident	70	Confident	59 Å²	59	89.1 Å²	89.1	41%	0.413	51%	0.507	S	S	.	.			trans	-154.5	85.8	179.2	-63.6	0	0	0	0	109.2	F630 E634 S635 Y637	F630-S632 PolarHBondContact O-N 2.78Å; S632-E634 PolarHBondContact O-N 3.41Å; S632-S635 VanDerWaalsContact CB-OG 3.24Å; S632-S635 WeakPolarHBondContact CB-OG 3.03Å; S632-S635 WeakPolarHBondContact O-CB 3.41Å; S632-S635 PolarHBondContact O-N 2.85Å; S632-S635 VanDerWaalsContact O-N 3.1Å; S632-Y637 WeakPolarHBondContact O-CE2 3.44Å; S632-Y637 PolarHBondContact O-OH 3.09Å
633	P	69.5	Low	72.1	Confident	79 Å²	79	85.4 Å²	85.4	51%	0.513	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.4	-177.4	24.6	-33.7	0	0	0	112.8	S635	P633-S635 VanDerWaalsContact C-N 3.28Å; P633-S635 PolarHBondContact O-N 2.96Å
634	E	77.2	Confident	73.9	Confident	197 Å²	197	90.6 Å²	90.6	92%	0.921	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-4	176.3	-57.7	-175.3	166.8	0	0	114.5	S632	S632-E634 PolarHBondContact O-N 3.41Å
635	S	82.5	Confident	76	Confident	60 Å²	60	87.6 Å²	87.6	42%	0.42	46%	0.461	S	S	.	.	S	Bend	trans	-68.5	157.6	178.6	-77.3	0	0	0	0	112.7	S632 P633 Y637	S632-S635 VanDerWaalsContact CB-OG 3.24Å; S632-S635 WeakPolarHBondContact CB-OG 3.03Å; S632-S635 WeakPolarHBondContact O-CB 3.41Å; S632-S635 PolarHBondContact O-N 2.85Å; S632-S635 VanDerWaalsContact O-N 3.1Å; P633-S635 VanDerWaalsContact C-N 3.28Å; P633-S635 PolarHBondContact O-N 2.96Å; S635-Y637 WeakPolarHBondContact O-CD2 3.45Å; S635-Y637 VanDerWaalsContact O-CE2 3.28Å; S635-Y637 WeakPolarHBondContact O-CE2 3.5Å; S635-Y637 PolarHBondContact O-N 2.94Å
636	T	87.4	Confident	77.8	Confident	148 Å²	148	80.1 Å²	80.1	91%	0.908	43%	0.431	S	S	*	.			trans	-80.3	119.1	171.5	42.2	0	0	0	0	110.4
637	Y	86.8	Confident	79.3	Confident	81 Å²	81	78.2 Å²	78.2	32%	0.318	42%	0.421	S	S	.	.			trans	-105.2	145.9	178.5	-67.8	-90.7	0	0	0	111.2	H617 P618 F630 S632 S635	H617-Y637 HydrophobicContact CB-CG 4.19Å; P618-Y637 HydrophobicContact CG-CD2 3.84Å; P618-Y637 HydrophobicContact CG-CE2 3.7Å; F630-Y637 HydrophobicContact CD1-CD1 4.36Å; F630-Y637 AromaticContact CD1-CE1 3.51Å; F630-Y637 HydrophobicContact CD1-CE1 3.51Å; F630-Y637 AromaticContact CD1-CZ 3.67Å; F630-Y637 HydrophobicContact CE1-CD1 4.23Å; F630-Y637 AromaticContact CE1-CE1 3.81Å; F630-Y637 HydrophobicContact CE1-CE1 3.81Å; S632-Y637 WeakPolarHBondContact O-CE2 3.44Å; S632-Y637 PolarHBondContact O-OH 3.09Å; S635-Y637 WeakPolarHBondContact O-CD2 3.45Å; S635-Y637 VanDerWaalsContact O-CE2 3.28Å; S635-Y637 WeakPolarHBondContact O-CE2 3.5Å; S635-Y637 PolarHBondContact O-N 2.94Å
638	V	89.1	Confident	81	Confident	63 Å²	63	78.1 Å²	78.1	38%	0.382	42%	0.42	S	S	.	.			trans	-73.4	129.4	164	-179.3	0	0	0	0	107.4	F615 M641	F615-V638 WeakPolarHBondContact CB-O 3.36Å; F615-V638 HydrophobicContact CD2-CB 4.37Å; F615-V638 HydrophobicContact CD2-CG1 3.74Å; F615-V638 HydrophobicContact CE2-CG1 4.02Å; F615-V638 HydrophobicContact CG-CG1 4.35Å; V638-M641 HydrophobicContact CG1-CG 3.74Å; V638-M641 HydrophobicContact CG1-SD 4.42Å
639	K	89.7	Confident	82.4	Confident	131 Å²	131	81.6 Å²	81.6	57%	0.57	42%	0.417	S	S	*	.			trans	-84.7	-59.7	172.8	170.1	166.7	-179.9	179	0	111.5	F615 H617	F615-K639 PolarHBondContact N-O 2.86Å; H617-K639 WeakPolarHBondContact NE2-CG 3.49Å
640	E	92.4	Very high	83.2	Confident	74 Å²	74	88.5 Å²	88.5	35%	0.346	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156.4	179	60.8	166.1	-101.3	0	0	111.5	R612 I613 N614 T642	R612-E640 WeakPolarHBondContact CD-OE1 3.07Å; R612-E640 HydrophobicContact CG-CB 4.28Å; R612-E640 IonicContact CZ-OE1 3.61Å; R612-E640 IonicContact CZ-OE2 2.6Å; R612-E640 IonicContact NE-OE1 3.32Å; R612-E640 IonicContact NE-OE2 3.65Å; R612-E640 IonicContact NH1-OE1 3.62Å; R612-E640 PolarHBondContact NH1-OE1 3.44Å; R612-E640 IonicContact NH1-OE2 2.66Å; R612-E640 PolarHBondContact NH1-OE2 2.72Å; I613-E640 CarbonylContact O-C 3.58Å; I613-E640 VanDerWaalsContact O-CA 3.27Å; I613-E640 WeakPolarHBondContact O-CA 3.12Å; N614-E640 VanDerWaalsContact OD1-CB 3.25Å; N614-E640 WeakPolarHBondContact OD1-CB 3.17Å; E640-T642 PolarHBondContact OE1-OG1 2.65Å
641	M	93.4	Very high	83.4	Confident	39 Å²	39	97.2 Å²	97.2	19%	0.192	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	120.8	168.6	-64	-163.9	76.9	0	0	109.8	L583 I585 I613 F615 V638 Y643	L583-M641 HydrophobicContact CD1-SD 4.29Å; I585-M641 HydrophobicContact CD1-CE 3.78Å; I585-M641 HydrophobicContact CD1-SD 3.77Å; I585-M641 HydrophobicContact CG1-CE 3.88Å; I585-M641 HydrophobicContact CG1-SD 4.35Å; I613-M641 PolarHBondContact N-O 3.31Å; I613-M641 PolarHBondContact O-N 2.86Å; F615-M641 HydrophobicContact CE2-CB 4.07Å; F615-M641 HydrophobicContact CE2-CG 3.76Å; F615-M641 HydrophobicContact CE2-SD 4.36Å; F615-M641 HydrophobicContact CZ-CG 4.42Å; F615-M641 HydrophobicContact CZ-SD 4.46Å; V638-M641 HydrophobicContact CG1-CG 3.74Å; V638-M641 HydrophobicContact CG1-SD 4.42Å; M641-Y643 HydrophobicContact CB-CE2 4.14Å; M641-Y643 HydrophobicContact CE-CE2 4.29Å; M641-Y643 WeakPolarHBondContact CE-OH 3.17Å
642	T	93.5	Very high	83.8	Confident	66 Å²	66	93.9 Å²	93.9	41%	0.405	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.6	177.3	-65.4	0	0	0	0	110.6	Y610 L611 R612 E640	Y610-T642 HydrophobicContact CD1-CG2 3.77Å; Y610-T642 HydrophobicContact CG-CG2 4.47Å; L611-T642 WeakPolarHBondContact O-CA 3.29Å; R612-T642 WeakPolarHBondContact CG-OG1 3.17Å; E640-T642 PolarHBondContact OE1-OG1 2.65Å
643	Y	92.8	Very high	83.8	Confident	36 Å²	36	94.7 Å²	94.7	14%	0.141	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	143.6	172.5	-74.5	-86.5	0	0	0	110.3	L572 L583 P584 Y610 L611 M641	L572-Y643 HydrophobicContact CD1-CD1 4.03Å; L572-Y643 HydrophobicContact CD1-CD2 4.46Å; L572-Y643 HydrophobicContact CD1-CG 3.98Å; L572-Y643 HydrophobicContact CD2-CD2 4.23Å; L572-Y643 HydrophobicContact CD2-CG 4.45Å; L583-Y643 HydrophobicContact CB-CE2 4.28Å; L583-Y643 HydrophobicContact CD1-CE2 4.3Å; L583-Y643 HydrophobicContact CD2-CE2 4.08Å; L583-Y643 HydrophobicContact CG-CE2 4.46Å; P584-Y643 HydrophobicContact CG-CD1 4.43Å; P584-Y643 HydrophobicContact CG-CE1 3.78Å; Y610-Y643 CarbonylContact C-O 2.82Å; Y610-Y643 VanDerWaalsContact CA-O 3.29Å; Y610-Y643 WeakPolarHBondContact CA-O 3.49Å; L611-Y643 PolarHBondContact N-O 2.85Å; L611-Y643 PolarHBondContact O-N 3.17Å; M641-Y643 HydrophobicContact CB-CE2 4.14Å; M641-Y643 HydrophobicContact CE-CE2 4.29Å; M641-Y643 WeakPolarHBondContact CE-OH 3.17Å
644	R	91.3	Very high	83.8	Confident	158 Å²	158	95.5 Å²	95.5	60%	0.596	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	145	173.1	71.2	-179.9	179.2	177.2	-1.6	112.4	Y608 T609 Y610	Y608-R644 HydrophobicContact CD1-CG 4.48Å; T609-R644 WeakPolarHBondContact O-CA 3.47Å; Y610-R644 HydrophobicContact CD1-CB 3.61Å; Y610-R644 HydrophobicContact CD2-CB 4.49Å; Y610-R644 HydrophobicContact CE1-CB 3.6Å; Y610-R644 HydrophobicContact CE1-CG 4.22Å; Y610-R644 HydrophobicContact CE2-CB 4.47Å; Y610-R644 HydrophobicContact CG-CB 4.08Å
645	A	90	Very high	83.7	Confident	15 Å²	15	88.7 Å²	88.7	12%	0.124	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147.7	170.3	0	0	0	0	0	110.2	Y608 T609 P657 L661	Y608-A645 WeakPolarHBondContact CA-O 3.37Å; T609-A645 PolarHBondContact N-O 2.76Å; T609-A645 PolarHBondContact O-N 2.91Å; A645-P657 HydrophobicContact CB-CB 4.16Å; A645-L661 HydrophobicContact CB-CD1 3.63Å; A645-L661 HydrophobicContact CB-CD2 3.83Å; A645-L661 HydrophobicContact CB-CG 4.32Å
646	S	89.4	Confident	83.7	Confident	25 Å²	25	88.7 Å²	88.7	18%	0.175	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	144.5	-176.8	-170.9	0	0	0	0	112.2	D607 V648 I656 P657 S658	D607-S646 CarbonylContact O-C 3.55Å; D607-S646 VanDerWaalsContact O-CA 3.23Å; D607-S646 WeakPolarHBondContact O-CA 3.3Å; D607-S646 PolarHBondContact O-OG 3.46Å; S646-V648 VanDerWaalsContact C-N 3.33Å; S646-V648 PolarHBondContact OG-N 2.85Å; S646-V648 VanDerWaalsContact OG-N 3.1Å; S646-I656 WeakPolarHBondContact O-CG2 3.2Å; S646-P657 WeakPolarHBondContact O-CD 3.25Å; S646-S658 PolarHBondContact O-N 3.02Å
647	N	84.9	Confident	83.4	Confident	45 Å²	45	83.5 Å²	83.5	24%	0.241	43%	0.433	C	S	.	.	S	Bend	trans	-81.9	-10.9	168.4	-71	-43.4	0	0	0	112.8	D607 Y608 T609 R649 I656 S658	D607-N647 PolarHBondContact O-N 3.5Å; Y608-N647 VanDerWaalsContact C-ND2 3.34Å; T609-N647 PolarHBondContact N-ND2 3.33Å; T609-N647 PolarHBondContact OG1-ND2 2.97Å; T609-N647 VanDerWaalsContact OG1-ND2 3.08Å; T609-N647 PolarHBondContact OG1-OD1 2.96Å; T609-N647 VanDerWaalsContact OG1-OD1 3.11Å; N647-R649 PolarHBondContact O-N 3.24Å; N647-I656 VanDerWaalsContact C-CG2 3.45Å; N647-I656 WeakPolarHBondContact O-CG2 3.18Å; N647-S658 WeakPolarHBondContact OD1-CB 2.95Å; N647-S658 PolarHBondContact OD1-OG 2.88Å
648	V	83.1	Confident	83.3	Confident	70 Å²	70	79.9 Å²	79.9	42%	0.424	42%	0.42	S	S	.	.	S	Bend	trans	-81.1	117.7	177.4	-176.3	0	0	0	0	110.3	D607 S646 R650	D607-V648 HydrophobicContact CB-CG2 3.9Å; D607-V648 WeakPolarHBondContact OD1-CG2 3.37Å; S646-V648 VanDerWaalsContact C-N 3.33Å; S646-V648 PolarHBondContact OG-N 2.85Å; S646-V648 VanDerWaalsContact OG-N 3.1Å; V648-R650 PolarHBondContact O-N 2.66Å
649	R	80.8	Confident	83.1	Confident	152 Å²	152	79.2 Å²	79.2	57%	0.574	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-74.1	117	173.3	-171.5	-179.3	-179.1	177.4	2.8	110.7	N647 E653 A654 I656	N647-R649 PolarHBondContact O-N 3.24Å; R649-E653 PolarHBondContact NE-O 2.7Å; R649-E653 PolarHBondContact NH2-O 2.67Å; R649-A654 PolarHBondContact NH2-O 2.91Å; R649-I656 HydrophobicContact CB-CG1 4.25Å
650	R	74.7	Confident	83	Confident	184 Å²	184	74.3 Å²	74.3	69%	0.694	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-76.1	145.3	173.5	-60.5	-176.7	170	-140.4	-6.6	110.9	V648 G652 E653	V648-R650 PolarHBondContact O-N 2.66Å; R650-G652 PolarHBondContact O-N 3.38Å; R650-G652 VanDerWaalsContact O-N 3.15Å; R650-E653 HydrophobicContact CB-CG 4.22Å; R650-E653 WeakPolarHBondContact CB-OE2 3.41Å; R650-E653 PolarHBondContact O-N 2.68Å
651	H	68.1	Low	82.9	Confident	204 Å²	204	71.2 Å²	71.2	94%	0.944	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	119.7	174.9	-69.2	-67.9	0	0	0	110.4
652	G	73	Confident	82.6	Confident	86 Å²	86	72.6 Å²	72.6	89%	0.887	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.6	-17.1	-175.6	0	0	0	0	0	114.7	R650	R650-G652 PolarHBondContact O-N 3.38Å; R650-G652 VanDerWaalsContact O-N 3.15Å
653	E	69.3	Low	82.5	Confident	75 Å²	75	73.9 Å²	73.9	35%	0.35	39%	0.394	S	S	.	.			trans	-84.7	134.6	178.2	-64.7	-173.9	138.8	0	0	111.9	R649 R650	R649-E653 PolarHBondContact NE-O 2.7Å; R649-E653 PolarHBondContact NH2-O 2.67Å; R650-E653 HydrophobicContact CB-CG 4.22Å; R650-E653 WeakPolarHBondContact CB-OE2 3.41Å; R650-E653 PolarHBondContact O-N 2.68Å
654	A	71.2	Confident	82.3	Confident	96 Å²	96	72.4 Å²	72.4	79%	0.793	39%	0.39	S	S	*	.	S	Bend	trans	-73.6	-39.3	-175.7	0	0	0	0	0	112.9	R649	R649-A654 PolarHBondContact NH2-O 2.91Å
655	S	74.6	Confident	82.4	Confident	54 Å²	54	67.6 Å²	67.6	38%	0.378	37%	0.372	S	S	.	.	S	Bend	trans	-122.5	161.6	176.3	69.9	0	0	0	0	110.7	T659	S655-T659 PolarHBondContact OG-OG1 3.06Å
656	I	81.7	Confident	82.4	Confident	61 Å²	61	75.6 Å²	75.6	31%	0.313	40%	0.399	S	S	.	.			trans	-70.2	137.7	170	-53.1	175.3	0	0	0	108.2	S646 N647 R649 S658 T659	S646-I656 WeakPolarHBondContact O-CG2 3.2Å; N647-I656 VanDerWaalsContact C-CG2 3.45Å; N647-I656 WeakPolarHBondContact O-CG2 3.18Å; R649-I656 HydrophobicContact CB-CG1 4.25Å; I656-S658 WeakPolarHBondContact CG2-OG 3.44Å; I656-S658 PolarHBondContact O-N 3.23Å; I656-T659 HydrophobicContact CB-CG2 4.18Å; I656-T659 WeakPolarHBondContact O-CG2 3.38Å; I656-T659 PolarHBondContact O-N 2.85Å; I656-T659 PolarHBondContact O-OG1 2.69Å
657	P	80.9	Confident	82.6	Confident	39 Å²	39	76.8 Å²	76.8	25%	0.253	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-35	-179.5	-29.8	36.2	0	0	0	114.7	A645 S646 T659 N660	A645-P657 HydrophobicContact CB-CB 4.16Å; S646-P657 WeakPolarHBondContact O-CD 3.25Å; P657-T659 VanDerWaalsContact C-N 3.26Å; P657-T659 PolarHBondContact O-N 2.71Å; P657-N660 PolarHBondContact O-N 3.14Å
658	S	84.9	Confident	83	Confident	4 Å²	4	74.7 Å²	74.7	3%	0.028	39%	0.391	C	S	.	.	H	α-helix	trans	-64.6	-18.9	176.3	59.1	0	0	0	0	115.1	S646 N647 I656 N660 L661 N662	S646-S658 PolarHBondContact O-N 3.02Å; N647-S658 WeakPolarHBondContact OD1-CB 2.95Å; N647-S658 PolarHBondContact OD1-OG 2.88Å; I656-S658 WeakPolarHBondContact CG2-OG 3.44Å; I656-S658 PolarHBondContact O-N 3.23Å; S658-N660 PolarHBondContact O-N 3.35Å; S658-N660 VanDerWaalsContact O-N 3.16Å; S658-L661 PolarHBondContact O-N 2.75Å; S658-N662 PolarHBondContact O-N 2.73Å
659	T	86.1	Confident	83.4	Confident	49 Å²	49	76.2 Å²	76.2	30%	0.301	39%	0.392	S	S	.	.	H	α-helix	trans	-61.6	-27.4	175.6	66.7	0	0	0	0	111.9	S655 I656 P657 N663	S655-T659 PolarHBondContact OG-OG1 3.06Å; I656-T659 HydrophobicContact CB-CG2 4.18Å; I656-T659 WeakPolarHBondContact O-CG2 3.38Å; I656-T659 PolarHBondContact O-N 2.85Å; I656-T659 PolarHBondContact O-OG1 2.69Å; P657-T659 VanDerWaalsContact C-N 3.26Å; P657-T659 PolarHBondContact O-N 2.71Å; T659-N663 VanDerWaalsContact O-CB 3.29Å; T659-N663 WeakPolarHBondContact O-CB 3.21Å; T659-N663 PolarHBondContact O-N 3.43Å; T659-N663 PolarHBondContact O-ND2 2.71Å
660	N	87.8	Confident	83.9	Confident	28 Å²	28	71.6 Å²	71.6	15%	0.15	38%	0.377	C	S	.	.	H	α-helix	trans	-69.9	-39.5	174.6	-165.8	75.9	0	0	0	112.2	L572 P657 S658 A664	L572-N660 PolarHBondContact O-ND2 3.09Å; L572-N660 VanDerWaalsContact O-ND2 3.1Å; P657-N660 PolarHBondContact O-N 3.14Å; S658-N660 PolarHBondContact O-N 3.35Å; S658-N660 VanDerWaalsContact O-N 3.16Å; N660-A664 VanDerWaalsContact O-CB 3.23Å; N660-A664 WeakPolarHBondContact O-CB 3.31Å; N660-A664 PolarHBondContact O-N 3.27Å
661	L	89.3	Confident	84.7	Confident	9 Å²	9	63.1 Å²	63.1	5%	0.047	35%	0.346	C	S	.	.	H	α-helix	trans	-66.3	-44.4	177	-87.7	60.1	0	0	0	110.3	L572 T609 L611 A645 S658 N663 A664 Y665	L572-L661 HydrophobicContact CD1-CD1 4.38Å; T609-L661 WeakPolarHBondContact O-CD2 3.43Å; L611-L661 HydrophobicContact CB-CB 4.29Å; L611-L661 HydrophobicContact CB-CD2 3.89Å; L611-L661 HydrophobicContact CB-CG 3.99Å; L611-L661 HydrophobicContact CD2-CB 4.24Å; L611-L661 HydrophobicContact CD2-CG 4.15Å; A645-L661 HydrophobicContact CB-CD1 3.63Å; A645-L661 HydrophobicContact CB-CD2 3.83Å; A645-L661 HydrophobicContact CB-CG 4.32Å; S658-L661 PolarHBondContact O-N 2.75Å; L661-N663 PolarHBondContact O-N 3.02Å; L661-A664 PolarHBondContact O-N 2.66Å; L661-Y665 VanDerWaalsContact O-CB 3.27Å; L661-Y665 WeakPolarHBondContact O-CB 3.48Å; L661-Y665 PolarHBondContact O-N 2.89Å
662	N	87.9	Confident	85.8	Confident	68 Å²	68	54.2 Å²	54.2	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-65.4	-39.5	178.9	-64.7	-9.9	0	0	0	112.1	S658 R666	S658-N662 PolarHBondContact O-N 2.73Å; N662-R666 PolarHBondContact O-N 3.48Å; N662-R666 VanDerWaalsContact O-N 3.09Å
663	N	89.9	Confident	86.6	Confident	93 Å²	93	56.1 Å²	56.1	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-66.2	-44.7	173.1	-74.7	-14.8	0	0	0	112	T659 L661 R666 I667	T659-N663 VanDerWaalsContact O-CB 3.29Å; T659-N663 WeakPolarHBondContact O-CB 3.21Å; T659-N663 PolarHBondContact O-N 3.43Å; T659-N663 PolarHBondContact O-ND2 2.71Å; L661-N663 PolarHBondContact O-N 3.02Å; N663-R666 PolarHBondContact O-N 2.9Å; N663-I667 WeakPolarHBondContact O-CB 3.43Å; N663-I667 WeakPolarHBondContact O-CD1 3.26Å; N663-I667 VanDerWaalsContact O-CG1 3.25Å; N663-I667 WeakPolarHBondContact O-CG1 3.43Å; N663-I667 PolarHBondContact O-N 3.29Å
664	A	90.3	Very high	87.5	Confident	6 Å²	6	59.1 Å²	59.1	5%	0.05	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-47.9	176.7	0	0	0	0	0	111.2	L572 L611 N660 L661 R666 I667 I668	L572-A664 HydrophobicContact CB-CB 4.18Å; L611-A664 HydrophobicContact CD2-CB 4.37Å; N660-A664 VanDerWaalsContact O-CB 3.23Å; N660-A664 WeakPolarHBondContact O-CB 3.31Å; N660-A664 PolarHBondContact O-N 3.27Å; L661-A664 PolarHBondContact O-N 2.66Å; A664-R666 PolarHBondContact O-N 3.09Å; A664-I667 PolarHBondContact O-N 3.39Å; A664-I667 VanDerWaalsContact O-N 3.16Å; A664-I668 WeakPolarHBondContact O-CB 3.49Å; A664-I668 WeakPolarHBondContact O-CG1 3.3Å; A664-I668 PolarHBondContact O-N 3.46Å
665	Y	92	Very high	88.2	Confident	56 Å²	56	55.4 Å²	55.4	22%	0.22	26%	0.263	C	S	.	.	H	α-helix	trans	-52.5	-51.5	174.8	172.7	-97	0	0	0	112.4	V600 T602 L611 L661 I667 I668 K669	V600-Y665 HydrophobicContact CB-CD2 4.19Å; V600-Y665 HydrophobicContact CB-CE2 4.46Å; V600-Y665 HydrophobicContact CG2-CD2 3.81Å; V600-Y665 HydrophobicContact CG2-CE2 4.03Å; V600-Y665 WeakPolarHBondContact O-CE2 3.42Å; T602-Y665 HydrophobicContact CG2-CD2 4.27Å; T602-Y665 HydrophobicContact CG2-CE1 4.31Å; T602-Y665 HydrophobicContact CG2-CE2 3.94Å; L611-Y665 HydrophobicContact CD1-CD2 3.76Å; L611-Y665 HydrophobicContact CD1-CG 4.37Å; L661-Y665 VanDerWaalsContact O-CB 3.27Å; L661-Y665 WeakPolarHBondContact O-CB 3.48Å; L661-Y665 PolarHBondContact O-N 2.89Å; Y665-I667 VanDerWaalsContact C-N 3.35Å; Y665-I667 PolarHBondContact O-N 2.83Å; Y665-I668 PolarHBondContact O-N 3.38Å; Y665-K669 HydrophobicContact CE1-CD 4.05Å; Y665-K669 HydrophobicContact CE2-CD 4.43Å; Y665-K669 PolarHBondContact O-N 2.96Å; Y665-K669 WeakPolarHBondContact OH-CE 3.18Å; Y665-K669 PolarHBondContact OH-NZ 3.45Å
666	R	91.4	Very high	88.7	Confident	184 Å²	184	59.1 Å²	59.1	69%	0.694	27%	0.269	S	S	*	.	H	α-helix	trans	-58.7	-44.8	176.7	176	178.3	170.1	170.3	0.5	111.9	N662 N663 A664 K669 E670	N662-R666 PolarHBondContact O-N 3.48Å; N662-R666 VanDerWaalsContact O-N 3.09Å; N663-R666 PolarHBondContact O-N 2.9Å; A664-R666 PolarHBondContact O-N 3.09Å; R666-K669 PolarHBondContact O-N 3.16Å; R666-E670 PolarHBondContact O-N 2.7Å
667	I	92.8	Very high	88.8	Confident	50 Å²	50	59.3 Å²	59.3	26%	0.256	28%	0.275	S	S	.	.	H	α-helix	trans	-71.6	-37.6	-177.9	-66	165.5	0	0	0	111.5	V574 K576 N663 A664 Y665 E670 V671	V574-I667 HydrophobicContact CB-CB 4.49Å; V574-I667 HydrophobicContact CB-CG2 3.63Å; V574-I667 HydrophobicContact CG1-CG2 3.77Å; V574-I667 HydrophobicContact CG2-CB 4.33Å; V574-I667 HydrophobicContact CG2-CG2 3.98Å; K576-I667 HydrophobicContact CD-CG2 4.49Å; K576-I667 VanDerWaalsContact CE-CG2 3.45Å; K576-I667 HydrophobicContact CG-CG2 4.25Å; N663-I667 WeakPolarHBondContact O-CB 3.43Å; N663-I667 WeakPolarHBondContact O-CD1 3.26Å; N663-I667 VanDerWaalsContact O-CG1 3.25Å; N663-I667 WeakPolarHBondContact O-CG1 3.43Å; N663-I667 PolarHBondContact O-N 3.29Å; A664-I667 PolarHBondContact O-N 3.39Å; A664-I667 VanDerWaalsContact O-N 3.16Å; Y665-I667 VanDerWaalsContact C-N 3.35Å; Y665-I667 PolarHBondContact O-N 2.83Å; I667-E670 WeakPolarHBondContact O-CB 3.46Å; I667-E670 PolarHBondContact O-N 2.72Å; I667-V671 HydrophobicContact CG2-CG2 4.36Å; I667-V671 WeakPolarHBondContact O-CG2 3.28Å; I667-V671 PolarHBondContact O-N 2.85Å
668	I	92.4	Very high	89	Confident	0 Å²	0	62 Å²	62	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-45.2	174.5	-65.4	165.3	0	0	0	109.8	V574 V581 I594 V600 I613 A664 Y665 E670 V671 L672	V574-I668 HydrophobicContact CG2-CD1 4.41Å; V574-I668 HydrophobicContact CG2-CG1 3.74Å; V581-I668 HydrophobicContact CG1-CD1 3.92Å; V581-I668 HydrophobicContact CG1-CG1 4.35Å; V581-I668 HydrophobicContact CG2-CD1 4.19Å; V581-I668 HydrophobicContact CG2-CG1 3.85Å; I594-I668 HydrophobicContact CD1-CG2 4.09Å; V600-I668 HydrophobicContact CG1-CB 4.45Å; V600-I668 HydrophobicContact CG1-CD1 4.33Å; V600-I668 HydrophobicContact CG1-CG2 3.71Å; V600-I668 HydrophobicContact CG2-CB 4.37Å; V600-I668 HydrophobicContact CG2-CG2 4.03Å; I613-I668 HydrophobicContact CD1-CD1 4.38Å; A664-I668 WeakPolarHBondContact O-CB 3.49Å; A664-I668 WeakPolarHBondContact O-CG1 3.3Å; A664-I668 PolarHBondContact O-N 3.46Å; Y665-I668 PolarHBondContact O-N 3.38Å; I668-E670 PolarHBondContact O-N 2.98Å; I668-V671 PolarHBondContact O-N 2.97Å; I668-L672 VanDerWaalsContact O-CB 3.23Å; I668-L672 WeakPolarHBondContact O-CB 3.46Å; I668-L672 PolarHBondContact O-N 2.87Å
669	K	91.5	Very high	88.8	Confident	103 Å²	103	65.2 Å²	65.2	45%	0.448	30%	0.295	S	S	.	.	H	α-helix	trans	-59.5	-41.5	173.6	-81.2	-170.2	161.9	-173.1	0	112.7	V600 Y665 R666 K673	V600-K669 HydrophobicContact CG2-CG 3.92Å; Y665-K669 HydrophobicContact CE1-CD 4.05Å; Y665-K669 HydrophobicContact CE2-CD 4.43Å; Y665-K669 PolarHBondContact O-N 2.96Å; Y665-K669 WeakPolarHBondContact OH-CE 3.18Å; Y665-K669 PolarHBondContact OH-NZ 3.45Å; R666-K669 PolarHBondContact O-N 3.16Å; K669-K673 WeakPolarHBondContact O-CB 3.49Å; K669-K673 PolarHBondContact O-N 2.9Å
670	E	92	Very high	88.4	Confident	55 Å²	55	65.5 Å²	65.5	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-46.4	175.9	-173.5	-164.7	146.8	0	0	112.3	K576 R666 I667 I668 R674	K576-E670 IonicContact NZ-OE1 2.71Å; K576-E670 PolarHBondContact NZ-OE1 2.85Å; K576-E670 IonicContact NZ-OE2 3.48Å; K576-E670 PolarHBondContact NZ-OE2 3.46Å; R666-E670 PolarHBondContact O-N 2.7Å; I667-E670 WeakPolarHBondContact O-CB 3.46Å; I667-E670 PolarHBondContact O-N 2.72Å; I668-E670 PolarHBondContact O-N 2.98Å; E670-R674 PolarHBondContact O-N 2.79Å; E670-R674 IonicContact OE1-CZ 3.68Å; E670-R674 IonicContact OE1-NH1 3.46Å; E670-R674 PolarHBondContact OE1-NH1 2.77Å; E670-R674 IonicContact OE1-NH2 2.8Å; E670-R674 PolarHBondContact OE1-NH2 2.88Å
671	V	92.2	Very high	88	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.03	31%	0.309	C	S	.	.	H	α-helix	trans	-70.8	-41.4	179.8	179.5	0	0	0	0	110.8	V574 K576 E579 I594 I667 I668 K673 R674 F675	V574-V671 HydrophobicContact CG1-CG2 4.26Å; K576-V671 HydrophobicContact CG-CG2 4.06Å; E579-V671 HydrophobicContact CB-CG1 4.16Å; E579-V671 HydrophobicContact CG-CG1 4.38Å; I594-V671 HydrophobicContact CB-CG1 4.24Å; I594-V671 HydrophobicContact CD1-CG1 4.35Å; I594-V671 HydrophobicContact CG1-CG1 4.03Å; I594-V671 HydrophobicContact CG2-CG1 4.35Å; I667-V671 HydrophobicContact CG2-CG2 4.36Å; I667-V671 WeakPolarHBondContact O-CG2 3.28Å; I667-V671 PolarHBondContact O-N 2.85Å; I668-V671 PolarHBondContact O-N 2.97Å; V671-K673 PolarHBondContact O-N 2.96Å; V671-R674 PolarHBondContact O-N 2.77Å; V671-F675 WeakPolarHBondContact O-CB 3.4Å; V671-F675 PolarHBondContact O-N 2.92Å
672	L	90	Very high	87.5	Confident	18 Å²	18	70.4 Å²	70.4	9%	0.094	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-42.9	177.5	-169.5	65.6	0	0	0	112.1	I594 I668 R674 F675 R676	I594-L672 HydrophobicContact CD1-CB 4.18Å; I594-L672 HydrophobicContact CD1-CD1 4.19Å; I594-L672 HydrophobicContact CG1-CB 4.3Å; I594-L672 HydrophobicContact CG1-CD1 3.91Å; I668-L672 VanDerWaalsContact O-CB 3.23Å; I668-L672 WeakPolarHBondContact O-CB 3.46Å; I668-L672 PolarHBondContact O-N 2.87Å; L672-R674 PolarHBondContact O-N 2.83Å; L672-F675 PolarHBondContact O-N 3.38Å; L672-R676 WeakPolarHBondContact O-CB 3.36Å; L672-R676 WeakPolarHBondContact O-CG 3.24Å; L672-R676 PolarHBondContact O-N 3.11Å
673	K	89.5	Confident	86.9	Confident	126 Å²	126	75.1 Å²	75.1	55%	0.548	34%	0.341	S	S	.	.	H	α-helix	trans	-61.6	-42.6	175	-174.1	170.8	-179.8	175	0	111.3	K669 V671 S677	K669-K673 WeakPolarHBondContact O-CB 3.49Å; K669-K673 PolarHBondContact O-N 2.9Å; V671-K673 PolarHBondContact O-N 2.96Å; K673-S677 VanDerWaalsContact O-CB 3.26Å; K673-S677 WeakPolarHBondContact O-CB 3.42Å; K673-S677 PolarHBondContact O-N 2.66Å
674	R	89.2	Confident	86.1	Confident	138 Å²	138	74.1 Å²	74.1	52%	0.521	33%	0.334	S	S	.	.	H	α-helix	trans	-67.6	-41.4	176.7	-73.4	-169.7	-172.5	124.4	13.7	113.3	E670 V671 L672 S677 R678	E670-R674 PolarHBondContact O-N 2.79Å; E670-R674 IonicContact OE1-CZ 3.68Å; E670-R674 IonicContact OE1-NH1 3.46Å; E670-R674 PolarHBondContact OE1-NH1 2.77Å; E670-R674 IonicContact OE1-NH2 2.8Å; E670-R674 PolarHBondContact OE1-NH2 2.88Å; V671-R674 PolarHBondContact O-N 2.77Å; L672-R674 PolarHBondContact O-N 2.83Å; R674-S677 PolarHBondContact O-N 3.06Å; R674-R678 PolarHBondContact O-N 3Å
675	F	86.6	Confident	85.4	Confident	18 Å²	18	79.8 Å²	79.8	8%	0.079	35%	0.354	C	S	.	.	H	α-helix	trans	-63.8	-53.4	179.7	-176.4	-99.2	0	0	0	110.8	H593 I594 V671 L672 S677 R678 E679	H593-F675 AromaticContact CE1-CE2 3.82Å; I594-F675 HydrophobicContact CG2-CB 3.82Å; I594-F675 HydrophobicContact CG2-CD1 3.98Å; I594-F675 HydrophobicContact CG2-CD2 3.55Å; I594-F675 HydrophobicContact CG2-CE2 4.15Å; I594-F675 HydrophobicContact CG2-CG 3.48Å; I594-F675 VanDerWaalsContact CG2-CG 3.48Å; V671-F675 WeakPolarHBondContact O-CB 3.4Å; V671-F675 PolarHBondContact O-N 2.92Å; L672-F675 PolarHBondContact O-N 3.38Å; F675-S677 VanDerWaalsContact C-N 3.32Å; F675-S677 PolarHBondContact O-N 3.4Å; F675-R678 WeakPolarHBondContact O-CB 3.37Å; F675-R678 PolarHBondContact O-N 3.18Å; F675-E679 HydrophobicContact CD1-CG 4.36Å; F675-E679 HydrophobicContact CE1-CG 3.91Å; F675-E679 WeakPolarHBondContact CE1-OE2 3.31Å; F675-E679 HydrophobicContact CE2-CG 4.43Å; F675-E679 VanDerWaalsContact CZ-CD 3.4Å; F675-E679 HydrophobicContact CZ-CG 3.91Å; F675-E679 PolarHBondContact O-N 3.5Å
676	R	85.3	Confident	84.5	Confident	132 Å²	132	80.7 Å²	80.7	50%	0.498	37%	0.373	S	S	.	.	H	α-helix	trans	-57.3	-41.9	175.8	-69.3	179.7	178.7	-159.9	1.2	112.5	K598 L672 R678 E679 A680	K598-R676 PolarHBondContact O-NH2 3.31Å; L672-R676 WeakPolarHBondContact O-CB 3.36Å; L672-R676 WeakPolarHBondContact O-CG 3.24Å; L672-R676 PolarHBondContact O-N 3.11Å; R676-R678 VanDerWaalsContact C-N 3.31Å; R676-R678 PolarHBondContact O-N 2.96Å; R676-E679 PolarHBondContact O-N 3.43Å; R676-A680 WeakPolarHBondContact O-CB 3.2Å; R676-A680 PolarHBondContact O-N 3.43Å
677	S	83.8	Confident	83.6	Confident	64 Å²	64	78.5 Å²	78.5	45%	0.448	38%	0.375	S	S	.	.	H	α-helix	trans	-62.1	-36.4	176.3	-172.4	0	0	0	0	112.8	K673 R674 F675 E681	K673-S677 VanDerWaalsContact O-CB 3.26Å; K673-S677 WeakPolarHBondContact O-CB 3.42Å; K673-S677 PolarHBondContact O-N 2.66Å; R674-S677 PolarHBondContact O-N 3.06Å; F675-S677 VanDerWaalsContact C-N 3.32Å; F675-S677 PolarHBondContact O-N 3.4Å; S677-E681 PolarHBondContact O-N 2.96Å; S677-E681 VanDerWaalsContact O-N 3.13Å
678	R	84.5	Confident	82.9	Confident	97 Å²	97	79.1 Å²	79.1	37%	0.366	38%	0.379	S	S	.	.	H	α-helix	trans	-72.1	-42.7	175.9	-168.4	-167.5	-54.3	131.7	8.5	111.4	E579 R674 F675 R676 A680 E681 E682	E579-R678 IonicContact OE1-CZ 3.92Å; E579-R678 IonicContact OE1-NH1 3.66Å; E579-R678 PolarHBondContact OE1-NH1 2.95Å; E579-R678 IonicContact OE1-NH2 2.67Å; E579-R678 PolarHBondContact OE1-NH2 3.44Å; E579-R678 IonicContact OE2-CZ 2.71Å; E579-R678 IonicContact OE2-NH1 2.62Å; E579-R678 PolarHBondContact OE2-NH1 2.78Å; E579-R678 IonicContact OE2-NH2 3.9Å; R674-R678 PolarHBondContact O-N 3Å; F675-R678 WeakPolarHBondContact O-CB 3.37Å; F675-R678 PolarHBondContact O-N 3.18Å; R676-R678 VanDerWaalsContact C-N 3.31Å; R676-R678 PolarHBondContact O-N 2.96Å; R678-A680 VanDerWaalsContact C-N 3.31Å; R678-A680 PolarHBondContact O-N 3Å; R678-E681 PolarHBondContact O-N 3.39Å; R678-E682 WeakPolarHBondContact CD-OE1 3.14Å; R678-E682 WeakPolarHBondContact CG-OE1 3.14Å; R678-E682 WeakPolarHBondContact O-CB 3.29Å; R678-E682 WeakPolarHBondContact O-CG 3.48Å; R678-E682 PolarHBondContact O-N 3.14Å
679	E	80.8	Confident	82.4	Confident	70 Å²	70	82.9 Å²	82.9	33%	0.327	40%	0.401	S	S	.	.	H	α-helix	trans	-65	-35.4	177.3	-67.9	-155.3	121.6	0	0	112.4	F675 R676 E682 K683	F675-E679 HydrophobicContact CD1-CG 4.36Å; F675-E679 HydrophobicContact CE1-CG 3.91Å; F675-E679 WeakPolarHBondContact CE1-OE2 3.31Å; F675-E679 HydrophobicContact CE2-CG 4.43Å; F675-E679 VanDerWaalsContact CZ-CD 3.4Å; F675-E679 HydrophobicContact CZ-CG 3.91Å; F675-E679 PolarHBondContact O-N 3.5Å; R676-E679 PolarHBondContact O-N 3.43Å; E679-E682 PolarHBondContact O-N 2.83Å; E679-K683 VanDerWaalsContact O-CB 3.27Å; E679-K683 WeakPolarHBondContact O-CB 3.2Å; E679-K683 PolarHBondContact O-N 3.47Å
680	A	77.2	Confident	82	Confident	55 Å²	55	86.9 Å²	86.9	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-62.2	-50.4	170.1	0	0	0	0	0	111.8	R676 R678 E682 K683 E684	R676-A680 WeakPolarHBondContact O-CB 3.2Å; R676-A680 PolarHBondContact O-N 3.43Å; R678-A680 VanDerWaalsContact C-N 3.31Å; R678-A680 PolarHBondContact O-N 3Å; A680-E682 VanDerWaalsContact C-N 3.27Å; A680-E682 PolarHBondContact O-N 2.76Å; A680-K683 PolarHBondContact O-N 3.3Å; A680-E684 WeakPolarHBondContact O-CG 3.42Å; A680-E684 PolarHBondContact O-N 3Å
681	E	78.6	Confident	81.7	Confident	62 Å²	62	87.2 Å²	87.2	29%	0.29	42%	0.423	S	S	.	.	H	α-helix	trans	-59.1	-35.4	175	-79.9	-171.4	-149.6	0	0	113.1	S677 R678 R685	S677-E681 PolarHBondContact O-N 2.96Å; S677-E681 VanDerWaalsContact O-N 3.13Å; R678-E681 PolarHBondContact O-N 3.39Å; E681-R685 WeakPolarHBondContact O-CB 3.42Å; E681-R685 VanDerWaalsContact O-CG 3.29Å; E681-R685 WeakPolarHBondContact O-CG 3.46Å; E681-R685 PolarHBondContact O-N 3.07Å; E681-R685 IonicContact OE2-CZ 3.14Å; E681-R685 IonicContact OE2-NH1 2.7Å; E681-R685 PolarHBondContact OE2-NH1 3.13Å; E681-R685 IonicContact OE2-NH2 2.7Å; E681-R685 PolarHBondContact OE2-NH2 2.95Å
682	E	79.3	Confident	81.5	Confident	78 Å²	78	92 Å²	92	36%	0.364	45%	0.449	S	S	.	.	H	α-helix	trans	-75.3	-36.7	176.7	-74.1	176	-162.2	0	0	112.5	K550 R678 E679 A680 R685 A686	K550-E682 IonicContact NZ-OE2 2.61Å; K550-E682 PolarHBondContact NZ-OE2 3.48Å; R678-E682 WeakPolarHBondContact CD-OE1 3.14Å; R678-E682 WeakPolarHBondContact CG-OE1 3.14Å; R678-E682 WeakPolarHBondContact O-CB 3.29Å; R678-E682 WeakPolarHBondContact O-CG 3.48Å; R678-E682 PolarHBondContact O-N 3.14Å; E679-E682 PolarHBondContact O-N 2.83Å; A680-E682 VanDerWaalsContact C-N 3.27Å; A680-E682 PolarHBondContact O-N 2.76Å; E682-R685 PolarHBondContact O-N 3.03Å; E682-A686 WeakPolarHBondContact O-CB 3.41Å; E682-A686 PolarHBondContact O-N 2.83Å
683	K	76.2	Confident	81.5	Confident	167 Å²	167	98.5 Å²	98.5	73%	0.726	48%	0.484	S	S	*	.	H	α-helix	trans	-65	-40.4	173.6	-174	178.8	179.5	-177.3	0	111	E679 A680	E679-K683 VanDerWaalsContact O-CB 3.27Å; E679-K683 WeakPolarHBondContact O-CB 3.2Å; E679-K683 PolarHBondContact O-N 3.47Å; A680-K683 PolarHBondContact O-N 3.3Å
684	E	72.9	Confident	81.4	Confident	72 Å²	72	93.2 Å²	93.2	34%	0.336	46%	0.461	S	S	.	.	H	α-helix	trans	-58.3	-56.7	169.4	-75.3	-71.4	102.9	0	0	110.7	A680 A686 M772 K777	A680-E684 WeakPolarHBondContact O-CG 3.42Å; A680-E684 PolarHBondContact O-N 3Å; E684-A686 VanDerWaalsContact C-N 3.3Å; E684-A686 PolarHBondContact O-N 2.85Å; E684-M772 HydrophobicContact CB-CE 3.97Å; E684-K777 HydrophobicContact CB-CD 4.13Å; E684-K777 HydrophobicContact CB-CG 4.46Å; E684-K777 WeakPolarHBondContact O-CD 3.05Å; E684-K777 VanDerWaalsContact O-CE 3.23Å; E684-K777 WeakPolarHBondContact O-CE 3.19Å; E684-K777 PolarHBondContact O-NZ 2.98Å; E684-K777 WeakPolarHBondContact OE2-CB 3.44Å; E684-K777 WeakPolarHBondContact OE2-CD 3.34Å; E684-K777 VanDerWaalsContact OE2-CG 3.24Å; E684-K777 WeakPolarHBondContact OE2-CG 3.26Å; E684-K777 PolarHBondContact OE2-N 3.07Å; E684-K777 VanDerWaalsContact OE2-N 3.14Å
685	R	75.2	Confident	81.4	Confident	126 Å²	126	90.6 Å²	90.6	48%	0.475	46%	0.46	S	S	.	.	H	α-helix	trans	-63.2	-29.9	-177.4	-73	177.5	-168	121.3	13.3	114	E681 E682 N687 L688 M772	E681-R685 WeakPolarHBondContact O-CB 3.42Å; E681-R685 VanDerWaalsContact O-CG 3.29Å; E681-R685 WeakPolarHBondContact O-CG 3.46Å; E681-R685 PolarHBondContact O-N 3.07Å; E681-R685 IonicContact OE2-CZ 3.14Å; E681-R685 IonicContact OE2-NH1 2.7Å; E681-R685 PolarHBondContact OE2-NH1 3.13Å; E681-R685 IonicContact OE2-NH2 2.7Å; E681-R685 PolarHBondContact OE2-NH2 2.95Å; E682-R685 PolarHBondContact O-N 3.03Å; R685-N687 VanDerWaalsContact C-N 3.32Å; R685-N687 PolarHBondContact O-N 2.89Å; R685-L688 WeakPolarHBondContact O-CB 3.28Å; R685-L688 PolarHBondContact O-N 3.09Å; R685-L688 VanDerWaalsContact O-N 3.15Å; R685-M772 HydrophobicContact CG-CE 3.74Å; R685-M772 HydrophobicContact CG-SD 3.9Å
686	A	73.2	Confident	81.3	Confident	75 Å²	75	92 Å²	92	62%	0.62	47%	0.47	S	S	*	.	H	α-helix	trans	-57.9	-41.2	-175.3	0	0	0	0	0	113.4	E682 E684 L688	E682-A686 WeakPolarHBondContact O-CB 3.41Å; E682-A686 PolarHBondContact O-N 2.83Å; E684-A686 VanDerWaalsContact C-N 3.3Å; E684-A686 PolarHBondContact O-N 2.85Å; A686-L688 VanDerWaalsContact C-N 3.33Å; A686-L688 PolarHBondContact O-N 3.02Å
