A0A077ZI67_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZI67, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,063 aa.

						>A0A077ZI67_TRITR|A0A077ZI67
MWSASPSLRIYAGSSLYSRIKRRGKKVKISSFNVYSVPWGNEKVRRGIALIKLEQPLVRKDGVVPICLAPRDELPPLHASCYVSHYDRSKHLVEEELVMVARKPRCLDADHKKKHTFRGICTMDEKRPNYLQLGAPITCIINGRAFQYGVYLNHISLEINSRANQMLGYYSELDIIHDVLFGKKVSTEPVKQERPHPAGVPVLPVQKPAKAFIDPAIVPVTIFNSNEQVSLSLSSSFESQKTETQANTYDSAGHVKPSSYVEPIQHVTVPAPVRTSGKSGSSSHASSEQTTGSLSTSSSFSAETNTRSADNEIHSASAEESFQSSETAKVLRVKVQSVKSPTVWGIEQPVKKPVLLPAVSSEETKERRPYIGNEIFPVPPSSASVGPITESSGMPNDINPFPMTVAPVTLKTKSKSSSSSSSASSGSKSGSVEHIAFPATKEETTTLHLPSSSEQTKPCSLPQPGPFPNTPSAPVVCASANNAKEQFDNTVFSPFPIPEYPSRSVESNHLPLIPPRLMRYDLSSKSVTDHEHVMVHTFTGTPSGPCGATVSEEAGFNRLSHAPNDNFNGSSSLSHIQGSHGAHVSGSMSSMSHISDGVQSSSFYGPSGAISTGVTSSGHVHGSSNVKYGGDSYSNHIEETNGVLNTGSVSSGHFHKNHYDEITSSNNVHGLSGVRSTEMSFSSNENNIMAGSVSSGHFHKNHYNEITSSNNVHGLSGVRSTEMSFSSNENNIMAVNEIYHGTSGMHSRETMSSGQSSRTSGTQIISSRSSENLQGSSGRHSGNFSPSNSALHGSHGAQSGGIATSGCKYNSVGNDFSSSSGGLPGASGVHIFDVSDTSAEEACTGTLYVESGKTYSDHVITAARCVWSKMSGKYAVYVGSLLPRQMTTDHIDKTLIHVERINTVPFYAEHADLKAMGMAVLKLRHKVKAIQGVQSFSLPHVSTGAYPSMQCFVSGVCEHGMPVRVQYQLLTPRECRSRLGQTFFPSLMYCGIGKKGILQYNDRLGIRCNLTAVMCFSLLARLWFVTFTESGHSLEFMITHPGLPKSTTLDTKKQTVLTKLLSS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.5	Very low	57.3	Low	157 Å²	157	99.9 Å²	99.9	77%	0.773	52%	0.524	S	S	*	.				0	107	0	179.9	175.4	72.4	0	0	110.2
2	W	28.5	Very low	59.6	Low	229 Å²	229	93 Å²	93	87%	0.867	49%	0.492	S	S	*	.			trans	-91.2	95.6	150.8	-83.3	15	0	0	0	105.9	F32	W2-F32 WeakPolarHBondContact O-CZ 3.49Å
3	S	34.1	Very low	61.3	Low	86 Å²	86	88.8 Å²	88.8	60%	0.601	49%	0.485	S	S	*	.			trans	-66.8	148	162.2	-175.9	0	0	0	0	107.6	S5	S3-S5 VanDerWaalsContact C-N 3.28Å; S3-S5 PolarHBondContact O-N 3.42Å
4	A	42.6	Very low	62.5	Low	37 Å²	37	85.2 Å²	85.2	31%	0.306	47%	0.47	S	S	.	.			trans	-65.8	95	169.6	0	0	0	0	0	108.7	F32	A4-F32 HydrophobicContact CB-CD1 3.56Å; A4-F32 HydrophobicContact CB-CE1 3.35Å; A4-F32 HydrophobicContact CB-CZ 4.21Å
5	S	44.7	Very low	63.4	Low	62 Å²	62	83.9 Å²	83.9	43%	0.434	47%	0.469	S	S	.	.			trans	-57.5	131.9	166.1	-177.1	0	0	0	0	107.9	S3 S7 L8	S3-S5 VanDerWaalsContact C-N 3.28Å; S3-S5 PolarHBondContact O-N 3.42Å; S5-S7 WeakPolarHBondContact CB-OG 3.46Å; S5-S7 PolarHBondContact O-N 2.61Å; S5-S7 PolarHBondContact OG-OG 3.47Å; S5-S7 VanDerWaalsContact OG-OG 3.05Å; S5-L8 PolarHBondContact O-N 3.12Å
6	P	51.2	Low	63.9	Low	126 Å²	126	83.6 Å²	83.6	82%	0.818	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	3.2	177.8	26.4	-34.4	0	0	0	113.5
7	S	68.1	Low	64.2	Low	75 Å²	75	82.8 Å²	82.8	52%	0.524	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-25.8	166.1	66.1	0	0	0	0	114.2	S5 R9	S5-S7 WeakPolarHBondContact CB-OG 3.46Å; S5-S7 PolarHBondContact O-N 2.61Å; S5-S7 PolarHBondContact OG-OG 3.47Å; S5-S7 VanDerWaalsContact OG-OG 3.05Å; S7-R9 VanDerWaalsContact O-CD 3.31Å; S7-R9 WeakPolarHBondContact O-CD 3.04Å; S7-R9 WeakPolarHBondContact O-CG 3.38Å; S7-R9 PolarHBondContact O-N 3.34Å
8	L	76.7	Confident	64.2	Low	91 Å²	91	79.4 Å²	79.4	48%	0.476	44%	0.438	S	S	.	.			trans	-65.9	120.5	-176.9	-70.9	179.2	0	0	0	111.4	S5 I29	S5-L8 PolarHBondContact O-N 3.12Å; L8-I29 HydrophobicContact CB-CD1 3.95Å
9	R	81.9	Confident	64.3	Low	126 Å²	126	86.5 Å²	86.5	48%	0.475	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	127.6	-174.2	-66.9	150.5	-176.8	-99.9	18.2	108.4	S7 Y11 V27	S7-R9 VanDerWaalsContact O-CD 3.31Å; S7-R9 WeakPolarHBondContact O-CD 3.04Å; S7-R9 WeakPolarHBondContact O-CG 3.38Å; S7-R9 PolarHBondContact O-N 3.34Å; R9-Y11 HydrophobicContact CB-CE2 4.34Å; R9-V27 WeakPolarHBondContact CA-O 3.4Å
10	I	85.9	Confident	64.5	Low	51 Å²	51	89.9 Å²	89.9	26%	0.262	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	140.6	177.2	-73.4	167.8	0	0	0	108.7	K26 V27 I29 I51 L53	I10-K26 CarbonylContact O-C 3.52Å; I10-K26 WeakPolarHBondContact O-CA 3.34Å; I10-V27 PolarHBondContact N-O 3.45Å; I10-V27 PolarHBondContact O-N 2.78Å; I10-I29 HydrophobicContact CD1-CD1 4.13Å; I10-I29 HydrophobicContact CD1-CG1 3.96Å; I10-I29 HydrophobicContact CG1-CD1 4.42Å; I10-I29 HydrophobicContact CG1-CG1 4.41Å; I10-I51 HydrophobicContact CD1-CG2 3.94Å; I10-L53 HydrophobicContact CB-CD2 4.36Å; I10-L53 HydrophobicContact CD1-CD2 3.55Å
11	Y	86.8	Confident	64.4	Low	59 Å²	59	93.4 Å²	93.4	23%	0.231	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.4	172.1	-63	-97.4	0	0	0	107.5	R9 Y17 R22 K25 K26	R9-Y11 HydrophobicContact CB-CE2 4.34Å; Y11-Y17 HydrophobicContact CD1-CE2 4.18Å; Y11-Y17 HydrophobicContact CD2-CD2 4.32Å; Y11-Y17 AromaticContact CD2-CE2 3.59Å; Y11-Y17 HydrophobicContact CD2-CE2 3.59Å; Y11-Y17 HydrophobicContact CE1-CE2 4.29Å; Y11-Y17 AromaticContact CE2-CE2 3.72Å; Y11-Y17 HydrophobicContact CE2-CE2 3.72Å; Y11-Y17 HydrophobicContact CG-CD2 4.2Å; Y11-Y17 AromaticContact CG-CE2 3.84Å; Y11-Y17 HydrophobicContact CG-CE2 3.84Å; Y11-R22 HydrophobicContact CE1-CB 4.34Å; Y11-R22 HydrophobicContact CE1-CG 4.44Å; Y11-R22 PolarHBondContact OH-NE 3.29Å; Y11-K25 WeakPolarHBondContact CA-O 3.2Å; Y11-K26 HydrophobicContact CD1-CB 4.07Å; Y11-K26 HydrophobicContact CD1-CD 4.46Å; Y11-K26 HydrophobicContact CD1-CG 4.09Å; Y11-K26 HydrophobicContact CE1-CB 4.02Å; Y11-K26 HydrophobicContact CE1-CD 3.6Å; Y11-K26 HydrophobicContact CE1-CG 3.66Å; Y11-K26 WeakPolarHBondContact OH-CE 3.34Å; Y11-K26 PolarHBondContact OH-NZ 2.87Å; Y11-K26 VanDerWaalsContact OH-NZ 3.12Å
12	A	85.7	Confident	66.3	Low	17 Å²	17	91.9 Å²	91.9	14%	0.14	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	160.5	-176.2	0	0	0	0	0	111.1	G24 K25 L57 V63	A12-G24 CarbonylContact O-C 3.34Å; A12-G24 WeakPolarHBondContact O-CA 3.28Å; A12-K25 PolarHBondContact N-O 2.93Å; A12-K25 PolarHBondContact O-N 2.86Å; A12-L57 HydrophobicContact CB-CD1 3.62Å; A12-L57 HydrophobicContact CB-CD2 4.3Å; A12-V63 HydrophobicContact CB-CG1 3.7Å
13	G	80.9	Confident	68.3	Low	38 Å²	38	89.3 Å²	89.3	39%	0.392	46%	0.461	S	S	.	.	S	Bend	trans	70	28.6	-179.7	0	0	0	0	0	114.6	D61 G62	G13-D61 WeakPolarHBondContact CA-O 3.42Å; G13-G62 WeakPolarHBondContact CA-O 3.48Å
14	S	78.7	Confident	70.5	Confident	39 Å²	39	87.2 Å²	87.2	27%	0.273	45%	0.452	S	S	.	.			trans	-152.6	130.5	170	179.5	0	0	0	0	109.9	L16 R23	S14-L16 PolarHBondContact OG-N 3.15Å; S14-L16 PolarHBondContact OG-O 3.32Å; S14-R23 VanDerWaalsContact CB-C 3.42Å; S14-R23 WeakPolarHBondContact CB-O 3.16Å; S14-R23 WeakPolarHBondContact OG-CB 3.49Å
15	S	76	Confident	72.6	Confident	65 Å²	65	88.9 Å²	88.9	46%	0.455	45%	0.453	S	S	.	.	S	Bend	trans	-72.6	-35.8	166.6	51.4	0	0	0	0	111.5	Y17 L92 V93	S15-Y17 PolarHBondContact O-N 3.03Å; S15-L92 CarbonylContact O-C 3.59Å; S15-L92 WeakPolarHBondContact O-CA 3.44Å; S15-V93 WeakPolarHBondContact CB-O 3.21Å; S15-V93 PolarHBondContact O-N 3.01Å
16	L	71.1	Confident	74.6	Confident	80 Å²	80	90.5 Å²	90.5	42%	0.419	45%	0.452	S	S	.	.	B	Isolated β-bridge	trans	-77.1	121.9	178.7	-74.3	166.1	0	0	0	111.6	S14 L92	S14-L16 PolarHBondContact OG-N 3.15Å; S14-L16 PolarHBondContact OG-O 3.32Å; L16-L92 HydrophobicContact CD2-CD1 3.72Å; L16-L92 HydrophobicContact CG-CD1 3.95Å
17	Y	69.2	Low	76.4	Confident	69 Å²	69	84.8 Å²	84.8	27%	0.271	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-139.1	89	173.9	-177.3	-102.2	0	0	0	111.4	Y11 S15 R22 Y86 H91	Y11-Y17 HydrophobicContact CD1-CE2 4.18Å; Y11-Y17 HydrophobicContact CD2-CD2 4.32Å; Y11-Y17 AromaticContact CD2-CE2 3.59Å; Y11-Y17 HydrophobicContact CD2-CE2 3.59Å; Y11-Y17 HydrophobicContact CE1-CE2 4.29Å; Y11-Y17 AromaticContact CE2-CE2 3.72Å; Y11-Y17 HydrophobicContact CE2-CE2 3.72Å; Y11-Y17 HydrophobicContact CG-CD2 4.2Å; Y11-Y17 AromaticContact CG-CE2 3.84Å; Y11-Y17 HydrophobicContact CG-CE2 3.84Å; S15-Y17 PolarHBondContact O-N 3.03Å; Y17-R22 HydrophobicContact CD2-CG 4.34Å; Y17-R22 HydrophobicContact CE2-CG 3.97Å; Y17-Y86 HydrophobicContact CD1-CE2 4.05Å; Y17-Y86 WeakPolarHBondContact O-CE2 3.46Å; Y17-Y86 PolarHBondContact O-OH 3.01Å; Y17-H91 CarbonylContact C-O 3.5Å; Y17-H91 PolarHBondContact N-O 2.82Å; Y17-H91 WeakPolarHBondContact O-CB 3.31Å
18	S	64	Low	77.5	Confident	23 Å²	23	86.5 Å²	86.5	16%	0.161	41%	0.413	C	S	.	.			trans	-98.5	156.6	168.4	169.7	0	0	0	0	110.6	I20 K21 R22	S18-I20 PolarHBondContact O-N 3.35Å; S18-I20 PolarHBondContact OG-N 2.78Å; S18-K21 PolarHBondContact N-O 2.94Å; S18-K21 VanDerWaalsContact N-O 3.13Å; S18-K21 CarbonylContact O-C 3.18Å; S18-R22 WeakPolarHBondContact O-CG 3.44Å
19	R	66.7	Low	78	Confident	214 Å²	214	83.8 Å²	83.8	81%	0.808	40%	0.398	S	S	*	.	S	Bend	trans	-56.3	-34.8	168.9	-72.9	-174.6	176.4	-170.6	-0.5	112
20	I	66.8	Low	78.3	Confident	154 Å²	154	81 Å²	81	79%	0.79	40%	0.399	S	S	*	.	S	Bend	trans	-90.6	-54.2	-178.1	-57.1	168.7	0	0	0	110.2	S18 R22	S18-I20 PolarHBondContact O-N 3.35Å; S18-I20 PolarHBondContact OG-N 2.78Å; I20-R22 PolarHBondContact O-N 2.92Å
21	K	62.7	Low	78.3	Confident	163 Å²	163	81 Å²	81	71%	0.709	40%	0.403	S	S	*	.			trans	-98.9	85	-178	-63.3	-177.1	-178.6	177.5	0	110.4	S18	S18-K21 PolarHBondContact N-O 2.94Å; S18-K21 VanDerWaalsContact N-O 3.13Å; S18-K21 CarbonylContact O-C 3.18Å
22	R	69.2	Low	78.2	Confident	126 Å²	126	81.8 Å²	81.8	48%	0.475	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-93	108.3	172.4	-66.5	179.8	167.8	128.4	-6.7	110	Y11 Y17 S18 I20	Y11-R22 HydrophobicContact CE1-CB 4.34Å; Y11-R22 HydrophobicContact CE1-CG 4.44Å; Y11-R22 PolarHBondContact OH-NE 3.29Å; Y17-R22 HydrophobicContact CD2-CG 4.34Å; Y17-R22 HydrophobicContact CE2-CG 3.97Å; S18-R22 WeakPolarHBondContact O-CG 3.44Å; I20-R22 PolarHBondContact O-N 2.92Å
23	R	71	Confident	78.2	Confident	175 Å²	175	84.1 Å²	84.1	66%	0.66	42%	0.418	S	S	*	.			trans	-103.4	168.6	169.6	-74.1	-178.7	173	-175.3	-3.2	110.1	S14	S14-R23 VanDerWaalsContact CB-C 3.42Å; S14-R23 WeakPolarHBondContact CB-O 3.16Å; S14-R23 WeakPolarHBondContact OG-CB 3.49Å
24	G	80.4	Confident	78.4	Confident	41 Å²	41	85 Å²	85	42%	0.423	42%	0.415	S	S	.	.	S	Bend	trans	90.4	168.3	-179.5	0	0	0	0	0	114.8	A12	A12-G24 CarbonylContact O-C 3.34Å; A12-G24 WeakPolarHBondContact O-CA 3.28Å
25	K	86	Confident	78.7	Confident	73 Å²	73	83.6 Å²	83.6	32%	0.317	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131	179.3	-173.7	65.6	166.9	-69.6	0	110.4	Y11 A12 V27 L57 D61	Y11-K25 WeakPolarHBondContact CA-O 3.2Å; A12-K25 PolarHBondContact N-O 2.93Å; A12-K25 PolarHBondContact O-N 2.86Å; K25-V27 HydrophobicContact CG-CG2 3.98Å; K25-L57 HydrophobicContact CB-CD2 3.94Å; K25-L57 HydrophobicContact CG-CD2 3.63Å; K25-D61 HydrophobicContact CB-CB 3.87Å; K25-D61 WeakPolarHBondContact CD-OD1 3.44Å; K25-D61 HydrophobicContact CG-CB 4.08Å; K25-D61 WeakPolarHBondContact CG-OD1 3.49Å; K25-D61 VanDerWaalsContact NZ-CG 3.3Å; K25-D61 IonicContact NZ-OD1 3.51Å; K25-D61 PolarHBondContact NZ-OD1 2.91Å; K25-D61 IonicContact NZ-OD2 3.06Å; K25-D61 PolarHBondContact NZ-OD2 3.4Å
26	K	87.9	Confident	78.8	Confident	95 Å²	95	82.3 Å²	82.3	41%	0.413	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122	-179.1	-176.3	179.7	-174.9	165.6	0	110.3	I10 Y11	I10-K26 CarbonylContact O-C 3.52Å; I10-K26 WeakPolarHBondContact O-CA 3.34Å; Y11-K26 HydrophobicContact CD1-CB 4.07Å; Y11-K26 HydrophobicContact CD1-CD 4.46Å; Y11-K26 HydrophobicContact CD1-CG 4.09Å; Y11-K26 HydrophobicContact CE1-CB 4.02Å; Y11-K26 HydrophobicContact CE1-CD 3.6Å; Y11-K26 HydrophobicContact CE1-CG 3.66Å; Y11-K26 WeakPolarHBondContact OH-CE 3.34Å; Y11-K26 PolarHBondContact OH-NZ 2.87Å; Y11-K26 VanDerWaalsContact OH-NZ 3.12Å
27	V	88.8	Confident	78.9	Confident	7 Å²	7	79 Å²	79	4%	0.042	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148	-174.5	-167.3	0	0	0	0	110.9	R9 I10 K25 L53 Q55 L57	R9-V27 WeakPolarHBondContact CA-O 3.4Å; I10-V27 PolarHBondContact N-O 3.45Å; I10-V27 PolarHBondContact O-N 2.78Å; K25-V27 HydrophobicContact CG-CG2 3.98Å; V27-L53 HydrophobicContact CG1-CB 3.96Å; V27-L53 HydrophobicContact CG1-CD1 4.26Å; V27-L53 HydrophobicContact CG1-CD2 4.27Å; V27-L53 HydrophobicContact CG1-CG 4.39Å; V27-Q55 HydrophobicContact CG1-CB 4.25Å; V27-L57 HydrophobicContact CG2-CD2 3.66Å; V27-L57 HydrophobicContact CG2-CG 4.19Å
28	K	90.3	Very high	78.6	Confident	110 Å²	110	80.4 Å²	80.4	48%	0.478	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	159.1	174.8	-69.6	168.7	168.2	-174.2	0	111.5	E54	K28-E54 HydrophobicContact CB-CB 4.31Å; K28-E54 VanDerWaalsContact CB-CD 3.45Å; K28-E54 HydrophobicContact CB-CG 3.88Å; K28-E54 VanDerWaalsContact CD-CD 3.4Å; K28-E54 VanDerWaalsContact CD-OE1 3.28Å; K28-E54 WeakPolarHBondContact CD-OE1 3.39Å; K28-E54 WeakPolarHBondContact CD-OE2 3.35Å; K28-E54 IonicContact NZ-OE1 2.65Å; K28-E54 IonicContact NZ-OE2 3.26Å; K28-E54 PolarHBondContact O-N 3.31Å
29	I	88.7	Confident	78.5	Confident	34 Å²	34	85.9 Å²	85.9	17%	0.174	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.5	176.7	-64.2	174.2	0	0	0	109.4	L8 I10 S31 I51	L8-I29 HydrophobicContact CB-CD1 3.95Å; I10-I29 HydrophobicContact CD1-CD1 4.13Å; I10-I29 HydrophobicContact CD1-CG1 3.96Å; I10-I29 HydrophobicContact CG1-CD1 4.42Å; I10-I29 HydrophobicContact CG1-CG1 4.41Å; I29-S31 WeakPolarHBondContact CG2-O 3.39Å; I29-I51 HydrophobicContact CB-CG2 4.25Å; I29-I51 HydrophobicContact CD1-CG2 3.75Å; I29-I51 HydrophobicContact CG1-CG2 3.67Å; I29-I51 HydrophobicContact CG2-CG2 3.67Å
30	S	88.2	Confident	78.3	Confident	69 Å²	69	76.7 Å²	76.7	48%	0.483	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-40.5	173.3	168.4	0	0	0	0	111.7	K52	S30-K52 PolarHBondContact N-O 3.13Å
31	S	86	Confident	78.4	Confident	49 Å²	49	73.1 Å²	73.1	34%	0.343	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	160.8	172.8	66.1	0	0	0	0	111.1	I29 K52	I29-S31 WeakPolarHBondContact CG2-O 3.39Å; S31-K52 PolarHBondContact N-O 3.1Å; S31-K52 PolarHBondContact O-N 3.38Å; S31-K52 WeakPolarHBondContact OG-CB 3.45Å
32	F	83.6	Confident	78.8	Confident	76 Å²	76	71.4 Å²	71.4	33%	0.333	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	136.7	171.6	75.7	-64.3	0	0	0	108.3	W2 A4 V34 L50 I51	W2-F32 WeakPolarHBondContact O-CZ 3.49Å; A4-F32 HydrophobicContact CB-CD1 3.56Å; A4-F32 HydrophobicContact CB-CE1 3.35Å; A4-F32 HydrophobicContact CB-CZ 4.21Å; F32-V34 HydrophobicContact CD2-CG2 3.94Å; F32-V34 HydrophobicContact CE2-CG2 4Å; F32-L50 WeakPolarHBondContact CA-O 3.33Å; F32-I51 HydrophobicContact CB-CG1 4.31Å
33	N	85.6	Confident	79	Confident	66 Å²	66	72.2 Å²	72.2	35%	0.353	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.3	174	-65	-28.4	0	0	0	108.1	Y35 A49 L50 T187	N33-Y35 HydrophobicContact CB-CE2 3.62Å; N33-Y35 VanDerWaalsContact CB-OH 3.25Å; N33-Y35 WeakPolarHBondContact CB-OH 3.15Å; N33-Y35 PolarHBondContact ND2-OH 3.43Å; N33-A49 CarbonylContact O-C 3.6Å; N33-A49 VanDerWaalsContact O-CA 3.26Å; N33-A49 WeakPolarHBondContact O-CA 3.45Å; N33-L50 PolarHBondContact N-O 3.45Å; N33-L50 PolarHBondContact O-N 3.17Å; N33-T187 HydrophobicContact CB-CG2 4.2Å
34	V	85.3	Confident	79.2	Confident	57 Å²	57	64.1 Å²	64.1	35%	0.345	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.4	177.8	-176.1	0	0	0	0	109	F32 R46 A49	F32-V34 HydrophobicContact CD2-CG2 3.94Å; F32-V34 HydrophobicContact CE2-CG2 4Å; V34-R46 VanDerWaalsContact CG1-O 3.26Å; V34-R46 WeakPolarHBondContact CG1-O 3.13Å; V34-A49 HydrophobicContact CG2-CB 4.23Å
35	Y	85.3	Confident	79	Confident	10 Å²	10	68.6 Å²	68.6	4%	0.039	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	95.9	-178.7	-59.2	-81.2	0	0	0	108.8	N33 G47 I48 L50 I175 V179 V185 T187	N33-Y35 HydrophobicContact CB-CE2 3.62Å; N33-Y35 VanDerWaalsContact CB-OH 3.25Å; N33-Y35 WeakPolarHBondContact CB-OH 3.15Å; N33-Y35 PolarHBondContact ND2-OH 3.43Å; Y35-G47 WeakPolarHBondContact O-CA 3.42Å; Y35-I48 PolarHBondContact N-O 2.82Å; Y35-I48 PolarHBondContact O-N 3.28Å; Y35-L50 HydrophobicContact CE2-CB 3.98Å; Y35-I175 HydrophobicContact CD1-CG2 3.79Å; Y35-I175 HydrophobicContact CD2-CG2 4.31Å; Y35-I175 HydrophobicContact CE1-CG2 4.48Å; Y35-I175 HydrophobicContact CG-CG2 3.7Å; Y35-V179 HydrophobicContact CD1-CG2 4.49Å; Y35-V179 HydrophobicContact CE1-CG2 3.66Å; Y35-V179 HydrophobicContact CE2-CG2 4.22Å; Y35-V179 WeakPolarHBondContact OH-CG1 3.44Å; Y35-V179 WeakPolarHBondContact OH-CG2 3.49Å; Y35-V185 HydrophobicContact CD1-CB 4.45Å; Y35-V185 HydrophobicContact CD1-CG1 3.93Å; Y35-V185 HydrophobicContact CE1-CB 4.14Å; Y35-V185 HydrophobicContact CE1-CG1 4.12Å; Y35-T187 HydrophobicContact CD1-CG2 3.98Å; Y35-T187 HydrophobicContact CE1-CG2 3.45Å; Y35-T187 VanDerWaalsContact CE1-CG2 3.45Å
36	S	78	Confident	78.7	Confident	38 Å²	38	71.9 Å²	71.9	27%	0.266	35%	0.353	S	S	.	.			trans	-52.6	137.2	176.4	-55.5	0	0	0	0	111.1	R45 E188	S36-R45 CarbonylContact C-O 3.48Å; S36-R45 WeakPolarHBondContact CA-O 3.31Å; S36-E188 VanDerWaalsContact CB-OE2 3.27Å; S36-E188 WeakPolarHBondContact CB-OE2 3.37Å; S36-E188 PolarHBondContact OG-OE2 3.28Å
37	V	72.8	Confident	78.5	Confident	11 Å²	11	68 Å²	68	7%	0.067	34%	0.34	C	S	.	.			trans	-95.6	122.8	171.8	171.6	0	0	0	0	107.6	W39 R45 F117 L152	V37-W39 VanDerWaalsContact C-N 3.26Å; V37-W39 PolarHBondContact O-N 2.97Å; V37-R45 PolarHBondContact N-O 3.2Å; V37-R45 WeakPolarHBondContact O-CA 3.47Å; V37-F117 HydrophobicContact CG1-CD1 3.56Å; V37-F117 HydrophobicContact CG1-CE1 3.5Å; V37-F117 VanDerWaalsContact CG1-CE1 3.5Å; V37-L152 HydrophobicContact CG2-CD1 4.48Å
38	P	63.9	Low	78.5	Confident	97 Å²	97	67.9 Å²	67.9	63%	0.63	34%	0.339	S	S	*	.	S	Bend	trans	-58.4	-26.6	-161.7	2.7	-16.1	0	0	0	116.7	R45 F117	P38-R45 PolarHBondContact O-NE 3.15Å; P38-R45 VanDerWaalsContact O-NE 3.07Å; P38-R45 PolarHBondContact O-NH2 3.23Å; P38-F117 HydrophobicContact CB-CE1 4.37Å; P38-F117 HydrophobicContact CB-CZ 4.03Å; P38-F117 HydrophobicContact CG-CE1 3.81Å; P38-F117 HydrophobicContact CG-CZ 3.78Å
39	W	60.8	Low	78.4	Confident	139 Å²	139	65.3 Å²	65.3	53%	0.527	34%	0.339	S	S	.	.	S	Bend	trans	-138.6	166.6	177.1	150.6	127.8	0	0	0	111.4	V37 L107 F117	V37-W39 VanDerWaalsContact C-N 3.26Å; V37-W39 PolarHBondContact O-N 2.97Å; W39-L107 HydrophobicContact CH2-CD1 3.58Å; W39-L107 HydrophobicContact CZ3-CD1 3.78Å; W39-F117 HydrophobicContact CB-CD2 4.25Å; W39-F117 HydrophobicContact CB-CE1 4.26Å; W39-F117 HydrophobicContact CB-CE2 3.48Å; W39-F117 VanDerWaalsContact CB-CE2 3.48Å; W39-F117 HydrophobicContact CB-CZ 3.49Å; W39-F117 VanDerWaalsContact CB-CZ 3.49Å; W39-F117 AromaticContact CD2-CD2 3.77Å; W39-F117 HydrophobicContact CD2-CD2 3.77Å; W39-F117 AromaticContact CD2-CE2 3.92Å; W39-F117 HydrophobicContact CD2-CE2 3.92Å; W39-F117 HydrophobicContact CD2-CG 4.38Å; W39-F117 HydrophobicContact CE3-CB 4.22Å; W39-F117 HydrophobicContact CE3-CD1 4.13Å; W39-F117 AromaticContact CE3-CD2 3.39Å; W39-F117 HydrophobicContact CE3-CD2 3.39Å; W39-F117 AromaticContact CE3-CE2 3.91Å; W39-F117 HydrophobicContact CE3-CE2 3.91Å; W39-F117 AromaticContact CE3-CG 3.56Å; W39-F117 HydrophobicContact CE3-CG 3.56Å; W39-F117 HydrophobicContact CE3-CZ 4.46Å; W39-F117 HydrophobicContact CG-CD2 4.14Å; W39-F117 AromaticContact CG-CE2 3.76Å; W39-F117 HydrophobicContact CG-CE2 3.76Å; W39-F117 HydrophobicContact CG-CZ 4.26Å; W39-F117 HydrophobicContact CZ3-CB 4.31Å; W39-F117 HydrophobicContact CZ3-CD2 4.18Å; W39-F117 HydrophobicContact CZ3-CG 4.14Å; W39-F117 VanDerWaalsContact N-CZ 3.3Å
40	G	63.1	Low	78.4	Confident	21 Å²	21	65.9 Å²	65.9	22%	0.216	34%	0.342	C	S	.	.	S	Bend	trans	136.6	-177.9	-177	0	0	0	0	0	109.4	R45	G40-R45 WeakPolarHBondContact O-CD 3.48Å; G40-R45 WeakPolarHBondContact O-CG 3.32Å
41	N	68.1	Low	78.5	Confident	78 Å²	78	66.2 Å²	66.2	42%	0.417	34%	0.338	S	S	.	.	S	Bend	trans	-66.4	162.9	161.5	61.7	47.1	0	0	0	110.1	K43 V44 R45 N153	N41-K43 PolarHBondContact O-N 3.05Å; N41-K43 WeakPolarHBondContact OD1-CB 3.36Å; N41-K43 PolarHBondContact OD1-N 2.86Å; N41-V44 PolarHBondContact O-N 3.28Å; N41-V44 PolarHBondContact OD1-N 3.34Å; N41-V44 VanDerWaalsContact OD1-N 3.14Å; N41-R45 PolarHBondContact O-N 2.83Å; N41-N153 PolarHBondContact ND2-ND2 3.22Å; N41-N153 PolarHBondContact OD1-ND2 3.19Å
42	E	71.6	Confident	78.6	Confident	128 Å²	128	70.1 Å²	70.1	60%	0.598	35%	0.348	S	S	*	.	H	α-helix	trans	-54.9	-25.8	-174.5	-163.3	-118.2	121	0	0	113.7	R46	E42-R46 WeakPolarHBondContact O-CG 3.49Å; E42-R46 IonicContact OE1-CZ 2.74Å; E42-R46 VanDerWaalsContact OE1-CZ 3.26Å; E42-R46 IonicContact OE1-NE 2.64Å; E42-R46 PolarHBondContact OE1-NE 3.21Å; E42-R46 IonicContact OE1-NH2 2.8Å; E42-R46 PolarHBondContact OE1-NH2 3.31Å
43	K	74	Confident	79	Confident	143 Å²	143	68.5 Å²	68.5	62%	0.622	34%	0.343	S	S	*	.	H	α-helix	trans	-74.7	-42.9	175.3	-56.9	-179.9	-178.1	178.6	0	112.2	N41	N41-K43 PolarHBondContact O-N 3.05Å; N41-K43 WeakPolarHBondContact OD1-CB 3.36Å; N41-K43 PolarHBondContact OD1-N 2.86Å
44	V	74.8	Confident	79.2	Confident	4 Å²	4	70 Å²	70	2%	0.024	35%	0.348	C	S	.	.	H	α-helix	trans	-69.7	-37.8	175.9	171.8	0	0	0	0	111.7	N41 R46 G47 L152 N153 Y169	N41-V44 PolarHBondContact O-N 3.28Å; N41-V44 PolarHBondContact OD1-N 3.34Å; N41-V44 VanDerWaalsContact OD1-N 3.14Å; V44-R46 PolarHBondContact O-N 2.81Å; V44-G47 WeakPolarHBondContact O-CA 3.25Å; V44-G47 PolarHBondContact O-N 3.36Å; V44-L152 HydrophobicContact CG1-CD1 4.16Å; V44-L152 HydrophobicContact CG2-CB 4.4Å; V44-N153 HydrophobicContact CG2-CB 3.75Å; V44-Y169 HydrophobicContact CG1-CD1 4.42Å; V44-Y169 HydrophobicContact CG1-CE1 3.92Å; V44-Y169 HydrophobicContact CG2-CD1 4.47Å
45	R	76	Confident	79.4	Confident	136 Å²	136	72.7 Å²	72.7	51%	0.513	36%	0.356	S	S	.	.	H	α-helix	trans	-62.9	-25	-178.2	-68.2	-173.9	79.4	-161.4	1.4	114.1	S36 V37 P38 G40 N41 G47	S36-R45 CarbonylContact C-O 3.48Å; S36-R45 WeakPolarHBondContact CA-O 3.31Å; V37-R45 PolarHBondContact N-O 3.2Å; V37-R45 WeakPolarHBondContact O-CA 3.47Å; P38-R45 PolarHBondContact O-NE 3.15Å; P38-R45 VanDerWaalsContact O-NE 3.07Å; P38-R45 PolarHBondContact O-NH2 3.23Å; G40-R45 WeakPolarHBondContact O-CD 3.48Å; G40-R45 WeakPolarHBondContact O-CG 3.32Å; N41-R45 PolarHBondContact O-N 2.83Å; R45-G47 PolarHBondContact O-N 2.88Å
46	R	79.6	Confident	79.7	Confident	141 Å²	141	77.6 Å²	77.6	53%	0.532	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.1	171.3	-65.5	166.5	-174.8	-152.2	3.6	112.8	V34 E42 V44	V34-R46 VanDerWaalsContact CG1-O 3.26Å; V34-R46 WeakPolarHBondContact CG1-O 3.13Å; E42-R46 WeakPolarHBondContact O-CG 3.49Å; E42-R46 IonicContact OE1-CZ 2.74Å; E42-R46 VanDerWaalsContact OE1-CZ 3.26Å; E42-R46 IonicContact OE1-NE 2.64Å; E42-R46 PolarHBondContact OE1-NE 3.21Å; E42-R46 IonicContact OE1-NH2 2.8Å; E42-R46 PolarHBondContact OE1-NH2 3.31Å; V44-R46 PolarHBondContact O-N 2.81Å
47	G	83.9	Confident	80.2	Confident	14 Å²	14	78 Å²	78	14%	0.144	39%	0.389	C	S	.	.			trans	64.2	-148.3	169.6	0	0	0	0	0	114.5	Y35 V44 R45 L152	Y35-G47 WeakPolarHBondContact O-CA 3.42Å; V44-G47 WeakPolarHBondContact O-CA 3.25Å; V44-G47 PolarHBondContact O-N 3.36Å; R45-G47 PolarHBondContact O-N 2.88Å; G47-L152 VanDerWaalsContact O-CD2 3.24Å; G47-L152 WeakPolarHBondContact O-CD2 3.11Å
48	I	89.5	Confident	81	Confident	4 Å²	4	81.3 Å²	81.3	2%	0.021	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	148.9	-173.9	59.7	-177.5	0	0	0	111.5	Y35 V150 L152 I175 I176	Y35-I48 PolarHBondContact N-O 2.82Å; Y35-I48 PolarHBondContact O-N 3.28Å; I48-V150 HydrophobicContact CG2-CB 3.9Å; I48-V150 HydrophobicContact CG2-CG1 4.11Å; I48-V150 HydrophobicContact CG2-CG2 4.43Å; I48-L152 HydrophobicContact CG2-CD2 3.98Å; I48-I175 HydrophobicContact CD1-CB 4.42Å; I48-I176 HydrophobicContact CD1-CD1 3.69Å; I48-I176 HydrophobicContact CD1-CG1 3.64Å; I48-I176 HydrophobicContact CG1-CD1 4.23Å
49	A	88.1	Confident	82.1	Confident	56 Å²	56	86.4 Å²	86.4	46%	0.463	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.8	177.3	0	0	0	0	0	111.2	N33 V34	N33-A49 CarbonylContact O-C 3.6Å; N33-A49 VanDerWaalsContact O-CA 3.26Å; N33-A49 WeakPolarHBondContact O-CA 3.45Å; V34-A49 HydrophobicContact CG2-CB 4.23Å
50	L	89.1	Confident	83.3	Confident	47 Å²	47	89.6 Å²	89.6	25%	0.246	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.1	168.6	-175.2	64	0	0	0	108.8	F32 N33 Y35 I176 V179 L180	F32-L50 WeakPolarHBondContact CA-O 3.33Å; N33-L50 PolarHBondContact N-O 3.45Å; N33-L50 PolarHBondContact O-N 3.17Å; Y35-L50 HydrophobicContact CE2-CB 3.98Å; L50-I176 HydrophobicContact CB-CD1 4.23Å; L50-I176 HydrophobicContact CD1-CG2 4.48Å; L50-V179 HydrophobicContact CD2-CB 4.4Å; L50-V179 HydrophobicContact CD2-CG1 3.54Å; L50-L180 HydrophobicContact CD2-CD2 4.18Å
51	I	89.1	Confident	84.4	Confident	76 Å²	76	90 Å²	90	39%	0.39	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.7	-176.1	-54.6	177.7	0	0	0	109.4	I10 I29 F32	I10-I51 HydrophobicContact CD1-CG2 3.94Å; I29-I51 HydrophobicContact CB-CG2 4.25Å; I29-I51 HydrophobicContact CD1-CG2 3.75Å; I29-I51 HydrophobicContact CG1-CG2 3.67Å; I29-I51 HydrophobicContact CG2-CG2 3.67Å; F32-I51 HydrophobicContact CB-CG1 4.31Å
52	K	89.2	Confident	85.2	Confident	131 Å²	131	88.9 Å²	88.9	57%	0.57	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	127.2	173.2	-172.5	179.4	178.6	-178.9	0	109.7	S30 S31	S30-K52 PolarHBondContact N-O 3.13Å; S31-K52 PolarHBondContact N-O 3.1Å; S31-K52 PolarHBondContact O-N 3.38Å; S31-K52 WeakPolarHBondContact OG-CB 3.45Å
53	L	91.3	Very high	85.8	Confident	41 Å²	41	84.4 Å²	84.4	22%	0.215	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	152.5	174.3	-56.5	-178.1	0	0	0	111.5	I10 V27 Q55 L57	I10-L53 HydrophobicContact CB-CD2 4.36Å; I10-L53 HydrophobicContact CD1-CD2 3.55Å; V27-L53 HydrophobicContact CG1-CB 3.96Å; V27-L53 HydrophobicContact CG1-CD1 4.26Å; V27-L53 HydrophobicContact CG1-CD2 4.27Å; V27-L53 HydrophobicContact CG1-CG 4.39Å; L53-Q55 VanDerWaalsContact C-N 3.27Å; L53-Q55 WeakPolarHBondContact CB-O 3.36Å; L53-L57 HydrophobicContact CD1-CD1 3.71Å; L53-L57 HydrophobicContact CD1-CG 3.9Å
54	E	89.8	Confident	86.3	Confident	99 Å²	99	83.5 Å²	83.5	46%	0.463	42%	0.424	S	S	.	.	S	Bend	trans	-66	-31	167.2	-75.2	-172.9	-169.4	0	0	112.4	K28	K28-E54 HydrophobicContact CB-CB 4.31Å; K28-E54 VanDerWaalsContact CB-CD 3.45Å; K28-E54 HydrophobicContact CB-CG 3.88Å; K28-E54 VanDerWaalsContact CD-CD 3.4Å; K28-E54 VanDerWaalsContact CD-OE1 3.28Å; K28-E54 WeakPolarHBondContact CD-OE1 3.39Å; K28-E54 WeakPolarHBondContact CD-OE2 3.35Å; K28-E54 IonicContact NZ-OE1 2.65Å; K28-E54 IonicContact NZ-OE2 3.26Å; K28-E54 PolarHBondContact O-N 3.31Å
55	Q	90.1	Very high	86.8	Confident	112 Å²	112	87.7 Å²	87.7	52%	0.523	45%	0.452	S	S	.	.	S	Bend	trans	-132.5	136.3	-179.4	-64.1	179	-4.3	0	0	109.3	V27 L53	V27-Q55 HydrophobicContact CG1-CB 4.25Å; L53-Q55 VanDerWaalsContact C-N 3.27Å; L53-Q55 WeakPolarHBondContact CB-O 3.36Å
56	P	90	Very high	87.5	Confident	114 Å²	114	84.9 Å²	84.9	74%	0.74	45%	0.446	S	S	*	.			trans	-67.1	142.5	173.4	29.7	-34.2	0	0	0	110.3