687	N	71.8	Confident	81	Confident	137 Å²	137	88.6 Å²	88.6	73%	0.733	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	31.2	-179.4	-62.4	3.7	0	0	0	111.7	R685 K777	R685-N687 VanDerWaalsContact C-N 3.32Å; R685-N687 PolarHBondContact O-N 2.89Å; N687-K777 PolarHBondContact O-NZ 2.83Å
688	L	77.6	Confident	80.5	Confident	64 Å²	64	93.9 Å²	93.9	34%	0.335	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-98.4	120.4	-179.9	-170.4	75	0	0	0	109.7	R685 A686 A770 M772	R685-L688 WeakPolarHBondContact O-CB 3.28Å; R685-L688 PolarHBondContact O-N 3.09Å; R685-L688 VanDerWaalsContact O-N 3.15Å; A686-L688 VanDerWaalsContact C-N 3.33Å; A686-L688 PolarHBondContact O-N 3.02Å; L688-A770 WeakPolarHBondContact CD1-O 3.43Å; L688-M772 HydrophobicContact CD1-CB 4.11Å; L688-M772 HydrophobicContact CD2-CB 4.1Å
689	V	83.2	Confident	79.2	Confident	79 Å²	79	92 Å²	92	48%	0.479	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-82.2	118.6	175.2	179.9	0	0	0	0	108.9	Q691 N769	V689-Q691 PolarHBondContact O-NE2 2.84Å; V689-N769 HydrophobicContact CB-CB 4.17Å; V689-N769 HydrophobicContact CG2-CB 4.43Å; V689-N769 WeakPolarHBondContact CG2-OD1 3.4Å
690	E	83.3	Confident	78.2	Confident	187 Å²	187	99.4 Å²	99.4	87%	0.874	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-58.5	135.3	174.3	-167.9	165.6	-155.2	0	0	110.2
691	Q	85.2	Confident	77.2	Confident	61 Å²	61	99 Å²	99	29%	0.285	52%	0.517	S	S	.	.			trans	-109.4	155.5	-173.2	-59.2	-62.9	-68.9	0	0	110.4	V689 L743 N746 I771	V689-Q691 PolarHBondContact O-NE2 2.84Å; Q691-L743 HydrophobicContact CB-CD1 3.99Å; Q691-N746 VanDerWaalsContact OE1-CB 3.3Å; Q691-N746 VanDerWaalsContact OE1-CG 3.23Å; Q691-N746 PolarHBondContact OE1-ND2 3.14Å; Q691-I771 HydrophobicContact CG-CG2 4.18Å
692	D	88.5	Confident	76.4	Confident	107 Å²	107	96.9 Å²	96.9	57%	0.572	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-64.7	155.9	173.2	-55.7	-62.4	0	0	0	112.5	L743 N745	D692-L743 HydrophobicContact CB-CD1 3.79Å; D692-L743 WeakPolarHBondContact O-CD1 3.23Å; D692-N745 PolarHBondContact OD2-ND2 2.95Å
693	D	88.6	Confident	76.5	Confident	154 Å²	154	96.7 Å²	96.7	82%	0.824	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-67	139.7	169.8	-83	-45.9	0	0	0	112.1	N728	D693-N728 PolarHBondContact O-ND2 2.87Å
694	L	89	Confident	77	Confident	15 Å²	15	94.9 Å²	94.9	8%	0.079	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-75.7	126.1	174.6	-170.2	77	0	0	0	111.7	V696 N728 G729 R731 D741 L743	L694-V696 PolarHBondContact O-N 2.88Å; L694-V696 VanDerWaalsContact O-N 3.16Å; L694-N728 WeakPolarHBondContact CD1-OD1 3.19Å; L694-G729 VanDerWaalsContact CD1-CA 3.48Å; L694-R731 HydrophobicContact CD2-CB 3.62Å; L694-D741 HydrophobicContact CB-CB 4.26Å; L694-D741 WeakPolarHBondContact CB-OD2 3.49Å; L694-D741 HydrophobicContact CD2-CB 4.18Å; L694-L743 HydrophobicContact CB-CD2 4.41Å; L694-L743 HydrophobicContact CD1-CD2 3.87Å
695	V	87.8	Confident	77.9	Confident	83 Å²	83	92 Å²	92	50%	0.503	48%	0.482	S	S	.	.			trans	-83	93.3	-179	-179.4	0	0	0	0	110	D697 S727 N728	V695-D697 PolarHBondContact O-N 2.96Å; V695-D697 VanDerWaalsContact O-N 3.14Å; V695-S727 WeakPolarHBondContact CG1-OG 3.27Å; V695-N728 PolarHBondContact N-OD1 3.41Å
696	V	84.4	Confident	78.7	Confident	46 Å²	46	92.4 Å²	92.4	28%	0.279	49%	0.487	S	S	.	.			trans	-72.5	103.3	-173.2	-172.1	0	0	0	0	112.7	L694 H698	L694-V696 PolarHBondContact O-N 2.88Å; L694-V696 VanDerWaalsContact O-N 3.16Å; V696-H698 PolarHBondContact O-N 3.47Å
697	D	80.9	Confident	79.5	Confident	61 Å²	61	94 Å²	94	33%	0.326	49%	0.485	S	S	.	.			trans	-68.3	96.4	172.6	-71.1	-71.6	0	0	0	112.7	V695 A699 H726 S727	V695-D697 PolarHBondContact O-N 2.96Å; V695-D697 VanDerWaalsContact O-N 3.14Å; D697-A699 PolarHBondContact O-N 2.73Å; D697-H726 PolarHBondContact N-ND1 3.24Å; D697-H726 WeakPolarHBondContact OD2-CA 3.45Å; D697-S727 WeakPolarHBondContact OD2-CB 3.22Å; D697-S727 PolarHBondContact OD2-N 3.17Å; D697-S727 PolarHBondContact OD2-OG 3.35Å
698	H	71.5	Confident	80.5	Confident	176 Å²	176	87.5 Å²	87.5	82%	0.815	45%	0.45	S	S	*	.			trans	-67.7	9.6	177.1	-61.1	-41.9	0	0	0	115.4	V696	V696-H698 PolarHBondContact O-N 3.47Å
699	A	58.5	Low	81.3	Confident	57 Å²	57	86.7 Å²	86.7	47%	0.471	44%	0.443	S	S	.	.	S	Bend	trans	-71	145.3	-179.6	0	0	0	0	0	111.9	D697 G701 S702	D697-A699 PolarHBondContact O-N 2.73Å; A699-G701 PolarHBondContact O-N 2.89Å; A699-S702 PolarHBondContact O-N 2.89Å; A699-S702 VanDerWaalsContact O-N 3.1Å; A699-S702 PolarHBondContact O-OG 2.9Å
700	K	58.9	Low	81.8	Confident	226 Å²	226	83.1 Å²	83.1	98%	0.983	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-2.7	167.6	-76.2	-171	174.8	-176.6	0	114.2
701	G	57.3	Low	82.2	Confident	47 Å²	47	76.5 Å²	76.5	49%	0.485	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	6.7	175.7	0	0	0	0	0	114.9	A699 F703	A699-G701 PolarHBondContact O-N 2.89Å; G701-F703 WeakPolarHBondContact O-CD1 3.34Å; G701-F703 WeakPolarHBondContact O-CE1 3.42Å; G701-F703 PolarHBondContact O-N 2.88Å
702	S	61.5	Low	82.5	Confident	16 Å²	16	75.6 Å²	75.6	11%	0.112	39%	0.388	C	S	.	.			trans	-55.1	126.3	168.6	36.6	0	0	0	0	109.2	A699 R704	A699-S702 PolarHBondContact O-N 2.89Å; A699-S702 VanDerWaalsContact O-N 3.1Å; A699-S702 PolarHBondContact O-OG 2.9Å; S702-R704 WeakPolarHBondContact O-CG 3.23Å; S702-R704 PolarHBondContact OG-NE 2.91Å; S702-R704 PolarHBondContact OG-NH2 2.86Å
703	F	80.3	Confident	82.5	Confident	74 Å²	74	73.6 Å²	73.6	33%	0.325	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.8	-178.7	-56.8	-51.8	0	0	0	109.1	G701 E724 A725 R830	G701-F703 WeakPolarHBondContact O-CD1 3.34Å; G701-F703 WeakPolarHBondContact O-CE1 3.42Å; G701-F703 PolarHBondContact O-N 2.88Å; F703-E724 WeakPolarHBondContact O-CA 3.38Å; F703-A725 PolarHBondContact O-N 2.93Å; F703-R830 HydrophobicContact CD2-CB 3.79Å; F703-R830 HydrophobicContact CD2-CG 4.47Å; F703-R830 VanDerWaalsContact CE1-NH1 3.34Å; F703-R830 HydrophobicContact CE2-CB 4.01Å; F703-R830 HydrophobicContact CE2-CG 4.41Å; F703-R830 HydrophobicContact CG-CB 4.32Å
704	R	88.1	Confident	82.4	Confident	130 Å²	130	67.8 Å²	67.8	49%	0.491	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.7	-169.2	-42.7	-171.8	-177.1	-146.8	-11.2	110.5	S702 T722 L723 E724	S702-R704 WeakPolarHBondContact O-CG 3.23Å; S702-R704 PolarHBondContact OG-NE 2.91Å; S702-R704 PolarHBondContact OG-NH2 2.86Å; R704-T722 HydrophobicContact CB-CG2 3.79Å; R704-L723 CarbonylContact C-O 3.5Å; R704-L723 VanDerWaalsContact CA-O 3.29Å; R704-L723 WeakPolarHBondContact CA-O 3.39Å; R704-E724 HydrophobicContact CB-CG 4.28Å; R704-E724 WeakPolarHBondContact CD-OE1 3.42Å; R704-E724 HydrophobicContact CG-CG 3.82Å; R704-E724 IonicContact CZ-OE1 3.73Å; R704-E724 IonicContact CZ-OE2 3.6Å; R704-E724 IonicContact NE-OE1 3.52Å; R704-E724 PolarHBondContact NE-OE1 3.41Å; R704-E724 IonicContact NE-OE2 2.71Å; R704-E724 PolarHBondContact NE-OE2 2.8Å; R704-E724 VanDerWaalsContact NE-OE2 3.1Å; R704-E724 VanDerWaalsContact NH1-CD 3.31Å; R704-E724 IonicContact NH1-OE1 2.67Å; R704-E724 PolarHBondContact NH1-OE1 2.97Å; R704-E724 IonicContact NH1-OE2 3.56Å; R704-E724 PolarHBondContact NH1-OE2 3.06Å; R704-E724 IonicContact NH2-OE1 3.49Å; R704-E724 IonicContact NH2-OE2 3.51Å; R704-E724 PolarHBondContact NH2-OE2 3.31Å
705	L	91.9	Very high	81.9	Confident	12 Å²	12	68.8 Å²	68.8	6%	0.063	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.5	169.1	-172	60.9	0	0	0	107.9	L708 T722 L723 L763 A823 F824 F827	L705-L708 HydrophobicContact CB-CD1 3.96Å; L705-L708 HydrophobicContact CD2-CD1 4.06Å; L705-L708 HydrophobicContact CD2-CD2 4.02Å; L705-L708 HydrophobicContact CD2-CG 4.44Å; L705-L708 HydrophobicContact CG-CD1 3.88Å; L705-L708 HydrophobicContact CG-CD2 4.16Å; L705-L708 HydrophobicContact CG-CG 4.15Å; L705-T722 CarbonylContact O-C 3.5Å; L705-T722 WeakPolarHBondContact O-CA 3.31Å; L705-T722 WeakPolarHBondContact O-CG2 3.35Å; L705-L723 PolarHBondContact N-O 3.17Å; L705-L723 PolarHBondContact O-N 3.05Å; L705-L763 HydrophobicContact CD2-CD1 3.98Å; L705-A823 HydrophobicContact CD1-CB 4.38Å; L705-F824 HydrophobicContact CD1-CD2 3.97Å; L705-F824 HydrophobicContact CD1-CE2 4.11Å; L705-F824 HydrophobicContact CD2-CD1 3.91Å; L705-F824 HydrophobicContact CD2-CD2 3.92Å; L705-F824 HydrophobicContact CD2-CE1 3.89Å; L705-F824 HydrophobicContact CD2-CE2 3.89Å; L705-F824 HydrophobicContact CD2-CG 3.93Å; L705-F824 HydrophobicContact CD2-CZ 3.88Å; L705-F824 HydrophobicContact CG-CD2 4.46Å; L705-F824 HydrophobicContact CG-CE2 4.3Å; L705-F827 HydrophobicContact CB-CB 4.46Å; L705-F827 HydrophobicContact CB-CD2 3.69Å; L705-F827 HydrophobicContact CB-CE2 4Å; L705-F827 HydrophobicContact CB-CG 3.97Å; L705-F827 HydrophobicContact CD2-CB 4.28Å; L705-F827 HydrophobicContact CD2-CD1 4.22Å; L705-F827 HydrophobicContact CD2-CG 4.16Å
706	K	91.3	Very high	81.5	Confident	134 Å²	134	70.5 Å²	70.5	58%	0.583	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	167.8	-171.2	-65.4	-173.9	177.8	-178.4	0	111.5	L708 T722	K706-L708 PolarHBondContact O-N 2.88Å; K706-T722 HydrophobicContact CG-CG2 4.16Å
707	D	89.9	Confident	81.4	Confident	108 Å²	108	76 Å²	76	58%	0.578	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.7	37.6	170.1	-52	-55.6	0	0	0	111.6	G721 T785	D707-G721 PolarHBondContact N-O 3.1Å; D707-G721 VanDerWaalsContact N-O 3.13Å; D707-T785 PolarHBondContact O-OG1 3.46Å; D707-T785 VanDerWaalsContact O-OG1 3.07Å
708	L	93.7	Very high	81.6	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.7	174.3	-68.5	168.8	0	0	0	109.8	L705 K706 T720 G721 L723 F732 F783 F824	L705-L708 HydrophobicContact CB-CD1 3.96Å; L705-L708 HydrophobicContact CD2-CD1 4.06Å; L705-L708 HydrophobicContact CD2-CD2 4.02Å; L705-L708 HydrophobicContact CD2-CG 4.44Å; L705-L708 HydrophobicContact CG-CD1 3.88Å; L705-L708 HydrophobicContact CG-CD2 4.16Å; L705-L708 HydrophobicContact CG-CG 4.15Å; K706-L708 PolarHBondContact O-N 2.88Å; L708-T720 CarbonylContact O-C 3.52Å; L708-T720 WeakPolarHBondContact O-CA 3.36Å; L708-G721 PolarHBondContact N-O 2.91Å; L708-G721 PolarHBondContact O-N 3.43Å; L708-L723 HydrophobicContact CD1-CB 3.39Å; L708-L723 HydrophobicContact CD1-CD2 4.28Å; L708-L723 HydrophobicContact CD1-CG 4.48Å; L708-F732 HydrophobicContact CB-CE2 4.24Å; L708-F783 HydrophobicContact CD1-CB 4.2Å; L708-F783 HydrophobicContact CD2-CB 4.22Å; L708-F824 HydrophobicContact CD2-CE1 4.12Å; L708-F824 HydrophobicContact CD2-CE2 4.23Å; L708-F824 HydrophobicContact CD2-CZ 3.46Å; L708-F824 VanDerWaalsContact CD2-CZ 3.46Å
709	Y	93.7	Very high	82.4	Confident	48 Å²	48	71.6 Å²	71.6	19%	0.188	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	153	159.6	-61.3	-63.6	0	0	0	109.9	R718 T720 F783 Y784 E786	Y709-R718 HydrophobicContact CD1-CG 3.39Å; Y709-R718 HydrophobicContact CE1-CG 3.68Å; Y709-R718 HydrophobicContact CG-CG 4.01Å; Y709-R718 PolarHBondContact OH-NH2 3.07Å; Y709-R718 VanDerWaalsContact OH-NH2 3.09Å; Y709-T720 HydrophobicContact CD1-CG2 3.76Å; Y709-T720 HydrophobicContact CE1-CG2 3.36Å; Y709-F783 VanDerWaalsContact O-CA 3.31Å; Y709-F783 WeakPolarHBondContact O-CA 3.13Å; Y709-Y784 HydrophobicContact CD2-CD2 4.43Å; Y709-Y784 HydrophobicContact CD2-CE1 4.49Å; Y709-Y784 AromaticContact CD2-CE2 3.92Å; Y709-Y784 HydrophobicContact CD2-CE2 3.92Å; Y709-Y784 AromaticContact CD2-CZ 3.96Å; Y709-Y784 HydrophobicContact CG-CE1 4.27Å; Y709-Y784 HydrophobicContact CG-CE2 4.47Å; Y709-Y784 PolarHBondContact N-O 3.08Å; Y709-Y784 WeakPolarHBondContact O-CD1 3.18Å; Y709-Y784 PolarHBondContact O-N 2.79Å; Y709-E786 HydrophobicContact CE2-CG 4.33Å; Y709-E786 WeakPolarHBondContact CE2-OE2 3.5Å
710	I	93.7	Very high	84	Confident	4 Å²	4	70.9 Å²	70.9	2%	0.021	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	141.3	173.7	-171.2	179.3	0	0	0	110.5	N713 V714 F732 V740 Y773 I781 Q782 F783	I710-N713 PolarHBondContact O-OD1 2.55Å; I710-V714 HydrophobicContact CD1-CG2 4.14Å; I710-V714 HydrophobicContact CG2-CG2 4.02Å; I710-F732 HydrophobicContact CB-CD1 4.45Å; I710-F732 HydrophobicContact CB-CE1 4Å; I710-F732 HydrophobicContact CB-CE2 4.41Å; I710-F732 HydrophobicContact CB-CZ 3.97Å; I710-F732 HydrophobicContact CD1-CD1 4.14Å; I710-F732 HydrophobicContact CD1-CE1 4.43Å; I710-F732 HydrophobicContact CG2-CD1 4.46Å; I710-F732 HydrophobicContact CG2-CE1 3.75Å; I710-F732 HydrophobicContact CG2-CZ 3.97Å; I710-V740 HydrophobicContact CD1-CB 4.4Å; I710-V740 HydrophobicContact CD1-CG1 4.48Å; I710-V740 HydrophobicContact CD1-CG2 4.11Å; I710-Y773 HydrophobicContact CD1-CE2 4.15Å; I710-I781 HydrophobicContact CD1-CG2 4.11Å; I710-I781 HydrophobicContact CG1-CG2 4.12Å; I710-Q782 CarbonylContact C-O 3.52Å; I710-Q782 WeakPolarHBondContact CA-O 3.41Å; I710-F783 HydrophobicContact CB-CD1 4.08Å; I710-F783 HydrophobicContact CB-CE1 3.98Å; I710-F783 HydrophobicContact CD1-CE1 3.68Å; I710-F783 HydrophobicContact CD1-CZ 4.17Å; I710-F783 HydrophobicContact CG1-CD1 4.04Å; I710-F783 HydrophobicContact CG1-CE1 3.59Å; I710-F783 HydrophobicContact CG1-CZ 4.32Å
711	R	91.6	Very high	85.6	Confident	47 Å²	47	60.3 Å²	60.3	18%	0.177	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.1	172.2	-87	162.4	178.1	-164.8	1.2	108.8	Q782 Y784 V873 L875	R711-Q782 HydrophobicContact CB-CB 4.06Å; R711-Q782 PolarHBondContact N-O 2.84Å; R711-Q782 PolarHBondContact O-N 3.13Å; R711-Y784 HydrophobicContact CB-CE1 4.38Å; R711-Y784 HydrophobicContact CG-CD1 4.12Å; R711-Y784 HydrophobicContact CG-CE1 3.52Å; R711-Y784 VanDerWaalsContact NE-CE1 3.32Å; R711-Y784 VanDerWaalsContact NE-CZ 3.27Å; R711-Y784 PolarHBondContact NE-OH 3.24Å; R711-V873 PolarHBondContact NH1-O 2.9Å; R711-V873 VanDerWaalsContact NH1-O 3.09Å; R711-L875 HydrophobicContact CB-CD1 4.16Å; R711-L875 HydrophobicContact CG-CD1 3.84Å
712	P	91.4	Very high	87.3	Confident	43 Å²	43	59.6 Å²	59.6	28%	0.279	30%	0.299	S	S	.	.	S	Bend	cis	-55.2	156.8	-15.5	-29.8	40.2	0	0	0	114.1	Y773 D780	P712-Y773 WeakPolarHBondContact CD-OH 3.05Å; P712-D780 WeakPolarHBondContact CD-O 3.45Å
713	N	89.2	Confident	88.9	Confident	65 Å²	65	58.9 Å²	58.9	35%	0.348	29%	0.293	S	S	.	.			trans	-74.7	139.4	-179.7	-64.2	-74.4	0	0	0	111	I710 A715 R718	I710-N713 PolarHBondContact O-OD1 2.55Å; N713-A715 WeakPolarHBondContact CB-O 3.24Å; N713-A715 PolarHBondContact O-N 2.83Å; N713-R718 WeakPolarHBondContact OD1-CA 3.48Å
714	V	85.3	Confident	89.5	Confident	32 Å²	32	56.5 Å²	56.5	19%	0.194	28%	0.283	C	S	.	.	S	Bend	trans	-63.8	-24.5	175.7	-175.3	0	0	0	0	112.7	I710 D738 V740 Y773	I710-V714 HydrophobicContact CD1-CG2 4.14Å; I710-V714 HydrophobicContact CG2-CG2 4.02Å; V714-D738 HydrophobicContact CG1-CB 4.1Å; V714-V740 HydrophobicContact CG2-CG2 3.69Å; V714-Y773 HydrophobicContact CB-CD2 4.45Å; V714-Y773 HydrophobicContact CG2-CD2 3.91Å; V714-Y773 HydrophobicContact CG2-CE2 4.17Å
715	A	79.6	Confident	89.6	Confident	36 Å²	36	50.4 Å²	50.4	30%	0.298	26%	0.261	S	S	.	.	S	Bend	trans	-139.5	170	175.6	0	0	0	0	0	110	N713 K717 I719	N713-A715 WeakPolarHBondContact CB-O 3.24Å; N713-A715 PolarHBondContact O-N 2.83Å; A715-K717 PolarHBondContact O-N 3.41Å; A715-K717 VanDerWaalsContact O-N 3.07Å; A715-I719 HydrophobicContact CB-CD1 4.26Å
716	S	77.9	Confident	89.6	Confident	119 Å²	119	50 Å²	50	83%	0.832	26%	0.258	S	S	*	.	S	Bend	trans	-61.2	-18.8	-179.8	53.8	0	0	0	0	114.7
717	K	82.8	Confident	89.3	Confident	162 Å²	162	45.7 Å²	45.7	70%	0.704	25%	0.245	S	C	*	.	S	Bend	trans	-100	134.2	175	-61.8	-167.9	177.9	-169.5	0	110.8	A715 I719	A715-K717 PolarHBondContact O-N 3.41Å; A715-K717 VanDerWaalsContact O-N 3.07Å; K717-I719 WeakPolarHBondContact O-CD1 3.32Å; K717-I719 WeakPolarHBondContact O-CG1 3.49Å; K717-I719 PolarHBondContact O-N 3.11Å
718	R	86	Confident	89.4	Confident	110 Å²	110	41.5 Å²	41.5	42%	0.415	22%	0.223	S	C	.	.			trans	-60.8	126.9	169.6	-173.7	172.1	81.2	173.2	16.8	110	Y709 N713 Y784 E786	Y709-R718 HydrophobicContact CD1-CG 3.39Å; Y709-R718 HydrophobicContact CE1-CG 3.68Å; Y709-R718 HydrophobicContact CG-CG 4.01Å; Y709-R718 PolarHBondContact OH-NH2 3.07Å; Y709-R718 VanDerWaalsContact OH-NH2 3.09Å; N713-R718 WeakPolarHBondContact OD1-CA 3.48Å; R718-Y784 WeakPolarHBondContact CD-OH 3.2Å; R718-E786 IonicContact CZ-OE1 3.66Å; R718-E786 IonicContact CZ-OE2 3.59Å; R718-E786 VanDerWaalsContact CZ-OE2 3.31Å; R718-E786 VanDerWaalsContact NH1-CD 3.29Å; R718-E786 IonicContact NH1-OE1 3.61Å; R718-E786 PolarHBondContact NH1-OE1 2.89Å; R718-E786 IonicContact NH1-OE2 2.66Å; R718-E786 PolarHBondContact NH1-OE2 3.1Å; R718-E786 IonicContact NH2-OE1 2.7Å; R718-E786 IonicContact NH2-OE2 3.02Å; R718-E786 PolarHBondContact NH2-OE2 3.03Å
719	I	87.7	Confident	89.3	Confident	33 Å²	33	41.5 Å²	41.5	17%	0.169	22%	0.223	C	C	.	.			trans	-133.3	135.9	-174.6	-68.3	151.3	0	0	0	108.6	A715 K717 R736	A715-I719 HydrophobicContact CB-CD1 4.26Å; K717-I719 WeakPolarHBondContact O-CD1 3.32Å; K717-I719 WeakPolarHBondContact O-CG1 3.49Å; K717-I719 PolarHBondContact O-N 3.11Å; I719-R736 HydrophobicContact CD1-CG 4.46Å
720	T	92.2	Very high	89.3	Confident	43 Å²	43	39.3 Å²	39.3	26%	0.264	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	155.8	171.9	50.3	0	0	0	0	111.9	L708 Y709 V735	L708-T720 CarbonylContact O-C 3.52Å; L708-T720 WeakPolarHBondContact O-CA 3.36Å; Y709-T720 HydrophobicContact CD1-CG2 3.76Å; Y709-T720 HydrophobicContact CE1-CG2 3.36Å; T720-V735 WeakPolarHBondContact O-CG2 3.13Å; T720-V735 PolarHBondContact O-N 3.31Å
721	G	92.7	Very high	89.3	Confident	3 Å²	3	41.1 Å²	41.1	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-169.8	174.4	0	0	0	0	0	113.1	D707 L708 T733	D707-G721 PolarHBondContact N-O 3.1Å; D707-G721 VanDerWaalsContact N-O 3.13Å; L708-G721 PolarHBondContact N-O 2.91Å; L708-G721 PolarHBondContact O-N 3.43Å; G721-T733 CarbonylContact C-O 3.56Å; G721-T733 WeakPolarHBondContact CA-O 3.4Å
722	T	93.5	Very high	89.4	Confident	33 Å²	33	39 Å²	39	20%	0.202	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.5	175.6	-62.8	0	0	0	0	108.6	R704 L705 K706 E724 F732 T733	R704-T722 HydrophobicContact CB-CG2 3.79Å; L705-T722 CarbonylContact O-C 3.5Å; L705-T722 WeakPolarHBondContact O-CA 3.31Å; L705-T722 WeakPolarHBondContact O-CG2 3.35Å; K706-T722 HydrophobicContact CG-CG2 4.16Å; T722-E724 HydrophobicContact CG2-CG 4.13Å; T722-F732 WeakPolarHBondContact O-CA 3.45Å; T722-T733 PolarHBondContact N-O 3.1Å; T722-T733 PolarHBondContact O-N 2.96Å
723	L	94.5	Very high	89.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.5	172.5	-172.9	69.8	0	0	0	108.6	R704 L705 L708 F730 F732 L763 F783 F827	R704-L723 CarbonylContact C-O 3.5Å; R704-L723 VanDerWaalsContact CA-O 3.29Å; R704-L723 WeakPolarHBondContact CA-O 3.39Å; L705-L723 PolarHBondContact N-O 3.17Å; L705-L723 PolarHBondContact O-N 3.05Å; L708-L723 HydrophobicContact CD1-CB 3.39Å; L708-L723 HydrophobicContact CD1-CD2 4.28Å; L708-L723 HydrophobicContact CD1-CG 4.48Å; L723-F730 HydrophobicContact CD1-CB 3.88Å; L723-F730 HydrophobicContact CG-CB 4.47Å; L723-F732 HydrophobicContact CD1-CB 4.04Å; L723-L763 HydrophobicContact CD2-CD1 4.3Å; L723-F783 HydrophobicContact CD1-CD1 4.49Å; L723-F783 HydrophobicContact CD1-CD2 4.14Å; L723-F783 HydrophobicContact CD1-CE1 4.19Å; L723-F783 HydrophobicContact CD1-CE2 3.79Å; L723-F783 HydrophobicContact CD1-CG 4.46Å; L723-F783 HydrophobicContact CD1-CZ 3.82Å; L723-F783 HydrophobicContact CD2-CD2 3.9Å; L723-F783 HydrophobicContact CD2-CE2 4.32Å; L723-F783 HydrophobicContact CD2-CG 4.2Å; L723-F827 HydrophobicContact CB-CZ 4.5Å; L723-F827 HydrophobicContact CD2-CE1 3.78Å; L723-F827 HydrophobicContact CD2-CZ 3.79Å; L723-F827 HydrophobicContact CG-CE1 4.46Å; L723-F827 HydrophobicContact CG-CZ 3.96Å
724	E	92	Very high	89.6	Confident	25 Å²	25	35.9 Å²	35.9	12%	0.117	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.9	176.5	-55.1	-160.5	-163	0	0	110.6	F703 R704 T722 F730 R731	F703-E724 WeakPolarHBondContact O-CA 3.38Å; R704-E724 HydrophobicContact CB-CG 4.28Å; R704-E724 WeakPolarHBondContact CD-OE1 3.42Å; R704-E724 HydrophobicContact CG-CG 3.82Å; R704-E724 IonicContact CZ-OE1 3.73Å; R704-E724 IonicContact CZ-OE2 3.6Å; R704-E724 IonicContact NE-OE1 3.52Å; R704-E724 PolarHBondContact NE-OE1 3.41Å; R704-E724 IonicContact NE-OE2 2.71Å; R704-E724 PolarHBondContact NE-OE2 2.8Å; R704-E724 VanDerWaalsContact NE-OE2 3.1Å; R704-E724 VanDerWaalsContact NH1-CD 3.31Å; R704-E724 IonicContact NH1-OE1 2.67Å; R704-E724 PolarHBondContact NH1-OE1 2.97Å; R704-E724 IonicContact NH1-OE2 3.56Å; R704-E724 PolarHBondContact NH1-OE2 3.06Å; R704-E724 IonicContact NH2-OE1 3.49Å; R704-E724 IonicContact NH2-OE2 3.51Å; R704-E724 PolarHBondContact NH2-OE2 3.31Å; T722-E724 HydrophobicContact CG2-CG 4.13Å; E724-F730 CarbonylContact O-C 3.55Å; E724-F730 VanDerWaalsContact O-CA 3.31Å; E724-F730 WeakPolarHBondContact O-CA 3.38Å; E724-R731 PolarHBondContact N-O 2.9Å; E724-R731 PolarHBondContact O-N 3.16Å
725	A	91.6	Very high	89.9	Confident	2 Å²	2	40 Å²	40	2%	0.017	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.8	173.9	0	0	0	0	0	110.9	F703 F730 F827 L834	F703-A725 PolarHBondContact O-N 2.93Å; A725-F730 HydrophobicContact CB-CD1 3.95Å; A725-F730 HydrophobicContact CB-CE1 3.97Å; A725-F827 HydrophobicContact CB-CE2 4.3Å; A725-F827 HydrophobicContact CB-CZ 4.21Å; A725-L834 HydrophobicContact CB-CD2 4.23Å
726	H	90.4	Very high	90.2	Very high	2 Å²	2	46 Å²	46	1%	0.009	24%	0.236	C	C	.	.			trans	-130.1	176.2	-176.8	-62.7	-63.8	0	0	0	111.4	D697 N728 G729 Y744 L834	D697-H726 PolarHBondContact N-ND1 3.24Å; D697-H726 WeakPolarHBondContact OD2-CA 3.45Å; H726-N728 VanDerWaalsContact C-N 3.34Å; H726-N728 PolarHBondContact O-N 2.71Å; H726-G729 CarbonylContact C-O 3.56Å; H726-G729 WeakPolarHBondContact CA-O 3.48Å; H726-G729 WeakPolarHBondContact CB-O 3.41Å; H726-G729 PolarHBondContact N-O 2.79Å; H726-Y744 WeakPolarHBondContact O-CE2 3.41Å; H726-Y744 VanDerWaalsContact O-CZ 3.27Å; H726-Y744 PolarHBondContact O-OH 3.2Å; H726-L834 WeakPolarHBondContact O-CD2 3.4Å
727	S	86.8	Confident	90.7	Very high	44 Å²	44	42.6 Å²	42.6	31%	0.308	22%	0.22	S	C	.	.	S	Bend	trans	-64.1	-25.2	-171.5	56.1	0	0	0	0	116.4	V695 D697	V695-S727 WeakPolarHBondContact CG1-OG 3.27Å; D697-S727 WeakPolarHBondContact OD2-CB 3.22Å; D697-S727 PolarHBondContact OD2-N 3.17Å; D697-S727 PolarHBondContact OD2-OG 3.35Å
728	N	90.2	Very high	91	Very high	21 Å²	21	37.2 Å²	37.2	11%	0.112	20%	0.199	C	C	.	.	S	Bend	trans	-126.7	6.4	176.9	71.2	-31.3	0	0	0	115	D693 L694 V695 H726 L743 Y744	D693-N728 PolarHBondContact O-ND2 2.87Å; L694-N728 WeakPolarHBondContact CD1-OD1 3.19Å; V695-N728 PolarHBondContact N-OD1 3.41Å; H726-N728 VanDerWaalsContact C-N 3.34Å; H726-N728 PolarHBondContact O-N 2.71Å; N728-L743 WeakPolarHBondContact O-CA 3.33Å; N728-Y744 PolarHBondContact O-N 2.91Å
729	G	92.6	Very high	91.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-170.6	179	0	0	0	0	0	114.4	L694 H726 I742 Y744	L694-G729 VanDerWaalsContact CD1-CA 3.48Å; H726-G729 CarbonylContact C-O 3.56Å; H726-G729 WeakPolarHBondContact CA-O 3.48Å; H726-G729 WeakPolarHBondContact CB-O 3.41Å; H726-G729 PolarHBondContact N-O 2.79Å; G729-I742 CarbonylContact C-O 3.5Å; G729-I742 WeakPolarHBondContact CA-O 3.4Å; G729-Y744 PolarHBondContact O-OH 3.05Å
730	F	94.1	Very high	91.5	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	150.6	172.2	-55.7	-77.5	0	0	0	111.7	L723 E724 A725 D741 I742 Y744 I747 F765 F827 L840 F842	L723-F730 HydrophobicContact CD1-CB 3.88Å; L723-F730 HydrophobicContact CG-CB 4.47Å; E724-F730 CarbonylContact O-C 3.55Å; E724-F730 VanDerWaalsContact O-CA 3.31Å; E724-F730 WeakPolarHBondContact O-CA 3.38Å; A725-F730 HydrophobicContact CB-CD1 3.95Å; A725-F730 HydrophobicContact CB-CE1 3.97Å; F730-D741 WeakPolarHBondContact O-CA 3.07Å; F730-I742 PolarHBondContact N-O 3.31Å; F730-I742 PolarHBondContact O-N 2.98Å; F730-Y744 HydrophobicContact CD1-CE1 4.45Å; F730-Y744 HydrophobicContact CD2-CD1 4.34Å; F730-Y744 AromaticContact CD2-CE1 3.91Å; F730-Y744 HydrophobicContact CD2-CE1 3.91Å; F730-Y744 HydrophobicContact CE1-CE1 4.16Å; F730-Y744 HydrophobicContact CE2-CD1 4Å; F730-Y744 AromaticContact CE2-CE1 3.57Å; F730-Y744 HydrophobicContact CE2-CE1 3.57Å; F730-Y744 HydrophobicContact CG-CE1 4.33Å; F730-Y744 HydrophobicContact CZ-CD1 4.49Å; F730-Y744 AromaticContact CZ-CE1 3.71Å; F730-Y744 HydrophobicContact CZ-CE1 3.71Å; F730-I747 HydrophobicContact CD2-CD1 4.12Å; F730-I747 HydrophobicContact CE2-CD1 3.82Å; F730-F765 HydrophobicContact CD2-CE1 4.1Å; F730-F765 HydrophobicContact CD2-CE2 4.26Å; F730-F765 AromaticContact CD2-CZ 3.75Å; F730-F765 HydrophobicContact CD2-CZ 3.75Å; F730-F765 HydrophobicContact CE2-CD1 4.43Å; F730-F765 AromaticContact CE2-CE1 3.46Å; F730-F765 HydrophobicContact CE2-CE1 3.46Å; F730-F765 VanDerWaalsContact CE2-CE1 3.46Å; F730-F765 HydrophobicContact CE2-CE2 4.31Å; F730-F765 AromaticContact CE2-CZ 3.37Å; F730-F765 HydrophobicContact CE2-CZ 3.37Å; F730-F765 HydrophobicContact CG-CZ 4.49Å; F730-F765 HydrophobicContact CZ-CE1 4.12Å; F730-F765 AromaticContact CZ-CZ 3.85Å; F730-F765 HydrophobicContact CZ-CZ 3.85Å; F730-F827 HydrophobicContact CD1-CE1 4.35Å; F730-F827 HydrophobicContact CD1-CZ 4.03Å; F730-F827 AromaticContact CE1-CE1 3.92Å; F730-F827 HydrophobicContact CE1-CE1 3.92Å; F730-F827 AromaticContact CE1-CZ 3.95Å; F730-F827 HydrophobicContact CE1-CZ 3.95Å; F730-L840 HydrophobicContact CE2-CD2 4.05Å; F730-L840 HydrophobicContact CZ-CD2 4.07Å; F730-F842 HydrophobicContact CE2-CZ 4.43Å; F730-F842 HydrophobicContact CZ-CE2 4.34Å; F730-F842 AromaticContact CZ-CZ 3.87Å; F730-F842 HydrophobicContact CZ-CZ 3.87Å
731	R	93.4	Very high	91.5	Very high	42 Å²	42	36.3 Å²	36.3	16%	0.158	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.1	166	176.3	163.5	-72.4	-178.8	4.4	110.6	L694 E724 D741	L694-R731 HydrophobicContact CD2-CB 3.62Å; E724-R731 PolarHBondContact N-O 2.9Å; E724-R731 PolarHBondContact O-N 3.16Å; R731-D741 WeakPolarHBondContact CB-OD1 3.17Å; R731-D741 VanDerWaalsContact CG-OD1 3.3Å; R731-D741 WeakPolarHBondContact CG-OD1 3.34Å; R731-D741 IonicContact CZ-OD1 2.72Å; R731-D741 IonicContact CZ-OD2 2.73Å; R731-D741 IonicContact NE-OD1 3.34Å; R731-D741 PolarHBondContact NE-OD1 3.36Å; R731-D741 IonicContact NE-OD2 2.67Å; R731-D741 IonicContact NH2-OD1 3.41Å; R731-D741 PolarHBondContact NH2-OD1 2.91Å; R731-D741 IonicContact NH2-OD2 3.07Å; R731-D741 PolarHBondContact NH2-OD2 2.93Å
732	F	94.2	Very high	91.6	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.3	162.6	179.7	-100.7	0	0	0	109.4	L708 I710 T722 L723 Q739 V740 F783	L708-F732 HydrophobicContact CB-CE2 4.24Å; I710-F732 HydrophobicContact CB-CD1 4.45Å; I710-F732 HydrophobicContact CB-CE1 4Å; I710-F732 HydrophobicContact CB-CE2 4.41Å; I710-F732 HydrophobicContact CB-CZ 3.97Å; I710-F732 HydrophobicContact CD1-CD1 4.14Å; I710-F732 HydrophobicContact CD1-CE1 4.43Å; I710-F732 HydrophobicContact CG2-CD1 4.46Å; I710-F732 HydrophobicContact CG2-CE1 3.75Å; I710-F732 HydrophobicContact CG2-CZ 3.97Å; T722-F732 WeakPolarHBondContact O-CA 3.45Å; L723-F732 HydrophobicContact CD1-CB 4.04Å; F732-Q739 CarbonylContact O-C 3.45Å; F732-Q739 VanDerWaalsContact O-CA 3.31Å; F732-Q739 WeakPolarHBondContact O-CA 3.39Å; F732-V740 HydrophobicContact CB-CB 4.41Å; F732-V740 PolarHBondContact N-O 3.11Å; F732-V740 PolarHBondContact O-N 3.08Å; F732-F783 HydrophobicContact CB-CD1 4.48Å; F732-F783 HydrophobicContact CB-CE1 3.5Å; F732-F783 VanDerWaalsContact CB-CE1 3.5Å; F732-F783 HydrophobicContact CB-CZ 3.84Å; F732-F783 HydrophobicContact CD1-CE1 4.27Å; F732-F783 AromaticContact CD2-CD1 3.61Å; F732-F783 HydrophobicContact CD2-CD1 3.61Å; F732-F783 AromaticContact CD2-CE1 3.4Å; F732-F783 HydrophobicContact CD2-CE1 3.4Å; F732-F783 VanDerWaalsContact CD2-CE1 3.4Å; F732-F783 HydrophobicContact CD2-CZ 4.47Å; F732-F783 HydrophobicContact CE2-CD1 4.01Å; F732-F783 HydrophobicContact CE2-CE1 4.13Å; F732-F783 HydrophobicContact CG-CD1 4.17Å; F732-F783 AromaticContact CG-CE1 3.47Å; F732-F783 HydrophobicContact CG-CE1 3.47Å; F732-F783 VanDerWaalsContact CG-CE1 3.47Å; F732-F783 HydrophobicContact CG-CZ 4.32Å
733	T	93.1	Very high	91.6	Very high	36 Å²	36	35.1 Å²	35.1	22%	0.221	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.3	170.4	-56.9	0	0	0	0	109.2	G721 T722 Q739	G721-T733 CarbonylContact C-O 3.56Å; G721-T733 WeakPolarHBondContact CA-O 3.4Å; T722-T733 PolarHBondContact N-O 3.1Å; T722-T733 PolarHBondContact O-N 2.96Å; T733-Q739 HydrophobicContact CG2-CG 4.22Å
734	S	91.8	Very high	91.6	Very high	8 Å²	8	35.3 Å²	35.3	6%	0.056	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	161.2	174.8	68.5	0	0	0	0	112.2	R736 G737 D738	S734-R736 PolarHBondContact O-N 3.13Å; S734-R736 VanDerWaalsContact O-N 3.11Å; S734-R736 PolarHBondContact OG-N 2.83Å; S734-G737 PolarHBondContact O-N 3.11Å; S734-G737 PolarHBondContact OG-N 3.2Å; S734-D738 PolarHBondContact N-O 2.64Å; S734-D738 WeakPolarHBondContact OG-CA 3.44Å; S734-D738 WeakPolarHBondContact OG-CB 3.17Å; S734-D738 PolarHBondContact OG-N 3.07Å; S734-D738 PolarHBondContact OG-O 3.41Å; S734-D738 PolarHBondContact OG-OD2 2.9Å
735	V	89.9	Confident	91.6	Very high	118 Å²	118	37.3 Å²	37.3	72%	0.715	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-19.3	172.2	170.3	0	0	0	0	113	T720	T720-V735 WeakPolarHBondContact O-CG2 3.13Å; T720-V735 PolarHBondContact O-N 3.31Å
736	R	87.3	Confident	91.7	Very high	162 Å²	162	37.4 Å²	37.4	61%	0.611	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-14.6	173.6	-68.4	179.2	72.4	-122.9	3.7	113.9	I719 S734 D738	I719-R736 HydrophobicContact CD1-CG 4.46Å; S734-R736 PolarHBondContact O-N 3.13Å; S734-R736 VanDerWaalsContact O-N 3.11Å; S734-R736 PolarHBondContact OG-N 2.83Å; R736-D738 WeakPolarHBondContact CB-OD2 3.38Å; R736-D738 IonicContact CZ-OD1 3.18Å; R736-D738 IonicContact CZ-OD2 2.85Å; R736-D738 IonicContact NE-OD2 2.87Å; R736-D738 IonicContact NH1-OD1 3.19Å; R736-D738 PolarHBondContact NH1-OD1 3.22Å; R736-D738 IonicContact NH1-OD2 2.67Å; R736-D738 PolarHBondContact NH1-OD2 2.87Å
737	G	87.2	Confident	91.9	Very high	48 Å²	48	37.5 Å²	37.5	50%	0.495	20%	0.202	S	C	.	.	S	Bend	trans	89.2	0.3	-171.1	0	0	0	0	0	114.7	S734 Q739	S734-G737 PolarHBondContact O-N 3.11Å; S734-G737 PolarHBondContact OG-N 3.2Å; G737-Q739 PolarHBondContact O-N 3.34Å
738	D	89.4	Confident	92.2	Very high	48 Å²	48	37.9 Å²	37.9	26%	0.257	20%	0.198	S	C	.	.			trans	-62.2	132.8	166.9	-42.6	-63.7	0	0	0	108.8	V714 S734 R736	V714-D738 HydrophobicContact CG1-CB 4.1Å; S734-D738 PolarHBondContact N-O 2.64Å; S734-D738 WeakPolarHBondContact OG-CA 3.44Å; S734-D738 WeakPolarHBondContact OG-CB 3.17Å; S734-D738 PolarHBondContact OG-N 3.07Å; S734-D738 PolarHBondContact OG-O 3.41Å; S734-D738 PolarHBondContact OG-OD2 2.9Å; R736-D738 WeakPolarHBondContact CB-OD2 3.38Å; R736-D738 IonicContact CZ-OD1 3.18Å; R736-D738 IonicContact CZ-OD2 2.85Å; R736-D738 IonicContact NE-OD2 2.87Å; R736-D738 IonicContact NH1-OD1 3.19Å; R736-D738 PolarHBondContact NH1-OD1 3.22Å; R736-D738 IonicContact NH1-OD2 2.67Å; R736-D738 PolarHBondContact NH1-OD2 2.87Å
739	Q	91.1	Very high	92.4	Very high	109 Å²	109	37.8 Å²	37.8	51%	0.509	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.3	-176.7	-72.4	177.4	-14.8	0	0	111.3	F732 T733 G737	F732-Q739 CarbonylContact O-C 3.45Å; F732-Q739 VanDerWaalsContact O-CA 3.31Å; F732-Q739 WeakPolarHBondContact O-CA 3.39Å; T733-Q739 HydrophobicContact CG2-CG 4.22Å; G737-Q739 PolarHBondContact O-N 3.34Å
740	V	92.6	Very high	92.6	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.036	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	122.7	171.7	-177.3	0	0	0	0	108.3	I710 V714 F732 I771 Y773	I710-V740 HydrophobicContact CD1-CB 4.4Å; I710-V740 HydrophobicContact CD1-CG1 4.48Å; I710-V740 HydrophobicContact CD1-CG2 4.11Å; V714-V740 HydrophobicContact CG2-CG2 3.69Å; F732-V740 HydrophobicContact CB-CB 4.41Å; F732-V740 PolarHBondContact N-O 3.11Å; F732-V740 PolarHBondContact O-N 3.08Å; V740-I771 HydrophobicContact CG1-CD1 4.22Å; V740-Y773 HydrophobicContact CG1-CD1 3.81Å; V740-Y773 HydrophobicContact CG1-CE1 4.08Å; V740-Y773 HydrophobicContact CG1-CG 4.19Å; V740-Y773 HydrophobicContact CG2-CD1 4.49Å; V740-Y773 HydrophobicContact CG2-CD2 4.13Å; V740-Y773 HydrophobicContact CG2-CG 4.04Å
741	D	93.8	Very high	92.6	Very high	52 Å²	52	37.9 Å²	37.9	28%	0.278	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.3	-178.1	-70	-12.5	0	0	0	111	L694 F730 R731 I771	L694-D741 HydrophobicContact CB-CB 4.26Å; L694-D741 WeakPolarHBondContact CB-OD2 3.49Å; L694-D741 HydrophobicContact CD2-CB 4.18Å; F730-D741 WeakPolarHBondContact O-CA 3.07Å; R731-D741 WeakPolarHBondContact CB-OD1 3.17Å; R731-D741 VanDerWaalsContact CG-OD1 3.3Å; R731-D741 WeakPolarHBondContact CG-OD1 3.34Å; R731-D741 IonicContact CZ-OD1 2.72Å; R731-D741 IonicContact CZ-OD2 2.73Å; R731-D741 IonicContact NE-OD1 3.34Å; R731-D741 PolarHBondContact NE-OD1 3.36Å; R731-D741 IonicContact NE-OD2 2.67Å; R731-D741 IonicContact NH2-OD1 3.41Å; R731-D741 PolarHBondContact NH2-OD1 2.91Å; R731-D741 IonicContact NH2-OD2 3.07Å; R731-D741 PolarHBondContact NH2-OD2 2.93Å; D741-I771 WeakPolarHBondContact O-CD1 3.42Å
742	I	94.4	Very high	92.7	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	107.3	-178.4	-56	174.3	0	0	0	108.5	G729 F730 I747 F765 L767 I771 I781 F783	G729-I742 CarbonylContact C-O 3.5Å; G729-I742 WeakPolarHBondContact CA-O 3.4Å; F730-I742 PolarHBondContact N-O 3.31Å; F730-I742 PolarHBondContact O-N 2.98Å; I742-I747 HydrophobicContact CG2-CD1 4.03Å; I742-I747 HydrophobicContact CG2-CG1 3.79Å; I742-F765 HydrophobicContact CD1-CD2 4.16Å; I742-L767 HydrophobicContact CG2-CD2 3.8Å; I742-I771 HydrophobicContact CG1-CD1 4.39Å; I742-I781 HydrophobicContact CD1-CB 4.18Å; I742-I781 HydrophobicContact CD1-CD1 3.8Å; I742-I781 HydrophobicContact CD1-CG2 3.98Å; I742-I781 HydrophobicContact CG1-CD1 4.04Å; I742-F783 HydrophobicContact CD1-CE2 3.66Å; I742-F783 HydrophobicContact CD1-CZ 3.81Å
743	L	93.9	Very high	92.6	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	143.8	-179.8	-55.6	177.4	0	0	0	112.2	Q691 D692 L694 N728 N745 N746 I747	Q691-L743 HydrophobicContact CB-CD1 3.99Å; D692-L743 HydrophobicContact CB-CD1 3.79Å; D692-L743 WeakPolarHBondContact O-CD1 3.23Å; L694-L743 HydrophobicContact CB-CD2 4.41Å; L694-L743 HydrophobicContact CD1-CD2 3.87Å; N728-L743 WeakPolarHBondContact O-CA 3.33Å; L743-N745 VanDerWaalsContact C-N 3.3Å; L743-N745 WeakPolarHBondContact CB-OD1 3.43Å; L743-N745 PolarHBondContact O-N 2.9Å; L743-N746 PolarHBondContact O-N 3.25Å; L743-I747 PolarHBondContact O-N 3.25Å
744	Y	93.5	Very high	92.6	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.016	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-33.9	178.1	-59.4	-41.5	0	0	0	113	H726 N728 G729 F730 N746 I747 A835 Y838 L840	H726-Y744 WeakPolarHBondContact O-CE2 3.41Å; H726-Y744 VanDerWaalsContact O-CZ 3.27Å; H726-Y744 PolarHBondContact O-OH 3.2Å; N728-Y744 PolarHBondContact O-N 2.91Å; G729-Y744 PolarHBondContact O-OH 3.05Å; F730-Y744 HydrophobicContact CD1-CE1 4.45Å; F730-Y744 HydrophobicContact CD2-CD1 4.34Å; F730-Y744 AromaticContact CD2-CE1 3.91Å; F730-Y744 HydrophobicContact CD2-CE1 3.91Å; F730-Y744 HydrophobicContact CE1-CE1 4.16Å; F730-Y744 HydrophobicContact CE2-CD1 4Å; F730-Y744 AromaticContact CE2-CE1 3.57Å; F730-Y744 HydrophobicContact CE2-CE1 3.57Å; F730-Y744 HydrophobicContact CG-CE1 4.33Å; F730-Y744 HydrophobicContact CZ-CD1 4.49Å; F730-Y744 AromaticContact CZ-CE1 3.71Å; F730-Y744 HydrophobicContact CZ-CE1 3.71Å; Y744-N746 VanDerWaalsContact C-N 3.28Å; Y744-N746 PolarHBondContact O-N 2.85Å; Y744-I747 HydrophobicContact CD1-CD1 4.31Å; Y744-I747 PolarHBondContact O-N 2.99Å; Y744-A835 HydrophobicContact CD1-CB 4.01Å; Y744-A835 HydrophobicContact CD2-CB 3.86Å; Y744-A835 HydrophobicContact CE1-CB 3.94Å; Y744-A835 HydrophobicContact CE2-CB 3.8Å; Y744-A835 HydrophobicContact CG-CB 3.98Å; Y744-Y838 AromaticContact CD2-CD2 3.6Å; Y744-Y838 HydrophobicContact CD2-CD2 3.6Å; Y744-Y838 AromaticContact CD2-CE2 3.78Å; Y744-Y838 HydrophobicContact CD2-CE2 3.78Å; Y744-Y838 HydrophobicContact CD2-CG 4.32Å; Y744-Y838 HydrophobicContact CG-CD2 4.18Å; Y744-Y838 HydrophobicContact CG-CG 4.47Å; Y744-L840 HydrophobicContact CD1-CD2 3.76Å; Y744-L840 HydrophobicContact CE1-CD2 4.02Å
745	N	92.2	Very high	92.4	Very high	67 Å²	67	36 Å²	36	36%	0.358	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-31.1	178.1	61.1	-4.4	0	0	0	112.8	D692 L743 K768 Y838	D692-N745 PolarHBondContact OD2-ND2 2.95Å; L743-N745 VanDerWaalsContact C-N 3.3Å; L743-N745 WeakPolarHBondContact CB-OD1 3.43Å; L743-N745 PolarHBondContact O-N 2.9Å; N745-K768 PolarHBondContact O-NZ 3.22Å; N745-Y838 HydrophobicContact CB-CD1 4.48Å
746	N	93.9	Very high	92	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-12.3	-178.1	-167	39.8	0	0	0	113.8	Q691 L743 Y744 K748 L767 K768 N769	Q691-N746 VanDerWaalsContact OE1-CB 3.3Å; Q691-N746 VanDerWaalsContact OE1-CG 3.23Å; Q691-N746 PolarHBondContact OE1-ND2 3.14Å; L743-N746 PolarHBondContact O-N 3.25Å; Y744-N746 VanDerWaalsContact C-N 3.28Å; Y744-N746 PolarHBondContact O-N 2.85Å; N746-K748 PolarHBondContact O-N 2.87Å; N746-L767 CarbonylContact O-C 3.59Å; N746-L767 VanDerWaalsContact O-CA 3.32Å; N746-L767 WeakPolarHBondContact O-CA 3.24Å; N746-K768 PolarHBondContact O-N 3.45Å; N746-N769 PolarHBondContact ND2-O 3.23Å; N746-N769 VanDerWaalsContact OD1-CB 3.31Å; N746-N769 WeakPolarHBondContact OD1-CB 3.5Å; N746-N769 PolarHBondContact OD1-N 2.74Å; N746-N769 PolarHBondContact OD1-ND2 2.84Å
747	I	94.3	Very high	91.7	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.8	168.5	-63.3	167	0	0	0	108.4	F730 I742 L743 Y744 H749 A750 F765 L767 K768 L840	F730-I747 HydrophobicContact CD2-CD1 4.12Å; F730-I747 HydrophobicContact CE2-CD1 3.82Å; I742-I747 HydrophobicContact CG2-CD1 4.03Å; I742-I747 HydrophobicContact CG2-CG1 3.79Å; L743-I747 PolarHBondContact O-N 3.25Å; Y744-I747 HydrophobicContact CD1-CD1 4.31Å; Y744-I747 PolarHBondContact O-N 2.99Å; I747-H749 WeakPolarHBondContact CG2-O 3.39Å; I747-A750 HydrophobicContact CG2-CB 4.28Å; I747-F765 HydrophobicContact CD1-CD1 3.67Å; I747-F765 HydrophobicContact CD1-CE1 3.93Å; I747-F765 HydrophobicContact CD1-CG 4.44Å; I747-F765 HydrophobicContact CG1-CD1 4.16Å; I747-F765 HydrophobicContact CG2-CD1 4.25Å; I747-L767 HydrophobicContact CB-CD2 4.48Å; I747-L767 HydrophobicContact CG1-CD2 3.92Å; I747-K768 PolarHBondContact O-NZ 2.86Å; I747-L840 HydrophobicContact CB-CD1 4.22Å; I747-L840 HydrophobicContact CD1-CD1 4.01Å; I747-L840 HydrophobicContact CD1-CD2 4.36Å; I747-L840 HydrophobicContact CG2-CD1 3.74Å
748	K	93.4	Very high	91.6	Very high	52 Å²	52	29 Å²	29	23%	0.226	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-54	171	-174.9	174.4	156.4	-161.6	0	109.5	N746 H766 K768 T881 E884	N746-K748 PolarHBondContact O-N 2.87Å; K748-H766 WeakPolarHBondContact CA-O 3.34Å; K748-H766 WeakPolarHBondContact CB-O 3.23Å; K748-H766 PolarHBondContact N-O 3Å; K748-K768 HydrophobicContact CB-CG 3.65Å; K748-K768 HydrophobicContact CG-CG 4.24Å; K748-T881 WeakPolarHBondContact CE-OG1 3.29Å; K748-T881 PolarHBondContact NZ-OG1 2.99Å; K748-E884 WeakPolarHBondContact CE-OE1 3.46Å; K748-E884 IonicContact NZ-OE1 2.75Å; K748-E884 PolarHBondContact NZ-OE1 2.82Å; K748-E884 IonicContact NZ-OE2 3.18Å; K748-E884 PolarHBondContact NZ-OE2 2.82Å
749	H	94.8	Very high	91.3	Very high	18 Å²	18	31.3 Å²	31.3	8%	0.083	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143	176.2	-61.5	-38.2	0	0	0	110.8	I747 F751 H766 S867 T881	I747-H749 WeakPolarHBondContact CG2-O 3.39Å; H749-F751 HydrophobicContact CB-CE1 4.02Å; H749-F751 HydrophobicContact CB-CE2 3.7Å; H749-F751 HydrophobicContact CB-CZ 3.38Å; H749-F751 AromaticContact CD2-CZ 3.85Å; H749-F751 AromaticContact CG-CZ 3.89Å; H749-H766 HydrophobicContact CB-CB 4.27Å; H749-H766 PolarHBondContact N-O 2.91Å; H749-H766 VanDerWaalsContact N-O 3.09Å; H749-H766 PolarHBondContact O-N 2.85Å; H749-S867 PolarHBondContact CE1-OG 2.84Å; H749-S867 PolarHBondContact NE2-OG 3.14Å; H749-T881 WeakPolarHBondContact NE2-CG2 3.31Å; H749-T881 PolarHBondContact NE2-OG1 3.37Å; H749-T881 VanDerWaalsContact NE2-OG1 3.07Å
750	A	95.6	Very high	91.3	Very high	3 Å²	3	26.9 Å²	26.9	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.5	168.9	0	0	0	0	0	109.5	I747 H764 F765 L840 F842 E843	I747-A750 HydrophobicContact CG2-CB 4.28Å; A750-H764 CarbonylContact C-O 3.31Å; A750-H764 WeakPolarHBondContact CA-O 3.49Å; A750-F765 HydrophobicContact CB-CD1 3.81Å; A750-F765 HydrophobicContact CB-CE1 3.84Å; A750-L840 HydrophobicContact CB-CD1 3.84Å; A750-F842 HydrophobicContact CB-CD1 3.85Å; A750-F842 HydrophobicContact CB-CE1 3.91Å; A750-F842 HydrophobicContact CB-CG 4.18Å; A750-F842 HydrophobicContact CB-CZ 4.29Å; A750-F842 CarbonylContact O-C 3.55Å; A750-F842 WeakPolarHBondContact O-CA 3.41Å; A750-E843 PolarHBondContact O-N 2.83Å
751	F	95.5	Very high	91.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133	179.8	-51.1	-68.3	0	0	0	110.6	H749 L763 H764 H766 E843 T865 A868 I870 V879	H749-F751 HydrophobicContact CB-CE1 4.02Å; H749-F751 HydrophobicContact CB-CE2 3.7Å; H749-F751 HydrophobicContact CB-CZ 3.38Å; H749-F751 AromaticContact CD2-CZ 3.85Å; H749-F751 AromaticContact CG-CZ 3.89Å; F751-L763 WeakPolarHBondContact O-CA 3.41Å; F751-H764 HydrophobicContact CB-CB 4.26Å; F751-H764 HydrophobicContact CD2-CB 4.25Å; F751-H764 AromaticContact CD2-CD2 3.88Å; F751-H764 PolarHBondContact N-O 2.79Å; F751-H764 PolarHBondContact O-N 2.7Å; F751-H766 HydrophobicContact CE2-CB 4.5Å; F751-E843 CarbonylContact C-O 3.5Å; F751-E843 VanDerWaalsContact CA-O 3.31Å; F751-E843 WeakPolarHBondContact CA-O 3.49Å; F751-E843 HydrophobicContact CD1-CB 3.86Å; F751-E843 HydrophobicContact CE1-CB 4.23Å; F751-T865 HydrophobicContact CD1-CG2 3.87Å; F751-T865 HydrophobicContact CE1-CG2 3.9Å; F751-A868 HydrophobicContact CE1-CB 4.05Å; F751-A868 HydrophobicContact CZ-CB 3.79Å; F751-I870 HydrophobicContact CB-CD1 4.08Å; F751-I870 HydrophobicContact CD1-CD1 3.95Å; F751-I870 HydrophobicContact CD1-CG2 4.36Å; F751-I870 HydrophobicContact CD2-CD1 4.22Å; F751-I870 HydrophobicContact CD2-CG2 4.28Å; F751-I870 HydrophobicContact CE1-CD1 4.47Å; F751-I870 HydrophobicContact CE1-CG2 3.86Å; F751-I870 HydrophobicContact CE2-CG2 3.77Å; F751-I870 HydrophobicContact CG-CD1 3.81Å; F751-I870 HydrophobicContact CZ-CG2 3.53Å; F751-V879 HydrophobicContact CE2-CG1 3.85Å; F751-V879 HydrophobicContact CE2-CG2 4.06Å; F751-V879 HydrophobicContact CZ-CG1 4.03Å
752	Y	94.8	Very high	91.4	Very high	19 Å²	19	24.2 Å²	24.2	8%	0.075	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.3	167.5	166.6	-118.4	0	0	0	109	P754 I761 L763 F824 V828 E843 P845	Y752-P754 HydrophobicContact CE1-CB 4.45Å; Y752-I761 HydrophobicContact CE2-CD1 4Å; Y752-I761 HydrophobicContact CE2-CG1 4.08Å; Y752-L763 HydrophobicContact CD2-CD2 3.75Å; Y752-L763 HydrophobicContact CG-CD2 4.32Å; Y752-F824 HydrophobicContact CE2-CB 3.77Å; Y752-F824 HydrophobicContact CE2-CD1 4.21Å; Y752-F824 HydrophobicContact CE2-CG 4.42Å; Y752-V828 HydrophobicContact CD2-CG2 4.26Å; Y752-V828 HydrophobicContact CG-CG2 4.11Å; Y752-E843 PolarHBondContact N-O 2.92Å; Y752-P845 WeakPolarHBondContact O-CD 3.5Å
753	Q	93.1	Very high	91.5	Very high	4 Å²	4	24 Å²	24	2%	0.019	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.5	174.2	-175.2	175.7	-16.5	0	0	110.2	L762 P845	Q753-L762 HydrophobicContact CB-CD1 3.93Å; Q753-L762 HydrophobicContact CB-CD2 4.35Å; Q753-L762 HydrophobicContact CB-CG 3.94Å; Q753-L762 PolarHBondContact N-O 2.92Å; Q753-L762 VanDerWaalsContact N-O 3.14Å; Q753-L762 PolarHBondContact O-N 3.39Å; Q753-L762 VanDerWaalsContact O-N 3.16Å; Q753-P845 HydrophobicContact CB-CG 4.13Å; Q753-P845 HydrophobicContact CG-CG 3.96Å
754	P	91.7	Very high	91.6	Very high	24 Å²	24	23.8 Å²	23.8	16%	0.156	14%	0.136	C	C	.	.			trans	-75.9	157.8	177.2	33.5	-36.5	0	0	0	111.7	Y752 D756	Y752-P754 HydrophobicContact CE1-CB 4.45Å; P754-D756 WeakPolarHBondContact CB-OD2 3.4Å; P754-D756 HydrophobicContact CG-CB 4.34Å; P754-D756 PolarHBondContact O-N 2.94Å
755	C	87.7	Confident	91.7	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.014	14%	0.135	C	C	.	.	S	Bend	trans	-76	52.6	174	53.7	0	0	0	0	112.9	I760 I761 V787 R817 K821	C755-I760 WeakPolarHBondContact CA-O 3.18Å; C755-I760 WeakPolarHBondContact CB-O 3.35Å; C755-I761 HydrophobicContact CB-CB 4.13Å; C755-V787 HydrophobicContact CB-CB 4.21Å; C755-V787 HydrophobicContact CB-CG2 4.19Å; C755-R817 PolarHBondContact O-NH1 3.04Å; C755-K821 WeakPolarHBondContact SG-CE 3.48Å
756	D	82.9	Confident	91.9	Very high	83 Å²	83	21.5 Å²	21.5	44%	0.444	12%	0.123	S	C	.	.	S	Bend	trans	-100.9	90.7	177.9	-79	-60.3	0	0	0	110	P754 E758 K821	P754-D756 WeakPolarHBondContact CB-OD2 3.4Å; P754-D756 HydrophobicContact CG-CB 4.34Å; P754-D756 PolarHBondContact O-N 2.94Å; D756-E758 VanDerWaalsContact C-N 3.31Å; D756-K821 IonicContact OD1-NZ 2.67Å; D756-K821 PolarHBondContact OD1-NZ 2.82Å; D756-K821 WeakPolarHBondContact OD2-CE 3.29Å; D756-K821 IonicContact OD2-NZ 3.83Å; D756-K821 PolarHBondContact OD2-NZ 3.29Å
757	G	79.4	Confident	91.9	Very high	65 Å²	65	21.4 Å²	21.4	67%	0.67	12%	0.123	S	C	*	.	S	Bend	trans	92.3	-18	-169.2	0	0	0	0	0	113.8
758	E	84.8	Confident	91.8	Very high	33 Å²	33	27 Å²	27	15%	0.154	15%	0.147	C	C	.	.	S	Bend	trans	-99.5	153.9	179.6	-52.5	-49.8	146.5	0	0	113.3	D756 I760 R817 R847 V873	D756-E758 VanDerWaalsContact C-N 3.31Å; E758-I760 VanDerWaalsContact C-N 3.31Å; E758-R817 PolarHBondContact O-NH1 3.48Å; E758-R847 IonicContact OE1-CZ 2.63Å; E758-R847 IonicContact OE1-NH1 2.8Å; E758-R847 PolarHBondContact OE1-NH1 3.13Å; E758-R847 IonicContact OE1-NH2 3.03Å; E758-R847 PolarHBondContact OE1-NH2 2.71Å; E758-V873 HydrophobicContact CG-CG2 4.07Å
759	M	84.7	Confident	91.7	Very high	97 Å²	97	27.2 Å²	27.2	48%	0.478	15%	0.151	S	C	.	.	S	Bend	trans	-85.7	-0	173.3	-65.2	-59	-65.9	0	0	113.6	V787 R817	M759-V787 PolarHBondContact O-N 3.29Å; M759-R817 PolarHBondContact SD-NH2 2.84Å
760	I	91.1	Very high	91.5	Very high	16 Å²	16	27.4 Å²	27.4	8%	0.082	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.3	175.9	59.4	173.4	0	0	0	110.7	C755 E758 L762 Y784 T785 E786 V873	C755-I760 WeakPolarHBondContact CA-O 3.18Å; C755-I760 WeakPolarHBondContact CB-O 3.35Å; E758-I760 VanDerWaalsContact C-N 3.31Å; I760-L762 HydrophobicContact CD1-CD2 3.73Å; I760-L762 HydrophobicContact CG1-CD2 4.17Å; I760-Y784 HydrophobicContact CB-CD2 4.34Å; I760-Y784 HydrophobicContact CG2-CD2 3.88Å; I760-Y784 HydrophobicContact CG2-CE2 4.41Å; I760-T785 WeakPolarHBondContact CA-O 3.04Å; I760-E786 HydrophobicContact CG2-CG 4.04Å; I760-V873 HydrophobicContact CD1-CG1 4.18Å; I760-V873 HydrophobicContact CG1-CG1 4.37Å
761	I	93.6	Very high	91.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.3	161.6	-169.8	165.8	0	0	0	107.8	Y752 C755 Y784 T785 V787 I820 K821 F824	Y752-I761 HydrophobicContact CE2-CD1 4Å; Y752-I761 HydrophobicContact CE2-CG1 4.08Å; C755-I761 HydrophobicContact CB-CB 4.13Å; I761-Y784 WeakPolarHBondContact O-CA 3.37Å; I761-Y784 WeakPolarHBondContact O-CB 3.46Å; I761-T785 PolarHBondContact N-O 3.48Å; I761-T785 PolarHBondContact O-N 3.02Å; I761-V787 HydrophobicContact CB-CG2 4.15Å; I761-V787 HydrophobicContact CG2-CG2 3.74Å; I761-I820 HydrophobicContact CB-CG2 4.47Å; I761-I820 HydrophobicContact CD1-CG2 4.08Å; I761-I820 HydrophobicContact CG2-CG2 3.54Å; I761-K821 HydrophobicContact CD1-CB 4.46Å; I761-K821 HydrophobicContact CD1-CG 3.93Å; I761-F824 HydrophobicContact CB-CE1 4.5Å; I761-F824 HydrophobicContact CD1-CB 3.8Å; I761-F824 HydrophobicContact CD1-CD1 4.05Å; I761-F824 HydrophobicContact CD1-CD2 3.98Å; I761-F824 HydrophobicContact CD1-CG 3.68Å; I761-F824 HydrophobicContact CG1-CB 4.48Å; I761-F824 HydrophobicContact CG1-CD1 3.82Å; I761-F824 HydrophobicContact CG1-CD2 4.38Å; I761-F824 HydrophobicContact CG1-CE1 4.08Å; I761-F824 HydrophobicContact CG1-CG 3.98Å; I761-F824 HydrophobicContact CG1-CZ 4.46Å; I761-F824 HydrophobicContact CG2-CD1 4.38Å; I761-F824 HydrophobicContact CG2-CD2 4.05Å; I761-F824 HydrophobicContact CG2-CE1 3.94Å; I761-F824 HydrophobicContact CG2-CE2 3.57Å; I761-F824 HydrophobicContact CG2-CG 4.43Å; I761-F824 HydrophobicContact CG2-CZ 3.5Å
762	L	94.5	Very high	90.7	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	153.7	-172.4	65.6	93.7	0	0	0	114.5	Q753 I760 H764 Q782 F783 V872	Q753-L762 HydrophobicContact CB-CD1 3.93Å; Q753-L762 HydrophobicContact CB-CD2 4.35Å; Q753-L762 HydrophobicContact CB-CG 3.94Å; Q753-L762 PolarHBondContact N-O 2.92Å; Q753-L762 VanDerWaalsContact N-O 3.14Å; Q753-L762 PolarHBondContact O-N 3.39Å; Q753-L762 VanDerWaalsContact O-N 3.16Å; I760-L762 HydrophobicContact CD1-CD2 3.73Å; I760-L762 HydrophobicContact CG1-CD2 4.17Å; L762-H764 HydrophobicContact CD1-CB 3.99Å; L762-Q782 HydrophobicContact CB-CG 4.17Å; L762-F783 CarbonylContact C-O 3.58Å; L762-F783 VanDerWaalsContact CA-O 3.28Å; L762-F783 WeakPolarHBondContact CA-O 3.43Å; L762-V872 HydrophobicContact CD1-CB 4.45Å; L762-V872 HydrophobicContact CD1-CG2 3.71Å; L762-V872 HydrophobicContact CD2-CG2 4.27Å
763	L	95.7	Very high	90.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.1	163.2	-59.5	173.4	0	0	0	107.1	L705 L723 F751 Y752 F765 Q782 F783 F824 F827 V828 F842	L705-L763 HydrophobicContact CD2-CD1 3.98Å; L723-L763 HydrophobicContact CD2-CD1 4.3Å; F751-L763 WeakPolarHBondContact O-CA 3.41Å; Y752-L763 HydrophobicContact CD2-CD2 3.75Å; Y752-L763 HydrophobicContact CG-CD2 4.32Å; L763-F765 HydrophobicContact CB-CE2 4.46Å; L763-Q782 WeakPolarHBondContact O-CA 3.31Å; L763-F783 PolarHBondContact N-O 2.98Å; L763-F783 PolarHBondContact O-N 2.77Å; L763-F824 HydrophobicContact CD1-CD1 4.34Å; L763-F824 HydrophobicContact CD1-CE1 4.48Å; L763-F824 HydrophobicContact CD2-CD1 4.24Å; L763-F824 HydrophobicContact CG-CD1 3.94Å; L763-F824 HydrophobicContact CG-CE1 4.06Å; L763-F827 HydrophobicContact CD1-CD1 3.77Å; L763-F827 HydrophobicContact CD1-CE1 3.91Å; L763-V828 HydrophobicContact CD2-CG2 3.61Å; L763-F842 HydrophobicContact CD2-CD1 4.01Å; L763-F842 HydrophobicContact CD2-CE1 3.88Å
764	H	96	Very high	89.7	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132	178.7	-170.9	97.9	0	0	0	110.2	A750 F751 L762 D780 V872	A750-H764 CarbonylContact C-O 3.31Å; A750-H764 WeakPolarHBondContact CA-O 3.49Å; F751-H764 HydrophobicContact CB-CB 4.26Å; F751-H764 HydrophobicContact CD2-CB 4.25Å; F751-H764 AromaticContact CD2-CD2 3.88Å; F751-H764 PolarHBondContact N-O 2.79Å; F751-H764 PolarHBondContact O-N 2.7Å; L762-H764 HydrophobicContact CD1-CB 3.99Å; H764-D780 IonicContact CD2-OD1 3.35Å; H764-D780 IonicContact CE1-OD1 2.83Å; H764-D780 IonicContact NE2-OD1 2.61Å; H764-D780 PolarHBondContact NE2-OD1 2.8Å; H764-V872 HydrophobicContact CB-CG1 4.35Å
765	F	96.1	Very high	88.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113.5	175.4	-61.2	-69.5	0	0	0	109.1	F730 I742 I747 A750 L763 L767 I781 F783 F842	F730-F765 HydrophobicContact CD2-CE1 4.1Å; F730-F765 HydrophobicContact CD2-CE2 4.26Å; F730-F765 AromaticContact CD2-CZ 3.75Å; F730-F765 HydrophobicContact CD2-CZ 3.75Å; F730-F765 HydrophobicContact CE2-CD1 4.43Å; F730-F765 AromaticContact CE2-CE1 3.46Å; F730-F765 HydrophobicContact CE2-CE1 3.46Å; F730-F765 VanDerWaalsContact CE2-CE1 3.46Å; F730-F765 HydrophobicContact CE2-CE2 4.31Å; F730-F765 AromaticContact CE2-CZ 3.37Å; F730-F765 HydrophobicContact CE2-CZ 3.37Å; F730-F765 HydrophobicContact CG-CZ 4.49Å; F730-F765 HydrophobicContact CZ-CE1 4.12Å; F730-F765 AromaticContact CZ-CZ 3.85Å; F730-F765 HydrophobicContact CZ-CZ 3.85Å; I742-F765 HydrophobicContact CD1-CD2 4.16Å; I747-F765 HydrophobicContact CD1-CD1 3.67Å; I747-F765 HydrophobicContact CD1-CE1 3.93Å; I747-F765 HydrophobicContact CD1-CG 4.44Å; I747-F765 HydrophobicContact CG1-CD1 4.16Å; I747-F765 HydrophobicContact CG2-CD1 4.25Å; A750-F765 HydrophobicContact CB-CD1 3.81Å; A750-F765 HydrophobicContact CB-CE1 3.84Å; L763-F765 HydrophobicContact CB-CE2 4.46Å; F765-L767 HydrophobicContact CB-CD2 4.39Å; F765-I781 PolarHBondContact N-O 3.33Å; F765-I781 PolarHBondContact O-N 3.15Å; F765-F783 AromaticContact CD2-CD2 3.94Å; F765-F783 HydrophobicContact CD2-CD2 3.94Å; F765-F783 AromaticContact CD2-CE2 3.78Å; F765-F783 HydrophobicContact CD2-CE2 3.78Å; F765-F783 AromaticContact CE2-CD2 3.73Å; F765-F783 HydrophobicContact CE2-CD2 3.73Å; F765-F783 AromaticContact CE2-CE2 3.78Å; F765-F783 HydrophobicContact CE2-CE2 3.78Å; F765-F842 AromaticContact CE1-CE1 3.63Å; F765-F842 HydrophobicContact CE1-CE1 3.63Å; F765-F842 AromaticContact CE1-CZ 3.63Å; F765-F842 HydrophobicContact CE1-CZ 3.63Å; F765-F842 AromaticContact CZ-CE1 3.79Å; F765-F842 HydrophobicContact CZ-CE1 3.79Å; F765-F842 AromaticContact CZ-CZ 3.78Å; F765-F842 HydrophobicContact CZ-CZ 3.78Å
766	H	95.6	Very high	88.6	Confident	23 Å²	23	45.8 Å²	45.8	11%	0.106	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.1	169.6	-178.2	76.9	0	0	0	107.8	K748 H749 F751 D780 V879	K748-H766 WeakPolarHBondContact CA-O 3.34Å; K748-H766 WeakPolarHBondContact CB-O 3.23Å; K748-H766 PolarHBondContact N-O 3Å; H749-H766 HydrophobicContact CB-CB 4.27Å; H749-H766 PolarHBondContact N-O 2.91Å; H749-H766 VanDerWaalsContact N-O 3.09Å; H749-H766 PolarHBondContact O-N 2.85Å; F751-H766 HydrophobicContact CE2-CB 4.5Å; H766-D780 IonicContact CE1-OD1 2.71Å; H766-D780 IonicContact CE1-OD2 3.67Å; H766-D780 IonicContact CG-OD1 3.16Å; H766-D780 IonicContact ND1-OD1 2.74Å; H766-D780 PolarHBondContact ND1-OD1 2.69Å; H766-D780 IonicContact ND1-OD2 2.65Å; H766-D780 PolarHBondContact ND1-OD2 3.47Å; H766-V879 HydrophobicContact CB-CG1 4.23Å
767	L	94.3	Very high	88.8	Confident	3 Å²	3	44 Å²	44	2%	0.016	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	153.2	-171.3	-56.1	-178.1	0	0	0	112.7	I742 N746 I747 F765 N769 I771 T779 I781	I742-L767 HydrophobicContact CG2-CD2 3.8Å; N746-L767 CarbonylContact O-C 3.59Å; N746-L767 VanDerWaalsContact O-CA 3.32Å; N746-L767 WeakPolarHBondContact O-CA 3.24Å; I747-L767 HydrophobicContact CB-CD2 4.48Å; I747-L767 HydrophobicContact CG1-CD2 3.92Å; F765-L767 HydrophobicContact CB-CD2 4.39Å; L767-N769 WeakPolarHBondContact CB-O 3.36Å; L767-I771 HydrophobicContact CD1-CD1 4.27Å; L767-I771 HydrophobicContact CD1-CG1 3.93Å; L767-I771 HydrophobicContact CD1-CG2 4.07Å; L767-T779 VanDerWaalsContact CB-O 3.31Å; L767-T779 WeakPolarHBondContact CB-O 3.36Å; L767-T779 VanDerWaalsContact CG-O 3.27Å; L767-T779 WeakPolarHBondContact CG-O 3.49Å; L767-T779 PolarHBondContact N-O 2.57Å; L767-T779 VanDerWaalsContact O-CG2 3.22Å; L767-T779 WeakPolarHBondContact O-CG2 3.37Å; L767-I781 HydrophobicContact CD1-CD1 3.83Å; L767-I781 HydrophobicContact CD1-CG1 4.45Å
768	K	91.8	Very high	89.3	Confident	121 Å²	121	42.3 Å²	42.3	53%	0.526	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-43.2	171.2	-60	-178.1	177.6	102.8	0	110.8	N745 N746 I747 K748	N745-K768 PolarHBondContact O-NZ 3.22Å; N746-K768 PolarHBondContact O-N 3.45Å; I747-K768 PolarHBondContact O-NZ 2.86Å; K748-K768 HydrophobicContact CB-CG 3.65Å; K748-K768 HydrophobicContact CG-CG 4.24Å
769	N	91.3	Very high	89.7	Confident	58 Å²	58	43.2 Å²	43.2	31%	0.31	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.3	175.4	-51.6	-87	0	0	0	109.3	V689 N746 L767 I771	V689-N769 HydrophobicContact CB-CB 4.17Å; V689-N769 HydrophobicContact CG2-CB 4.43Å; V689-N769 WeakPolarHBondContact CG2-OD1 3.4Å; N746-N769 PolarHBondContact ND2-O 3.23Å; N746-N769 VanDerWaalsContact OD1-CB 3.31Å; N746-N769 WeakPolarHBondContact OD1-CB 3.5Å; N746-N769 PolarHBondContact OD1-N 2.74Å; N746-N769 PolarHBondContact OD1-ND2 2.84Å; L767-N769 WeakPolarHBondContact CB-O 3.36Å; N769-I771 PolarHBondContact O-N 2.94Å
770	A	90.1	Very high	90.2	Very high	22 Å²	22	40.5 Å²	40.5	18%	0.182	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	130.2	175	0	0	0	0	0	111	L688 K777 H778 T779	L688-A770 WeakPolarHBondContact CD1-O 3.43Å; A770-K777 HydrophobicContact CB-CB 4.09Å; A770-H778 WeakPolarHBondContact CA-O 3.37Å; A770-T779 WeakPolarHBondContact CB-OG1 3.48Å
771	I	90.3	Very high	90.4	Very high	22 Å²	22	39.8 Å²	39.8	11%	0.113	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	160.3	174.7	65.7	170.7	0	0	0	110.8	Q691 V740 D741 I742 L767 N769 Y773 K777 H778 I781	Q691-I771 HydrophobicContact CG-CG2 4.18Å; V740-I771 HydrophobicContact CG1-CD1 4.22Å; D741-I771 WeakPolarHBondContact O-CD1 3.42Å; I742-I771 HydrophobicContact CG1-CD1 4.39Å; L767-I771 HydrophobicContact CD1-CD1 4.27Å; L767-I771 HydrophobicContact CD1-CG1 3.93Å; L767-I771 HydrophobicContact CD1-CG2 4.07Å; N769-I771 PolarHBondContact O-N 2.94Å; I771-Y773 HydrophobicContact CD1-CD1 4.21Å; I771-Y773 HydrophobicContact CD1-CE1 4.44Å; I771-Y773 HydrophobicContact CG1-CD1 4.15Å; I771-Y773 HydrophobicContact CG1-CE1 4.33Å; I771-K777 WeakPolarHBondContact O-CA 3.48Å; I771-H778 PolarHBondContact N-O 3.01Å; I771-H778 PolarHBondContact O-N 3.41Å; I771-I781 HydrophobicContact CD1-CD1 3.55Å; I771-I781 HydrophobicContact CG1-CD1 3.81Å
772	M	85.6	Confident	90.4	Very high	55 Å²	55	39.8 Å²	39.8	27%	0.271	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.5	-179.9	-176.8	171.8	-72.1	0	0	110.8	E684 R685 L688 K777	E684-M772 HydrophobicContact CB-CE 3.97Å; R685-M772 HydrophobicContact CG-CE 3.74Å; R685-M772 HydrophobicContact CG-SD 3.9Å; L688-M772 HydrophobicContact CD1-CB 4.11Å; L688-M772 HydrophobicContact CD2-CB 4.1Å; M772-K777 HydrophobicContact CE-CD 4.45Å; M772-K777 HydrophobicContact CE-CG 3.75Å
773	Y	86.2	Confident	90.4	Very high	19 Å²	19	39.8 Å²	39.8	8%	0.075	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.5	165.6	59.7	-90.5	0	0	0	109.5	I710 P712 V714 V740 I771 K775 H778 I781	I710-Y773 HydrophobicContact CD1-CE2 4.15Å; P712-Y773 WeakPolarHBondContact CD-OH 3.05Å; V714-Y773 HydrophobicContact CB-CD2 4.45Å; V714-Y773 HydrophobicContact CG2-CD2 3.91Å; V714-Y773 HydrophobicContact CG2-CE2 4.17Å; V740-Y773 HydrophobicContact CG1-CD1 3.81Å; V740-Y773 HydrophobicContact CG1-CE1 4.08Å; V740-Y773 HydrophobicContact CG1-CG 4.19Å; V740-Y773 HydrophobicContact CG2-CD1 4.49Å; V740-Y773 HydrophobicContact CG2-CD2 4.13Å; V740-Y773 HydrophobicContact CG2-CG 4.04Å; I771-Y773 HydrophobicContact CD1-CD1 4.21Å; I771-Y773 HydrophobicContact CD1-CE1 4.44Å; I771-Y773 HydrophobicContact CG1-CD1 4.15Å; I771-Y773 HydrophobicContact CG1-CE1 4.33Å; Y773-K775 PolarHBondContact O-N 2.9Å; Y773-H778 HydrophobicContact CE1-CB 3.78Å; Y773-H778 AromaticContact CE1-CD2 3.65Å; Y773-H778 AromaticContact CE2-CD2 3.69Å; Y773-H778 AromaticContact CZ-CD2 3.45Å; Y773-H778 VanDerWaalsContact CZ-CD2 3.45Å; Y773-H778 AromaticContact CZ-CG 4Å; Y773-I781 HydrophobicContact CE1-CD1 3.69Å; Y773-I781 HydrophobicContact CE1-CG1 4.01Å
774	G	79.8	Confident	90.4	Very high	55 Å²	55	40.1 Å²	40.1	57%	0.567	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	-109.1	-168.2	0	0	0	0	0	111.9
775	K	75.4	Confident	90.2	Very high	173 Å²	173	41 Å²	41	75%	0.752	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.4	-11.1	-176.3	-71.3	-171	-179.8	-179.6	0	115.8	Y773	Y773-K775 PolarHBondContact O-N 2.9Å
776	K	81.8	Confident	89.9	Confident	114 Å²	114	44.5 Å²	44.5	50%	0.496	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	162.3	-176.9	-70.4	-170.4	175.8	-170.5	0	109.6
777	K	86.6	Confident	89.1	Confident	45 Å²	45	43.4 Å²	43.4	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	143.5	167.2	-65.8	169	98.6	173.8	0	110.9	E684 N687 A770 I771 M772	E684-K777 HydrophobicContact CB-CD 4.13Å; E684-K777 HydrophobicContact CB-CG 4.46Å; E684-K777 WeakPolarHBondContact O-CD 3.05Å; E684-K777 VanDerWaalsContact O-CE 3.23Å; E684-K777 WeakPolarHBondContact O-CE 3.19Å; E684-K777 PolarHBondContact O-NZ 2.98Å; E684-K777 WeakPolarHBondContact OE2-CB 3.44Å; E684-K777 WeakPolarHBondContact OE2-CD 3.34Å; E684-K777 VanDerWaalsContact OE2-CG 3.24Å; E684-K777 WeakPolarHBondContact OE2-CG 3.26Å; E684-K777 PolarHBondContact OE2-N 3.07Å; E684-K777 VanDerWaalsContact OE2-N 3.14Å; N687-K777 PolarHBondContact O-NZ 2.83Å; A770-K777 HydrophobicContact CB-CB 4.09Å; I771-K777 WeakPolarHBondContact O-CA 3.48Å; M772-K777 HydrophobicContact CE-CD 4.45Å; M772-K777 HydrophobicContact CE-CG 3.75Å
778	H	90.4	Very high	87.8	Confident	29 Å²	29	44.2 Å²	44.2	13%	0.134	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	110.2	-177.6	-62.9	-44	0	0	0	110.1	A770 I771 Y773 I781	A770-H778 WeakPolarHBondContact CA-O 3.37Å; I771-H778 PolarHBondContact N-O 3.01Å; I771-H778 PolarHBondContact O-N 3.41Å; Y773-H778 HydrophobicContact CE1-CB 3.78Å; Y773-H778 AromaticContact CE1-CD2 3.65Å; Y773-H778 AromaticContact CE2-CD2 3.69Å; Y773-H778 AromaticContact CZ-CD2 3.45Å; Y773-H778 VanDerWaalsContact CZ-CD2 3.45Å; Y773-H778 AromaticContact CZ-CG 4Å; H778-I781 HydrophobicContact CB-CG1 4.48Å
779	T	92.7	Very high	86.2	Confident	53 Å²	53	46.9 Å²	46.9	33%	0.325	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-34.8	168.8	-45.2	0	0	0	0	110.9	L767 A770	L767-T779 VanDerWaalsContact CB-O 3.31Å; L767-T779 WeakPolarHBondContact CB-O 3.36Å; L767-T779 VanDerWaalsContact CG-O 3.27Å; L767-T779 WeakPolarHBondContact CG-O 3.49Å; L767-T779 PolarHBondContact N-O 2.57Å; L767-T779 VanDerWaalsContact O-CG2 3.22Å; L767-T779 WeakPolarHBondContact O-CG2 3.37Å; A770-T779 WeakPolarHBondContact CB-OG1 3.48Å
780	D	94.8	Very high	84.4	Confident	40 Å²	40	51.1 Å²	51.1	21%	0.214	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.7	-175.9	-71	-87.7	0	0	0	110	P712 H764 H766	P712-D780 WeakPolarHBondContact CD-O 3.45Å; H764-D780 IonicContact CD2-OD1 3.35Å; H764-D780 IonicContact CE1-OD1 2.83Å; H764-D780 IonicContact NE2-OD1 2.61Å; H764-D780 PolarHBondContact NE2-OD1 2.8Å; H766-D780 IonicContact CE1-OD1 2.71Å; H766-D780 IonicContact CE1-OD2 3.67Å; H766-D780 IonicContact CG-OD1 3.16Å; H766-D780 IonicContact ND1-OD1 2.74Å; H766-D780 PolarHBondContact ND1-OD1 2.69Å; H766-D780 IonicContact ND1-OD2 2.65Å; H766-D780 PolarHBondContact ND1-OD2 3.47Å
781	I	94.8	Very high	82.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	121.9	-178.8	-49.4	176	0	0	0	109.2	I710 I742 F765 L767 I771 Y773 H778 F783	I710-I781 HydrophobicContact CD1-CG2 4.11Å; I710-I781 HydrophobicContact CG1-CG2 4.12Å; I742-I781 HydrophobicContact CD1-CB 4.18Å; I742-I781 HydrophobicContact CD1-CD1 3.8Å; I742-I781 HydrophobicContact CD1-CG2 3.98Å; I742-I781 HydrophobicContact CG1-CD1 4.04Å; F765-I781 PolarHBondContact N-O 3.33Å; F765-I781 PolarHBondContact O-N 3.15Å; L767-I781 HydrophobicContact CD1-CD1 3.83Å; L767-I781 HydrophobicContact CD1-CG1 4.45Å; I771-I781 HydrophobicContact CD1-CD1 3.55Å; I771-I781 HydrophobicContact CG1-CD1 3.81Å; Y773-I781 HydrophobicContact CE1-CD1 3.69Å; Y773-I781 HydrophobicContact CE1-CG1 4.01Å; H778-I781 HydrophobicContact CB-CG1 4.48Å; I781-F783 HydrophobicContact CG2-CE2 4.04Å; I781-F783 HydrophobicContact CG2-CZ 3.86Å
782	Q	94.5	Very high	80.5	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.1	-176	172.7	175.8	101.7	0	0	110.8	I710 R711 L762 L763 V872	I710-Q782 CarbonylContact C-O 3.52Å; I710-Q782 WeakPolarHBondContact CA-O 3.41Å; R711-Q782 HydrophobicContact CB-CB 4.06Å; R711-Q782 PolarHBondContact N-O 2.84Å; R711-Q782 PolarHBondContact O-N 3.13Å; L762-Q782 HydrophobicContact CB-CG 4.17Å; L763-Q782 WeakPolarHBondContact O-CA 3.31Å; Q782-V872 PolarHBondContact NE2-O 2.9Å