57	L	90.1	Very high	88.1	Confident	47 Å²	47	79.2 Å²	79.2	25%	0.246	43%	0.428	C	S	.	.			trans	-85.5	140.5	169.1	-70.1	162	0	0	0	109.5	A12 K25 V27 L53 D61 V63	A12-L57 HydrophobicContact CB-CD1 3.62Å; A12-L57 HydrophobicContact CB-CD2 4.3Å; K25-L57 HydrophobicContact CB-CD2 3.94Å; K25-L57 HydrophobicContact CG-CD2 3.63Å; V27-L57 HydrophobicContact CG2-CD2 3.66Å; V27-L57 HydrophobicContact CG2-CG 4.19Å; L53-L57 HydrophobicContact CD1-CD1 3.71Å; L53-L57 HydrophobicContact CD1-CG 3.9Å; L57-D61 HydrophobicContact CD2-CB 3.94Å; L57-V63 HydrophobicContact CB-CG2 3.74Å; L57-V63 HydrophobicContact CD1-CG1 4.41Å
58	V	89.2	Confident	88.6	Confident	80 Å²	80	81.6 Å²	81.6	49%	0.485	44%	0.437	S	S	.	.			trans	-119	166.7	178.1	-64.9	0	0	0	0	111.3	K60 D61 V63	V58-K60 HydrophobicContact CG2-CB 4.07Å; V58-K60 PolarHBondContact O-N 2.93Å; V58-D61 WeakPolarHBondContact CG2-OD2 3.34Å; V58-D61 PolarHBondContact N-OD2 2.84Å; V58-D61 VanDerWaalsContact O-CB 3.31Å; V58-D61 WeakPolarHBondContact O-CB 3.13Å; V58-D61 PolarHBondContact O-N 2.77Å; V58-V63 WeakPolarHBondContact O-CG2 3.4Å
59	R	87	Confident	88.8	Confident	204 Å²	204	81.6 Å²	81.6	77%	0.77	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-54	-29.8	178.6	-66.5	-177.6	-176.2	136.2	-0.2	113.8	D61 G62 V63	R59-D61 PolarHBondContact O-N 3.47Å; R59-G62 PolarHBondContact O-N 3.02Å; R59-G62 VanDerWaalsContact O-N 3.15Å; R59-V63 WeakPolarHBondContact CA-O 3.31Å
60	K	86.3	Confident	88.9	Confident	206 Å²	206	81.2 Å²	81.2	90%	0.896	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-66.4	-18.1	174.7	-60.4	-172.4	178.6	-174.8	0	114.1	V58 G62	V58-K60 HydrophobicContact CG2-CB 4.07Å; V58-K60 PolarHBondContact O-N 2.93Å; K60-G62 PolarHBondContact O-N 2.98Å
61	D	86.5	Confident	88.8	Confident	28 Å²	28	83.7 Å²	83.7	15%	0.15	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-84.2	7.7	173.6	-63.8	-50.9	0	0	0	113	G13 K25 L57 V58 R59	G13-D61 WeakPolarHBondContact CA-O 3.42Å; K25-D61 HydrophobicContact CB-CB 3.87Å; K25-D61 WeakPolarHBondContact CD-OD1 3.44Å; K25-D61 HydrophobicContact CG-CB 4.08Å; K25-D61 WeakPolarHBondContact CG-OD1 3.49Å; K25-D61 VanDerWaalsContact NZ-CG 3.3Å; K25-D61 IonicContact NZ-OD1 3.51Å; K25-D61 PolarHBondContact NZ-OD1 2.91Å; K25-D61 IonicContact NZ-OD2 3.06Å; K25-D61 PolarHBondContact NZ-OD2 3.4Å; L57-D61 HydrophobicContact CD2-CB 3.94Å; V58-D61 WeakPolarHBondContact CG2-OD2 3.34Å; V58-D61 PolarHBondContact N-OD2 2.84Å; V58-D61 VanDerWaalsContact O-CB 3.31Å; V58-D61 WeakPolarHBondContact O-CB 3.13Å; V58-D61 PolarHBondContact O-N 2.77Å; R59-D61 PolarHBondContact O-N 3.47Å
62	G	83.3	Confident	88.5	Confident	55 Å²	55	84.5 Å²	84.5	57%	0.567	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	18.3	-179.4	0	0	0	0	0	114.5	G13 R59 K60	G13-G62 WeakPolarHBondContact CA-O 3.48Å; R59-G62 PolarHBondContact O-N 3.02Å; R59-G62 VanDerWaalsContact O-N 3.15Å; K60-G62 PolarHBondContact O-N 2.98Å
63	V	85.8	Confident	88.5	Confident	34 Å²	34	82.2 Å²	82.2	21%	0.206	43%	0.433	C	S	.	.			trans	-110.5	147.2	178.9	-58.8	0	0	0	0	112.8	A12 L57 V58 R59	A12-V63 HydrophobicContact CB-CG1 3.7Å; L57-V63 HydrophobicContact CB-CG2 3.74Å; L57-V63 HydrophobicContact CD1-CG1 4.41Å; V58-V63 WeakPolarHBondContact O-CG2 3.4Å; R59-V63 WeakPolarHBondContact CA-O 3.31Å
64	V	83.3	Confident	88.5	Confident	124 Å²	124	82.4 Å²	82.4	75%	0.752	43%	0.434	S	S	*	.			trans	-114.4	126.9	171.4	-176.7	0	0	0	0	108.1
65	P	85.7	Confident	88.5	Confident	93 Å²	93	77.8 Å²	77.8	60%	0.604	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-71	136.3	175	29.6	-33.8	0	0	0	110.6
66	I	89.8	Confident	88.3	Confident	77 Å²	77	74 Å²	74	40%	0.395	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-97.9	142.6	177.5	-56.9	173.9	0	0	0	108.3	T138 A145 Q147	I66-T138 HydrophobicContact CD1-CG2 4.16Å; I66-T138 HydrophobicContact CG2-CG2 3.98Å; I66-A145 HydrophobicContact CG2-CB 4.17Å; I66-A145 WeakPolarHBondContact CG2-O 3.46Å; I66-Q147 HydrophobicContact CG2-CB 3.97Å
67	C	93.4	Very high	87.9	Confident	22 Å²	22	73 Å²	73	15%	0.149	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	141	173.3	-61	0	0	0	0	109.9	A145 F146 Q147	C67-A145 WeakPolarHBondContact CB-O 3.46Å; C67-A145 PolarHBondContact N-O 2.76Å; C67-F146 HydrophobicContact CB-CD1 3.51Å; C67-F146 HydrophobicContact CB-CE1 3.73Å; C67-F146 HydrophobicContact CB-CG 4.18Å; C67-F146 CarbonylContact O-C 3.58Å; C67-F146 VanDerWaalsContact O-CA 3.31Å; C67-F146 WeakPolarHBondContact O-CA 3.44Å; C67-Q147 PolarHBondContact O-N 3.28Å
68	L	93.6	Very high	87	Confident	64 Å²	64	76.8 Å²	76.8	34%	0.335	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	135	162.1	-60.8	176.4	0	0	0	108.2	L173 L180	L68-L173 HydrophobicContact CD2-CD1 4.18Å; L68-L180 HydrophobicContact CD1-CD1 3.53Å
69	A	93.4	Very high	86.5	Confident	4 Å²	4	73.9 Å²	73.9	3%	0.033	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-58.4	147	168.9	0	0	0	0	0	110.4	Q147 Y148 H177	A69-Q147 VanDerWaalsContact CB-O 3.27Å; A69-Q147 WeakPolarHBondContact CB-O 3.27Å; A69-Q147 PolarHBondContact N-O 3.48Å; A69-Y148 HydrophobicContact CB-CD1 3.28Å; A69-Y148 HydrophobicContact CB-CD2 4.09Å; A69-Y148 HydrophobicContact CB-CE1 3.42Å; A69-Y148 VanDerWaalsContact CB-CE1 3.42Å; A69-Y148 HydrophobicContact CB-CE2 4.2Å; A69-Y148 HydrophobicContact CB-CG 3.63Å; A69-H177 PolarHBondContact O-CE1 3.09Å; A69-H177 PolarHBondContact O-NE2 2.99Å
70	P	90	Very high	86.3	Confident	47 Å²	47	65.5 Å²	65.5	31%	0.305	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-53.7	152.2	171.7	-27.4	38.2	0	0	0	112.2	E73	P70-E73 HydrophobicContact CB-CB 4.21Å; P70-E73 VanDerWaalsContact CG-OE2 3.28Å; P70-E73 WeakPolarHBondContact CG-OE2 3.19Å; P70-E73 WeakPolarHBondContact O-CB 3.42Å; P70-E73 PolarHBondContact O-N 3.48Å
71	R	87.4	Confident	86.4	Confident	100 Å²	100	55.8 Å²	55.8	38%	0.377	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	146	174.7	-72.8	179.1	176.3	-102.4	6.6	110.5	E73 H177 D178	R71-E73 PolarHBondContact O-N 2.92Å; R71-H177 HydrophobicContact CG-CB 3.95Å; R71-D178 IonicContact CZ-OD1 3.51Å; R71-D178 VanDerWaalsContact CZ-OD1 3.24Å; R71-D178 IonicContact NH1-OD1 3.35Å; R71-D178 PolarHBondContact NH1-OD1 3.07Å; R71-D178 IonicContact NH2-OD1 3.79Å; R71-D178 PolarHBondContact NH2-OD1 2.89Å
72	D	83	Confident	86.7	Confident	93 Å²	93	58.1 Å²	58.1	50%	0.497	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-16	178.8	-59.9	-90.9	0	0	0	116.9	R105 R118	D72-R105 PolarHBondContact O-NH2 3.3Å; D72-R118 IonicContact OD1-CZ 3.24Å; D72-R118 IonicContact OD1-NH1 2.84Å; D72-R118 PolarHBondContact OD1-NH1 3.33Å; D72-R118 IonicContact OD1-NH2 2.94Å; D72-R118 PolarHBondContact OD1-NH2 3.26Å
73	E	89.4	Confident	87.1	Confident	82 Å²	82	55.7 Å²	55.7	38%	0.383	30%	0.299	S	S	.	.			trans	-69.5	143.9	-175.7	-157.6	-172.4	106.3	0	0	112.2	P70 R71 Y148	P70-E73 HydrophobicContact CB-CB 4.21Å; P70-E73 VanDerWaalsContact CG-OE2 3.28Å; P70-E73 WeakPolarHBondContact CG-OE2 3.19Å; P70-E73 WeakPolarHBondContact O-CB 3.42Å; P70-E73 PolarHBondContact O-N 3.48Å; R71-E73 PolarHBondContact O-N 2.92Å; E73-Y148 HydrophobicContact CB-CE1 4.22Å; E73-Y148 HydrophobicContact CG-CE1 4.15Å; E73-Y148 WeakPolarHBondContact OE1-CE1 3.42Å; E73-Y148 PolarHBondContact OE1-OH 2.92Å
74	L	90.7	Very high	87.3	Confident	45 Å²	45	55.6 Å²	55.6	24%	0.236	30%	0.299	C	S	.	.			trans	-108.3	150.3	176.7	-67	171.3	0	0	0	110.3	P76 P104 R105 I120	L74-P76 WeakPolarHBondContact O-CD 3.25Å; L74-P104 HydrophobicContact CB-CB 4.36Å; L74-P104 HydrophobicContact CD1-CB 4.08Å; L74-P104 HydrophobicContact CD1-CG 4.17Å; L74-P104 HydrophobicContact CD2-CB 4.15Å; L74-P104 HydrophobicContact CG-CB 4.44Å; L74-R105 HydrophobicContact CD1-CG 3.85Å; L74-R105 HydrophobicContact CD2-CG 3.8Å; L74-R105 HydrophobicContact CG-CG 4.41Å; L74-I120 HydrophobicContact CD2-CG1 4.18Å
75	P	90.7	Very high	87.6	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.019	26%	0.264	C	S	.	.			trans	-49.9	126.4	168	-27.4	34.4	0	0	0	111.5	L77 V100 I120 I137 Y148	P75-L77 PolarHBondContact O-N 2.8Å; P75-V100 HydrophobicContact CB-CG1 4.19Å; P75-V100 HydrophobicContact CB-CG2 3.73Å; P75-V100 HydrophobicContact CG-CG2 4.39Å; P75-I120 HydrophobicContact CG-CD1 4.14Å; P75-I120 HydrophobicContact CG-CG2 4.19Å; P75-I137 HydrophobicContact CG-CD1 4.49Å; P75-Y148 HydrophobicContact CB-CD2 4.38Å; P75-Y148 HydrophobicContact CB-CG 4.42Å; P75-Y148 HydrophobicContact CG-CD1 3.91Å; P75-Y148 HydrophobicContact CG-CD2 3.94Å; P75-Y148 HydrophobicContact CG-CG 3.58Å
76	P	86.5	Confident	87.9	Confident	33 Å²	33	47.8 Å²	47.8	21%	0.214	25%	0.245	C	C	.	.			trans	-61.3	132.9	172.9	-21.5	32.4	0	0	0	110.1	L74 H78 A79 I141	L74-P76 WeakPolarHBondContact O-CD 3.25Å; P76-H78 PolarHBondContact O-N 2.93Å; P76-A79 HydrophobicContact CB-CB 4.18Å; P76-A79 HydrophobicContact CG-CB 4.36Å; P76-A79 WeakPolarHBondContact O-CB 3.46Å; P76-A79 PolarHBondContact O-N 3.49Å; P76-I141 HydrophobicContact CG-CD1 3.82Å
77	L	79.9	Confident	87.9	Confident	92 Å²	92	44.3 Å²	44.3	48%	0.482	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-6.4	-177.3	-67.9	178.1	0	0	0	115.1	P75 V100 A101 P104	P75-L77 PolarHBondContact O-N 2.8Å; L77-V100 HydrophobicContact CD2-CB 4.28Å; L77-V100 HydrophobicContact CD2-CG1 4.08Å; L77-A101 WeakPolarHBondContact CD2-O 3.37Å; L77-P104 HydrophobicContact CD2-CG 3.97Å
78	H	72.8	Confident	87.6	Confident	126 Å²	126	49.5 Å²	49.5	58%	0.583	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-1.8	177.7	62.1	-103	0	0	0	113.4	P76 S942	P76-H78 PolarHBondContact O-N 2.93Å; H78-S942 WeakPolarHBondContact O-CB 3.18Å
79	A	76.9	Confident	87.3	Confident	20 Å²	20	50 Å²	50	17%	0.165	25%	0.252	C	S	.	.	S	Bend	trans	-80.5	144.6	-179.8	0	0	0	0	0	111.2	P76 C81 C139 I141	P76-A79 HydrophobicContact CB-CB 4.18Å; P76-A79 HydrophobicContact CG-CB 4.36Å; P76-A79 WeakPolarHBondContact O-CB 3.46Å; P76-A79 PolarHBondContact O-N 3.49Å; A79-C81 PolarHBondContact O-N 3.29Å; A79-C139 HydrophobicContact CB-CB 4.31Å; A79-I141 HydrophobicContact CB-CG1 3.97Å
80	S	83.7	Confident	87	Confident	28 Å²	28	54.8 Å²	54.8	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	102.6	172.9	-59.4	0	0	0	0	109.2	Y82 C139 I140	S80-Y82 WeakPolarHBondContact O-CE2 3.33Å; S80-C139 WeakPolarHBondContact O-CA 3.05Å; S80-I140 PolarHBondContact O-N 3.09Å
81	C	89.5	Confident	86.9	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	143.4	177.7	-61.2	0	0	0	0	111.5	A79 L97 V98 V100 I137 T138 C139	A79-C81 PolarHBondContact O-N 3.29Å; C81-L97 CarbonylContact O-C 3.56Å; C81-L97 WeakPolarHBondContact O-CA 3.4Å; C81-L97 WeakPolarHBondContact O-CD1 3.45Å; C81-V98 HydrophobicContact CB-CG2 4.17Å; C81-V98 PolarHBondContact O-N 3.31Å; C81-V100 HydrophobicContact CB-CG2 4.25Å; C81-I137 HydrophobicContact CB-CD1 4.43Å; C81-I137 HydrophobicContact CB-CG1 4.32Å; C81-T138 CarbonylContact C-O 3.52Å; C81-T138 WeakPolarHBondContact CA-O 3.41Å; C81-C139 HydrophobicContact CB-CB 4.09Å; C81-C139 WeakPolarHBondContact CB-SG 3.15Å; C81-C139 WeakPolarHBondContact SG-CB 3.43Å; C81-C139 CovalentContact SG-SG 2.04Å; C81-C139 PolarHBondContact SG-SG 2.84Å
82	Y	91.1	Very high	86.8	Confident	78 Å²	78	53.4 Å²	53.4	31%	0.306	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.2	-176.9	-58.8	-94.3	0	0	0	110.4	S80 E96 L97 T138 I140	S80-Y82 WeakPolarHBondContact O-CE2 3.33Å; Y82-E96 CarbonylContact C-O 3.58Å; Y82-E96 VanDerWaalsContact CA-O 3.26Å; Y82-E96 WeakPolarHBondContact CA-O 3.4Å; Y82-L97 HydrophobicContact CD1-CB 4.27Å; Y82-L97 HydrophobicContact CD1-CD1 4.14Å; Y82-L97 HydrophobicContact CE1-CB 4.15Å; Y82-L97 HydrophobicContact CE1-CD1 3.62Å; Y82-L97 HydrophobicContact CE2-CD1 4.16Å; Y82-T138 PolarHBondContact N-O 2.89Å; Y82-T138 PolarHBondContact O-N 2.93Å; Y82-I140 HydrophobicContact CD2-CD1 4.49Å; Y82-I140 HydrophobicContact CE2-CD1 3.92Å; Y82-I140 HydrophobicContact CE2-CG1 4.38Å
83	V	91.5	Very high	87	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.9	166.2	71.3	0	0	0	0	109.6	E95 E96 V98 Q132 A135 Y170	V83-E95 WeakPolarHBondContact O-CA 3.41Å; V83-E96 PolarHBondContact N-O 3.01Å; V83-E96 PolarHBondContact O-N 2.95Å; V83-V98 HydrophobicContact CB-CG1 4.22Å; V83-V98 HydrophobicContact CG1-CG1 3.56Å; V83-Q132 HydrophobicContact CG2-CG 4.07Å; V83-A135 HydrophobicContact CG2-CB 3.59Å; V83-Y170 HydrophobicContact CG2-CE1 3.95Å; V83-Y170 WeakPolarHBondContact CG2-OH 3.43Å
84	S	90.3	Very high	86.8	Confident	31 Å²	31	49.8 Å²	49.8	22%	0.217	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.4	174.8	64.7	0	0	0	0	111.5	E94 A135	S84-E94 CarbonylContact C-O 3.48Å; S84-E94 WeakPolarHBondContact CA-O 3.4Å; S84-A135 WeakPolarHBondContact O-CB 3.1Å
85	H	91	Very high	86.6	Confident	5 Å²	5	55.2 Å²	55.2	2%	0.023	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.8	172.4	58.9	-94.5	0	0	0	111.5	V93 E94 E96 Y130	H85-V93 WeakPolarHBondContact O-CA 3.28Å; H85-E94 IonicContact CD2-OE2 3.4Å; H85-E94 IonicContact CE1-OE2 3.28Å; H85-E94 PolarHBondContact N-O 3.16Å; H85-E94 WeakPolarHBondContact NE2-CB 3.46Å; H85-E94 IonicContact NE2-OE2 2.75Å; H85-E94 PolarHBondContact NE2-OE2 2.7Å; H85-E94 PolarHBondContact O-N 3.28Å; H85-E96 IonicContact CE1-OE2 2.72Å; H85-Y130 HydrophobicContact CB-CD2 4.12Å; H85-Y130 HydrophobicContact CB-CG 4.28Å; H85-Y130 AromaticContact CD2-CD1 3.72Å; H85-Y130 AromaticContact CD2-CD2 3.43Å; H85-Y130 VanDerWaalsContact CD2-CD2 3.43Å; H85-Y130 WeakPolarHBondContact CD2-CD2 3.26Å; H85-Y130 AromaticContact CD2-CE1 3.68Å; H85-Y130 AromaticContact CD2-CE2 3.4Å; H85-Y130 VanDerWaalsContact CD2-CE2 3.4Å; H85-Y130 WeakPolarHBondContact CD2-CE2 3.22Å; H85-Y130 AromaticContact CD2-CG 3.59Å; H85-Y130 AromaticContact CD2-CZ 3.51Å; H85-Y130 AromaticContact CE1-CD2 3.92Å; H85-Y130 AromaticContact CE1-CE2 3.33Å; H85-Y130 WeakPolarHBondContact CE1-CE2 3.45Å; H85-Y130 AromaticContact CE1-CZ 3.72Å; H85-Y130 AromaticContact CG-CD2 3.5Å; H85-Y130 AromaticContact CG-CE2 3.73Å; H85-Y130 AromaticContact CG-CG 3.92Å; H85-Y130 AromaticContact ND1-CD2 3.83Å; H85-Y130 AromaticContact ND1-CE2 3.7Å; H85-Y130 AromaticContact NE2-CD2 3.69Å; H85-Y130 AromaticContact NE2-CE1 3.65Å; H85-Y130 AromaticContact NE2-CE2 3.12Å; H85-Y130 WeakPolarHBondContact NE2-CE2 3.48Å; H85-Y130 AromaticContact NE2-CZ 3.07Å; H85-Y130 PolarHBondContact NE2-OH 3.37Å
86	Y	90.4	Very high	86.3	Confident	48 Å²	48	57.8 Å²	57.8	19%	0.188	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113.3	168.3	170.2	-103.4	0	0	0	109.9	Y17 R88 H91 V93 L131	Y17-Y86 HydrophobicContact CD1-CE2 4.05Å; Y17-Y86 WeakPolarHBondContact O-CE2 3.46Å; Y17-Y86 PolarHBondContact O-OH 3.01Å; Y86-R88 HydrophobicContact CD1-CG 4.16Å; Y86-R88 HydrophobicContact CE1-CB 4.41Å; Y86-R88 HydrophobicContact CE1-CG 3.97Å; Y86-R88 PolarHBondContact O-N 2.91Å; Y86-H91 PolarHBondContact OH-ND1 3.2Å; Y86-V93 HydrophobicContact CD2-CG2 4.2Å; Y86-L131 HydrophobicContact CD1-CB 4.23Å; Y86-L131 HydrophobicContact CD1-CD2 4.4Å; Y86-L131 PolarHBondContact N-O 2.86Å; Y86-L131 PolarHBondContact O-N 2.9Å
87	D	90.4	Very high	86	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.027	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	111.1	171.2	-173.2	-31.1	0	0	0	109.5	S89 K90 H91 L92 Y130	D87-S89 PolarHBondContact O-N 3.39Å; D87-S89 WeakPolarHBondContact OD1-CA 3.37Å; D87-S89 WeakPolarHBondContact OD1-CB 3.36Å; D87-S89 PolarHBondContact OD1-N 3.49Å; D87-S89 PolarHBondContact OD1-OG 2.99Å; D87-K90 HydrophobicContact CB-CB 4.2Å; D87-K90 HydrophobicContact CB-CG 4.47Å; D87-K90 PolarHBondContact O-N 3Å; D87-K90 PolarHBondContact OD1-N 3.34Å; D87-K90 VanDerWaalsContact OD1-N 3.09Å; D87-K90 WeakPolarHBondContact OD2-CG 3.29Å; D87-K90 IonicContact OD2-NZ 2.61Å; D87-K90 PolarHBondContact OD2-NZ 2.95Å; D87-H91 PolarHBondContact O-N 2.97Å; D87-L92 PolarHBondContact N-O 2.84Å; D87-Y130 HydrophobicContact CB-CD1 4.15Å; D87-Y130 HydrophobicContact CB-CE1 3.98Å; D87-Y130 WeakPolarHBondContact OD2-CE1 3.26Å
88	R	88.1	Confident	86.2	Confident	130 Å²	130	54 Å²	54	49%	0.491	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.9	179.7	-67.2	174.7	168.9	-138.8	-6.4	113	Y86 N129	Y86-R88 HydrophobicContact CD1-CG 4.16Å; Y86-R88 HydrophobicContact CE1-CB 4.41Å; Y86-R88 HydrophobicContact CE1-CG 3.97Å; Y86-R88 PolarHBondContact O-N 2.91Å; R88-N129 VanDerWaalsContact CB-O 3.29Å; R88-N129 WeakPolarHBondContact CB-O 3.48Å; R88-N129 VanDerWaalsContact CG-O 3.28Å; R88-N129 WeakPolarHBondContact CG-O 3.4Å; R88-N129 PolarHBondContact N-O 2.64Å
89	S	87	Confident	86.4	Confident	75 Å²	75	51.1 Å²	51.1	52%	0.524	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-35.9	-177.6	69.7	0	0	0	0	113	D87	D87-S89 PolarHBondContact O-N 3.39Å; D87-S89 WeakPolarHBondContact OD1-CA 3.37Å; D87-S89 WeakPolarHBondContact OD1-CB 3.36Å; D87-S89 PolarHBondContact OD1-N 3.49Å; D87-S89 PolarHBondContact OD1-OG 2.99Å
90	K	86.9	Confident	86.8	Confident	105 Å²	105	50.9 Å²	50.9	46%	0.457	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-12.1	176.6	-58.9	-165.8	-151.2	88.4	0	114.6	D87 L92 E94	D87-K90 HydrophobicContact CB-CB 4.2Å; D87-K90 HydrophobicContact CB-CG 4.47Å; D87-K90 PolarHBondContact O-N 3Å; D87-K90 PolarHBondContact OD1-N 3.34Å; D87-K90 VanDerWaalsContact OD1-N 3.09Å; D87-K90 WeakPolarHBondContact OD2-CG 3.29Å; D87-K90 IonicContact OD2-NZ 2.61Å; D87-K90 PolarHBondContact OD2-NZ 2.95Å; K90-L92 HydrophobicContact CB-CB 3.98Å; K90-L92 PolarHBondContact O-N 2.94Å; K90-E94 WeakPolarHBondContact CD-OE1 3.28Å; K90-E94 WeakPolarHBondContact CE-OE1 3.09Å; K90-E94 VanDerWaalsContact NZ-CD 3.31Å; K90-E94 IonicContact NZ-OE1 3.82Å; K90-E94 PolarHBondContact NZ-OE1 2.97Å; K90-E94 IonicContact NZ-OE2 3.65Å; K90-E94 PolarHBondContact NZ-OE2 2.94Å; K90-E94 VanDerWaalsContact NZ-OE2 3.16Å
91	H	86.8	Confident	86.6	Confident	75 Å²	75	50.1 Å²	50.1	35%	0.347	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	38.4	-170.5	-65.4	-43.5	0	0	0	113.1	Y17 Y86 D87	Y17-H91 CarbonylContact C-O 3.5Å; Y17-H91 PolarHBondContact N-O 2.82Å; Y17-H91 WeakPolarHBondContact O-CB 3.31Å; Y86-H91 PolarHBondContact OH-ND1 3.2Å; D87-H91 PolarHBondContact O-N 2.97Å
92	L	87	Confident	85.5	Confident	42 Å²	42	56.1 Å²	56.1	22%	0.22	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.6	-170.9	-171.4	69.6	0	0	0	110.2	S15 L16 D87 K90 E94	S15-L92 CarbonylContact O-C 3.59Å; S15-L92 WeakPolarHBondContact O-CA 3.44Å; L16-L92 HydrophobicContact CD2-CD1 3.72Å; L16-L92 HydrophobicContact CG-CD1 3.95Å; D87-L92 PolarHBondContact N-O 2.84Å; K90-L92 HydrophobicContact CB-CB 3.98Å; K90-L92 PolarHBondContact O-N 2.94Å; L92-E94 HydrophobicContact CB-CG 4.5Å; L92-E94 HydrophobicContact CD2-CG 3.7Å; L92-E94 HydrophobicContact CG-CG 3.99Å
93	V	86.5	Confident	84.8	Confident	56 Å²	56	57.8 Å²	57.8	34%	0.339	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121	161.2	-175.4	0	0	0	0	107.6	S15 H85 Y86	S15-V93 WeakPolarHBondContact CB-O 3.21Å; S15-V93 PolarHBondContact O-N 3.01Å; H85-V93 WeakPolarHBondContact O-CA 3.28Å; Y86-V93 HydrophobicContact CD2-CG2 4.2Å
94	E	85.3	Confident	84.2	Confident	44 Å²	44	58.5 Å²	58.5	21%	0.206	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	161.4	177.1	-62.3	173.7	153.8	0	0	109	S84 H85 K90 L92 Y130	S84-E94 CarbonylContact C-O 3.48Å; S84-E94 WeakPolarHBondContact CA-O 3.4Å; H85-E94 IonicContact CD2-OE2 3.4Å; H85-E94 IonicContact CE1-OE2 3.28Å; H85-E94 PolarHBondContact N-O 3.16Å; H85-E94 WeakPolarHBondContact NE2-CB 3.46Å; H85-E94 IonicContact NE2-OE2 2.75Å; H85-E94 PolarHBondContact NE2-OE2 2.7Å; H85-E94 PolarHBondContact O-N 3.28Å; K90-E94 WeakPolarHBondContact CD-OE1 3.28Å; K90-E94 WeakPolarHBondContact CE-OE1 3.09Å; K90-E94 VanDerWaalsContact NZ-CD 3.31Å; K90-E94 IonicContact NZ-OE1 3.82Å; K90-E94 PolarHBondContact NZ-OE1 2.97Å; K90-E94 IonicContact NZ-OE2 3.65Å; K90-E94 PolarHBondContact NZ-OE2 2.94Å; K90-E94 VanDerWaalsContact NZ-OE2 3.16Å; L92-E94 HydrophobicContact CB-CG 4.5Å; L92-E94 HydrophobicContact CD2-CG 3.7Å; L92-E94 HydrophobicContact CG-CG 3.99Å; E94-Y130 PolarHBondContact OE2-OH 2.93Å
95	E	86.5	Confident	83.9	Confident	158 Å²	158	58.8 Å²	58.8	74%	0.738	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.9	174.6	-63.6	-178.5	140.8	0	0	109.3	V83	V83-E95 WeakPolarHBondContact O-CA 3.41Å
96	E	83.6	Confident	83.1	Confident	58 Å²	58	58.8 Å²	58.8	27%	0.271	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.9	-179.3	-175.9	149.5	-149.2	0	0	110.4	Y82 V83 H85 V98 R127	Y82-E96 CarbonylContact C-O 3.58Å; Y82-E96 VanDerWaalsContact CA-O 3.26Å; Y82-E96 WeakPolarHBondContact CA-O 3.4Å; V83-E96 PolarHBondContact N-O 3.01Å; V83-E96 PolarHBondContact O-N 2.95Å; H85-E96 IonicContact CE1-OE2 2.72Å; E96-V98 PolarHBondContact O-N 3.22Å; E96-R127 IonicContact OE1-CZ 3.55Å; E96-R127 VanDerWaalsContact OE1-CZ 3.27Å; E96-R127 IonicContact OE1-NH1 2.7Å; E96-R127 PolarHBondContact OE1-NH1 3.16Å; E96-R127 IonicContact OE1-NH2 2.74Å; E96-R127 PolarHBondContact OE1-NH2 2.74Å; E96-R127 IonicContact OE2-CZ 3.72Å; E96-R127 IonicContact OE2-NH1 3.24Å; E96-R127 PolarHBondContact OE2-NH1 2.91Å; E96-R127 IonicContact OE2-NH2 3.27Å
97	L	80.6	Confident	81.9	Confident	41 Å²	41	60.2 Å²	60.2	22%	0.215	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	124	176.5	-175.8	87.1	0	0	0	109.3	C81 Y82	C81-L97 CarbonylContact O-C 3.56Å; C81-L97 WeakPolarHBondContact O-CA 3.4Å; C81-L97 WeakPolarHBondContact O-CD1 3.45Å; Y82-L97 HydrophobicContact CD1-CB 4.27Å; Y82-L97 HydrophobicContact CD1-CD1 4.14Å; Y82-L97 HydrophobicContact CE1-CB 4.15Å; Y82-L97 HydrophobicContact CE1-CD1 3.62Å; Y82-L97 HydrophobicContact CE2-CD1 4.16Å
98	V	83.4	Confident	80.1	Confident	5 Å²	5	63 Å²	63	3%	0.03	30%	0.303	C	S	.	.			trans	-117.9	130.5	-177.6	-66.4	0	0	0	0	111.8	C81 V83 E96 T122 D124 I137	C81-V98 HydrophobicContact CB-CG2 4.17Å; C81-V98 PolarHBondContact O-N 3.31Å; V83-V98 HydrophobicContact CB-CG1 4.22Å; V83-V98 HydrophobicContact CG1-CG1 3.56Å; E96-V98 PolarHBondContact O-N 3.22Å; V98-T122 HydrophobicContact CB-CG2 4.14Å; V98-T122 HydrophobicContact CG2-CG2 3.97Å; V98-D124 HydrophobicContact CG1-CB 3.93Å; V98-I137 HydrophobicContact CG2-CD1 4.41Å; V98-I137 HydrophobicContact CG2-CG1 4.4Å
99	M	77.9	Confident	77.6	Confident	64 Å²	64	60.1 Å²	60.1	32%	0.315	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-84.4	125.3	177.1	-67.6	-58.8	-62.3	0	0	110.6	T122 M123 T539	M99-T122 CarbonylContact O-C 3.45Å; M99-T122 VanDerWaalsContact O-CA 3.28Å; M99-T122 WeakPolarHBondContact O-CA 2.91Å; M99-T122 WeakPolarHBondContact O-CB 3.37Å; M99-M123 HydrophobicContact CB-CB 4.23Å; M99-M123 HydrophobicContact CB-CG 4.3Å; M99-M123 PolarHBondContact O-N 3.3Å; M99-T539 HydrophobicContact CE-CG2 4.15Å; M99-T539 HydrophobicContact CG-CG2 4.25Å; M99-T539 HydrophobicContact SD-CG2 3.88Å
100	V	85.1	Confident	75.5	Confident	16 Å²	16	62.1 Å²	62.1	10%	0.097	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	133.5	176.1	-176	0	0	0	0	109.9	P75 L77 C81 P104 T122	P75-V100 HydrophobicContact CB-CG1 4.19Å; P75-V100 HydrophobicContact CB-CG2 3.73Å; P75-V100 HydrophobicContact CG-CG2 4.39Å; L77-V100 HydrophobicContact CD2-CB 4.28Å; L77-V100 HydrophobicContact CD2-CG1 4.08Å; C81-V100 HydrophobicContact CB-CG2 4.25Å; V100-P104 HydrophobicContact CG1-CB 3.76Å; V100-P104 HydrophobicContact CG1-CG 4.02Å; V100-T122 HydrophobicContact CG2-CG2 4.47Å
101	A	79.7	Confident	73.2	Confident	11 Å²	11	66.3 Å²	66.3	9%	0.091	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	143.5	179.6	0	0	0	0	0	111.4	L77 K103 P104 C121	L77-A101 WeakPolarHBondContact CD2-O 3.37Å; A101-K103 CarbonylContact O-C 3.47Å; A101-K103 PolarHBondContact O-N 2.86Å; A101-K103 VanDerWaalsContact O-N 3.12Å; A101-P104 VanDerWaalsContact O-CA 3.29Å; A101-P104 WeakPolarHBondContact O-CA 3.25Å; A101-P104 WeakPolarHBondContact O-CD 3.42Å; A101-P104 WeakPolarHBondContact O-CG 3.46Å; A101-C121 HydrophobicContact CB-CB 3.69Å; A101-C121 WeakPolarHBondContact CB-O 3.48Å; A101-C121 PolarHBondContact N-O 2.87Å
102	R	67.3	Low	71.1	Confident	127 Å²	127	71 Å²	71	48%	0.479	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	-22.2	-175.9	-83.9	-153.9	179.8	166.7	16	115.5	P985	R102-P985 VanDerWaalsContact NH1-C 3.32Å; R102-P985 PolarHBondContact NH1-O 3.25Å; R102-P985 PolarHBondContact NH2-O 2.87Å
103	K	75.4	Confident	69.3	Low	113 Å²	113	79.3 Å²	79.3	49%	0.491	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	97.6	154.1	-173.4	-173.8	178.8	178.6	0	104.7	A101 R105 D108	A101-K103 CarbonylContact O-C 3.47Å; A101-K103 PolarHBondContact O-N 2.86Å; A101-K103 VanDerWaalsContact O-N 3.12Å; K103-R105 WeakPolarHBondContact CE-O 3.27Å; K103-R105 WeakPolarHBondContact CG-O 3.37Å; K103-R105 PolarHBondContact O-N 2.87Å; K103-D108 VanDerWaalsContact NZ-C 3.33Å; K103-D108 PolarHBondContact NZ-O 2.7Å
104	P	78.9	Confident	67.2	Low	19 Å²	19	85.6 Å²	85.6	12%	0.123	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	-31.3	-173.6	-24.1	33.3	0	0	0	111.3	L74 L77 V100 A101 C106 I120 C121	L74-P104 HydrophobicContact CB-CB 4.36Å; L74-P104 HydrophobicContact CD1-CB 4.08Å; L74-P104 HydrophobicContact CD1-CG 4.17Å; L74-P104 HydrophobicContact CD2-CB 4.15Å; L74-P104 HydrophobicContact CG-CB 4.44Å; L77-P104 HydrophobicContact CD2-CG 3.97Å; V100-P104 HydrophobicContact CG1-CB 3.76Å; V100-P104 HydrophobicContact CG1-CG 4.02Å; A101-P104 VanDerWaalsContact O-CA 3.29Å; A101-P104 WeakPolarHBondContact O-CA 3.25Å; A101-P104 WeakPolarHBondContact O-CD 3.42Å; A101-P104 WeakPolarHBondContact O-CG 3.46Å; P104-C106 PolarHBondContact O-N 3Å; P104-I120 CarbonylContact O-C 3.57Å; P104-I120 VanDerWaalsContact O-CA 3.27Å; P104-I120 WeakPolarHBondContact O-CA 3.46Å; P104-C121 PolarHBondContact O-N 3.24Å
105	R	84.9	Confident	65.3	Low	37 Å²	37	92.2 Å²	92.2	14%	0.14	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	104.5	174	-63.2	-178.7	167.4	-64.3	-19.7	110.7	D72 L74 K103 D108 R118 G119 E172	D72-R105 PolarHBondContact O-NH2 3.3Å; L74-R105 HydrophobicContact CD1-CG 3.85Å; L74-R105 HydrophobicContact CD2-CG 3.8Å; L74-R105 HydrophobicContact CG-CG 4.41Å; K103-R105 WeakPolarHBondContact CE-O 3.27Å; K103-R105 WeakPolarHBondContact CG-O 3.37Å; K103-R105 PolarHBondContact O-N 2.87Å; R105-D108 HydrophobicContact CB-CB 3.96Å; R105-D108 WeakPolarHBondContact CD-OD2 3.36Å; R105-R118 VanDerWaalsContact NH1-NE 3.15Å; R105-G119 WeakPolarHBondContact CA-O 3.26Å; R105-E172 IonicContact CZ-OE1 3.73Å; R105-E172 IonicContact CZ-OE2 3.96Å; R105-E172 VanDerWaalsContact CZ-OE2 3.24Å; R105-E172 IonicContact NH1-OE1 2.77Å; R105-E172 PolarHBondContact NH1-OE1 3.19Å; R105-E172 IonicContact NH1-OE2 3.73Å; R105-E172 PolarHBondContact NH1-OE2 2.82Å; R105-E172 IonicContact NH2-OE1 3.69Å; R105-E172 IonicContact NH2-OE2 3.52Å; R105-E172 PolarHBondContact NH2-OE2 3.37Å
106	C	74.3	Confident	63.6	Low	6 Å²	6	87.1 Å²	87.1	4%	0.041	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	150.7	166	-55.7	0	0	0	0	110.6	P104 D108 G119 C121 I155 Y169	P104-C106 PolarHBondContact O-N 3Å; C106-D108 PolarHBondContact O-N 3.36Å; C106-G119 WeakPolarHBondContact CB-O 3.16Å; C106-G119 PolarHBondContact N-O 3.26Å; C106-G119 PolarHBondContact SG-O 3.12Å; C106-C121 VanDerWaalsContact CA-SG 3.53Å; C106-C121 HydrophobicContact CB-CB 4.3Å; C106-C121 WeakPolarHBondContact CB-SG 3.02Å; C106-C121 WeakPolarHBondContact SG-CA 3.27Å; C106-C121 WeakPolarHBondContact SG-CB 3.5Å; C106-C121 PolarHBondContact SG-N 3.11Å; C106-C121 CovalentContact SG-SG 2.03Å; C106-C121 PolarHBondContact SG-SG 2.88Å; C106-I155 HydrophobicContact CB-CD1 4.19Å; C106-Y169 HydrophobicContact CB-CD2 3.9Å; C106-Y169 HydrophobicContact CB-CE2 3.97Å; C106-Y169 VanDerWaalsContact SG-CD2 3.57Å
107	L	63.6	Low	62.1	Low	78 Å²	78	86.1 Å²	86.1	41%	0.408	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	11.7	160.6	-57	172.2	0	0	0	117.5	W39 A109 I155 Y169	W39-L107 HydrophobicContact CH2-CD1 3.58Å; W39-L107 HydrophobicContact CZ3-CD1 3.78Å; L107-A109 PolarHBondContact O-N 3.24Å; L107-I155 HydrophobicContact CD1-CD1 4.38Å; L107-I155 HydrophobicContact CG-CD1 4.32Å; L107-Y169 HydrophobicContact CD1-CE2 4.45Å
108	D	52.5	Low	61.8	Low	62 Å²	62	88.2 Å²	88.2	33%	0.332	42%	0.419	S	S	.	.			trans	-83.3	55.2	-172.6	-158	18	0	0	0	111.7	K103 R105 C106 T116	K103-D108 VanDerWaalsContact NZ-C 3.33Å; K103-D108 PolarHBondContact NZ-O 2.7Å; R105-D108 HydrophobicContact CB-CB 3.96Å; R105-D108 WeakPolarHBondContact CD-OD2 3.36Å; C106-D108 PolarHBondContact O-N 3.36Å; D108-T116 PolarHBondContact OD1-OG1 2.61Å
109	A	37.1	Very low	61.8	Low	70 Å²	70	88 Å²	88	58%	0.579	42%	0.418	S	S	*	.			trans	-164.1	83.6	-177	0	0	0	0	0	111.7	L107	L107-A109 PolarHBondContact O-N 3.24Å
110	D	41.4	Very low	62.4	Low	118 Å²	118	84.9 Å²	84.9	63%	0.631	40%	0.403	S	S	*	.			trans	-142.7	118.1	149.2	-160.6	-11.3	0	0	0	109.1	K112	D110-K112 PolarHBondContact O-N 2.95Å
111	H	40	Very low	62.5	Low	193 Å²	193	84.3 Å²	84.3	89%	0.894	40%	0.399	S	S	*	.			trans	-78.7	25.9	-165.8	-76.2	-84.1	0	0	0	113.8
112	K	43.3	Very low	62.9	Low	172 Å²	172	83.8 Å²	83.8	75%	0.748	40%	0.395	S	S	*	.	S	Bend	trans	-133.8	75.2	-168.1	-67.9	-176.4	-179.6	174.9	0	114.3	D110 K114	D110-K112 PolarHBondContact O-N 2.95Å; K112-K114 VanDerWaalsContact C-N 3.34Å; K112-K114 PolarHBondContact O-N 2.76Å
113	K	47.9	Very low	63.4	Low	218 Å²	218	81 Å²	81	95%	0.948	39%	0.388	S	S	*	.	S	Bend	trans	55.2	24.7	153.6	-68.3	-168.5	173.7	-176	0	118.8
114	K	43.2	Very low	63.4	Low	188 Å²	188	76.4 Å²	76.4	82%	0.817	37%	0.369	S	S	*	.	S	Bend	trans	-130.4	143.1	159.7	-81.3	-175.7	175.1	175.8	0	110.1	K112 T116	K112-K114 VanDerWaalsContact C-N 3.34Å; K112-K114 PolarHBondContact O-N 2.76Å; K114-T116 PolarHBondContact O-N 2.75Å
115	H	44.5	Very low	63.2	Low	183 Å²	183	80.6 Å²	80.6	85%	0.847	39%	0.387	S	S	*	.			trans	-60.4	122.2	178.6	-67.6	-84.2	0	0	0	110.1
116	T	50.6	Low	62.9	Low	50 Å²	50	85.3 Å²	85.3	31%	0.307	41%	0.408	S	S	.	.			trans	-67.2	153.3	176.8	36.8	0	0	0	0	111.1	D108 K114 R118	D108-T116 PolarHBondContact OD1-OG1 2.61Å; K114-T116 PolarHBondContact O-N 2.75Å; T116-R118 PolarHBondContact O-N 3.26Å
117	F	53.6	Low	63.4	Low	38 Å²	38	89 Å²	89	17%	0.167	42%	0.421	C	S	.	.			trans	-82.1	103.5	-175.6	-81.1	-89.4	0	0	0	111.5	V37 P38 W39 G119	V37-F117 HydrophobicContact CG1-CD1 3.56Å; V37-F117 HydrophobicContact CG1-CE1 3.5Å; V37-F117 VanDerWaalsContact CG1-CE1 3.5Å; P38-F117 HydrophobicContact CB-CE1 4.37Å; P38-F117 HydrophobicContact CB-CZ 4.03Å; P38-F117 HydrophobicContact CG-CE1 3.81Å; P38-F117 HydrophobicContact CG-CZ 3.78Å; W39-F117 HydrophobicContact CB-CD2 4.25Å; W39-F117 HydrophobicContact CB-CE1 4.26Å; W39-F117 HydrophobicContact CB-CE2 3.48Å; W39-F117 VanDerWaalsContact CB-CE2 3.48Å; W39-F117 HydrophobicContact CB-CZ 3.49Å; W39-F117 VanDerWaalsContact CB-CZ 3.49Å; W39-F117 AromaticContact CD2-CD2 3.77Å; W39-F117 HydrophobicContact CD2-CD2 3.77Å; W39-F117 AromaticContact CD2-CE2 3.92Å; W39-F117 HydrophobicContact CD2-CE2 3.92Å; W39-F117 HydrophobicContact CD2-CG 4.38Å; W39-F117 HydrophobicContact CE3-CB 4.22Å; W39-F117 HydrophobicContact CE3-CD1 4.13Å; W39-F117 AromaticContact CE3-CD2 3.39Å; W39-F117 HydrophobicContact CE3-CD2 3.39Å; W39-F117 AromaticContact CE3-CE2 3.91Å; W39-F117 HydrophobicContact CE3-CE2 3.91Å; W39-F117 AromaticContact CE3-CG 3.56Å; W39-F117 HydrophobicContact CE3-CG 3.56Å; W39-F117 HydrophobicContact CE3-CZ 4.46Å; W39-F117 HydrophobicContact CG-CD2 4.14Å; W39-F117 AromaticContact CG-CE2 3.76Å; W39-F117 HydrophobicContact CG-CE2 3.76Å; W39-F117 HydrophobicContact CG-CZ 4.26Å; W39-F117 HydrophobicContact CZ3-CB 4.31Å; W39-F117 HydrophobicContact CZ3-CD2 4.18Å; W39-F117 HydrophobicContact CZ3-CG 4.14Å; W39-F117 VanDerWaalsContact N-CZ 3.3Å; F117-G119 PolarHBondContact O-N 2.95Å; F117-G119 VanDerWaalsContact O-N 3.07Å
118	R	73.2	Confident	64.2	Low	84 Å²	84	90.9 Å²	90.9	32%	0.317	44%	0.439	S	S	.	.			trans	-55.4	106.8	164.4	-73.7	-169.3	96.2	147.3	23.8	110.2	D72 R105 T116 E172 D174	D72-R118 IonicContact OD1-CZ 3.24Å; D72-R118 IonicContact OD1-NH1 2.84Å; D72-R118 PolarHBondContact OD1-NH1 3.33Å; D72-R118 IonicContact OD1-NH2 2.94Å; D72-R118 PolarHBondContact OD1-NH2 3.26Å; R105-R118 VanDerWaalsContact NH1-NE 3.15Å; T116-R118 PolarHBondContact O-N 3.26Å; R118-E172 VanDerWaalsContact C-OE1 3.31Å; R118-E172 WeakPolarHBondContact CA-OE1 3.16Å; R118-E172 HydrophobicContact CB-CB 4.35Å; R118-E172 HydrophobicContact CB-CG 4.38Å; R118-E172 VanDerWaalsContact CB-OE1 3.29Å; R118-E172 WeakPolarHBondContact CB-OE1 3.32Å; R118-E172 IonicContact CZ-OE2 2.73Å; R118-E172 IonicContact NE-OE1 2.7Å; R118-E172 IonicContact NE-OE2 2.89Å; R118-E172 PolarHBondContact NE-OE2 2.93Å; R118-E172 IonicContact NH2-OE2 2.68Å; R118-D174 WeakPolarHBondContact CD-OD2 3.39Å; R118-D174 IonicContact CZ-OD2 2.71Å; R118-D174 VanDerWaalsContact CZ-OD2 3.28Å; R118-D174 IonicContact NE-OD2 3.17Å; R118-D174 PolarHBondContact NE-OD2 2.8Å; R118-D174 IonicContact NH1-OD2 2.74Å; R118-D174 PolarHBondContact NH1-OD2 3.5Å
119	G	84.3	Confident	65.9	Low	0 Å²	0	92 Å²	92	0%	0	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	146.1	172.7	0	0	0	0	0	110.2	R105 C106 F117 Y170 E172	R105-G119 WeakPolarHBondContact CA-O 3.26Å; C106-G119 WeakPolarHBondContact CB-O 3.16Å; C106-G119 PolarHBondContact N-O 3.26Å; C106-G119 PolarHBondContact SG-O 3.12Å; F117-G119 PolarHBondContact O-N 2.95Å; F117-G119 VanDerWaalsContact O-N 3.07Å; G119-Y170 CarbonylContact C-O 3.57Å; G119-Y170 WeakPolarHBondContact CA-O 3.45Å; G119-E172 PolarHBondContact N-OE1 3.5Å
120	I	89.8	Confident	68.3	Low	0 Å²	0	90.8 Å²	90.8	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.6	179.5	-64.4	162.3	0	0	0	109.2	L74 P75 P104 I137 Y148 Y170 E172	L74-I120 HydrophobicContact CD2-CG1 4.18Å; P75-I120 HydrophobicContact CG-CD1 4.14Å; P75-I120 HydrophobicContact CG-CG2 4.19Å; P104-I120 CarbonylContact O-C 3.57Å; P104-I120 VanDerWaalsContact O-CA 3.27Å; P104-I120 WeakPolarHBondContact O-CA 3.46Å; I120-I137 HydrophobicContact CG2-CD1 4.21Å; I120-Y148 WeakPolarHBondContact CD1-O 3.45Å; I120-Y170 PolarHBondContact N-O 2.04Å; I120-Y170 PolarHBondContact O-N 3.03Å; I120-E172 HydrophobicContact CD1-CG 4.06Å; I120-E172 HydrophobicContact CG1-CG 3.92Å
121	C	88	Confident	70.6	Confident	4 Å²	4	89 Å²	89	3%	0.027	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.4	179.4	-92.8	0	0	0	0	110.9	A101 P104 C106 L167 G168	A101-C121 HydrophobicContact CB-CB 3.69Å; A101-C121 WeakPolarHBondContact CB-O 3.48Å; A101-C121 PolarHBondContact N-O 2.87Å; P104-C121 PolarHBondContact O-N 3.24Å; C106-C121 VanDerWaalsContact CA-SG 3.53Å; C106-C121 HydrophobicContact CB-CB 4.3Å; C106-C121 WeakPolarHBondContact CB-SG 3.02Å; C106-C121 WeakPolarHBondContact SG-CA 3.27Å; C106-C121 WeakPolarHBondContact SG-CB 3.5Å; C106-C121 PolarHBondContact SG-N 3.11Å; C106-C121 CovalentContact SG-SG 2.03Å; C106-C121 PolarHBondContact SG-SG 2.88Å; C121-L167 HydrophobicContact CB-CD1 4.38Å; C121-G168 WeakPolarHBondContact CA-O 3.27Å
122	T	88.1	Confident	73.1	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	163.3	168.6	46.8	0	0	0	0	112.2	V98 M99 V100 D124 I137 L167 G168 Y170	V98-T122 HydrophobicContact CB-CG2 4.14Å; V98-T122 HydrophobicContact CG2-CG2 3.97Å; M99-T122 CarbonylContact O-C 3.45Å; M99-T122 VanDerWaalsContact O-CA 3.28Å; M99-T122 WeakPolarHBondContact O-CA 2.91Å; M99-T122 WeakPolarHBondContact O-CB 3.37Å; V100-T122 HydrophobicContact CG2-CG2 4.47Å; T122-D124 VanDerWaalsContact C-OD1 3.28Å; T122-D124 WeakPolarHBondContact CB-OD1 3.12Å; T122-D124 PolarHBondContact O-N 2.93Å; T122-D124 VanDerWaalsContact OG1-CG 3.31Å; T122-D124 PolarHBondContact OG1-OD1 3.01Å; T122-I137 HydrophobicContact CG2-CD1 3.55Å; T122-L167 VanDerWaalsContact O-CA 3.28Å; T122-L167 WeakPolarHBondContact O-CA 3.33Å; T122-L167 WeakPolarHBondContact O-CB 3.49Å; T122-L167 WeakPolarHBondContact O-CD2 3.09Å; T122-G168 PolarHBondContact N-O 3.16Å; T122-G168 VanDerWaalsContact N-O 3.14Å; T122-G168 PolarHBondContact O-N 3.46Å; T122-G168 VanDerWaalsContact O-N 3.14Å; T122-Y170 HydrophobicContact CG2-CE2 4.45Å; T122-Y170 WeakPolarHBondContact OG1-CE2 3.09Å
123	M	77.1	Confident	75.3	Confident	69 Å²	69	78.5 Å²	78.5	34%	0.34	37%	0.372	S	S	.	.			trans	-95.9	55.8	-180	-53	-72.3	-58.1	0	0	110.7	M99 L167	M99-M123 HydrophobicContact CB-CB 4.23Å; M99-M123 HydrophobicContact CB-CG 4.3Å; M99-M123 PolarHBondContact O-N 3.3Å; M123-L167 HydrophobicContact CE-CD2 4.48Å; M123-L167 HydrophobicContact SD-CD2 3.51Å; M123-L167 VanDerWaalsContact SD-CD2 3.51Å
124	D	76.4	Confident	77.4	Confident	15 Å²	15	70.3 Å²	70.3	8%	0.08	35%	0.35	C	S	.	.			trans	-99.4	145.6	-178.3	44.5	-36.3	0	0	0	113.4	V98 T122 Q132 H154 G168 Y170	V98-D124 HydrophobicContact CG1-CB 3.93Å; T122-D124 VanDerWaalsContact C-OD1 3.28Å; T122-D124 WeakPolarHBondContact CB-OD1 3.12Å; T122-D124 PolarHBondContact O-N 2.93Å; T122-D124 VanDerWaalsContact OG1-CG 3.31Å; T122-D124 PolarHBondContact OG1-OD1 3.01Å; D124-Q132 PolarHBondContact OD2-NE2 3.11Å; D124-H154 PolarHBondContact O-NE2 2.87Å; D124-G168 WeakPolarHBondContact OD1-CA 3.24Å; D124-G168 PolarHBondContact OD1-N 2.84Å; D124-Y170 PolarHBondContact OD2-OH 3.4Å
125	E	73.1	Confident	79.8	Confident	107 Å²	107	61.7 Å²	61.7	50%	0.5	31%	0.314	S	S	.	.			trans	-93.9	123.3	179.3	-72.3	-170.8	153.8	0	0	112.1	R127	E125-R127 PolarHBondContact O-N 2.8Å; E125-R127 IonicContact OE2-NH2 3.58Å
126	K	80.2	Confident	82.2	Confident	137 Å²	137	54.4 Å²	54.4	60%	0.596	28%	0.283	S	S	*	.			trans	-69.9	94	175.8	-169.6	-170.6	170.2	-165	0	112.6	H154 M166	K126-H154 PolarHBondContact N-NE2 3.42Å; K126-M166 HydrophobicContact CD-CE 4.42Å
127	R	82.7	Confident	84.3	Confident	82 Å²	82	52 Å²	52	31%	0.309	27%	0.268	S	S	.	.			trans	-82.3	137.4	172.7	-54.8	-164.2	-174.6	112.1	18.3	111.9	E96 E125 N129 Y130	E96-R127 IonicContact OE1-CZ 3.55Å; E96-R127 VanDerWaalsContact OE1-CZ 3.27Å; E96-R127 IonicContact OE1-NH1 2.7Å; E96-R127 PolarHBondContact OE1-NH1 3.16Å; E96-R127 IonicContact OE1-NH2 2.74Å; E96-R127 PolarHBondContact OE1-NH2 2.74Å; E96-R127 IonicContact OE2-CZ 3.72Å; E96-R127 IonicContact OE2-NH1 3.24Å; E96-R127 PolarHBondContact OE2-NH1 2.91Å; E96-R127 IonicContact OE2-NH2 3.27Å; E125-R127 PolarHBondContact O-N 2.8Å; E125-R127 IonicContact OE2-NH2 3.58Å; R127-N129 PolarHBondContact O-N 2.8Å; R127-Y130 HydrophobicContact CB-CD1 4.3Å; R127-Y130 HydrophobicContact CB-CD2 3.78Å; R127-Y130 HydrophobicContact CB-CE2 4.14Å; R127-Y130 HydrophobicContact CB-CG 3.88Å; R127-Y130 HydrophobicContact CG-CD2 4.15Å; R127-Y130 HydrophobicContact CG-CE2 4.11Å; R127-Y130 VanDerWaalsContact NH1-CE2 3.3Å; R127-Y130 PolarHBondContact NH1-OH 3.48Å; R127-Y130 PolarHBondContact O-N 2.81Å
128	P	81.2	Confident	86.2	Confident	119 Å²	119	51.2 Å²	51.2	77%	0.773	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-28.6	-173	27.4	-35.3	0	0	0	114	Y130	P128-Y130 VanDerWaalsContact C-N 3.28Å; P128-Y130 PolarHBondContact O-N 3.02Å
129	N	87.5	Confident	87.1	Confident	84 Å²	84	47.2 Å²	47.2	45%	0.449	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-6.9	-179.2	-65.9	-1.5	0	0	0	113.1	R88 R127	R88-N129 VanDerWaalsContact CB-O 3.29Å; R88-N129 WeakPolarHBondContact CB-O 3.48Å; R88-N129 VanDerWaalsContact CG-O 3.28Å; R88-N129 WeakPolarHBondContact CG-O 3.4Å; R88-N129 PolarHBondContact N-O 2.64Å; R127-N129 PolarHBondContact O-N 2.8Å
130	Y	89.4	Confident	87.3	Confident	46 Å²	46	51.2 Å²	51.2	18%	0.18	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.7	-172	-72.9	4.8	0	0	0	112	H85 D87 E94 R127 P128	H85-Y130 HydrophobicContact CB-CD2 4.12Å; H85-Y130 HydrophobicContact CB-CG 4.28Å; H85-Y130 AromaticContact CD2-CD1 3.72Å; H85-Y130 AromaticContact CD2-CD2 3.43Å; H85-Y130 VanDerWaalsContact CD2-CD2 3.43Å; H85-Y130 WeakPolarHBondContact CD2-CD2 3.26Å; H85-Y130 AromaticContact CD2-CE1 3.68Å; H85-Y130 AromaticContact CD2-CE2 3.4Å; H85-Y130 VanDerWaalsContact CD2-CE2 3.4Å; H85-Y130 WeakPolarHBondContact CD2-CE2 3.22Å; H85-Y130 AromaticContact CD2-CG 3.59Å; H85-Y130 AromaticContact CD2-CZ 3.51Å; H85-Y130 AromaticContact CE1-CD2 3.92Å; H85-Y130 AromaticContact CE1-CE2 3.33Å; H85-Y130 WeakPolarHBondContact CE1-CE2 3.45Å; H85-Y130 AromaticContact CE1-CZ 3.72Å; H85-Y130 AromaticContact CG-CD2 3.5Å; H85-Y130 AromaticContact CG-CE2 3.73Å; H85-Y130 AromaticContact CG-CG 3.92Å; H85-Y130 AromaticContact ND1-CD2 3.83Å; H85-Y130 AromaticContact ND1-CE2 3.7Å; H85-Y130 AromaticContact NE2-CD2 3.69Å; H85-Y130 AromaticContact NE2-CE1 3.65Å; H85-Y130 AromaticContact NE2-CE2 3.12Å; H85-Y130 WeakPolarHBondContact NE2-CE2 3.48Å; H85-Y130 AromaticContact NE2-CZ 3.07Å; H85-Y130 PolarHBondContact NE2-OH 3.37Å; D87-Y130 HydrophobicContact CB-CD1 4.15Å; D87-Y130 HydrophobicContact CB-CE1 3.98Å; D87-Y130 WeakPolarHBondContact OD2-CE1 3.26Å; E94-Y130 PolarHBondContact OE2-OH 2.93Å; R127-Y130 HydrophobicContact CB-CD1 4.3Å; R127-Y130 HydrophobicContact CB-CD2 3.78Å; R127-Y130 HydrophobicContact CB-CE2 4.14Å; R127-Y130 HydrophobicContact CB-CG 3.88Å; R127-Y130 HydrophobicContact CG-CD2 4.15Å; R127-Y130 HydrophobicContact CG-CE2 4.11Å; R127-Y130 VanDerWaalsContact NH1-CE2 3.3Å; R127-Y130 PolarHBondContact NH1-OH 3.48Å; R127-Y130 PolarHBondContact O-N 2.81Å; P128-Y130 VanDerWaalsContact C-N 3.28Å; P128-Y130 PolarHBondContact O-N 3.02Å
131	L	89.5	Confident	87.1	Confident	80 Å²	80	52.8 Å²	52.8	42%	0.419	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	103.2	169	-179.4	61.6	0	0	0	109.3	Y86 L133	Y86-L131 HydrophobicContact CD1-CB 4.23Å; Y86-L131 HydrophobicContact CD1-CD2 4.4Å; Y86-L131 PolarHBondContact N-O 2.86Å; Y86-L131 PolarHBondContact O-N 2.9Å; L131-L133 HydrophobicContact CD1-CB 4.36Å
132	Q	90.8	Very high	87	Confident	23 Å²	23	60.3 Å²	60.3	11%	0.107	32%	0.319	C	S	.	.			trans	-108.7	-9.3	-176.5	-165.6	-174.9	3.5	0	0	112.7	V83 D124 G134 A135 Y151 H154 Y170	V83-Q132 HydrophobicContact CG2-CG 4.07Å; D124-Q132 PolarHBondContact OD2-NE2 3.11Å; Q132-G134 PolarHBondContact O-N 2.67Å; Q132-A135 HydrophobicContact CG-CB 4.21Å; Q132-A135 WeakPolarHBondContact O-CB 3.34Å; Q132-A135 PolarHBondContact O-N 3.29Å; Q132-Y151 HydrophobicContact CB-CD1 4.05Å; Q132-Y151 HydrophobicContact CB-CE1 3.94Å; Q132-Y151 HydrophobicContact CG-CD1 3.85Å; Q132-Y151 HydrophobicContact CG-CD2 4.04Å; Q132-Y151 HydrophobicContact CG-CE1 4.06Å; Q132-Y151 HydrophobicContact CG-CE2 4.24Å; Q132-Y151 HydrophobicContact CG-CG 3.84Å; Q132-Y151 WeakPolarHBondContact O-CD1 3.37Å; Q132-H154 PolarHBondContact OE1-CE1 3.01Å; Q132-Y170 PolarHBondContact NE2-OH 3.21Å
133	L	91	Very high	86.8	Confident	122 Å²	122	63.8 Å²	63.8	64%	0.639	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	121.4	-176	-177.5	62	0	0	0	111.7	L131 L152	L131-L133 HydrophobicContact CD1-CB 4.36Å; L133-L152 WeakPolarHBondContact CD1-O 3.04Å
134	G	91.7	Very high	87.4	Confident	46 Å²	46	67.3 Å²	67.3	47%	0.474	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	3.4	-176.4	0	0	0	0	0	114.9	Q132 Y151	Q132-G134 PolarHBondContact O-N 2.67Å; G134-Y151 PolarHBondContact N-O 2.94Å
135	A	93.3	Very high	88.1	Confident	7 Å²	7	68.3 Å²	68.3	6%	0.058	38%	0.376	C	S	.	.			trans	-66.2	141.5	178.3	0	0	0	0	0	112.4	V83 S84 Q132 V150 Y151	V83-A135 HydrophobicContact CG2-CB 3.59Å; S84-A135 WeakPolarHBondContact O-CB 3.1Å; Q132-A135 HydrophobicContact CG-CB 4.21Å; Q132-A135 WeakPolarHBondContact O-CB 3.34Å; Q132-A135 PolarHBondContact O-N 3.29Å; A135-V150 WeakPolarHBondContact O-CA 3.35Å; A135-Y151 PolarHBondContact O-N 3.17Å
136	P	94.4	Very high	89.1	Confident	30 Å²	30	65 Å²	65	20%	0.195	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	140.8	170.9	32	-34.9	0	0	0	110.9	Q147 G149	P136-Q147 HydrophobicContact CB-CG 3.73Å; P136-G149 WeakPolarHBondContact CA-O 3.27Å
137	I	94.6	Very high	89.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	115.1	153.3	179.9	175.3	0	0	0	107.8	P75 C81 V98 I120 T122 Q147 Y148 G149 Y170	P75-I137 HydrophobicContact CG-CD1 4.49Å; C81-I137 HydrophobicContact CB-CD1 4.43Å; C81-I137 HydrophobicContact CB-CG1 4.32Å; V98-I137 HydrophobicContact CG2-CD1 4.41Å; V98-I137 HydrophobicContact CG2-CG1 4.4Å; I120-I137 HydrophobicContact CG2-CD1 4.21Å; T122-I137 HydrophobicContact CG2-CD1 3.55Å; I137-Q147 WeakPolarHBondContact O-CA 3.08Å; I137-Y148 PolarHBondContact O-N 2.97Å; I137-G149 PolarHBondContact N-O 3.45Å; I137-Y170 HydrophobicContact CB-CD1 3.58Å; I137-Y170 HydrophobicContact CB-CE1 3.65Å; I137-Y170 HydrophobicContact CB-CG 4.33Å; I137-Y170 HydrophobicContact CG2-CD1 3.56Å; I137-Y170 HydrophobicContact CG2-CE1 4.19Å; I137-Y170 HydrophobicContact CG2-CG 4.03Å
138	T	94.3	Very high	90.4	Very high	21 Å²	21	56.7 Å²	56.7	13%	0.129	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.5	-173.5	-56.4	0	0	0	0	109.7	I66 C81 Y82 A145 F146	I66-T138 HydrophobicContact CD1-CG2 4.16Å; I66-T138 HydrophobicContact CG2-CG2 3.98Å; C81-T138 CarbonylContact C-O 3.52Å; C81-T138 WeakPolarHBondContact CA-O 3.41Å; Y82-T138 PolarHBondContact N-O 2.89Å; Y82-T138 PolarHBondContact O-N 2.93Å; T138-A145 HydrophobicContact CG2-CB 3.87Å; T138-F146 CarbonylContact C-O 3.54Å; T138-F146 WeakPolarHBondContact CA-O 3.23Å
139	C	92.9	Very high	91	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.3	-179.3	-53	0	0	0	0	111.2	A79 S80 C81 F146 Y148	A79-C139 HydrophobicContact CB-CB 4.31Å; S80-C139 WeakPolarHBondContact O-CA 3.05Å; C81-C139 HydrophobicContact CB-CB 4.09Å; C81-C139 WeakPolarHBondContact CB-SG 3.15Å; C81-C139 WeakPolarHBondContact SG-CB 3.43Å; C81-C139 CovalentContact SG-SG 2.04Å; C81-C139 PolarHBondContact SG-SG 2.84Å; C139-F146 PolarHBondContact N-O 3.28Å; C139-F146 PolarHBondContact O-N 3.23Å; C139-Y148 HydrophobicContact CB-CD2 4.07Å; C139-Y148 HydrophobicContact CB-CE2 3.94Å
140	I	87.9	Confident	91.3	Very high	83 Å²	83	48.1 Å²	48.1	43%	0.426	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.9	176.2	-60.4	173.3	0	0	0	109.1	S80 Y82 R144	S80-I140 PolarHBondContact O-N 3.09Å; Y82-I140 HydrophobicContact CD2-CD1 4.49Å; Y82-I140 HydrophobicContact CE2-CD1 3.92Å; Y82-I140 HydrophobicContact CE2-CG1 4.38Å; I140-R144 WeakPolarHBondContact CA-O 3.48Å
141	I	86.3	Confident	91.5	Very high	33 Å²	33	46.7 Å²	46.7	17%	0.169	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	123	-179	-56.6	168.8	0	0	0	107.4	P76 A79 G143 R144 F146 Y148	P76-I141 HydrophobicContact CG-CD1 3.82Å; A79-I141 HydrophobicContact CB-CG1 3.97Å; I141-G143 PolarHBondContact O-N 2.68Å; I141-G143 VanDerWaalsContact O-N 3.16Å; I141-R144 PolarHBondContact N-O 2.94Å; I141-R144 PolarHBondContact O-N 3.22Å; I141-F146 HydrophobicContact CB-CD2 4.04Å; I141-F146 HydrophobicContact CB-CE2 4.06Å; I141-F146 HydrophobicContact CD1-CD2 4.14Å; I141-F146 HydrophobicContact CG1-CD2 4.38Å; I141-Y148 HydrophobicContact CD1-CE2 3.92Å; I141-Y148 WeakPolarHBondContact CD1-OH 3.4Å
142	N	85.3	Confident	91.5	Very high	162 Å²	162	43.4 Å²	43.4	87%	0.866	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	42.4	-180	-57.5	-14.4	0	0	0	113.3	R144	N142-R144 VanDerWaalsContact C-N 3.26Å; N142-R144 PolarHBondContact O-N 2.74Å
143	G	83.3	Confident	91.3	Very high	74 Å²	74	43.7 Å²	43.7	76%	0.763	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	2.2	-179.1	0	0	0	0	0	115.8	I141	I141-G143 PolarHBondContact O-N 2.68Å; I141-G143 VanDerWaalsContact O-N 3.16Å
144	R	89	Confident	91	Very high	143 Å²	143	38.3 Å²	38.3	54%	0.54	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.4	176.9	-62.6	-177.7	-177.2	-177.6	2	110.8	I140 I141 N142 F146	I140-R144 WeakPolarHBondContact CA-O 3.48Å; I141-R144 PolarHBondContact N-O 2.94Å; I141-R144 PolarHBondContact O-N 3.22Å; N142-R144 VanDerWaalsContact C-N 3.26Å; N142-R144 PolarHBondContact O-N 2.74Å; R144-F146 HydrophobicContact CB-CD2 4.32Å; R144-F146 HydrophobicContact CB-CE2 3.65Å; R144-F146 HydrophobicContact CB-CZ 4.14Å
145	A	91.5	Very high	90.3	Very high	36 Å²	36	37.5 Å²	37.5	30%	0.298	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125	175.3	0	0	0	0	0	110.4	I66 C67 T138	I66-A145 HydrophobicContact CG2-CB 4.17Å; I66-A145 WeakPolarHBondContact CG2-O 3.46Å; C67-A145 WeakPolarHBondContact CB-O 3.46Å; C67-A145 PolarHBondContact N-O 2.76Å; T138-A145 HydrophobicContact CG2-CB 3.87Å
146	F	95	Very high	89.3	Confident	37 Å²	37	40.1 Å²	40.1	16%	0.162	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.6	177.6	-67	-90.6	0	0	0	110.8	C67 T138 C139 I141 R144 Y148	C67-F146 HydrophobicContact CB-CD1 3.51Å; C67-F146 HydrophobicContact CB-CE1 3.73Å; C67-F146 HydrophobicContact CB-CG 4.18Å; C67-F146 CarbonylContact O-C 3.58Å; C67-F146 VanDerWaalsContact O-CA 3.31Å; C67-F146 WeakPolarHBondContact O-CA 3.44Å; T138-F146 CarbonylContact C-O 3.54Å; T138-F146 WeakPolarHBondContact CA-O 3.23Å; C139-F146 PolarHBondContact N-O 3.28Å; C139-F146 PolarHBondContact O-N 3.23Å; I141-F146 HydrophobicContact CB-CD2 4.04Å; I141-F146 HydrophobicContact CB-CE2 4.06Å; I141-F146 HydrophobicContact CD1-CD2 4.14Å; I141-F146 HydrophobicContact CG1-CD2 4.38Å; R144-F146 HydrophobicContact CB-CD2 4.32Å; R144-F146 HydrophobicContact CB-CE2 3.65Å; R144-F146 HydrophobicContact CB-CZ 4.14Å; F146-Y148 HydrophobicContact CB-CD2 4.2Å; F146-Y148 HydrophobicContact CB-CE2 3.7Å
147	Q	95.5	Very high	88	Confident	39 Å²	39	42.3 Å²	42.3	18%	0.182	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	122.3	168.4	-173.1	-176.1	-6	0	0	109.2	I66 C67 A69 P136 I137 G149 L173	I66-Q147 HydrophobicContact CG2-CB 3.97Å; C67-Q147 PolarHBondContact O-N 3.28Å; A69-Q147 VanDerWaalsContact CB-O 3.27Å; A69-Q147 WeakPolarHBondContact CB-O 3.27Å; A69-Q147 PolarHBondContact N-O 3.48Å; P136-Q147 HydrophobicContact CB-CG 3.73Å; I137-Q147 WeakPolarHBondContact O-CA 3.08Å; Q147-G149 WeakPolarHBondContact CG-O 3.47Å; Q147-G149 PolarHBondContact NE2-O 3.44Å; Q147-L173 HydrophobicContact CB-CD1 4.47Å; Q147-L173 HydrophobicContact CG-CD1 4.17Å; Q147-L173 WeakPolarHBondContact O-CD1 3.48Å
148	Y	94.6	Very high	86.4	Confident	5 Å²	5	48.5 Å²	48.5	2%	0.02	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-16.7	177.8	-78.1	-91.7	0	0	0	113.9	A69 E73 P75 I120 I137 C139 I141 F146	A69-Y148 HydrophobicContact CB-CD1 3.28Å; A69-Y148 HydrophobicContact CB-CD2 4.09Å; A69-Y148 HydrophobicContact CB-CE1 3.42Å; A69-Y148 VanDerWaalsContact CB-CE1 3.42Å; A69-Y148 HydrophobicContact CB-CE2 4.2Å; A69-Y148 HydrophobicContact CB-CG 3.63Å; E73-Y148 HydrophobicContact CB-CE1 4.22Å; E73-Y148 HydrophobicContact CG-CE1 4.15Å; E73-Y148 WeakPolarHBondContact OE1-CE1 3.42Å; E73-Y148 PolarHBondContact OE1-OH 2.92Å; P75-Y148 HydrophobicContact CB-CD2 4.38Å; P75-Y148 HydrophobicContact CB-CG 4.42Å; P75-Y148 HydrophobicContact CG-CD1 3.91Å; P75-Y148 HydrophobicContact CG-CD2 3.94Å; P75-Y148 HydrophobicContact CG-CG 3.58Å; I120-Y148 WeakPolarHBondContact CD1-O 3.45Å; I137-Y148 PolarHBondContact O-N 2.97Å; C139-Y148 HydrophobicContact CB-CD2 4.07Å; C139-Y148 HydrophobicContact CB-CE2 3.94Å; I141-Y148 HydrophobicContact CD1-CE2 3.92Å; I141-Y148 WeakPolarHBondContact CD1-OH 3.4Å; F146-Y148 HydrophobicContact CB-CD2 4.2Å; F146-Y148 HydrophobicContact CB-CE2 3.7Å
149	G	93.4	Very high	84.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	-178.6	-177.5	0	0	0	0	0	114.8	P136 I137 Q147 S171	P136-G149 WeakPolarHBondContact CA-O 3.27Å; I137-G149 PolarHBondContact N-O 3.45Å; Q147-G149 WeakPolarHBondContact CG-O 3.47Å; Q147-G149 PolarHBondContact NE2-O 3.44Å; G149-S171 CarbonylContact C-O 3.54Å; G149-S171 WeakPolarHBondContact CA-O 3.09Å
150	V	93.8	Very high	82.7	Confident	23 Å²	23	52.6 Å²	52.6	14%	0.139	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.8	177.9	177	0	0	0	0	109.6	I48 A135 L152 Y170 S171 L173	I48-V150 HydrophobicContact CG2-CB 3.9Å; I48-V150 HydrophobicContact CG2-CG1 4.11Å; I48-V150 HydrophobicContact CG2-CG2 4.43Å; A135-V150 WeakPolarHBondContact O-CA 3.35Å; V150-L152 PolarHBondContact O-N 3.45Å; V150-Y170 CarbonylContact O-C 3.59Å; V150-Y170 VanDerWaalsContact O-CA 3.25Å; V150-Y170 WeakPolarHBondContact O-CA 3.32Å; V150-S171 PolarHBondContact N-O 3.27Å; V150-S171 VanDerWaalsContact N-O 3.09Å; V150-S171 PolarHBondContact O-N 3.21Å; V150-L173 HydrophobicContact CG2-CD2 4.03Å
151	Y	93.3	Very high	81.2	Confident	16 Å²	16	53.3 Å²	53.3	6%	0.063	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	128.4	178.3	174.7	-87.1	0	0	0	111.4	Q132 G134 A135 N153 H154 Y170	Q132-Y151 HydrophobicContact CB-CD1 4.05Å; Q132-Y151 HydrophobicContact CB-CE1 3.94Å; Q132-Y151 HydrophobicContact CG-CD1 3.85Å; Q132-Y151 HydrophobicContact CG-CD2 4.04Å; Q132-Y151 HydrophobicContact CG-CE1 4.06Å; Q132-Y151 HydrophobicContact CG-CE2 4.24Å; Q132-Y151 HydrophobicContact CG-CG 3.84Å; Q132-Y151 WeakPolarHBondContact O-CD1 3.37Å; G134-Y151 PolarHBondContact N-O 2.94Å; A135-Y151 PolarHBondContact O-N 3.17Å; Y151-N153 WeakPolarHBondContact CE2-O 3.46Å; Y151-N153 VanDerWaalsContact CZ-C 3.43Å; Y151-N153 VanDerWaalsContact OH-C 3.25Å; Y151-N153 WeakPolarHBondContact OH-CA 3.47Å; Y151-H154 AromaticContact CE2-CE1 3.87Å; Y151-H154 AromaticContact CE2-ND1 3.71Å; Y151-H154 AromaticContact CZ-ND1 3.66Å; Y151-H154 PolarHBondContact OH-CE1 3.36Å; Y151-H154 PolarHBondContact OH-N 2.73Å; Y151-H154 PolarHBondContact OH-ND1 3.46Å; Y151-Y170 HydrophobicContact CD2-CD2 4.47Å; Y151-Y170 HydrophobicContact CD2-CE1 4.19Å; Y151-Y170 AromaticContact CD2-CE2 3.87Å; Y151-Y170 HydrophobicContact CD2-CE2 3.87Å; Y151-Y170 AromaticContact CD2-CZ 3.73Å; Y151-Y170 HydrophobicContact CG-CE1 4.34Å