783	F	95.3	Very high	78.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.2	168.2	-56.9	-76.4	0	0	0	109.3	L708 Y709 I710 L723 F732 I742 L762 L763 F765 I781	L708-F783 HydrophobicContact CD1-CB 4.2Å; L708-F783 HydrophobicContact CD2-CB 4.22Å; Y709-F783 VanDerWaalsContact O-CA 3.31Å; Y709-F783 WeakPolarHBondContact O-CA 3.13Å; I710-F783 HydrophobicContact CB-CD1 4.08Å; I710-F783 HydrophobicContact CB-CE1 3.98Å; I710-F783 HydrophobicContact CD1-CE1 3.68Å; I710-F783 HydrophobicContact CD1-CZ 4.17Å; I710-F783 HydrophobicContact CG1-CD1 4.04Å; I710-F783 HydrophobicContact CG1-CE1 3.59Å; I710-F783 HydrophobicContact CG1-CZ 4.32Å; L723-F783 HydrophobicContact CD1-CD1 4.49Å; L723-F783 HydrophobicContact CD1-CD2 4.14Å; L723-F783 HydrophobicContact CD1-CE1 4.19Å; L723-F783 HydrophobicContact CD1-CE2 3.79Å; L723-F783 HydrophobicContact CD1-CG 4.46Å; L723-F783 HydrophobicContact CD1-CZ 3.82Å; L723-F783 HydrophobicContact CD2-CD2 3.9Å; L723-F783 HydrophobicContact CD2-CE2 4.32Å; L723-F783 HydrophobicContact CD2-CG 4.2Å; F732-F783 HydrophobicContact CB-CD1 4.48Å; F732-F783 HydrophobicContact CB-CE1 3.5Å; F732-F783 VanDerWaalsContact CB-CE1 3.5Å; F732-F783 HydrophobicContact CB-CZ 3.84Å; F732-F783 HydrophobicContact CD1-CE1 4.27Å; F732-F783 AromaticContact CD2-CD1 3.61Å; F732-F783 HydrophobicContact CD2-CD1 3.61Å; F732-F783 AromaticContact CD2-CE1 3.4Å; F732-F783 HydrophobicContact CD2-CE1 3.4Å; F732-F783 VanDerWaalsContact CD2-CE1 3.4Å; F732-F783 HydrophobicContact CD2-CZ 4.47Å; F732-F783 HydrophobicContact CE2-CD1 4.01Å; F732-F783 HydrophobicContact CE2-CE1 4.13Å; F732-F783 HydrophobicContact CG-CD1 4.17Å; F732-F783 AromaticContact CG-CE1 3.47Å; F732-F783 HydrophobicContact CG-CE1 3.47Å; F732-F783 VanDerWaalsContact CG-CE1 3.47Å; F732-F783 HydrophobicContact CG-CZ 4.32Å; I742-F783 HydrophobicContact CD1-CE2 3.66Å; I742-F783 HydrophobicContact CD1-CZ 3.81Å; L762-F783 CarbonylContact C-O 3.58Å; L762-F783 VanDerWaalsContact CA-O 3.28Å; L762-F783 WeakPolarHBondContact CA-O 3.43Å; L763-F783 PolarHBondContact N-O 2.98Å; L763-F783 PolarHBondContact O-N 2.77Å; F765-F783 AromaticContact CD2-CD2 3.94Å; F765-F783 HydrophobicContact CD2-CD2 3.94Å; F765-F783 AromaticContact CD2-CE2 3.78Å; F765-F783 HydrophobicContact CD2-CE2 3.78Å; F765-F783 AromaticContact CE2-CD2 3.73Å; F765-F783 HydrophobicContact CE2-CD2 3.73Å; F765-F783 AromaticContact CE2-CE2 3.78Å; F765-F783 HydrophobicContact CE2-CE2 3.78Å; I781-F783 HydrophobicContact CG2-CE2 4.04Å; I781-F783 HydrophobicContact CG2-CZ 3.86Å
784	Y	94.4	Very high	76.9	Confident	7 Å²	7	70.3 Å²	70.3	3%	0.027	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	155	-174	73.3	-71.3	0	0	0	112.6	Y709 R711 R718 I760 I761 E786	Y709-Y784 HydrophobicContact CD2-CD2 4.43Å; Y709-Y784 HydrophobicContact CD2-CE1 4.49Å; Y709-Y784 AromaticContact CD2-CE2 3.92Å; Y709-Y784 HydrophobicContact CD2-CE2 3.92Å; Y709-Y784 AromaticContact CD2-CZ 3.96Å; Y709-Y784 HydrophobicContact CG-CE1 4.27Å; Y709-Y784 HydrophobicContact CG-CE2 4.47Å; Y709-Y784 PolarHBondContact N-O 3.08Å; Y709-Y784 WeakPolarHBondContact O-CD1 3.18Å; Y709-Y784 PolarHBondContact O-N 2.79Å; R711-Y784 HydrophobicContact CB-CE1 4.38Å; R711-Y784 HydrophobicContact CG-CD1 4.12Å; R711-Y784 HydrophobicContact CG-CE1 3.52Å; R711-Y784 VanDerWaalsContact NE-CE1 3.32Å; R711-Y784 VanDerWaalsContact NE-CZ 3.27Å; R711-Y784 PolarHBondContact NE-OH 3.24Å; R718-Y784 WeakPolarHBondContact CD-OH 3.2Å; I760-Y784 HydrophobicContact CB-CD2 4.34Å; I760-Y784 HydrophobicContact CG2-CD2 3.88Å; I760-Y784 HydrophobicContact CG2-CE2 4.41Å; I761-Y784 WeakPolarHBondContact O-CA 3.37Å; I761-Y784 WeakPolarHBondContact O-CB 3.46Å; Y784-E786 HydrophobicContact CD2-CG 4.31Å; Y784-E786 HydrophobicContact CE2-CG 4.02Å
785	T	92.4	Very high	75.2	Confident	22 Å²	22	71 Å²	71	14%	0.135	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.2	169.1	-61.2	0	0	0	0	108.2	D707 I760 I761 I820	D707-T785 PolarHBondContact O-OG1 3.46Å; D707-T785 VanDerWaalsContact O-OG1 3.07Å; I760-T785 WeakPolarHBondContact CA-O 3.04Å; I761-T785 PolarHBondContact N-O 3.48Å; I761-T785 PolarHBondContact O-N 3.02Å; T785-I820 HydrophobicContact CG2-CD1 4.48Å
786	E	89.2	Confident	73.8	Confident	72 Å²	72	70.1 Å²	70.1	34%	0.336	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	130.5	176.2	-66.7	171	148	0	0	109.2	Y709 R718 I760 Y784	Y709-E786 HydrophobicContact CE2-CG 4.33Å; Y709-E786 WeakPolarHBondContact CE2-OE2 3.5Å; R718-E786 IonicContact CZ-OE1 3.66Å; R718-E786 IonicContact CZ-OE2 3.59Å; R718-E786 VanDerWaalsContact CZ-OE2 3.31Å; R718-E786 VanDerWaalsContact NH1-CD 3.29Å; R718-E786 IonicContact NH1-OE1 3.61Å; R718-E786 PolarHBondContact NH1-OE1 2.89Å; R718-E786 IonicContact NH1-OE2 2.66Å; R718-E786 PolarHBondContact NH1-OE2 3.1Å; R718-E786 IonicContact NH2-OE1 2.7Å; R718-E786 IonicContact NH2-OE2 3.02Å; R718-E786 PolarHBondContact NH2-OE2 3.03Å; I760-E786 HydrophobicContact CG2-CG 4.04Å; Y784-E786 HydrophobicContact CD2-CG 4.31Å; Y784-E786 HydrophobicContact CE2-CG 4.02Å
787	V	78.6	Confident	72.1	Confident	1 Å²	1	71 Å²	71	1%	0.006	39%	0.385	C	S	.	.			trans	-121.1	80.3	-170.7	-170.8	0	0	0	0	109.2	C755 M759 I761 R817 I820	C755-V787 HydrophobicContact CB-CB 4.21Å; C755-V787 HydrophobicContact CB-CG2 4.19Å; M759-V787 PolarHBondContact O-N 3.29Å; I761-V787 HydrophobicContact CB-CG2 4.15Å; I761-V787 HydrophobicContact CG2-CG2 3.74Å; V787-R817 HydrophobicContact CG1-CB 4.01Å; V787-R817 HydrophobicContact CG1-CG 3.53Å; V787-R817 PolarHBondContact O-NH2 3.01Å; V787-I820 HydrophobicContact CG1-CD1 4.42Å; V787-I820 HydrophobicContact CG2-CD1 4.22Å; V787-I820 HydrophobicContact CG2-CG2 4.15Å
788	G	67.3	Low	70.3	Confident	20 Å²	20	77.4 Å²	77.4	21%	0.206	42%	0.415	C	S	.	.	S	Bend	trans	136.5	133.4	-176.7	0	0	0	0	0	109.8
789	E	59	Low	68.2	Low	176 Å²	176	80 Å²	80	82%	0.822	44%	0.436	S	S	*	.			trans	-81.2	146.2	166.6	-68	-176.5	138.9	0	0	108.9	T791	E789-T791 PolarHBondContact O-N 3.2Å
790	L	53.6	Low	66.2	Low	147 Å²	147	83.6 Å²	83.6	77%	0.77	44%	0.444	S	S	*	.			trans	-69	103.1	168	-148.1	82.6	0	0	0	107	T792	L790-T792 HydrophobicContact CD2-CG2 4.01Å; L790-T792 HydrophobicContact CG-CG2 4.08Å; L790-T792 PolarHBondContact O-N 3.1Å; L790-T792 PolarHBondContact O-OG1 3.14Å; L790-T792 VanDerWaalsContact O-OG1 3.11Å
791	T	52	Low	64.1	Low	134 Å²	134	87 Å²	87	82%	0.822	46%	0.46	S	S	*	.			trans	-72.2	59.9	-172.2	43.7	0	0	0	0	112.7	E789	E789-T791 PolarHBondContact O-N 3.2Å
792	T	45.9	Very low	62.5	Low	82 Å²	82	90.6 Å²	90.6	50%	0.503	48%	0.477	S	S	.	.			trans	-121.8	27.5	-169.6	53.7	0	0	0	0	112.2	L790 L794	L790-T792 HydrophobicContact CD2-CG2 4.01Å; L790-T792 HydrophobicContact CG-CG2 4.08Å; L790-T792 PolarHBondContact O-N 3.1Å; L790-T792 PolarHBondContact O-OG1 3.14Å; L790-T792 VanDerWaalsContact O-OG1 3.11Å; T792-L794 PolarHBondContact O-N 2.92Å
793	D	44.9	Very low	61.2	Low	137 Å²	137	94.6 Å²	94.6	73%	0.733	50%	0.498	S	S	*	.			trans	-73.4	67.3	160	-159.9	-4.7	0	0	0	109.7	S795	D793-S795 PolarHBondContact O-N 2.8Å; D793-S795 WeakPolarHBondContact OD1-CB 3.08Å; D793-S795 PolarHBondContact OD1-N 2.7Å; D793-S795 PolarHBondContact OD1-OG 2.81Å
794	L	51.3	Low	59.8	Low	168 Å²	168	102 Å²	102	88%	0.88	53%	0.527	S	S	*	.			trans	-72.3	16.3	174.5	-74.4	163.2	0	0	0	111.6	T792	T792-L794 PolarHBondContact O-N 2.92Å
795	S	43.9	Very low	58.7	Low	70 Å²	70	104.4 Å²	104.4	49%	0.49	54%	0.539	S	S	.	.			trans	-113.4	125.2	-171.7	90.2	0	0	0	0	112.5	D793	D793-S795 PolarHBondContact O-N 2.8Å; D793-S795 WeakPolarHBondContact OD1-CB 3.08Å; D793-S795 PolarHBondContact OD1-N 2.7Å; D793-S795 PolarHBondContact OD1-OG 2.81Å
796	K	47	Very low	57.7	Low	155 Å²	155	106.9 Å²	106.9	67%	0.674	55%	0.552	S	S	*	*	S	Bend	trans	69	81.1	156.1	-54.6	179.4	-177	-178.5	0	118.7
797	T	44.6	Very low	57	Low	132 Å²	132	107.6 Å²	107.6	81%	0.81	56%	0.558	S	S	*	*				83.4	40.4	123.4	-35.3	0	0	0	0	120.5
798	H	49.1	Very low	56.9	Low	180 Å²	180	111 Å²	111	83%	0.833	57%	0.574	S	S	*	*			trans	-135.1	84.6	169.1	-76.5	-65.5	0	0	0	115.1
799	S	46.6	Very low	57.3	Low	82 Å²	82	111.7 Å²	111.7	57%	0.573	58%	0.577	S	S	*	*			trans	-102	36.5	-165.4	77.4	0	0	0	0	117.3
800	R	50.4	Low	58.2	Low	130 Å²	130	107.4 Å²	107.4	49%	0.491	56%	0.557	S	S	.	*	S	Bend	trans	-144.3	14.3	-175.3	-77	-160.2	177.9	-159.2	-9.6	118.9	N5 D83	N5-R800 VanDerWaalsContact OD1-C 3.26Å; N5-R800 VanDerWaalsContact OD1-CA 3.28Å; N5-R800 WeakPolarHBondContact OD1-CA 3.48Å; N5-R800 PolarHBondContact OD1-O 3.33Å; D83-R800 PolarHBondContact O-NH1 3.48Å; D83-R800 PolarHBondContact O-NH2 3.01Å
801	M	51.4	Low	59.6	Low	110 Å²	110	105.1 Å²	105.1	54%	0.542	54%	0.542	S	S	.	.	S	Bend	trans	-136.8	1.3	-179.9	-71.1	180	48	0	0	115.3	D803 R804 D805	M801-D803 PolarHBondContact O-N 3.24Å; M801-R804 PolarHBondContact O-N 2.92Å; M801-D805 WeakPolarHBondContact CB-OD2 3.42Å; M801-D805 WeakPolarHBondContact CE-OD1 3.41Å; M801-D805 WeakPolarHBondContact CE-OD2 3.32Å; M801-D805 PolarHBondContact O-N 2.86Å
802	Q	62.3	Low	60.9	Low	76 Å²	76	105.7 Å²	105.7	36%	0.355	53%	0.53	S	S	.	.	H	α-helix	trans	-50.9	-64.8	-165.1	-88.6	176.5	-57.7	0	0	114.7	N5 R804 D805 D806	N5-Q802 PolarHBondContact ND2-N 3.26Å; Q802-R804 CarbonylContact O-C 3.59Å; Q802-R804 PolarHBondContact O-N 3Å; Q802-D805 CarbonylContact O-C 3.14Å; Q802-D805 PolarHBondContact O-N 2.83Å; Q802-D806 VanDerWaalsContact C-OD2 3.25Å; Q802-D806 VanDerWaalsContact CB-OD2 3.32Å; Q802-D806 WeakPolarHBondContact CB-OD2 3.26Å; Q802-D806 WeakPolarHBondContact O-CB 3.27Å; Q802-D806 PolarHBondContact O-N 2.81Å
803	D	67.1	Low	62.5	Low	86 Å²	86	104.6 Å²	104.6	46%	0.46	52%	0.519	S	S	.	.	H	α-helix	trans	-50.6	-30.9	-171.7	-50.6	54.1	0	0	0	115.1	N5 M801 L807	N5-D803 PolarHBondContact ND2-OD1 2.7Å; M801-D803 PolarHBondContact O-N 3.24Å; D803-L807 VanDerWaalsContact O-CB 3.23Å; D803-L807 WeakPolarHBondContact O-CB 3.19Å; D803-L807 PolarHBondContact O-N 3.25Å
804	R	65.9	Low	64.4	Low	156 Å²	156	104.6 Å²	104.6	59%	0.589	51%	0.509	S	S	*	.	H	α-helix	trans	-87	-41.8	175.6	-150.4	-162.2	95.9	-147.4	-3.5	112.5	M801 Q802 D806 E808	M801-R804 PolarHBondContact O-N 2.92Å; Q802-R804 CarbonylContact O-C 3.59Å; Q802-R804 PolarHBondContact O-N 3Å; R804-D806 VanDerWaalsContact C-N 3.29Å; R804-E808 IonicContact CZ-OE1 3.39Å; R804-E808 IonicContact NE-OE1 2.73Å; R804-E808 PolarHBondContact NE-OE1 3.17Å; R804-E808 IonicContact NH2-OE1 2.71Å; R804-E808 PolarHBondContact NH2-OE1 2.88Å; R804-E808 IonicContact NH2-OE2 3.87Å; R804-E808 VanDerWaalsContact O-CB 3.24Å; R804-E808 WeakPolarHBondContact O-CB 3.23Å; R804-E808 WeakPolarHBondContact O-CG 3.24Å; R804-E808 PolarHBondContact O-N 3.49Å
805	D	70.2	Confident	66	Low	56 Å²	56	101.9 Å²	101.9	30%	0.299	49%	0.491	S	S	.	.	H	α-helix	trans	-68.3	-31.4	177.8	-67.7	-5.7	0	0	0	111.5	M801 Q802 E808 A809 R812	M801-D805 WeakPolarHBondContact CB-OD2 3.42Å; M801-D805 WeakPolarHBondContact CE-OD1 3.41Å; M801-D805 WeakPolarHBondContact CE-OD2 3.32Å; M801-D805 PolarHBondContact O-N 2.86Å; Q802-D805 CarbonylContact O-C 3.14Å; Q802-D805 PolarHBondContact O-N 2.83Å; D805-E808 CarbonylContact O-C 3.59Å; D805-A809 VanDerWaalsContact O-CB 3.29Å; D805-A809 WeakPolarHBondContact O-CB 3.16Å; D805-A809 PolarHBondContact O-N 3.1Å; D805-R812 PolarHBondContact O-NH2 3.32Å; D805-R812 VanDerWaalsContact O-NH2 3.15Å
806	D	72.5	Confident	67.8	Low	74 Å²	74	102.7 Å²	102.7	40%	0.396	49%	0.488	S	S	.	.	H	α-helix	trans	-76.5	-41.4	176.5	-64	-19.5	0	0	0	111.3	Q802 R804 A809 E810	Q802-D806 VanDerWaalsContact C-OD2 3.25Å; Q802-D806 VanDerWaalsContact CB-OD2 3.32Å; Q802-D806 WeakPolarHBondContact CB-OD2 3.26Å; Q802-D806 WeakPolarHBondContact O-CB 3.27Å; Q802-D806 PolarHBondContact O-N 2.81Å; R804-D806 VanDerWaalsContact C-N 3.29Å; D806-A809 CarbonylContact O-C 3.6Å; D806-A809 WeakPolarHBondContact O-CA 3.47Å; D806-A809 WeakPolarHBondContact O-CB 3.19Å; D806-A809 PolarHBondContact O-N 3.46Å; D806-A809 VanDerWaalsContact O-N 3.12Å; D806-E810 PolarHBondContact O-N 3.23Å
807	L	74	Confident	69.7	Low	87 Å²	87	97.5 Å²	97.5	46%	0.455	47%	0.465	S	S	.	.	H	α-helix	trans	-73.3	-33.1	172.8	-168	149.9	0	0	0	111.2	D803 A809 Q811	D803-L807 VanDerWaalsContact O-CB 3.23Å; D803-L807 WeakPolarHBondContact O-CB 3.19Å; D803-L807 PolarHBondContact O-N 3.25Å; L807-A809 VanDerWaalsContact C-N 3.28Å; L807-Q811 HydrophobicContact CD2-CG 4.22Å; L807-Q811 WeakPolarHBondContact O-CB 3.27Å; L807-Q811 VanDerWaalsContact O-CG 3.3Å; L807-Q811 WeakPolarHBondContact O-CG 3.48Å; L807-Q811 PolarHBondContact O-N 3Å
808	E	75.7	Confident	71.8	Confident	74 Å²	74	97.4 Å²	97.4	35%	0.346	46%	0.455	S	S	.	.	H	α-helix	trans	-66.6	-28.2	164.3	-79.6	179.1	-148.9	0	0	112	R804 D805 R812	R804-E808 IonicContact CZ-OE1 3.39Å; R804-E808 IonicContact NE-OE1 2.73Å; R804-E808 PolarHBondContact NE-OE1 3.17Å; R804-E808 IonicContact NH2-OE1 2.71Å; R804-E808 PolarHBondContact NH2-OE1 2.88Å; R804-E808 IonicContact NH2-OE2 3.87Å; R804-E808 VanDerWaalsContact O-CB 3.24Å; R804-E808 WeakPolarHBondContact O-CB 3.23Å; R804-E808 WeakPolarHBondContact O-CG 3.24Å; R804-E808 PolarHBondContact O-N 3.49Å; D805-E808 CarbonylContact O-C 3.59Å; E808-R812 VanDerWaalsContact O-CB 3.24Å; E808-R812 WeakPolarHBondContact O-CB 3.43Å; E808-R812 WeakPolarHBondContact O-CG 3.33Å; E808-R812 PolarHBondContact O-N 3.12Å; E808-R812 PolarHBondContact O-NE 2.69Å
809	A	75.2	Confident	73.6	Confident	34 Å²	34	94.8 Å²	94.8	28%	0.281	44%	0.443	S	S	.	.	H	α-helix	trans	-72.1	-46.8	173.1	0	0	0	0	0	110.8	D805 D806 L807 Q811 R812 E813	D805-A809 VanDerWaalsContact O-CB 3.29Å; D805-A809 WeakPolarHBondContact O-CB 3.16Å; D805-A809 PolarHBondContact O-N 3.1Å; D806-A809 CarbonylContact O-C 3.6Å; D806-A809 WeakPolarHBondContact O-CA 3.47Å; D806-A809 WeakPolarHBondContact O-CB 3.19Å; D806-A809 PolarHBondContact O-N 3.46Å; D806-A809 VanDerWaalsContact O-N 3.12Å; L807-A809 VanDerWaalsContact C-N 3.28Å; A809-Q811 VanDerWaalsContact C-N 3.31Å; A809-Q811 PolarHBondContact O-N 3.3Å; A809-R812 VanDerWaalsContact CA-NH2 3.27Å; A809-R812 CarbonylContact O-C 3.58Å; A809-R812 PolarHBondContact O-N 2.7Å; A809-E813 VanDerWaalsContact O-CB 3.29Å; A809-E813 WeakPolarHBondContact O-CB 3.43Å; A809-E813 PolarHBondContact O-N 2.92Å
810	E	78.9	Confident	75.7	Confident	85 Å²	85	92.2 Å²	92.2	40%	0.397	42%	0.422	S	S	.	.	H	α-helix	trans	-61.9	-39.2	175	-161.3	-161.6	-164.1	0	0	111.3	D806 E813 R814	D806-E810 PolarHBondContact O-N 3.23Å; E810-E813 PolarHBondContact O-N 3.18Å; E810-R814 VanDerWaalsContact CD-CZ 3.44Å; E810-R814 WeakPolarHBondContact O-CB 3.5Å; E810-R814 WeakPolarHBondContact O-CG 3.33Å; E810-R814 PolarHBondContact O-N 3.02Å; E810-R814 IonicContact OE1-CZ 3.96Å; E810-R814 IonicContact OE1-NE 3.82Å; E810-R814 PolarHBondContact OE1-NE 3.43Å; E810-R814 IonicContact OE1-NH2 3.52Å; E810-R814 PolarHBondContact OE1-NH2 3.11Å; E810-R814 IonicContact OE2-CZ 3.24Å; E810-R814 VanDerWaalsContact OE2-CZ 3.31Å; E810-R814 IonicContact OE2-NE 3.93Å; E810-R814 IonicContact OE2-NH2 3.05Å; E810-R814 PolarHBondContact OE2-NH2 3.32Å
811	Q	82	Confident	77.6	Confident	99 Å²	99	88 Å²	88	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-66.3	-47.5	173	-76.6	-178.7	-1.6	0	0	112	L807 A809 E813 R814 E815	L807-Q811 HydrophobicContact CD2-CG 4.22Å; L807-Q811 WeakPolarHBondContact O-CB 3.27Å; L807-Q811 VanDerWaalsContact O-CG 3.3Å; L807-Q811 WeakPolarHBondContact O-CG 3.48Å; L807-Q811 PolarHBondContact O-N 3Å; A809-Q811 VanDerWaalsContact C-N 3.31Å; A809-Q811 PolarHBondContact O-N 3.3Å; Q811-E813 VanDerWaalsContact C-N 3.25Å; Q811-E813 PolarHBondContact O-N 2.86Å; Q811-R814 PolarHBondContact O-N 2.66Å; Q811-E815 WeakPolarHBondContact O-CB 3.42Å; Q811-E815 WeakPolarHBondContact O-CG 3.36Å; Q811-E815 PolarHBondContact O-N 3.02Å
812	R	79.2	Confident	79.5	Confident	146 Å²	146	89.4 Å²	89.4	55%	0.551	42%	0.415	S	S	*	.	H	α-helix	trans	-59.7	-36.8	174.2	-79	175.1	-71.6	127.5	-7.6	112.1	D805 E808 A809 M816	D805-R812 PolarHBondContact O-NH2 3.32Å; D805-R812 VanDerWaalsContact O-NH2 3.15Å; E808-R812 VanDerWaalsContact O-CB 3.24Å; E808-R812 WeakPolarHBondContact O-CB 3.43Å; E808-R812 WeakPolarHBondContact O-CG 3.33Å; E808-R812 PolarHBondContact O-N 3.12Å; E808-R812 PolarHBondContact O-NE 2.69Å; A809-R812 VanDerWaalsContact CA-NH2 3.27Å; A809-R812 CarbonylContact O-C 3.58Å; A809-R812 PolarHBondContact O-N 2.7Å; R812-M816 WeakPolarHBondContact O-CB 3.34Å; R812-M816 PolarHBondContact O-N 2.8Å
813	E	80.4	Confident	80.9	Confident	59 Å²	59	88 Å²	88	28%	0.276	42%	0.417	S	S	.	.	H	α-helix	trans	-69.1	-46.7	176.8	-163	-159.7	138.9	0	0	110.6	A809 E810 Q811 M816 R817	A809-E813 VanDerWaalsContact O-CB 3.29Å; A809-E813 WeakPolarHBondContact O-CB 3.43Å; A809-E813 PolarHBondContact O-N 2.92Å; E810-E813 PolarHBondContact O-N 3.18Å; Q811-E813 VanDerWaalsContact C-N 3.25Å; Q811-E813 PolarHBondContact O-N 2.86Å; E813-M816 CarbonylContact O-C 3.5Å; E813-M816 WeakPolarHBondContact O-CB 3.42Å; E813-M816 PolarHBondContact O-N 3.17Å; E813-M816 VanDerWaalsContact O-N 3.17Å; E813-R817 HydrophobicContact CG-CG 4.45Å; E813-R817 WeakPolarHBondContact O-CG 3.47Å; E813-R817 PolarHBondContact O-N 3.43Å; E813-R817 IonicContact OE1-CZ 3.2Å; E813-R817 IonicContact OE1-NE 3.89Å; E813-R817 PolarHBondContact OE1-NE 3.46Å; E813-R817 IonicContact OE1-NH2 3.84Å; E813-R817 PolarHBondContact OE1-NH2 3.09Å
814	R	83.9	Confident	82.2	Confident	138 Å²	138	84.1 Å²	84.1	52%	0.521	40%	0.395	S	S	.	.	H	α-helix	trans	-60.7	-45.4	174.7	-72.1	168.2	-177.1	-167.2	9.6	111.9	E810 Q811 M816 R817 E818	E810-R814 VanDerWaalsContact CD-CZ 3.44Å; E810-R814 WeakPolarHBondContact O-CB 3.5Å; E810-R814 WeakPolarHBondContact O-CG 3.33Å; E810-R814 PolarHBondContact O-N 3.02Å; E810-R814 IonicContact OE1-CZ 3.96Å; E810-R814 IonicContact OE1-NE 3.82Å; E810-R814 PolarHBondContact OE1-NE 3.43Å; E810-R814 IonicContact OE1-NH2 3.52Å; E810-R814 PolarHBondContact OE1-NH2 3.11Å; E810-R814 IonicContact OE2-CZ 3.24Å; E810-R814 VanDerWaalsContact OE2-CZ 3.31Å; E810-R814 IonicContact OE2-NE 3.93Å; E810-R814 IonicContact OE2-NH2 3.05Å; E810-R814 PolarHBondContact OE2-NH2 3.32Å; Q811-R814 PolarHBondContact O-N 2.66Å; R814-M816 VanDerWaalsContact C-N 3.31Å; R814-M816 PolarHBondContact O-N 3.26Å; R814-R817 WeakPolarHBondContact O-CB 3.48Å; R814-R817 PolarHBondContact O-N 3.03Å; R814-E818 PolarHBondContact O-N 3.37Å
815	E	86	Confident	83.4	Confident	110 Å²	110	84.3 Å²	84.3	51%	0.514	40%	0.396	S	S	.	.	H	α-helix	trans	-60.5	-39.5	173.1	-75.1	-177	-177.1	0	0	111.6	Q811 E818 Q819	Q811-E815 WeakPolarHBondContact O-CB 3.42Å; Q811-E815 WeakPolarHBondContact O-CG 3.36Å; Q811-E815 PolarHBondContact O-N 3.02Å; E815-E818 PolarHBondContact O-N 2.95Å; E815-Q819 VanDerWaalsContact O-CB 3.3Å; E815-Q819 WeakPolarHBondContact O-CB 3.47Å; E815-Q819 WeakPolarHBondContact O-CG 3.36Å; E815-Q819 PolarHBondContact O-N 2.94Å; E815-Q819 PolarHBondContact O-NE2 2.94Å
816	M	81.9	Confident	84.4	Confident	87 Å²	87	83.6 Å²	83.6	43%	0.429	40%	0.395	S	S	.	.	H	α-helix	trans	-67.4	-41.9	174.1	178	174.4	171.8	0	0	111.5	R812 E813 R814 E818 Q819 I820	R812-M816 WeakPolarHBondContact O-CB 3.34Å; R812-M816 PolarHBondContact O-N 2.8Å; E813-M816 CarbonylContact O-C 3.5Å; E813-M816 WeakPolarHBondContact O-CB 3.42Å; E813-M816 PolarHBondContact O-N 3.17Å; E813-M816 VanDerWaalsContact O-N 3.17Å; R814-M816 VanDerWaalsContact C-N 3.31Å; R814-M816 PolarHBondContact O-N 3.26Å; M816-E818 VanDerWaalsContact C-N 3.35Å; M816-E818 PolarHBondContact O-N 3.01Å; M816-Q819 PolarHBondContact O-N 3.3Å; M816-I820 HydrophobicContact CE-CD1 3.74Å; M816-I820 HydrophobicContact CG-CD1 3.66Å; M816-I820 HydrophobicContact CG-CG1 4.37Å; M816-I820 VanDerWaalsContact O-CB 3.25Å; M816-I820 WeakPolarHBondContact O-CB 3.27Å; M816-I820 WeakPolarHBondContact O-CG1 3.48Å; M816-I820 PolarHBondContact O-N 3.16Å
817	R	86.7	Confident	85.4	Confident	47 Å²	47	80.4 Å²	80.4	18%	0.177	38%	0.378	C	S	.	.	H	α-helix	trans	-58.4	-47.4	173.9	-56	-128.5	-176.7	-170.6	-3.2	109.9	C755 E758 M759 V787 E813 R814 K821	C755-R817 PolarHBondContact O-NH1 3.04Å; E758-R817 PolarHBondContact O-NH1 3.48Å; M759-R817 PolarHBondContact SD-NH2 2.84Å; V787-R817 HydrophobicContact CG1-CB 4.01Å; V787-R817 HydrophobicContact CG1-CG 3.53Å; V787-R817 PolarHBondContact O-NH2 3.01Å; E813-R817 HydrophobicContact CG-CG 4.45Å; E813-R817 WeakPolarHBondContact O-CG 3.47Å; E813-R817 PolarHBondContact O-N 3.43Å; E813-R817 IonicContact OE1-CZ 3.2Å; E813-R817 IonicContact OE1-NE 3.89Å; E813-R817 PolarHBondContact OE1-NE 3.46Å; E813-R817 IonicContact OE1-NH2 3.84Å; E813-R817 PolarHBondContact OE1-NH2 3.09Å; R814-R817 WeakPolarHBondContact O-CB 3.48Å; R814-R817 PolarHBondContact O-N 3.03Å; R817-K821 WeakPolarHBondContact O-CB 3.39Å; R817-K821 WeakPolarHBondContact O-CG 3.29Å; R817-K821 PolarHBondContact O-N 2.86Å
818	E	87.8	Confident	86.3	Confident	130 Å²	130	76.6 Å²	76.6	61%	0.607	36%	0.358	S	S	*	.	H	α-helix	trans	-66.4	-46.3	178	-73.3	-173.1	176.5	0	0	112.7	R814 E815 M816 I820 K821 M822	R814-E818 PolarHBondContact O-N 3.37Å; E815-E818 PolarHBondContact O-N 2.95Å; M816-E818 VanDerWaalsContact C-N 3.35Å; M816-E818 PolarHBondContact O-N 3.01Å; E818-I820 VanDerWaalsContact C-N 3.31Å; E818-I820 PolarHBondContact O-N 2.92Å; E818-K821 PolarHBondContact O-N 2.95Å; E818-M822 WeakPolarHBondContact O-CB 3.48Å; E818-M822 VanDerWaalsContact O-CG 3.31Å; E818-M822 WeakPolarHBondContact O-CG 3.42Å; E818-M822 PolarHBondContact O-N 3.48Å
819	Q	88.5	Confident	87	Confident	124 Å²	124	76.3 Å²	76.3	58%	0.579	36%	0.359	S	S	*	.	H	α-helix	trans	-59.6	-41.6	176.6	-75.8	170.4	55.9	0	0	112	E815 M816 M822 A823	E815-Q819 VanDerWaalsContact O-CB 3.3Å; E815-Q819 WeakPolarHBondContact O-CB 3.47Å; E815-Q819 WeakPolarHBondContact O-CG 3.36Å; E815-Q819 PolarHBondContact O-N 2.94Å; E815-Q819 PolarHBondContact O-NE2 2.94Å; M816-Q819 PolarHBondContact O-N 3.3Å; Q819-M822 PolarHBondContact O-N 3.02Å; Q819-A823 WeakPolarHBondContact O-CB 3.46Å; Q819-A823 PolarHBondContact O-N 2.96Å
820	I	89.9	Confident	87.6	Confident	28 Å²	28	80.2 Å²	80.2	14%	0.144	37%	0.367	C	S	.	.	H	α-helix	trans	-68.6	-45.5	176.9	-71.1	173	0	0	0	110.7	I761 T785 V787 M816 E818 M822 A823 F824	I761-I820 HydrophobicContact CB-CG2 4.47Å; I761-I820 HydrophobicContact CD1-CG2 4.08Å; I761-I820 HydrophobicContact CG2-CG2 3.54Å; T785-I820 HydrophobicContact CG2-CD1 4.48Å; V787-I820 HydrophobicContact CG1-CD1 4.42Å; V787-I820 HydrophobicContact CG2-CD1 4.22Å; V787-I820 HydrophobicContact CG2-CG2 4.15Å; M816-I820 HydrophobicContact CE-CD1 3.74Å; M816-I820 HydrophobicContact CG-CD1 3.66Å; M816-I820 HydrophobicContact CG-CG1 4.37Å; M816-I820 VanDerWaalsContact O-CB 3.25Å; M816-I820 WeakPolarHBondContact O-CB 3.27Å; M816-I820 WeakPolarHBondContact O-CG1 3.48Å; M816-I820 PolarHBondContact O-N 3.16Å; E818-I820 VanDerWaalsContact C-N 3.31Å; E818-I820 PolarHBondContact O-N 2.92Å; I820-M822 VanDerWaalsContact C-N 3.31Å; I820-M822 PolarHBondContact O-N 3.42Å; I820-A823 PolarHBondContact O-N 2.87Å; I820-A823 VanDerWaalsContact O-N 3.13Å; I820-F824 HydrophobicContact CG2-CD2 3.91Å; I820-F824 HydrophobicContact CG2-CE2 3.96Å; I820-F824 WeakPolarHBondContact O-CD2 3.39Å; I820-F824 PolarHBondContact O-N 3.43Å
821	K	90.8	Very high	88.1	Confident	43 Å²	43	76.1 Å²	76.1	19%	0.187	35%	0.348	C	S	.	.	H	α-helix	trans	-57.6	-42	173	-74.5	173.4	-169.7	-172.1	0	112	C755 D756 I761 R817 E818 R825	C755-K821 WeakPolarHBondContact SG-CE 3.48Å; D756-K821 IonicContact OD1-NZ 2.67Å; D756-K821 PolarHBondContact OD1-NZ 2.82Å; D756-K821 WeakPolarHBondContact OD2-CE 3.29Å; D756-K821 IonicContact OD2-NZ 3.83Å; D756-K821 PolarHBondContact OD2-NZ 3.29Å; I761-K821 HydrophobicContact CD1-CB 4.46Å; I761-K821 HydrophobicContact CD1-CG 3.93Å; R817-K821 WeakPolarHBondContact O-CB 3.39Å; R817-K821 WeakPolarHBondContact O-CG 3.29Å; R817-K821 PolarHBondContact O-N 2.86Å; E818-K821 PolarHBondContact O-N 2.95Å; K821-R825 VanDerWaalsContact O-CB 3.23Å; K821-R825 WeakPolarHBondContact O-CB 3.48Å; K821-R825 PolarHBondContact O-N 2.96Å
822	M	91.5	Very high	88.5	Confident	138 Å²	138	73.8 Å²	73.8	68%	0.68	34%	0.337	S	S	*	.	H	α-helix	trans	-64.8	-38.4	175.3	-73.7	-178.9	70.9	0	0	112.4	E818 Q819 I820 S826	E818-M822 WeakPolarHBondContact O-CB 3.48Å; E818-M822 VanDerWaalsContact O-CG 3.31Å; E818-M822 WeakPolarHBondContact O-CG 3.42Å; E818-M822 PolarHBondContact O-N 3.48Å; Q819-M822 PolarHBondContact O-N 3.02Å; I820-M822 VanDerWaalsContact C-N 3.31Å; I820-M822 PolarHBondContact O-N 3.42Å; M822-S826 VanDerWaalsContact O-CB 3.26Å; M822-S826 WeakPolarHBondContact O-CB 3.45Å; M822-S826 PolarHBondContact O-N 3.01Å
823	A	91.5	Very high	88.9	Confident	48 Å²	48	72.4 Å²	72.4	40%	0.397	34%	0.34	S	S	.	.	H	α-helix	trans	-67.9	-45.8	176.9	0	0	0	0	0	112.2	L705 Q819 I820 F827	L705-A823 HydrophobicContact CD1-CB 4.38Å; Q819-A823 WeakPolarHBondContact O-CB 3.46Å; Q819-A823 PolarHBondContact O-N 2.96Å; I820-A823 PolarHBondContact O-N 2.87Å; I820-A823 VanDerWaalsContact O-N 3.13Å; A823-F827 PolarHBondContact O-N 3.39Å; A823-F827 VanDerWaalsContact O-N 3.09Å
824	F	93.6	Very high	89.2	Confident	4 Å²	4	72.7 Å²	72.7	2%	0.018	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-47.8	175.1	-88.9	-114.2	0	0	0	111.4	L705 L708 Y752 I761 L763 I820 S826 F827 V828	L705-F824 HydrophobicContact CD1-CD2 3.97Å; L705-F824 HydrophobicContact CD1-CE2 4.11Å; L705-F824 HydrophobicContact CD2-CD1 3.91Å; L705-F824 HydrophobicContact CD2-CD2 3.92Å; L705-F824 HydrophobicContact CD2-CE1 3.89Å; L705-F824 HydrophobicContact CD2-CE2 3.89Å; L705-F824 HydrophobicContact CD2-CG 3.93Å; L705-F824 HydrophobicContact CD2-CZ 3.88Å; L705-F824 HydrophobicContact CG-CD2 4.46Å; L705-F824 HydrophobicContact CG-CE2 4.3Å; L708-F824 HydrophobicContact CD2-CE1 4.12Å; L708-F824 HydrophobicContact CD2-CE2 4.23Å; L708-F824 HydrophobicContact CD2-CZ 3.46Å; L708-F824 VanDerWaalsContact CD2-CZ 3.46Å; Y752-F824 HydrophobicContact CE2-CB 3.77Å; Y752-F824 HydrophobicContact CE2-CD1 4.21Å; Y752-F824 HydrophobicContact CE2-CG 4.42Å; I761-F824 HydrophobicContact CB-CE1 4.5Å; I761-F824 HydrophobicContact CD1-CB 3.8Å; I761-F824 HydrophobicContact CD1-CD1 4.05Å; I761-F824 HydrophobicContact CD1-CD2 3.98Å; I761-F824 HydrophobicContact CD1-CG 3.68Å; I761-F824 HydrophobicContact CG1-CB 4.48Å; I761-F824 HydrophobicContact CG1-CD1 3.82Å; I761-F824 HydrophobicContact CG1-CD2 4.38Å; I761-F824 HydrophobicContact CG1-CE1 4.08Å; I761-F824 HydrophobicContact CG1-CG 3.98Å; I761-F824 HydrophobicContact CG1-CZ 4.46Å; I761-F824 HydrophobicContact CG2-CD1 4.38Å; I761-F824 HydrophobicContact CG2-CD2 4.05Å; I761-F824 HydrophobicContact CG2-CE1 3.94Å; I761-F824 HydrophobicContact CG2-CE2 3.57Å; I761-F824 HydrophobicContact CG2-CG 4.43Å; I761-F824 HydrophobicContact CG2-CZ 3.5Å; L763-F824 HydrophobicContact CD1-CD1 4.34Å; L763-F824 HydrophobicContact CD1-CE1 4.48Å; L763-F824 HydrophobicContact CD2-CD1 4.24Å; L763-F824 HydrophobicContact CG-CD1 3.94Å; L763-F824 HydrophobicContact CG-CE1 4.06Å; I820-F824 HydrophobicContact CG2-CD2 3.91Å; I820-F824 HydrophobicContact CG2-CE2 3.96Å; I820-F824 WeakPolarHBondContact O-CD2 3.39Å; I820-F824 PolarHBondContact O-N 3.43Å; F824-S826 PolarHBondContact O-N 2.99Å; F824-F827 CarbonylContact O-C 3.6Å; F824-F827 WeakPolarHBondContact O-CA 3.49Å; F824-F827 WeakPolarHBondContact O-CB 3.39Å; F824-F827 PolarHBondContact O-N 2.84Å; F824-V828 PolarHBondContact O-N 2.83Å
825	R	91.3	Very high	89.2	Confident	160 Å²	160	66.1 Å²	66.1	60%	0.604	32%	0.319	S	S	*	.	H	α-helix	trans	-61.4	-45.5	178	-168	171.9	-168.7	151	10	112	K821 F827 V828 D829	K821-R825 VanDerWaalsContact O-CB 3.23Å; K821-R825 WeakPolarHBondContact O-CB 3.48Å; K821-R825 PolarHBondContact O-N 2.96Å; R825-F827 PolarHBondContact O-N 2.92Å; R825-F827 VanDerWaalsContact O-N 3.13Å; R825-V828 PolarHBondContact O-N 2.88Å; R825-V828 VanDerWaalsContact O-N 3.14Å; R825-D829 PolarHBondContact O-N 3.26Å
826	S	91.7	Very high	89.1	Confident	40 Å²	40	70.1 Å²	70.1	28%	0.28	33%	0.329	S	S	.	.	H	α-helix	trans	-67.3	-10.5	173.5	179.5	0	0	0	0	114	M822 F824 R830	M822-S826 VanDerWaalsContact O-CB 3.26Å; M822-S826 WeakPolarHBondContact O-CB 3.45Å; M822-S826 PolarHBondContact O-N 3.01Å; F824-S826 PolarHBondContact O-N 2.99Å; S826-R830 VanDerWaalsContact O-CD 3.23Å; S826-R830 WeakPolarHBondContact O-CD 3.36Å; S826-R830 VanDerWaalsContact O-CG 3.24Å; S826-R830 WeakPolarHBondContact O-CG 3.33Å; S826-R830 PolarHBondContact O-NE 2.81Å; S826-R830 PolarHBondContact OG-NE 3.4Å; S826-R830 PolarHBondContact OG-NH2 2.78Å
827	F	92.5	Very high	89.3	Confident	7 Å²	7	77 Å²	77	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-87.5	-45.1	168.3	-178	-91.4	0	0	0	110.8	L705 L723 A725 F730 L763 A823 F824 R825 R830 S831	L705-F827 HydrophobicContact CB-CB 4.46Å; L705-F827 HydrophobicContact CB-CD2 3.69Å; L705-F827 HydrophobicContact CB-CE2 4Å; L705-F827 HydrophobicContact CB-CG 3.97Å; L705-F827 HydrophobicContact CD2-CB 4.28Å; L705-F827 HydrophobicContact CD2-CD1 4.22Å; L705-F827 HydrophobicContact CD2-CG 4.16Å; L723-F827 HydrophobicContact CB-CZ 4.5Å; L723-F827 HydrophobicContact CD2-CE1 3.78Å; L723-F827 HydrophobicContact CD2-CZ 3.79Å; L723-F827 HydrophobicContact CG-CE1 4.46Å; L723-F827 HydrophobicContact CG-CZ 3.96Å; A725-F827 HydrophobicContact CB-CE2 4.3Å; A725-F827 HydrophobicContact CB-CZ 4.21Å; F730-F827 HydrophobicContact CD1-CE1 4.35Å; F730-F827 HydrophobicContact CD1-CZ 4.03Å; F730-F827 AromaticContact CE1-CE1 3.92Å; F730-F827 HydrophobicContact CE1-CE1 3.92Å; F730-F827 AromaticContact CE1-CZ 3.95Å; F730-F827 HydrophobicContact CE1-CZ 3.95Å; L763-F827 HydrophobicContact CD1-CD1 3.77Å; L763-F827 HydrophobicContact CD1-CE1 3.91Å; A823-F827 PolarHBondContact O-N 3.39Å; A823-F827 VanDerWaalsContact O-N 3.09Å; F824-F827 CarbonylContact O-C 3.6Å; F824-F827 WeakPolarHBondContact O-CA 3.49Å; F824-F827 WeakPolarHBondContact O-CB 3.39Å; F824-F827 PolarHBondContact O-N 2.84Å; R825-F827 PolarHBondContact O-N 2.92Å; R825-F827 VanDerWaalsContact O-N 3.13Å; F827-R830 PolarHBondContact O-N 2.91Å; F827-S831 WeakPolarHBondContact CE1-OG 3.36Å; F827-S831 WeakPolarHBondContact O-CB 3.36Å; F827-S831 PolarHBondContact O-N 2.99Å; F827-S831 PolarHBondContact O-OG 3.18Å
828	V	92.7	Very high	89.2	Confident	7 Å²	7	79.6 Å²	79.6	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-55	-60.7	172.7	167.3	0	0	0	0	111	Y752 L763 F824 R825 R830 S831 E832 F842	Y752-V828 HydrophobicContact CD2-CG2 4.26Å; Y752-V828 HydrophobicContact CG-CG2 4.11Å; L763-V828 HydrophobicContact CD2-CG2 3.61Å; F824-V828 PolarHBondContact O-N 2.83Å; R825-V828 PolarHBondContact O-N 2.88Å; R825-V828 VanDerWaalsContact O-N 3.14Å; V828-R830 PolarHBondContact O-N 2.96Å; V828-S831 WeakPolarHBondContact O-CA 3.47Å; V828-S831 WeakPolarHBondContact O-CB 3.4Å; V828-S831 PolarHBondContact O-N 2.79Å; V828-E832 HydrophobicContact CG1-CG 4.43Å; V828-E832 WeakPolarHBondContact O-CG 3.17Å; V828-E832 PolarHBondContact O-N 3.05Å; V828-F842 HydrophobicContact CB-CG 4.44Å; V828-F842 HydrophobicContact CG1-CB 3.58Å; V828-F842 HydrophobicContact CG1-CD2 3.87Å; V828-F842 HydrophobicContact CG1-CG 3.78Å; V828-F842 HydrophobicContact CG2-CB 4.39Å; V828-F842 HydrophobicContact CG2-CD1 4.05Å; V828-F842 HydrophobicContact CG2-CD2 4.46Å; V828-F842 HydrophobicContact CG2-CE1 4.43Å; V828-F842 HydrophobicContact CG2-CG 4.05Å
829	D	90.8	Very high	89.1	Confident	69 Å²	69	80.8 Å²	80.8	37%	0.369	37%	0.371	S	S	.	.	H	α-helix	trans	-51.2	-34.2	-177.1	-56.8	-24.2	0	0	0	111.9	R825 N833	R825-D829 PolarHBondContact O-N 3.26Å; D829-N833 WeakPolarHBondContact O-CB 3.49Å; D829-N833 PolarHBondContact O-N 3.4Å; D829-N833 PolarHBondContact O-ND2 3.49Å
830	R	88	Confident	89.1	Confident	115 Å²	115	75.8 Å²	75.8	43%	0.434	35%	0.348	S	S	.	.	H	α-helix	trans	-86.2	-31.3	-179.3	-65.6	-176.9	-160.1	-168.5	11.8	113.4	F703 S826 F827 V828 L834	F703-R830 HydrophobicContact CD2-CB 3.79Å; F703-R830 HydrophobicContact CD2-CG 4.47Å; F703-R830 VanDerWaalsContact CE1-NH1 3.34Å; F703-R830 HydrophobicContact CE2-CB 4.01Å; F703-R830 HydrophobicContact CE2-CG 4.41Å; F703-R830 HydrophobicContact CG-CB 4.32Å; S826-R830 VanDerWaalsContact O-CD 3.23Å; S826-R830 WeakPolarHBondContact O-CD 3.36Å; S826-R830 VanDerWaalsContact O-CG 3.24Å; S826-R830 WeakPolarHBondContact O-CG 3.33Å; S826-R830 PolarHBondContact O-NE 2.81Å; S826-R830 PolarHBondContact OG-NE 3.4Å; S826-R830 PolarHBondContact OG-NH2 2.78Å; F827-R830 PolarHBondContact O-N 2.91Å; V828-R830 PolarHBondContact O-N 2.96Å; R830-L834 WeakPolarHBondContact O-CB 3.49Å; R830-L834 PolarHBondContact O-N 2.86Å
831	S	89.5	Confident	89.1	Confident	0 Å²	0	81 Å²	81	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-68.2	-44.7	176.6	-59.9	0	0	0	0	109.9	F827 V828 L834 A835	F827-S831 WeakPolarHBondContact CE1-OG 3.36Å; F827-S831 WeakPolarHBondContact O-CB 3.36Å; F827-S831 PolarHBondContact O-N 2.99Å; F827-S831 PolarHBondContact O-OG 3.18Å; V828-S831 WeakPolarHBondContact O-CA 3.47Å; V828-S831 WeakPolarHBondContact O-CB 3.4Å; V828-S831 PolarHBondContact O-N 2.79Å; S831-L834 PolarHBondContact O-N 3.14Å; S831-A835 WeakPolarHBondContact O-CB 3.24Å; S831-A835 PolarHBondContact O-N 3.06Å
832	E	90.3	Very high	89.3	Confident	50 Å²	50	79.3 Å²	79.3	23%	0.234	37%	0.365	C	S	.	.	H	α-helix	trans	-58.8	-48.9	172.1	-62.6	174.2	153.9	0	0	111.3	V828 L834 A835 R836 F842	V828-E832 HydrophobicContact CG1-CG 4.43Å; V828-E832 WeakPolarHBondContact O-CG 3.17Å; V828-E832 PolarHBondContact O-N 3.05Å; E832-L834 PolarHBondContact O-N 2.86Å; E832-A835 CarbonylContact O-C 3.56Å; E832-A835 PolarHBondContact O-N 2.79Å; E832-R836 WeakPolarHBondContact O-CA 3.45Å; E832-R836 WeakPolarHBondContact O-CB 3.27Å; E832-R836 PolarHBondContact O-N 3.2Å; E832-F842 HydrophobicContact CG-CD2 3.76Å; E832-F842 HydrophobicContact CG-CE2 4.39Å; E832-F842 PolarHBondContact OE1-N 2.76Å
833	N	87.5	Confident	89.4	Confident	117 Å²	117	73.9 Å²	73.9	63%	0.626	34%	0.338	S	S	*	.	H	α-helix	trans	-61.6	-27.4	178.1	-89.2	-76.5	0	0	0	113.8	D829	D829-N833 WeakPolarHBondContact O-CB 3.49Å; D829-N833 PolarHBondContact O-N 3.4Å; D829-N833 PolarHBondContact O-ND2 3.49Å
834	L	85.8	Confident	89.4	Confident	65 Å²	65	74.7 Å²	74.7	34%	0.34	34%	0.338	S	S	.	.	H	α-helix	trans	-82.8	-43.2	174.7	-176.1	59.7	0	0	0	111.8	A725 H726 R830 S831 E832	A725-L834 HydrophobicContact CB-CD2 4.23Å; H726-L834 WeakPolarHBondContact O-CD2 3.4Å; R830-L834 WeakPolarHBondContact O-CB 3.49Å; R830-L834 PolarHBondContact O-N 2.86Å; S831-L834 PolarHBondContact O-N 3.14Å; E832-L834 PolarHBondContact O-N 2.86Å
835	A	85.4	Confident	89.4	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-85.4	0.2	-176.1	0	0	0	0	0	114.1	Y744 S831 E832 R837 Y838 L840	Y744-A835 HydrophobicContact CD1-CB 4.01Å; Y744-A835 HydrophobicContact CD2-CB 3.86Å; Y744-A835 HydrophobicContact CE1-CB 3.94Å; Y744-A835 HydrophobicContact CE2-CB 3.8Å; Y744-A835 HydrophobicContact CG-CB 3.98Å; S831-A835 WeakPolarHBondContact O-CB 3.24Å; S831-A835 PolarHBondContact O-N 3.06Å; E832-A835 CarbonylContact O-C 3.56Å; E832-A835 PolarHBondContact O-N 2.79Å; A835-R837 PolarHBondContact O-N 3.24Å; A835-Y838 WeakPolarHBondContact O-CA 3.49Å; A835-Y838 WeakPolarHBondContact O-CB 3.25Å; A835-Y838 PolarHBondContact O-N 3.2Å; A835-L840 HydrophobicContact CB-CB 3.73Å; A835-L840 HydrophobicContact CB-CD2 3.69Å; A835-L840 HydrophobicContact CB-CG 4.33Å
836	R	83.8	Confident	89.4	Confident	193 Å²	193	72.1 Å²	72.1	73%	0.728	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-10.4	179.6	-168.3	170.4	-179.3	170	6	116.6	E832	E832-R836 WeakPolarHBondContact O-CA 3.45Å; E832-R836 WeakPolarHBondContact O-CB 3.27Å; E832-R836 PolarHBondContact O-N 3.2Å
837	R	85.8	Confident	89.3	Confident	233 Å²	233	75 Å²	75	88%	0.879	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.3	171.7	-61.5	-175.7	-175.6	176.5	3.2	114.1	A835	A835-R837 PolarHBondContact O-N 3.24Å
838	Y	85.4	Confident	89	Confident	100 Å²	100	84 Å²	84	39%	0.392	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	6.7	-175.2	-60.2	-85.9	0	0	0	112.3	Y744 N745 A835 L840	Y744-Y838 AromaticContact CD2-CD2 3.6Å; Y744-Y838 HydrophobicContact CD2-CD2 3.6Å; Y744-Y838 AromaticContact CD2-CE2 3.78Å; Y744-Y838 HydrophobicContact CD2-CE2 3.78Å; Y744-Y838 HydrophobicContact CD2-CG 4.32Å; Y744-Y838 HydrophobicContact CG-CD2 4.18Å; Y744-Y838 HydrophobicContact CG-CG 4.47Å; N745-Y838 HydrophobicContact CB-CD1 4.48Å; A835-Y838 WeakPolarHBondContact O-CA 3.49Å; A835-Y838 WeakPolarHBondContact O-CB 3.25Å; A835-Y838 PolarHBondContact O-N 3.2Å; Y838-L840 VanDerWaalsContact C-N 3.32Å; Y838-L840 PolarHBondContact O-N 2.84Å
839	D	84.3	Confident	88.9	Confident	156 Å²	156	87.4 Å²	87.4	83%	0.834	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	38.8	-179.4	-116.6	18.4	0	0	0	114.6
840	L	88.7	Confident	88.9	Confident	18 Å²	18	85.1 Å²	85.1	9%	0.094	39%	0.39	C	S	.	.			trans	-85.6	110.7	175.4	-174.3	73.5	0	0	0	111.4	F730 Y744 I747 A750 A835 Y838 F842	F730-L840 HydrophobicContact CE2-CD2 4.05Å; F730-L840 HydrophobicContact CZ-CD2 4.07Å; Y744-L840 HydrophobicContact CD1-CD2 3.76Å; Y744-L840 HydrophobicContact CE1-CD2 4.02Å; I747-L840 HydrophobicContact CB-CD1 4.22Å; I747-L840 HydrophobicContact CD1-CD1 4.01Å; I747-L840 HydrophobicContact CD1-CD2 4.36Å; I747-L840 HydrophobicContact CG2-CD1 3.74Å; A750-L840 HydrophobicContact CB-CD1 3.84Å; A835-L840 HydrophobicContact CB-CB 3.73Å; A835-L840 HydrophobicContact CB-CD2 3.69Å; A835-L840 HydrophobicContact CB-CG 4.33Å; Y838-L840 VanDerWaalsContact C-N 3.32Å; Y838-L840 PolarHBondContact O-N 2.84Å; L840-F842 HydrophobicContact CD2-CE2 4.07Å; L840-F842 HydrophobicContact CG-CE2 4.39Å
841	E	90.8	Very high	89.2	Confident	137 Å²	137	80.2 Å²	80.2	64%	0.64	37%	0.372	S	S	*	.			trans	-111.7	147.2	168	-176	168	170.3	0	0	109.6
842	F	93.3	Very high	89.4	Confident	8 Å²	8	85.1 Å²	85.1	4%	0.035	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	97.7	173.7	-78.3	-101.4	0	0	0	111	F730 A750 L763 F765 V828 E832 L840	F730-F842 HydrophobicContact CE2-CZ 4.43Å; F730-F842 HydrophobicContact CZ-CE2 4.34Å; F730-F842 AromaticContact CZ-CZ 3.87Å; F730-F842 HydrophobicContact CZ-CZ 3.87Å; A750-F842 HydrophobicContact CB-CD1 3.85Å; A750-F842 HydrophobicContact CB-CE1 3.91Å; A750-F842 HydrophobicContact CB-CG 4.18Å; A750-F842 HydrophobicContact CB-CZ 4.29Å; A750-F842 CarbonylContact O-C 3.55Å; A750-F842 WeakPolarHBondContact O-CA 3.41Å; L763-F842 HydrophobicContact CD2-CD1 4.01Å; L763-F842 HydrophobicContact CD2-CE1 3.88Å; F765-F842 AromaticContact CE1-CE1 3.63Å; F765-F842 HydrophobicContact CE1-CE1 3.63Å; F765-F842 AromaticContact CE1-CZ 3.63Å; F765-F842 HydrophobicContact CE1-CZ 3.63Å; F765-F842 AromaticContact CZ-CE1 3.79Å; F765-F842 HydrophobicContact CZ-CE1 3.79Å; F765-F842 AromaticContact CZ-CZ 3.78Å; F765-F842 HydrophobicContact CZ-CZ 3.78Å; V828-F842 HydrophobicContact CB-CG 4.44Å; V828-F842 HydrophobicContact CG1-CB 3.58Å; V828-F842 HydrophobicContact CG1-CD2 3.87Å; V828-F842 HydrophobicContact CG1-CG 3.78Å; V828-F842 HydrophobicContact CG2-CB 4.39Å; V828-F842 HydrophobicContact CG2-CD1 4.05Å; V828-F842 HydrophobicContact CG2-CD2 4.46Å; V828-F842 HydrophobicContact CG2-CE1 4.43Å; V828-F842 HydrophobicContact CG2-CG 4.05Å; E832-F842 HydrophobicContact CG-CD2 3.76Å; E832-F842 HydrophobicContact CG-CE2 4.39Å; E832-F842 PolarHBondContact OE1-N 2.76Å; L840-F842 HydrophobicContact CD2-CE2 4.07Å; L840-F842 HydrophobicContact CG-CE2 4.39Å
843	E	93.6	Very high	89.6	Confident	24 Å²	24	82.7 Å²	82.7	11%	0.112	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	137.6	177.3	-70.9	-176.8	-125.5	0	0	111.6	A750 F751 Y752 T865 S866 S867	A750-E843 PolarHBondContact O-N 2.83Å; F751-E843 CarbonylContact C-O 3.5Å; F751-E843 VanDerWaalsContact CA-O 3.31Å; F751-E843 WeakPolarHBondContact CA-O 3.49Å; F751-E843 HydrophobicContact CD1-CB 3.86Å; F751-E843 HydrophobicContact CE1-CB 4.23Å; Y752-E843 PolarHBondContact N-O 2.92Å; E843-T865 WeakPolarHBondContact OE2-CB 3.38Å; E843-T865 PolarHBondContact OE2-OG1 2.88Å; E843-S866 WeakPolarHBondContact OE2-CA 3.37Å; E843-S866 WeakPolarHBondContact OE2-CB 3.47Å; E843-S866 PolarHBondContact OE2-N 3.25Å; E843-S867 WeakPolarHBondContact OE1-CB 3.45Å; E843-S867 PolarHBondContact OE1-OG 2.82Å; E843-S867 PolarHBondContact OE2-N 3.27Å; E843-S867 PolarHBondContact OE2-OG 2.79Å
844	T	93.1	Very high	89.9	Confident	66 Å²	66	78.2 Å²	78.2	41%	0.405	36%	0.361	S	S	.	.			trans	-110.1	126	177	-58.1	0	0	0	0	109.2
845	P	92.7	Very high	90.3	Very high	13 Å²	13	75.9 Å²	75.9	8%	0.084	35%	0.35	C	S	.	.			trans	-68.7	137.3	-174.9	24.7	-32.5	0	0	0	113.8	Y752 Q753 R847 M863 T865 I870	Y752-P845 WeakPolarHBondContact O-CD 3.5Å; Q753-P845 HydrophobicContact CB-CG 4.13Å; Q753-P845 HydrophobicContact CG-CG 3.96Å; P845-R847 PolarHBondContact O-N 3.09Å; P845-M863 HydrophobicContact CB-CB 3.76Å; P845-M863 HydrophobicContact CB-CE 4.27Å; P845-M863 HydrophobicContact CB-SD 4.14Å; P845-M863 HydrophobicContact CG-CE 4.34Å; P845-M863 HydrophobicContact CG-SD 4.44Å; P845-T865 HydrophobicContact CB-CG2 4.14Å; P845-I870 HydrophobicContact CB-CD1 4.17Å; P845-I870 HydrophobicContact CB-CG1 4.44Å; P845-I870 HydrophobicContact CG-CD1 4.38Å
846	F	91.8	Very high	90.6	Very high	97 Å²	97	80.5 Å²	80.5	43%	0.425	37%	0.37	S	S	.	.			trans	-79.9	81.2	179.1	-58.2	-60	0	0	0	110.7	E848 L849 P864 T865	F846-E848 PolarHBondContact O-N 3.38Å; F846-E848 VanDerWaalsContact O-N 3.09Å; F846-L849 HydrophobicContact CB-CB 4.29Å; F846-L849 HydrophobicContact CB-CD1 4.09Å; F846-L849 HydrophobicContact CB-CG 4.34Å; F846-L849 PolarHBondContact O-N 2.89Å; F846-P864 HydrophobicContact CB-CG 4.49Å; F846-P864 WeakPolarHBondContact CD2-O 3.31Å; F846-P864 PolarHBondContact N-O 3.31Å; F846-T865 WeakPolarHBondContact CE2-O 3.41Å
847	R	89.1	Confident	90.9	Very high	100 Å²	100	80.1 Å²	80.1	38%	0.377	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-55.2	-28.9	-178.6	-165.3	-179.5	-170.9	87.9	-7.4	114	E758 P845 L849 G850 L861 M863	E758-R847 IonicContact OE1-CZ 2.63Å; E758-R847 IonicContact OE1-NH1 2.8Å; E758-R847 PolarHBondContact OE1-NH1 3.13Å; E758-R847 IonicContact OE1-NH2 3.03Å; E758-R847 PolarHBondContact OE1-NH2 2.71Å; P845-R847 PolarHBondContact O-N 3.09Å; R847-L849 VanDerWaalsContact C-N 3.26Å; R847-L849 PolarHBondContact O-N 2.8Å; R847-G850 PolarHBondContact O-N 3.46Å; R847-L861 HydrophobicContact CG-CD2 4.36Å; R847-M863 HydrophobicContact CB-SD 4.1Å; R847-M863 HydrophobicContact CG-SD 4.05Å
848	E	86.9	Confident	91.1	Very high	196 Å²	196	71.3 Å²	71.3	92%	0.916	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-69.3	-21.1	177.2	-61.7	-172.9	171.8	0	0	113.6	F846	F846-E848 PolarHBondContact O-N 3.38Å; F846-E848 VanDerWaalsContact O-N 3.09Å
849	L	90.1	Very high	91.5	Very high	78 Å²	78	70.9 Å²	70.9	41%	0.408	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-99.6	8.9	173.7	-62.6	175.9	0	0	0	112.3	F846 R847 P864 L926	F846-L849 HydrophobicContact CB-CB 4.29Å; F846-L849 HydrophobicContact CB-CD1 4.09Å; F846-L849 HydrophobicContact CB-CG 4.34Å; F846-L849 PolarHBondContact O-N 2.89Å; R847-L849 VanDerWaalsContact C-N 3.26Å; R847-L849 PolarHBondContact O-N 2.8Å; L849-P864 HydrophobicContact CB-CG 3.56Å; L849-P864 HydrophobicContact CD1-CG 4.17Å; L849-P864 WeakPolarHBondContact O-CD 3.22Å; L849-L926 HydrophobicContact CD2-CD1 4.49Å
850	G	91.4	Very high	91.9	Very high	22 Å²	22	64 Å²	64	23%	0.227	31%	0.314	C	S	.	.			trans	-78.4	140.5	-176	0	0	0	0	0	113.4	R847 L862	R847-G850 PolarHBondContact O-N 3.46Å; G850-L862 CarbonylContact C-O 3.47Å; G850-L862 WeakPolarHBondContact CA-O 3.33Å
851	F	93.8	Very high	92.2	Very high	12 Å²	12	64.7 Å²	64.7	5%	0.053	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	158.8	178.2	59.9	-90.4	0	0	0	111.5	L862 L869 M902 I919 A923 V927 W930	F851-L862 HydrophobicContact CD2-CB 4.43Å; F851-L862 HydrophobicContact CD2-CD1 4.27Å; F851-L862 HydrophobicContact CE2-CB 4.15Å; F851-L862 HydrophobicContact CE2-CD1 3.83Å; F851-L862 HydrophobicContact CZ-CB 4.26Å; F851-L862 PolarHBondContact N-O 3.37Å; F851-L862 PolarHBondContact O-N 3.2Å; F851-L869 HydrophobicContact CE1-CD1 4.06Å; F851-L869 HydrophobicContact CZ-CD1 4.11Å; F851-L869 HydrophobicContact CZ-CD2 3.95Å; F851-M902 HydrophobicContact CE2-CE 3.96Å; F851-M902 HydrophobicContact CZ-CE 3.74Å; F851-I919 HydrophobicContact CD2-CG2 4.06Å; F851-I919 HydrophobicContact CE2-CD1 4.02Å; F851-A923 HydrophobicContact CB-CB 4.32Å; F851-V927 HydrophobicContact CD1-CG2 4.26Å; F851-V927 HydrophobicContact CE1-CG2 4.17Å; F851-V927 HydrophobicContact CE2-CG2 4.44Å; F851-V927 HydrophobicContact CG-CG2 4.45Å; F851-V927 HydrophobicContact CZ-CG2 4.26Å; F851-W930 HydrophobicContact CE1-CE3 4.47Å; F851-W930 HydrophobicContact CE1-CZ3 4.47Å
852	H	94.5	Very high	92.4	Very high	102 Å²	102	58.2 Å²	58.2	47%	0.472	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	139.2	179.7	-74	-70	0	0	0	111.8	T859 V860 P920	H852-T859 HydrophobicContact CB-CG2 4.1Å; H852-V860 WeakPolarHBondContact CA-O 3.43Å; H852-V860 PolarHBondContact ND1-O 3.48Å; H852-P920 VanDerWaalsContact O-CD 3.3Å; H852-P920 WeakPolarHBondContact O-CD 3.2Å
853	G	93.8	Very high	92.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	167.4	177.9	0	0	0	0	0	111.8	P855 T859 V860	G853-P855 VanDerWaalsContact O-CD 3.29Å; G853-P855 WeakPolarHBondContact O-CD 3.47Å; G853-T859 CarbonylContact O-C 3.56Å; G853-T859 WeakPolarHBondContact O-CA 3.34Å; G853-V860 PolarHBondContact N-O 3.04Å; G853-V860 PolarHBondContact O-N 3.21Å
854	C	94.6	Very high	92.4	Very high	22 Å²	22	56.9 Å²	56.9	15%	0.149	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-114.3	88.9	-176.4	-169.7	0	0	0	0	110.6	F856 S858 N917	C854-F856 VanDerWaalsContact C-N 3.27Å; C854-S858 WeakPolarHBondContact CA-O 3.32Å; C854-S858 PolarHBondContact SG-O 2.67Å; C854-S858 VanDerWaalsContact SG-O 3.39Å; C854-N917 HydrophobicContact CB-CB 4.4Å; C854-N917 WeakPolarHBondContact CB-O 3.31Å; C854-N917 PolarHBondContact N-O 3.24Å; C854-N917 PolarHBondContact O-N 2.85Å
855	P	93.4	Very high	92.4	Very high	17 Å²	17	54.1 Å²	54.1	11%	0.11	26%	0.264	C	S	.	.	S	Bend	trans	-76.1	-13.9	176.4	30.5	-34.4	0	0	0	113.7	G853 V860 F878 I916	G853-P855 VanDerWaalsContact O-CD 3.29Å; G853-P855 WeakPolarHBondContact O-CD 3.47Å; P855-V860 HydrophobicContact CG-CG2 3.81Å; P855-F878 HydrophobicContact CB-CB 4.42Å; P855-F878 HydrophobicContact CB-CD2 3.35Å; P855-F878 HydrophobicContact CB-CE2 3.54Å; P855-F878 HydrophobicContact CB-CG 3.87Å; P855-F878 HydrophobicContact CB-CZ 4.21Å; P855-F878 HydrophobicContact CG-CB 4.27Å; P855-F878 HydrophobicContact CG-CD2 4.12Å; P855-F878 HydrophobicContact CG-CG 4.2Å; P855-I916 HydrophobicContact CB-CG1 4.28Å
856	F	91.7	Very high	92.3	Very high	97 Å²	97	57.6 Å²	57.6	43%	0.425	29%	0.289	S	S	.	.	S	Bend	trans	-139.4	-103.8	-176.7	-61.2	-66.6	0	0	0	110.9	C854 P876 F878	C854-F856 VanDerWaalsContact C-N 3.27Å; F856-P876 HydrophobicContact CB-CG 4.38Å; F856-P876 HydrophobicContact CD1-CG 4.05Å; F856-P876 HydrophobicContact CD2-CG 3.68Å; F856-P876 HydrophobicContact CE1-CG 4.19Å; F856-P876 HydrophobicContact CE2-CB 4.19Å; F856-P876 HydrophobicContact CE2-CG 3.82Å; F856-P876 VanDerWaalsContact CE2-O 3.26Å; F856-P876 WeakPolarHBondContact CE2-O 3.36Å; F856-P876 HydrophobicContact CG-CG 3.79Å; F856-P876 HydrophobicContact CZ-CB 4.31Å; F856-P876 HydrophobicContact CZ-CG 4.07Å; F856-F878 HydrophobicContact CE2-CB 3.91Å; F856-F878 AromaticContact CE2-CD2 3.98Å; F856-F878 HydrophobicContact CE2-CD2 3.98Å; F856-F878 HydrophobicContact CE2-CG 4.46Å; F856-F878 HydrophobicContact CZ-CD2 4.03Å
857	R	89.8	Confident	92.3	Very high	185 Å²	185	53.9 Å²	53.9	70%	0.698	28%	0.275	S	S	*	.	S	Bend	trans	-122	-6.7	179.1	-62.4	-173.3	-177.5	124.8	-4.4	114.3	E1025	R857-E1025 IonicContact CZ-OE2 3.1Å; R857-E1025 IonicContact NH1-OE1 3.31Å; R857-E1025 IonicContact NH1-OE2 2.68Å; R857-E1025 PolarHBondContact NH1-OE2 3.02Å; R857-E1025 IonicContact NH2-OE2 3.93Å; R857-E1025 PolarHBondContact NH2-OE2 3.22Å
858	S	91.3	Very high	92.5	Very high	47 Å²	47	49.1 Å²	49.1	33%	0.329	26%	0.257	S	S	.	.	S	Bend	trans	-122.1	146.9	175.7	57.9	0	0	0	0	111.3	C854 V860 E874	C854-S858 WeakPolarHBondContact CA-O 3.32Å; C854-S858 PolarHBondContact SG-O 2.67Å; C854-S858 VanDerWaalsContact SG-O 3.39Å; S858-V860 PolarHBondContact O-N 3.47Å; S858-E874 WeakPolarHBondContact CB-OE2 3.37Å; S858-E874 PolarHBondContact OG-OE2 3.01Å
859	T	93	Very high	92.9	Very high	91 Å²	91	39.8 Å²	39.8	56%	0.558	21%	0.213	S	C	*	.			trans	-77.7	105.3	170.1	-53.7	0	0	0	0	109.1	H852 G853	H852-T859 HydrophobicContact CB-CG2 4.1Å; G853-T859 CarbonylContact O-C 3.56Å; G853-T859 WeakPolarHBondContact O-CA 3.34Å
860	V	93.3	Very high	93.1	Very high	12 Å²	12	36 Å²	36	7%	0.073	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	167.3	-179.3	-58.9	0	0	0	0	111.1	H852 G853 P855 S858 L862 S871 E874	H852-V860 WeakPolarHBondContact CA-O 3.43Å; H852-V860 PolarHBondContact ND1-O 3.48Å; G853-V860 PolarHBondContact N-O 3.04Å; G853-V860 PolarHBondContact O-N 3.21Å; P855-V860 HydrophobicContact CG-CG2 3.81Å; S858-V860 PolarHBondContact O-N 3.47Å; V860-L862 HydrophobicContact CG2-CG 4.18Å; V860-S871 WeakPolarHBondContact CG2-OG 3.47Å; V860-E874 HydrophobicContact CG1-CB 4.2Å; V860-E874 HydrophobicContact CG1-CG 4.37Å; V860-E874 WeakPolarHBondContact CG1-OE2 3.5Å
861	L	94.1	Very high	93.3	Very high	33 Å²	33	35.3 Å²	35.3	17%	0.173	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.7	162.9	-177	66.3	0	0	0	108.6	R847 M863 S871	R847-L861 HydrophobicContact CG-CD2 4.36Å; L861-M863 HydrophobicContact CD2-CG 4.17Å; L861-M863 HydrophobicContact CD2-SD 3.98Å; L861-M863 HydrophobicContact CG-CG 4.05Å; L861-M863 HydrophobicContact CG-SD 4.43Å; L861-S871 WeakPolarHBondContact O-CB 3.07Å; L861-S871 PolarHBondContact O-OG 2.93Å
862	L	94.8	Very high	93.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.4	170.7	-68.8	141.4	0	0	0	108.2	G850 F851 V860 L869 I870 F878 I916	G850-L862 CarbonylContact C-O 3.47Å; G850-L862 WeakPolarHBondContact CA-O 3.33Å; F851-L862 HydrophobicContact CD2-CB 4.43Å; F851-L862 HydrophobicContact CD2-CD1 4.27Å; F851-L862 HydrophobicContact CE2-CB 4.15Å; F851-L862 HydrophobicContact CE2-CD1 3.83Å; F851-L862 HydrophobicContact CZ-CB 4.26Å; F851-L862 PolarHBondContact N-O 3.37Å; F851-L862 PolarHBondContact O-N 3.2Å; V860-L862 HydrophobicContact CG2-CG 4.18Å; L862-L869 HydrophobicContact CB-CD1 4.18Å; L862-L869 HydrophobicContact CD2-CD2 4.33Å; L862-L869 HydrophobicContact CD2-CG 4.31Å; L862-I870 WeakPolarHBondContact CA-O 3.48Å; L862-F878 HydrophobicContact CD2-CD1 3.54Å; L862-F878 HydrophobicContact CD2-CE1 3.86Å; L862-F878 HydrophobicContact CD2-CG 4.31Å; L862-I916 HydrophobicContact CD1-CD1 3.77Å; L862-I916 HydrophobicContact CD1-CG2 3.53Å; L862-I916 HydrophobicContact CD2-CD1 3.77Å; L862-I916 HydrophobicContact CG-CD1 4.39Å
863	M	93.6	Very high	93.1	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.4	179.3	-64.7	167.7	-70.8	0	0	109.4	P845 R847 L861 I870	P845-M863 HydrophobicContact CB-CB 3.76Å; P845-M863 HydrophobicContact CB-CE 4.27Å; P845-M863 HydrophobicContact CB-SD 4.14Å; P845-M863 HydrophobicContact CG-CE 4.34Å; P845-M863 HydrophobicContact CG-SD 4.44Å; R847-M863 HydrophobicContact CB-SD 4.1Å; R847-M863 HydrophobicContact CG-SD 4.05Å; L861-M863 HydrophobicContact CD2-CG 4.17Å; L861-M863 HydrophobicContact CD2-SD 3.98Å; L861-M863 HydrophobicContact CG-CG 4.05Å; L861-M863 HydrophobicContact CG-SD 4.43Å; M863-I870 PolarHBondContact N-O 3.47Å; M863-I870 PolarHBondContact O-N 3.2Å
864	P	94.2	Very high	92.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.013	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	151.7	170.6	30.4	-32.6	0	0	0	110.6	F846 L849 A868 L869 W930	F846-P864 HydrophobicContact CB-CG 4.49Å; F846-P864 WeakPolarHBondContact CD2-O 3.31Å; F846-P864 PolarHBondContact N-O 3.31Å; L849-P864 HydrophobicContact CB-CG 3.56Å; L849-P864 HydrophobicContact CD1-CG 4.17Å; L849-P864 WeakPolarHBondContact O-CD 3.22Å; P864-A868 CarbonylContact C-O 3.57Å; P864-A868 WeakPolarHBondContact CA-O 3.3Å; P864-L869 HydrophobicContact CB-CD1 4.42Å; P864-W930 HydrophobicContact CB-CZ2 4.15Å
865	T	92.7	Very high	92.5	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.049	21%	0.205	C	C	.	.			trans	-115.6	-160.4	169.2	71	0	0	0	0	108.7	F751 E843 P845 F846 S867 A868 I870	F751-T865 HydrophobicContact CD1-CG2 3.87Å; F751-T865 HydrophobicContact CE1-CG2 3.9Å; E843-T865 WeakPolarHBondContact OE2-CB 3.38Å; E843-T865 PolarHBondContact OE2-OG1 2.88Å; P845-T865 HydrophobicContact CB-CG2 4.14Å; F846-T865 WeakPolarHBondContact CE2-O 3.41Å; T865-S867 PolarHBondContact OG1-N 3.38Å; T865-A868 PolarHBondContact N-O 2.58Å; T865-A868 PolarHBondContact OG1-N 2.85Å; T865-A868 PolarHBondContact OG1-O 3.42Å; T865-I870 HydrophobicContact CG2-CD1 3.71Å; T865-I870 HydrophobicContact CG2-CG1 3.89Å; T865-I870 HydrophobicContact CG2-CG2 4.2Å
866	S	89.7	Confident	92.4	Very high	86 Å²	86	41.9 Å²	41.9	60%	0.601	22%	0.224	S	C	*	.	S	Bend	trans	-73.6	-30.4	175.1	-55.7	0	0	0	0	112.8	E843	E843-S866 WeakPolarHBondContact OE2-CA 3.37Å; E843-S866 WeakPolarHBondContact OE2-CB 3.47Å; E843-S866 PolarHBondContact OE2-N 3.25Å
867	S	92.1	Very high	92.5	Very high	19 Å²	19	38.1 Å²	38.1	13%	0.133	21%	0.211	C	C	.	.	S	Bend	trans	-128.8	-5.6	-175.1	79.5	0	0	0	0	115.5	H749 E843 T865 L882	H749-S867 PolarHBondContact CE1-OG 2.84Å; H749-S867 PolarHBondContact NE2-OG 3.14Å; E843-S867 WeakPolarHBondContact OE1-CB 3.45Å; E843-S867 PolarHBondContact OE1-OG 2.82Å; E843-S867 PolarHBondContact OE2-N 3.27Å; E843-S867 PolarHBondContact OE2-OG 2.79Å; T865-S867 PolarHBondContact OG1-N 3.38Å; S867-L882 WeakPolarHBondContact O-CB 3.48Å; S867-L882 PolarHBondContact O-N 3.35Å
868	A	93.8	Very high	92.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.7	-171.5	0	0	0	0	0	113.6	F751 P864 T865 I870 V880	F751-A868 HydrophobicContact CE1-CB 4.05Å; F751-A868 HydrophobicContact CZ-CB 3.79Å; P864-A868 CarbonylContact C-O 3.57Å; P864-A868 WeakPolarHBondContact CA-O 3.3Å; T865-A868 PolarHBondContact N-O 2.58Å; T865-A868 PolarHBondContact OG1-N 2.85Å; T865-A868 PolarHBondContact OG1-O 3.42Å; A868-I870 HydrophobicContact CB-CG2 3.81Å; A868-V880 CarbonylContact C-O 3.49Å; A868-V880 WeakPolarHBondContact CA-O 3.41Å; A868-V880 WeakPolarHBondContact CB-O 3.42Å
869	L	95.3	Very high	92.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.4	157.7	-177.8	67.2	0	0	0	108.2	F851 L862 P864 F878 V880 M902 F904 I916 W930	F851-L869 HydrophobicContact CE1-CD1 4.06Å; F851-L869 HydrophobicContact CZ-CD1 4.11Å; F851-L869 HydrophobicContact CZ-CD2 3.95Å; L862-L869 HydrophobicContact CB-CD1 4.18Å; L862-L869 HydrophobicContact CD2-CD2 4.33Å; L862-L869 HydrophobicContact CD2-CG 4.31Å; P864-L869 HydrophobicContact CB-CD1 4.42Å; L869-F878 HydrophobicContact CD2-CE1 4.32Å; L869-V880 HydrophobicContact CB-CB 4.47Å; L869-V880 PolarHBondContact N-O 3.09Å; L869-V880 PolarHBondContact O-N 3.05Å; L869-M902 HydrophobicContact CD2-CE 4.1Å; L869-F904 HydrophobicContact CD2-CE2 3.92Å; L869-F904 HydrophobicContact CD2-CZ 3.63Å; L869-I916 HydrophobicContact CD2-CD1 3.77Å; L869-W930 HydrophobicContact CB-CH2 3.93Å; L869-W930 HydrophobicContact CB-CZ2 4.2Å; L869-W930 HydrophobicContact CD1-CH2 4.02Å; L869-W930 HydrophobicContact CD1-CZ2 4.24Å; L869-W930 HydrophobicContact CD2-CH2 3.86Å; L869-W930 HydrophobicContact CD2-CZ3 4.29Å; L869-W930 HydrophobicContact CG-CH2 4.15Å
870	I	95.1	Very high	93	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.2	-174.8	74.3	171.3	0	0	0	113.8	F751 P845 L862 M863 T865 A868 V872 F878 V879	F751-I870 HydrophobicContact CB-CD1 4.08Å; F751-I870 HydrophobicContact CD1-CD1 3.95Å; F751-I870 HydrophobicContact CD1-CG2 4.36Å; F751-I870 HydrophobicContact CD2-CD1 4.22Å; F751-I870 HydrophobicContact CD2-CG2 4.28Å; F751-I870 HydrophobicContact CE1-CD1 4.47Å; F751-I870 HydrophobicContact CE1-CG2 3.86Å; F751-I870 HydrophobicContact CE2-CG2 3.77Å; F751-I870 HydrophobicContact CG-CD1 3.81Å; F751-I870 HydrophobicContact CZ-CG2 3.53Å; P845-I870 HydrophobicContact CB-CD1 4.17Å; P845-I870 HydrophobicContact CB-CG1 4.44Å; P845-I870 HydrophobicContact CG-CD1 4.38Å; L862-I870 WeakPolarHBondContact CA-O 3.48Å; M863-I870 PolarHBondContact N-O 3.47Å; M863-I870 PolarHBondContact O-N 3.2Å; T865-I870 HydrophobicContact CG2-CD1 3.71Å; T865-I870 HydrophobicContact CG2-CG1 3.89Å; T865-I870 HydrophobicContact CG2-CG2 4.2Å; A868-I870 HydrophobicContact CB-CG2 3.81Å; I870-V872 HydrophobicContact CB-CG1 4.35Å; I870-V872 HydrophobicContact CD1-CG1 4.39Å; I870-V872 HydrophobicContact CD1-CG2 4.11Å; I870-F878 CarbonylContact C-O 3.56Å; I870-F878 VanDerWaalsContact CA-O 3.3Å; I870-F878 WeakPolarHBondContact CA-O 3.49Å; I870-V879 HydrophobicContact CG2-CG1 4.31Å; I870-V879 HydrophobicContact CG2-CG2 4.36Å
871	S	94.6	Very high	93.1	Very high	6 Å²	6	24.3 Å²	24.3	4%	0.042	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	112.4	153.3	-162.6	0	0	0	0	109.1	V860 L861 F878	V860-S871 WeakPolarHBondContact CG2-OG 3.47Å; L861-S871 WeakPolarHBondContact O-CB 3.07Å; L861-S871 PolarHBondContact O-OG 2.93Å; S871-F878 PolarHBondContact N-O 3.02Å; S871-F878 PolarHBondContact O-N 3.18Å
872	V	93.2	Very high	93	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.139	C	C	.	.			trans	-122.8	2.6	-171	-63.8	0	0	0	0	113.3	L762 H764 Q782 I870 A877 V879	L762-V872 HydrophobicContact CD1-CB 4.45Å; L762-V872 HydrophobicContact CD1-CG2 3.71Å; L762-V872 HydrophobicContact CD2-CG2 4.27Å; H764-V872 HydrophobicContact CB-CG1 4.35Å; Q782-V872 PolarHBondContact NE2-O 2.9Å; I870-V872 HydrophobicContact CB-CG1 4.35Å; I870-V872 HydrophobicContact CD1-CG1 4.39Å; I870-V872 HydrophobicContact CD1-CG2 4.11Å; V872-A877 HydrophobicContact CG1-CB 4.35Å; V872-V879 HydrophobicContact CG1-CG2 4.28Å
873	V	90.6	Very high	92.9	Very high	31 Å²	31	29.2 Å²	29.2	19%	0.188	17%	0.17	C	C	.	.	S	Bend	trans	-72.8	-49.4	179.4	-178	0	0	0	0	110.9	R711 E758 I760	R711-V873 PolarHBondContact NH1-O 2.9Å; R711-V873 VanDerWaalsContact NH1-O 3.09Å; E758-V873 HydrophobicContact CG-CG2 4.07Å; I760-V873 HydrophobicContact CD1-CG1 4.18Å; I760-V873 HydrophobicContact CG1-CG1 4.37Å
874	E	89.1	Confident	92.8	Very high	90 Å²	90	32.2 Å²	32.2	42%	0.421	18%	0.184	S	C	.	.	S	Bend	trans	-89.2	170.9	173.9	-66.3	-170.3	-171.3	0	0	111.6	S858 V860	S858-E874 WeakPolarHBondContact CB-OE2 3.37Å; S858-E874 PolarHBondContact OG-OE2 3.01Å; V860-E874 HydrophobicContact CG1-CB 4.2Å; V860-E874 HydrophobicContact CG1-CG 4.37Å; V860-E874 WeakPolarHBondContact CG1-OE2 3.5Å
875	L	87.8	Confident	92.8	Very high	91 Å²	91	32.2 Å²	32.2	48%	0.476	18%	0.184	S	C	.	.	S	Bend	trans	-124.2	144.6	173.2	-69.6	-179.8	0	0	0	110.2	R711 A877	R711-L875 HydrophobicContact CB-CD1 4.16Å; R711-L875 HydrophobicContact CG-CD1 3.84Å; L875-A877 HydrophobicContact CD2-CB 4.27Å
876	P	91.9	Very high	92.7	Very high	80 Å²	80	32.5 Å²	32.5	52%	0.519	19%	0.185	S	C	.	.	S	Bend	cis	-68.7	146.3	0.1	27.1	-32.4	0	0	0	112.8	F856	F856-P876 HydrophobicContact CB-CG 4.38Å; F856-P876 HydrophobicContact CD1-CG 4.05Å; F856-P876 HydrophobicContact CD2-CG 3.68Å; F856-P876 HydrophobicContact CE1-CG 4.19Å; F856-P876 HydrophobicContact CE2-CB 4.19Å; F856-P876 HydrophobicContact CE2-CG 3.82Å; F856-P876 VanDerWaalsContact CE2-O 3.26Å; F856-P876 WeakPolarHBondContact CE2-O 3.36Å; F856-P876 HydrophobicContact CG-CG 3.79Å; F856-P876 HydrophobicContact CZ-CB 4.31Å; F856-P876 HydrophobicContact CZ-CG 4.07Å
877	A	92.6	Very high	92.9	Very high	18 Å²	18	28.4 Å²	28.4	15%	0.149	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-71.9	137.3	-179.1	0	0	0	0	0	110.6	V872 L875	V872-A877 HydrophobicContact CG1-CB 4.35Å; L875-A877 HydrophobicContact CD2-CB 4.27Å
878	F	95	Very high	93	Very high	12 Å²	12	27.5 Å²	27.5	5%	0.053	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.6	175.1	-170.3	-99.2	0	0	0	109.8	P855 F856 L862 L869 I870 S871 V880 A914 I916	P855-F878 HydrophobicContact CB-CB 4.42Å; P855-F878 HydrophobicContact CB-CD2 3.35Å; P855-F878 HydrophobicContact CB-CE2 3.54Å; P855-F878 HydrophobicContact CB-CG 3.87Å; P855-F878 HydrophobicContact CB-CZ 4.21Å; P855-F878 HydrophobicContact CG-CB 4.27Å; P855-F878 HydrophobicContact CG-CD2 4.12Å; P855-F878 HydrophobicContact CG-CG 4.2Å; F856-F878 HydrophobicContact CE2-CB 3.91Å; F856-F878 AromaticContact CE2-CD2 3.98Å; F856-F878 HydrophobicContact CE2-CD2 3.98Å; F856-F878 HydrophobicContact CE2-CG 4.46Å; F856-F878 HydrophobicContact CZ-CD2 4.03Å; L862-F878 HydrophobicContact CD2-CD1 3.54Å; L862-F878 HydrophobicContact CD2-CE1 3.86Å; L862-F878 HydrophobicContact CD2-CG 4.31Å; L869-F878 HydrophobicContact CD2-CE1 4.32Å; I870-F878 CarbonylContact C-O 3.56Å; I870-F878 VanDerWaalsContact CA-O 3.3Å; I870-F878 WeakPolarHBondContact CA-O 3.49Å; S871-F878 PolarHBondContact N-O 3.02Å; S871-F878 PolarHBondContact O-N 3.18Å; F878-V880 HydrophobicContact CD1-CG2 4.36Å; F878-V880 HydrophobicContact CE1-CB 4.19Å; F878-V880 HydrophobicContact CE1-CG2 3.49Å; F878-V880 VanDerWaalsContact CE1-CG2 3.49Å; F878-V880 HydrophobicContact CE2-CG2 4.12Å; F878-V880 HydrophobicContact CZ-CB 4.48Å; F878-V880 HydrophobicContact CZ-CG2 3.36Å; F878-A914 HydrophobicContact CE2-CB 4.25Å; F878-A914 HydrophobicContact CZ-CB 4.31Å; F878-I916 HydrophobicContact CD1-CD1 4.49Å; F878-I916 HydrophobicContact CE1-CD1 3.56Å; F878-I916 HydrophobicContact CE1-CG1 4.23Å; F878-I916 HydrophobicContact CE2-CG1 4.34Å; F878-I916 HydrophobicContact CZ-CD1 3.56Å; F878-I916 HydrophobicContact CZ-CG1 3.7Å
879	V	94.9	Very high	93	Very high	24 Å²	24	27.7 Å²	27.7	15%	0.145	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	111.8	175.9	-179.5	0	0	0	0	108.9	F751 H766 I870 V872	F751-V879 HydrophobicContact CE2-CG1 3.85Å; F751-V879 HydrophobicContact CE2-CG2 4.06Å; F751-V879 HydrophobicContact CZ-CG1 4.03Å; H766-V879 HydrophobicContact CB-CG1 4.23Å; I870-V879 HydrophobicContact CG2-CG1 4.31Å; I870-V879 HydrophobicContact CG2-CG2 4.36Å; V872-V879 HydrophobicContact CG1-CG2 4.28Å
880	V	94.8	Very high	93	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	114.9	173.3	168.2	0	0	0	0	108.7	A868 L869 F878 V885 F904 F906 A914	A868-V880 CarbonylContact C-O 3.49Å; A868-V880 WeakPolarHBondContact CA-O 3.41Å; A868-V880 WeakPolarHBondContact CB-O 3.42Å; L869-V880 HydrophobicContact CB-CB 4.47Å; L869-V880 PolarHBondContact N-O 3.09Å; L869-V880 PolarHBondContact O-N 3.05Å; F878-V880 HydrophobicContact CD1-CG2 4.36Å; F878-V880 HydrophobicContact CE1-CB 4.19Å; F878-V880 HydrophobicContact CE1-CG2 3.49Å; F878-V880 VanDerWaalsContact CE1-CG2 3.49Å; F878-V880 HydrophobicContact CE2-CG2 4.12Å; F878-V880 HydrophobicContact CZ-CB 4.48Å; F878-V880 HydrophobicContact CZ-CG2 3.36Å; V880-V885 HydrophobicContact CG1-CG2 3.94Å; V880-F904 HydrophobicContact CG1-CB 4.38Å; V880-F904 HydrophobicContact CG1-CD1 3.86Å; V880-F904 HydrophobicContact CG1-CD2 4.29Å; V880-F904 HydrophobicContact CG1-CE1 4.21Å; V880-F904 HydrophobicContact CG1-CG 3.91Å; V880-F904 HydrophobicContact CG2-CD2 4.3Å; V880-F906 HydrophobicContact CG1-CE1 4.18Å; V880-F906 HydrophobicContact CG1-CZ 4.49Å; V880-F906 HydrophobicContact CG2-CZ 4.43Å; V880-A914 HydrophobicContact CG2-CB 4.12Å
881	T	94.9	Very high	92.9	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.8	173.1	-53.2	0	0	0	0	109.9	K748 H749 D883 E884	K748-T881 WeakPolarHBondContact CE-OG1 3.29Å; K748-T881 PolarHBondContact NZ-OG1 2.99Å; H749-T881 WeakPolarHBondContact NE2-CG2 3.31Å; H749-T881 PolarHBondContact NE2-OG1 3.37Å; H749-T881 VanDerWaalsContact NE2-OG1 3.07Å; T881-D883 HydrophobicContact CG2-CB 4.15Å; T881-D883 PolarHBondContact O-N 2.92Å; T881-E884 HydrophobicContact CG2-CG 4.08Å; T881-E884 PolarHBondContact O-N 3.38Å; T881-E884 VanDerWaalsContact O-N 3.15Å
882	L	93.2	Very high	92.7	Very high	14 Å²	14	31.1 Å²	31.1	7%	0.073	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-65.5	-39.2	-176.2	-60.4	178.1	0	0	0	111.4	S867 E884 V885 W930 C934 I936	S867-L882 WeakPolarHBondContact O-CB 3.48Å; S867-L882 PolarHBondContact O-N 3.35Å; L882-E884 PolarHBondContact O-N 3.09Å; L882-E884 VanDerWaalsContact O-N 3.08Å; L882-V885 WeakPolarHBondContact O-CB 3.48Å; L882-V885 PolarHBondContact O-N 2.76Å; L882-W930 HydrophobicContact CD1-CZ2 4.18Å; L882-W930 HydrophobicContact CD2-CH2 4.05Å; L882-W930 HydrophobicContact CD2-CZ2 3.8Å; L882-C934 HydrophobicContact CD1-CB 4.48Å; L882-I936 HydrophobicContact CB-CD1 4.14Å; L882-I936 HydrophobicContact CD2-CD1 4.03Å
883	D	91.9	Very high	92.5	Very high	122 Å²	122	32.7 Å²	32.7	65%	0.652	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-58.5	-23.5	174.9	-64.7	-28.8	0	0	0	114.1	T881 K907	T881-D883 HydrophobicContact CG2-CB 4.15Å; T881-D883 PolarHBondContact O-N 2.92Å; D883-K907 WeakPolarHBondContact O-CD 3.39Å; D883-K907 PolarHBondContact O-NZ 3.16Å
884	E	92.7	Very high	92.3	Very high	66 Å²	66	33.8 Å²	33.8	31%	0.308	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-88.5	-10.5	178	-68.7	-176.9	169.7	0	0	113.5	K748 T881 L882 F906 K907 K911	K748-E884 WeakPolarHBondContact CE-OE1 3.46Å; K748-E884 IonicContact NZ-OE1 2.75Å; K748-E884 PolarHBondContact NZ-OE1 2.82Å; K748-E884 IonicContact NZ-OE2 3.18Å; K748-E884 PolarHBondContact NZ-OE2 2.82Å; T881-E884 HydrophobicContact CG2-CG 4.08Å; T881-E884 PolarHBondContact O-N 3.38Å; T881-E884 VanDerWaalsContact O-N 3.15Å; L882-E884 PolarHBondContact O-N 3.09Å; L882-E884 VanDerWaalsContact O-N 3.08Å; E884-F906 HydrophobicContact CB-CD1 4.16Å; E884-F906 CarbonylContact O-C 3.59Å; E884-F906 WeakPolarHBondContact O-CA 3.26Å; E884-K907 PolarHBondContact O-N 2.87Å; E884-K911 IonicContact OE2-NZ 2.69Å; E884-K911 PolarHBondContact OE2-NZ 3.46Å