152	L	89.6	Confident	79.3	Confident	12 Å²	12	60.5 Å²	60.5	6%	0.063	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-43.2	176.1	-62.2	-174.1	0	0	0	113.1	V37 V44 G47 I48 L133 V150 Y169	V37-L152 HydrophobicContact CG2-CD1 4.48Å; V44-L152 HydrophobicContact CG1-CD1 4.16Å; V44-L152 HydrophobicContact CG2-CB 4.4Å; G47-L152 VanDerWaalsContact O-CD2 3.24Å; G47-L152 WeakPolarHBondContact O-CD2 3.11Å; I48-L152 HydrophobicContact CG2-CD2 3.98Å; L133-L152 WeakPolarHBondContact CD1-O 3.04Å; V150-L152 PolarHBondContact O-N 3.45Å; L152-Y169 HydrophobicContact CB-CD1 4.34Å; L152-Y169 HydrophobicContact CD1-CE1 4.23Å; L152-Y169 PolarHBondContact N-O 2.9Å
153	N	86.7	Confident	77.7	Confident	29 Å²	29	53.1 Å²	53.1	16%	0.155	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	172.4	-176.7	-155.4	-7.5	0	0	0	110.2	N41 V44 Y151 Y169	N41-N153 PolarHBondContact ND2-ND2 3.22Å; N41-N153 PolarHBondContact OD1-ND2 3.19Å; V44-N153 HydrophobicContact CG2-CB 3.75Å; Y151-N153 WeakPolarHBondContact CE2-O 3.46Å; Y151-N153 VanDerWaalsContact CZ-C 3.43Å; Y151-N153 VanDerWaalsContact OH-C 3.25Å; Y151-N153 WeakPolarHBondContact OH-CA 3.47Å; N153-Y169 WeakPolarHBondContact O-CB 3.13Å; N153-Y169 PolarHBondContact O-N 2.85Å
154	H	84.2	Confident	76.7	Confident	9 Å²	9	52.3 Å²	52.3	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	149.2	155.7	-72.1	65.8	0	0	0	109.6	D124 K126 Q132 Y151 M166 L167	D124-H154 PolarHBondContact O-NE2 2.87Å; K126-H154 PolarHBondContact N-NE2 3.42Å; Q132-H154 PolarHBondContact OE1-CE1 3.01Å; Y151-H154 AromaticContact CE2-CE1 3.87Å; Y151-H154 AromaticContact CE2-ND1 3.71Å; Y151-H154 AromaticContact CZ-ND1 3.66Å; Y151-H154 PolarHBondContact OH-CE1 3.36Å; Y151-H154 PolarHBondContact OH-N 2.73Å; Y151-H154 PolarHBondContact OH-ND1 3.46Å; H154-M166 HydrophobicContact CB-CE 3.54Å; H154-L167 CarbonylContact C-O 3.6Å; H154-L167 VanDerWaalsContact CA-O 3.26Å; H154-L167 WeakPolarHBondContact CA-O 3.46Å
155	I	77.5	Confident	75.7	Confident	29 Å²	29	46.9 Å²	46.9	15%	0.149	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	146.5	165.9	60.6	173.1	0	0	0	109.4	C106 L107 M166 L167 Y169	C106-I155 HydrophobicContact CB-CD1 4.19Å; L107-I155 HydrophobicContact CD1-CD1 4.38Å; L107-I155 HydrophobicContact CG-CD1 4.32Å; I155-M166 WeakPolarHBondContact O-CA 3.25Å; I155-L167 HydrophobicContact CG1-CB 4.15Å; I155-L167 PolarHBondContact N-O 2.91Å; I155-L167 PolarHBondContact O-N 2.9Å; I155-Y169 HydrophobicContact CD1-CD2 4.09Å; I155-Y169 HydrophobicContact CG2-CD2 4.38Å; I155-Y169 HydrophobicContact CG2-CG 4.19Å
156	S	73.3	Confident	74.8	Confident	61 Å²	61	48.5 Å²	48.5	43%	0.427	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.5	166.5	-172.7	0	0	0	0	108.6	N164	S156-N164 VanDerWaalsContact OG-CB 3.31Å; S156-N164 WeakPolarHBondContact OG-CB 3.47Å; S156-N164 PolarHBondContact OG-OD1 2.65Å
157	L	65.7	Low	74.2	Confident	77 Å²	77	47 Å²	47	40%	0.403	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.3	167.1	-178.1	65.7	0	0	0	108.7	I159 Q165 L167	L157-I159 PolarHBondContact O-N 3.06Å; L157-Q165 PolarHBondContact N-O 3.38Å; L157-Q165 PolarHBondContact O-N 2.88Å; L157-L167 HydrophobicContact CB-CD1 3.95Å; L157-L167 HydrophobicContact CD2-CD1 3.97Å
158	E	61.9	Low	73.8	Confident	129 Å²	129	45.2 Å²	45.2	60%	0.603	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	123	172.9	-172.4	179	176.5	0	0	109.9	S161	E158-S161 VanDerWaalsContact OE1-CA 3.23Å; E158-S161 WeakPolarHBondContact OE1-CA 3.37Å; E158-S161 VanDerWaalsContact OE1-CB 3.26Å; E158-S161 WeakPolarHBondContact OE1-CB 3.44Å
159	I	57.6	Low	73.6	Confident	23 Å²	23	45.1 Å²	45.1	12%	0.118	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112	-179.2	-59.9	178.5	0	0	0	108	L157 S161 R162 A163 Q165 Y907 F984	L157-I159 PolarHBondContact O-N 3.06Å; I159-S161 PolarHBondContact O-N 3.47Å; I159-S161 VanDerWaalsContact O-N 3.07Å; I159-R162 PolarHBondContact O-N 3Å; I159-A163 HydrophobicContact CB-CB 4.38Å; I159-A163 PolarHBondContact N-O 3.18Å; I159-A163 PolarHBondContact O-N 2.58Å; I159-A163 VanDerWaalsContact O-N 3.14Å; I159-Q165 HydrophobicContact CD1-CB 3.69Å; I159-Q165 HydrophobicContact CG1-CB 4.44Å; I159-Y907 HydrophobicContact CD1-CE1 4.44Å; I159-F984 HydrophobicContact CG2-CE1 3.88Å; I159-F984 HydrophobicContact CG2-CZ 4.19Å
160	N	51.7	Low	73.5	Confident	85 Å²	85	45.1 Å²	45.1	46%	0.455	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	33.2	173.1	-57.2	-24.1	0	0	0	114.3	R162	N160-R162 WeakPolarHBondContact O-CG 3.29Å; N160-R162 PolarHBondContact O-N 2.79Å
161	S	55.7	Low	73.3	Confident	98 Å²	98	44.4 Å²	44.4	69%	0.685	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.6	25.9	-171.7	63.5	0	0	0	0	116.2	E158 I159	E158-S161 VanDerWaalsContact OE1-CA 3.23Å; E158-S161 WeakPolarHBondContact OE1-CA 3.37Å; E158-S161 VanDerWaalsContact OE1-CB 3.26Å; E158-S161 WeakPolarHBondContact OE1-CB 3.44Å; I159-S161 PolarHBondContact O-N 3.47Å; I159-S161 VanDerWaalsContact O-N 3.07Å
162	R	47.6	Very low	73.1	Confident	184 Å²	184	44.1 Å²	44.1	69%	0.694	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.7	-7.3	-172.8	-73.9	177.8	-176.4	-150.1	1.8	114.8	I159 N160 H910	I159-R162 PolarHBondContact O-N 3Å; N160-R162 WeakPolarHBondContact O-CG 3.29Å; N160-R162 PolarHBondContact O-N 2.79Å; R162-H910 PolarHBondContact O-CD2 2.9Å
163	A	50.7	Low	73	Confident	7 Å²	7	44 Å²	44	6%	0.058	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	142.4	172.8	0	0	0	0	0	110.3	I159 Y907 L913	I159-A163 HydrophobicContact CB-CB 4.38Å; I159-A163 PolarHBondContact N-O 3.18Å; I159-A163 PolarHBondContact O-N 2.58Å; I159-A163 VanDerWaalsContact O-N 3.14Å; A163-Y907 HydrophobicContact CB-CD1 4.33Å; A163-L913 HydrophobicContact CB-CD1 4.28Å
164	N	62.6	Low	73	Confident	57 Å²	57	44.2 Å²	44.2	31%	0.305	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136.6	164.9	-81.6	-37.8	0	0	0	109.2	S156 E909 H910	S156-N164 VanDerWaalsContact OG-CB 3.31Å; S156-N164 WeakPolarHBondContact OG-CB 3.47Å; S156-N164 PolarHBondContact OG-OD1 2.65Å; N164-E909 WeakPolarHBondContact CB-OE2 3.23Å; N164-H910 PolarHBondContact N-NE2 2.92Å
165	Q	67	Low	72.9	Confident	29 Å²	29	46 Å²	46	14%	0.136	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113.7	171	178.7	156.2	82.2	0	0	109.2	L157 I159 L167	L157-Q165 PolarHBondContact N-O 3.38Å; L157-Q165 PolarHBondContact O-N 2.88Å; I159-Q165 HydrophobicContact CD1-CB 3.69Å; I159-Q165 HydrophobicContact CG1-CB 4.44Å; Q165-L167 HydrophobicContact CG-CD2 3.94Å; Q165-L167 HydrophobicContact CG-CG 4.29Å
166	M	74.1	Confident	73.3	Confident	69 Å²	69	45.4 Å²	45.4	34%	0.34	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130.4	172.1	-69.1	-69	-82.6	0	0	109.5	K126 H154 I155	K126-M166 HydrophobicContact CD-CE 4.42Å; H154-M166 HydrophobicContact CB-CE 3.54Å; I155-M166 WeakPolarHBondContact O-CA 3.25Å
167	L	81.5	Confident	74	Confident	7 Å²	7	43.3 Å²	43.3	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.3	177.6	-60.1	173.6	0	0	0	108.6	C121 T122 M123 H154 I155 L157 Q165	C121-L167 HydrophobicContact CB-CD1 4.38Å; T122-L167 VanDerWaalsContact O-CA 3.28Å; T122-L167 WeakPolarHBondContact O-CA 3.33Å; T122-L167 WeakPolarHBondContact O-CB 3.49Å; T122-L167 WeakPolarHBondContact O-CD2 3.09Å; M123-L167 HydrophobicContact CE-CD2 4.48Å; M123-L167 HydrophobicContact SD-CD2 3.51Å; M123-L167 VanDerWaalsContact SD-CD2 3.51Å; H154-L167 CarbonylContact C-O 3.6Å; H154-L167 VanDerWaalsContact CA-O 3.26Å; H154-L167 WeakPolarHBondContact CA-O 3.46Å; I155-L167 HydrophobicContact CG1-CB 4.15Å; I155-L167 PolarHBondContact N-O 2.91Å; I155-L167 PolarHBondContact O-N 2.9Å; L157-L167 HydrophobicContact CB-CD1 3.95Å; L157-L167 HydrophobicContact CD2-CD1 3.97Å; Q165-L167 HydrophobicContact CG-CD2 3.94Å; Q165-L167 HydrophobicContact CG-CG 4.29Å
168	G	87.9	Confident	75	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	132.2	167.9	0	0	0	0	0	110.2	C121 T122 D124	C121-G168 WeakPolarHBondContact CA-O 3.27Å; T122-G168 PolarHBondContact N-O 3.16Å; T122-G168 VanDerWaalsContact N-O 3.14Å; T122-G168 PolarHBondContact O-N 3.46Å; T122-G168 VanDerWaalsContact O-N 3.14Å; D124-G168 WeakPolarHBondContact OD1-CA 3.24Å; D124-G168 PolarHBondContact OD1-N 2.84Å
169	Y	89.4	Confident	76	Confident	3 Å²	3	36.1 Å²	36.1	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.6	-179.2	176.8	-88.4	0	0	0	110.5	V44 C106 L107 L152 N153 I155	V44-Y169 HydrophobicContact CG1-CD1 4.42Å; V44-Y169 HydrophobicContact CG1-CE1 3.92Å; V44-Y169 HydrophobicContact CG2-CD1 4.47Å; C106-Y169 HydrophobicContact CB-CD2 3.9Å; C106-Y169 HydrophobicContact CB-CE2 3.97Å; C106-Y169 VanDerWaalsContact SG-CD2 3.57Å; L107-Y169 HydrophobicContact CD1-CE2 4.45Å; L152-Y169 HydrophobicContact CB-CD1 4.34Å; L152-Y169 HydrophobicContact CD1-CE1 4.23Å; L152-Y169 PolarHBondContact N-O 2.9Å; N153-Y169 WeakPolarHBondContact O-CB 3.13Å; N153-Y169 PolarHBondContact O-N 2.85Å; I155-Y169 HydrophobicContact CD1-CD2 4.09Å; I155-Y169 HydrophobicContact CG2-CD2 4.38Å; I155-Y169 HydrophobicContact CG2-CG 4.19Å
170	Y	91.9	Very high	77.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.8	-175.5	-60.7	-113.5	0	0	0	108.7	V83 G119 I120 T122 D124 Q132 I137 V150 Y151 E172	V83-Y170 HydrophobicContact CG2-CE1 3.95Å; V83-Y170 WeakPolarHBondContact CG2-OH 3.43Å; G119-Y170 CarbonylContact C-O 3.57Å; G119-Y170 WeakPolarHBondContact CA-O 3.45Å; I120-Y170 PolarHBondContact N-O 2.04Å; I120-Y170 PolarHBondContact O-N 3.03Å; T122-Y170 HydrophobicContact CG2-CE2 4.45Å; T122-Y170 WeakPolarHBondContact OG1-CE2 3.09Å; D124-Y170 PolarHBondContact OD2-OH 3.4Å; Q132-Y170 PolarHBondContact NE2-OH 3.21Å; I137-Y170 HydrophobicContact CB-CD1 3.58Å; I137-Y170 HydrophobicContact CB-CE1 3.65Å; I137-Y170 HydrophobicContact CB-CG 4.33Å; I137-Y170 HydrophobicContact CG2-CD1 3.56Å; I137-Y170 HydrophobicContact CG2-CE1 4.19Å; I137-Y170 HydrophobicContact CG2-CG 4.03Å; V150-Y170 CarbonylContact O-C 3.59Å; V150-Y170 VanDerWaalsContact O-CA 3.25Å; V150-Y170 WeakPolarHBondContact O-CA 3.32Å; Y151-Y170 HydrophobicContact CD2-CD2 4.47Å; Y151-Y170 HydrophobicContact CD2-CE1 4.19Å; Y151-Y170 AromaticContact CD2-CE2 3.87Å; Y151-Y170 HydrophobicContact CD2-CE2 3.87Å; Y151-Y170 AromaticContact CD2-CZ 3.73Å; Y151-Y170 HydrophobicContact CG-CE1 4.34Å; Y170-E172 PolarHBondContact O-N 2.75Å
171	S	89.6	Confident	78.9	Confident	8 Å²	8	39.2 Å²	39.2	6%	0.056	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	135	171.5	-175	0	0	0	0	110	G149 V150	G149-S171 CarbonylContact C-O 3.54Å; G149-S171 WeakPolarHBondContact CA-O 3.09Å; V150-S171 PolarHBondContact N-O 3.27Å; V150-S171 VanDerWaalsContact N-O 3.09Å; V150-S171 PolarHBondContact O-N 3.21Å
172	E	89	Confident	80	Confident	11 Å²	11	37.6 Å²	37.6	5%	0.051	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	159.2	164.7	-74.6	173	-121.5	0	0	110.5	R105 R118 G119 I120 Y170	R105-E172 IonicContact CZ-OE1 3.73Å; R105-E172 IonicContact CZ-OE2 3.96Å; R105-E172 VanDerWaalsContact CZ-OE2 3.24Å; R105-E172 IonicContact NH1-OE1 2.77Å; R105-E172 PolarHBondContact NH1-OE1 3.19Å; R105-E172 IonicContact NH1-OE2 3.73Å; R105-E172 PolarHBondContact NH1-OE2 2.82Å; R105-E172 IonicContact NH2-OE1 3.69Å; R105-E172 IonicContact NH2-OE2 3.52Å; R105-E172 PolarHBondContact NH2-OE2 3.37Å; R118-E172 VanDerWaalsContact C-OE1 3.31Å; R118-E172 WeakPolarHBondContact CA-OE1 3.16Å; R118-E172 HydrophobicContact CB-CB 4.35Å; R118-E172 HydrophobicContact CB-CG 4.38Å; R118-E172 VanDerWaalsContact CB-OE1 3.29Å; R118-E172 WeakPolarHBondContact CB-OE1 3.32Å; R118-E172 IonicContact CZ-OE2 2.73Å; R118-E172 IonicContact NE-OE1 2.7Å; R118-E172 IonicContact NE-OE2 2.89Å; R118-E172 PolarHBondContact NE-OE2 2.93Å; R118-E172 IonicContact NH2-OE2 2.68Å; G119-E172 PolarHBondContact N-OE1 3.5Å; I120-E172 HydrophobicContact CD1-CG 4.06Å; I120-E172 HydrophobicContact CG1-CG 3.92Å; Y170-E172 PolarHBondContact O-N 2.75Å
173	L	88.6	Confident	81.6	Confident	9 Å²	9	34.7 Å²	34.7	5%	0.047	19%	0.188	C	C	.	.	S	Bend	trans	-95.6	7.3	-167.8	-61.5	176.7	0	0	0	115	L68 Q147 V150 I175 I176 H177	L68-L173 HydrophobicContact CD2-CD1 4.18Å; Q147-L173 HydrophobicContact CB-CD1 4.47Å; Q147-L173 HydrophobicContact CG-CD1 4.17Å; Q147-L173 WeakPolarHBondContact O-CD1 3.48Å; V150-L173 HydrophobicContact CG2-CD2 4.03Å; L173-I175 PolarHBondContact O-N 2.58Å; L173-I175 VanDerWaalsContact O-N 3.11Å; L173-I176 HydrophobicContact CD2-CG1 4.29Å; L173-I176 WeakPolarHBondContact O-CA 3.36Å; L173-I176 WeakPolarHBondContact O-CB 3.5Å; L173-I176 PolarHBondContact O-N 2.85Å; L173-H177 PolarHBondContact O-CD2 3.04Å; L173-H177 PolarHBondContact O-N 3.02Å
174	D	85.6	Confident	82.7	Confident	34 Å²	34	44.5 Å²	44.5	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-51.3	-39	-175.7	-67.5	-14.9	0	0	0	113.4	R118 H177 D178	R118-D174 WeakPolarHBondContact CD-OD2 3.39Å; R118-D174 IonicContact CZ-OD2 2.71Å; R118-D174 VanDerWaalsContact CZ-OD2 3.28Å; R118-D174 IonicContact NE-OD2 3.17Å; R118-D174 PolarHBondContact NE-OD2 2.8Å; R118-D174 IonicContact NH1-OD2 2.74Å; R118-D174 PolarHBondContact NH1-OD2 3.5Å; D174-H177 PolarHBondContact O-N 2.75Å; D174-D178 PolarHBondContact O-N 2.9Å
175	I	81.9	Confident	83	Confident	47 Å²	47	43.9 Å²	43.9	24%	0.241	23%	0.227	C	C	.	.	H	α-helix	trans	-67.4	-39.2	176.6	-62.4	172.5	0	0	0	111.6	Y35 I48 L173 D178 V179 V185	Y35-I175 HydrophobicContact CD1-CG2 3.79Å; Y35-I175 HydrophobicContact CD2-CG2 4.31Å; Y35-I175 HydrophobicContact CE1-CG2 4.48Å; Y35-I175 HydrophobicContact CG-CG2 3.7Å; I48-I175 HydrophobicContact CD1-CB 4.42Å; L173-I175 PolarHBondContact O-N 2.58Å; L173-I175 VanDerWaalsContact O-N 3.11Å; I175-D178 PolarHBondContact O-N 3.19Å; I175-V179 HydrophobicContact CG2-CG2 4.45Å; I175-V179 VanDerWaalsContact O-CG2 3.27Å; I175-V179 WeakPolarHBondContact O-CG2 3.47Å; I175-V179 PolarHBondContact O-N 2.85Å; I175-V185 HydrophobicContact CG2-CG1 4.23Å
176	I	86	Confident	82.8	Confident	16 Å²	16	47.8 Å²	47.8	8%	0.082	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-40.5	178.6	-57.5	-57.4	0	0	0	110.2	I48 L50 L173 V179 L180	I48-I176 HydrophobicContact CD1-CD1 3.69Å; I48-I176 HydrophobicContact CD1-CG1 3.64Å; I48-I176 HydrophobicContact CG1-CD1 4.23Å; L50-I176 HydrophobicContact CB-CD1 4.23Å; L50-I176 HydrophobicContact CD1-CG2 4.48Å; L173-I176 HydrophobicContact CD2-CG1 4.29Å; L173-I176 WeakPolarHBondContact O-CA 3.36Å; L173-I176 WeakPolarHBondContact O-CB 3.5Å; L173-I176 PolarHBondContact O-N 2.85Å; I176-V179 PolarHBondContact O-N 2.92Å; I176-L180 HydrophobicContact CG2-CD1 3.68Å; I176-L180 HydrophobicContact CG2-CG 4.13Å; I176-L180 WeakPolarHBondContact O-CB 3.45Å; I176-L180 VanDerWaalsContact O-CG 3.25Å; I176-L180 WeakPolarHBondContact O-CG 3.39Å; I176-L180 PolarHBondContact O-N 2.83Å
177	H	88.4	Confident	82.1	Confident	16 Å²	16	47.2 Å²	47.2	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-56.4	-52.7	169.9	-78.2	-73.7	0	0	0	111	A69 R71 L173 D174 V179 L180 F181	A69-H177 PolarHBondContact O-CE1 3.09Å; A69-H177 PolarHBondContact O-NE2 2.99Å; R71-H177 HydrophobicContact CG-CB 3.95Å; L173-H177 PolarHBondContact O-CD2 3.04Å; L173-H177 PolarHBondContact O-N 3.02Å; D174-H177 PolarHBondContact O-N 2.75Å; H177-V179 VanDerWaalsContact C-N 3.32Å; H177-V179 PolarHBondContact O-N 3.36Å; H177-L180 PolarHBondContact O-N 2.72Å; H177-F181 HydrophobicContact CB-CD2 4.31Å; H177-F181 HydrophobicContact CB-CE2 4.48Å; H177-F181 AromaticContact ND1-CE2 3.73Å; H177-F181 WeakPolarHBondContact O-CB 3.5Å; H177-F181 WeakPolarHBondContact O-CD2 3.27Å; H177-F181 PolarHBondContact O-N 3.24Å
178	D	85.5	Confident	80.6	Confident	27 Å²	27	53.1 Å²	53.1	14%	0.144	29%	0.285	C	S	.	.	H	α-helix	trans	-53.2	-47	178.2	-87.1	0.2	0	0	0	112.7	R71 D174 I175 G182 K183 V185	R71-D178 IonicContact CZ-OD1 3.51Å; R71-D178 VanDerWaalsContact CZ-OD1 3.24Å; R71-D178 IonicContact NH1-OD1 3.35Å; R71-D178 PolarHBondContact NH1-OD1 3.07Å; R71-D178 IonicContact NH2-OD1 3.79Å; R71-D178 PolarHBondContact NH2-OD1 2.89Å; D174-D178 PolarHBondContact O-N 2.9Å; I175-D178 PolarHBondContact O-N 3.19Å; D178-G182 PolarHBondContact O-N 3.31Å; D178-K183 HydrophobicContact CB-CB 4.24Å; D178-K183 HydrophobicContact CB-CD 3.84Å; D178-K183 WeakPolarHBondContact O-CB 3.26Å; D178-K183 PolarHBondContact O-N 2.8Å; D178-K183 IonicContact OD1-NZ 3.93Å; D178-K183 VanDerWaalsContact OD2-CD 3.27Å; D178-K183 WeakPolarHBondContact OD2-CD 3.17Å; D178-K183 WeakPolarHBondContact OD2-CE 3.45Å; D178-K183 IonicContact OD2-NZ 2.97Å; D178-K183 PolarHBondContact OD2-NZ 2.96Å; D178-V185 HydrophobicContact CB-CG2 3.68Å
179	V	84.3	Confident	78	Confident	29 Å²	29	58.3 Å²	58.3	18%	0.176	32%	0.319	C	S	.	.	H	α-helix	trans	-67.7	-43.4	-179.6	173.4	0	0	0	0	112.3	Y35 L50 I175 I176 H177 F181 G182 V185	Y35-V179 HydrophobicContact CD1-CG2 4.49Å; Y35-V179 HydrophobicContact CE1-CG2 3.66Å; Y35-V179 HydrophobicContact CE2-CG2 4.22Å; Y35-V179 WeakPolarHBondContact OH-CG1 3.44Å; Y35-V179 WeakPolarHBondContact OH-CG2 3.49Å; L50-V179 HydrophobicContact CD2-CB 4.4Å; L50-V179 HydrophobicContact CD2-CG1 3.54Å; I175-V179 HydrophobicContact CG2-CG2 4.45Å; I175-V179 VanDerWaalsContact O-CG2 3.27Å; I175-V179 WeakPolarHBondContact O-CG2 3.47Å; I175-V179 PolarHBondContact O-N 2.85Å; I176-V179 PolarHBondContact O-N 2.92Å; H177-V179 VanDerWaalsContact C-N 3.32Å; H177-V179 PolarHBondContact O-N 3.36Å; V179-F181 VanDerWaalsContact C-N 3.33Å; V179-F181 PolarHBondContact O-N 2.77Å; V179-G182 PolarHBondContact O-N 3.47Å; V179-G182 VanDerWaalsContact O-N 3.1Å; V179-V185 HydrophobicContact CG2-CB 4.04Å; V179-V185 HydrophobicContact CG2-CG2 3.81Å
180	L	84.9	Confident	75.7	Confident	56 Å²	56	63.4 Å²	63.4	29%	0.293	35%	0.351	S	S	.	.	H	α-helix	trans	-71	-28.1	-179.6	-68.9	177.8	0	0	0	112.9	L50 L68 I176 H177 G182 P474	L50-L180 HydrophobicContact CD2-CD2 4.18Å; L68-L180 HydrophobicContact CD1-CD1 3.53Å; I176-L180 HydrophobicContact CG2-CD1 3.68Å; I176-L180 HydrophobicContact CG2-CG 4.13Å; I176-L180 WeakPolarHBondContact O-CB 3.45Å; I176-L180 VanDerWaalsContact O-CG 3.25Å; I176-L180 WeakPolarHBondContact O-CG 3.39Å; I176-L180 PolarHBondContact O-N 2.83Å; H177-L180 PolarHBondContact O-N 2.72Å; L180-G182 PolarHBondContact O-N 2.95Å; L180-P474 HydrophobicContact CB-CG 4.09Å; L180-P474 HydrophobicContact CD2-CG 4.33Å
181	F	84.4	Confident	72.8	Confident	116 Å²	116	72.4 Å²	72.4	51%	0.509	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	14.6	169.9	-70.1	-65.2	0	0	0	113.4	H177 V179 K183 V476	H177-F181 HydrophobicContact CB-CD2 4.31Å; H177-F181 HydrophobicContact CB-CE2 4.48Å; H177-F181 AromaticContact ND1-CE2 3.73Å; H177-F181 WeakPolarHBondContact O-CB 3.5Å; H177-F181 WeakPolarHBondContact O-CD2 3.27Å; H177-F181 PolarHBondContact O-N 3.24Å; V179-F181 VanDerWaalsContact C-N 3.33Å; V179-F181 PolarHBondContact O-N 2.77Å; F181-K183 VanDerWaalsContact C-N 3.34Å; F181-K183 PolarHBondContact O-N 2.97Å; F181-V476 HydrophobicContact CE1-CG2 3.66Å; F181-V476 HydrophobicContact CZ-CG2 3.64Å
182	G	79.2	Confident	70.1	Confident	64 Å²	64	77.3 Å²	77.3	66%	0.66	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	7	168.9	0	0	0	0	0	116	D178 V179 L180	D178-G182 PolarHBondContact O-N 3.31Å; V179-G182 PolarHBondContact O-N 3.47Å; V179-G182 VanDerWaalsContact O-N 3.1Å; L180-G182 PolarHBondContact O-N 2.95Å
183	K	81.5	Confident	67.3	Low	124 Å²	124	85.9 Å²	85.9	54%	0.539	45%	0.452	S	S	.	.			trans	-70.9	131.6	175.5	-167.3	-170.3	-179.1	-177.7	0	109.5	D178 F181 V185	D178-K183 HydrophobicContact CB-CB 4.24Å; D178-K183 HydrophobicContact CB-CD 3.84Å; D178-K183 WeakPolarHBondContact O-CB 3.26Å; D178-K183 PolarHBondContact O-N 2.8Å; D178-K183 IonicContact OD1-NZ 3.93Å; D178-K183 VanDerWaalsContact OD2-CD 3.27Å; D178-K183 WeakPolarHBondContact OD2-CD 3.17Å; D178-K183 WeakPolarHBondContact OD2-CE 3.45Å; D178-K183 IonicContact OD2-NZ 2.97Å; D178-K183 PolarHBondContact OD2-NZ 2.96Å; F181-K183 VanDerWaalsContact C-N 3.34Å; F181-K183 PolarHBondContact O-N 2.97Å; K183-V185 PolarHBondContact O-N 3.23Å
184	K	72.7	Confident	64.7	Low	212 Å²	212	93.1 Å²	93.1	92%	0.922	48%	0.478	S	S	*	.			trans	-71	92.1	174.3	-69.9	-177.8	179.5	176.8	0	110.3
185	V	69.7	Low	62.1	Low	45 Å²	45	97.8 Å²	97.8	27%	0.273	51%	0.51	S	S	.	.			trans	-82	135.5	168	-177.3	0	0	0	0	109.3	Y35 I175 D178 V179 K183 T187	Y35-V185 HydrophobicContact CD1-CB 4.45Å; Y35-V185 HydrophobicContact CD1-CG1 3.93Å; Y35-V185 HydrophobicContact CE1-CB 4.14Å; Y35-V185 HydrophobicContact CE1-CG1 4.12Å; I175-V185 HydrophobicContact CG2-CG1 4.23Å; D178-V185 HydrophobicContact CB-CG2 3.68Å; V179-V185 HydrophobicContact CG2-CB 4.04Å; V179-V185 HydrophobicContact CG2-CG2 3.81Å; K183-V185 PolarHBondContact O-N 3.23Å; V185-T187 PolarHBondContact O-N 2.93Å
186	S	62.4	Low	59.8	Low	110 Å²	110	102 Å²	102	77%	0.769	53%	0.529	S	S	*	.			trans	-69.3	111.4	175.2	-169.3	0	0	0	0	110.8
187	T	58.9	Low	57.4	Low	58 Å²	58	107.3 Å²	107.3	36%	0.356	56%	0.564	S	S	.	*			trans	-80.7	123.7	162.6	51.4	0	0	0	0	108.5	N33 Y35 V185 P189	N33-T187 HydrophobicContact CB-CG2 4.2Å; Y35-T187 HydrophobicContact CD1-CG2 3.98Å; Y35-T187 HydrophobicContact CE1-CG2 3.45Å; Y35-T187 VanDerWaalsContact CE1-CG2 3.45Å; V185-T187 PolarHBondContact O-N 2.93Å; T187-P189 VanDerWaalsContact O-CD 3.22Å; T187-P189 WeakPolarHBondContact O-CD 3.29Å
188	E	51	Low	55	Low	130 Å²	130	111.6 Å²	111.6	61%	0.607	60%	0.603	S	S	*	*			trans	-64.5	120.7	171.1	-85.2	-169.9	129.3	0	0	110.5	S36 V190	S36-E188 VanDerWaalsContact CB-OE2 3.27Å; S36-E188 WeakPolarHBondContact CB-OE2 3.37Å; S36-E188 PolarHBondContact OG-OE2 3.28Å; E188-V190 PolarHBondContact O-N 3.14Å
189	P	34.3	Very low	52.7	Low	109 Å²	109	113.7 Å²	113.7	71%	0.708	63%	0.631	S	S	*	*			trans	-70.2	115.4	160.8	30.2	-30.3	0	0	0	107.2	T187 K191	T187-P189 VanDerWaalsContact O-CD 3.22Å; T187-P189 WeakPolarHBondContact O-CD 3.29Å; P189-K191 VanDerWaalsContact C-N 3.31Å; P189-K191 PolarHBondContact O-N 3.01Å
190	V	39.2	Very low	50.8	Low	111 Å²	111	118.8 Å²	118.8	67%	0.673	66%	0.662	S	S	*	*			trans	-62.7	91.2	179.4	-179.2	0	0	0	0	109.6	E188 Q192	E188-V190 PolarHBondContact O-N 3.14Å; V190-Q192 PolarHBondContact O-N 3.07Å
191	K	32	Very low	48.4	Very low	188 Å²	188	122 Å²	122	82%	0.817	69%	0.686	S	S	*	*			trans	-58.5	123.8	178.5	-85.1	-172.5	173.6	-177.9	0	109.2	P189 E193	P189-K191 VanDerWaalsContact C-N 3.31Å; P189-K191 PolarHBondContact O-N 3.01Å; K191-E193 PolarHBondContact O-N 3.03Å
192	Q	33.1	Very low	46.4	Very low	111 Å²	111	122.8 Å²	122.8	52%	0.519	70%	0.7	S	S	.	*			trans	-92	82.3	-176.7	-173.6	173.3	-64.5	0	0	109.5	V190 R194	V190-Q192 PolarHBondContact O-N 3.07Å; Q192-R194 HydrophobicContact CG-CG 4.4Å; Q192-R194 PolarHBondContact O-N 3.3Å
193	E	29.9	Very low	44.4	Very low	191 Å²	191	127 Å²	127	89%	0.893	71%	0.706	S	S	*	*			trans	-66	98.8	168.2	-72.8	-172.3	143.9	0	0	109.7	K191	K191-E193 PolarHBondContact O-N 3.03Å
194	R	33.1	Very low	42.1	Very low	161 Å²	161	127 Å²	127	61%	0.608	72%	0.719	S	S	*	*			trans	-112	123.7	153.9	-69.4	-171.5	-173.7	177.9	-0.7	107.6	Q192 H196	Q192-R194 HydrophobicContact CG-CG 4.4Å; Q192-R194 PolarHBondContact O-N 3.3Å; R194-H196 WeakPolarHBondContact CD-NE2 3.29Å; R194-H196 PolarHBondContact O-N 3.25Å; R194-H196 VanDerWaalsContact O-N 3.12Å
195	P	31.4	Very low	40.4	Very low	132 Å²	132	123.8 Å²	123.8	86%	0.857	72%	0.717	S	S	*	*			trans	-70	106.1	163.8	29.3	-31	0	0	0	108.2
196	H	34.1	Very low	39	Very low	137 Å²	137	130.7 Å²	130.7	63%	0.634	75%	0.746	S	S	*	*			trans	-112.1	134.6	165.4	-74.5	-45.4	0	0	0	108.5	R194	R194-H196 WeakPolarHBondContact CD-NE2 3.29Å; R194-H196 PolarHBondContact O-N 3.25Å; R194-H196 VanDerWaalsContact O-N 3.12Å
197	P	36.4	Very low	37.5	Very low	126 Å²	126	135.1 Å²	135.1	82%	0.818	75%	0.751	S	S	*	*			trans	-71	159.2	-169.2	29.8	-36	0	0	0	112.4
198	A	37	Very low	36.5	Very low	107 Å²	107	138 Å²	138	88%	0.884	77%	0.772	S	S	*	*			trans	-79	137.2	-172.5	0	0	0	0	0	113.6
199	G	36.8	Very low	35.8	Very low	71 Å²	71	136.9 Å²	136.9	73%	0.732	78%	0.784	S	S	*	*			trans	95.2	89.1	140.7	0	0	0	0	0	119.3
200	V	45.2	Very low	35.6	Very low	136 Å²	136	141.7 Å²	141.7	82%	0.824	79%	0.794	S	S	*	*			trans	-144.5	127.9	134.4	-173	0	0	0	0	108.5	V202	V200-V202 HydrophobicContact CG1-CG2 4.47Å
201	P	34.4	Very low	35.4	Very low	123 Å²	123	141.3 Å²	141.3	80%	0.799	80%	0.803	S	S	*	*			trans	-111.5	122.1	178	35.7	-26	0	0	0	113.4
202	V	42.2	Very low	35.3	Very low	132 Å²	132	141 Å²	141	80%	0.8	80%	0.801	S	S	*	*			trans	-139.5	152.7	171.2	-172.2	0	0	0	0	111.6	V200	V200-V202 HydrophobicContact CG1-CG2 4.47Å
203	L	37.6	Very low	35.5	Very low	153 Å²	153	143.8 Å²	143.8	80%	0.801	82%	0.818	S	S	*	*			trans	-62.7	163.7	-160.4	-85.8	67.2	0	0	0	118.2
204	P	31.9	Very low	35.7	Very low	123 Å²	123	141 Å²	141	80%	0.799	81%	0.81	S	S	*	*			trans	-81.3	151.1	176.4	34.6	-36.3	0	0	0	113.7
205	V	37.8	Very low	35.7	Very low	146 Å²	146	139 Å²	139	89%	0.885	82%	0.817	S	S	*	*			trans	-123.3	147.4	171.7	178.9	0	0	0	0	110.1
206	Q	39.6	Very low	35.7	Very low	190 Å²	190	137 Å²	137	89%	0.888	81%	0.812	S	S	*	*			trans	-82.7	169.4	-167.2	-66.4	177.9	-8.9	0	0	114.6
207	K	31.8	Very low	35.8	Very low	202 Å²	202	137.9 Å²	137.9	88%	0.878	82%	0.82	S	S	*	*			trans	-109.3	119.4	-168.2	175.1	-172.5	-178.6	-177.6	0	111.6
208	P	37.2	Very low	35.7	Very low	120 Å²	120	137.8 Å²	137.8	78%	0.779	82%	0.817	S	S	*	*			trans	-80.2	167.6	168.3	32.3	-32.8	0	0	0	112.6
209	A	35.9	Very low	35.4	Very low	106 Å²	106	138.1 Å²	138.1	88%	0.876	81%	0.81	S	S	*	*			trans	-97.5	-179.5	-168.2	0	0	0	0	0	114.7
210	K	31.7	Very low	35	Very low	209 Å²	209	140.5 Å²	140.5	91%	0.909	81%	0.81	S	S	*	*			trans	-67.7	146.3	-179.4	-62.6	175.9	177.9	177.6	0	112.7
211	A	35.4	Very low	34.4	Very low	104 Å²	104	139.9 Å²	139.9	86%	0.86	81%	0.806	S	S	*	*			trans	-124.9	162.2	147.3	0	0	0	0	0	108.8
212	F	28.5	Very low	34	Very low	180 Å²	180	141.1 Å²	141.1	79%	0.789	81%	0.805	S	S	*	*			trans	-142.9	121.9	-165.8	-175.8	-75.9	0	0	0	109.6
213	I	38.1	Very low	33.5	Very low	170 Å²	170	143.7 Å²	143.7	87%	0.872	81%	0.805	S	S	*	*			trans	-142.3	143.8	175.2	-59.7	-176.4	0	0	0	108.5
214	D	33.8	Very low	32.9	Very low	134 Å²	134	143.7 Å²	143.7	72%	0.717	81%	0.806	S	S	*	*			trans	-76.1	162.3	-169.6	-96	-52.8	0	0	0	116
215	P	33.2	Very low	33	Very low	117 Å²	117	142.7 Å²	142.7	76%	0.76	80%	0.802	S	S	*	*			trans	-95.4	129.8	179.9	35.9	-30.2	0	0	0	113.4
216	A	32.2	Very low	32.6	Very low	90 Å²	90	143.5 Å²	143.5	74%	0.744	80%	0.802	S	S	*	*			trans	-149.7	164.2	164.4	0	0	0	0	0	111.2
217	I	35.8	Very low	32.3	Very low	156 Å²	156	143.8 Å²	143.8	80%	0.8	80%	0.803	S	S	*	*			trans	71.7	111.9	174.2	-52	173	0	0	0	115.1
218	V	33.7	Very low	32.1	Very low	125 Å²	125	143 Å²	143	76%	0.758	80%	0.802	S	S	*	*			trans	-116.8	137.3	161.2	172.1	0	0	0	0	107	V220	V218-V220 HydrophobicContact CG1-CG2 4.18Å