885	V	93.5	Very high	91.8	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	135.5	180	-179.7	0	0	0	0	109.9	V880 L882 F887 V888 F904 V905 F906 K907 I936	V880-V885 HydrophobicContact CG1-CG2 3.94Å; L882-V885 WeakPolarHBondContact O-CB 3.48Å; L882-V885 PolarHBondContact O-N 2.76Å; V885-F887 WeakPolarHBondContact CG1-O 3.22Å; V885-V888 HydrophobicContact CG1-CG2 3.99Å; V885-F904 HydrophobicContact CG1-CD1 4.12Å; V885-F904 HydrophobicContact CG2-CD1 3.73Å; V885-F904 HydrophobicContact CG2-CE1 4.49Å; V885-V905 CarbonylContact C-O 3.52Å; V885-V905 WeakPolarHBondContact CA-O 3.48Å; V885-F906 HydrophobicContact CG2-CE1 4.43Å; V885-K907 WeakPolarHBondContact O-CD 3.46Å; V885-K907 WeakPolarHBondContact O-CE 3.25Å; V885-K907 PolarHBondContact O-NZ 3.14Å; V885-I936 HydrophobicContact CB-CD1 4.28Å; V885-I936 HydrophobicContact CG1-CD1 4.41Å; V885-I936 HydrophobicContact CG1-CG2 3.92Å
886	E	91	Very high	91.7	Very high	14 Å²	14	39 Å²	39	7%	0.065	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-56.7	171.9	-172.8	75.9	166.2	0	0	109.6	L528 S532 R535 V905 K907 Y909	L528-E886 HydrophobicContact CD1-CG 3.62Å; S532-E886 WeakPolarHBondContact CB-OE1 3.23Å; R535-E886 IonicContact CZ-OE1 3.49Å; R535-E886 IonicContact CZ-OE2 3.08Å; R535-E886 IonicContact NH1-OE1 2.87Å; R535-E886 PolarHBondContact NH1-OE1 3.15Å; R535-E886 IonicContact NH1-OE2 3.76Å; R535-E886 PolarHBondContact NH1-OE2 3.42Å; R535-E886 IonicContact NH2-OE1 2.64Å; R535-E886 PolarHBondContact NH2-OE1 3.02Å; R535-E886 IonicContact NH2-OE2 2.84Å; R535-E886 PolarHBondContact NH2-OE2 2.99Å; E886-V905 HydrophobicContact CB-CB 4.38Å; E886-V905 HydrophobicContact CB-CG1 4.05Å; E886-V905 HydrophobicContact CG-CG1 4.48Å; E886-V905 PolarHBondContact N-O 3.1Å; E886-K907 HydrophobicContact CB-CG 4.43Å; E886-K907 WeakPolarHBondContact OE2-CA 3.38Å; E886-K907 WeakPolarHBondContact OE2-CG 3.46Å; E886-Y909 PolarHBondContact OE1-OH 3.27Å
887	F	93.3	Very high	91.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	175.1	171.7	68.4	-88.8	0	0	0	110.1	L528 V885 M889 V905 F937 W947 W967 I970	L528-F887 HydrophobicContact CD1-CD1 4.24Å; L528-F887 HydrophobicContact CD2-CB 4.12Å; L528-F887 HydrophobicContact CD2-CD1 4.08Å; L528-F887 HydrophobicContact CD2-CG 4.27Å; V885-F887 WeakPolarHBondContact CG1-O 3.22Å; F887-M889 HydrophobicContact CE2-CB 4.46Å; F887-V905 HydrophobicContact CD1-CB 4.04Å; F887-V905 HydrophobicContact CD1-CG1 4.16Å; F887-V905 HydrophobicContact CD1-CG2 4.45Å; F887-V905 HydrophobicContact CD2-CG2 4.39Å; F887-V905 HydrophobicContact CE1-CB 3.84Å; F887-V905 HydrophobicContact CE1-CG1 3.72Å; F887-V905 HydrophobicContact CE1-CG2 3.92Å; F887-V905 HydrophobicContact CE2-CB 4.43Å; F887-V905 HydrophobicContact CE2-CG2 3.84Å; F887-V905 HydrophobicContact CG-CB 4.41Å; F887-V905 HydrophobicContact CZ-CB 4.05Å; F887-V905 HydrophobicContact CZ-CG1 4.22Å; F887-V905 HydrophobicContact CZ-CG2 3.58Å; F887-V905 PolarHBondContact O-N 2.96Å; F887-F937 WeakPolarHBondContact CA-O 3.24Å; F887-F937 HydrophobicContact CB-CB 4.16Å; F887-F937 HydrophobicContact CB-CD1 3.77Å; F887-F937 HydrophobicContact CB-CG 4.46Å; F887-F937 WeakPolarHBondContact CB-O 2.95Å; F887-F937 HydrophobicContact CG-CD1 4.35Å; F887-W947 HydrophobicContact CE2-CH2 4.07Å; F887-W947 AromaticContact CZ-CH2 4Å; F887-W947 HydrophobicContact CZ-CH2 4Å; F887-W947 HydrophobicContact CZ-CZ3 4.21Å; F887-W967 AromaticContact CE1-CD2 3.68Å; F887-W967 HydrophobicContact CE1-CD2 3.68Å; F887-W967 AromaticContact CE1-CE2 3.72Å; F887-W967 AromaticContact CE1-CE3 3.71Å; F887-W967 HydrophobicContact CE1-CE3 3.71Å; F887-W967 HydrophobicContact CE1-CG 4.39Å; F887-W967 AromaticContact CE1-CH2 3.92Å; F887-W967 HydrophobicContact CE1-CH2 3.92Å; F887-W967 AromaticContact CE1-CZ2 3.88Å; F887-W967 HydrophobicContact CE1-CZ2 3.88Å; F887-W967 AromaticContact CE1-CZ3 3.81Å; F887-W967 HydrophobicContact CE1-CZ3 3.81Å; F887-W967 HydrophobicContact CZ-CD2 4.13Å; F887-W967 AromaticContact CZ-CE3 3.65Å; F887-W967 HydrophobicContact CZ-CE3 3.65Å; F887-W967 AromaticContact CZ-CH2 3.94Å; F887-W967 HydrophobicContact CZ-CH2 3.94Å; F887-W967 HydrophobicContact CZ-CZ2 4.37Å; F887-W967 AromaticContact CZ-CZ3 3.53Å; F887-W967 HydrophobicContact CZ-CZ3 3.53Å; F887-I970 HydrophobicContact CD1-CD1 4.29Å; F887-I970 HydrophobicContact CD2-CD1 3.8Å; F887-I970 HydrophobicContact CE1-CD1 3.97Å; F887-I970 HydrophobicContact CE2-CD1 3.45Å; F887-I970 VanDerWaalsContact CE2-CD1 3.45Å; F887-I970 HydrophobicContact CG-CD1 4.22Å; F887-I970 HydrophobicContact CZ-CD1 3.53Å
888	V	94.9	Very high	91.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.7	174.4	174.5	0	0	0	0	111.3	V885 L890 M902 V903 F904 L931 I936 F937 Y938 A939	V885-V888 HydrophobicContact CG1-CG2 3.99Å; V888-L890 HydrophobicContact CG1-CD2 4.03Å; V888-M902 HydrophobicContact CG1-CG 3.37Å; V888-M902 HydrophobicContact CG1-SD 3.95Å; V888-V903 CarbonylContact C-O 3.57Å; V888-V903 VanDerWaalsContact CA-O 3.28Å; V888-V903 WeakPolarHBondContact CA-O 3.38Å; V888-F904 HydrophobicContact CG2-CD1 3.46Å; V888-F904 VanDerWaalsContact CG2-CD1 3.46Å; V888-F904 HydrophobicContact CG2-CE1 3.6Å; V888-F904 HydrophobicContact CG2-CG 4.33Å; V888-L931 HydrophobicContact CB-CD1 4Å; V888-L931 HydrophobicContact CB-CD2 4.32Å; V888-L931 HydrophobicContact CG1-CD1 3.85Å; V888-L931 HydrophobicContact CG2-CD1 4.37Å; V888-L931 HydrophobicContact CG2-CD2 3.79Å; V888-I936 HydrophobicContact CG2-CG2 3.98Å; V888-F937 PolarHBondContact N-O 2.86Å; V888-Y938 CarbonylContact O-C 3.51Å; V888-Y938 WeakPolarHBondContact O-CA 3.49Å; V888-A939 PolarHBondContact O-N 2.89Å
889	M	93.8	Very high	91.3	Very high	4 Å²	4	49 Å²	49	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134	167.3	-177.5	60.3	78.1	0	0	110	F887 E891 M902 V903 A939 A941 L945 W947 I970	F887-M889 HydrophobicContact CE2-CB 4.46Å; M889-E891 HydrophobicContact CG-CG 3.68Å; M889-M902 CarbonylContact O-C 3.59Å; M889-M902 WeakPolarHBondContact O-CA 3.23Å; M889-V903 HydrophobicContact CB-CB 4.23Å; M889-V903 PolarHBondContact N-O 2.96Å; M889-V903 PolarHBondContact O-N 3.32Å; M889-A939 HydrophobicContact CE-CB 3.7Å; M889-A939 HydrophobicContact SD-CB 3.8Å; M889-A941 HydrophobicContact CE-CB 4.44Å; M889-A941 HydrophobicContact CG-CB 4.41Å; M889-A941 HydrophobicContact SD-CB 3.68Å; M889-L945 HydrophobicContact CE-CD1 4.13Å; M889-W947 HydrophobicContact CB-CH2 4.15Å; M889-W947 HydrophobicContact CB-CZ2 3.69Å; M889-W947 HydrophobicContact CG-CZ2 4Å; M889-I970 HydrophobicContact CE-CB 4.28Å; M889-I970 HydrophobicContact CE-CG2 3.52Å
890	L	94.6	Very high	91.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	97.5	172	-56.9	177.6	0	0	0	108.2	V888 V893 F900 D901 M902 L924 V927 K928 Y938 A939 E940 A941	V888-L890 HydrophobicContact CG1-CD2 4.03Å; L890-V893 HydrophobicContact CB-CG2 3.83Å; L890-V893 WeakPolarHBondContact O-CG2 3.31Å; L890-F900 HydrophobicContact CD2-CD2 4.24Å; L890-F900 HydrophobicContact CD2-CE2 3.99Å; L890-D901 CarbonylContact C-O 3.56Å; L890-D901 WeakPolarHBondContact CA-O 3.31Å; L890-M902 HydrophobicContact CD2-CB 4.1Å; L890-M902 HydrophobicContact CD2-CG 3.83Å; L890-M902 HydrophobicContact CD2-SD 4.28Å; L890-L924 HydrophobicContact CD1-CD1 3.98Å; L890-V927 HydrophobicContact CD2-CG1 4.2Å; L890-K928 HydrophobicContact CD1-CG 4.04Å; L890-Y938 HydrophobicContact CD1-CD2 3.9Å; L890-Y938 HydrophobicContact CD1-CE2 4.45Å; L890-Y938 HydrophobicContact CD1-CG 4.4Å; L890-A939 PolarHBondContact N-O 2.89Å; L890-E940 HydrophobicContact CB-CG 4.31Å; L890-E940 HydrophobicContact CD1-CG 4.25Å; L890-E940 WeakPolarHBondContact O-CA 3.49Å; L890-A941 PolarHBondContact O-N 2.85Å
891	E	93.3	Very high	91.3	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	152.5	-175.7	-60.5	-171.3	162.1	0	0	112.4	M889 V893 F900 D901 V903 A941 S944 L945 W947	M889-E891 HydrophobicContact CG-CG 3.68Å; E891-V893 PolarHBondContact O-N 3.36Å; E891-F900 WeakPolarHBondContact O-CA 3.38Å; E891-F900 WeakPolarHBondContact O-CB 3.47Å; E891-D901 HydrophobicContact CB-CB 4.4Å; E891-D901 PolarHBondContact N-O 2.84Å; E891-D901 PolarHBondContact O-N 3.1Å; E891-V903 HydrophobicContact CG-CG2 4.09Å; E891-A941 CarbonylContact C-O 3.6Å; E891-A941 WeakPolarHBondContact CA-O 3.49Å; E891-S944 WeakPolarHBondContact OE2-CA 3.38Å; E891-S944 WeakPolarHBondContact OE2-CB 3.48Å; E891-S944 PolarHBondContact OE2-OG 3.36Å; E891-L945 PolarHBondContact OE1-N 3.31Å; E891-W947 PolarHBondContact OE1-NE1 3.4Å
892	R	90.3	Very high	91.3	Very high	75 Å²	75	48.1 Å²	48.1	28%	0.283	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	29.3	-179	-48.8	-168.4	-68.3	134.8	-1.8	112.8	S894 I897 D901 A941	R892-S894 PolarHBondContact O-N 2.99Å; R892-I897 HydrophobicContact CB-CD1 4.17Å; R892-D901 IonicContact CZ-OD1 2.86Å; R892-D901 IonicContact CZ-OD2 2.83Å; R892-D901 IonicContact NE-OD1 3.11Å; R892-D901 IonicContact NE-OD2 3.94Å; R892-D901 PolarHBondContact NE-OD2 3.41Å; R892-D901 IonicContact NH2-OD1 2.65Å; R892-D901 PolarHBondContact NH2-OD1 2.65Å; R892-D901 IonicContact NH2-OD2 2.99Å; R892-D901 PolarHBondContact NH2-OD2 2.71Å; R892-A941 PolarHBondContact N-O 3.34Å
893	V	89.1	Confident	91.4	Very high	33 Å²	33	47.5 Å²	47.5	20%	0.2	24%	0.242	C	C	.	.			trans	-74.7	112.6	170.1	-179.8	0	0	0	0	108.3	L890 E891 F900 L924 A941	L890-V893 HydrophobicContact CB-CG2 3.83Å; L890-V893 WeakPolarHBondContact O-CG2 3.31Å; E891-V893 PolarHBondContact O-N 3.36Å; V893-F900 HydrophobicContact CG2-CB 4.03Å; V893-L924 HydrophobicContact CG1-CD2 3.89Å; V893-L924 HydrophobicContact CG2-CD1 4.14Å; V893-A941 PolarHBondContact N-O 2.78Å
894	S	85.4	Confident	91.6	Very high	54 Å²	54	41.7 Å²	41.7	38%	0.378	21%	0.211	S	C	.	.			trans	-160.2	144.5	176.7	170.7	0	0	0	0	109.2	R892 S896 I897	R892-S894 PolarHBondContact O-N 2.99Å; S894-S896 PolarHBondContact O-N 2.74Å; S894-S896 PolarHBondContact OG-N 2.84Å; S894-S896 PolarHBondContact OG-OG 3.48Å; S894-I897 PolarHBondContact O-N 2.64Å
895	L	79.8	Confident	91.6	Very high	192 Å²	192	38.5 Å²	38.5	100%	1.005	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.2	176.7	-63.4	173.6	0	0	0	113.6
896	S	84.4	Confident	91.7	Very high	98 Å²	98	38.7 Å²	38.7	69%	0.685	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-21.3	177.9	66.2	0	0	0	0	114.4	S894	S894-S896 PolarHBondContact O-N 2.74Å; S894-S896 PolarHBondContact OG-N 2.84Å; S894-S896 PolarHBondContact OG-OG 3.48Å
897	I	87	Confident	91.7	Very high	59 Å²	59	42.7 Å²	42.7	30%	0.303	21%	0.214	S	C	.	.			trans	-105.3	132	-166.9	-48.8	-179.8	0	0	0	110.7	R892 S894 T899	R892-I897 HydrophobicContact CB-CD1 4.17Å; S894-I897 PolarHBondContact O-N 2.64Å; I897-T899 VanDerWaalsContact C-N 3.32Å; I897-T899 WeakPolarHBondContact CG2-O 3.48Å; I897-T899 PolarHBondContact O-N 3.3Å
898	R	90.9	Very high	91.5	Very high	218 Å²	218	46.5 Å²	46.5	82%	0.823	23%	0.234	S	C	*	.	S	Bend	trans	-82.6	-6.7	-177	-61.6	-175.9	-177.3	178.9	2.1	114.5	S921	R898-S921 PolarHBondContact O-N 3.49Å; R898-S921 PolarHBondContact O-OG 2.95Å
899	T	93.6	Very high	91.1	Very high	44 Å²	44	47.1 Å²	47.1	27%	0.27	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	133.8	-175.6	54.6	0	0	0	0	110.8	I897 I919	I897-T899 VanDerWaalsContact C-N 3.32Å; I897-T899 WeakPolarHBondContact CG2-O 3.48Å; I897-T899 PolarHBondContact O-N 3.3Å; T899-I919 CarbonylContact C-O 3.59Å; T899-I919 WeakPolarHBondContact CA-O 3.3Å
900	F	94.6	Very high	90.7	Very high	3 Å²	3	53.4 Å²	53.4	1%	0.013	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	167.2	171.5	66.2	-81.5	0	0	0	110.1	L890 E891 V893 S918 I919 P920 L924 V927	L890-F900 HydrophobicContact CD2-CD2 4.24Å; L890-F900 HydrophobicContact CD2-CE2 3.99Å; E891-F900 WeakPolarHBondContact O-CA 3.38Å; E891-F900 WeakPolarHBondContact O-CB 3.47Å; V893-F900 HydrophobicContact CG2-CB 4.03Å; F900-S918 PolarHBondContact O-N 3.49Å; F900-I919 HydrophobicContact CD1-CB 4.27Å; F900-I919 HydrophobicContact CD1-CG2 4.44Å; F900-I919 WeakPolarHBondContact CD1-O 3.42Å; F900-I919 HydrophobicContact CD2-CB 4.37Å; F900-I919 HydrophobicContact CD2-CD1 4.45Å; F900-I919 HydrophobicContact CE1-CB 3.9Å; F900-I919 HydrophobicContact CE1-CG2 3.6Å; F900-I919 HydrophobicContact CE2-CB 4.01Å; F900-I919 HydrophobicContact CE2-CD1 3.87Å; F900-I919 HydrophobicContact CE2-CG2 4.06Å; F900-I919 HydrophobicContact CG-CB 4.49Å; F900-I919 HydrophobicContact CZ-CB 3.77Å; F900-I919 HydrophobicContact CZ-CD1 4.27Å; F900-I919 HydrophobicContact CZ-CG2 3.39Å; F900-I919 PolarHBondContact N-O 2.94Å; F900-I919 PolarHBondContact O-N 3Å; F900-P920 WeakPolarHBondContact CE1-O 3.27Å; F900-L924 HydrophobicContact CD1-CB 4.15Å; F900-L924 HydrophobicContact CD1-CD1 4.06Å; F900-L924 HydrophobicContact CD2-CD1 4.11Å; F900-L924 HydrophobicContact CE1-CB 3.67Å; F900-L924 HydrophobicContact CE1-CD1 3.96Å; F900-L924 HydrophobicContact CE1-CG 4.42Å; F900-L924 HydrophobicContact CE2-CD1 4.01Å; F900-L924 HydrophobicContact CG-CD1 4.14Å; F900-L924 HydrophobicContact CZ-CB 4.17Å; F900-L924 HydrophobicContact CZ-CD1 3.93Å; F900-V927 HydrophobicContact CZ-CB 4.44Å; F900-V927 HydrophobicContact CZ-CG2 4.24Å
901	D	95.1	Very high	90.4	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.053	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	155.2	170	-54.7	-35.3	0	0	0	109.8	L890 E891 R892 I916 N917 S918	L890-D901 CarbonylContact C-O 3.56Å; L890-D901 WeakPolarHBondContact CA-O 3.31Å; E891-D901 HydrophobicContact CB-CB 4.4Å; E891-D901 PolarHBondContact N-O 2.84Å; E891-D901 PolarHBondContact O-N 3.1Å; R892-D901 IonicContact CZ-OD1 2.86Å; R892-D901 IonicContact CZ-OD2 2.83Å; R892-D901 IonicContact NE-OD1 3.11Å; R892-D901 IonicContact NE-OD2 3.94Å; R892-D901 PolarHBondContact NE-OD2 3.41Å; R892-D901 IonicContact NH2-OD1 2.65Å; R892-D901 PolarHBondContact NH2-OD1 2.65Å; R892-D901 IonicContact NH2-OD2 2.99Å; R892-D901 PolarHBondContact NH2-OD2 2.71Å; D901-I916 CarbonylContact C-O 3.56Å; D901-I916 WeakPolarHBondContact CA-O 3.39Å; D901-N917 WeakPolarHBondContact OD1-CA 3.27Å; D901-S918 PolarHBondContact OD1-N 3.07Å
902	M	95	Very high	90.3	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.9	-178.9	-179.9	176	55.8	0	0	110.5	F851 L869 V888 M889 L890 F904 M915 I916 I919 V927 W930	F851-M902 HydrophobicContact CE2-CE 3.96Å; F851-M902 HydrophobicContact CZ-CE 3.74Å; L869-M902 HydrophobicContact CD2-CE 4.1Å; V888-M902 HydrophobicContact CG1-CG 3.37Å; V888-M902 HydrophobicContact CG1-SD 3.95Å; M889-M902 CarbonylContact O-C 3.59Å; M889-M902 WeakPolarHBondContact O-CA 3.23Å; L890-M902 HydrophobicContact CD2-CB 4.1Å; L890-M902 HydrophobicContact CD2-CG 3.83Å; L890-M902 HydrophobicContact CD2-SD 4.28Å; M902-F904 HydrophobicContact CE-CE2 3.6Å; M902-F904 HydrophobicContact CE-CZ 3.56Å; M902-F904 HydrophobicContact CG-CE2 4.28Å; M902-F904 HydrophobicContact CG-CZ 4.38Å; M902-F904 HydrophobicContact SD-CE2 4.18Å; M902-F904 HydrophobicContact SD-CZ 3.81Å; M902-M915 CarbonylContact O-C 3.59Å; M902-I916 HydrophobicContact CE-CB 4.44Å; M902-I916 HydrophobicContact CE-CD1 3.81Å; M902-I916 HydrophobicContact CE-CG1 4.39Å; M902-I916 PolarHBondContact N-O 3.49Å; M902-I916 PolarHBondContact O-N 2.84Å; M902-I919 HydrophobicContact CB-CD1 3.6Å; M902-I919 HydrophobicContact CE-CD1 3.93Å; M902-V927 HydrophobicContact SD-CG1 3.63Å; M902-W930 HydrophobicContact SD-CZ3 4.44Å
903	V	95.6	Very high	90.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.2	-174.8	-169.9	0	0	0	0	110.7	V888 M889 E891 P913 M915 W947	V888-V903 CarbonylContact C-O 3.57Å; V888-V903 VanDerWaalsContact CA-O 3.28Å; V888-V903 WeakPolarHBondContact CA-O 3.38Å; M889-V903 HydrophobicContact CB-CB 4.23Å; M889-V903 PolarHBondContact N-O 2.96Å; M889-V903 PolarHBondContact O-N 3.32Å; E891-V903 HydrophobicContact CG-CG2 4.09Å; V903-P913 HydrophobicContact CG1-CB 3.82Å; V903-M915 HydrophobicContact CB-SD 4.1Å; V903-M915 HydrophobicContact CG1-SD 3.54Å; V903-M915 VanDerWaalsContact CG1-SD 3.54Å; V903-M915 HydrophobicContact CG2-CE 3.44Å; V903-M915 VanDerWaalsContact CG2-CE 3.44Å; V903-M915 HydrophobicContact CG2-SD 3.55Å; V903-M915 VanDerWaalsContact CG2-SD 3.55Å; V903-W947 HydrophobicContact CB-CZ2 4.39Å; V903-W947 HydrophobicContact CG1-CD2 4.15Å; V903-W947 HydrophobicContact CG1-CG 4.36Å; V903-W947 HydrophobicContact CG1-CZ2 4.25Å
904	F	95.3	Very high	90.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	110.8	172.2	-64	-85	0	0	0	110.3	L869 V880 V885 V888 M902 F906 P913 A914 I916 W930	L869-F904 HydrophobicContact CD2-CE2 3.92Å; L869-F904 HydrophobicContact CD2-CZ 3.63Å; V880-F904 HydrophobicContact CG1-CB 4.38Å; V880-F904 HydrophobicContact CG1-CD1 3.86Å; V880-F904 HydrophobicContact CG1-CD2 4.29Å; V880-F904 HydrophobicContact CG1-CE1 4.21Å; V880-F904 HydrophobicContact CG1-CG 3.91Å; V880-F904 HydrophobicContact CG2-CD2 4.3Å; V885-F904 HydrophobicContact CG1-CD1 4.12Å; V885-F904 HydrophobicContact CG2-CD1 3.73Å; V885-F904 HydrophobicContact CG2-CE1 4.49Å; V888-F904 HydrophobicContact CG2-CD1 3.46Å; V888-F904 VanDerWaalsContact CG2-CD1 3.46Å; V888-F904 HydrophobicContact CG2-CE1 3.6Å; V888-F904 HydrophobicContact CG2-CG 4.33Å; M902-F904 HydrophobicContact CE-CE2 3.6Å; M902-F904 HydrophobicContact CE-CZ 3.56Å; M902-F904 HydrophobicContact CG-CE2 4.28Å; M902-F904 HydrophobicContact CG-CZ 4.38Å; M902-F904 HydrophobicContact SD-CE2 4.18Å; M902-F904 HydrophobicContact SD-CZ 3.81Å; F904-F906 HydrophobicContact CB-CE1 4.42Å; F904-F906 HydrophobicContact CB-CZ 4.24Å; F904-P913 VanDerWaalsContact O-CA 3.24Å; F904-P913 WeakPolarHBondContact O-CA 3.5Å; F904-P913 WeakPolarHBondContact O-CB 3.29Å; F904-A914 HydrophobicContact CB-CB 4.33Å; F904-A914 PolarHBondContact N-O 2.86Å; F904-A914 PolarHBondContact O-N 2.71Å; F904-A914 VanDerWaalsContact O-N 3.11Å; F904-I916 HydrophobicContact CE2-CD1 3.83Å; F904-I916 HydrophobicContact CE2-CG1 4.19Å; F904-W930 HydrophobicContact CE1-CH2 4.37Å; F904-W930 HydrophobicContact CZ-CH2 4.2Å; F904-W930 HydrophobicContact CZ-CZ3 4.35Å
905	V	93.9	Very high	91.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	139.6	167.4	-179.5	0	0	0	0	108.2	V885 E886 F887 Y909 W947 M951	V885-V905 CarbonylContact C-O 3.52Å; V885-V905 WeakPolarHBondContact CA-O 3.48Å; E886-V905 HydrophobicContact CB-CB 4.38Å; E886-V905 HydrophobicContact CB-CG1 4.05Å; E886-V905 HydrophobicContact CG-CG1 4.48Å; E886-V905 PolarHBondContact N-O 3.1Å; F887-V905 HydrophobicContact CD1-CB 4.04Å; F887-V905 HydrophobicContact CD1-CG1 4.16Å; F887-V905 HydrophobicContact CD1-CG2 4.45Å; F887-V905 HydrophobicContact CD2-CG2 4.39Å; F887-V905 HydrophobicContact CE1-CB 3.84Å; F887-V905 HydrophobicContact CE1-CG1 3.72Å; F887-V905 HydrophobicContact CE1-CG2 3.92Å; F887-V905 HydrophobicContact CE2-CB 4.43Å; F887-V905 HydrophobicContact CE2-CG2 3.84Å; F887-V905 HydrophobicContact CG-CB 4.41Å; F887-V905 HydrophobicContact CZ-CB 4.05Å; F887-V905 HydrophobicContact CZ-CG1 4.22Å; F887-V905 HydrophobicContact CZ-CG2 3.58Å; F887-V905 PolarHBondContact O-N 2.96Å; V905-Y909 HydrophobicContact CG1-CE1 4.49Å; V905-W947 HydrophobicContact CG2-CE3 4.03Å; V905-W947 HydrophobicContact CG2-CH2 3.69Å; V905-W947 HydrophobicContact CG2-CZ3 3.4Å; V905-M951 HydrophobicContact CG1-CE 3.78Å
906	F	94.1	Very high	91.8	Very high	6 Å²	6	53.8 Å²	53.8	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	150	-175.1	-65.8	-66.2	0	0	0	112.8	V880 E884 V885 F904 D908 K911 K912 A914	V880-F906 HydrophobicContact CG1-CE1 4.18Å; V880-F906 HydrophobicContact CG1-CZ 4.49Å; V880-F906 HydrophobicContact CG2-CZ 4.43Å; E884-F906 HydrophobicContact CB-CD1 4.16Å; E884-F906 CarbonylContact O-C 3.59Å; E884-F906 WeakPolarHBondContact O-CA 3.26Å; V885-F906 HydrophobicContact CG2-CE1 4.43Å; F904-F906 HydrophobicContact CB-CE1 4.42Å; F904-F906 HydrophobicContact CB-CZ 4.24Å; F906-D908 PolarHBondContact O-N 3.1Å; F906-D908 VanDerWaalsContact O-N 3.13Å; F906-K911 HydrophobicContact CB-CB 4.29Å; F906-K911 HydrophobicContact CB-CD 4Å; F906-K911 HydrophobicContact CB-CG 4.46Å; F906-K911 HydrophobicContact CD1-CD 4.1Å; F906-K911 HydrophobicContact CD2-CB 4.19Å; F906-K911 HydrophobicContact CD2-CD 3.56Å; F906-K911 HydrophobicContact CD2-CG 3.65Å; F906-K911 HydrophobicContact CE2-CD 4.02Å; F906-K911 HydrophobicContact CE2-CG 4.14Å; F906-K911 HydrophobicContact CG-CB 4.5Å; F906-K911 HydrophobicContact CG-CD 3.61Å; F906-K911 HydrophobicContact CG-CG 4.15Å; F906-K911 HydrophobicContact CZ-CD 4.48Å; F906-K912 WeakPolarHBondContact CD2-O 3.35Å; F906-K912 WeakPolarHBondContact CE2-O 3.19Å; F906-A914 HydrophobicContact CE2-CB 4.05Å; F906-A914 HydrophobicContact CZ-CB 3.97Å
907	K	91.2	Very high	92.3	Very high	97 Å²	97	52 Å²	52	42%	0.422	24%	0.243	S	C	.	.	S	Bend	trans	-59.2	-19.1	174.8	-79.7	158.8	171.6	137.3	0	114.1	R535 D883 E884 V885 E886	R535-K907 PolarHBondContact NH1-O 2.79Å; D883-K907 WeakPolarHBondContact O-CD 3.39Å; D883-K907 PolarHBondContact O-NZ 3.16Å; E884-K907 PolarHBondContact O-N 2.87Å; V885-K907 WeakPolarHBondContact O-CD 3.46Å; V885-K907 WeakPolarHBondContact O-CE 3.25Å; V885-K907 PolarHBondContact O-NZ 3.14Å; E886-K907 HydrophobicContact CB-CG 4.43Å; E886-K907 WeakPolarHBondContact OE2-CA 3.38Å; E886-K907 WeakPolarHBondContact OE2-CG 3.46Å
908	D	88.8	Confident	92.6	Very high	80 Å²	80	51.8 Å²	51.8	43%	0.428	25%	0.247	S	C	.	.	S	Bend	trans	-104.7	107.1	168.5	170.6	19.6	0	0	0	109.5	F906 H910 K911	F906-D908 PolarHBondContact O-N 3.1Å; F906-D908 VanDerWaalsContact O-N 3.13Å; D908-H910 PolarHBondContact O-N 3.26Å; D908-H910 VanDerWaalsContact OD1-CB 3.31Å; D908-H910 WeakPolarHBondContact OD1-CB 3.43Å; D908-H910 IonicContact OD1-CD2 2.95Å; D908-H910 PolarHBondContact OD1-CD2 2.96Å; D908-H910 IonicContact OD1-CG 3.17Å; D908-H910 PolarHBondContact OD1-N 3.44Å; D908-K911 HydrophobicContact CB-CB 4.41Å; D908-K911 VanDerWaalsContact O-CB 3.31Å; D908-K911 WeakPolarHBondContact O-CB 3.14Å; D908-K911 PolarHBondContact O-N 2.94Å
909	Y	87.3	Confident	92.8	Very high	13 Å²	13	41.4 Å²	41.4	5%	0.051	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-12.6	-179.6	-64.3	-68.7	0	0	0	113.9	L536 E886 V905 K911 M951 I954 W967	L536-Y909 HydrophobicContact CD1-CE2 4.5Å; L536-Y909 HydrophobicContact CD2-CD2 4Å; L536-Y909 HydrophobicContact CD2-CE2 3.85Å; L536-Y909 HydrophobicContact CG-CE2 4.2Å; E886-Y909 PolarHBondContact OE1-OH 3.27Å; V905-Y909 HydrophobicContact CG1-CE1 4.49Å; Y909-K911 VanDerWaalsContact C-N 3.32Å; Y909-M951 HydrophobicContact CD1-CE 3.94Å; Y909-M951 HydrophobicContact CD1-SD 3.76Å; Y909-I954 HydrophobicContact CD1-CG2 4.4Å; Y909-I954 HydrophobicContact CG-CG2 4.39Å; Y909-W967 AromaticContact CE1-CZ2 3.85Å; Y909-W967 HydrophobicContact CE1-CZ2 3.85Å; Y909-W967 PolarHBondContact OH-NE1 3.32Å; Y909-W967 VanDerWaalsContact OH-NE1 3.14Å
910	H	85.6	Confident	92.8	Very high	137 Å²	137	41.6 Å²	41.6	63%	0.634	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-18.9	170.7	-57.5	-58	0	0	0	113.1	D908 L955	D908-H910 PolarHBondContact O-N 3.26Å; D908-H910 VanDerWaalsContact OD1-CB 3.31Å; D908-H910 WeakPolarHBondContact OD1-CB 3.43Å; D908-H910 IonicContact OD1-CD2 2.95Å; D908-H910 PolarHBondContact OD1-CD2 2.96Å; D908-H910 IonicContact OD1-CG 3.17Å; D908-H910 PolarHBondContact OD1-N 3.44Å; H910-L955 WeakPolarHBondContact ND1-CD2 3.43Å
911	K	88.4	Confident	92.5	Very high	67 Å²	67	44 Å²	44	29%	0.291	23%	0.227	S	C	.	.	S	Bend	trans	-82.8	120.9	176.5	-170.3	179.4	171.5	-160.4	0	109.3	E884 F906 D908 Y909	E884-K911 IonicContact OE2-NZ 2.69Å; E884-K911 PolarHBondContact OE2-NZ 3.46Å; F906-K911 HydrophobicContact CB-CB 4.29Å; F906-K911 HydrophobicContact CB-CD 4Å; F906-K911 HydrophobicContact CB-CG 4.46Å; F906-K911 HydrophobicContact CD1-CD 4.1Å; F906-K911 HydrophobicContact CD2-CB 4.19Å; F906-K911 HydrophobicContact CD2-CD 3.56Å; F906-K911 HydrophobicContact CD2-CG 3.65Å; F906-K911 HydrophobicContact CE2-CD 4.02Å; F906-K911 HydrophobicContact CE2-CG 4.14Å; F906-K911 HydrophobicContact CG-CB 4.5Å; F906-K911 HydrophobicContact CG-CD 3.61Å; F906-K911 HydrophobicContact CG-CG 4.15Å; F906-K911 HydrophobicContact CZ-CD 4.48Å; D908-K911 HydrophobicContact CB-CB 4.41Å; D908-K911 VanDerWaalsContact O-CB 3.31Å; D908-K911 WeakPolarHBondContact O-CB 3.14Å; D908-K911 PolarHBondContact O-N 2.94Å; Y909-K911 VanDerWaalsContact C-N 3.32Å
912	K	91	Very high	92.4	Very high	187 Å²	187	49.9 Å²	49.9	81%	0.813	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-55.4	135.4	175.1	-69.9	-173.2	177.1	-174.8	0	110.1	F906	F906-K912 WeakPolarHBondContact CD2-O 3.35Å; F906-K912 WeakPolarHBondContact CE2-O 3.19Å
913	P	93.2	Very high	92.2	Very high	27 Å²	27	50.5 Å²	50.5	18%	0.175	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-54	149	170.4	-29.8	38.4	0	0	0	112.7	V903 F904 W947 M951	V903-P913 HydrophobicContact CG1-CB 3.82Å; F904-P913 VanDerWaalsContact O-CA 3.24Å; F904-P913 WeakPolarHBondContact O-CA 3.5Å; F904-P913 WeakPolarHBondContact O-CB 3.29Å; P913-W947 HydrophobicContact CG-CB 4.29Å; P913-W947 HydrophobicContact CG-CE3 4.36Å; P913-M951 HydrophobicContact CG-CE 3.57Å; P913-M951 HydrophobicContact CG-CG 4.17Å
914	A	94	Very high	91.9	Very high	20 Å²	20	52 Å²	52	17%	0.165	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.5	176	0	0	0	0	0	110.1	F878 V880 F904 F906	F878-A914 HydrophobicContact CE2-CB 4.25Å; F878-A914 HydrophobicContact CZ-CB 4.31Å; V880-A914 HydrophobicContact CG2-CB 4.12Å; F904-A914 HydrophobicContact CB-CB 4.33Å; F904-A914 PolarHBondContact N-O 2.86Å; F904-A914 PolarHBondContact O-N 2.71Å; F904-A914 VanDerWaalsContact O-N 3.11Å; F906-A914 HydrophobicContact CE2-CB 4.05Å; F906-A914 HydrophobicContact CZ-CB 3.97Å
915	M	93.7	Very high	91.7	Very high	63 Å²	63	56.2 Å²	56.2	31%	0.31	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	146.1	176.3	-48.1	-67.3	-68.6	0	0	110.4	M902 V903	M902-M915 CarbonylContact O-C 3.59Å; V903-M915 HydrophobicContact CB-SD 4.1Å; V903-M915 HydrophobicContact CG1-SD 3.54Å; V903-M915 VanDerWaalsContact CG1-SD 3.54Å; V903-M915 HydrophobicContact CG2-CE 3.44Å; V903-M915 VanDerWaalsContact CG2-CE 3.44Å; V903-M915 HydrophobicContact CG2-SD 3.55Å; V903-M915 VanDerWaalsContact CG2-SD 3.55Å
916	I	95.7	Very high	91.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	112.5	163	-52.3	-167.4	0	0	0	108.2	P855 L862 L869 F878 D901 M902 F904 I919	P855-I916 HydrophobicContact CB-CG1 4.28Å; L862-I916 HydrophobicContact CD1-CD1 3.77Å; L862-I916 HydrophobicContact CD1-CG2 3.53Å; L862-I916 HydrophobicContact CD2-CD1 3.77Å; L862-I916 HydrophobicContact CG-CD1 4.39Å; L869-I916 HydrophobicContact CD2-CD1 3.77Å; F878-I916 HydrophobicContact CD1-CD1 4.49Å; F878-I916 HydrophobicContact CE1-CD1 3.56Å; F878-I916 HydrophobicContact CE1-CG1 4.23Å; F878-I916 HydrophobicContact CE2-CG1 4.34Å; F878-I916 HydrophobicContact CZ-CD1 3.56Å; F878-I916 HydrophobicContact CZ-CG1 3.7Å; D901-I916 CarbonylContact C-O 3.56Å; D901-I916 WeakPolarHBondContact CA-O 3.39Å; M902-I916 HydrophobicContact CE-CB 4.44Å; M902-I916 HydrophobicContact CE-CD1 3.81Å; M902-I916 HydrophobicContact CE-CG1 4.39Å; M902-I916 PolarHBondContact N-O 3.49Å; M902-I916 PolarHBondContact O-N 2.84Å; F904-I916 HydrophobicContact CE2-CD1 3.83Å; F904-I916 HydrophobicContact CE2-CG1 4.19Å; I916-I919 HydrophobicContact CB-CD1 4.24Å; I916-I919 HydrophobicContact CG2-CD1 3.94Å; I916-I919 HydrophobicContact CG2-CG1 3.99Å
917	N	94.5	Very high	91.4	Very high	60 Å²	60	59.5 Å²	59.5	32%	0.321	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	157.4	-170.3	-58.3	-9.1	0	0	0	112.3	C854 D901 I919	C854-N917 HydrophobicContact CB-CB 4.4Å; C854-N917 WeakPolarHBondContact CB-O 3.31Å; C854-N917 PolarHBondContact N-O 3.24Å; C854-N917 PolarHBondContact O-N 2.85Å; D901-N917 WeakPolarHBondContact OD1-CA 3.27Å; N917-I919 PolarHBondContact O-N 3.33Å
918	S	92.9	Very high	91.4	Very high	55 Å²	55	56.4 Å²	56.4	39%	0.385	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.9	40.3	169.9	-53.1	0	0	0	0	114.8	F900 D901	F900-S918 PolarHBondContact O-N 3.49Å; D901-S918 PolarHBondContact OD1-N 3.07Å
919	I	95.1	Very high	91.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	127.3	173.6	-55.2	171.6	0	0	0	108.3	F851 T899 F900 M902 I916 N917 S921 A923	F851-I919 HydrophobicContact CD2-CG2 4.06Å; F851-I919 HydrophobicContact CE2-CD1 4.02Å; T899-I919 CarbonylContact C-O 3.59Å; T899-I919 WeakPolarHBondContact CA-O 3.3Å; F900-I919 HydrophobicContact CD1-CB 4.27Å; F900-I919 HydrophobicContact CD1-CG2 4.44Å; F900-I919 WeakPolarHBondContact CD1-O 3.42Å; F900-I919 HydrophobicContact CD2-CB 4.37Å; F900-I919 HydrophobicContact CD2-CD1 4.45Å; F900-I919 HydrophobicContact CE1-CB 3.9Å; F900-I919 HydrophobicContact CE1-CG2 3.6Å; F900-I919 HydrophobicContact CE2-CB 4.01Å; F900-I919 HydrophobicContact CE2-CD1 3.87Å; F900-I919 HydrophobicContact CE2-CG2 4.06Å; F900-I919 HydrophobicContact CG-CB 4.49Å; F900-I919 HydrophobicContact CZ-CB 3.77Å; F900-I919 HydrophobicContact CZ-CD1 4.27Å; F900-I919 HydrophobicContact CZ-CG2 3.39Å; F900-I919 PolarHBondContact N-O 2.94Å; F900-I919 PolarHBondContact O-N 3Å; M902-I919 HydrophobicContact CB-CD1 3.6Å; M902-I919 HydrophobicContact CE-CD1 3.93Å; I916-I919 HydrophobicContact CB-CD1 4.24Å; I916-I919 HydrophobicContact CG2-CD1 3.94Å; I916-I919 HydrophobicContact CG2-CG1 3.99Å; N917-I919 PolarHBondContact O-N 3.33Å; I919-S921 PolarHBondContact O-N 3.05Å; I919-A923 HydrophobicContact CG2-CB 4.2Å
920	P	93.1	Very high	91.6	Very high	48 Å²	48	58.6 Å²	58.6	31%	0.312	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	134.3	179.8	-24.6	34.3	0	0	0	112.3	H852 F900 T922 A923	H852-P920 VanDerWaalsContact O-CD 3.3Å; H852-P920 WeakPolarHBondContact O-CD 3.2Å; F900-P920 WeakPolarHBondContact CE1-O 3.27Å; P920-T922 PolarHBondContact O-N 3.05Å; P920-A923 WeakPolarHBondContact O-CB 3.39Å; P920-A923 PolarHBondContact O-N 3.49Å
921	S	90.1	Very high	91.9	Very high	54 Å²	54	52 Å²	52	38%	0.378	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-60.6	-21	-178	59.4	0	0	0	0	114	R898 I919 A923 L924	R898-S921 PolarHBondContact O-N 3.49Å; R898-S921 PolarHBondContact O-OG 2.95Å; I919-S921 PolarHBondContact O-N 3.05Å; S921-A923 PolarHBondContact O-N 3.41Å; S921-A923 VanDerWaalsContact O-N 3.16Å; S921-L924 VanDerWaalsContact O-CB 3.25Å; S921-L924 WeakPolarHBondContact O-CB 3.23Å; S921-L924 PolarHBondContact O-N 3.4Å; S921-L924 VanDerWaalsContact O-N 3.09Å
922	T	91	Very high	92	Very high	134 Å²	134	49.9 Å²	49.9	82%	0.822	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-62.1	-15.1	169.8	55.1	0	0	0	0	114.5	P920	P920-T922 PolarHBondContact O-N 3.05Å
923	A	91.1	Very high	91.8	Very high	13 Å²	13	45.1 Å²	45.1	11%	0.107	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-100.1	-4.6	175.8	0	0	0	0	0	113.4	F851 I919 P920 S921 E925 L926 V927	F851-A923 HydrophobicContact CB-CB 4.32Å; I919-A923 HydrophobicContact CG2-CB 4.2Å; P920-A923 WeakPolarHBondContact O-CB 3.39Å; P920-A923 PolarHBondContact O-N 3.49Å; S921-A923 PolarHBondContact O-N 3.41Å; S921-A923 VanDerWaalsContact O-N 3.16Å; A923-E925 PolarHBondContact O-N 3.13Å; A923-L926 WeakPolarHBondContact O-CB 3.36Å; A923-L926 PolarHBondContact O-N 2.9Å; A923-V927 WeakPolarHBondContact O-CG2 3.21Å; A923-V927 PolarHBondContact O-N 2.8Å
924	L	90.8	Very high	91.6	Very high	32 Å²	32	46 Å²	46	17%	0.168	27%	0.265	C	S	.	.	H	α-helix	trans	-55.7	-51.4	-174.6	178.9	62.2	0	0	0	112.1	L890 V893 F900 S921 L926 V927 K928	L890-L924 HydrophobicContact CD1-CD1 3.98Å; V893-L924 HydrophobicContact CG1-CD2 3.89Å; V893-L924 HydrophobicContact CG2-CD1 4.14Å; F900-L924 HydrophobicContact CD1-CB 4.15Å; F900-L924 HydrophobicContact CD1-CD1 4.06Å; F900-L924 HydrophobicContact CD2-CD1 4.11Å; F900-L924 HydrophobicContact CE1-CB 3.67Å; F900-L924 HydrophobicContact CE1-CD1 3.96Å; F900-L924 HydrophobicContact CE1-CG 4.42Å; F900-L924 HydrophobicContact CE2-CD1 4.01Å; F900-L924 HydrophobicContact CG-CD1 4.14Å; F900-L924 HydrophobicContact CZ-CB 4.17Å; F900-L924 HydrophobicContact CZ-CD1 3.93Å; S921-L924 VanDerWaalsContact O-CB 3.25Å; S921-L924 WeakPolarHBondContact O-CB 3.23Å; S921-L924 PolarHBondContact O-N 3.4Å; S921-L924 VanDerWaalsContact O-N 3.09Å; L924-L926 VanDerWaalsContact C-N 3.33Å; L924-L926 PolarHBondContact O-N 3.02Å; L924-V927 PolarHBondContact O-N 3.45Å; L924-V927 VanDerWaalsContact O-N 3.15Å; L924-K928 WeakPolarHBondContact O-CG 3.45Å; L924-K928 PolarHBondContact O-N 3.33Å