219	P	31.4	Very low	31.7	Very low	113 Å²	113	143.8 Å²	143.8	73%	0.734	81%	0.805	S	S	*	*			trans	-116	150.6	135.3	-7.6	27.4	0	0	0	111.9
220	V	27.5	Very low	31.2	Very low	122 Å²	122	143.3 Å²	143.3	74%	0.739	80%	0.795	S	S	*	*			trans	-95.3	129.9	170.9	175.1	0	0	0	0	108.7	V218	V218-V220 HydrophobicContact CG1-CG2 4.18Å
221	T	32.8	Very low	31.2	Very low	122 Å²	122	141.4 Å²	141.4	75%	0.748	79%	0.794	S	S	*	*			trans	-121.8	133.5	162.8	39.3	0	0	0	0	110.5
222	I	26.7	Very low	30.7	Very low	149 Å²	149	141.1 Å²	141.1	76%	0.764	79%	0.785	S	S	*	*			trans	-96.3	132.4	177.6	-61.5	165.5	0	0	0	107
223	F	30.4	Very low	30.9	Very low	186 Å²	186	140.6 Å²	140.6	82%	0.816	79%	0.79	S	S	*	*			trans	-130.8	135.3	165	-86.2	-80.6	0	0	0	111.1
224	N	26.2	Very low	30.4	Very low	153 Å²	153	137.4 Å²	137.4	82%	0.818	78%	0.783	S	S	*	*			trans	-146.9	111.6	179	171	76.3	0	0	0	107.5
225	S	34.5	Very low	30.4	Very low	102 Å²	102	136.1 Å²	136.1	71%	0.713	78%	0.784	S	S	*	*			trans	-159	116.4	178.2	51.6	0	0	0	0	109.7
226	N	27.5	Very low	30.3	Very low	163 Å²	163	134.8 Å²	134.8	87%	0.872	78%	0.778	S	S	*	*			trans	-77	130.2	154.7	-73	-24.5	0	0	0	107.1
227	E	34.2	Very low	30.3	Very low	196 Å²	196	138.9 Å²	138.9	92%	0.916	78%	0.779	S	S	*	*			trans	-154.5	168.2	143	-123.9	171.3	164.7	0	0	110.9
228	Q	28.5	Very low	30	Very low	186 Å²	186	138.6 Å²	138.6	87%	0.869	77%	0.774	S	S	*	*			trans	-104.6	-157.4	-168.2	-56.9	-175.3	2.8	0	0	111.4
229	V	28.7	Very low	29.8	Very low	137 Å²	137	138.2 Å²	138.2	83%	0.83	78%	0.778	S	S	*	*			trans	87.7	118.4	169.7	-168.5	0	0	0	0	115.3
230	S	24.3	Very low	29.9	Very low	95 Å²	95	141.3 Å²	141.3	66%	0.664	78%	0.782	S	S	*	*			trans	-55.5	159.5	171.7	52.2	0	0	0	0	114.9
231	L	30.9	Very low	29.9	Very low	170 Å²	170	143.2 Å²	143.2	89%	0.89	78%	0.78	S	S	*	*				-164.9	165.7	108.8	-101.8	166.6	0	0	0	112.2
232	S	25.4	Very low	29.7	Very low	97 Å²	97	143.3 Å²	143.3	68%	0.678	78%	0.781	S	S	*	*			trans	-113.7	139.1	-172.7	55.5	0	0	0	0	112.7
233	L	33.4	Very low	29.9	Very low	169 Å²	169	143 Å²	143	89%	0.885	78%	0.776	S	S	*	*			trans	-159.8	140.2	149.5	-79.2	114.1	0	0	0	107.3
234	S	27.6	Very low	29.7	Very low	103 Å²	103	139.5 Å²	139.5	72%	0.72	77%	0.771	S	S	*	*			cis	118.8	96	1.8	73.2	0	0	0	0	114
235	S	33.9	Very low	29.9	Very low	108 Å²	108	140.6 Å²	140.6	76%	0.755	77%	0.771	S	S	*	*			trans	-164.2	111.3	156.3	55.4	0	0	0	0	107.9
236	S	31	Very low	29.4	Very low	89 Å²	89	139.6 Å²	139.6	62%	0.622	77%	0.769	S	S	*	*			cis	83.5	152.7	49.7	79.9	0	0	0	0	113.7
237	F	31.5	Very low	29.6	Very low	176 Å²	176	139 Å²	139	77%	0.772	77%	0.765	S	S	*	*			trans	72.5	130.1	-173.1	-49	-72.7	0	0	0	114.7
238	E	30.7	Very low	29.3	Very low	149 Å²	149	135 Å²	135	70%	0.696	75%	0.754	S	S	*	*			cis	-154.2	164.1	-11.9	-147.2	169.6	125.4	0	0	111
239	S	28.6	Very low	29.5	Very low	118 Å²	118	136 Å²	136	83%	0.825	75%	0.752	S	S	*	*			trans	-142.1	129.1	174.2	-72	0	0	0	0	110.6
240	Q	33.7	Very low	29.6	Very low	177 Å²	177	136 Å²	136	83%	0.827	75%	0.747	S	S	*	*			trans	-120.8	152.9	164.3	-71	-164.8	1.6	0	0	111
241	K	27.9	Very low	30.2	Very low	162 Å²	162	136.5 Å²	136.5	70%	0.704	75%	0.751	S	S	*	*			trans	-152.4	108.5	-164.1	168.4	-112.1	168	-156	0	111	E243	K241-E243 IonicContact NZ-OE1 2.67Å
242	T	28.9	Very low	30.5	Very low	124 Å²	124	133.3 Å²	133.3	76%	0.761	75%	0.748	S	S	*	*			trans	-153.7	114.5	168.1	19.9	0	0	0	0	105.8
243	E	29.4	Very low	31	Very low	142 Å²	142	131.5 Å²	131.5	66%	0.664	75%	0.746	S	S	*	*				86.6	108.6	68.9	-78.8	-174	167.4	0	0	114.8	K241	K241-E243 IonicContact NZ-OE1 2.67Å
244	T	25.9	Very low	31.1	Very low	114 Å²	114	132.6 Å²	132.6	70%	0.699	75%	0.746	S	S	*	*				86.4	146.5	125.7	-58.5	0	0	0	0	120.4
245	Q	30.9	Very low	31.6	Very low	176 Å²	176	134.4 Å²	134.4	82%	0.822	75%	0.752	S	S	*	*			trans	75.2	98.4	164.9	-85	164.8	58.6	0	0	120.8
246	A	25.3	Very low	31.6	Very low	81 Å²	81	138.3 Å²	138.3	67%	0.669	76%	0.755	S	S	*	*				52.3	154.5	103.5	0	0	0	0	0	122.7
247	N	31.5	Very low	31.9	Very low	150 Å²	150	139 Å²	139	80%	0.802	76%	0.758	S	S	*	*			trans	80	128.1	176.5	-52.4	-31.7	0	0	0	114.3
248	T	26.6	Very low	32	Very low	111 Å²	111	136.2 Å²	136.2	68%	0.681	76%	0.76	S	S	*	*			cis	114.4	151.1	25.2	-72.5	0	0	0	0	109.5
249	Y	34.1	Very low	32.4	Very low	209 Å²	209	133.8 Å²	133.8	82%	0.82	76%	0.759	S	S	*	*			trans	81	142.4	-174.3	-57.9	-75.8	0	0	0	116.2
250	D	31.1	Very low	32.6	Very low	135 Å²	135	138.6 Å²	138.6	72%	0.722	76%	0.761	S	S	*	*			cis	-164.6	174	-31.2	-146.2	-23.7	0	0	0	111
251	S	36.8	Very low	32.7	Very low	107 Å²	107	135.9 Å²	135.9	75%	0.748	76%	0.756	S	S	*	*			trans	69.7	148	162.8	-59.4	0	0	0	0	118.6
252	A	35.8	Very low	33.1	Very low	102 Å²	102	135.8 Å²	135.8	84%	0.843	76%	0.758	S	S	*	*			cis	-170	145.1	-28.1	0	0	0	0	0	107
253	G	36.5	Very low	33.5	Very low	60 Å²	60	135.7 Å²	135.7	62%	0.619	76%	0.76	S	S	*	*			cis	169.2	172.8	-7	0	0	0	0	0	110.8
254	H	36.4	Very low	33.9	Very low	192 Å²	192	135.5 Å²	135.5	89%	0.889	76%	0.762	S	S	*	*			trans	63.2	148.2	165.4	-63.5	-92.3	0	0	0	118.2
255	V	36.6	Very low	34.4	Very low	140 Å²	140	137.9 Å²	137.9	85%	0.848	77%	0.765	S	S	*	*			cis	-129.2	166.7	12.3	-174.5	0	0	0	0	111.2
256	K	34.8	Very low	34.4	Very low	191 Å²	191	137.5 Å²	137.5	83%	0.83	76%	0.763	S	S	*	*			trans	-109.5	-164	-174.4	-131.1	-177.8	175	-177.9	0	109.9
257	P	37.2	Very low	34.7	Very low	104 Å²	104	139.9 Å²	139.9	68%	0.675	77%	0.769	S	S	*	*			cis	-139.3	-175.7	-19.9	38.8	-19.8	0	0	0	116.6
258	S	33.5	Very low	34.7	Very low	117 Å²	117	138.7 Å²	138.7	82%	0.818	77%	0.767	S	S	*	*			trans	79.7	149.7	148.4	-94.3	0	0	0	0	120.4
259	S	38.5	Very low	35	Very low	97 Å²	97	139.4 Å²	139.4	68%	0.678	77%	0.771	S	S	*	*			cis	-158.6	142.8	2.9	53.3	0	0	0	0	115.1
260	Y	33.7	Very low	35	Very low	219 Å²	219	135.1 Å²	135.1	86%	0.859	77%	0.769	S	S	*	*			trans	56.9	151.4	141.4	-93.9	-138.8	0	0	0	120.6
261	V	35.7	Very low	35.3	Very low	121 Å²	121	132.8 Å²	132.8	73%	0.733	77%	0.769	S	S	*	*			cis	-137	174.7	17.8	-175.5	0	0	0	0	112
262	E	35.6	Very low	35.2	Very low	159 Å²	159	133.5 Å²	133.5	74%	0.743	77%	0.771	S	S	*	*			trans	-71.4	164.7	-162.6	-56.6	167.9	106.2	0	0	121.8
263	P	37	Very low	35	Very low	122 Å²	122	134 Å²	134	79%	0.792	76%	0.763	S	S	*	*			trans	-116.5	168.8	157.8	41.5	-31.1	0	0	0	114.1
264	I	37.6	Very low	34.7	Very low	138 Å²	138	142.1 Å²	142.1	71%	0.708	78%	0.775	S	S	*	*			trans	-138	124.7	-179.2	-71.3	-175.2	0	0	0	115.2
265	Q	36.5	Very low	34.5	Very low	164 Å²	164	139.2 Å²	139.2	77%	0.766	77%	0.771	S	S	*	*			trans	49	121.6	147.7	-66.2	163.1	3.9	0	0	121.1
266	H	31.9	Very low	34.2	Very low	168 Å²	168	138.3 Å²	138.3	78%	0.778	77%	0.771	S	S	*	*				71.8	135.5	77	-71.1	-64.5	0	0	0	114.1
267	V	32	Very low	34	Very low	131 Å²	131	132.6 Å²	132.6	79%	0.794	77%	0.766	S	S	*	*				-144.5	155.3	70.6	165.9	0	0	0	0	113.4	V269	V267-V269 HydrophobicContact CG1-CG2 4.21Å
268	T	31.3	Very low	33.8	Very low	125 Å²	125	137.2 Å²	137.2	77%	0.767	78%	0.775	S	S	*	*			trans	-127.3	138.1	172.1	-54.9	0	0	0	0	110.8
269	V	33.1	Very low	33.6	Very low	127 Å²	127	137.3 Å²	137.3	77%	0.77	78%	0.776	S	S	*	*			trans	-139.2	142.9	168.9	179.8	0	0	0	0	109.4	V267	V267-V269 HydrophobicContact CG1-CG2 4.21Å
270	P	33	Very low	33.4	Very low	118 Å²	118	136.5 Å²	136.5	77%	0.766	78%	0.783	S	S	*	*			trans	-114	-174.8	-156.3	43.3	-34.9	0	0	0	115.8
271	A	37.5	Very low	33.3	Very low	87 Å²	87	131.9 Å²	131.9	72%	0.719	78%	0.783	S	S	*	*			trans	-109.3	146.1	176.9	0	0	0	0	0	113.9
272	P	36	Very low	33.2	Very low	121 Å²	121	132.1 Å²	132.1	79%	0.786	79%	0.79	S	S	*	*			trans	-99.9	143.8	157.1	35.5	-28.1	0	0	0	110.8
273	V	31	Very low	32.9	Very low	112 Å²	112	128.7 Å²	128.7	68%	0.679	78%	0.783	S	S	*	*			cis	101	99.2	21.1	178.3	0	0	0	0	114.3
274	R	30.8	Very low	32.8	Very low	232 Å²	232	131.2 Å²	131.2	88%	0.875	78%	0.784	S	S	*	*			trans	67.1	168.4	158.2	-61.1	171	177.7	173	-1.5	115.3
275	T	31.8	Very low	32.3	Very low	131 Å²	131	128.7 Å²	128.7	80%	0.804	78%	0.784	S	S	*	*			cis	-134.2	164.9	15	40.5	0	0	0	0	115.1
276	S	30.1	Very low	32.2	Very low	121 Å²	121	126.1 Å²	126.1	85%	0.846	78%	0.784	S	S	*	*			trans	-58.2	157.7	173.2	52.6	0	0	0	0	117.6
277	G	30.5	Very low	32.1	Very low	71 Å²	71	123.1 Å²	123.1	73%	0.732	78%	0.782	S	S	*	*			trans	-175.9	94.7	160.4	0	0	0	0	0	118.7
278	K	32.4	Very low	32.2	Very low	200 Å²	200	125.7 Å²	125.7	87%	0.87	79%	0.786	S	S	*	*			trans	47	107.2	148.1	-65.5	-179.1	177.5	179.6	0	121.6
279	S	29.6	Very low	32.2	Very low	119 Å²	119	128.2 Å²	128.2	83%	0.832	79%	0.788	S	S	*	*				15.4	128	120.8	59.4	0	0	0	0	120.4
280	G	34.3	Very low	32.2	Very low	80 Å²	80	128 Å²	128	83%	0.825	79%	0.787	S	S	*	*			trans	-164.6	114.3	159.6	0	0	0	0	0	111.7
281	S	31.2	Very low	32.1	Very low	123 Å²	123	128.9 Å²	128.9	86%	0.86	79%	0.791	S	S	*	*			trans	-100.4	138	178.5	-50.8	0	0	0	0	111.1
282	S	34.3	Very low	31.8	Very low	126 Å²	126	128.8 Å²	128.8	88%	0.881	80%	0.799	S	S	*	*			trans	-175.8	176	146.5	48.8	0	0	0	0	112
283	S	29.8	Very low	31.6	Very low	86 Å²	86	127.8 Å²	127.8	60%	0.601	80%	0.795	S	S	*	*			trans	-109.5	-167.2	-163.8	43.9	0	0	0	0	113.9
284	H	34.1	Very low	31.7	Very low	176 Å²	176	130.6 Å²	130.6	82%	0.815	81%	0.805	S	S	*	*			trans	82.8	127.7	174.5	-46.6	-74.2	0	0	0	114.1
285	A	28.1	Very low	31.6	Very low	85 Å²	85	123.8 Å²	123.8	70%	0.702	79%	0.793	S	S	*	*			cis	110.9	160.6	24.1	0	0	0	0	0	111.6
286	S	33.1	Very low	31.6	Very low	109 Å²	109	124.7 Å²	124.7	76%	0.762	80%	0.798	S	S	*	*			trans	81.5	116.6	-159.4	-38.1	0	0	0	0	110.7
287	S	30.1	Very low	31.6	Very low	106 Å²	106	124.5 Å²	124.5	74%	0.741	80%	0.797	S	S	*	*				62.3	135.7	70.2	74.7	0	0	0	0	112.2
288	E	33.8	Very low	31.7	Very low	185 Å²	185	126.5 Å²	126.5	86%	0.864	80%	0.8	S	S	*	*			cis	-137.4	-170.5	40.9	-69.8	179	109.6	0	0	116.5
289	Q	31.6	Very low	31.7	Very low	177 Å²	177	121.8 Å²	121.8	83%	0.827	79%	0.792	S	S	*	*			trans	-70.9	170.7	-177.6	-56.4	166.4	7.1	0	0	110.9
290	T	33.3	Very low	31.8	Very low	122 Å²	122	125.7 Å²	125.7	75%	0.748	79%	0.794	S	S	*	*			cis	-150.4	147.3	41.8	24.5	0	0	0	0	116.7
291	T	31.5	Very low	31.6	Very low	137 Å²	137	126.7 Å²	126.7	84%	0.84	79%	0.789	S	S	*	*			trans	-15.2	143.3	153.3	52.2	0	0	0	0	120.3
292	G	31.2	Very low	31.6	Very low	85 Å²	85	125.1 Å²	125.1	88%	0.876	78%	0.783	S	S	*	*			trans	172.7	48.9	164.8	0	0	0	0	0	117.5
293	S	30.8	Very low	31.5	Very low	101 Å²	101	127.7 Å²	127.7	71%	0.706	78%	0.781	S	S	*	*			trans	-103.8	136	-171.8	60.3	0	0	0	0	115.4
294	L	32.7	Very low	31.6	Very low	171 Å²	171	128.6 Å²	128.6	90%	0.895	78%	0.783	S	S	*	*			trans	-167.1	108.7	155.6	-102.8	154.1	0	0	0	106.7
295	S	29.3	Very low	31.6	Very low	88 Å²	88	126.7 Å²	126.7	62%	0.615	78%	0.779	S	S	*	*			cis	87.2	101.5	25.9	-49.3	0	0	0	0	115.3
296	T	32.8	Very low	31.8	Very low	151 Å²	151	129.1 Å²	129.1	93%	0.926	79%	0.785	S	S	*	*			trans	-154.5	94.8	154.9	4.5	0	0	0	0	111.3
297	S	28.4	Very low	32	Very low	117 Å²	117	135 Å²	135	82%	0.818	79%	0.791	S	S	*	*			trans	-154.4	131.8	168.1	55.3	0	0	0	0	111.4
298	S	34.4	Very low	32.3	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	79%	0.792	S	S	*	*			trans	178.7	141.3	160.2	28.2	0	0	0	0	107.6
299	S	31	Very low	32.5	Very low	100 Å²	100	130.2 Å²	130.2	70%	0.699	78%	0.783	S	S	*	*			cis	87.2	90.7	17	88.7	0	0	0	0	117
300	F	31.3	Very low	32.9	Very low	202 Å²	202	128.4 Å²	128.4	89%	0.886	78%	0.779	S	S	*	*			trans	55.5	133.8	131.8	-81.6	-79.1	0	0	0	123
301	S	30.8	Very low	33	Very low	101 Å²	101	129.4 Å²	129.4	71%	0.706	78%	0.78	S	S	*	*			trans	84	102.3	138.3	-62.9	0	0	0	0	122
302	A	31.4	Very low	33.1	Very low	90 Å²	90	130.4 Å²	130.4	74%	0.744	78%	0.775	S	S	*	*				78.5	156.1	112.3	0	0	0	0	0	122.3
303	E	31.6	Very low	33.3	Very low	179 Å²	179	132.1 Å²	132.1	84%	0.836	76%	0.763	S	S	*	*			trans	67.2	150.5	166.6	-52.9	-166	129.2	0	0	118.4
304	T	32.4	Very low	33.6	Very low	105 Å²	105	135.9 Å²	135.9	64%	0.644	77%	0.769	S	S	*	*			cis	-154.8	158.1	-27.5	25.2	0	0	0	0	110.1
305	N	34.1	Very low	33.4	Very low	136 Å²	136	133.6 Å²	133.6	73%	0.727	77%	0.767	S	S	*	*			trans	45.2	131.4	149	-58.4	-20	0	0	0	122.5
306	T	33.3	Very low	33.6	Very low	136 Å²	136	134.7 Å²	134.7	83%	0.834	78%	0.781	S	S	*	*				178.3	161.3	102.1	30.5	0	0	0	0	113.7
307	R	37	Very low	33.3	Very low	233 Å²	233	133.6 Å²	133.6	88%	0.879	78%	0.78	S	S	*	*			trans	70.4	145.8	171.8	-72.2	179.5	163.5	169.9	-4.8	118
308	S	36	Very low	33.5	Very low	109 Å²	109	132.2 Å²	132.2	76%	0.762	78%	0.775	S	S	*	*			cis	-173.7	161.7	-25.6	-106.3	0	0	0	0	109.9
309	A	38.9	Very low	33.1	Very low	82 Å²	82	136.4 Å²	136.4	68%	0.678	78%	0.782	S	S	*	*			trans	71	144.3	167.5	0	0	0	0	0	118.2
310	D	39	Very low	33.1	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	79%	0.791	S	S	*	*			cis	-164	150.2	-20.5	-94.4	-30	0	0	0	108.4
311	N	35.9	Very low	32.8	Very low	143 Å²	143	135.3 Å²	135.3	77%	0.765	78%	0.779	S	S	*	*			trans	53.8	150	150.6	-66	-7.4	0	0	0	121
312	E	33.5	Very low	32.7	Very low	158 Å²	158	140.7 Å²	140.7	74%	0.738	79%	0.79	S	S	*	*			cis	-151.7	144.6	8.8	-126.2	178.3	140.7	0	0	112.2
313	I	34.5	Very low	32.4	Very low	121 Å²	121	144.6 Å²	144.6	62%	0.621	79%	0.793	S	S	*	*			trans	17.6	118.5	149.7	-39.1	153	0	0	0	120.7
314	H	36.9	Very low	32.3	Very low	180 Å²	180	141.5 Å²	141.5	83%	0.833	79%	0.791	S	S	*	*				179.1	150.3	106.4	-102.2	-69.3	0	0	0	113.6
315	S	29.5	Very low	32.1	Very low	123 Å²	123	141.3 Å²	141.3	86%	0.86	79%	0.794	S	S	*	*			trans	-106.3	136.3	-172.5	-48.3	0	0	0	0	113.4
316	A	33	Very low	32.1	Very low	110 Å²	110	143.2 Å²	143.2	91%	0.909	80%	0.798	S	S	*	*			trans	-147.2	154.8	161.9	0	0	0	0	0	110.4
317	S	27.7	Very low	31.9	Very low	129 Å²	129	142.5 Å²	142.5	90%	0.902	79%	0.794	S	S	*	*			trans	-101.5	122.8	-178.1	176.4	0	0	0	0	111.1
318	A	31	Very low	31.5	Very low	87 Å²	87	134.9 Å²	134.9	72%	0.719	78%	0.781	S	S	*	*			trans	-150.8	155.5	169.3	0	0	0	0	0	111.1
319	E	27.2	Very low	31.2	Very low	202 Å²	202	137.7 Å²	137.7	94%	0.944	78%	0.78	S	S	*	*			trans	-81.2	121.5	166.9	-61.3	175.4	105	0	0	108.8
320	E	29.8	Very low	30.8	Very low	187 Å²	187	137.8 Å²	137.8	87%	0.874	77%	0.771	S	S	*	*			trans	-131.6	149.1	172.9	-78.4	-153	121.1	0	0	114.1
321	S	26.3	Very low	30.4	Very low	91 Å²	91	135.9 Å²	135.9	64%	0.636	76%	0.761	S	S	*	*			trans	-87.4	136.6	-169.8	57.7	0	0	0	0	113.5	Q323	S321-Q323 VanDerWaalsContact C-N 3.27Å; S321-Q323 PolarHBondContact O-N 3.35Å
322	F	27.1	Very low	30.1	Very low	215 Å²	215	139.6 Å²	139.6	94%	0.943	76%	0.764	S	S	*	*			trans	-73.4	79.7	161.7	-95.5	-90.3	0	0	0	111.3	S324	F322-S324 PolarHBondContact O-N 3.07Å; F322-S324 VanDerWaalsContact O-N 3.15Å
323	Q	26.1	Very low	30.2	Very low	171 Å²	171	137 Å²	137	80%	0.799	76%	0.758	S	S	*	*			trans	-73.3	95.9	163.7	-77.2	-169.8	-6.7	0	0	110	S321 S325	S321-Q323 VanDerWaalsContact C-N 3.27Å; S321-Q323 PolarHBondContact O-N 3.35Å; Q323-S325 PolarHBondContact O-N 2.97Å
324	S	29.2	Very low	29.8	Very low	114 Å²	114	140 Å²	140	80%	0.797	77%	0.767	S	S	*	*			trans	-76.9	100.5	163.9	-173.7	0	0	0	0	109.3	F322 E326	F322-S324 PolarHBondContact O-N 3.07Å; F322-S324 VanDerWaalsContact O-N 3.15Å; S324-E326 VanDerWaalsContact C-N 3.28Å; S324-E326 PolarHBondContact O-N 3.3Å
325	S	28.2	Very low	29.6	Very low	102 Å²	102	136.6 Å²	136.6	71%	0.713	76%	0.759	S	S	*	*			trans	-77.1	73.6	180	64.7	0	0	0	0	111.8	Q323 T327	Q323-S325 PolarHBondContact O-N 2.97Å; S325-T327 PolarHBondContact O-N 3.35Å
326	E	34.3	Very low	29.5	Very low	175 Å²	175	138.2 Å²	138.2	82%	0.818	75%	0.753	S	S	*	*			trans	-66.7	100.1	172.8	-170.3	178.1	-149.5	0	0	109.9	S324 A328	S324-E326 VanDerWaalsContact C-N 3.28Å; S324-E326 PolarHBondContact O-N 3.3Å; E326-A328 VanDerWaalsContact C-N 3.3Å; E326-A328 PolarHBondContact O-N 3.4Å
327	T	28.3	Very low	29.2	Very low	121 Å²	121	138.5 Å²	138.5	74%	0.742	75%	0.748	S	S	*	*			trans	-74.3	79	-175.4	43	0	0	0	0	111.7	S325 K329	S325-T327 PolarHBondContact O-N 3.35Å; T327-K329 PolarHBondContact O-N 2.84Å
328	A	28.7	Very low	29.3	Very low	73 Å²	73	138.3 Å²	138.3	60%	0.603	74%	0.741	S	S	*	*			trans	-55.2	108.7	179.4	0	0	0	0	0	112	E326 V330	E326-A328 VanDerWaalsContact C-N 3.3Å; E326-A328 PolarHBondContact O-N 3.4Å; A328-V330 PolarHBondContact O-N 2.87Å
329	K	31	Very low	29.1	Very low	169 Å²	169	143.2 Å²	143.2	74%	0.735	75%	0.746	S	S	*	*			trans	-71.1	90.4	176.5	-69.4	-179.3	179.1	176.6	0	110.5	T327 L331	T327-K329 PolarHBondContact O-N 2.84Å; K329-L331 PolarHBondContact O-N 3.25Å
330	V	29.3	Very low	29	Very low	83 Å²	83	138.3 Å²	138.3	50%	0.503	74%	0.735	S	S	.	*			trans	-74.7	102.1	179.5	-179.1	0	0	0	0	110.8	A328 R332 Y855	A328-V330 PolarHBondContact O-N 2.87Å; V330-R332 PolarHBondContact O-N 3.4Å; V330-Y855 HydrophobicContact CG1-CE1 3.92Å
331	L	31.2	Very low	29	Very low	99 Å²	99	135.2 Å²	135.2	52%	0.518	73%	0.731	S	S	.	*			trans	-75.2	105.1	174.8	-159.4	78.6	0	0	0	110.8	K329 V333	K329-L331 PolarHBondContact O-N 3.25Å; L331-V333 HydrophobicContact CD2-CG2 4.16Å; L331-V333 PolarHBondContact O-N 3.39Å
332	R	29.6	Very low	29.2	Very low	222 Å²	222	136.4 Å²	136.4	84%	0.838	73%	0.734	S	S	*	*			trans	-82.3	88.2	171.7	-74.3	-174.7	178.3	174.1	0.1	110.7	V330 K334	V330-R332 PolarHBondContact O-N 3.4Å; R332-K334 PolarHBondContact O-N 3.01Å; R332-K334 VanDerWaalsContact O-N 3.1Å
333	V	34.4	Very low	29.3	Very low	102 Å²	102	132.8 Å²	132.8	62%	0.618	73%	0.73	S	S	*	*			trans	-64.1	110.1	169	-178.2	0	0	0	0	109.2	L331 V335	L331-V333 HydrophobicContact CD2-CG2 4.16Å; L331-V333 PolarHBondContact O-N 3.39Å; V333-V335 PolarHBondContact O-N 3.33Å
334	K	26.9	Very low	29.5	Very low	185 Å²	185	135.8 Å²	135.8	80%	0.804	73%	0.734	S	S	*	*			trans	-90.5	83.7	-177.8	-169.2	-179.2	-176.6	-177.8	0	110.2	R332 Q336	R332-K334 PolarHBondContact O-N 3.01Å; R332-K334 VanDerWaalsContact O-N 3.1Å; K334-Q336 PolarHBondContact O-N 2.87Å; K334-Q336 VanDerWaalsContact O-N 3.1Å
335	V	32	Very low	29.5	Very low	109 Å²	109	133.8 Å²	133.8	66%	0.661	73%	0.731	S	S	*	*			trans	-57.4	114.5	171.8	-178.6	0	0	0	0	108.9	V333	V333-V335 PolarHBondContact O-N 3.33Å
336	Q	27.8	Very low	29.5	Very low	156 Å²	156	136.3 Å²	136.3	73%	0.729	74%	0.735	S	S	*	*			trans	-81.1	124.7	169.6	-64.3	-167.2	21	0	0	108.5	K334 V338	K334-Q336 PolarHBondContact O-N 2.87Å; K334-Q336 VanDerWaalsContact O-N 3.1Å; Q336-V338 PolarHBondContact O-N 3.39Å
337	S	27.7	Very low	29.3	Very low	116 Å²	116	137 Å²	137	81%	0.811	74%	0.738	S	S	*	*			trans	-71	96.3	167.2	-178.5	0	0	0	0	108.1	K339	S337-K339 PolarHBondContact O-N 2.74Å
338	V	28.7	Very low	29.5	Very low	126 Å²	126	138.4 Å²	138.4	76%	0.764	74%	0.736	S	S	*	*			trans	-68.5	111.6	169.7	-178	0	0	0	0	106.8	Q336	Q336-V338 PolarHBondContact O-N 3.39Å
339	K	27.7	Very low	29.6	Very low	189 Å²	189	140.8 Å²	140.8	82%	0.822	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-58.3	139.4	170.9	-73.5	-174.6	174.9	-175.8	0	108.9	S337	S337-K339 PolarHBondContact O-N 2.74Å
340	S	25.5	Very low	29.6	Very low	100 Å²	100	138.4 Å²	138.4	70%	0.699	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-47.6	132	174.7	-44.4	0	0	0	0	110.4	T342	S340-T342 PolarHBondContact O-N 3.05Å
341	P	29.2	Very low	29.9	Very low	122 Å²	122	143.9 Å²	143.9	79%	0.792	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-61.8	122.8	173.3	26	-32.7	0	0	0	108.8	V343	P341-V343 PolarHBondContact O-N 3.1Å
342	T	30.4	Very low	29.9	Very low	116 Å²	116	147.9 Å²	147.9	71%	0.712	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-57.6	126.8	174.8	-55.3	0	0	0	0	109.2	S340 W344	S340-T342 PolarHBondContact O-N 3.05Å; T342-W344 PolarHBondContact O-N 2.71Å; T342-W344 VanDerWaalsContact O-N 3.09Å
343	V	29	Very low	29.8	Very low	139 Å²	139	143.3 Å²	143.3	84%	0.842	77%	0.774	S	S	*	*			trans	-67.4	109.4	175	178.9	0	0	0	0	108.5	P341	P341-V343 PolarHBondContact O-N 3.1Å
344	W	30.4	Very low	29.7	Very low	233 Å²	233	145 Å²	145	88%	0.883	78%	0.784	S	S	*	*			trans	-82.7	145.7	166.6	-80.6	75.8	0	0	0	110.1	T342	T342-W344 PolarHBondContact O-N 2.71Å; T342-W344 VanDerWaalsContact O-N 3.09Å
345	G	29.7	Very low	29.8	Very low	72 Å²	72	143 Å²	143	74%	0.742	78%	0.782	S	S	*	*			trans	-68.8	144.6	-170.4	0	0	0	0	0	114.4
346	I	27	Very low	29.6	Very low	156 Å²	156	144.6 Å²	144.6	80%	0.8	79%	0.786	S	S	*	*			trans	-29.1	131.7	165.5	-56.8	159.7	0	0	0	114	Q348	I346-Q348 HydrophobicContact CG2-CG 3.94Å
347	E	30	Very low	29.8	Very low	190 Å²	190	142.9 Å²	142.9	89%	0.888	79%	0.789	S	S	*	*			trans	-129.1	126.7	146.5	-166.5	170.7	-157.9	0	0	108.9
348	Q	32.7	Very low	29.7	Very low	149 Å²	149	141.1 Å²	141.1	70%	0.696	78%	0.781	S	S	*	*			trans	-96.6	126.3	179.8	-72.3	-173.9	-8.8	0	0	110.3	I346 V350	I346-Q348 HydrophobicContact CG2-CG 3.94Å; Q348-V350 VanDerWaalsContact C-N 3.32Å; Q348-V350 PolarHBondContact O-N 2.59Å
349	P	32.3	Very low	29.9	Very low	123 Å²	123	141.7 Å²	141.7	80%	0.799	78%	0.784	S	S	*	*			trans	-76.1	80.6	176	31.1	-34.7	0	0	0	111.5	K351	P349-K351 PolarHBondContact O-N 3.28Å
350	V	30.1	Very low	30	Very low	120 Å²	120	137.6 Å²	137.6	73%	0.727	78%	0.78	S	S	*	*			trans	-68.7	109.1	171.7	-179.9	0	0	0	0	109.6	Q348	Q348-V350 VanDerWaalsContact C-N 3.32Å; Q348-V350 PolarHBondContact O-N 2.59Å
351	K	35.5	Very low	30.4	Very low	197 Å²	197	137 Å²	137	86%	0.857	78%	0.775	S	S	*	*			trans	-98	115.3	168.9	-77.4	-168.4	172.6	-174.8	0	111	P349	P349-K351 PolarHBondContact O-N 3.28Å
352	K	32.2	Very low	30.7	Very low	183 Å²	183	139.4 Å²	139.4	80%	0.796	78%	0.776	S	S	*	*			trans	-65.5	149.8	173.2	-69.4	179.4	175.4	178.7	0	111.6
353	P	25.7	Very low	30.8	Very low	126 Å²	126	140 Å²	140	82%	0.818	77%	0.771	S	S	*	*			trans	-74.7	144.4	159.9	33.2	-33.3	0	0	0	110.8
354	V	32.4	Very low	31.1	Very low	137 Å²	137	139 Å²	139	83%	0.83	77%	0.765	S	S	*	*			trans	-143.2	141.3	169.6	-177	0	0	0	0	107.8
355	L	29.9	Very low	31.2	Very low	145 Å²	145	134.9 Å²	134.9	76%	0.759	75%	0.753	S	S	*	*			trans	-105.1	137.5	-173.1	-74.9	111.5	0	0	0	113.5
356	L	28.6	Very low	31.4	Very low	142 Å²	142	138.2 Å²	138.2	74%	0.743	75%	0.75	S	S	*	*			trans	59.8	169.1	140.2	-62.3	-177.9	0	0	0	118	A358	L356-A358 HydrophobicContact CD2-CB 4.35Å
357	P	31.3	Very low	31.7	Very low	120 Å²	120	140.8 Å²	140.8	78%	0.779	75%	0.749	S	S	*	*			cis	-97.8	167.8	0.6	39.6	-32.9	0	0	0	114.1
358	A	26	Very low	31.8	Very low	79 Å²	79	143 Å²	143	65%	0.653	75%	0.749	S	S	*	*			cis	92	74.6	18.3	0	0	0	0	0	117.4	L356	L356-A358 HydrophobicContact CD2-CB 4.35Å
359	V	32.5	Very low	32	Very low	137 Å²	137	140.2 Å²	140.2	83%	0.83	75%	0.745	S	S	*	*			trans	-145.6	113.9	154	-173	0	0	0	0	104.8
360	S	30.3	Very low	32.1	Very low	104 Å²	104	144.1 Å²	144.1	73%	0.727	75%	0.745	S	S	*	*				57.2	128	90	-140.2	0	0	0	0	113.6
361	S	33.3	Very low	32.3	Very low	86 Å²	86	145.3 Å²	145.3	60%	0.601	75%	0.746	S	S	*	*			cis	-153.9	-150.1	-2.5	19.9	0	0	0	0	108.1
362	E	35.6	Very low	32.3	Very low	173 Å²	173	139.3 Å²	139.3	81%	0.808	74%	0.74	S	S	*	*			cis	-157.2	-90.8	10.9	-159.5	137.2	109.8	0	0	114.1
363	E	32.4	Very low	32.4	Very low	130 Å²	130	137.4 Å²	137.4	61%	0.607	74%	0.738	S	S	*	*			trans	-139.9	168.1	-165.4	-73.7	-140.9	120.8	0	0	110.5	K365	E363-K365 WeakPolarHBondContact OE1-CE 3.34Å; E363-K365 IonicContact OE1-NZ 2.65Å; E363-K365 PolarHBondContact OE1-NZ 3.25Å; E363-K365 IonicContact OE2-NZ 2.74Å; E363-K365 PolarHBondContact OE2-NZ 2.93Å
364	T	35.1	Very low	32.9	Very low	118 Å²	118	140.5 Å²	140.5	72%	0.724	74%	0.741	S	S	*	*			cis	-153.2	161.8	37	-45.2	0	0	0	0	115
365	K	32.7	Very low	32.9	Very low	146 Å²	146	139.9 Å²	139.9	64%	0.635	73%	0.732	S	S	*	*			trans	-38.1	166.6	170.3	-60	130.2	-170	150.2	0	114.7	E363	E363-K365 WeakPolarHBondContact OE1-CE 3.34Å; E363-K365 IonicContact OE1-NZ 2.65Å; E363-K365 PolarHBondContact OE1-NZ 3.25Å; E363-K365 IonicContact OE2-NZ 2.74Å; E363-K365 PolarHBondContact OE2-NZ 2.93Å
366	E	33.6	Very low	33	Very low	142 Å²	142	141.8 Å²	141.8	66%	0.664	74%	0.735	S	S	*	*				-174.3	142.7	55.7	-175	162.5	-147.7	0	0	118.2
367	R	33.5	Very low	33.4	Very low	209 Å²	209	140.1 Å²	140.1	79%	0.789	73%	0.733	S	S	*	*			trans	61.7	160.7	157.9	-76.7	171.1	-146.7	-162.7	16.3	121
368	R	31.9	Very low	33.9	Very low	236 Å²	236	141.1 Å²	141.1	89%	0.891	74%	0.736	S	S	*	*			cis	-167.2	175.2	-46.1	-113.2	-149.5	173.6	179.5	0	109.1
369	P	37.2	Very low	34.4	Very low	92 Å²	92	142.3 Å²	142.3	60%	0.597	74%	0.737	S	S	*	*			trans	-105.6	-166	-151.2	43.7	-39.8	0	0	0	115
370	Y	34.5	Very low	34.7	Very low	205 Å²	205	141.6 Å²	141.6	80%	0.804	74%	0.735	S	S	*	*				-170.4	116.7	115.8	-113.5	-114.6	0	0	0	110
371	I	33.9	Very low	34.9	Very low	145 Å²	145	142.2 Å²	142.2	74%	0.744	74%	0.739	S	S	*	*				71.8	125.8	109.7	-62.7	-165.6	0	0	0	117.2
372	G	36.6	Very low	35.1	Very low	71 Å²	71	143.5 Å²	143.5	73%	0.732	75%	0.749	S	S	*	*			trans	168.6	77.9	168	0	0	0	0	0	113.5
373	N	33.3	Very low	34.9	Very low	143 Å²	143	139.8 Å²	139.8	77%	0.765	75%	0.748	S	S	*	*			trans	-102.7	137.5	-179.2	-67.1	-4.5	0	0	0	112
374	E	36.1	Very low	34.9	Very low	190 Å²	190	139 Å²	139	89%	0.888	76%	0.756	S	S	*	*			trans	-156.6	157	135	-73.8	-151.6	147	0	0	108.4
375	I	33	Very low	34.9	Very low	124 Å²	124	140.3 Å²	140.3	64%	0.636	76%	0.764	S	S	*	*				-175.8	108.9	-51.5	-101.5	163.5	0	0	0	105.3
376	F	32.3	Very low	34.8	Very low	186 Å²	186	136.4 Å²	136.4	82%	0.816	77%	0.765	S	S	*	*			trans	56.7	168.8	149.4	-73.8	-88.5	0	0	0	121.9
377	P	35.7	Very low	34.9	Very low	107 Å²	107	135.1 Å²	135.1	70%	0.695	77%	0.769	S	S	*	*			cis	-124.6	156.3	-10.4	32.3	-15	0	0	0	116.2
378	V	42.7	Very low	34.8	Very low	140 Å²	140	132 Å²	132	85%	0.848	77%	0.766	S	S	*	*			trans	-129	131.8	150.8	177.8	0	0	0	0	107.8
379	P	37.1	Very low	34.5	Very low	105 Å²	105	126.7 Å²	126.7	68%	0.682	76%	0.76	S	S	*	*			trans	-146.1	171.6	150.5	40.5	-25.7	0	0	0	113.5
380	P	37.6	Very low	34.4	Very low	122 Å²	122	130.4 Å²	130.4	79%	0.792	77%	0.77	S	S	*	*			cis	-136.3	-175.8	-47.6	40.1	-25	0	0	0	111.8
381	S	35.9	Very low	34.1	Very low	116 Å²	116	125.4 Å²	125.4	81%	0.811	77%	0.765	S	S	*	*			trans	-97.5	148.3	168.3	51.3	0	0	0	0	113
382	S	37.4	Very low	33.8	Very low	114 Å²	114	124 Å²	124	80%	0.797	77%	0.768	S	S	*	*			trans	-148.3	139.1	155.8	54.6	0	0	0	0	107.9
383	A	31.1	Very low	33.7	Very low	95 Å²	95	124.6 Å²	124.6	79%	0.785	77%	0.774	S	S	*	*			cis	82.4	89.5	13.3	0	0	0	0	0	116.7
384	S	32.2	Very low	33.5	Very low	113 Å²	113	126.3 Å²	126.3	79%	0.79	78%	0.78	S	S	*	*			trans	-172.2	143.3	140.5	45.6	0	0	0	0	113.2
385	V	35.6	Very low	33.6	Very low	145 Å²	145	121.4 Å²	121.4	88%	0.879	77%	0.765	S	S	*	*			trans	31.2	134.2	131.8	-170.5	0	0	0	0	118.4
386	G	30.4	Very low	33.6	Very low	64 Å²	64	121.7 Å²	121.7	66%	0.66	77%	0.767	S	S	*	*			cis	-176.1	-152.3	17.4	0	0	0	0	0	114.3
387	P	35.9	Very low	33.5	Very low	116 Å²	116	118.5 Å²	118.5	75%	0.753	76%	0.759	S	S	*	*				-133.1	-158.4	-122.3	28.5	-3.9	0	0	0	115.9
388	I	29.9	Very low	33.5	Very low	142 Å²	142	121.7 Å²	121.7	73%	0.728	77%	0.768	S	S	*	*			trans	74.5	118.1	157.5	21.3	178.7	0	0	0	122.2