925	E	89.3	Confident	91.4	Very high	88 Å²	88	49.7 Å²	49.7	41%	0.411	28%	0.282	S	S	.	.	H	α-helix	trans	-62.3	-38.2	179.9	-178.9	66.4	173.8	0	0	112.7	R517 A923 K928 E929	R517-E925 IonicContact CZ-OE1 3.78Å; R517-E925 IonicContact NH1-OE1 3.97Å; R517-E925 PolarHBondContact NH1-OE1 3.28Å; R517-E925 IonicContact NH1-OE2 3.45Å; R517-E925 IonicContact NH2-OE1 3.23Å; R517-E925 PolarHBondContact NH2-OE1 2.84Å; A923-E925 PolarHBondContact O-N 3.13Å; E925-K928 PolarHBondContact O-N 2.86Å; E925-E929 WeakPolarHBondContact O-CB 3.36Å; E925-E929 PolarHBondContact O-N 2.66Å
926	L	90.2	Very high	91.3	Very high	73 Å²	73	47.3 Å²	47.3	38%	0.382	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-39	175.3	179.8	66.9	0	0	0	111.4	L849 A923 L924 W930	L849-L926 HydrophobicContact CD2-CD1 4.49Å; A923-L926 WeakPolarHBondContact O-CB 3.36Å; A923-L926 PolarHBondContact O-N 2.9Å; L924-L926 VanDerWaalsContact C-N 3.33Å; L924-L926 PolarHBondContact O-N 3.02Å; L926-W930 VanDerWaalsContact O-CB 3.22Å; L926-W930 WeakPolarHBondContact O-CB 3.45Å; L926-W930 PolarHBondContact O-N 2.91Å
927	V	92.1	Very high	91.2	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-68.8	-43.3	175.8	172.4	0	0	0	0	111.1	F851 L890 F900 M902 A923 L924 E929 W930 L931	F851-V927 HydrophobicContact CD1-CG2 4.26Å; F851-V927 HydrophobicContact CE1-CG2 4.17Å; F851-V927 HydrophobicContact CE2-CG2 4.44Å; F851-V927 HydrophobicContact CG-CG2 4.45Å; F851-V927 HydrophobicContact CZ-CG2 4.26Å; L890-V927 HydrophobicContact CD2-CG1 4.2Å; F900-V927 HydrophobicContact CZ-CB 4.44Å; F900-V927 HydrophobicContact CZ-CG2 4.24Å; M902-V927 HydrophobicContact SD-CG1 3.63Å; A923-V927 WeakPolarHBondContact O-CG2 3.21Å; A923-V927 PolarHBondContact O-N 2.8Å; L924-V927 PolarHBondContact O-N 3.45Å; L924-V927 VanDerWaalsContact O-N 3.15Å; V927-E929 PolarHBondContact O-N 3.33Å; V927-W930 HydrophobicContact CG1-CE3 4.4Å; V927-W930 PolarHBondContact O-N 2.82Å; V927-L931 HydrophobicContact CG1-CD1 3.77Å; V927-L931 HydrophobicContact CG1-CG 4.26Å; V927-L931 WeakPolarHBondContact O-CB 3.21Å; V927-L931 VanDerWaalsContact O-CG 3.28Å; V927-L931 WeakPolarHBondContact O-CG 3.39Å; V927-L931 PolarHBondContact O-N 3.31Å
928	K	91.2	Very high	91.1	Very high	32 Å²	32	45.2 Å²	45.2	14%	0.139	26%	0.258	C	S	.	.	H	α-helix	trans	-58.8	-47.2	175.1	-69.8	-176.9	-175.7	-164	0	112.2	L890 L924 E925 L932 Y938 E940	L890-K928 HydrophobicContact CD1-CG 4.04Å; L924-K928 WeakPolarHBondContact O-CG 3.45Å; L924-K928 PolarHBondContact O-N 3.33Å; E925-K928 PolarHBondContact O-N 2.86Å; K928-L932 PolarHBondContact O-N 3.4Å; K928-Y938 HydrophobicContact CB-CE1 4.03Å; K928-Y938 HydrophobicContact CD-CE2 4.12Å; K928-Y938 HydrophobicContact CG-CE1 4.24Å; K928-Y938 HydrophobicContact CG-CE2 3.96Å; K928-E940 WeakPolarHBondContact CE-OE1 3.44Å; K928-E940 WeakPolarHBondContact CE-OE2 3.45Å; K928-E940 IonicContact NZ-OE1 2.91Å; K928-E940 PolarHBondContact NZ-OE1 3.44Å; K928-E940 IonicContact NZ-OE2 3.65Å; K928-E940 PolarHBondContact NZ-OE2 3.38Å
929	E	89.1	Confident	91.1	Very high	116 Å²	116	42.7 Å²	42.7	54%	0.542	24%	0.241	S	C	.	.	H	α-helix	trans	-66	-40.8	178	-173.3	169.8	176.1	0	0	111.7	R517 E925 V927 S933	R517-E929 IonicContact NH2-OE2 3.78Å; E925-E929 WeakPolarHBondContact O-CB 3.36Å; E925-E929 PolarHBondContact O-N 2.66Å; V927-E929 PolarHBondContact O-N 3.33Å; E929-S933 WeakPolarHBondContact O-CB 3.31Å; E929-S933 PolarHBondContact O-N 2.9Å
930	W	91.5	Very high	90.9	Very high	23 Å²	23	44.9 Å²	44.9	9%	0.087	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-48.6	175.4	169	56.1	0	0	0	112.6	F851 P864 L869 L882 M902 F904 L926 V927 L932 S933 C934	F851-W930 HydrophobicContact CE1-CE3 4.47Å; F851-W930 HydrophobicContact CE1-CZ3 4.47Å; P864-W930 HydrophobicContact CB-CZ2 4.15Å; L869-W930 HydrophobicContact CB-CH2 3.93Å; L869-W930 HydrophobicContact CB-CZ2 4.2Å; L869-W930 HydrophobicContact CD1-CH2 4.02Å; L869-W930 HydrophobicContact CD1-CZ2 4.24Å; L869-W930 HydrophobicContact CD2-CH2 3.86Å; L869-W930 HydrophobicContact CD2-CZ3 4.29Å; L869-W930 HydrophobicContact CG-CH2 4.15Å; L882-W930 HydrophobicContact CD1-CZ2 4.18Å; L882-W930 HydrophobicContact CD2-CH2 4.05Å; L882-W930 HydrophobicContact CD2-CZ2 3.8Å; M902-W930 HydrophobicContact SD-CZ3 4.44Å; F904-W930 HydrophobicContact CE1-CH2 4.37Å; F904-W930 HydrophobicContact CZ-CH2 4.2Å; F904-W930 HydrophobicContact CZ-CZ3 4.35Å; L926-W930 VanDerWaalsContact O-CB 3.22Å; L926-W930 WeakPolarHBondContact O-CB 3.45Å; L926-W930 PolarHBondContact O-N 2.91Å; V927-W930 HydrophobicContact CG1-CE3 4.4Å; V927-W930 PolarHBondContact O-N 2.82Å; W930-L932 VanDerWaalsContact C-N 3.35Å; W930-L932 PolarHBondContact O-N 3.27Å; W930-S933 WeakPolarHBondContact O-CA 3.48Å; W930-S933 WeakPolarHBondContact O-CB 3.48Å; W930-S933 PolarHBondContact O-N 3.35Å; W930-S933 PolarHBondContact O-OG 2.92Å; W930-C934 PolarHBondContact NE1-SG 3.22Å; W930-C934 PolarHBondContact O-N 2.86Å; W930-C934 VanDerWaalsContact O-N 3.11Å
931	L	91.8	Very high	90.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-42.7	-179.2	-70.6	169.4	0	0	0	112.1	V888 V927 S933 C934 D935 I936 Y938	V888-L931 HydrophobicContact CB-CD1 4Å; V888-L931 HydrophobicContact CB-CD2 4.32Å; V888-L931 HydrophobicContact CG1-CD1 3.85Å; V888-L931 HydrophobicContact CG2-CD1 4.37Å; V888-L931 HydrophobicContact CG2-CD2 3.79Å; V927-L931 HydrophobicContact CG1-CD1 3.77Å; V927-L931 HydrophobicContact CG1-CG 4.26Å; V927-L931 WeakPolarHBondContact O-CB 3.21Å; V927-L931 VanDerWaalsContact O-CG 3.28Å; V927-L931 WeakPolarHBondContact O-CG 3.39Å; V927-L931 PolarHBondContact O-N 3.31Å; L931-S933 VanDerWaalsContact C-N 3.34Å; L931-S933 PolarHBondContact O-N 3.3Å; L931-C934 CarbonylContact O-C 3.56Å; L931-C934 PolarHBondContact O-N 2.81Å; L931-D935 PolarHBondContact O-N 3.41Å; L931-I936 HydrophobicContact CD2-CB 4.43Å; L931-I936 HydrophobicContact CD2-CD1 4.49Å; L931-I936 HydrophobicContact CD2-CG2 4.23Å; L931-I936 PolarHBondContact O-N 3.32Å; L931-Y938 HydrophobicContact CB-CD1 4.25Å; L931-Y938 HydrophobicContact CD1-CD1 4.49Å; L931-Y938 HydrophobicContact CD1-CG 4.46Å
932	L	89.7	Confident	90.4	Very high	21 Å²	21	44.5 Å²	44.5	11%	0.11	25%	0.251	C	S	.	.	H	α-helix	trans	-66.5	-34	173.6	-69.7	172.8	0	0	0	112.7	R517 R520 L524 K928 W930 C934 D935 Y938	R517-L932 HydrophobicContact CB-CD1 3.78Å; R517-L932 HydrophobicContact CG-CD1 3.67Å; R520-L932 HydrophobicContact CG-CD2 4.37Å; L524-L932 HydrophobicContact CD1-CD2 3.97Å; K928-L932 PolarHBondContact O-N 3.4Å; W930-L932 VanDerWaalsContact C-N 3.35Å; W930-L932 PolarHBondContact O-N 3.27Å; L932-C934 PolarHBondContact O-N 2.87Å; L932-D935 PolarHBondContact O-N 3.21Å; L932-D935 VanDerWaalsContact O-N 3.14Å; L932-Y938 HydrophobicContact CD1-CE1 3.88Å; L932-Y938 HydrophobicContact CD2-CD1 4.46Å; L932-Y938 HydrophobicContact CD2-CE1 4.16Å; L932-Y938 HydrophobicContact CG-CD1 4.28Å; L932-Y938 HydrophobicContact CG-CE1 3.77Å
933	S	88.3	Confident	90.2	Very high	87 Å²	87	46 Å²	46	61%	0.608	25%	0.246	S	C	*	.	H	α-helix	trans	-67.7	-18.2	174.6	80.9	0	0	0	0	113.6	E929 W930 L931	E929-S933 WeakPolarHBondContact O-CB 3.31Å; E929-S933 PolarHBondContact O-N 2.9Å; W930-S933 WeakPolarHBondContact O-CA 3.48Å; W930-S933 WeakPolarHBondContact O-CB 3.48Å; W930-S933 PolarHBondContact O-N 3.35Å; W930-S933 PolarHBondContact O-OG 2.92Å; L931-S933 VanDerWaalsContact C-N 3.34Å; L931-S933 PolarHBondContact O-N 3.3Å
934	C	88	Confident	90.1	Very high	47 Å²	47	48.5 Å²	48.5	32%	0.318	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	8.9	174	-65	0	0	0	0	113.3	L882 W930 L931 L932 I936	L882-C934 HydrophobicContact CD1-CB 4.48Å; W930-C934 PolarHBondContact NE1-SG 3.22Å; W930-C934 PolarHBondContact O-N 2.86Å; W930-C934 VanDerWaalsContact O-N 3.11Å; L931-C934 CarbonylContact O-C 3.56Å; L931-C934 PolarHBondContact O-N 2.81Å; L932-C934 PolarHBondContact O-N 2.87Å; C934-I936 HydrophobicContact CB-CD1 4.07Å; C934-I936 HydrophobicContact CB-CG1 4.21Å; C934-I936 PolarHBondContact O-N 3.4Å
935	D	90.4	Very high	90	Very high	96 Å²	96	50 Å²	50	51%	0.513	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	35.4	-174.9	-70.9	-47.1	0	0	0	113.8	R520 L524 L931 L932	R520-D935 IonicContact CZ-OD1 3.02Å; R520-D935 IonicContact NE-OD1 3.37Å; R520-D935 PolarHBondContact NE-OD1 2.79Å; R520-D935 VanDerWaalsContact NH2-CG 3.32Å; R520-D935 IonicContact NH2-OD1 3.61Å; R520-D935 PolarHBondContact NH2-OD1 2.78Å; R520-D935 IonicContact NH2-OD2 2.67Å; L524-D935 HydrophobicContact CD2-CB 4.24Å; L524-D935 WeakPolarHBondContact CD2-O 3.47Å; L931-D935 PolarHBondContact O-N 3.41Å; L932-D935 PolarHBondContact O-N 3.21Å; L932-D935 VanDerWaalsContact O-N 3.14Å
936	I	91.6	Very high	90	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.067	28%	0.277	C	S	.	.			trans	-102.3	126.6	176.7	-64.1	173.1	0	0	0	109.8	L882 V885 V888 L931 C934	L882-I936 HydrophobicContact CB-CD1 4.14Å; L882-I936 HydrophobicContact CD2-CD1 4.03Å; V885-I936 HydrophobicContact CB-CD1 4.28Å; V885-I936 HydrophobicContact CG1-CD1 4.41Å; V885-I936 HydrophobicContact CG1-CG2 3.92Å; V888-I936 HydrophobicContact CG2-CG2 3.98Å; L931-I936 HydrophobicContact CD2-CB 4.43Å; L931-I936 HydrophobicContact CD2-CD1 4.49Å; L931-I936 HydrophobicContact CD2-CG2 4.23Å; L931-I936 PolarHBondContact O-N 3.32Å; C934-I936 HydrophobicContact CB-CD1 4.07Å; C934-I936 HydrophobicContact CB-CG1 4.21Å; C934-I936 PolarHBondContact O-N 3.4Å
937	F	92.7	Very high	90.1	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.026	26%	0.26	C	S	.	.			trans	-64.3	138.9	170.2	179.4	-105.7	0	0	0	110.7	R521 L524 F525 L528 F887 V888 A939 I970	R521-F937 HydrophobicContact CG-CD2 3.89Å; R521-F937 HydrophobicContact CG-CE2 3.42Å; R521-F937 VanDerWaalsContact CG-CE2 3.42Å; R521-F937 HydrophobicContact CG-CZ 4.38Å; R521-F937 VanDerWaalsContact O-CD2 3.29Å; R521-F937 WeakPolarHBondContact O-CD2 3.34Å; R521-F937 WeakPolarHBondContact O-CE2 3.38Å; L524-F937 HydrophobicContact CB-CB 4.11Å; L524-F937 HydrophobicContact CB-CD2 4.37Å; F525-F937 HydrophobicContact CB-CD2 3.9Å; F525-F937 HydrophobicContact CB-CE2 3.58Å; F525-F937 HydrophobicContact CB-CZ 4.19Å; F525-F937 HydrophobicContact CD2-CD1 4.43Å; F525-F937 HydrophobicContact CD2-CD2 4.41Å; F525-F937 AromaticContact CD2-CE1 3.83Å; F525-F937 HydrophobicContact CD2-CE1 3.83Å; F525-F937 AromaticContact CD2-CE2 3.79Å; F525-F937 HydrophobicContact CD2-CE2 3.79Å; F525-F937 AromaticContact CD2-CZ 3.49Å; F525-F937 HydrophobicContact CD2-CZ 3.49Å; F525-F937 VanDerWaalsContact CD2-CZ 3.49Å; F525-F937 HydrophobicContact CE2-CE1 4.4Å; F525-F937 HydrophobicContact CE2-CZ 4.21Å; F525-F937 HydrophobicContact CG-CE2 4.06Å; F525-F937 HydrophobicContact CG-CZ 4.16Å; L528-F937 HydrophobicContact CD2-CB 4.4Å; L528-F937 HydrophobicContact CD2-CD1 3.51Å; L528-F937 HydrophobicContact CD2-CE1 4.06Å; L528-F937 HydrophobicContact CD2-CG 4.1Å; F887-F937 WeakPolarHBondContact CA-O 3.24Å; F887-F937 HydrophobicContact CB-CB 4.16Å; F887-F937 HydrophobicContact CB-CD1 3.77Å; F887-F937 HydrophobicContact CB-CG 4.46Å; F887-F937 WeakPolarHBondContact CB-O 2.95Å; F887-F937 HydrophobicContact CG-CD1 4.35Å; V888-F937 PolarHBondContact N-O 2.86Å; F937-A939 HydrophobicContact CE1-CB 4.02Å; F937-A939 HydrophobicContact CZ-CB 4.4Å; F937-I970 HydrophobicContact CE1-CD1 3.98Å; F937-I970 HydrophobicContact CE1-CG1 4.24Å; F937-I970 WeakPolarHBondContact CZ-O 3.38Å
938	Y	93	Very high	89.8	Confident	10 Å²	10	52.6 Å²	52.6	4%	0.039	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.6	167.1	73.6	-97.6	0	0	0	112	R521 V888 L890 K928 L931 L932 E940	R521-Y938 PolarHBondContact NE-O 2.87Å; V888-Y938 CarbonylContact O-C 3.51Å; V888-Y938 WeakPolarHBondContact O-CA 3.49Å; L890-Y938 HydrophobicContact CD1-CD2 3.9Å; L890-Y938 HydrophobicContact CD1-CE2 4.45Å; L890-Y938 HydrophobicContact CD1-CG 4.4Å; K928-Y938 HydrophobicContact CB-CE1 4.03Å; K928-Y938 HydrophobicContact CD-CE2 4.12Å; K928-Y938 HydrophobicContact CG-CE1 4.24Å; K928-Y938 HydrophobicContact CG-CE2 3.96Å; L931-Y938 HydrophobicContact CB-CD1 4.25Å; L931-Y938 HydrophobicContact CD1-CD1 4.49Å; L931-Y938 HydrophobicContact CD1-CG 4.46Å; L932-Y938 HydrophobicContact CD1-CE1 3.88Å; L932-Y938 HydrophobicContact CD2-CD1 4.46Å; L932-Y938 HydrophobicContact CD2-CE1 4.16Å; L932-Y938 HydrophobicContact CG-CD1 4.28Å; L932-Y938 HydrophobicContact CG-CE1 3.77Å; Y938-E940 HydrophobicContact CD2-CG 4.16Å; Y938-E940 HydrophobicContact CE2-CG 4.14Å; Y938-E940 WeakPolarHBondContact CE2-OE1 3.33Å
939	A	92.1	Very high	89.7	Confident	2 Å²	2	58.1 Å²	58.1	2%	0.017	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	160.8	168.9	0	0	0	0	0	109.8	V888 M889 L890 F937 I970	V888-A939 PolarHBondContact O-N 2.89Å; M889-A939 HydrophobicContact CE-CB 3.7Å; M889-A939 HydrophobicContact SD-CB 3.8Å; L890-A939 PolarHBondContact N-O 2.89Å; F937-A939 HydrophobicContact CE1-CB 4.02Å; F937-A939 HydrophobicContact CZ-CB 4.4Å; A939-I970 HydrophobicContact CB-CB 3.82Å; A939-I970 HydrophobicContact CB-CD1 4.38Å; A939-I970 HydrophobicContact CB-CG2 4.47Å
940	E	90.8	Very high	89.7	Confident	46 Å²	46	54.4 Å²	54.4	22%	0.215	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146	179.5	-60	-175	-125.5	0	0	108.7	L890 K928 Y938	L890-E940 HydrophobicContact CB-CG 4.31Å; L890-E940 HydrophobicContact CD1-CG 4.25Å; L890-E940 WeakPolarHBondContact O-CA 3.49Å; K928-E940 WeakPolarHBondContact CE-OE1 3.44Å; K928-E940 WeakPolarHBondContact CE-OE2 3.45Å; K928-E940 IonicContact NZ-OE1 2.91Å; K928-E940 PolarHBondContact NZ-OE1 3.44Å; K928-E940 IonicContact NZ-OE2 3.65Å; K928-E940 PolarHBondContact NZ-OE2 3.38Å; Y938-E940 HydrophobicContact CD2-CG 4.16Å; Y938-E940 HydrophobicContact CE2-CG 4.14Å; Y938-E940 WeakPolarHBondContact CE2-OE1 3.33Å
941	A	87.9	Confident	89.6	Confident	20 Å²	20	53.9 Å²	53.9	17%	0.165	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	130.9	-179.9	0	0	0	0	0	111.3	M889 L890 E891 R892 V893 K943	M889-A941 HydrophobicContact CE-CB 4.44Å; M889-A941 HydrophobicContact CG-CB 4.41Å; M889-A941 HydrophobicContact SD-CB 3.68Å; L890-A941 PolarHBondContact O-N 2.85Å; E891-A941 CarbonylContact C-O 3.6Å; E891-A941 WeakPolarHBondContact CA-O 3.49Å; R892-A941 PolarHBondContact N-O 3.34Å; V893-A941 PolarHBondContact N-O 2.78Å; A941-K943 VanDerWaalsContact C-N 3.28Å; A941-K943 WeakPolarHBondContact CB-O 3.47Å; A941-K943 PolarHBondContact O-N 2.8Å
942	S	86.5	Confident	89.3	Confident	74 Å²	74	59.2 Å²	59.2	52%	0.517	32%	0.322	S	S	.	.	S	Bend	trans	-68.5	-28.4	173.2	59.3	0	0	0	0	112.5
943	K	86.3	Confident	89.2	Confident	167 Å²	167	62 Å²	62	73%	0.726	34%	0.34	S	S	*	.	S	Bend	trans	-115.4	145.1	-176.9	-62.8	160.9	-172.8	160.1	0	110.6	A941	A941-K943 VanDerWaalsContact C-N 3.28Å; A941-K943 WeakPolarHBondContact CB-O 3.47Å; A941-K943 PolarHBondContact O-N 2.8Å
944	S	88.5	Confident	89.1	Confident	65 Å²	65	57.9 Å²	57.9	46%	0.455	31%	0.311	S	S	.	.			trans	-80.1	142.5	175.6	-75.4	0	0	0	0	112.9	E891	E891-S944 WeakPolarHBondContact OE2-CA 3.38Å; E891-S944 WeakPolarHBondContact OE2-CB 3.48Å; E891-S944 PolarHBondContact OE2-OG 3.36Å
945	L	87.9	Confident	89.1	Confident	64 Å²	64	57.8 Å²	57.8	34%	0.335	31%	0.307	S	S	.	.			trans	-98.2	147.1	-176.3	-66.6	175.8	0	0	0	113.1	M889 E891 W947 F969	M889-L945 HydrophobicContact CE-CD1 4.13Å; E891-L945 PolarHBondContact OE1-N 3.31Å; L945-W947 VanDerWaalsContact C-N 3.29Å; L945-W947 HydrophobicContact CB-CZ2 4.17Å; L945-W947 HydrophobicContact CD1-CH2 4.12Å; L945-W947 HydrophobicContact CD1-CZ2 3.83Å; L945-W947 PolarHBondContact O-N 2.77Å; L945-F969 HydrophobicContact CD1-CE2 4.2Å
946	N	90.6	Very high	88.8	Confident	103 Å²	103	57.8 Å²	57.8	55%	0.551	31%	0.307	S	S	*	.			trans	-82	75.2	174.4	-166.1	-47.9	0	0	0	110.9	P948 K949 L950	N946-P948 VanDerWaalsContact C-CD 3.49Å; N946-P948 WeakPolarHBondContact OD1-CD 3.34Å; N946-K949 HydrophobicContact CB-CB 4.17Å; N946-K949 PolarHBondContact O-N 3.15Å; N946-K949 VanDerWaalsContact O-N 3.1Å; N946-K949 WeakPolarHBondContact OD1-CB 3.5Å; N946-K949 PolarHBondContact OD1-N 3.39Å; N946-L950 PolarHBondContact O-N 3.26Å
947	W	91.2	Very high	88.5	Confident	7 Å²	7	61.1 Å²	61.1	3%	0.027	33%	0.325	C	S	.	.	H	α-helix	trans	-52.3	-41.4	-179	-64.5	98.9	0	0	0	114.9	F887 M889 E891 V903 V905 P913 L945 K949 L950 M951 W967	F887-W947 HydrophobicContact CE2-CH2 4.07Å; F887-W947 AromaticContact CZ-CH2 4Å; F887-W947 HydrophobicContact CZ-CH2 4Å; F887-W947 HydrophobicContact CZ-CZ3 4.21Å; M889-W947 HydrophobicContact CB-CH2 4.15Å; M889-W947 HydrophobicContact CB-CZ2 3.69Å; M889-W947 HydrophobicContact CG-CZ2 4Å; E891-W947 PolarHBondContact OE1-NE1 3.4Å; V903-W947 HydrophobicContact CB-CZ2 4.39Å; V903-W947 HydrophobicContact CG1-CD2 4.15Å; V903-W947 HydrophobicContact CG1-CG 4.36Å; V903-W947 HydrophobicContact CG1-CZ2 4.25Å; V905-W947 HydrophobicContact CG2-CE3 4.03Å; V905-W947 HydrophobicContact CG2-CH2 3.69Å; V905-W947 HydrophobicContact CG2-CZ3 3.4Å; P913-W947 HydrophobicContact CG-CB 4.29Å; P913-W947 HydrophobicContact CG-CE3 4.36Å; L945-W947 VanDerWaalsContact C-N 3.29Å; L945-W947 HydrophobicContact CB-CZ2 4.17Å; L945-W947 HydrophobicContact CD1-CH2 4.12Å; L945-W947 HydrophobicContact CD1-CZ2 3.83Å; L945-W947 PolarHBondContact O-N 2.77Å; W947-K949 VanDerWaalsContact C-N 3.34Å; W947-K949 PolarHBondContact O-N 3.38Å; W947-L950 HydrophobicContact CE3-CD2 4.11Å; W947-L950 HydrophobicContact CZ3-CD2 3.97Å; W947-L950 PolarHBondContact O-N 3.38Å; W947-M951 VanDerWaalsContact O-CB 3.32Å; W947-M951 WeakPolarHBondContact O-CB 3.45Å; W947-M951 WeakPolarHBondContact O-CG 3.43Å; W947-M951 PolarHBondContact O-N 2.99Å; W947-W967 HydrophobicContact CZ3-CH2 4.4Å; W947-W967 HydrophobicContact CZ3-CZ3 4.46Å
948	P	87.6	Confident	88.1	Confident	106 Å²	106	61 Å²	61	69%	0.688	33%	0.325	S	S	*	.	H	α-helix	trans	-62.6	-36.6	176.2	-24.5	35.7	0	0	0	113.8	N946 K952	N946-P948 VanDerWaalsContact C-CD 3.49Å; N946-P948 WeakPolarHBondContact OD1-CD 3.34Å; P948-K952 WeakPolarHBondContact O-CB 3.46Å; P948-K952 PolarHBondContact O-N 2.93Å
949	K	89	Confident	87.5	Confident	148 Å²	148	65.8 Å²	65.8	64%	0.643	35%	0.348	S	S	*	.	H	α-helix	trans	-70.8	-49.3	174.9	-176.4	-174.5	176.9	-169.8	0	110.8	N946 W947 K952 T953	N946-K949 HydrophobicContact CB-CB 4.17Å; N946-K949 PolarHBondContact O-N 3.15Å; N946-K949 VanDerWaalsContact O-N 3.1Å; N946-K949 WeakPolarHBondContact OD1-CB 3.5Å; N946-K949 PolarHBondContact OD1-N 3.39Å; W947-K949 VanDerWaalsContact C-N 3.34Å; W947-K949 PolarHBondContact O-N 3.38Å; K949-K952 PolarHBondContact O-N 3Å; K949-T953 PolarHBondContact O-N 3.33Å; K949-T953 PolarHBondContact O-OG1 3.39Å
950	L	88.8	Confident	87.1	Confident	38 Å²	38	66 Å²	66	20%	0.199	35%	0.351	C	S	.	.	H	α-helix	trans	-59.5	-50.7	-178.8	178.9	59.8	0	0	0	111.9	N946 W947 K952 T953 I954 W967 F969	N946-L950 PolarHBondContact O-N 3.26Å; W947-L950 HydrophobicContact CE3-CD2 4.11Å; W947-L950 HydrophobicContact CZ3-CD2 3.97Å; W947-L950 PolarHBondContact O-N 3.38Å; L950-K952 VanDerWaalsContact C-N 3.25Å; L950-K952 PolarHBondContact O-N 2.94Å; L950-T953 WeakPolarHBondContact O-CB 3.34Å; L950-T953 PolarHBondContact O-N 2.93Å; L950-T953 VanDerWaalsContact O-N 3.1Å; L950-I954 HydrophobicContact CD1-CD1 4.07Å; L950-I954 HydrophobicContact CD1-CG1 4.4Å; L950-I954 HydrophobicContact CG-CD1 3.99Å; L950-I954 WeakPolarHBondContact O-CG1 3.05Å; L950-I954 PolarHBondContact O-N 2.81Å; L950-W967 HydrophobicContact CD2-CH2 4.18Å; L950-W967 HydrophobicContact CD2-CZ3 4.11Å; L950-F969 HydrophobicContact CD2-CZ 4.15Å
951	M	88.3	Confident	86.8	Confident	12 Å²	12	64.8 Å²	64.8	6%	0.059	34%	0.344	C	S	.	.	H	α-helix	trans	-61.2	-33.1	177.2	-73.9	-62.4	-150.3	0	0	112.8	V905 Y909 P913 W947 L955	V905-M951 HydrophobicContact CG1-CE 3.78Å; Y909-M951 HydrophobicContact CD1-CE 3.94Å; Y909-M951 HydrophobicContact CD1-SD 3.76Å; P913-M951 HydrophobicContact CG-CE 3.57Å; P913-M951 HydrophobicContact CG-CG 4.17Å; W947-M951 VanDerWaalsContact O-CB 3.32Å; W947-M951 WeakPolarHBondContact O-CB 3.45Å; W947-M951 WeakPolarHBondContact O-CG 3.43Å; W947-M951 PolarHBondContact O-N 2.99Å; M951-L955 WeakPolarHBondContact O-CB 3.41Å; M951-L955 VanDerWaalsContact O-CG 3.3Å; M951-L955 WeakPolarHBondContact O-CG 3.22Å; M951-L955 PolarHBondContact O-N 2.8Å; M951-L955 VanDerWaalsContact O-N 3.1Å
952	K	87	Confident	86.7	Confident	112 Å²	112	65.5 Å²	65.5	49%	0.487	35%	0.347	S	S	.	.	H	α-helix	trans	-67	-44.5	173.7	-172.4	-178.1	178	-63.9	0	111.3	P948 K949 L950 I954 L955 D956	P948-K952 WeakPolarHBondContact O-CB 3.46Å; P948-K952 PolarHBondContact O-N 2.93Å; K949-K952 PolarHBondContact O-N 3Å; L950-K952 VanDerWaalsContact C-N 3.25Å; L950-K952 PolarHBondContact O-N 2.94Å; K952-I954 PolarHBondContact O-N 3.2Å; K952-L955 PolarHBondContact O-N 3.21Å; K952-D956 IonicContact NZ-OD1 3.1Å; K952-D956 IonicContact NZ-OD2 3.3Å; K952-D956 PolarHBondContact NZ-OD2 3.14Å; K952-D956 WeakPolarHBondContact O-CB 3.48Å; K952-D956 PolarHBondContact O-N 3.16Å
953	T	87	Confident	86.5	Confident	79 Å²	79	70.3 Å²	70.3	49%	0.485	36%	0.361	S	S	.	.	H	α-helix	trans	-58.8	-46.6	176.3	-55.8	0	0	0	0	111.6	K949 L950 L955 D956 D957	K949-T953 PolarHBondContact O-N 3.33Å; K949-T953 PolarHBondContact O-OG1 3.39Å; L950-T953 WeakPolarHBondContact O-CB 3.34Å; L950-T953 PolarHBondContact O-N 2.93Å; L950-T953 VanDerWaalsContact O-N 3.1Å; T953-L955 VanDerWaalsContact C-N 3.31Å; T953-L955 PolarHBondContact O-N 2.67Å; T953-D956 PolarHBondContact O-N 3.24Å; T953-D957 PolarHBondContact O-N 2.87Å
954	I	86.9	Confident	86.3	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-36.6	178.9	-62.9	167.9	0	0	0	111.7	L536 Y909 L950 K952 D957 P958 F961 W967	L536-I954 HydrophobicContact CD2-CG2 4.06Å; Y909-I954 HydrophobicContact CD1-CG2 4.4Å; Y909-I954 HydrophobicContact CG-CG2 4.39Å; L950-I954 HydrophobicContact CD1-CD1 4.07Å; L950-I954 HydrophobicContact CD1-CG1 4.4Å; L950-I954 HydrophobicContact CG-CD1 3.99Å; L950-I954 WeakPolarHBondContact O-CG1 3.05Å; L950-I954 PolarHBondContact O-N 2.81Å; K952-I954 PolarHBondContact O-N 3.2Å; I954-D957 CarbonylContact O-C 3.19Å; I954-P958 WeakPolarHBondContact O-CA 3.29Å; I954-P958 WeakPolarHBondContact O-CG 3.46Å; I954-F961 HydrophobicContact CD1-CD1 4.32Å; I954-F961 HydrophobicContact CD1-CE1 3.89Å; I954-F961 HydrophobicContact CD1-CE2 4.09Å; I954-F961 HydrophobicContact CD1-CZ 3.76Å; I954-F961 HydrophobicContact CG1-CD1 3.9Å; I954-F961 HydrophobicContact CG1-CD2 3.93Å; I954-F961 HydrophobicContact CG1-CE1 3.99Å; I954-F961 HydrophobicContact CG1-CE2 4.02Å; I954-F961 HydrophobicContact CG1-CG 3.87Å; I954-F961 HydrophobicContact CG1-CZ 4.04Å; I954-F961 HydrophobicContact CG2-CD1 4.01Å; I954-F961 HydrophobicContact CG2-CE1 4.37Å; I954-W967 HydrophobicContact CD1-CH2 3.65Å; I954-W967 HydrophobicContact CD1-CZ2 3.69Å
955	L	86.2	Confident	85.9	Confident	44 Å²	44	68.3 Å²	68.3	23%	0.23	36%	0.357	C	S	.	.	H	α-helix	trans	-79.4	-26.3	177.4	-73.1	179.7	0	0	0	114.2	H910 M951 K952 T953	H910-L955 WeakPolarHBondContact ND1-CD2 3.43Å; M951-L955 WeakPolarHBondContact O-CB 3.41Å; M951-L955 VanDerWaalsContact O-CG 3.3Å; M951-L955 WeakPolarHBondContact O-CG 3.22Å; M951-L955 PolarHBondContact O-N 2.8Å; M951-L955 VanDerWaalsContact O-N 3.1Å; K952-L955 PolarHBondContact O-N 3.21Å; T953-L955 VanDerWaalsContact C-N 3.31Å; T953-L955 PolarHBondContact O-N 2.67Å
956	D	85.4	Confident	85.7	Confident	96 Å²	96	65.8 Å²	65.8	51%	0.513	35%	0.346	S	S	.	.	H	α-helix	trans	-78	-34.2	176.5	-73	-16.4	0	0	0	111.5	T541 K952 T953	T541-D956 WeakPolarHBondContact CG2-O 3.3Å; K952-D956 IonicContact NZ-OD1 3.1Å; K952-D956 IonicContact NZ-OD2 3.3Å; K952-D956 PolarHBondContact NZ-OD2 3.14Å; K952-D956 WeakPolarHBondContact O-CB 3.48Å; K952-D956 PolarHBondContact O-N 3.16Å; T953-D956 PolarHBondContact O-N 3.24Å
957	D	84.9	Confident	85.6	Confident	83 Å²	83	60.9 Å²	60.9	44%	0.444	32%	0.32	S	S	.	.			trans	-143.6	84.8	174.8	-170.6	1	0	0	0	113.1	T953 I954 E959 G960 F961	T953-D957 PolarHBondContact O-N 2.87Å; I954-D957 CarbonylContact O-C 3.19Å; D957-E959 PolarHBondContact O-N 2.83Å; D957-E959 PolarHBondContact OD1-N 2.82Å; D957-G960 PolarHBondContact OD1-N 2.71Å; D957-F961 PolarHBondContact O-N 2.81Å
958	P	83.5	Confident	85.2	Confident	4 Å²	4	62.9 Å²	62.9	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-66.8	-30.4	179.2	-21.6	32.9	0	0	0	114.3	L536 L539 T541 I954 V962	L536-P958 HydrophobicContact CD2-CB 4.01Å; L539-P958 HydrophobicContact CB-CB 4.3Å; L539-P958 HydrophobicContact CB-CG 4.48Å; L539-P958 HydrophobicContact CD2-CB 4.23Å; L539-P958 HydrophobicContact CD2-CG 4.02Å; T541-P958 VanDerWaalsContact CG2-CD 3.45Å; T541-P958 HydrophobicContact CG2-CG 4.06Å; I954-P958 WeakPolarHBondContact O-CA 3.29Å; I954-P958 WeakPolarHBondContact O-CG 3.46Å; P958-V962 WeakPolarHBondContact O-CG2 3.02Å
959	E	81.5	Confident	85	Confident	111 Å²	111	61.5 Å²	61.5	52%	0.519	32%	0.318	S	S	.	.	H	α-helix	trans	-82.4	-42.2	-177.8	-64.2	-169.2	153.6	0	0	110.2	G538 D957 F961 V962 E963	G538-E959 PolarHBondContact N-OE1 2.9Å; D957-E959 PolarHBondContact O-N 2.83Å; D957-E959 PolarHBondContact OD1-N 2.82Å; E959-F961 VanDerWaalsContact C-N 3.29Å; E959-F961 PolarHBondContact O-N 2.73Å; E959-V962 PolarHBondContact O-N 3.07Å; E959-V962 VanDerWaalsContact O-N 3.09Å; E959-E963 PolarHBondContact O-N 2.81Å
960	G	84	Confident	84.8	Confident	7 Å²	7	55 Å²	55	7%	0.072	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-32	173.3	0	0	0	0	0	113.9	D957 E963 Q964	D957-G960 PolarHBondContact OD1-N 2.71Å; G960-E963 PolarHBondContact O-N 2.72Å; G960-Q964 WeakPolarHBondContact O-CB 3.29Å; G960-Q964 VanDerWaalsContact O-CG 3.27Å; G960-Q964 WeakPolarHBondContact O-CG 3.28Å; G960-Q964 PolarHBondContact O-N 3.41Å; G960-Q964 VanDerWaalsContact O-N 3.12Å; G960-Q964 PolarHBondContact O-NE2 3.44Å
961	F	84.8	Confident	84.3	Confident	19 Å²	19	53.8 Å²	53.8	8%	0.083	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-42.5	171.2	179.3	-119.4	0	0	0	112	L536 I954 D957 E959 Q964 G966 W967	L536-F961 HydrophobicContact CD1-CD1 3.9Å; L536-F961 HydrophobicContact CD1-CE1 4.2Å; I954-F961 HydrophobicContact CD1-CD1 4.32Å; I954-F961 HydrophobicContact CD1-CE1 3.89Å; I954-F961 HydrophobicContact CD1-CE2 4.09Å; I954-F961 HydrophobicContact CD1-CZ 3.76Å; I954-F961 HydrophobicContact CG1-CD1 3.9Å; I954-F961 HydrophobicContact CG1-CD2 3.93Å; I954-F961 HydrophobicContact CG1-CE1 3.99Å; I954-F961 HydrophobicContact CG1-CE2 4.02Å; I954-F961 HydrophobicContact CG1-CG 3.87Å; I954-F961 HydrophobicContact CG1-CZ 4.04Å; I954-F961 HydrophobicContact CG2-CD1 4.01Å; I954-F961 HydrophobicContact CG2-CE1 4.37Å; D957-F961 PolarHBondContact O-N 2.81Å; E959-F961 VanDerWaalsContact C-N 3.29Å; E959-F961 PolarHBondContact O-N 2.73Å; F961-Q964 PolarHBondContact O-N 3.33Å; F961-G966 VanDerWaalsContact CE2-O 3.24Å; F961-G966 WeakPolarHBondContact CE2-O 3.35Å; F961-G966 VanDerWaalsContact CZ-O 3.26Å; F961-G966 WeakPolarHBondContact CZ-O 3.28Å; F961-G966 VanDerWaalsContact O-CA 3.23Å; F961-G966 WeakPolarHBondContact O-CA 3.07Å; F961-G966 PolarHBondContact O-N 3.1Å; F961-W967 HydrophobicContact CE1-CD2 4.3Å; F961-W967 AromaticContact CE1-CE2 3.86Å; F961-W967 HydrophobicContact CE1-CZ2 4.11Å; F961-W967 AromaticContact CE1-NE1 3.95Å; F961-W967 AromaticContact CZ-CD2 3.86Å; F961-W967 HydrophobicContact CZ-CD2 3.86Å; F961-W967 AromaticContact CZ-CE2 3.78Å; F961-W967 HydrophobicContact CZ-CE3 4.13Å; F961-W967 HydrophobicContact CZ-CG 4.34Å; F961-W967 HydrophobicContact CZ-CH2 4.22Å; F961-W967 AromaticContact CZ-CZ2 3.95Å; F961-W967 HydrophobicContact CZ-CZ2 3.95Å; F961-W967 HydrophobicContact CZ-CZ3 4.32Å
962	V	84.3	Confident	83.5	Confident	36 Å²	36	53.2 Å²	53.2	22%	0.218	28%	0.282	C	S	.	.	H	α-helix	trans	-66.2	-40.7	175.6	171.9	0	0	0	0	111.4	T533 L536 T537 P958 E959 Q964 G965	T533-V962 HydrophobicContact CG2-CG1 3.95Å; L536-V962 HydrophobicContact CB-CG2 3.65Å; L536-V962 HydrophobicContact CD1-CG2 3.82Å; L536-V962 HydrophobicContact CG-CG2 4.39Å; T537-V962 HydrophobicContact CG2-CG1 4.47Å; P958-V962 WeakPolarHBondContact O-CG2 3.02Å; E959-V962 PolarHBondContact O-N 3.07Å; E959-V962 VanDerWaalsContact O-N 3.09Å; V962-Q964 PolarHBondContact O-N 2.77Å; V962-G965 PolarHBondContact O-N 2.67Å; V962-G965 VanDerWaalsContact O-N 3.1Å
963	E	82.8	Confident	82.4	Confident	175 Å²	175	51.7 Å²	51.7	82%	0.818	28%	0.279	S	S	*	.	H	α-helix	trans	-63.7	-26.9	175.9	-70.5	-168.8	161.5	0	0	113.1	E959 G960 G965	E959-E963 PolarHBondContact O-N 2.81Å; G960-E963 PolarHBondContact O-N 2.72Å; E963-G965 VanDerWaalsContact C-N 3.27Å; E963-G965 PolarHBondContact O-N 2.91Å
964	Q	82.9	Confident	80.9	Confident	154 Å²	154	52.9 Å²	52.9	72%	0.72	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	5.7	175.2	-72.9	164.7	56.1	0	0	113.9	G960 F961 V962	G960-Q964 WeakPolarHBondContact O-CB 3.29Å; G960-Q964 VanDerWaalsContact O-CG 3.27Å; G960-Q964 WeakPolarHBondContact O-CG 3.28Å; G960-Q964 PolarHBondContact O-N 3.41Å; G960-Q964 VanDerWaalsContact O-N 3.12Å; G960-Q964 PolarHBondContact O-NE2 3.44Å; F961-Q964 PolarHBondContact O-N 3.33Å; V962-Q964 PolarHBondContact O-N 2.77Å
965	G	79.3	Confident	79.2	Confident	36 Å²	36	56.6 Å²	56.6	37%	0.371	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	-7.6	-177.6	0	0	0	0	0	114.5	V962 E963 W967 S968	V962-G965 PolarHBondContact O-N 2.67Å; V962-G965 VanDerWaalsContact O-N 3.1Å; E963-G965 VanDerWaalsContact C-N 3.27Å; E963-G965 PolarHBondContact O-N 2.91Å; G965-W967 PolarHBondContact O-N 3.04Å; G965-S968 PolarHBondContact O-N 2.67Å; G965-S968 VanDerWaalsContact O-N 3.16Å
966	G	84.2	Confident	77.2	Confident	10 Å²	10	59.4 Å²	59.4	10%	0.103	32%	0.315	C	S	.	.	S	Bend	trans	61.8	-113.2	176.9	0	0	0	0	0	112.3	F961 S968 F969	F961-G966 VanDerWaalsContact CE2-O 3.24Å; F961-G966 WeakPolarHBondContact CE2-O 3.35Å; F961-G966 VanDerWaalsContact CZ-O 3.26Å; F961-G966 WeakPolarHBondContact CZ-O 3.28Å; F961-G966 VanDerWaalsContact O-CA 3.23Å; F961-G966 WeakPolarHBondContact O-CA 3.07Å; F961-G966 PolarHBondContact O-N 3.1Å; G966-S968 PolarHBondContact O-N 3.45Å; G966-F969 WeakPolarHBondContact O-CD1 3.13Å
967	W	87.2	Confident	75.2	Confident	1 Å²	1	61.5 Å²	61.5	0%	0.004	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-85.4	23.8	177.5	-62.5	115.7	0	0	0	113.2	F525 L528 F887 Y909 W947 L950 I954 F961 G965 F969 I970	F525-W967 WeakPolarHBondContact CE2-O 3.49Å; F525-W967 VanDerWaalsContact CZ-O 3.27Å; F525-W967 WeakPolarHBondContact CZ-O 3.36Å; L528-W967 HydrophobicContact CD2-CB 4.49Å; F887-W967 AromaticContact CE1-CD2 3.68Å; F887-W967 HydrophobicContact CE1-CD2 3.68Å; F887-W967 AromaticContact CE1-CE2 3.72Å; F887-W967 AromaticContact CE1-CE3 3.71Å; F887-W967 HydrophobicContact CE1-CE3 3.71Å; F887-W967 HydrophobicContact CE1-CG 4.39Å; F887-W967 AromaticContact CE1-CH2 3.92Å; F887-W967 HydrophobicContact CE1-CH2 3.92Å; F887-W967 AromaticContact CE1-CZ2 3.88Å; F887-W967 HydrophobicContact CE1-CZ2 3.88Å; F887-W967 AromaticContact CE1-CZ3 3.81Å; F887-W967 HydrophobicContact CE1-CZ3 3.81Å; F887-W967 HydrophobicContact CZ-CD2 4.13Å; F887-W967 AromaticContact CZ-CE3 3.65Å; F887-W967 HydrophobicContact CZ-CE3 3.65Å; F887-W967 AromaticContact CZ-CH2 3.94Å; F887-W967 HydrophobicContact CZ-CH2 3.94Å; F887-W967 HydrophobicContact CZ-CZ2 4.37Å; F887-W967 AromaticContact CZ-CZ3 3.53Å; F887-W967 HydrophobicContact CZ-CZ3 3.53Å; Y909-W967 AromaticContact CE1-CZ2 3.85Å; Y909-W967 HydrophobicContact CE1-CZ2 3.85Å; Y909-W967 PolarHBondContact OH-NE1 3.32Å; Y909-W967 VanDerWaalsContact OH-NE1 3.14Å; W947-W967 HydrophobicContact CZ3-CH2 4.4Å; W947-W967 HydrophobicContact CZ3-CZ3 4.46Å; L950-W967 HydrophobicContact CD2-CH2 4.18Å; L950-W967 HydrophobicContact CD2-CZ3 4.11Å; I954-W967 HydrophobicContact CD1-CH2 3.65Å; I954-W967 HydrophobicContact CD1-CZ2 3.69Å; F961-W967 HydrophobicContact CE1-CD2 4.3Å; F961-W967 AromaticContact CE1-CE2 3.86Å; F961-W967 HydrophobicContact CE1-CZ2 4.11Å; F961-W967 AromaticContact CE1-NE1 3.95Å; F961-W967 AromaticContact CZ-CD2 3.86Å; F961-W967 HydrophobicContact CZ-CD2 3.86Å; F961-W967 AromaticContact CZ-CE2 3.78Å; F961-W967 HydrophobicContact CZ-CE3 4.13Å; F961-W967 HydrophobicContact CZ-CG 4.34Å; F961-W967 HydrophobicContact CZ-CH2 4.22Å; F961-W967 AromaticContact CZ-CZ2 3.95Å; F961-W967 HydrophobicContact CZ-CZ2 3.95Å; F961-W967 HydrophobicContact CZ-CZ3 4.32Å; G965-W967 PolarHBondContact O-N 3.04Å; W967-F969 VanDerWaalsContact C-N 3.35Å; W967-F969 AromaticContact CE3-CE1 3.63Å; W967-F969 HydrophobicContact CE3-CE1 3.63Å; W967-F969 AromaticContact CE3-CZ 3.89Å; W967-F969 HydrophobicContact CE3-CZ 3.89Å; W967-F969 AromaticContact CZ3-CE1 3.85Å; W967-F969 HydrophobicContact CZ3-CE1 3.85Å; W967-F969 AromaticContact CZ3-CZ 3.72Å; W967-F969 HydrophobicContact CZ3-CZ 3.72Å; W967-F969 PolarHBondContact O-N 2.87Å; W967-I970 HydrophobicContact CB-CD1 4.17Å; W967-I970 HydrophobicContact CB-CG1 4.14Å; W967-I970 HydrophobicContact CD2-CD1 4.39Å; W967-I970 HydrophobicContact CE3-CD1 3.91Å; W967-I970 HydrophobicContact CE3-CG1 4.48Å; W967-I970 VanDerWaalsContact O-CG1 3.24Å; W967-I970 WeakPolarHBondContact O-CG1 3.16Å