389	T	27.4	Very low	32.9	Very low	125 Å²	125	121.8 Å²	121.8	77%	0.767	76%	0.764	S	S	*	*			trans	59.8	160.1	143.8	40.8	0	0	0	0	119.1
390	E	33.1	Very low	32.6	Very low	170 Å²	170	121.8 Å²	121.8	79%	0.794	76%	0.764	S	S	*	*			cis	-119.9	162.5	14.9	-68.2	175.8	145.6	0	0	110.8
391	S	28.4	Very low	32.2	Very low	100 Å²	100	125.6 Å²	125.6	70%	0.699	77%	0.768	S	S	*	*				51.7	135.3	62.8	154.6	0	0	0	0	113.4
392	S	29.3	Very low	31.9	Very low	116 Å²	116	124.9 Å²	124.9	81%	0.811	76%	0.761	S	S	*	*			cis	-161.3	157	-12.8	44.7	0	0	0	0	108.5
393	G	33.3	Very low	31.6	Very low	84 Å²	84	128 Å²	128	87%	0.866	77%	0.765	S	S	*	*			trans	177.9	59.4	-171	0	0	0	0	0	117.6
394	M	30	Very low	31.5	Very low	179 Å²	179	129.7 Å²	129.7	88%	0.882	77%	0.766	S	S	*	*			trans	-101.9	169.3	163.9	-103.6	-72.9	-159.9	0	0	108.1
395	P	36.9	Very low	31.2	Very low	87 Å²	87	130.8 Å²	130.8	57%	0.565	77%	0.767	S	S	*	*			cis	-141.7	-159	-4.1	41.5	-20.8	0	0	0	114.2
396	N	33.2	Very low	30.8	Very low	130 Å²	130	128.5 Å²	128.5	70%	0.695	76%	0.763	S	S	*	*			trans	66.4	161	150.3	-68.8	17	0	0	0	118.9
397	D	29.9	Very low	30.6	Very low	118 Å²	118	130.6 Å²	130.6	63%	0.631	77%	0.765	S	S	*	*			cis	-161.1	123.4	-21.3	-104.8	-30.3	0	0	0	108.6
398	I	35.2	Very low	30.2	Very low	175 Å²	175	132.3 Å²	132.3	90%	0.897	77%	0.774	S	S	*	*			trans	-142.3	120.1	149.9	-60	-173.5	0	0	0	108.1
399	N	30.5	Very low	30	Very low	142 Å²	142	130.8 Å²	130.8	76%	0.759	77%	0.771	S	S	*	*			trans	-97.7	-174.8	-174	-121.3	-18.8	0	0	0	111.3
400	P	32.3	Very low	29.9	Very low	104 Å²	104	131.6 Å²	131.6	68%	0.675	77%	0.77	S	S	*	*			trans	-106.8	167.8	-146.8	40.4	-31.1	0	0	0	114.7
401	F	29	Very low	29.6	Very low	203 Å²	203	132.3 Å²	132.3	89%	0.89	77%	0.77	S	S	*	*			trans	-108.6	115.1	168.4	-92.1	-81.4	0	0	0	112.2
402	P	28.5	Very low	29.5	Very low	100 Å²	100	133.7 Å²	133.7	65%	0.649	78%	0.775	S	S	*	*			trans	-97.8	135.1	171	34.9	-30.2	0	0	0	112.6
403	M	31.1	Very low	29.5	Very low	181 Å²	181	138.6 Å²	138.6	89%	0.892	78%	0.781	S	S	*	*			trans	-135.9	102.2	158.2	-66.7	-172.5	178.9	0	0	106.6
404	T	30.2	Very low	29.3	Very low	130 Å²	130	139.7 Å²	139.7	80%	0.798	78%	0.776	S	S	*	*				75.2	126.7	61.8	-54.3	0	0	0	0	111.7
405	V	25.7	Very low	29.4	Very low	136 Å²	136	140.3 Å²	140.3	82%	0.824	77%	0.774	S	S	*	*			trans	-94.8	143.7	-161.6	-177.8	0	0	0	0	112.2
406	A	26.4	Very low	29.2	Very low	96 Å²	96	141.1 Å²	141.1	79%	0.793	78%	0.781	S	S	*	*			trans	-128.5	121.1	161	0	0	0	0	0	109.9
407	P	26.4	Very low	29.3	Very low	108 Å²	108	139.7 Å²	139.7	70%	0.701	78%	0.781	S	S	*	*			trans	-95.4	150.1	-176.5	35.9	-33.9	0	0	0	113.4
408	V	27.3	Very low	29.6	Very low	153 Å²	153	138.7 Å²	138.7	93%	0.927	78%	0.784	S	S	*	*			trans	-132.4	150.2	162.6	-175.8	0	0	0	0	108.6
409	T	25.1	Very low	29.5	Very low	109 Å²	109	135.1 Å²	135.1	67%	0.669	77%	0.774	S	S	*	*			trans	-132.6	169.8	-146.3	-40.4	0	0	0	0	112.5
410	L	25.2	Very low	29.6	Very low	143 Å²	143	133.8 Å²	133.8	75%	0.749	78%	0.776	S	S	*	*			trans	82.4	147	167.9	-47.8	174.1	0	0	0	115
411	K	28.5	Very low	29.7	Very low	184 Å²	184	135.1 Å²	135.1	80%	0.8	79%	0.788	S	S	*	*			cis	-146.8	139.9	0.4	-133.8	157.7	-170.5	171	0	110.6
412	T	24.5	Very low	29.9	Very low	130 Å²	130	130.9 Å²	130.9	80%	0.798	78%	0.784	S	S	*	*			trans	-89.8	153	175.6	44.9	0	0	0	0	112.1
413	K	30.2	Very low	30.1	Very low	218 Å²	218	130.7 Å²	130.7	95%	0.948	79%	0.791	S	S	*	*			trans	-150.3	126.8	143.9	-120.9	176.6	-175.9	-179.8	0	110
414	S	28.2	Very low	30.3	Very low	107 Å²	107	127.1 Å²	127.1	75%	0.748	78%	0.783	S	S	*	*			trans	-128.4	145.6	-171.9	45	0	0	0	0	111.2
415	K	32.9	Very low	30.5	Very low	193 Å²	193	126.7 Å²	126.7	84%	0.839	79%	0.786	S	S	*	*			trans	-172.5	123.2	157.3	-102.9	166.1	-177.7	-169.4	0	105
416	S	32.8	Very low	30.9	Very low	103 Å²	103	124.1 Å²	124.1	72%	0.72	79%	0.786	S	S	*	*			cis	59.3	122.3	48.2	83.5	0	0	0	0	112
417	S	35.9	Very low	31.4	Very low	100 Å²	100	125.1 Å²	125.1	70%	0.699	79%	0.787	S	S	*	*			cis	-163.3	-175.9	4.9	48.5	0	0	0	0	110.7
418	S	34.8	Very low	31.7	Very low	98 Å²	98	129.8 Å²	129.8	69%	0.685	80%	0.797	S	S	*	*			trans	34.6	141.1	140.6	60	0	0	0	0	121.6
419	S	34.7	Very low	32	Very low	100 Å²	100	128.4 Å²	128.4	70%	0.699	79%	0.794	S	S	*	*			cis	178	149.2	-13.3	42.7	0	0	0	0	108.4
420	S	31.5	Very low	32.3	Very low	114 Å²	114	126.1 Å²	126.1	80%	0.797	79%	0.792	S	S	*	*			trans	39.3	107.4	152.6	60.5	0	0	0	0	120.6
421	S	35.4	Very low	32.6	Very low	131 Å²	131	125.4 Å²	125.4	92%	0.916	80%	0.799	S	S	*	*			trans	-147.6	149.2	144.2	58.7	0	0	0	0	110.1
422	S	32.6	Very low	32.6	Very low	115 Å²	115	122.1 Å²	122.1	80%	0.804	79%	0.794	S	S	*	*			trans	-118.9	165.7	-170.3	49.7	0	0	0	0	112.5
423	A	33	Very low	32.8	Very low	96 Å²	96	125 Å²	125	79%	0.793	80%	0.799	S	S	*	*			trans	68.1	158.3	173.4	0	0	0	0	0	114.8
424	S	35.1	Very low	32.8	Very low	106 Å²	106	123 Å²	123	74%	0.741	79%	0.792	S	S	*	*			cis	-155.9	164	-9.4	33.6	0	0	0	0	110.9
425	S	34.2	Very low	33	Very low	121 Å²	121	124.9 Å²	124.9	85%	0.846	79%	0.792	S	S	*	*			trans	12.4	121.7	154.4	58.2	0	0	0	0	120.5
426	G	34.9	Very low	32.7	Very low	81 Å²	81	119.9 Å²	119.9	84%	0.835	79%	0.787	S	S	*	*			trans	-153.7	141.2	162	0	0	0	0	0	111.1
427	S	36.2	Very low	32.5	Very low	117 Å²	117	123.9 Å²	123.9	82%	0.818	79%	0.792	S	S	*	*			trans	-108.4	148.6	-171.1	-72.3	0	0	0	0	113.6
428	K	32.8	Very low	32.3	Very low	206 Å²	206	124.7 Å²	124.7	90%	0.896	79%	0.794	S	S	*	*			trans	33.9	115.5	152	-62	-180	177.9	-177.4	0	118.7
429	S	34.2	Very low	31.9	Very low	124 Å²	124	124.9 Å²	124.9	87%	0.867	80%	0.802	S	S	*	*				-172.4	141.2	121	-163.7	0	0	0	0	112.8
430	G	30.4	Very low	31.8	Very low	61 Å²	61	127 Å²	127	63%	0.629	81%	0.811	S	S	*	*				84.6	139.1	125.7	0	0	0	0	0	121.7
431	S	32	Very low	31.7	Very low	128 Å²	128	131.1 Å²	131.1	90%	0.895	82%	0.815	S	S	*	*			trans	68.1	160.7	155.6	64.1	0	0	0	0	120.8
432	V	27.6	Very low	31.7	Very low	116 Å²	116	133.8 Å²	133.8	70%	0.703	81%	0.813	S	S	*	*			trans	-133.5	139.4	-165.8	171.1	0	0	0	0	108.5
433	E	30.2	Very low	31.8	Very low	191 Å²	191	136.7 Å²	136.7	89%	0.893	81%	0.814	S	S	*	*			trans	-128.7	122.2	158	-74.1	-166.2	131.9	0	0	110
434	H	29.8	Very low	31.5	Very low	176 Å²	176	137.9 Å²	137.9	82%	0.815	81%	0.811	S	S	*	*			trans	-94.5	132.5	165.3	-85.9	-96.7	0	0	0	109
435	I	31.2	Very low	31.6	Very low	145 Å²	145	138.8 Å²	138.8	74%	0.744	81%	0.812	S	S	*	*			trans	-106.8	109.6	164.2	-59.7	178	0	0	0	107.5	F437	I435-F437 HydrophobicContact CG2-CD2 4.38Å; I435-F437 HydrophobicContact CG2-CE2 3.8Å; I435-F437 HydrophobicContact CG2-CZ 4.41Å
436	A	27.3	Very low	31.2	Very low	88 Å²	88	138.9 Å²	138.9	73%	0.727	81%	0.808	S	S	*	*			trans	-106.9	149.1	172.5	0	0	0	0	0	110
437	F	28.4	Very low	31.1	Very low	187 Å²	187	142.1 Å²	142.1	82%	0.82	81%	0.806	S	S	*	*			trans	-110.9	149.3	170.4	-79.5	-83.9	0	0	0	110.3	I435	I435-F437 HydrophobicContact CG2-CD2 4.38Å; I435-F437 HydrophobicContact CG2-CE2 3.8Å; I435-F437 HydrophobicContact CG2-CZ 4.41Å
438	P	31.1	Very low	30.9	Very low	117 Å²	117	145.3 Å²	145.3	76%	0.76	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-90.1	158.6	-152.3	34.7	-37.6	0	0	0	114.7
439	A	26.5	Very low	30.6	Very low	103 Å²	103	142.4 Å²	142.4	85%	0.851	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-102.2	132.8	163	0	0	0	0	0	110.2
440	T	34.2	Very low	30.6	Very low	145 Å²	145	142.3 Å²	142.3	89%	0.89	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-96.4	145.9	171.2	28.3	0	0	0	0	111.4
441	K	28.6	Very low	30.5	Very low	199 Å²	199	144.1 Å²	144.1	87%	0.865	80%	0.8	S	S	*	*			trans	-106.2	147.3	172.6	-60.2	172	178.8	176.6	0	109.1
442	E	35.7	Very low	30.5	Very low	188 Å²	188	144.2 Å²	144.2	88%	0.879	80%	0.801	S	S	*	*			trans	170.4	152.6	155	-99.6	159	-142.7	0	0	107
443	E	34.3	Very low	30.6	Very low	175 Å²	175	143.9 Å²	143.9	82%	0.818	80%	0.804	S	S	*	*			cis	-148.3	161.8	-37.2	-175	163.2	137.8	0	0	107.2
444	T	27.7	Very low	30.7	Very low	122 Å²	122	144 Å²	144	75%	0.748	80%	0.804	S	S	*	*			trans	-88.6	124.8	-178.1	-56.7	0	0	0	0	111.7
445	T	35.4	Very low	30.7	Very low	124 Å²	124	144.6 Å²	144.6	76%	0.761	81%	0.807	S	S	*	*			trans	-144.1	120.7	160.5	-60.4	0	0	0	0	110.9
446	T	26.3	Very low	30.8	Very low	123 Å²	123	144.4 Å²	144.4	76%	0.755	81%	0.813	S	S	*	*			trans	-96.6	138	172.7	40.6	0	0	0	0	110.4
447	L	33.2	Very low	30.9	Very low	150 Å²	150	149.3 Å²	149.3	79%	0.785	82%	0.818	S	S	*	*			trans	-161.7	99.4	160.6	-112.3	154.6	0	0	0	114
448	H	32.6	Very low	31	Very low	184 Å²	184	146.1 Å²	146.1	85%	0.852	82%	0.816	S	S	*	*			trans	61.2	148.3	145.5	-81.5	-103	0	0	0	123.9
449	L	27.1	Very low	30.8	Very low	145 Å²	145	147 Å²	147	76%	0.759	82%	0.823	S	S	*	*			trans	-87.7	165.9	179.4	-148.3	74.5	0	0	0	110.7
450	P	32.3	Very low	31.2	Very low	122 Å²	122	147.5 Å²	147.5	79%	0.792	82%	0.821	S	S	*	*				-136.4	140	102.1	36.4	-26.1	0	0	0	115.6
451	S	28.4	Very low	31.1	Very low	99 Å²	99	148 Å²	148	69%	0.692	82%	0.817	S	S	*	*			trans	-38.2	133.7	163.5	49	0	0	0	0	116.5
452	S	32.4	Very low	31.4	Very low	130 Å²	130	144.5 Å²	144.5	91%	0.909	82%	0.815	S	S	*	*			trans	-140.2	139.9	137.8	-173.3	0	0	0	0	108.3
453	S	29.3	Very low	31.3	Very low	109 Å²	109	144.5 Å²	144.5	76%	0.762	82%	0.815	S	S	*	*			trans	-135.4	124.9	-169.3	59.6	0	0	0	0	111.6
454	E	32.7	Very low	31.4	Very low	193 Å²	193	142.2 Å²	142.2	90%	0.902	82%	0.815	S	S	*	*			trans	-143.3	140.4	158	-133	175.2	150.5	0	0	111.1
455	Q	31.1	Very low	31.7	Very low	189 Å²	189	139.6 Å²	139.6	88%	0.883	81%	0.813	S	S	*	*			trans	-108.2	128	-177.4	-62.5	177.7	6.3	0	0	109.8
456	T	31.7	Very low	31.8	Very low	141 Å²	141	139.5 Å²	139.5	87%	0.865	81%	0.814	S	S	*	*			trans	-131.8	125.7	162.1	-34	0	0	0	0	111
457	K	30.6	Very low	31.9	Very low	190 Å²	190	142.1 Å²	142.1	83%	0.826	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-60.6	158.7	-161.8	-68.9	164.8	177.9	170.3	0	115.5
458	P	30.2	Very low	31.8	Very low	120 Å²	120	140.4 Å²	140.4	78%	0.779	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-67.2	143.2	165.1	31	-35.7	0	0	0	111.4
459	C	27.2	Very low	31.5	Very low	135 Å²	135	138.5 Å²	138.5	91%	0.912	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-76.8	127.3	170.6	-72.3	0	0	0	0	111.3
460	S	34	Very low	31.7	Very low	115 Å²	115	137.5 Å²	137.5	80%	0.804	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.9	157.7	-179.1	-52.2	0	0	0	0	113.1
461	L	32.3	Very low	31.8	Very low	156 Å²	156	137.7 Å²	137.7	82%	0.817	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-63.3	147.9	164	-79.8	76.5	0	0	0	110.4	Q463	L461-Q463 PolarHBondContact O-N 2.84Å
462	P	35	Very low	31.9	Very low	125 Å²	125	138.9 Å²	138.9	81%	0.812	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-62.8	128.5	163.2	-16.6	30.3	0	0	0	110.4
463	Q	34	Very low	31.8	Very low	187 Å²	187	136.5 Å²	136.5	87%	0.874	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75.3	139.5	165.7	-73	-176.5	-96.6	0	0	109.9	L461	L461-Q463 PolarHBondContact O-N 2.84Å
464	P	36.4	Very low	32.3	Very low	127 Å²	127	134.6 Å²	134.6	83%	0.825	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-73.4	137.1	173.2	30.2	-33.6	0	0	0	111.3
465	G	33.6	Very low	32.4	Very low	68 Å²	68	132.3 Å²	132.3	70%	0.701	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-70.1	161.2	167.2	0	0	0	0	0	112.5
466	P	37.1	Very low	32.7	Very low	122 Å²	122	127.8 Å²	127.8	79%	0.792	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-77.8	136.5	-170.5	30.2	-35	0	0	0	114.2
467	F	29.1	Very low	32.9	Very low	177 Å²	177	124.4 Å²	124.4	78%	0.776	76%	0.758	S	S	*	*			trans	30	130.9	144.5	-64.6	-77.1	0	0	0	120.1
468	P	31.4	Very low	33.1	Very low	114 Å²	114	119.6 Å²	119.6	74%	0.74	75%	0.753	S	S	*	*				-137.7	127.4	78.3	35.5	-21.4	0	0	0	117	T470	P468-T470 PolarHBondContact O-N 2.73Å
469	N	26.5	Very low	33.3	Very low	145 Å²	145	117.9 Å²	117.9	78%	0.775	74%	0.744	S	S	*	*			trans	23.2	81.7	144.1	-58.8	-14.3	0	0	0	118.8
470	T	31	Very low	33.7	Very low	124 Å²	124	116.4 Å²	116.4	76%	0.761	74%	0.742	S	S	*	*			trans	-142.6	143.4	155.2	22	0	0	0	0	110.3	P468 S472	P468-T470 PolarHBondContact O-N 2.73Å; T470-S472 PolarHBondContact O-N 2.89Å
471	P	32.7	Very low	33.7	Very low	126 Å²	126	117 Å²	117	82%	0.818	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-74.3	118	-176.3	29	-33.3	0	0	0	111.2	A473	P471-A473 PolarHBondContact O-N 2.7Å
472	S	32	Very low	33.8	Very low	124 Å²	124	117.4 Å²	117.4	87%	0.867	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-61.6	123.9	-174.1	-45.3	0	0	0	0	113.2	T470	T470-S472 PolarHBondContact O-N 2.89Å
473	A	30.5	Very low	33.7	Very low	80 Å²	80	116.2 Å²	116.2	66%	0.661	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-66.7	154.5	170.4	0	0	0	0	0	111.7	P471	P471-A473 PolarHBondContact O-N 2.7Å
474	P	39	Very low	33.4	Very low	68 Å²	68	117.3 Å²	117.3	44%	0.442	74%	0.741	S	S	.	*	P	Polyproline II helix	trans	-64.5	142.8	175.8	27.3	-34.5	0	0	0	111.7	L180 V476	L180-P474 HydrophobicContact CB-CG 4.09Å; L180-P474 HydrophobicContact CD2-CG 4.33Å; P474-V476 PolarHBondContact O-N 3.18Å
475	V	35.7	Very low	33.4	Very low	146 Å²	146	120.5 Å²	120.5	89%	0.885	75%	0.745	S	S	*	*			trans	-67.3	113.7	-177.7	179.1	0	0	0	0	110.7
476	V	36	Very low	33.2	Very low	94 Å²	94	125.4 Å²	125.4	57%	0.57	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-83.6	133.2	174.4	-176.4	0	0	0	0	109.5	F181 P474 A478	F181-V476 HydrophobicContact CE1-CG2 3.66Å; F181-V476 HydrophobicContact CZ-CG2 3.64Å; P474-V476 PolarHBondContact O-N 3.18Å; V476-A478 PolarHBondContact O-N 2.82Å
477	C	35.9	Very low	33	Very low	70 Å²	70	129.7 Å²	129.7	47%	0.473	76%	0.756	S	S	.	*	P	Polyproline II helix	trans	-72.3	126.5	171.5	-67.6	0	0	0	0	109.9	S479	C477-S479 PolarHBondContact O-N 2.93Å
478	A	34.8	Very low	33.2	Very low	89 Å²	89	127.2 Å²	127.2	74%	0.736	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-60.1	127.6	177.9	0	0	0	0	0	111.3	V476	V476-A478 PolarHBondContact O-N 2.82Å
479	S	35.2	Very low	33.3	Very low	84 Å²	84	128.3 Å²	128.3	59%	0.587	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-87.8	123.8	174.1	-173.2	0	0	0	0	109.7	C477 N481	C477-S479 PolarHBondContact O-N 2.93Å; S479-N481 PolarHBondContact O-N 2.86Å
480	A	35.1	Very low	33.4	Very low	104 Å²	104	127 Å²	127	86%	0.86	75%	0.748	S	S	*	*			trans	-93.1	72	-173.4	0	0	0	0	0	111.4
481	N	35.1	Very low	33.5	Very low	127 Å²	127	128 Å²	128	68%	0.679	75%	0.754	S	S	*	*			trans	-120.2	136.4	169.4	-75.8	-35.7	0	0	0	109.6	S479	S479-N481 PolarHBondContact O-N 2.86Å
482	N	34	Very low	33.3	Very low	165 Å²	165	131.4 Å²	131.4	88%	0.882	76%	0.756	S	S	*	*	S	Bend	trans	72.7	82.9	175.3	-48.1	-36.9	0	0	0	117.6
483	A	31.8	Very low	33.3	Very low	99 Å²	99	130.6 Å²	130.6	82%	0.818	75%	0.751	S	S	*	*				-167.8	141.1	129.8	0	0	0	0	0	110.5
484	K	29.5	Very low	33.3	Very low	211 Å²	211	132.3 Å²	132.3	92%	0.917	76%	0.755	S	S	*	*			trans	-94.2	106.7	154.9	-84	-173.1	176.4	-176.4	0	106.7
485	E	36	Very low	33.1	Very low	193 Å²	193	138 Å²	138	90%	0.902	77%	0.773	S	S	*	*			trans	-155	154.3	158.5	-125.5	158.6	-135.7	0	0	110.7
486	Q	28.5	Very low	33.1	Very low	172 Å²	172	137 Å²	137	80%	0.804	77%	0.769	S	S	*	*			trans	-105.1	118.6	-165.9	174.2	-179.6	-13.6	0	0	109.3
487	F	34.2	Very low	33.1	Very low	212 Å²	212	139.6 Å²	139.6	93%	0.93	78%	0.779	S	S	*	*			trans	-139.9	140.5	171	-115.7	-85.2	0	0	0	111.4
488	D	33	Very low	33.1	Very low	125 Å²	125	141.8 Å²	141.8	67%	0.668	79%	0.792	S	S	*	*			trans	-97.2	162.2	-163.7	-135.9	-48.7	0	0	0	113.6
489	N	33.3	Very low	32.9	Very low	137 Å²	137	146.1 Å²	146.1	73%	0.733	80%	0.797	S	S	*	*			trans	-22.1	134.3	-178.4	-72.4	-68.2	0	0	0	119.6
490	T	28.4	Very low	32.6	Very low	118 Å²	118	152 Å²	152	72%	0.724	81%	0.807	S	S	*	*				154.8	86	106.9	-55.8	0	0	0	0	112.8
491	V	32.9	Very low	32.4	Very low	144 Å²	144	151.8 Å²	151.8	87%	0.873	80%	0.798	S	S	*	*			trans	-142.7	132.7	161.2	-176.7	0	0	0	0	110
492	F	29.4	Very low	32	Very low	197 Å²	197	151.4 Å²	151.4	86%	0.864	81%	0.805	S	S	*	*			trans	-72.7	138.6	-172.3	-68.9	-101.8	0	0	0	114.2
493	S	31.2	Very low	31.7	Very low	108 Å²	108	154.3 Å²	154.3	76%	0.755	80%	0.804	S	S	*	*			trans	-125.4	110.9	169.7	55.4	0	0	0	0	111.8	F495	S493-F495 PolarHBondContact O-N 2.89Å
494	P	30.7	Very low	31.6	Very low	115 Å²	115	154.4 Å²	154.4	75%	0.747	80%	0.798	S	S	*	*			trans	-94.7	71.1	-176.3	36.2	-34.8	0	0	0	112.7
495	F	34.3	Very low	31.8	Very low	188 Å²	188	150.9 Å²	150.9	83%	0.825	79%	0.794	S	S	*	*			trans	-145	127.3	164.6	-78.6	-72.9	0	0	0	110.8	S493	S493-F495 PolarHBondContact O-N 2.89Å
496	P	35.6	Very low	31.5	Very low	124 Å²	124	148.9 Å²	148.9	81%	0.805	79%	0.785	S	S	*	*			trans	-75.9	127.8	-178	30.1	-33.8	0	0	0	111.7
497	I	36.9	Very low	31.7	Very low	150 Å²	150	144.9 Å²	144.9	77%	0.769	78%	0.776	S	S	*	*			trans	-88.8	127.6	168.1	-59.3	174.8	0	0	0	107.8	E499	I497-E499 VanDerWaalsContact C-N 3.28Å; I497-E499 PolarHBondContact O-N 3.14Å
498	P	34.5	Very low	31.6	Very low	116 Å²	116	142.2 Å²	142.2	75%	0.753	77%	0.771	S	S	*	*			trans	-72.6	82.1	171.3	-16.6	31.9	0	0	0	110.8	Y500	P498-Y500 PolarHBondContact O-N 2.03Å; P498-Y500 VanDerWaalsContact O-N 3.11Å
499	E	32.5	Very low	31.4	Very low	180 Å²	180	144.2 Å²	144.2	84%	0.841	78%	0.776	S	S	*	*			trans	-72.5	101.1	178.9	-167	166.5	-124.8	0	0	110.2	I497 P501	I497-E499 VanDerWaalsContact C-N 3.28Å; I497-E499 PolarHBondContact O-N 3.14Å; E499-P501 WeakPolarHBondContact O-CD 3.41Å
500	Y	27.4	Very low	31.4	Very low	206 Å²	206	144.8 Å²	144.8	81%	0.808	78%	0.778	S	S	*	*			trans	-76.2	121.8	-177.9	-115.4	-92	0	0	0	110.6	P498 S502	P498-Y500 PolarHBondContact O-N 2.03Å; P498-Y500 VanDerWaalsContact O-N 3.11Å; Y500-S502 PolarHBondContact O-N 3.26Å
501	P	31.3	Very low	31.6	Very low	101 Å²	101	144.9 Å²	144.9	66%	0.656	78%	0.781	S	S	*	*			trans	-74.7	102.7	-174.1	28.6	-34.5	0	0	0	111.5	E499 R503	E499-P501 WeakPolarHBondContact O-CD 3.41Å; P501-R503 PolarHBondContact O-N 2.82Å
502	S	26.2	Very low	31.4	Very low	119 Å²	119	145.7 Å²	145.7	83%	0.832	78%	0.78	S	S	*	*			trans	-67.8	64.9	170.3	-64.3	0	0	0	0	112.1	Y500 S504	Y500-S502 PolarHBondContact O-N 3.26Å; S502-S504 VanDerWaalsContact C-N 3.34Å; S502-S504 PolarHBondContact O-N 2.95Å
503	R	28.6	Very low	31.4	Very low	226 Å²	226	143.4 Å²	143.4	85%	0.853	78%	0.775	S	S	*	*			trans	-77.6	83.3	174.2	-76.2	-169.3	174.4	-166.1	-1.3	111	P501 V505	P501-R503 PolarHBondContact O-N 2.82Å; R503-V505 PolarHBondContact O-N 3.48Å
504	S	29.7	Very low	31.4	Very low	100 Å²	100	143.2 Å²	143.2	70%	0.699	77%	0.771	S	S	*	*			trans	-56	121.6	151.5	43.7	0	0	0	0	109.1	S502 E506	S502-S504 VanDerWaalsContact C-N 3.34Å; S502-S504 PolarHBondContact O-N 2.95Å; S504-E506 VanDerWaalsContact C-N 3.3Å; S504-E506 PolarHBondContact O-N 2.86Å
505	V	32.5	Very low	31.2	Very low	138 Å²	138	143.3 Å²	143.3	84%	0.836	77%	0.772	S	S	*	*			trans	-77.8	91.5	165.3	178.7	0	0	0	0	106.6	R503	R503-V505 PolarHBondContact O-N 3.48Å
506	E	29.7	Very low	30.9	Very low	150 Å²	150	146 Å²	146	70%	0.701	78%	0.776	S	S	*	*			trans	-82.6	116.7	175.1	-174.4	164.1	-159.5	0	0	109.1	S504 H509	S504-E506 VanDerWaalsContact C-N 3.3Å; S504-E506 PolarHBondContact O-N 2.86Å; E506-H509 IonicContact OE1-CE1 2.76Å
507	S	33	Very low	30.5	Very low	88 Å²	88	147.4 Å²	147.4	62%	0.615	78%	0.776	S	S	*	*			trans	-146.8	125.3	172	57.3	0	0	0	0	111.1
508	N	32.3	Very low	30.1	Very low	156 Å²	156	148.9 Å²	148.9	83%	0.834	78%	0.782	S	S	*	*			trans	68	102	173.6	-54.3	-19.9	0	0	0	115.9	L510	N508-L510 PolarHBondContact O-N 3.28Å
509	H	29	Very low	30	Very low	167 Å²	167	154.3 Å²	154.3	77%	0.773	79%	0.787	S	S	*	*			trans	-64.7	115.8	174.1	-54	-70	0	0	0	112	E506	E506-H509 IonicContact OE1-CE1 2.76Å
510	L	33.4	Very low	30.1	Very low	149 Å²	149	151.5 Å²	151.5	78%	0.78	77%	0.77	S	S	*	*			trans	-140.4	132.9	158.2	-141.1	74.8	0	0	0	107.6	N508 L512	N508-L510 PolarHBondContact O-N 3.28Å; L510-L512 PolarHBondContact O-N 3.07Å
511	P	33.7	Very low	30.4	Very low	120 Å²	120	146.1 Å²	146.1	78%	0.779	76%	0.755	S	S	*	*			trans	-70.1	93.7	-178.3	27.5	-34.3	0	0	0	110.7	I513	P511-I513 PolarHBondContact O-N 3.2Å
512	L	28.3	Very low	30.9	Very low	162 Å²	162	145.7 Å²	145.7	85%	0.848	75%	0.747	S	S	*	*			trans	-64.6	95	174.8	-80.4	167.1	0	0	0	110.2	L510 P514	L510-L512 PolarHBondContact O-N 3.07Å; L512-P514 WeakPolarHBondContact O-CD 3.34Å
513	I	29.7	Very low	31.4	Very low	149 Å²	149	145.1 Å²	145.1	76%	0.764	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-58.5	118.1	170.6	-58.9	175.2	0	0	0	107.6	P511	P511-I513 PolarHBondContact O-N 3.2Å
514	P	29.7	Very low	31.9	Very low	104 Å²	104	138 Å²	138	68%	0.675	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-64	130.8	179	25.4	-33	0	0	0	109.1	L512 R516	L512-P514 WeakPolarHBondContact O-CD 3.34Å; P514-R516 PolarHBondContact O-N 2.87Å
515	P	26.8	Very low	32.1	Very low	117 Å²	117	139.9 Å²	139.9	76%	0.76	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-59.4	125.9	-179.7	23.9	-33.1	0	0	0	109.3	L517	P515-L517 PolarHBondContact O-N 2.77Å
516	R	27.5	Very low	32.1	Very low	244 Å²	244	136.6 Å²	136.6	92%	0.921	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-58	117.5	-179.1	-74.2	-176.5	174.6	-178.2	-0.9	109	P514 M518	P514-R516 PolarHBondContact O-N 2.87Å; R516-M518 PolarHBondContact O-N 2.88Å
517	L	28.7	Very low	32.3	Very low	154 Å²	154	134.6 Å²	134.6	81%	0.806	71%	0.705	S	S	*	*			trans	-53	113.5	175.5	-73.2	165.9	0	0	0	109.7	P515 R519	P515-L517 PolarHBondContact O-N 2.77Å; L517-R519 PolarHBondContact O-N 2.99Å
518	M	28.3	Very low	32.5	Very low	180 Å²	180	134.7 Å²	134.7	89%	0.887	70%	0.702	S	S	*	*			trans	-64.2	102.4	162.4	-68.6	-169	81.4	0	0	107.2	R516 Y520	R516-M518 PolarHBondContact O-N 2.88Å; M518-Y520 PolarHBondContact O-N 2.87Å
519	R	32.9	Very low	32.6	Very low	230 Å²	230	131 Å²	131	87%	0.868	68%	0.682	S	S	*	*			trans	-62.5	128.4	166.9	-67.2	178.6	177.6	164	-1.3	107.1	L517 D521	L517-R519 PolarHBondContact O-N 2.99Å; R519-D521 PolarHBondContact O-N 3.44Å; R519-D521 VanDerWaalsContact O-N 3.13Å
520	Y	33.8	Very low	32.8	Very low	121 Å²	121	125.1 Å²	125.1	48%	0.475	66%	0.655	S	S	.	*			trans	-61.4	115.9	168.1	-73.3	-82.8	0	0	0	108.3	M518 L522	M518-Y520 PolarHBondContact O-N 2.87Å; Y520-L522 PolarHBondContact O-N 3.29Å
521	D	33.7	Very low	33.2	Very low	93 Å²	93	119.5 Å²	119.5	50%	0.497	62%	0.624	S	S	.	*			trans	-71.3	108.2	171.3	174.8	34.3	0	0	0	109	R519 S523 S524	R519-D521 PolarHBondContact O-N 3.44Å; R519-D521 VanDerWaalsContact O-N 3.13Å; D521-S523 VanDerWaalsContact CG-OG 3.29Å; D521-S523 VanDerWaalsContact OD1-CB 3.24Å; D521-S523 WeakPolarHBondContact OD1-CB 3.45Å; D521-S523 PolarHBondContact OD1-N 3.14Å; D521-S523 PolarHBondContact OD1-OG 2.9Å; D521-S523 PolarHBondContact OD2-OG 3.14Å; D521-S524 PolarHBondContact OD2-OG 2.84Å
522	L	41.4	Very low	33.3	Very low	92 Å²	92	115.1 Å²	115.1	48%	0.482	59%	0.593	S	S	.	*			trans	-93.8	2.4	176.1	-63.7	175.7	0	0	0	112.3	Y520 S524	Y520-L522 PolarHBondContact O-N 3.29Å; L522-S524 VanDerWaalsContact C-N 3.32Å
523	S	37.6	Very low	33.9	Very low	107 Å²	107	107.4 Å²	107.4	75%	0.748	55%	0.553	S	S	*	*	S	Bend	trans	-79.5	-12.7	-176.7	71.9	0	0	0	0	114.3	D521	D521-S523 VanDerWaalsContact CG-OG 3.29Å; D521-S523 VanDerWaalsContact OD1-CB 3.24Å; D521-S523 WeakPolarHBondContact OD1-CB 3.45Å; D521-S523 PolarHBondContact OD1-N 3.14Å; D521-S523 PolarHBondContact OD1-OG 2.9Å; D521-S523 PolarHBondContact OD2-OG 3.14Å
524	S	38.9	Very low	34	Very low	78 Å²	78	100.9 Å²	100.9	55%	0.545	52%	0.52	S	S	.	.	S	Bend	trans	-126.5	0.6	-166	57.4	0	0	0	0	115.7	D521 L522	D521-S524 PolarHBondContact OD2-OG 2.84Å; L522-S524 VanDerWaalsContact C-N 3.32Å
525	K	34	Very low	34.4	Very low	138 Å²	138	96 Å²	96	60%	0.6	49%	0.488	S	S	*	.	S	Bend	trans	-141.8	148.7	-175.7	-61.6	-169.1	-179.6	-172.3	0	113.9
526	S	31.8	Very low	34.9	Very low	70 Å²	70	90.7 Å²	90.7	49%	0.49	45%	0.453	S	S	.	.			trans	-73.3	157.2	-178.1	40.8	0	0	0	0	113.5	T528 D529	S526-T528 WeakPolarHBondContact CB-OG1 3.38Å; S526-T528 PolarHBondContact O-N 3.23Å; S526-T528 VanDerWaalsContact O-N 3.09Å; S526-T528 PolarHBondContact OG-OG1 3.33Å; S526-D529 PolarHBondContact O-N 3.3Å
527	V	33.9	Very low	35.1	Very low	107 Å²	107	80.4 Å²	80.4	65%	0.648	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-59.2	-22.9	-180	-179.6	0	0	0	0	112.4	D529 H530	V527-D529 PolarHBondContact O-N 3.17Å; V527-D529 VanDerWaalsContact O-N 3.13Å; V527-H530 PolarHBondContact O-N 3.04Å
528	T	36.7	Very low	35.2	Very low	90 Å²	90	75.1 Å²	75.1	55%	0.552	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-50	-31.6	176.1	45.8	0	0	0	0	115.6	S526 H530	S526-T528 WeakPolarHBondContact CB-OG1 3.38Å; S526-T528 PolarHBondContact O-N 3.23Å; S526-T528 VanDerWaalsContact O-N 3.09Å; S526-T528 PolarHBondContact OG-OG1 3.33Å; T528-H530 VanDerWaalsContact C-N 3.31Å; T528-H530 PolarHBondContact O-N 3.21Å
529	D	35.3	Very low	35.5	Very low	80 Å²	80	69.2 Å²	69.2	43%	0.428	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-87.6	-2.8	-165.3	-61.8	14	0	0	0	112.9	S526 V527	S526-D529 PolarHBondContact O-N 3.3Å; V527-D529 PolarHBondContact O-N 3.17Å; V527-D529 VanDerWaalsContact O-N 3.13Å
530	H	32.1	Very low	35.4	Very low	43 Å²	43	60.2 Å²	60.2	20%	0.199	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.5	-166.9	-62.3	84.9	0	0	0	111.1	V527 T528 I992	V527-H530 PolarHBondContact O-N 3.04Å; T528-H530 VanDerWaalsContact C-N 3.31Å; T528-H530 PolarHBondContact O-N 3.21Å; H530-I992 HydrophobicContact CB-CG2 3.96Å
531	E	42.9	Very low	35.2	Very low	30 Å²	30	59.4 Å²	59.4	14%	0.14	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	149.8	171.6	-88	176.7	-157.6	0	0	111.8	Y967 I992 G993 K995 G996	E531-Y967 HydrophobicContact CB-CE1 4.4Å; E531-Y967 PolarHBondContact OE2-OH 2.94Å; E531-I992 WeakPolarHBondContact O-CA 3.49Å; E531-G993 PolarHBondContact N-O 2.94Å; E531-G993 PolarHBondContact O-N 3.15Å; E531-K995 HydrophobicContact CG-CB 4.1Å; E531-K995 HydrophobicContact CG-CG 4.09Å; E531-K995 VanDerWaalsContact OE1-CA 3.29Å; E531-K995 WeakPolarHBondContact OE1-CA 3.36Å; E531-G996 PolarHBondContact OE1-N 3.2Å
532	H	35.3	Very low	35	Very low	28 Å²	28	59.5 Å²	59.5	13%	0.13	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.4	171.6	-68.6	-2.1	0	0	0	109.5	R978 T1028 E1029	H532-R978 PolarHBondContact CE1-NH1 3.37Å; H532-R978 PolarHBondContact NE2-NH1 2.98Å; H532-T1028 WeakPolarHBondContact O-CA 3.45Å; H532-E1029 PolarHBondContact O-N 2.99Å; H532-E1029 VanDerWaalsContact O-N 3.16Å
533	V	41.3	Very low	34.5	Very low	1 Å²	1	61 Å²	61	1%	0.006	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.8	-174.5	166.2	0	0	0	0	109.9	V535 Y967 C990 G991 L1010 T1026 F1027 T1028	V533-V535 HydrophobicContact CG1-CG2 4.06Å; V533-Y967 HydrophobicContact CB-CD1 4.2Å; V533-Y967 HydrophobicContact CB-CE1 4.04Å; V533-Y967 HydrophobicContact CG2-CD1 4.08Å; V533-Y967 HydrophobicContact CG2-CE1 3.42Å; V533-Y967 VanDerWaalsContact CG2-CE1 3.42Å; V533-C990 CarbonylContact O-C 3.53Å; V533-C990 WeakPolarHBondContact O-CA 3.49Å; V533-C990 VanDerWaalsContact O-CB 3.27Å; V533-C990 WeakPolarHBondContact O-CB 3.28Å; V533-G991 PolarHBondContact N-O 3.48Å; V533-G991 PolarHBondContact O-N 3.02Å; V533-L1010 HydrophobicContact CG1-CD2 4.16Å; V533-L1010 HydrophobicContact CG2-CD2 3.8Å; V533-T1026 HydrophobicContact CG1-CG2 3.43Å; V533-T1026 VanDerWaalsContact CG1-CG2 3.43Å; V533-F1027 CarbonylContact C-O 3.59Å; V533-F1027 VanDerWaalsContact CA-O 3.31Å; V533-F1027 WeakPolarHBondContact CA-O 3.36Å; V533-T1028 HydrophobicContact CG2-CG2 3.52Å
534	M	30.7	Very low	34.1	Very low	11 Å²	11	59 Å²	59	5%	0.054	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	150.2	164.2	-68.1	178.6	179.3	0	0	110.4	L979 T982 M988 Y989 T1026 F1027	M534-L979 HydrophobicContact CE-CD1 3.93Å; M534-L979 HydrophobicContact CE-CD2 4.35Å; M534-L979 HydrophobicContact CG-CD1 4.02Å; M534-T982 WeakPolarHBondContact CE-OG1 3.35Å; M534-M988 HydrophobicContact CE-CE 4.27Å; M534-M988 HydrophobicContact CE-SD 4.21Å; M534-M988 HydrophobicContact CG-SD 4.27Å; M534-M988 HydrophobicContact SD-CE 3.44Å; M534-M988 WeakPolarHBondContact SD-CE 3.22Å; M534-M988 HydrophobicContact SD-SD 3.63Å; M534-M988 VanDerWaalsContact SD-SD 3.63Å; M534-Y989 CarbonylContact C-O 3.51Å; M534-Y989 WeakPolarHBondContact CA-O 3.37Å; M534-T1026 CarbonylContact O-C 3.55Å; M534-T1026 WeakPolarHBondContact O-CA 3.07Å; M534-T1026 WeakPolarHBondContact O-CG2 3.3Å; M534-F1027 HydrophobicContact CB-CB 4.49Å; M534-F1027 PolarHBondContact N-O 2.82Å; M534-F1027 PolarHBondContact O-N 2.94Å
535	V	37.9	Very low	33.5	Very low	2 Å²	2	61.3 Å²	61.3	1%	0.012	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	112.1	-164.8	-175.6	0	0	0	0	110.6	V533 L969 M988 Y989 V1013 F1024 V1025 T1026	V533-V535 HydrophobicContact CG1-CG2 4.06Å; V535-L969 HydrophobicContact CG2-CD2 4.13Å; V535-M988 CarbonylContact O-C 3.58Å; V535-M988 VanDerWaalsContact O-CA 3.27Å; V535-M988 WeakPolarHBondContact O-CA 3.21Å; V535-Y989 HydrophobicContact CB-CD2 4.22Å; V535-Y989 HydrophobicContact CG1-CD2 4Å; V535-Y989 PolarHBondContact N-O 3.39Å; V535-Y989 WeakPolarHBondContact O-CD2 3.48Å; V535-Y989 PolarHBondContact O-N 3Å; V535-V1013 HydrophobicContact CG1-CB 4.19Å; V535-V1013 HydrophobicContact CG1-CG1 4.28Å; V535-F1024 HydrophobicContact CG1-CB 3.26Å; V535-F1024 HydrophobicContact CG1-CD2 3.81Å; V535-F1024 HydrophobicContact CG1-CG 3.61Å; V535-V1025 CarbonylContact C-O 3.45Å; V535-T1026 HydrophobicContact CB-CG2 4.06Å; V535-T1026 HydrophobicContact CG1-CG2 4.07Å; V535-T1026 HydrophobicContact CG2-CG2 3.76Å
536	H	38.7	Very low	33.2	Very low	5 Å²	5	61.1 Å²	61.1	2%	0.023	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.2	-166.3	-71.8	-73.6	0	0	0	115.7	F906 L987 M988 F1024 V1025 F1027	H536-F906 HydrophobicContact CB-CE2 4.18Å; H536-F906 HydrophobicContact CB-CZ 4.06Å; H536-F906 AromaticContact CE1-CD2 3.98Å; H536-F906 AromaticContact CE1-CE2 3.54Å; H536-F906 AromaticContact CG-CE2 3.65Å; H536-F906 AromaticContact ND1-CD2 3.99Å; H536-F906 AromaticContact ND1-CE2 3.19Å; H536-F906 WeakPolarHBondContact ND1-CE2 3.23Å; H536-F906 AromaticContact ND1-CZ 3.68Å; H536-L987 WeakPolarHBondContact CA-O 3.02Å; H536-L987 PolarHBondContact ND1-O 2.96Å; H536-M988 WeakPolarHBondContact CE1-CG 3.32Å; H536-F1024 VanDerWaalsContact O-CA 3.28Å; H536-F1024 WeakPolarHBondContact O-CA 3.24Å; H536-F1024 WeakPolarHBondContact O-CB 3.38Å; H536-F1024 WeakPolarHBondContact O-CD1 3.14Å; H536-V1025 WeakPolarHBondContact CB-O 3.2Å; H536-V1025 PolarHBondContact N-O 3Å; H536-V1025 PolarHBondContact O-N 3.09Å; H536-F1027 AromaticContact CD2-CD2 3.65Å; H536-F1027 AromaticContact CD2-CE2 3.42Å; H536-F1027 VanDerWaalsContact CD2-CE2 3.42Å; H536-F1027 WeakPolarHBondContact CD2-CE2 3.42Å; H536-F1027 AromaticContact NE2-CD2 3.31Å; H536-F1027 VanDerWaalsContact NE2-CD2 3.31Å; H536-F1027 WeakPolarHBondContact NE2-CD2 3.27Å; H536-F1027 AromaticContact NE2-CE2 3.21Å; H536-F1027 WeakPolarHBondContact NE2-CE2 3.49Å
537	T	30.6	Very low	32.8	Very low	28 Å²	28	61.8 Å²	61.8	17%	0.172	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-72.9	138.4	174.8	46.7	0	0	0	0	113.1	M918 Y989 F1024	T537-M918 VanDerWaalsContact O-CE 3.22Å; T537-M918 WeakPolarHBondContact O-CE 3.48Å; T537-Y989 HydrophobicContact CG2-CE2 3.54Å; T537-Y989 WeakPolarHBondContact CG2-OH 3.2Å; T537-F1024 HydrophobicContact CG2-CD1 4.5Å; T537-F1024 HydrophobicContact CG2-CE1 4.24Å
538	F	31	Very low	32.5	Very low	44 Å²	44	61.6 Å²	61.6	19%	0.193	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-99.6	127.3	173.1	-178.8	-84.5	0	0	0	111.3	G540 I860 M918 V920 L938	F538-G540 WeakPolarHBondContact CE1-O 3.43Å; F538-G540 WeakPolarHBondContact CZ-O 3.34Å; F538-I860 HydrophobicContact CE2-CD1 4.29Å; F538-M918 HydrophobicContact CD2-SD 3.38Å; F538-M918 WeakPolarHBondContact CD2-SD 3.46Å; F538-M918 HydrophobicContact CE2-SD 3.84Å; F538-M918 HydrophobicContact CG-SD 4.19Å; F538-V920 HydrophobicContact CE2-CG2 4.41Å; F538-L938 HydrophobicContact CB-CD2 4.34Å; F538-L938 HydrophobicContact CD1-CD1 3.71Å; F538-L938 HydrophobicContact CD1-CD2 4.1Å; F538-L938 HydrophobicContact CD1-CG 4.44Å; F538-L938 HydrophobicContact CE1-CD1 3.48Å; F538-L938 VanDerWaalsContact CE1-CD1 3.48Å; F538-L938 HydrophobicContact CG-CD1 4.4Å; F538-L938 HydrophobicContact CG-CD2 4.12Å; F538-L938 HydrophobicContact CZ-CD1 4.01Å
539	T	34.3	Very low	31.8	Very low	56 Å²	56	63.8 Å²	63.8	34%	0.344	44%	0.438	S	S	.	.			trans	-143.4	85.7	173.4	53.9	0	0	0	0	109.8	M99 V941	M99-T539 HydrophobicContact CE-CG2 4.15Å; M99-T539 HydrophobicContact CG-CG2 4.25Å; M99-T539 HydrophobicContact SD-CG2 3.88Å; T539-V941 HydrophobicContact CG2-CG1 4.49Å
540	G	30.9	Very low	31.4	Very low	41 Å²	41	66.9 Å²	66.9	42%	0.423	46%	0.459	S	S	.	.			trans	-154.4	129.4	177.4	0	0	0	0	0	112.2	F538	F538-G540 WeakPolarHBondContact CE1-O 3.43Å; F538-G540 WeakPolarHBondContact CZ-O 3.34Å
541	T	29.6	Very low	31.2	Very low	104 Å²	104	70.2 Å²	70.2	64%	0.638	49%	0.487	S	S	*	.			trans	-88.1	134.1	178	44.6	0	0	0	0	111.4	S543	T541-S543 PolarHBondContact O-N 3.1Å
542	P	30.6	Very low	30.4	Very low	94 Å²	94	77.8 Å²	77.8	61%	0.61	52%	0.523	S	S	*	.			trans	-73.3	105.3	170	29.8	-32	0	0	0	109.9	G544	P542-G544 PolarHBondContact O-N 3.12Å
543	S	29.5	Very low	30.1	Very low	124 Å²	124	85.6 Å²	85.6	87%	0.867	56%	0.559	S	S	*	*			trans	-77.9	106.9	175.5	43.5	0	0	0	0	111.1	T541	T541-S543 PolarHBondContact O-N 3.1Å
544	G	29.1	Very low	29.4	Very low	66 Å²	66	90.5 Å²	90.5	68%	0.68	60%	0.6	S	S	*	*			trans	-154.6	119.7	175.3	0	0	0	0	0	110.8	P542	P542-G544 PolarHBondContact O-N 3.12Å
545	P	28.1	Very low	29.3	Very low	126 Å²	126	93.1 Å²	93.1	82%	0.818	63%	0.63	S	S	*	*			trans	-87.3	133	-177.1	33.2	-32.8	0	0	0	111.9
546	C	27.1	Very low	28.9	Very low	134 Å²	134	102.2 Å²	102.2	91%	0.905	67%	0.669	S	S	*	*			trans	-164	120.7	151	-99.2	0	0	0	0	109.2
547	G	22.5	Very low	28.6	Very low	84 Å²	84	107.7 Å²	107.7	87%	0.866	70%	0.699	S	S	*	*			trans	-98.7	133.6	162.4	0	0	0	0	0	109
548	A	28	Very low	28.5	Very low	102 Å²	102	116.6 Å²	116.6	84%	0.843	73%	0.729	S	S	*	*			trans	-146.7	117.9	170.7	0	0	0	0	0	109.5
549	T	22.1	Very low	28.5	Very low	137 Å²	137	121.5 Å²	121.5	84%	0.84	76%	0.757	S	S	*	*			trans	-80.1	146.6	165.6	46.1	0	0	0	0	110.3
550	V	26.7	Very low	28.2	Very low	144 Å²	144	123.9 Å²	123.9	87%	0.873	78%	0.776	S	S	*	*			trans	-168.2	156.3	138.9	136	0	0	0	0	109.7
551	S	28.5	Very low	28.3	Very low	114 Å²	114	131 Å²	131	80%	0.797	80%	0.798	S	S	*	*			trans	-71.1	170.8	-161.1	-45.4	0	0	0	0	118
552	E	25.1	Very low	28.2	Very low	188 Å²	188	130.2 Å²	130.2	88%	0.879	80%	0.802	S	S	*	*			trans	-83	148.8	166.4	-56.6	168.4	96.1	0	0	112.7
553	E	29.2	Very low	28.6	Very low	192 Å²	192	131 Å²	131	90%	0.897	81%	0.807	S	S	*	*			trans	-139.1	117.8	140.7	-70.5	-165.8	141.8	0	0	106
554	A	26.7	Very low	28.7	Very low	104 Å²	104	132 Å²	132	86%	0.86	80%	0.802	S	S	*	*				85.1	114.4	61.6	0	0	0	0	0	113.5
555	G	29.5	Very low	29	Very low	66 Å²	66	136.2 Å²	136.2	68%	0.68	81%	0.809	S	S	*	*			trans	169.6	101.3	173.8	0	0	0	0	0	117.7
556	F	29.6	Very low	29.1	Very low	193 Å²	193	136.1 Å²	136.1	85%	0.846	80%	0.802	S	S	*	*			trans	63.5	122	160.7	-65.2	-97.8	0	0	0	118.9
557	N	31.7	Very low	29.4	Very low	121 Å²	121	140 Å²	140	65%	0.647	80%	0.804	S	S	*	*				75.2	137.2	55	-70.3	-44	0	0	0	113.5
558	R	28.4	Very low	29.9	Very low	214 Å²	214	143.8 Å²	143.8	81%	0.808	80%	0.804	S	S	*	*			cis	-167.2	-178.2	-8	-125	178.2	-168.8	-147.9	2.8	110
559	L	30.8	Very low	30.1	Very low	147 Å²	147	142.1 Å²	142.1	77%	0.77	80%	0.797	S	S	*	*			trans	71.5	121.1	173.3	-56.3	114.4	0	0	0	114.7
560	S	28.4	Very low	30.6	Very low	106 Å²	106	141 Å²	141	74%	0.741	80%	0.795	S	S	*	*			cis	86	112.2	19.4	-43.9	0	0	0	0	116
561	H	32.5	Very low	31	Very low	192 Å²	192	139.3 Å²	139.3	89%	0.889	79%	0.789	S	S	*	*			trans	-166.6	141.4	138.4	-99.2	-68.7	0	0	0	111
562	A	29.2	Very low	31.2	Very low	87 Å²	87	138.4 Å²	138.4	72%	0.719	78%	0.783	S	S	*	*			trans	-136.2	170.7	166.3	0	0	0	0	0	107.3
563	P	37.3	Very low	31.5	Very low	111 Å²	111	137.2 Å²	137.2	72%	0.721	78%	0.782	S	S	*	*				-156.3	171.1	83.7	41.3	-21.6	0	0	0	117.9
564	N	31.4	Very low	31.6	Very low	143 Å²	143	133 Å²	133	77%	0.765	77%	0.774	S	S	*	*			trans	40.8	136.9	142.5	-56.6	0.7	0	0	0	123.4
565	D	35.7	Very low	31.8	Very low	155 Å²	155	135.7 Å²	135.7	83%	0.829	77%	0.768	S	S	*	*				-149.3	169.9	110.1	-134.8	-29.8	0	0	0	112.8
566	N	31.6	Very low	31.9	Very low	125 Å²	125	139.5 Å²	139.5	67%	0.668	77%	0.771	S	S	*	*			trans	-105	162.5	-158.8	-60.3	-88.1	0	0	0	116.4
567	F	33.4	Very low	32	Very low	216 Å²	216	138.5 Å²	138.5	95%	0.947	77%	0.769	S	S	*	*				-164.1	169.6	125.8	-110.5	-73.7	0	0	0	111.9
568	N	32.4	Very low	31.9	Very low	162 Å²	162	135.9 Å²	135.9	87%	0.866	77%	0.771	S	S	*	*			trans	-132.7	157.7	-144.6	-133	-11.2	0	0	0	116.4
569	G	32.7	Very low	32	Very low	67 Å²	67	130.5 Å²	130.5	69%	0.691	77%	0.766	S	S	*	*			trans	174.2	150.3	171.8	0	0	0	0	0	115.8
570	S	33.2	Very low	32.2	Very low	114 Å²	114	132.8 Å²	132.8	80%	0.797	77%	0.772	S	S	*	*			trans	-149.9	-172.4	-171.8	-67.6	0	0	0	0	112.1
571	S	34	Very low	32.3	Very low	109 Å²	109	131.2 Å²	131.2	76%	0.762	77%	0.773	S	S	*	*			cis	-171.9	175.9	25.5	-19.4	0	0	0	0	109.2
572	S	33.7	Very low	32.2	Very low	94 Å²	94	127 Å²	127	66%	0.657	77%	0.772	S	S	*	*			cis	176	137.4	-23.7	52.5	0	0	0	0	112.9
573	L	29.8	Very low	32.1	Very low	164 Å²	164	131.4 Å²	131.4	86%	0.859	78%	0.777	S	S	*	*			trans	64.7	169.4	157.5	-82.3	85.9	0	0	0	118.8
574	S	31.4	Very low	31.8	Very low	104 Å²	104	132.5 Å²	132.5	73%	0.727	78%	0.781	S	S	*	*			cis	-177.8	176.5	-18.7	54.3	0	0	0	0	109.8
575	H	31.4	Very low	31.6	Very low	160 Å²	160	131.4 Å²	131.4	74%	0.741	79%	0.785	S	S	*	*			cis	-177.3	-176	-40.4	-173.8	-123.2	0	0	0	109.7
576	I	32.3	Very low	31.4	Very low	145 Å²	145	127 Å²	127	74%	0.744	78%	0.777	S	S	*	*			trans	80.2	153.7	162	-51.7	176.5	0	0	0	118.4
577	Q	31.3	Very low	31.4	Very low	172 Å²	172	126.4 Å²	126.4	80%	0.804	78%	0.782	S	S	*	*			cis	-178.9	144.7	-45.8	-172.9	166.1	-38.7	0	0	113.5
578	G	29	Very low	31.3	Very low	66 Å²	66	124 Å²	124	68%	0.68	78%	0.776	S	S	*	*			trans	97.7	160.1	152.4	0	0	0	0	0	119.9
579	S	31.1	Very low	31.3	Very low	101 Å²	101	121.1 Å²	121.1	71%	0.706	77%	0.768	S	S	*	*			cis	-168.2	156.9	-9.7	-76	0	0	0	0	114.7
580	H	34.6	Very low	31.2	Very low	195 Å²	195	122.4 Å²	122.4	90%	0.903	77%	0.767	S	S	*	*			trans	68.6	138.9	156	-65.1	-64	0	0	0	125.2
581	G	29.5	Very low	31.1	Very low	74 Å²	74	125.1 Å²	125.1	76%	0.763	77%	0.769	S	S	*	*			trans	144.2	103.5	139.9	0	0	0	0	0	120.5
582	A	31	Very low	30.8	Very low	104 Å²	104	123.4 Å²	123.4	86%	0.86	76%	0.757	S	S	*	*			trans	49.3	160.5	145.1	0	0	0	0	0	122.8
583	H	27.9	Very low	30.8	Very low	178 Å²	178	126.2 Å²	126.2	82%	0.824	76%	0.759	S	S	*	*			cis	-167.7	-169.9	-35.4	-145.3	-99.9	0	0	0	108.7
584	V	30.2	Very low	30.7	Very low	135 Å²	135	125.3 Å²	125.3	82%	0.818	75%	0.754	S	S	*	*			trans	89.8	157.2	166	-168.1	0	0	0	0	117.4
585	S	28.1	Very low	30.6	Very low	119 Å²	119	125.8 Å²	125.8	83%	0.832	76%	0.757	S	S	*	*			trans	-140.2	166.2	-151.9	-47.7	0	0	0	0	116.1
586	G	31.3	Very low	30.4	Very low	64 Å²	64	126.7 Å²	126.7	66%	0.66	77%	0.767	S	S	*	*			trans	171.6	114.7	161.2	0	0	0	0	0	109.9
587	S	31.7	Very low	30.3	Very low	111 Å²	111	123 Å²	123	78%	0.776	77%	0.766	S	S	*	*				76	134	62.2	-63.8	0	0	0	0	113.3
588	M	30	Very low	30.3	Very low	166 Å²	166	121.1 Å²	121.1	82%	0.818	77%	0.766	S	S	*	*			cis	-164.8	173.8	-3.9	-119.9	173.3	74.5	0	0	111.6
589	S	32.6	Very low	30.3	Very low	101 Å²	101	126.2 Å²	126.2	71%	0.706	77%	0.772	S	S	*	*			trans	89.6	141.1	157.4	-51.1	0	0	0	0	119.7
590	S	32	Very low	30.1	Very low	95 Å²	95	127 Å²	127	66%	0.664	78%	0.777	S	S	*	*			cis	-172.8	132.2	-19.5	49.3	0	0	0	0	112.7
591	M	29.9	Very low	29.9	Very low	170 Å²	170	122.7 Å²	122.7	84%	0.837	77%	0.769	S	S	*	*			trans	62.6	152.6	136.1	-65.6	-179.2	75.4	0	0	121.5
592	S	28.5	Very low	29.8	Very low	73 Å²	73	123 Å²	123	51%	0.51	76%	0.759	S	S	.	*			cis	-178.1	160	-17.8	55.4	0	0	0	0	113.2
593	H	32.4	Very low	29.7	Very low	153 Å²	153	126 Å²	126	71%	0.708	75%	0.753	S	S	*	*			trans	65.8	133.1	159.6	-53.8	-53.6	0	0	0	118.1
594	I	28	Very low	29.8	Very low	145 Å²	145	127 Å²	127	74%	0.744	75%	0.751	S	S	*	*			cis	90.3	110.2	31.7	-61.6	168.3	0	0	0	113.9
595	S	30.9	Very low	29.9	Very low	115 Å²	115	123.7 Å²	123.7	80%	0.804	74%	0.744	S	S	*	*			trans	166.2	149.6	131.5	-72	0	0	0	0	113.1
596	D	26.4	Very low	30.1	Very low	178 Å²	178	123.8 Å²	123.8	95%	0.952	74%	0.742	S	S	*	*			trans	-94.6	159.4	170	-65	-77.7	0	0	0	112.6
597	G	31	Very low	30	Very low	69 Å²	69	126.6 Å²	126.6	71%	0.711	75%	0.751	S	S	*	*			trans	169	109.6	173	0	0	0	0	0	111.7
598	V	31.1	Very low	29.8	Very low	132 Å²	132	124.5 Å²	124.5	80%	0.8	75%	0.747	S	S	*	*				102.7	105.6	63	161.8	0	0	0	0	112.4
599	Q	27.8	Very low	29.6	Very low	173 Å²	173	120.9 Å²	120.9	81%	0.808	74%	0.744	S	S	*	*			trans	52.5	143.7	145.6	-62.9	-178.3	-16.4	0	0	124
600	S	27.1	Very low	29.3	Very low	117 Å²	117	124.2 Å²	124.2	82%	0.818	75%	0.752	S	S	*	*			trans	71.5	149.8	149.5	-78.9	0	0	0	0	119.4
601	S	31.2	Very low	28.9	Very low	104 Å²	104	124.3 Å²	124.3	73%	0.727	75%	0.752	S	S	*	*			cis	-151.5	161.2	-4.9	45.7	0	0	0	0	112.9
602	S	27.1	Very low	28.9	Very low	81 Å²	81	122.8 Å²	122.8	57%	0.566	75%	0.753	S	S	*	*			trans	-39.1	149.9	164.4	48.3	0	0	0	0	115
603	F	28.3	Very low	28.9	Very low	166 Å²	166	122.7 Å²	122.7	73%	0.728	76%	0.764	S	S	*	*				-172.7	165.9	74.6	-99.8	-66.1	0	0	0	115.4
604	Y	29.5	Very low	28.8	Very low	201 Å²	201	121.3 Å²	121.3	79%	0.788	77%	0.766	S	S	*	*			trans	34.8	117.1	156.5	-67.6	-66.1	0	0	0	121.2
605	G	32.8	Very low	28.8	Very low	64 Å²	64	120.7 Å²	120.7	66%	0.66	77%	0.769	S	S	*	*			trans	-78.5	165.3	140.5	0	0	0	0	0	111
606	P	33.6	Very low	28.7	Very low	122 Å²	122	120 Å²	120	79%	0.792	76%	0.764	S	S	*	*				-148.1	-162.3	110.6	41.2	-25.8	0	0	0	113.2
607	S	28.9	Very low	28.9	Very low	122 Å²	122	117.4 Å²	117.4	85%	0.853	76%	0.76	S	S	*	*			trans	74.9	150.8	177	-49.9	0	0	0	0	114.3
608	G	27.1	Very low	28.9	Very low	67 Å²	67	117 Å²	117	69%	0.691	76%	0.755	S	S	*	*			cis	134.6	101.1	6.3	0	0	0	0	0	108
609	A	25.5	Very low	28.8	Very low	91 Å²	91	119.6 Å²	119.6	75%	0.752	76%	0.758	S	S	*	*				85.5	157.3	91.5	0	0	0	0	0	112.9
610	I	25.8	Very low	28.8	Very low	171 Å²	171	116.6 Å²	116.6	88%	0.877	75%	0.751	S	S	*	*			trans	72	142.1	170.7	-59.9	159.8	0	0	0	114.1
611	S	24.9	Very low	28.9	Very low	96 Å²	96	119.6 Å²	119.6	67%	0.671	75%	0.752	S	S	*	*			cis	-171	-174.5	-21.6	-173.3	0	0	0	0	109.4
612	T	30	Very low	28.8	Very low	138 Å²	138	117.4 Å²	117.4	85%	0.847	75%	0.746	S	S	*	*			trans	71.2	140.4	172.4	74.6	0	0	0	0	115.7
613	G	28.4	Very low	28.7	Very low	72 Å²	72	119 Å²	119	74%	0.742	76%	0.758	S	S	*	*			cis	174.2	176.6	-3.2	0	0	0	0	0	109.1
614	V	29.7	Very low	28.7	Very low	124 Å²	124	115.4 Å²	115.4	75%	0.752	75%	0.753	S	S	*	*			cis	-157.3	147.4	3.1	-177	0	0	0	0	108.4
615	T	27.6	Very low	28.6	Very low	132 Å²	132	112.7 Å²	112.7	81%	0.81	75%	0.752	S	S	*	*			trans	62.6	149.3	164.2	40.7	0	0	0	0	119.9
616	S	30	Very low	28.3	Very low	100 Å²	100	115.1 Å²	115.1	70%	0.699	75%	0.754	S	S	*	*			cis	-160.2	149.4	-6.3	46.1	0	0	0	0	113.2
617	S	29.7	Very low	27.9	Very low	124 Å²	124	118.2 Å²	118.2	87%	0.867	76%	0.755	S	S	*	*			trans	33.8	139.6	145.7	-52.1	0	0	0	0	122.1
618	G	30	Very low	27.8	Very low	59 Å²	59	123 Å²	123	61%	0.608	76%	0.756	S	S	*	*			cis	-170.5	160.9	3.1	0	0	0	0	0	111.4
619	H	29.3	Very low	27.7	Very low	188 Å²	188	123.7 Å²	123.7	87%	0.87	76%	0.763	S	S	*	*				75.7	137.1	101.9	-76.4	18.7	0	0	0	114.5
620	V	29	Very low	27.7	Very low	109 Å²	109	122.6 Å²	122.6	66%	0.661	76%	0.761	S	S	*	*			cis	-158.2	157.2	10.6	116.8	0	0	0	0	110.7
621	H	27.9	Very low	27.7	Very low	180 Å²	180	122.3 Å²	122.3	83%	0.833	76%	0.761	S	S	*	*			trans	6.1	156.2	159.2	-59.6	-126.1	0	0	0	121.4
622	G	29.2	Very low	27.6	Very low	59 Å²	59	122.1 Å²	122.1	61%	0.608	76%	0.76	S	S	*	*			cis	-168.1	168.3	8.8	0	0	0	0	0	111.3
623	S	26.5	Very low	27.3	Very low	115 Å²	115	126 Å²	126	80%	0.804	76%	0.76	S	S	*	*				56.7	132	89.2	-58.4	0	0	0	0	115
624	S	26.6	Very low	27.2	Very low	89 Å²	89	126.6 Å²	126.6	62%	0.622	75%	0.753	S	S	*	*			cis	-176.8	175.1	-2.4	45.4	0	0	0	0	110.6
625	N	29.2	Very low	27.2	Very low	144 Å²	144	127 Å²	127	77%	0.77	75%	0.751	S	S	*	*			trans	80.5	152	164.8	-51.8	-38.1	0	0	0	117.5
626	V	26	Very low	27.3	Very low	115 Å²	115	128.6 Å²	128.6	70%	0.697	75%	0.749	S	S	*	*			cis	149.4	135.2	-28.5	154	0	0	0	0	109
627	K	25.7	Very low	27.3	Very low	188 Å²	188	130.7 Å²	130.7	82%	0.817	75%	0.751	S	S	*	*			trans	71.2	152	167.9	-79.1	169.7	-179.7	-177.8	0	118.2
628	Y	25.1	Very low	27.4	Very low	222 Å²	222	132.7 Å²	132.7	87%	0.871	75%	0.746	S	S	*	*			cis	-172.5	141.8	-28.5	-138.1	-108.1	0	0	0	108.3
629	G	25.6	Very low	27.4	Very low	81 Å²	81	136.2 Å²	136.2	84%	0.835	75%	0.747	S	S	*	*			trans	71.4	168.1	178.5	0	0	0	0	0	114.5
630	G	25.6	Very low	27.6	Very low	69 Å²	69	133.1 Å²	133.1	71%	0.711	74%	0.741	S	S	*	*			cis	-175.8	164.6	-4.8	0	0	0	0	0	111.6
631	D	25.1	Very low	27.8	Very low	164 Å²	164	134.5 Å²	134.5	88%	0.877	75%	0.745	S	S	*	*			trans	52.4	108.3	161.4	-53.6	-25.5	0	0	0	122.1
632	S	23.9	Very low	27.8	Very low	93 Å²	93	129 Å²	129	65%	0.65	74%	0.737	S	S	*	*				49.9	151.2	117	-153.2	0	0	0	0	123.3
633	Y	23.9	Very low	27.9	Very low	220 Å²	220	132.5 Å²	132.5	86%	0.863	75%	0.746	S	S	*	*			trans	68.9	156.7	173	-62.1	-82.9	0	0	0	115.4
634	S	25.7	Very low	27.9	Very low	83 Å²	83	133.5 Å²	133.5	58%	0.58	74%	0.742	S	S	*	*			cis	-171.4	-178.6	-21.2	177.5	0	0	0	0	109
635	N	29.8	Very low	27.9	Very low	132 Å²	132	135.5 Å²	135.5	71%	0.706	75%	0.745	S	S	*	*			trans	91.6	118.2	164.1	-48.8	-18.6	0	0	0	113.7
636	H	28.6	Very low	27.7	Very low	167 Å²	167	134.3 Å²	134.3	77%	0.773	74%	0.744	S	S	*	*				62.6	131	81.4	-76.5	-87.1	0	0	0	111.8
637	I	31.4	Very low	27.8	Very low	144 Å²	144	132.4 Å²	132.4	74%	0.738	75%	0.748	S	S	*	*				-147.2	138.2	62.2	-82.6	166.8	0	0	0	112.7
638	E	31.4	Very low	27.7	Very low	165 Å²	165	128.7 Å²	128.7	77%	0.771	75%	0.745	S	S	*	*			trans	33.1	137.8	144.5	-54.9	167	159.6	0	0	121.2
639	E	30.4	Very low	27.6	Very low	133 Å²	133	124.5 Å²	124.5	62%	0.621	74%	0.742	S	S	*	*			cis	-136.5	-134.5	5.4	-145.6	-142.7	117.6	0	0	110.8	N641	E639-N641 PolarHBondContact OE1-N 2.8Å; E639-N641 PolarHBondContact OE1-ND2 3.22Å
640	T	33.5	Very low	27.5	Very low	123 Å²	123	125.7 Å²	125.7	76%	0.755	74%	0.738	S	S	*	*			cis	-143.9	146.7	6.6	-44.9	0	0	0	0	113.3
641	N	31.8	Very low	27.4	Very low	138 Å²	138	128.6 Å²	128.6	74%	0.738	75%	0.747	S	S	*	*			trans	-48	142.9	175.2	-63.3	-64.1	0	0	0	116	E639	E639-N641 PolarHBondContact OE1-N 2.8Å; E639-N641 PolarHBondContact OE1-ND2 3.22Å
642	G	29.8	Very low	27.3	Very low	64 Å²	64	124 Å²	124	66%	0.66	74%	0.739	S	S	*	*			cis	161.6	-177.9	-9.4	0	0	0	0	0	114.9
643	V	29.8	Very low	27.5	Very low	134 Å²	134	128.2 Å²	128.2	81%	0.812	75%	0.748	S	S	*	*			trans	72	128.1	149.4	174.1	0	0	0	0	118.3
644	L	27.6	Very low	27.5	Very low	135 Å²	135	126.3 Å²	126.3	71%	0.707	75%	0.745	S	S	*	*			cis	-163	147.5	-6.4	-109.7	178.8	0	0	0	111.6
645	N	26.7	Very low	27.6	Very low	131 Å²	131	131.2 Å²	131.2	70%	0.701	76%	0.758	S	S	*	*			trans	49.6	159.3	141.6	-79	15.3	0	0	0	125.3
646	T	25	Very low	27.4	Very low	119 Å²	119	132.7 Å²	132.7	73%	0.73	76%	0.758	S	S	*	*			cis	-174.3	141.7	-38.9	27.7	0	0	0	0	110.3
647	G	27.2	Very low	27.3	Very low	76 Å²	76	130.8 Å²	130.8	78%	0.784	75%	0.754	S	S	*	*			trans	73.8	176.3	156.5	0	0	0	0	0	118.6
648	S	23.4	Very low	27.1	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	75%	0.748	S	S	*	*			cis	-175	132.1	-25.4	49.8	0	0	0	0	113.5
649	V	23.3	Very low	26.8	Very low	134 Å²	134	131.3 Å²	131.3	81%	0.812	75%	0.746	S	S	*	*			trans	73.6	131.3	145.8	175.3	0	0	0	0	121.7
650	S	22.9	Very low	26.6	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	75%	0.752	S	S	*	*			trans	70.5	117.9	152.6	-75	0	0	0	0	125.1
651	S	23.7	Very low	26.2	Very low	129 Å²	129	134.2 Å²	134.2	90%	0.902	76%	0.756	S	S	*	*				60.1	126.7	119.2	-158.2	0	0	0	0	122.3
652	G	24.4	Very low	25.8	Very low	69 Å²	69	134.6 Å²	134.6	71%	0.711	76%	0.756	S	S	*	*			trans	164.6	104.5	160.8	0	0	0	0	0	117.7
653	H	27.5	Very low	25.6	Very low	181 Å²	181	137.7 Å²	137.7	84%	0.838	76%	0.762	S	S	*	*			trans	24.6	133.2	154.1	-77.1	-87.3	0	0	0	124.8
654	F	22.7	Very low	25.5	Very low	180 Å²	180	136.1 Å²	136.1	79%	0.789	76%	0.757	S	S	*	*			trans	-3.9	131.9	140	-65	-106.5	0	0	0	119.1
655	H	29.3	Very low	25.5	Very low	185 Å²	185	134.1 Å²	134.1	86%	0.856	76%	0.755	S	S	*	*				-164.4	-169.6	102.9	-131.2	-110.9	0	0	0	114.9
656	K	25.6	Very low	25.7	Very low	164 Å²	164	135.5 Å²	135.5	71%	0.713	76%	0.762	S	S	*	*			trans	-91.9	147.5	-162.6	-92.8	-175.5	170.9	178.9	0	117.3
657	N	26.7	Very low	25.7	Very low	127 Å²	127	137 Å²	137	68%	0.679	77%	0.766	S	S	*	*			trans	68.6	134	134	-65.8	16.6	0	0	0	123.8
658	H	27.5	Very low	25.8	Very low	134 Å²	134	140 Å²	140	62%	0.62	77%	0.768	S	S	*	*				105	142.5	126.7	-117.9	-76.2	0	0	0	122.1
659	Y	25.1	Very low	26	Very low	185 Å²	185	143.3 Å²	143.3	73%	0.725	77%	0.771	S	S	*	*			trans	66.8	155.2	168.8	-58.9	-67.5	0	0	0	116.5
660	D	24.9	Very low	26.2	Very low	139 Å²	139	139.9 Å²	139.9	74%	0.743	76%	0.763	S	S	*	*			cis	159.6	115.3	-31.9	-99.8	-7.4	0	0	0	106.1
661	E	25.5	Very low	26.4	Very low	179 Å²	179	143.3 Å²	143.3	84%	0.836	77%	0.772	S	S	*	*			trans	-170.7	127.7	156.3	-142.5	155.5	-170.9	0	0	107.5
662	I	23.9	Very low	26.4	Very low	145 Å²	145	142.8 Å²	142.8	74%	0.744	77%	0.768	S	S	*	*				61.1	135.5	63.1	-45	167.4	0	0	0	110.8
663	T	25.5	Very low	26.5	Very low	129 Å²	129	142.6 Å²	142.6	79%	0.791	77%	0.766	S	S	*	*			cis	-112.8	-123.1	16.3	-32.3	0	0	0	0	113.5
664	S	27.7	Very low	26.3	Very low	102 Å²	102	140.5 Å²	140.5	71%	0.713	77%	0.766	S	S	*	*			cis	-152.3	104.2	3.1	61.2	0	0	0	0	114.9
665	S	26.3	Very low	26.3	Very low	93 Å²	93	141.4 Å²	141.4	65%	0.65	76%	0.764	S	S	*	*			trans	27.9	130	141.2	60.2	0	0	0	0	123.4
666	N	31	Very low	26	Very low	159 Å²	159	135.8 Å²	135.8	85%	0.85	75%	0.746	S	S	*	*				-166.3	151.4	100.4	-96	-26.8	0	0	0	113.8
667	N	26.2	Very low	26	Very low	151 Å²	151	132.6 Å²	132.6	81%	0.807	74%	0.74	S	S	*	*			trans	-98.2	167.2	-172.4	-65.1	-46.2	0	0	0	113.6
668	V	29.5	Very low	25.8	Very low	138 Å²	138	132 Å²	132	84%	0.836	73%	0.733	S	S	*	*				-162.7	152.3	118.8	143.9	0	0	0	0	110.4
669	H	26.9	Very low	25.6	Very low	179 Å²	179	134.3 Å²	134.3	83%	0.829	75%	0.747	S	S	*	*			trans	-64.4	163.8	-175.9	-61	-112.3	0	0	0	114.4
670	G	26.7	Very low	25.5	Very low	62 Å²	62	129.8 Å²	129.8	64%	0.639	74%	0.742	S	S	*	*			cis	153.9	178	-3.8	0	0	0	0	0	112.9
671	L	27.5	Very low	25.4	Very low	180 Å²	180	132.9 Å²	132.9	94%	0.942	75%	0.749	S	S	*	*			trans	67.3	154.6	176.4	-54.7	170.1	0	0	0	115.9
672	S	24.3	Very low	25.3	Very low	117 Å²	117	129.6 Å²	129.6	82%	0.818	75%	0.746	S	S	*	*			cis	-171.6	153.9	-26.6	-179.1	0	0	0	0	108.6
673	G	25	Very low	25.3	Very low	65 Å²	65	127.3 Å²	127.3	67%	0.67	74%	0.743	S	S	*	*			trans	118.6	75.8	157.3	0	0	0	0	0	120.8
674	V	23.9	Very low	25.5	Very low	137 Å²	137	128.8 Å²	128.8	83%	0.83	75%	0.746	S	S	*	*			trans	17.3	120.1	131.1	-171.6	0	0	0	0	119.8
675	R	23.6	Very low	25.5	Very low	200 Å²	200	131.5 Å²	131.5	76%	0.755	75%	0.747	S	S	*	*				160.8	146.6	103.3	-146.7	167.7	-169.5	156.7	2.7	113.3	I765	R675-I765 VanDerWaalsContact O-CD1 3.3Å; R675-I765 WeakPolarHBondContact O-CD1 3.28Å; R675-I765 WeakPolarHBondContact O-CG2 3.46Å
676	S	22.9	Very low	25.7	Very low	67 Å²	67	133.5 Å²	133.5	47%	0.469	75%	0.75	S	S	.	*			trans	-107	147.8	173.1	-70.1	0	0	0	0	113.4
677	T	24.8	Very low	25.7	Very low	97 Å²	97	131.8 Å²	131.8	60%	0.595	74%	0.741	S	S	*	*			trans	-156	148.1	168.1	22.4	0	0	0	0	110.7	S766 S767	T677-S766 CarbonylContact O-C 3.54Å; T677-S766 WeakPolarHBondContact O-CA 3.26Å; T677-S767 PolarHBondContact O-N 2.77Å
678	E	22.9	Very low	25.7	Very low	114 Å²	114	130.6 Å²	130.6	53%	0.533	73%	0.734	S	S	.	*			trans	-83.8	157.2	170.2	-83.5	156.5	-177.8	0	0	112.3	R768 S769	E678-R768 WeakPolarHBondContact OE1-CA 3.42Å; E678-R768 PolarHBondContact OE1-N 2.85Å; E678-S769 PolarHBondContact OE1-N 3.25Å; E678-S769 PolarHBondContact OE2-N 3.5Å
679	M	24.1	Very low	25.5	Very low	183 Å²	183	132.1 Å²	132.1	90%	0.901	73%	0.734	S	S	*	*			trans	-158.5	162.6	158.2	-116.3	-177.2	-71.8	0	0	111.6
680	S	22.1	Very low	25.4	Very low	89 Å²	89	127.8 Å²	127.8	62%	0.622	73%	0.729	S	S	*	*			trans	-147.3	159	-148.6	-48	0	0	0	0	113.4
681	F	22.9	Very low	25.3	Very low	205 Å²	205	128 Å²	128	90%	0.899	73%	0.731	S	S	*	*			trans	64.7	156.5	170.9	-53.9	-69.6	0	0	0	113.9
682	S	23.5	Very low	25.1	Very low	109 Å²	109	124.9 Å²	124.9	76%	0.762	72%	0.724	S	S	*	*			cis	-145.2	150.8	30.3	-169.9	0	0	0	0	113.1
683	S	24.3	Very low	25.1	Very low	97 Å²	97	125.7 Å²	125.7	68%	0.678	72%	0.724	S	S	*	*			trans	-64.1	161.1	154.4	45.2	0	0	0	0	110.7
684	N	29.2	Very low	25	Very low	160 Å²	160	127.5 Å²	127.5	86%	0.856	73%	0.726	S	S	*	*			trans	-131.7	133.8	152.1	-154.7	1.4	0	0	0	108.2
685	E	28.6	Very low	25	Very low	160 Å²	160	126.7 Å²	126.7	75%	0.748	73%	0.727	S	S	*	*			trans	-88.5	163.1	-169.9	-59.3	-179.7	109.3	0	0	111
686	N	30.4	Very low	25.1	Very low	134 Å²	134	121.2 Å²	121.2	72%	0.717	73%	0.732	S	S	*	*				-171.7	142.4	109.3	-99.9	-60.3	0	0	0	114.4
687	N	29.5	Very low	25.2	Very low	123 Å²	123	126.3 Å²	126.3	66%	0.658	75%	0.749	S	S	*	*			trans	83.4	90	148.8	-63.2	-19.7	0	0	0	122.6
688	I	27.2	Very low	25.1	Very low	127 Å²	127	129.7 Å²	129.7	65%	0.651	76%	0.755	S	S	*	*				83.3	106.2	112.3	-70.3	161.4	0	0	0	118.8