968	S	83.8	Confident	73.2	Confident	49 Å²	49	66 Å²	66	34%	0.343	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-61.4	-39.6	177.9	54.7	0	0	0	0	113.2	G965 G966 I970 S971	G965-S968 PolarHBondContact O-N 2.67Å; G965-S968 VanDerWaalsContact O-N 3.16Å; G966-S968 PolarHBondContact O-N 3.45Å; S968-I970 PolarHBondContact O-N 2.87Å; S968-S971 WeakPolarHBondContact O-CB 3.29Å; S968-S971 PolarHBondContact O-N 3.36Å
969	F	84.1	Confident	71.2	Confident	77 Å²	77	73.6 Å²	73.6	34%	0.338	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-69.6	10.4	-177.8	78.5	-80.4	0	0	0	115.6	L945 L950 G966 W967 E974	L945-F969 HydrophobicContact CD1-CE2 4.2Å; L950-F969 HydrophobicContact CD2-CZ 4.15Å; G966-F969 WeakPolarHBondContact O-CD1 3.13Å; W967-F969 VanDerWaalsContact C-N 3.35Å; W967-F969 AromaticContact CE3-CE1 3.63Å; W967-F969 HydrophobicContact CE3-CE1 3.63Å; W967-F969 AromaticContact CE3-CZ 3.89Å; W967-F969 HydrophobicContact CE3-CZ 3.89Å; W967-F969 AromaticContact CZ3-CE1 3.85Å; W967-F969 HydrophobicContact CZ3-CE1 3.85Å; W967-F969 AromaticContact CZ3-CZ 3.72Å; W967-F969 HydrophobicContact CZ3-CZ 3.72Å; W967-F969 PolarHBondContact O-N 2.87Å; F969-E974 VanDerWaalsContact CA-OE2 3.31Å; F969-E974 WeakPolarHBondContact CA-OE2 3.31Å
970	I	84.1	Confident	69	Low	10 Å²	10	77.5 Å²	77.5	5%	0.051	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-128.4	24.5	172.8	65.4	170.3	0	0	0	110.3	F525 F887 M889 F937 A939 W967 S968	F525-I970 HydrophobicContact CE2-CG1 4.17Å; F887-I970 HydrophobicContact CD1-CD1 4.29Å; F887-I970 HydrophobicContact CD2-CD1 3.8Å; F887-I970 HydrophobicContact CE1-CD1 3.97Å; F887-I970 HydrophobicContact CE2-CD1 3.45Å; F887-I970 VanDerWaalsContact CE2-CD1 3.45Å; F887-I970 HydrophobicContact CG-CD1 4.22Å; F887-I970 HydrophobicContact CZ-CD1 3.53Å; M889-I970 HydrophobicContact CE-CB 4.28Å; M889-I970 HydrophobicContact CE-CG2 3.52Å; F937-I970 HydrophobicContact CE1-CD1 3.98Å; F937-I970 HydrophobicContact CE1-CG1 4.24Å; F937-I970 WeakPolarHBondContact CZ-O 3.38Å; A939-I970 HydrophobicContact CB-CB 3.82Å; A939-I970 HydrophobicContact CB-CD1 4.38Å; A939-I970 HydrophobicContact CB-CG2 4.47Å; W967-I970 HydrophobicContact CB-CD1 4.17Å; W967-I970 HydrophobicContact CB-CG1 4.14Å; W967-I970 HydrophobicContact CD2-CD1 4.39Å; W967-I970 HydrophobicContact CE3-CD1 3.91Å; W967-I970 HydrophobicContact CE3-CG1 4.48Å; W967-I970 VanDerWaalsContact O-CG1 3.24Å; W967-I970 WeakPolarHBondContact O-CG1 3.16Å; S968-I970 PolarHBondContact O-N 2.87Å
971	S	78.3	Confident	66.6	Low	13 Å²	13	84.7 Å²	84.7	9%	0.091	43%	0.434	C	S	.	.			trans	-67.8	137.6	-178.5	-176	0	0	0	0	110.8	S968 D973 E974	S968-S971 WeakPolarHBondContact O-CB 3.29Å; S968-S971 PolarHBondContact O-N 3.36Å; S971-D973 PolarHBondContact O-N 3.03Å; S971-D973 PolarHBondContact OG-N 3.31Å; S971-D973 PolarHBondContact OG-OD2 3.15Å; S971-E974 PolarHBondContact O-N 3.17Å; S971-E974 VanDerWaalsContact O-N 3.14Å
972	P	71.1	Confident	64	Low	0 Å²	0	92.3 Å²	92.3	0%	0	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	0.5	169.9	32.4	-38.7	0	0	0	113.9	M518 R521 R522	M518-P972 HydrophobicContact CE-CB 4.14Å; R521-P972 HydrophobicContact CG-CB 4.08Å; R521-P972 HydrophobicContact CG-CG 4.39Å; R522-P972 HydrophobicContact CB-CG 4.43Å; R522-P972 HydrophobicContact CG-CB 4.26Å; R522-P972 HydrophobicContact CG-CG 3.48Å; R522-P972 VanDerWaalsContact CG-CG 3.48Å; R522-P972 PolarHBondContact NH2-O 3.31Å
973	D	63.6	Low	61.6	Low	81 Å²	81	95.4 Å²	95.4	43%	0.433	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-14.9	175	-55.2	-34.9	0	0	0	112.5	R522 S971	R522-D973 IonicContact CZ-OD1 3.33Å; R522-D973 IonicContact NE-OD1 3.92Å; R522-D973 PolarHBondContact NE-OD1 3.45Å; R522-D973 IonicContact NH2-OD1 3.41Å; R522-D973 PolarHBondContact NH2-OD1 2.9Å; S971-D973 PolarHBondContact O-N 3.03Å; S971-D973 PolarHBondContact OG-N 3.31Å; S971-D973 PolarHBondContact OG-OD2 3.15Å
974	E	56.4	Low	59.1	Low	103 Å²	103	95.7 Å²	95.7	48%	0.481	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-20.7	173	-67.9	173.1	166.9	0	0	111.3	F969 S971 D976	F969-E974 VanDerWaalsContact CA-OE2 3.31Å; F969-E974 WeakPolarHBondContact CA-OE2 3.31Å; S971-E974 PolarHBondContact O-N 3.17Å; S971-E974 VanDerWaalsContact O-N 3.14Å; E974-D976 VanDerWaalsContact C-N 3.29Å; E974-D976 PolarHBondContact O-N 2.72Å
975	D	51.3	Low	56.6	Low	79 Å²	79	96 Å²	96	42%	0.422	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.6	175.8	-62.9	-47.8	0	0	0	113.7	R521	R521-D975 IonicContact CZ-OD2 3.21Å; R521-D975 IonicContact NH1-OD2 2.81Å; R521-D975 PolarHBondContact NH1-OD2 2.65Å; R521-D975 IonicContact NH2-OD2 2.7Å; R521-D975 PolarHBondContact NH2-OD2 3.48Å
976	D	44.8	Very low	54.4	Low	104 Å²	104	103.9 Å²	103.9	56%	0.556	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-10.5	-173.8	-78.5	-38.2	0	0	0	112.9	R522 E974	R522-D976 IonicContact CZ-OD2 3.57Å; R522-D976 IonicContact NH1-OD2 2.69Å; R522-D976 IonicContact NH2-OD2 2.84Å; R522-D976 PolarHBondContact NH2-OD2 3.1Å; E974-D976 VanDerWaalsContact C-N 3.29Å; E974-D976 PolarHBondContact O-N 2.72Å
977	D	42.8	Very low	51.9	Low	140 Å²	140	111.4 Å²	111.4	75%	0.749	57%	0.568	S	S	*	*	S	Bend	trans	-108.7	-11.1	-169.9	-80	-23.8	0	0	0	115.5	D979	D977-D979 PolarHBondContact O-N 3.41Å
978	E	42.7	Very low	49.3	Very low	177 Å²	177	119.9 Å²	119.9	83%	0.827	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-4.1	-174.2	-75.6	-160.8	156.7	0	0	115.9
979	D	40.3	Very low	47.1	Very low	163 Å²	163	125.3 Å²	125.3	87%	0.872	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-3.3	-166.5	-106.4	-13.8	0	0	0	116.4	D977	D977-D979 PolarHBondContact O-N 3.41Å
980	E	35.6	Very low	45.1	Very low	194 Å²	194	131.6 Å²	131.6	91%	0.907	66%	0.656	S	S	*	*	S	Bend	trans	-127.9	3.4	-175	-84.7	-156.6	166.1	0	0	118.5
981	E	33.8	Very low	42.8	Very low	157 Å²	157	135.7 Å²	135.7	73%	0.734	69%	0.691	S	S	*	*			trans	-115.9	104.7	170.8	-70.7	-155.4	168.4	0	0	114.5	T983	E981-T983 HydrophobicContact CB-CG2 4.21Å; E981-T983 WeakPolarHBondContact CB-OG1 3.38Å; E981-T983 PolarHBondContact O-N 3.27Å; E981-T983 VanDerWaalsContact OE2-CG2 3.25Å; E981-T983 WeakPolarHBondContact OE2-CG2 3.41Å; E981-T983 PolarHBondContact OE2-OG1 2.89Å
982	D	30.8	Very low	40.8	Very low	179 Å²	179	139.8 Å²	139.8	96%	0.957	72%	0.718	S	S	*	*			trans	-65.8	74.7	150.2	-87	-47.7	0	0	0	108.8
983	T	32.9	Very low	39.4	Very low	101 Å²	101	145.3 Å²	145.3	62%	0.62	76%	0.756	S	S	*	*			trans	-106.7	103.4	171.7	33.5	0	0	0	0	112.5	E981	E981-T983 HydrophobicContact CB-CG2 4.21Å; E981-T983 WeakPolarHBondContact CB-OG1 3.38Å; E981-T983 PolarHBondContact O-N 3.27Å; E981-T983 VanDerWaalsContact OE2-CG2 3.25Å; E981-T983 WeakPolarHBondContact OE2-CG2 3.41Å; E981-T983 PolarHBondContact OE2-OG1 2.89Å
984	E	30	Very low	38	Very low	182 Å²	182	150.8 Å²	150.8	85%	0.85	78%	0.779	S	S	*	*			trans	-52.6	129.7	155.1	-52.1	173.2	141	0	0	109
985	D	32.5	Very low	37.2	Very low	160 Å²	160	150.6 Å²	150.6	86%	0.856	79%	0.789	S	S	*	*			trans	146.2	46.8	156.4	-75	-17.3	0	0	0	117.1
986	E	33	Very low	36.6	Very low	201 Å²	201	155.5 Å²	155.5	94%	0.939	81%	0.809	S	S	*	*			trans	-132.3	28.1	160.1	-86	-141	161	0	0	115
987	D	31.3	Very low	36.1	Very low	168 Å²	168	157.6 Å²	157.6	90%	0.898	82%	0.82	S	S	*	*			trans	-99	31.3	176.5	-138.9	-6.2	0	0	0	113.5	N989	D987-N989 PolarHBondContact O-N 3.36Å
988	E	32.7	Very low	35.9	Very low	180 Å²	180	156.1 Å²	156.1	84%	0.841	82%	0.821	S	S	*	*			trans	-96.2	63.9	-178.3	-72.6	-147.8	144	0	0	114.2
989	N	36.4	Very low	35.6	Very low	162 Å²	162	151.3 Å²	151.3	87%	0.866	82%	0.819	S	S	*	*	S	Bend	trans	-155.2	25	161	-113.8	-52.8	0	0	0	119.4	D987	D987-N989 PolarHBondContact O-N 3.36Å
990	Y	42.7	Very low	35.4	Very low	209 Å²	209	151.9 Å²	151.9	82%	0.82	82%	0.822	S	S	*	*			trans	-145	112.3	157.2	-157.7	-102.6	0	0	0	113.2	P992	Y990-P992 WeakPolarHBondContact O-CD 3.26Å
991	A	35.6	Very low	35.4	Very low	96 Å²	96	146.4 Å²	146.4	79%	0.793	82%	0.817	S	S	*	*			trans	-107.4	94.8	-179.8	0	0	0	0	0	111.5	S993	A991-S993 PolarHBondContact O-N 3.36Å
992	P	36.9	Very low	35.5	Very low	100 Å²	100	147.7 Å²	147.7	65%	0.649	82%	0.823	S	S	*	*			trans	-73.7	104	168.2	30.1	-31.8	0	0	0	109.2	Y990 E994	Y990-P992 WeakPolarHBondContact O-CD 3.26Å; P992-E994 PolarHBondContact O-N 2.78Å; P992-E994 VanDerWaalsContact O-N 3.11Å
993	S	40.6	Very low	35.8	Very low	115 Å²	115	147.4 Å²	147.4	80%	0.804	82%	0.816	S	S	*	*			trans	-72.1	106	179.1	55.9	0	0	0	0	111.4	A991 S995	A991-S993 PolarHBondContact O-N 3.36Å; S993-S995 PolarHBondContact O-N 2.99Å
994	E	34.5	Very low	35.9	Very low	196 Å²	196	150.6 Å²	150.6	92%	0.916	83%	0.829	S	S	*	*			trans	-60.1	118.3	174	-69.6	-164.9	135.7	0	0	112.3	P992	P992-E994 PolarHBondContact O-N 2.78Å; P992-E994 VanDerWaalsContact O-N 3.11Å
995	S	39.3	Very low	36.2	Very low	99 Å²	99	145.8 Å²	145.8	69%	0.692	83%	0.828	S	S	*	*			trans	-159.4	123.2	151.2	66.3	0	0	0	0	110.9	S993	S993-S995 PolarHBondContact O-N 2.99Å
996	E	38.8	Very low	36.3	Very low	182 Å²	182	144.5 Å²	144.5	85%	0.85	83%	0.832	S	S	*	*			trans	69.9	132.6	171.1	-54.6	-174.2	-168.7	0	0	116.7
997	L	35.6	Very low	36.3	Very low	148 Å²	148	138.7 Å²	138.7	78%	0.775	83%	0.826	S	S	*	*			cis	-163.5	135.3	-18.6	-153.5	77.3	0	0	0	110.7
998	S	38.9	Very low	36.3	Very low	110 Å²	110	138.4 Å²	138.4	77%	0.769	83%	0.825	S	S	*	*			trans	36.3	125.6	150.9	63.5	0	0	0	0	122
999	G	35.1	Very low	36.4	Very low	76 Å²	76	137.5 Å²	137.5	78%	0.784	82%	0.82	S	S	*	*			trans	173.2	93.2	159.1	0	0	0	0	0	115.5
1000	D	37.2	Very low	36.2	Very low	175 Å²	175	135.4 Å²	135.4	94%	0.936	82%	0.818	S	S	*	*			trans	-66	158.5	178	-40.2	-62.4	0	0	0	113.4
1001	G	35.9	Very low	35.6	Very low	78 Å²	78	129.9 Å²	129.9	80%	0.804	81%	0.81	S	S	*	*			trans	161.5	89.1	164.3	0	0	0	0	0	117.3
1002	E	35.4	Very low	35.3	Very low	184 Å²	184	131.7 Å²	131.7	86%	0.86	81%	0.806	S	S	*	*			trans	-65.9	174.2	-177.9	-57.9	165.4	133.6	0	0	117.4
1003	E	36.9	Very low	35.1	Very low	174 Å²	174	133.6 Å²	133.6	81%	0.813	81%	0.811	S	S	*	*			trans	78.9	111	153.2	-74.5	-177.9	173	0	0	122.7
1004	D	35.2	Very low	34.7	Very low	167 Å²	167	135 Å²	135	89%	0.893	81%	0.81	S	S	*	*				34	125.6	125.7	-68.1	13.1	0	0	0	122
1005	G	35.5	Very low	34.6	Very low	81 Å²	81	133.3 Å²	133.3	84%	0.835	80%	0.802	S	S	*	*			trans	175.7	111	158.6	0	0	0	0	0	116.1
1006	S	33.9	Very low	34.1	Very low	133 Å²	133	135.6 Å²	135.6	93%	0.93	81%	0.806	S	S	*	*			trans	-78.3	134.3	173.7	58.9	0	0	0	0	113.1
1007	G	34.1	Very low	33.9	Very low	79 Å²	79	138.1 Å²	138.1	81%	0.814	81%	0.808	S	S	*	*			trans	-166.5	135.9	171.8	0	0	0	0	0	113.4
1008	D	31.1	Very low	33.5	Very low	163 Å²	163	139.8 Å²	139.8	87%	0.872	81%	0.812	S	S	*	*			trans	-89.5	-179.7	-169.7	-160.3	-3.7	0	0	0	113.6
1009	E	35.1	Very low	33.3	Very low	161 Å²	161	139.2 Å²	139.2	75%	0.752	81%	0.814	S	S	*	*			trans	84.7	83.3	163.2	-58.4	-168.1	173.5	0	0	121
1010	S	31.8	Very low	33.1	Very low	117 Å²	117	144.4 Å²	144.4	82%	0.818	82%	0.818	S	S	*	*				84.3	163.4	120.3	78.1	0	0	0	0	123.4
1011	S	30.4	Very low	32.9	Very low	93 Å²	93	145.1 Å²	145.1	65%	0.65	82%	0.815	S	S	*	*			trans	92	109.1	167.7	-109	0	0	0	0	120.1
1012	D	30	Very low	32.7	Very low	134 Å²	134	148.5 Å²	148.5	72%	0.717	81%	0.811	S	S	*	*			trans	78.7	135.8	135.2	-51	-36.8	0	0	0	123.6
1013	D	32.3	Very low	32.5	Very low	141 Å²	141	144.4 Å²	144.4	75%	0.754	80%	0.802	S	S	*	*			trans	76	125	146.7	-60.7	-16.4	0	0	0	124.4
1014	D	32.4	Very low	32.2	Very low	145 Å²	145	144.1 Å²	144.1	78%	0.775	81%	0.806	S	S	*	*			trans	95.6	130.8	137.7	-69.9	-21.5	0	0	0	125.5
1015	E	31.3	Very low	32	Very low	160 Å²	160	141.6 Å²	141.6	75%	0.748	79%	0.789	S	S	*	*			trans	75.6	61.4	148.8	-65.9	-175.3	-174.3	0	0	123
1016	D	28.5	Very low	31.9	Very low	146 Å²	146	142.6 Å²	142.6	78%	0.781	78%	0.781	S	S	*	*				11.3	109.8	123	-176.6	20.8	0	0	0	119.2
1017	W	34.4	Very low	31.8	Very low	235 Å²	235	144.2 Å²	144.2	89%	0.89	77%	0.774	S	S	*	*			trans	-150.7	79.8	161	-77.4	98.3	0	0	0	112.6
1018	E	28.6	Very low	31.7	Very low	184 Å²	184	146.2 Å²	146.2	86%	0.86	78%	0.775	S	S	*	*			trans	-74.5	133.9	164.9	-72.7	-166.3	164.7	0	0	111.9
1019	A	33.4	Very low	31.9	Very low	98 Å²	98	144.5 Å²	144.5	81%	0.81	77%	0.765	S	S	*	*			trans	-111.7	109.1	175.4	0	0	0	0	0	110.5	E1021	A1019-E1021 PolarHBondContact O-N 3.4Å
1020	E	31.5	Very low	31.8	Very low	184 Å²	184	144 Å²	144	86%	0.86	77%	0.768	S	S	*	*			trans	-69.4	122.1	179.7	-62.7	-179.6	155.9	0	0	111.9
1021	E	32.8	Very low	31.9	Very low	190 Å²	190	142.3 Å²	142.3	89%	0.888	76%	0.756	S	S	*	*			trans	-85.5	113	160.6	-72.3	-158.2	143.8	0	0	110.2	A1019 S1023	A1019-E1021 PolarHBondContact O-N 3.4Å; E1021-S1023 PolarHBondContact O-N 2.79Å
1022	E	32.2	Very low	32	Very low	150 Å²	150	145.7 Å²	145.7	70%	0.701	77%	0.767	S	S	*	*			trans	-67.7	91.1	179.1	-72.9	-175	130.1	0	0	112	V622	V622-E1022 WeakPolarHBondContact CB-OE2 3.44Å; V622-E1022 WeakPolarHBondContact CG1-OE2 3.22Å
1023	S	30.4	Very low	32	Very low	97 Å²	97	148.9 Å²	148.9	68%	0.678	78%	0.777	S	S	*	*			trans	-89.5	110.4	170.9	-160.7	0	0	0	0	111.3	E1021 E1025	E1021-S1023 PolarHBondContact O-N 2.79Å; S1023-E1025 VanDerWaalsContact C-N 3.3Å; S1023-E1025 PolarHBondContact O-N 2.98Å
1024	D	30.8	Very low	32.1	Very low	169 Å²	169	147.4 Å²	147.4	90%	0.904	78%	0.778	S	S	*	*			trans	-77.5	65.5	-170.3	-137.5	-4.7	0	0	0	112.8
1025	E	31.2	Very low	32.5	Very low	114 Å²	114	149.3 Å²	149.3	53%	0.533	78%	0.782	S	S	.	*			trans	-113	121.6	165.8	-82.1	-162.6	143.6	0	0	111.9	R857 S1023 E1027	R857-E1025 IonicContact CZ-OE2 3.1Å; R857-E1025 IonicContact NH1-OE1 3.31Å; R857-E1025 IonicContact NH1-OE2 2.68Å; R857-E1025 PolarHBondContact NH1-OE2 3.02Å; R857-E1025 IonicContact NH2-OE2 3.93Å; R857-E1025 PolarHBondContact NH2-OE2 3.22Å; S1023-E1025 VanDerWaalsContact C-N 3.3Å; S1023-E1025 PolarHBondContact O-N 2.98Å; E1025-E1027 PolarHBondContact O-N 3.07Å
1026	P	34.1	Very low	33.2	Very low	102 Å²	102	145.3 Å²	145.3	66%	0.662	78%	0.784	S	S	*	*			trans	-77.9	95.4	178.5	30.1	-33.5	0	0	0	111.1
1027	E	31.9	Very low	34.7	Very low	167 Å²	167	142.5 Å²	142.5	78%	0.78	77%	0.765	S	S	*	*			trans	-48.6	144	172.6	-72.9	-159.8	131.3	0	0	113.1	E1025 L1029	E1025-E1027 PolarHBondContact O-N 3.07Å; E1027-L1029 VanDerWaalsContact C-N 3.32Å; E1027-L1029 PolarHBondContact O-N 2.95Å
1028	S	32.1	Very low	36.1	Very low	120 Å²	120	136.5 Å²	136.5	84%	0.839	75%	0.75	S	S	*	*			trans	-77.4	74.9	-178.1	54.3	0	0	0	0	112.6	D1030	S1028-D1030 PolarHBondContact O-N 2.61Å
1029	L	35	Very low	37.9	Very low	127 Å²	127	137.5 Å²	137.5	67%	0.665	75%	0.746	S	S	*	*			trans	-72.5	65.9	174	-71.8	175.1	0	0	0	113.4	E1027	E1027-L1029 VanDerWaalsContact C-N 3.32Å; E1027-L1029 PolarHBondContact O-N 2.95Å
1030	D	33.3	Very low	40	Very low	151 Å²	151	138.8 Å²	138.8	81%	0.807	74%	0.739	S	S	*	*			trans	-107.6	61.1	162.6	-148.1	27.4	0	0	0	107.8	S1028	S1028-D1030 PolarHBondContact O-N 2.61Å
1031	S	34	Very low	42.2	Very low	82 Å²	82	135.5 Å²	135.5	57%	0.573	72%	0.724	S	S	*	*				76.5	59.8	89.7	-173.6	0	0	0	0	114.2	E1033	S1031-E1033 PolarHBondContact O-N 3.46Å
1032	D	31.1	Very low	44.2	Very low	164 Å²	164	130.3 Å²	130.3	88%	0.877	70%	0.702	S	S	*	*			trans	28.1	82.5	150.5	-53.7	-31.7	0	0	0	118.2
1033	E	31.5	Very low	46.5	Very low	201 Å²	201	129.5 Å²	129.5	94%	0.939	70%	0.698	S	S	*	*			trans	-133.4	67.6	154.1	-81.7	-160.8	170.6	0	0	111.4	S1031	S1031-E1033 PolarHBondContact O-N 3.46Å
1034	S	34.4	Very low	48.9	Very low	110 Å²	110	128.2 Å²	128.2	77%	0.769	68%	0.681	S	S	*	*			trans	-169.9	123.1	139.4	-169.3	0	0	0	0	108.9
1035	E	40.5	Very low	51	Low	185 Å²	185	124.6 Å²	124.6	86%	0.864	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-59.5	140.4	158.2	-67.8	168.7	141.8	0	0	107.7	K1037	E1035-K1037 PolarHBondContact O-N 3.36Å
1036	G	46.6	Very low	53.2	Low	75 Å²	75	121.6 Å²	121.6	77%	0.773	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-66.2	126.9	173.3	0	0	0	0	0	108.9	D1038	G1036-D1038 PolarHBondContact O-N 3.34Å
1037	K	59.8	Low	55.3	Low	88 Å²	88	123.2 Å²	123.2	38%	0.383	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-53.1	130	173.8	-76.4	175	167.4	163.8	0	109.4	E1035 E1041 L1042 E1045	E1035-K1037 PolarHBondContact O-N 3.36Å; K1037-E1041 HydrophobicContact CB-CB 4.03Å; K1037-E1041 HydrophobicContact CG-CB 4.3Å; K1037-L1042 HydrophobicContact CB-CD2 4.2Å; K1037-L1042 HydrophobicContact CB-CG 3.93Å; K1037-L1042 HydrophobicContact CD-CD2 4.17Å; K1037-E1045 IonicContact NZ-OE1 3.51Å; K1037-E1045 PolarHBondContact NZ-OE1 3.23Å; K1037-E1045 IonicContact NZ-OE2 3.78Å; K1037-E1045 PolarHBondContact NZ-OE2 3.16Å
1038	D	62.7	Low	57.5	Low	109 Å²	109	120.7 Å²	120.7	58%	0.583	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-60.8	157.9	173.5	-157.1	-11.7	0	0	0	109.7	G1036 D1040 E1041 L1042	G1036-D1038 PolarHBondContact O-N 3.34Å; D1038-D1040 PolarHBondContact O-N 3.03Å; D1038-E1041 WeakPolarHBondContact O-CA 3.3Å; D1038-E1041 PolarHBondContact O-N 2.85Å; D1038-L1042 PolarHBondContact O-N 2.99Å
1039	W	66.1	Low	59.5	Low	204 Å²	204	120.2 Å²	120.2	77%	0.773	62%	0.618	S	S	*	*	H	α-helix	trans	-57.6	-36.5	-178.7	-75.3	92.6	0	0	0	111.6	E1041 L1042 E1043	W1039-E1041 VanDerWaalsContact C-N 3.34Å; W1039-E1041 PolarHBondContact O-N 3.06Å; W1039-L1042 PolarHBondContact O-N 3.12Å; W1039-E1043 PolarHBondContact O-N 3.48Å
1040	D	78.7	Confident	61.4	Low	125 Å²	125	119.2 Å²	119.2	67%	0.668	61%	0.613	S	S	*	*	H	α-helix	trans	-60.2	-37.3	172.5	-78.9	13.2	0	0	0	112.9	D1038 E1044	D1038-D1040 PolarHBondContact O-N 3.03Å; D1040-E1044 WeakPolarHBondContact O-CB 3.49Å; D1040-E1044 PolarHBondContact O-N 2.8Å
1041	E	77.7	Confident	63.5	Low	116 Å²	116	114 Å²	114	54%	0.542	59%	0.591	S	S	.	*	H	α-helix	trans	-75.3	-35.5	176.2	-88.6	-153.1	131.6	0	0	112.5	K1037 D1038 W1039 E1044 E1045	K1037-E1041 HydrophobicContact CB-CB 4.03Å; K1037-E1041 HydrophobicContact CG-CB 4.3Å; D1038-E1041 WeakPolarHBondContact O-CA 3.3Å; D1038-E1041 PolarHBondContact O-N 2.85Å; W1039-E1041 VanDerWaalsContact C-N 3.34Å; W1039-E1041 PolarHBondContact O-N 3.06Å; E1041-E1044 PolarHBondContact O-N 2.85Å; E1041-E1045 WeakPolarHBondContact O-CB 3.35Å; E1041-E1045 PolarHBondContact O-N 2.69Å
1042	L	75.3	Confident	65.3	Low	81 Å²	81	116.9 Å²	116.9	42%	0.424	59%	0.593	S	S	.	*	H	α-helix	trans	-66.8	-42.7	173.9	-74.6	171.1	0	0	0	111.5	K1037 D1038 W1039 E1045 A1046	K1037-L1042 HydrophobicContact CB-CD2 4.2Å; K1037-L1042 HydrophobicContact CB-CG 3.93Å; K1037-L1042 HydrophobicContact CD-CD2 4.17Å; D1038-L1042 PolarHBondContact O-N 2.99Å; W1039-L1042 PolarHBondContact O-N 3.12Å; L1042-E1045 PolarHBondContact O-N 3.1Å; L1042-A1046 WeakPolarHBondContact O-CB 3.49Å; L1042-A1046 PolarHBondContact O-N 2.86Å
1043	E	79.2	Confident	66.6	Low	132 Å²	132	112.5 Å²	112.5	62%	0.617	57%	0.57	S	S	*	*	H	α-helix	trans	-64	-41.9	172.2	-75.5	-156.8	166.8	0	0	111.9	W1039 E1045 A1046 R1047	W1039-E1043 PolarHBondContact O-N 3.48Å; E1043-E1045 VanDerWaalsContact C-N 3.3Å; E1043-E1045 PolarHBondContact O-N 3.06Å; E1043-A1046 PolarHBondContact O-N 3.25Å; E1043-R1047 WeakPolarHBondContact O-CB 3.44Å; E1043-R1047 PolarHBondContact O-N 3.04Å
1044	E	80.5	Confident	67.7	Low	70 Å²	70	110.6 Å²	110.6	33%	0.327	56%	0.561	S	S	.	*	H	α-helix	trans	-68.3	-25.5	178.6	178.8	66.9	-140.1	0	0	113.2	D1040 E1041 R1047 K1048	D1040-E1044 WeakPolarHBondContact O-CB 3.49Å; D1040-E1044 PolarHBondContact O-N 2.8Å; E1041-E1044 PolarHBondContact O-N 2.85Å; E1044-R1047 IonicContact OE1-NH1 2.65Å; E1044-R1047 IonicContact OE2-CZ 3.51Å; E1044-R1047 IonicContact OE2-NH1 3.48Å; E1044-R1047 PolarHBondContact OE2-NH1 3.13Å; E1044-R1047 IonicContact OE2-NH2 3.95Å; E1044-R1047 PolarHBondContact OE2-NH2 2.87Å; E1044-K1048 VanDerWaalsContact O-CG 3.31Å; E1044-K1048 WeakPolarHBondContact O-CG 3.17Å; E1044-K1048 WeakPolarHBondContact OE1-CE 3.43Å; E1044-K1048 IonicContact OE1-NZ 2.79Å; E1044-K1048 PolarHBondContact OE1-NZ 3.05Å
1045	E	75.6	Confident	68.6	Low	93 Å²	93	111.8 Å²	111.8	44%	0.435	56%	0.557	S	S	.	*	H	α-helix	trans	-82.5	-45.1	172.4	-168.1	167.5	-113.7	0	0	112	K1037 E1041 L1042 E1043 R1047 K1048 E1049	K1037-E1045 IonicContact NZ-OE1 3.51Å; K1037-E1045 PolarHBondContact NZ-OE1 3.23Å; K1037-E1045 IonicContact NZ-OE2 3.78Å; K1037-E1045 PolarHBondContact NZ-OE2 3.16Å; E1041-E1045 WeakPolarHBondContact O-CB 3.35Å; E1041-E1045 PolarHBondContact O-N 2.69Å; L1042-E1045 PolarHBondContact O-N 3.1Å; E1043-E1045 VanDerWaalsContact C-N 3.3Å; E1043-E1045 PolarHBondContact O-N 3.06Å; E1045-R1047 VanDerWaalsContact C-N 3.33Å; E1045-R1047 PolarHBondContact O-N 2.84Å; E1045-K1048 WeakPolarHBondContact O-CA 3.45Å; E1045-K1048 WeakPolarHBondContact O-CB 3.24Å; E1045-K1048 PolarHBondContact O-N 3.18Å; E1045-E1049 PolarHBondContact O-N 3.04Å
1046	A	78.1	Confident	68.8	Low	52 Å²	52	107 Å²	107	43%	0.43	54%	0.544	S	S	.	.	H	α-helix	trans	-56.7	-46.8	173.5	0	0	0	0	0	111.3	L1042 E1043 K1048 E1049 D1050	L1042-A1046 WeakPolarHBondContact O-CB 3.49Å; L1042-A1046 PolarHBondContact O-N 2.86Å; E1043-A1046 PolarHBondContact O-N 3.25Å; A1046-K1048 PolarHBondContact O-N 2.9Å; A1046-E1049 PolarHBondContact O-N 3.25Å; A1046-D1050 PolarHBondContact O-N 2.78Å
1047	R	77.1	Confident	68.7	Low	136 Å²	136	110.3 Å²	110.3	51%	0.513	54%	0.544	S	S	.	.	H	α-helix	trans	-61.4	-25.7	176.2	-150.8	-167.9	-33.2	118.5	4.4	113	E1043 E1044 E1045 A1051	E1043-R1047 WeakPolarHBondContact O-CB 3.44Å; E1043-R1047 PolarHBondContact O-N 3.04Å; E1044-R1047 IonicContact OE1-NH1 2.65Å; E1044-R1047 IonicContact OE2-CZ 3.51Å; E1044-R1047 IonicContact OE2-NH1 3.48Å; E1044-R1047 PolarHBondContact OE2-NH1 3.13Å; E1044-R1047 IonicContact OE2-NH2 3.95Å; E1044-R1047 PolarHBondContact OE2-NH2 2.87Å; E1045-R1047 VanDerWaalsContact C-N 3.33Å; E1045-R1047 PolarHBondContact O-N 2.84Å; R1047-A1051 VanDerWaalsContact O-CB 3.24Å; R1047-A1051 WeakPolarHBondContact O-CB 3.48Å; R1047-A1051 PolarHBondContact O-N 2.74Å
1048	K	78.9	Confident	67.6	Low	114 Å²	114	111.5 Å²	111.5	50%	0.496	56%	0.559	S	S	.	*	H	α-helix	trans	-81.3	-33.6	173.8	-81	176.8	-174.3	113.5	0	113.1	E1044 E1045 A1046 K1052	E1044-K1048 VanDerWaalsContact O-CG 3.31Å; E1044-K1048 WeakPolarHBondContact O-CG 3.17Å; E1044-K1048 WeakPolarHBondContact OE1-CE 3.43Å; E1044-K1048 IonicContact OE1-NZ 2.79Å; E1044-K1048 PolarHBondContact OE1-NZ 3.05Å; E1045-K1048 WeakPolarHBondContact O-CA 3.45Å; E1045-K1048 WeakPolarHBondContact O-CB 3.24Å; E1045-K1048 PolarHBondContact O-N 3.18Å; A1046-K1048 PolarHBondContact O-N 2.9Å; K1048-K1052 WeakPolarHBondContact O-CB 3.25Å; K1048-K1052 PolarHBondContact O-N 2.7Å
1049	E	72.7	Confident	66.4	Low	109 Å²	109	113.1 Å²	113.1	51%	0.509	57%	0.572	S	S	.	*	H	α-helix	trans	-70.7	-43.6	174.5	-67.5	-109.4	107.4	0	0	110.7	E1045 A1046 K1052 N1053	E1045-E1049 PolarHBondContact O-N 3.04Å; A1046-E1049 PolarHBondContact O-N 3.25Å; E1049-K1052 VanDerWaalsContact O-CB 3.32Å; E1049-K1052 WeakPolarHBondContact O-CB 3.5Å; E1049-K1052 PolarHBondContact O-N 2.87Å; E1049-N1053 PolarHBondContact O-N 3.11Å; E1049-N1053 PolarHBondContact O-ND2 2.72Å; E1049-N1053 VanDerWaalsContact O-ND2 3.1Å
1050	D	76.7	Confident	65	Low	106 Å²	106	111.8 Å²	111.8	57%	0.567	57%	0.574	S	S	*	*	H	α-helix	trans	-61.3	-47.6	173.4	-77.7	-22.5	0	0	0	111.9	A1046 K1052 N1053 E1054	A1046-D1050 PolarHBondContact O-N 2.78Å; D1050-K1052 VanDerWaalsContact C-N 3.25Å; D1050-K1052 PolarHBondContact O-N 2.83Å; D1050-N1053 WeakPolarHBondContact O-CB 3.14Å; D1050-N1053 PolarHBondContact O-N 2.8Å; D1050-E1054 PolarHBondContact O-N 3.47Å
1051	A	77	Confident	62.8	Low	42 Å²	42	111.7 Å²	111.7	35%	0.347	58%	0.581	S	S	.	*	H	α-helix	trans	-62.2	-30.3	175.3	0	0	0	0	0	113.1	R1047 I1055	R1047-A1051 VanDerWaalsContact O-CB 3.24Å; R1047-A1051 WeakPolarHBondContact O-CB 3.48Å; R1047-A1051 PolarHBondContact O-N 2.74Å; A1051-I1055 WeakPolarHBondContact O-CB 3.27Å; A1051-I1055 WeakPolarHBondContact O-CD1 3.36Å; A1051-I1055 WeakPolarHBondContact O-CG1 3.4Å; A1051-I1055 PolarHBondContact O-N 2.98Å
1052	K	70.8	Confident	61	Low	142 Å²	142	115.5 Å²	115.5	62%	0.617	60%	0.595	S	S	*	*	H	α-helix	trans	-67.9	-43.3	170.9	-101	176.1	177.7	171.7	0	111.9	K1048 E1049 D1050 I1055 S1056	K1048-K1052 WeakPolarHBondContact O-CB 3.25Å; K1048-K1052 PolarHBondContact O-N 2.7Å; E1049-K1052 VanDerWaalsContact O-CB 3.32Å; E1049-K1052 WeakPolarHBondContact O-CB 3.5Å; E1049-K1052 PolarHBondContact O-N 2.87Å; D1050-K1052 VanDerWaalsContact C-N 3.25Å; D1050-K1052 PolarHBondContact O-N 2.83Å; K1052-I1055 PolarHBondContact O-N 3.23Å; K1052-S1056 PolarHBondContact O-N 2.83Å
1053	N	58.3	Low	59.2	Low	73 Å²	73	121.1 Å²	121.1	39%	0.39	62%	0.616	S	S	.	*	H	α-helix	trans	-62.8	-50.1	178.1	-75.4	-50.3	0	0	0	110.3	E1049 D1050 I1055 S1056	E1049-N1053 PolarHBondContact O-N 3.11Å; E1049-N1053 PolarHBondContact O-ND2 2.72Å; E1049-N1053 VanDerWaalsContact O-ND2 3.1Å; D1050-N1053 WeakPolarHBondContact O-CB 3.14Å; D1050-N1053 PolarHBondContact O-N 2.8Å; N1053-I1055 VanDerWaalsContact C-N 3.31Å; N1053-I1055 PolarHBondContact O-N 3.36Å; N1053-S1056 WeakPolarHBondContact O-CB 3.4Å; N1053-S1056 PolarHBondContact O-N 3.5Å; N1053-S1056 PolarHBondContact O-OG 3.43Å
1054	E	54.5	Low	57	Low	161 Å²	161	126.2 Å²	126.2	75%	0.752	63%	0.63	S	S	*	*	H	α-helix	trans	-56.9	-40.5	177.5	-74.4	-160	127.8	0	0	113.1	D1050 S1056	D1050-E1054 PolarHBondContact O-N 3.47Å; E1054-S1056 PolarHBondContact O-N 3.2Å
1055	I	54.7	Low	55	Low	135 Å²	135	132.4 Å²	132.4	69%	0.692	66%	0.659	S	S	*	*	H	α-helix	trans	-70.1	-20.5	179.1	-70.7	170.5	0	0	0	112.1	A1051 K1052 N1053	A1051-I1055 WeakPolarHBondContact O-CB 3.27Å; A1051-I1055 WeakPolarHBondContact O-CD1 3.36Å; A1051-I1055 WeakPolarHBondContact O-CG1 3.4Å; A1051-I1055 PolarHBondContact O-N 2.98Å; K1052-I1055 PolarHBondContact O-N 3.23Å; N1053-I1055 VanDerWaalsContact C-N 3.31Å; N1053-I1055 PolarHBondContact O-N 3.36Å
1056	S	43.6	Very low	52.9	Low	83 Å²	83	140 Å²	140	58%	0.58	68%	0.684	S	S	*	*	H	α-helix	trans	-81.1	-26.1	-177.5	76.7	0	0	0	0	114.7	K1052 N1053 E1054 T1058	K1052-S1056 PolarHBondContact O-N 2.83Å; N1053-S1056 WeakPolarHBondContact O-CB 3.4Å; N1053-S1056 PolarHBondContact O-N 3.5Å; N1053-S1056 PolarHBondContact O-OG 3.43Å; E1054-S1056 PolarHBondContact O-N 3.2Å; S1056-T1058 PolarHBondContact O-N 2.99Å; S1056-T1058 VanDerWaalsContact O-N 3.1Å
1057	D	44.1	Very low	51	Low	146 Å²	146	142.2 Å²	142.2	78%	0.781	70%	0.701	S	S	*	*	S	Bend	trans	-81.4	16	-170.4	-98.8	-30.4	0	0	0	115.2
1058	T	38.5	Very low	49.2	Very low	113 Å²	113	144.8 Å²	144.8	69%	0.693	72%	0.719	S	S	*	*			trans	-129.8	86.2	-179.8	54	0	0	0	0	115.3	S1056	S1056-T1058 PolarHBondContact O-N 2.99Å; S1056-T1058 VanDerWaalsContact O-N 3.1Å
1059	V	37.1	Very low	47.3	Very low	143 Å²	143	144.8 Å²	144.8	87%	0.867	73%	0.733	S	S	*	*			trans	-163	136.8	140.3	130.6	0	0	0	0	112.2
1060	H	36.9	Very low	45.7	Very low	176 Å²	176	145.6 Å²	145.6	82%	0.815	75%	0.748	S	S	*	*			trans	-74.7	140.9	-174.8	-65.1	-69	0	0	0	115
1061	P	31.5	Very low	44.1	Very low	123 Å²	123	145.7 Å²	145.7	80%	0.799	76%	0.757	S	S	*	*			trans	-82.4	145.8	168.7	33.7	-34.6	0	0	0	112.7
1062	K	39.7	Very low	42.6	Very low	196 Å²	196	149.3 Å²	149.3	85%	0.852	78%	0.777	S	S	*	*			trans	-139.6	116.1	170.7	-81.7	-178	178.4	167.3	0	113.8
1063	K	37.7	Very low	41.2	Very low	198 Å²	198	148.3 Å²	148.3	86%	0.861	78%	0.782	S	S	*	*			trans	46.1	103.5	154.6	-59	-175.1	178.5	-175.9	0	116.8
1064	R	33.9	Very low	40.4	Very low	240 Å²	240	149.4 Å²	149.4	91%	0.906	80%	0.796	S	S	*	*				43.1	114.8	81	-61.6	-176.9	98.6	179	8	114.1
1065	Q	37.4	Very low	39.9	Very low	199 Å²	199	148.7 Å²	148.7	93%	0.93	79%	0.792	S	S	*	*				-173.3	137.7	106.1	-100	172.2	-5.3	0	0	113
1066	R	31.4	Very low	39.4	Very low	254 Å²	254	149.4 Å²	149.4	96%	0.958	79%	0.79	S	S	*	*			trans	-130	130	160.7	-106.4	-174.7	171.6	-175.6	-2	105.9
1067	A	37.8	Very low	39.4	Very low	97 Å²	97	154.3 Å²	154.3	80%	0.802	80%	0.801	S	S	*	*			trans	-156.4	157.7	170.7	0	0	0	0	0	110.8
1068	H	40.7	Very low	39.5	Very low	191 Å²	191	152.4 Å²	152.4	88%	0.884	80%	0.799	S	S	*	*			trans	-56.5	158.8	-163.7	-65.7	-93.2	0	0	0	118.8
1069	S	38.3	Very low	39.7	Very low	113 Å²	113	156.5 Å²	156.5	79%	0.79	80%	0.802	S	S	*	*			trans	-54.2	156.7	160.9	-34.7	0	0	0	0	112.5
1070	P	40.1	Very low	40.2	Very low	126 Å²	126	157.7 Å²	157.7	82%	0.818	80%	0.797	S	S	*	*				-142.4	-179.5	94.8	39	-24.9	0	0	0	115.5
1071	S	42.7	Very low	40.4	Very low	109 Å²	109	152 Å²	152	76%	0.762	79%	0.787	S	S	*	*			trans	-76.9	178.9	-177.7	-42.4	0	0	0	0	113.7
1072	P	44.9	Very low	41	Very low	117 Å²	117	152.5 Å²	152.5	76%	0.76	79%	0.788	S	S	*	*				-129.6	-151.4	-66.3	36.4	-17.8	0	0	0	111.6
1073	V	41.7	Very low	41	Very low	121 Å²	121	152.6 Å²	152.6	73%	0.733	79%	0.788	S	S	*	*			trans	94.6	97.9	162.5	-166.2	0	0	0	0	119.5
1074	S	41.7	Very low	41	Very low	97 Å²	97	148.4 Å²	148.4	68%	0.678	78%	0.784	S	S	*	*			trans	85	122.4	139.4	82.9	0	0	0	0	123.3
1075	H	44.5	Very low	41.7	Very low	146 Å²	146	142.1 Å²	142.1	68%	0.676	77%	0.774	S	S	*	*				80.8	101.5	126.3	-78.9	-1.4	0	0	0	124
1076	K	43.4	Very low	42	Very low	150 Å²	150	139.1 Å²	139.1	65%	0.652	76%	0.764	S	S	*	*				95.5	119.8	113.7	-77.5	168.1	175.9	155.3	0	120.2
1077	K	44	Very low	42.5	Very low	186 Å²	186	134.7 Å²	134.7	81%	0.809	75%	0.752	S	S	*	*			trans	70.1	113.6	144.5	-67.3	179.8	177.8	-176.5	0	116.1
1078	S	46.2	Very low	42.6	Very low	105 Å²	105	138.1 Å²	138.1	73%	0.734	75%	0.749	S	S	*	*				116.6	158.2	53.7	65.9	0	0	0	0	107.9
1079	R	43.2	Very low	42.6	Very low	200 Å²	200	134.6 Å²	134.6	76%	0.755	74%	0.737	S	S	*	*			cis	-167.7	141.1	29.6	-154.1	-173.9	178.6	160.2	0.2	111.9
1080	H	46.6	Very low	42.9	Very low	167 Å²	167	138.1 Å²	138.1	77%	0.773	74%	0.738	S	S	*	*			trans	49.4	144.8	161.1	-52	-35.9	0	0	0	121
1081	G	41	Very low	43	Very low	58 Å²	58	147.3 Å²	147.3	60%	0.598	76%	0.756	S	S	*	*			cis	152.1	157.4	-13.3	0	0	0	0	0	115.6
1082	T	43.3	Very low	43	Very low	133 Å²	133	149.3 Å²	149.3	82%	0.816	76%	0.756	S	S	*	*			trans	66.2	148.7	161.2	62.2	0	0	0	0	118.6
1083	K	41.5	Very low	42.9	Very low	198 Å²	198	150.9 Å²	150.9	86%	0.861	76%	0.756	S	S	*	*			cis	-161.3	153.2	-8	-117.1	170.3	-177.1	-179.3	0	110
1084	S	36.4	Very low	43	Very low	109 Å²	109	152.6 Å²	152.6	76%	0.762	76%	0.757	S	S	*	*			trans	-81	-170.8	165.9	-33.3	0	0	0	0	111
1085	P	49.1	Very low	43	Very low	109 Å²	109	155.9 Å²	155.9	71%	0.708	76%	0.762	S	S	*	*			cis	-144.4	178.4	-2.9	39.6	-18.9	0	0	0	118
1086	N	42.9	Very low	43	Very low	135 Å²	135	156.5 Å²	156.5	72%	0.722	77%	0.767	S	S	*	*			trans	86.6	145	134	-113.5	-27.6	0	0	0	124.7
1087	K	42.2	Very low	42.9	Very low	162 Å²	162	156.9 Å²	156.9	70%	0.704	78%	0.775	S	S	*	*			trans	78.1	110.3	146.4	-74.2	176.4	-177.7	173.9	0	122.5
1088	K	41.5	Very low	42.9	Very low	168 Å²	168	154.9 Å²	154.9	73%	0.73	77%	0.772	S	S	*	*				97.5	124.4	114.3	-82.6	-168.6	169.7	-169.1	0	122
1089	N	40.6	Very low	42.6	Very low	118 Å²	118	158.7 Å²	158.7	63%	0.631	78%	0.775	S	S	*	*				94.5	119.7	125.2	-77.7	17.1	0	0	0	121.4
1090	K	42.9	Very low	42.5	Very low	187 Å²	187	155.3 Å²	155.3	81%	0.813	78%	0.777	S	S	*	*			trans	58.4	110.9	133.7	-63	-167	171.8	-161.3	0	118.6
1091	R	42.6	Very low	42.2	Very low	319 Å²	319	154.2 Å²	154.2	100%	1.204	78%	0.777	S	S	*	*				-106.6	0	95.2	-119.2	176.7	178.6	178.2	-2.5	109.5

Retrieved 1,091 of 1,091 residues in 2315.9 ms (Link to these results)

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