689	M	25.7	Very low	25.5	Very low	169 Å²	169	132 Å²	132	83%	0.833	77%	0.766	S	S	*	*				44.6	153.7	125.9	-59.7	-163.3	-71.4	0	0	122.2
690	A	24.3	Very low	25.6	Very low	89 Å²	89	130.7 Å²	130.7	74%	0.736	76%	0.755	S	S	*	*			cis	-174.4	167.3	-21.5	0	0	0	0	0	108.5
691	G	24	Very low	26.1	Very low	66 Å²	66	133.2 Å²	133.2	68%	0.68	76%	0.762	S	S	*	*			trans	55.9	119.5	157.9	0	0	0	0	0	119.6
692	S	23.4	Very low	26.3	Very low	114 Å²	114	129.8 Å²	129.8	80%	0.797	75%	0.748	S	S	*	*				84.8	138.1	51.3	74.9	0	0	0	0	116.1
693	V	24.3	Very low	26.4	Very low	134 Å²	134	133.6 Å²	133.6	81%	0.812	75%	0.747	S	S	*	*			trans	94	109.2	159.9	-171.8	0	0	0	0	119.4
694	S	22.9	Very low	26.4	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	75%	0.748	S	S	*	*			trans	59	137.8	136.7	-143.2	0	0	0	0	125.1
695	S	24	Very low	26.1	Very low	120 Å²	120	135.7 Å²	135.7	84%	0.839	75%	0.745	S	S	*	*			trans	30.5	125.5	144.5	-57.5	0	0	0	0	123
696	G	25.9	Very low	26	Very low	85 Å²	85	136.1 Å²	136.1	88%	0.876	75%	0.751	S	S	*	*			trans	-162.2	137.5	162.9	0	0	0	0	0	113.4
697	H	24.8	Very low	25.6	Very low	174 Å²	174	135.6 Å²	135.6	81%	0.806	75%	0.753	S	S	*	*			trans	-92	145.5	-171.5	-105.2	-27.6	0	0	0	114.5
698	F	23.8	Very low	25.4	Very low	169 Å²	169	135.4 Å²	135.4	74%	0.741	76%	0.761	S	S	*	*			trans	56.8	164.5	153.6	-75.9	-84.3	0	0	0	117.8
699	H	30.1	Very low	25.2	Very low	162 Å²	162	134.1 Å²	134.1	75%	0.75	76%	0.764	S	S	*	*			cis	-146.9	-178.5	21.1	-155	-99.5	0	0	0	113.4
700	K	27.5	Very low	25.3	Very low	155 Å²	155	133.9 Å²	133.9	67%	0.674	77%	0.766	S	S	*	*			trans	-76.2	155.9	-172.8	-60.7	173.4	176.1	175.8	0	116.1
701	N	30.9	Very low	25.3	Very low	142 Å²	142	137 Å²	137	76%	0.759	77%	0.77	S	S	*	*				179	133	115.2	-81.7	-17.4	0	0	0	110
702	H	27.9	Very low	25.5	Very low	134 Å²	134	140.8 Å²	140.8	62%	0.62	78%	0.78	S	S	*	*				60.4	130.2	77.1	-87.8	-85.7	0	0	0	113.8
703	Y	25.5	Very low	25.6	Very low	188 Å²	188	143.7 Å²	143.7	74%	0.737	78%	0.78	S	S	*	*			cis	-153.1	163.7	22.1	-100.3	-72.6	0	0	0	114.9
704	N	25.1	Very low	25.8	Very low	129 Å²	129	140.9 Å²	140.9	69%	0.69	78%	0.779	S	S	*	*			trans	48.2	109.6	147.4	-65.2	-2.2	0	0	0	124.8
705	E	22.6	Very low	25.9	Very low	172 Å²	172	144 Å²	144	80%	0.804	79%	0.786	S	S	*	*				14.1	120.7	113.9	-175.5	175.4	-125.5	0	0	120.4
706	I	25.3	Very low	26.1	Very low	169 Å²	169	144.2 Å²	144.2	87%	0.867	79%	0.788	S	S	*	*			trans	-139.5	143.3	145.1	-66.5	-172.3	0	0	0	108.8
707	T	22.3	Very low	26	Very low	124 Å²	124	143.7 Å²	143.7	76%	0.761	78%	0.783	S	S	*	*			trans	-98.9	135.4	177.8	-59.9	0	0	0	0	111.8
708	S	26	Very low	26.1	Very low	118 Å²	118	142.2 Å²	142.2	83%	0.825	79%	0.785	S	S	*	*			trans	-151.8	143.2	153.1	66.7	0	0	0	0	112.6
709	S	23.1	Very low	26	Very low	101 Å²	101	145.3 Å²	145.3	71%	0.706	79%	0.792	S	S	*	*			trans	-100.4	153.3	175	54.5	0	0	0	0	110.9
710	N	28.6	Very low	25.8	Very low	164 Å²	164	143.4 Å²	143.4	88%	0.877	80%	0.797	S	S	*	*			trans	-162.9	149.3	138.3	-98.9	-28.5	0	0	0	112.6
711	N	24	Very low	25.6	Very low	153 Å²	153	142.3 Å²	142.3	82%	0.818	80%	0.804	S	S	*	*			trans	-93.7	145.9	176.3	-59.1	-55.3	0	0	0	110.9
712	V	28.4	Very low	25.2	Very low	147 Å²	147	143.2 Å²	143.2	89%	0.891	80%	0.803	S	S	*	*			trans	-141.3	138.6	147.1	-173.9	0	0	0	0	108.6
713	H	25.3	Very low	25	Very low	174 Å²	174	145.4 Å²	145.4	81%	0.806	82%	0.816	S	S	*	*			trans	-81.9	152.3	175.6	-90.3	-117.8	0	0	0	112.4
714	G	27.6	Very low	24.8	Very low	76 Å²	76	141 Å²	141	78%	0.784	81%	0.812	S	S	*	*			trans	-155.7	121.7	164.9	0	0	0	0	0	110.5
715	L	24.7	Very low	24.7	Very low	167 Å²	167	144.5 Å²	144.5	87%	0.874	82%	0.822	S	S	*	*			trans	-113.6	122.3	-170.8	-81.3	164.4	0	0	0	112.6
716	S	28.1	Very low	24.8	Very low	126 Å²	126	141.7 Å²	141.7	88%	0.881	82%	0.821	S	S	*	*			trans	-162.4	153.7	141.3	66.4	0	0	0	0	109.9
717	G	24.4	Very low	24.8	Very low	74 Å²	74	139 Å²	139	76%	0.763	82%	0.818	S	S	*	*			cis	155.1	35.3	-6.3	0	0	0	0	0	115.6
718	V	26.8	Very low	25	Very low	143 Å²	143	140.5 Å²	140.5	87%	0.867	82%	0.821	S	S	*	*			trans	-121.8	124.1	179.6	-176.6	0	0	0	0	110.6
719	R	22.5	Very low	25.2	Very low	234 Å²	234	142.3 Å²	142.3	88%	0.883	82%	0.816	S	S	*	*			trans	-77	147.3	172	-86.9	174.7	160.7	156.9	-8.3	110.8
720	S	24.6	Very low	25.4	Very low	121 Å²	121	144.7 Å²	144.7	85%	0.846	82%	0.821	S	S	*	*			trans	-141.1	137	142.5	-77	0	0	0	0	107.9
721	T	24.5	Very low	25.4	Very low	133 Å²	133	145 Å²	145	82%	0.816	82%	0.823	S	S	*	*			trans	-83.1	165.2	-162.8	-12.1	0	0	0	0	112.9
722	E	23.1	Very low	25.4	Very low	160 Å²	160	145.4 Å²	145.4	75%	0.748	82%	0.823	S	S	*	*			trans	-66	150	-170.1	-57	162.4	112.4	0	0	114.1
723	M	22.2	Very low	25.3	Very low	181 Å²	181	147 Å²	147	89%	0.892	82%	0.823	S	S	*	*				-140.8	120	122	-102.9	-172.8	-73.9	0	0	108.6
724	S	21.4	Very low	25.1	Very low	94 Å²	94	143.5 Å²	143.5	66%	0.657	82%	0.824	S	S	*	*			trans	-114.7	115.8	-168	45.2	0	0	0	0	111.3
725	F	23.4	Very low	25.1	Very low	204 Å²	204	145.8 Å²	145.8	90%	0.895	82%	0.822	S	S	*	*			trans	-100.1	91.7	172.4	-79	-78.2	0	0	0	110.8	S727	F725-S727 PolarHBondContact O-N 2.97Å
726	S	23.9	Very low	25	Very low	113 Å²	113	145 Å²	145	79%	0.79	82%	0.819	S	S	*	*			trans	-71.2	119.3	172.2	-174.9	0	0	0	0	110.6	N728	S726-N728 PolarHBondContact O-N 2.89Å
727	S	26	Very low	25.1	Very low	113 Å²	113	146.9 Å²	146.9	79%	0.79	81%	0.814	S	S	*	*			trans	-82.6	96.4	175	60	0	0	0	0	110.8	F725	F725-S727 PolarHBondContact O-N 2.97Å
728	N	27.2	Very low	25.1	Very low	154 Å²	154	149.5 Å²	149.5	82%	0.824	81%	0.809	S	S	*	*			trans	-102.4	96.5	171.3	-149.3	18.8	0	0	0	109.3	S726 N730	S726-N728 PolarHBondContact O-N 2.89Å; N728-N730 PolarHBondContact O-N 2.85Å; N728-N730 VanDerWaalsContact O-N 3.07Å
729	E	29.4	Very low	25.1	Very low	157 Å²	157	153.3 Å²	153.3	73%	0.734	81%	0.809	S	S	*	*			trans	-72.5	96.3	176.6	-71.4	-170.7	146.8	0	0	110.2
730	N	27.7	Very low	25.4	Very low	151 Å²	151	149.6 Å²	149.6	81%	0.807	80%	0.802	S	S	*	*			trans	-175.7	90	154.6	-93.6	-27.8	0	0	0	111.5	N728	N728-N730 PolarHBondContact O-N 2.85Å; N728-N730 VanDerWaalsContact O-N 3.07Å
731	N	28.6	Very low	25.4	Very low	171 Å²	171	147.5 Å²	147.5	91%	0.914	80%	0.799	S	S	*	*			trans	178.8	164.3	133.7	-95.4	-21.9	0	0	0	112.3
732	I	23.3	Very low	25.7	Very low	160 Å²	160	148.2 Å²	148.2	82%	0.821	80%	0.804	S	S	*	*			trans	-93.6	127.6	177	-59.3	166.2	0	0	0	108.9
733	M	25.8	Very low	25.8	Very low	182 Å²	182	146.4 Å²	146.4	90%	0.897	81%	0.809	S	S	*	*			trans	-169.7	158.8	140.8	-110.5	176.3	-73.4	0	0	111
734	A	22.6	Very low	26	Very low	99 Å²	99	141.1 Å²	141.1	82%	0.818	80%	0.8	S	S	*	*			trans	-90.7	145.4	177.5	0	0	0	0	0	111
735	V	26.7	Very low	26.4	Very low	124 Å²	124	146 Å²	146	75%	0.752	82%	0.815	S	S	*	*			trans	-139.3	125.9	174.2	177.7	0	0	0	0	109	E737	V735-E737 HydrophobicContact CG1-CG 4.25Å
736	N	23.8	Very low	26.6	Very low	152 Å²	152	144.2 Å²	144.2	81%	0.813	81%	0.809	S	S	*	*			trans	-77	136	161.4	-78.6	-27	0	0	0	108.5
737	E	28.6	Very low	26.9	Very low	165 Å²	165	144.1 Å²	144.1	77%	0.771	81%	0.808	S	S	*	*			trans	-121.4	125.3	156.8	-76.4	-158.9	132	0	0	110.8	V735	V735-E737 HydrophobicContact CG1-CG 4.25Å
738	I	24.8	Very low	27	Very low	128 Å²	128	148.2 Å²	148.2	66%	0.656	81%	0.806	S	S	*	*			trans	-109.6	115.2	177.3	-57.9	169.2	0	0	0	106.3	H740	I738-H740 VanDerWaalsContact CG2-CD2 3.49Å; I738-H740 WeakPolarHBondContact CG2-CD2 3.39Å; I738-H740 PolarHBondContact O-N 2.89Å
739	Y	27.5	Very low	27.1	Very low	223 Å²	223	147.9 Å²	147.9	88%	0.875	80%	0.8	S	S	*	*			trans	-79.1	87.6	174.3	-99.4	-84.3	0	0	0	110.9
740	H	27.6	Very low	27.1	Very low	157 Å²	157	147.1 Å²	147.1	73%	0.727	81%	0.806	S	S	*	*			trans	-78.6	143	160.5	-84	-82.6	0	0	0	110.6	I738	I738-H740 VanDerWaalsContact CG2-CD2 3.49Å; I738-H740 WeakPolarHBondContact CG2-CD2 3.39Å; I738-H740 PolarHBondContact O-N 2.89Å
741	G	24.6	Very low	27.2	Very low	76 Å²	76	148 Å²	148	78%	0.784	81%	0.808	S	S	*	*			trans	-82.5	162.9	170.9	0	0	0	0	0	112.6
742	T	31.6	Very low	27.2	Very low	149 Å²	149	144.2 Å²	144.2	91%	0.914	80%	0.795	S	S	*	*			trans	-130	155.1	177	50.9	0	0	0	0	111
743	S	25.6	Very low	27.5	Very low	122 Å²	122	141.9 Å²	141.9	85%	0.853	79%	0.792	S	S	*	*			trans	-137.1	133.5	-173.6	-177.2	0	0	0	0	111.6
744	G	25.5	Very low	27.8	Very low	69 Å²	69	136.4 Å²	136.4	71%	0.711	78%	0.783	S	S	*	*			trans	59.9	134.6	150.6	0	0	0	0	0	120.8
745	M	30.4	Very low	28.2	Very low	197 Å²	197	140.7 Å²	140.7	97%	0.97	79%	0.786	S	S	*	*				-167.2	179.4	120.6	-98.1	-158.8	89.1	0	0	110.7
746	H	28.1	Very low	28.2	Very low	167 Å²	167	139.1 Å²	139.1	77%	0.773	78%	0.78	S	S	*	*			trans	-127	148.9	-151.3	-127.7	-68.3	0	0	0	113.4
747	S	29.6	Very low	28.6	Very low	110 Å²	110	136.8 Å²	136.8	77%	0.769	78%	0.776	S	S	*	*			trans	144.4	156.3	142.8	-70.4	0	0	0	0	114.8
748	R	29.2	Very low	28.7	Very low	199 Å²	199	139.6 Å²	139.6	75%	0.751	78%	0.779	S	S	*	*			cis	-174.3	123.1	-27.4	177.9	170.4	-178.5	168.8	5.9	112
749	E	28.4	Very low	28.9	Very low	148 Å²	148	139.6 Å²	139.6	69%	0.692	79%	0.786	S	S	*	*			trans	58.1	162.8	158.1	-71.8	153.9	-174.3	0	0	118.2
750	T	28.9	Very low	29	Very low	141 Å²	141	134.3 Å²	134.3	87%	0.865	78%	0.782	S	S	*	*			cis	-140.9	-168.8	32.8	-23.7	0	0	0	0	114.6
751	M	29.3	Very low	29	Very low	170 Å²	170	130.1 Å²	130.1	84%	0.837	78%	0.78	S	S	*	*			trans	-110.9	-167.6	-160.7	-47.6	175.6	68.8	0	0	113.3
752	S	29.9	Very low	29.2	Very low	91 Å²	91	132.9 Å²	132.9	64%	0.636	78%	0.782	S	S	*	*			cis	-173.4	177.8	11.2	-131.4	0	0	0	0	109.4
753	S	29.1	Very low	29	Very low	110 Å²	110	134.1 Å²	134.1	77%	0.769	78%	0.778	S	S	*	*			cis	-178.8	128.7	-42	55.1	0	0	0	0	112.9
754	G	31.4	Very low	29	Very low	68 Å²	68	135.1 Å²	135.1	70%	0.701	77%	0.772	S	S	*	*			trans	-177.2	123.1	168	0	0	0	0	0	113.1
755	Q	31	Very low	29.1	Very low	188 Å²	188	137.3 Å²	137.3	88%	0.879	77%	0.766	S	S	*	*				75.7	144.5	81	-76	-139.1	77.2	0	0	114.3
756	S	27.9	Very low	28.9	Very low	92 Å²	92	131.7 Å²	131.7	64%	0.643	75%	0.746	S	S	*	*			cis	-175.3	166.9	-8.6	-100.1	0	0	0	0	108.9
757	S	31	Very low	28.9	Very low	103 Å²	103	126.7 Å²	126.7	72%	0.72	73%	0.73	S	S	*	*			cis	-167.4	-160.6	-10.5	60.2	0	0	0	0	109.9
758	R	31	Very low	28.9	Very low	223 Å²	223	131.4 Å²	131.4	84%	0.842	73%	0.731	S	S	*	*			trans	75.7	151.7	-175.5	-51	180	179.3	175.7	-0.5	114.9
759	T	29.6	Very low	28.7	Very low	128 Å²	128	125.5 Å²	125.5	79%	0.785	72%	0.72	S	S	*	*			cis	85.1	149.8	7.2	86.2	0	0	0	0	117.5
760	S	30.1	Very low	28.7	Very low	113 Å²	113	123.2 Å²	123.2	79%	0.79	72%	0.721	S	S	*	*			cis	-149.9	151.1	16	-54	0	0	0	0	116
761	G	27.8	Very low	28.6	Very low	68 Å²	68	124.6 Å²	124.6	70%	0.701	72%	0.717	S	S	*	*			trans	78.1	176.3	139.2	0	0	0	0	0	120.5
762	T	28.1	Very low	28.6	Very low	134 Å²	134	123.6 Å²	123.6	82%	0.822	72%	0.715	S	S	*	*			cis	-172.8	166.1	-38.2	-2.7	0	0	0	0	108.2
763	Q	26.5	Very low	28.4	Very low	175 Å²	175	127.6 Å²	127.6	82%	0.818	73%	0.729	S	S	*	*			cis	-152.8	-165.3	-3.9	-157.9	160.8	-53.5	0	0	109.3
764	I	25.9	Very low	28.5	Very low	144 Å²	144	131.5 Å²	131.5	74%	0.738	74%	0.735	S	S	*	*			trans	-143	141.4	-173.3	-51.6	172.6	0	0	0	112.9
765	I	27.4	Very low	28.4	Very low	115 Å²	115	131.3 Å²	131.3	59%	0.59	73%	0.733	S	S	*	*			trans	-150.8	153.4	145.3	-18.5	167.5	0	0	0	110.9	R675	R675-I765 VanDerWaalsContact O-CD1 3.3Å; R675-I765 WeakPolarHBondContact O-CD1 3.28Å; R675-I765 WeakPolarHBondContact O-CG2 3.46Å
766	S	27.5	Very low	28.5	Very low	79 Å²	79	128 Å²	128	55%	0.552	73%	0.73	S	S	*	*			trans	-158.5	133.6	-176.8	-58	0	0	0	0	115.4	T677	T677-S766 CarbonylContact O-C 3.54Å; T677-S766 WeakPolarHBondContact O-CA 3.26Å
767	S	27.5	Very low	28.7	Very low	61 Å²	61	129.6 Å²	129.6	43%	0.427	74%	0.742	S	S	.	*			trans	163.5	148.3	151.4	-81	0	0	0	0	117.8	T677	T677-S767 PolarHBondContact O-N 2.77Å
768	R	28.8	Very low	28.7	Very low	209 Å²	209	128.5 Å²	128.5	79%	0.789	75%	0.747	S	S	*	*			trans	77.7	100.5	145.1	-80.9	-174.2	177.6	-174.3	-0.7	124	E678	E678-R768 WeakPolarHBondContact OE1-CA 3.42Å; E678-R768 PolarHBondContact OE1-N 2.85Å
769	S	26.5	Very low	28.8	Very low	75 Å²	75	128.3 Å²	128.3	52%	0.524	75%	0.746	S	S	.	*				101.5	139.9	95.9	71.8	0	0	0	0	122.8	E678	E678-S769 PolarHBondContact OE1-N 3.25Å; E678-S769 PolarHBondContact OE2-N 3.5Å
770	S	27.1	Very low	29.1	Very low	101 Å²	101	130.3 Å²	130.3	71%	0.706	75%	0.746	S	S	*	*			trans	97.8	129.2	147.4	-53.6	0	0	0	0	120.8
771	E	26.9	Very low	29.2	Very low	170 Å²	170	130.2 Å²	130.2	79%	0.794	75%	0.745	S	S	*	*			trans	48.9	111	147.9	-58	175.4	-177.3	0	0	119.1
772	N	29.9	Very low	29.5	Very low	148 Å²	148	130.7 Å²	130.7	79%	0.791	75%	0.75	S	S	*	*				-173.5	156.8	75.5	-93.6	-79.9	0	0	0	111.7
773	L	26.3	Very low	29.7	Very low	176 Å²	176	131.7 Å²	131.7	92%	0.921	75%	0.75	S	S	*	*			trans	-144.2	120.7	170.5	-111.1	170	0	0	0	110.2
774	Q	30.4	Very low	30	Very low	192 Å²	192	133.2 Å²	133.2	90%	0.897	76%	0.755	S	S	*	*			trans	-150.7	128.6	-174.6	-156.1	175.9	55.8	0	0	111.4
775	G	28.7	Very low	30.2	Very low	64 Å²	64	131.4 Å²	131.4	66%	0.66	76%	0.755	S	S	*	*			trans	85.1	145.3	178.7	0	0	0	0	0	115.2
776	S	34	Very low	30.5	Very low	117 Å²	117	131.8 Å²	131.8	82%	0.818	77%	0.765	S	S	*	*			cis	-155.3	137.7	-4.2	-84.5	0	0	0	0	113.8
777	S	30.7	Very low	30.9	Very low	127 Å²	127	133.7 Å²	133.7	89%	0.888	78%	0.778	S	S	*	*			trans	36.3	122.7	144.9	-60.9	0	0	0	0	123
778	G	31.8	Very low	31.1	Very low	80 Å²	80	138.2 Å²	138.2	83%	0.825	80%	0.798	S	S	*	*			trans	-151.2	116.6	149.3	0	0	0	0	0	111
779	R	33.7	Very low	31.3	Very low	218 Å²	218	133.5 Å²	133.5	82%	0.823	80%	0.796	S	S	*	*			trans	-85.1	166.9	175.2	-70.1	176.4	173	168.7	-3.8	109.3
780	H	34.9	Very low	31.6	Very low	171 Å²	171	134.1 Å²	134.1	79%	0.792	81%	0.806	S	S	*	*			cis	-149.3	140.8	37.1	-73.2	-102.9	0	0	0	109.1
781	S	32.5	Very low	31.8	Very low	110 Å²	110	136.4 Å²	136.4	77%	0.769	81%	0.81	S	S	*	*				84.4	113	58.4	-55.7	0	0	0	0	114.8
782	G	35.1	Very low	32.1	Very low	78 Å²	78	136.9 Å²	136.9	80%	0.804	81%	0.812	S	S	*	*			trans	-179.8	99.9	172.3	0	0	0	0	0	112.8
783	N	30.6	Very low	32	Very low	155 Å²	155	133.2 Å²	133.2	83%	0.829	81%	0.809	S	S	*	*			trans	-106.7	161.1	-179.2	-73.9	-11.6	0	0	0	111.8
784	F	32.6	Very low	32.3	Very low	208 Å²	208	130.4 Å²	130.4	91%	0.912	80%	0.804	S	S	*	*			trans	162.8	142.5	145.3	-83.7	-58.4	0	0	0	108.5
785	S	31	Very low	32.3	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	81%	0.806	S	S	*	*			cis	-161.8	151.9	-28.5	-116.7	0	0	0	0	109.9
786	P	34.4	Very low	32.2	Very low	123 Å²	123	131.8 Å²	131.8	80%	0.799	82%	0.815	S	S	*	*			trans	-111.6	160.8	-173.7	40.3	-33.7	0	0	0	116.1
787	S	35.3	Very low	31.7	Very low	120 Å²	120	130.6 Å²	130.6	84%	0.839	81%	0.812	S	S	*	*			trans	-170.6	156.4	163.7	55.1	0	0	0	0	111.1
788	N	31.7	Very low	31.7	Very low	156 Å²	156	133.4 Å²	133.4	83%	0.834	81%	0.811	S	S	*	*			cis	-160.9	-179.5	-35.8	-152.1	-8.8	0	0	0	110
789	S	33.8	Very low	31.4	Very low	109 Å²	109	135.2 Å²	135.2	76%	0.762	81%	0.811	S	S	*	*			trans	69.6	126.3	179.6	69.1	0	0	0	0	116
790	A	32.8	Very low	30.9	Very low	89 Å²	89	128.7 Å²	128.7	74%	0.736	81%	0.812	S	S	*	*			cis	103.1	146.1	32.2	0	0	0	0	0	111.6
791	L	31.4	Very low	30.4	Very low	148 Å²	148	123.8 Å²	123.8	78%	0.775	81%	0.808	S	S	*	*			cis	-132.9	163.8	15.2	-79.7	84.6	0	0	0	112.6
792	H	32	Very low	29.9	Very low	181 Å²	181	126.9 Å²	126.9	84%	0.838	81%	0.814	S	S	*	*			trans	38	132.2	150.1	-69	-132.3	0	0	0	119.4
793	G	28.8	Very low	29.3	Very low	71 Å²	71	127.4 Å²	127.4	73%	0.732	81%	0.81	S	S	*	*			cis	167.6	-178.3	9.4	0	0	0	0	0	107.7
794	S	32.4	Very low	29.1	Very low	117 Å²	117	126.9 Å²	126.9	82%	0.818	81%	0.813	S	S	*	*			cis	-152.3	-163.2	-1.5	-69.1	0	0	0	0	108.7
795	H	29.3	Very low	28.7	Very low	202 Å²	202	122.6 Å²	122.6	94%	0.935	81%	0.809	S	S	*	*			trans	-94.3	150.8	-173	-69.4	-107.9	0	0	0	115.1
796	G	27	Very low	28.5	Very low	82 Å²	82	120.4 Å²	120.4	85%	0.845	80%	0.803	S	S	*	*			trans	-169.5	110.2	165	0	0	0	0	0	111.8
797	A	24.6	Very low	28.1	Very low	93 Å²	93	119.3 Å²	119.3	77%	0.769	80%	0.797	S	S	*	*			trans	-125.7	124.5	179.9	0	0	0	0	0	111.6
798	Q	29.5	Very low	27.7	Very low	186 Å²	186	122 Å²	122	87%	0.869	79%	0.793	S	S	*	*			trans	-166.3	133	166	-97.7	138.5	91.9	0	0	105.5
799	S	25.6	Very low	27.5	Very low	118 Å²	118	124.7 Å²	124.7	83%	0.825	79%	0.793	S	S	*	*			cis	82.8	117.2	41.1	-166.2	0	0	0	0	114
800	G	23.1	Very low	27.2	Very low	81 Å²	81	126.4 Å²	126.4	84%	0.835	79%	0.794	S	S	*	*			trans	81.3	145.7	159.3	0	0	0	0	0	117.9
801	G	24.8	Very low	26.8	Very low	68 Å²	68	126.9 Å²	126.9	70%	0.701	79%	0.792	S	S	*	*			trans	120.5	78.3	177.5	0	0	0	0	0	112.4
802	I	22	Very low	26.7	Very low	175 Å²	175	125.8 Å²	125.8	90%	0.897	79%	0.791	S	S	*	*				67.4	134.1	64.9	-56.2	177.8	0	0	0	112.7
803	A	23	Very low	26.4	Very low	88 Å²	88	120.1 Å²	120.1	73%	0.727	78%	0.782	S	S	*	*			trans	-57.8	157.2	-165.9	0	0	0	0	0	116.7
804	T	26.3	Very low	26.3	Very low	144 Å²	144	123.7 Å²	123.7	88%	0.883	78%	0.784	S	S	*	*			trans	-148.2	142.6	132.1	-3.7	0	0	0	0	110.6
805	S	24.8	Very low	25.9	Very low	119 Å²	119	125.2 Å²	125.2	83%	0.832	78%	0.783	S	S	*	*			trans	-83.7	156.1	173.6	50.7	0	0	0	0	111.2
806	G	26.8	Very low	25.7	Very low	59 Å²	59	124.8 Å²	124.8	61%	0.608	78%	0.779	S	S	*	*			trans	150	112.8	163.8	0	0	0	0	0	115.1	K808	G806-K808 PolarHBondContact O-N 2.85Å
807	C	24.5	Very low	25.5	Very low	99 Å²	99	127.2 Å²	127.2	67%	0.669	78%	0.783	S	S	*	*			trans	-68.2	81.1	148.2	-71	0	0	0	0	108.2
808	K	27.5	Very low	25.6	Very low	177 Å²	177	126.8 Å²	126.8	77%	0.77	77%	0.774	S	S	*	*			trans	-118	139.7	-179.4	-85.8	-172.1	172.8	-179.4	0	112.7	G806 N810	G806-K808 PolarHBondContact O-N 2.85Å; K808-N810 PolarHBondContact O-N 3.25Å
809	Y	27.2	Very low	25.3	Very low	212 Å²	212	124.1 Å²	124.1	83%	0.831	78%	0.776	S	S	*	*			trans	-88	81.3	-169.6	-168.8	-90.4	0	0	0	110.9	S811	Y809-S811 PolarHBondContact O-N 2.83Å
810	N	27.4	Very low	25.4	Very low	145 Å²	145	123.4 Å²	123.4	78%	0.775	77%	0.771	S	S	*	*			trans	-86.2	83.6	172.1	-81.7	17.7	0	0	0	110.4	K808 V812	K808-N810 PolarHBondContact O-N 3.25Å; N810-V812 PolarHBondContact O-N 3.18Å; N810-V812 VanDerWaalsContact O-N 3.14Å
811	S	25.4	Very low	25.6	Very low	100 Å²	100	123.2 Å²	123.2	70%	0.699	77%	0.769	S	S	*	*			trans	-73.8	95.8	162.3	-172	0	0	0	0	108.8	Y809	Y809-S811 PolarHBondContact O-N 2.83Å
812	V	29.9	Very low	26	Very low	124 Å²	124	123.5 Å²	123.5	75%	0.752	77%	0.772	S	S	*	*			trans	-119.9	106.9	167	-179.5	0	0	0	0	106.4	N810	N810-V812 PolarHBondContact O-N 3.18Å; N810-V812 VanDerWaalsContact O-N 3.14Å
813	G	24.3	Very low	27.4	Very low	62 Å²	62	119.2 Å²	119.2	64%	0.639	75%	0.75	S	S	*	*			trans	-77.9	137.8	168.1	0	0	0	0	0	109.9
814	N	26.7	Very low	28.7	Very low	147 Å²	147	116.5 Å²	116.5	79%	0.786	73%	0.725	S	S	*	*			trans	-169.6	114	143.8	-98.5	0.7	0	0	0	109.2	F816	N814-F816 PolarHBondContact O-N 2.93Å
815	D	24.3	Very low	29.9	Very low	149 Å²	149	111.4 Å²	111.4	80%	0.797	70%	0.701	S	S	*	*			trans	35.4	78.5	141.2	-54.2	-20.4	0	0	0	118.7
816	F	25.8	Very low	31.5	Very low	192 Å²	192	106.4 Å²	106.4	84%	0.842	67%	0.668	S	S	*	*			trans	-133.3	87.9	147.8	-106	-82.8	0	0	0	110.6	N814 S818	N814-F816 PolarHBondContact O-N 2.93Å; F816-S818 VanDerWaalsContact C-N 3.3Å; F816-S818 PolarHBondContact O-N 3.13Å
817	S	22.3	Very low	33.1	Very low	134 Å²	134	104 Å²	104	94%	0.937	64%	0.642	S	S	*	*			trans	-78.2	74.4	176.2	58.6	0	0	0	0	111.4
818	S	26.4	Very low	35.2	Very low	84 Å²	84	99.5 Å²	99.5	59%	0.587	61%	0.611	S	S	*	*			trans	-128.1	132.9	172.5	62.9	0	0	0	0	111.7	F816 S820	F816-S818 VanDerWaalsContact C-N 3.3Å; F816-S818 PolarHBondContact O-N 3.13Å; S818-S820 PolarHBondContact O-N 2.85Å
819	S	23.4	Very low	37.7	Very low	129 Å²	129	91.1 Å²	91.1	90%	0.902	58%	0.575	S	S	*	*			trans	-61.2	103.8	-169.9	52.5	0	0	0	0	113
820	S	27.7	Very low	40.3	Very low	104 Å²	104	81 Å²	81	73%	0.727	54%	0.536	S	S	*	.			trans	-125.9	122.8	164.1	55.1	0	0	0	0	109.5	S818 G822	S818-S820 PolarHBondContact O-N 2.85Å; S820-G822 PolarHBondContact O-N 2.85Å
821	G	26.6	Very low	43.1	Very low	77 Å²	77	74.1 Å²	74.1	79%	0.794	50%	0.499	S	S	*	.			trans	-70.7	91.8	178.5	0	0	0	0	0	110.2	L823	G821-L823 PolarHBondContact O-N 2.84Å
822	G	34.8	Very low	46	Very low	73 Å²	73	70.5 Å²	70.5	75%	0.753	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-47.6	120.9	-176.2	0	0	0	0	0	111.8	S820	S820-G822 PolarHBondContact O-N 2.85Å
823	L	49.6	Very low	48.6	Very low	85 Å²	85	66.1 Å²	66.1	45%	0.445	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-61.9	143.1	-172	-69.2	-174.5	0	0	0	111.2	G821 G825 F952 F1016	G821-L823 PolarHBondContact O-N 2.84Å; L823-G825 PolarHBondContact O-N 3.11Å; L823-F952 HydrophobicContact CD1-CE1 4.07Å; L823-F952 HydrophobicContact CD1-CE2 3.93Å; L823-F952 HydrophobicContact CD1-CZ 3.68Å; L823-F1016 HydrophobicContact CD1-CE2 4.17Å; L823-F1016 HydrophobicContact CD2-CD2 4.16Å; L823-F1016 HydrophobicContact CD2-CE2 3.54Å; L823-F1016 HydrophobicContact CD2-CZ 4.12Å; L823-F1016 HydrophobicContact CG-CE2 4.41Å
824	P	50.2	Low	51.4	Low	31 Å²	31	65.1 Å²	65.1	20%	0.201	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-54.7	142.4	171.5	23.7	-33.8	0	0	0	110.8	Q934 F936 R964 F1016	P824-Q934 HydrophobicContact CB-CB 4.13Å; P824-Q934 HydrophobicContact CB-CG 4.16Å; P824-Q934 VanDerWaalsContact CB-OE1 3.29Å; P824-F936 HydrophobicContact CB-CE1 3.88Å; P824-F936 HydrophobicContact CB-CZ 4.04Å; P824-F936 HydrophobicContact CG-CE1 3.64Å; P824-F936 HydrophobicContact CG-CZ 4.2Å; P824-R964 PolarHBondContact O-NH1 2.84Å; P824-F1016 HydrophobicContact CG-CZ 4.3Å
825	G	52.4	Low	53.6	Low	37 Å²	37	61 Å²	61	38%	0.381	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-59.2	161.7	-175	0	0	0	0	0	113	L823	L823-G825 PolarHBondContact O-N 3.11Å
826	A	57.7	Low	55.6	Low	15 Å²	15	59.5 Å²	59.5	12%	0.124	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-59.1	145	174.1	0	0	0	0	0	110.9	G828 P962 V963 R964	A826-G828 PolarHBondContact O-N 2.84Å; A826-P962 HydrophobicContact CB-CB 3.85Å; A826-V963 WeakPolarHBondContact CB-O 3.32Å; A826-R964 HydrophobicContact CB-CB 4.24Å
827	S	60.8	Low	57.2	Low	9 Å²	9	57.7 Å²	57.7	6%	0.063	40%	0.404	C	S	.	.			trans	-63.7	102.8	-177.9	-174.8	0	0	0	0	111.4	V829 G845	S827-V829 PolarHBondContact O-N 3.48Å; S827-G845 PolarHBondContact OG-O 2.76Å
828	G	68.4	Low	59.2	Low	3 Å²	3	54.5 Å²	54.5	3%	0.031	38%	0.381	C	S	.	.			trans	-81.1	53.7	176	0	0	0	0	0	112.9	A826 V878 G879	A826-G828 PolarHBondContact O-N 2.84Å; G828-V878 CarbonylContact O-C 3.11Å; G828-V878 WeakPolarHBondContact O-CA 3.28Å; G828-G879 CarbonylContact C-O 3.47Å; G828-G879 VanDerWaalsContact CA-O 3.3Å; G828-G879 WeakPolarHBondContact CA-O 3.45Å; G828-G879 PolarHBondContact O-N 2.95Å
829	V	81.3	Confident	61.1	Low	2 Å²	2	52.3 Å²	52.3	1%	0.012	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117.1	175.8	-179.7	0	0	0	0	108.8	S827 T844 G845 L847 V859 V876 Y877 V878	S827-V829 PolarHBondContact O-N 3.48Å; V829-T844 CarbonylContact O-C 3.56Å; V829-T844 WeakPolarHBondContact O-CA 3.43Å; V829-G845 PolarHBondContact O-N 2.83Å; V829-L847 HydrophobicContact CG2-CB 4.15Å; V829-V859 HydrophobicContact CG1-CG1 3.74Å; V829-V859 HydrophobicContact CG1-CG2 4.12Å; V829-V876 HydrophobicContact CG1-CG1 3.63Å; V829-Y877 WeakPolarHBondContact CA-O 3.4Å; V829-V878 HydrophobicContact CG1-CG2 4.4Å; V829-V878 HydrophobicContact CG2-CG1 4.14Å; V829-V878 HydrophobicContact CG2-CG2 4.31Å
830	H	82.3	Confident	63.3	Low	0 Å²	0	52.2 Å²	52.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.6	-174.1	-55.6	-105.1	0	0	0	108.9	F832 E841 V876 Y877 L882 V956	H830-F832 HydrophobicContact CB-CE2 3.79Å; H830-F832 HydrophobicContact CB-CZ 4.42Å; H830-E841 IonicContact CE1-OE1 3.72Å; H830-E841 IonicContact CG-OE1 3.74Å; H830-E841 IonicContact ND1-OE1 2.75Å; H830-E841 PolarHBondContact ND1-OE1 2.97Å; H830-V876 CarbonylContact O-C 3.51Å; H830-V876 VanDerWaalsContact O-CA 3.31Å; H830-V876 WeakPolarHBondContact O-CA 3.4Å; H830-V876 WeakPolarHBondContact O-CG1 3.24Å; H830-Y877 AromaticContact CD2-CD1 3.91Å; H830-Y877 PolarHBondContact N-O 3.41Å; H830-Y877 PolarHBondContact O-N 3.02Å; H830-L882 HydrophobicContact CB-CD2 4.14Å; H830-L882 VanDerWaalsContact CE1-CG 3.46Å; H830-L882 WeakPolarHBondContact CE1-CG 3.34Å; H830-V956 WeakPolarHBondContact CE1-CG2 3.32Å
831	I	86	Confident	65.2	Low	0 Å²	0	50 Å²	50	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.6	-177.3	-54.7	168.2	0	0	0	106.9	A842 C843 T844 T861 V866 Y874 V876 L921	I831-A842 WeakPolarHBondContact O-CA 3.49Å; I831-A842 WeakPolarHBondContact O-CB 3.36Å; I831-A842 PolarHBondContact O-N 3.21Å; I831-C843 HydrophobicContact CB-CB 4.1Å; I831-C843 HydrophobicContact CD1-CB 4.01Å; I831-C843 PolarHBondContact N-O 2.8Å; I831-C843 PolarHBondContact O-N 3.16Å; I831-T844 VanDerWaalsContact CD1-O 3.23Å; I831-T844 WeakPolarHBondContact CD1-O 3.45Å; I831-T861 HydrophobicContact CD1-CG2 3.76Å; I831-T861 VanDerWaalsContact CD1-OG1 3.3Å; I831-T861 WeakPolarHBondContact CD1-OG1 3.2Å; I831-V866 HydrophobicContact CG2-CG1 4.43Å; I831-Y874 HydrophobicContact CG2-CD1 4.16Å; I831-V876 HydrophobicContact CG1-CG2 4.26Å; I831-L921 HydrophobicContact CD1-CD1 3.84Å; I831-L921 HydrophobicContact CG1-CD1 4.16Å; I831-L921 HydrophobicContact CG2-CD1 4.45Å
832	F	85.2	Confident	67.2	Low	24 Å²	24	47.5 Å²	47.5	11%	0.105	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	142.4	179.5	-69.4	-95.7	0	0	0	110.9	H830 V834 A839 E840 E841 Y874 A875 L882 L895	H830-F832 HydrophobicContact CB-CE2 3.79Å; H830-F832 HydrophobicContact CB-CZ 4.42Å; F832-V834 HydrophobicContact CB-CG1 4.21Å; F832-A839 HydrophobicContact CB-CB 4.25Å; F832-A839 HydrophobicContact CD1-CB 3.98Å; F832-A839 HydrophobicContact CG-CB 4.4Å; F832-E840 CarbonylContact C-O 3.41Å; F832-E840 WeakPolarHBondContact CA-O 3.38Å; F832-E840 WeakPolarHBondContact CD1-O 2.94Å; F832-E841 HydrophobicContact CD1-CB 4.42Å; F832-E841 HydrophobicContact CE1-CB 4.05Å; F832-Y874 WeakPolarHBondContact O-CA 3.21Å; F832-A875 PolarHBondContact N-O 2.88Å; F832-A875 PolarHBondContact O-N 2.77Å; F832-L882 HydrophobicContact CE2-CD2 4.33Å; F832-L882 HydrophobicContact CZ-CD2 3.82Å; F832-L895 HydrophobicContact CB-CD2 4.43Å; F832-L895 HydrophobicContact CD2-CD2 3.51Å; F832-L895 HydrophobicContact CE2-CD2 4.04Å; F832-L895 HydrophobicContact CG-CD2 4.13Å
833	D	84.2	Confident	69.4	Low	32 Å²	32	44.2 Å²	44.2	17%	0.171	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	125.7	161.2	-155.1	-49.1	0	0	0	107.8	S835 A839 E840 A842 K873	D833-S835 WeakPolarHBondContact OD1-CB 3.23Å; D833-S835 PolarHBondContact OD1-N 2.9Å; D833-S835 PolarHBondContact OD1-OG 2.84Å; D833-A839 WeakPolarHBondContact O-CA 3.12Å; D833-E840 PolarHBondContact N-O 2.91Å; D833-E840 PolarHBondContact O-N 3.03Å; D833-A842 HydrophobicContact CB-CB 4.07Å; D833-K873 WeakPolarHBondContact OD1-CG 3.35Å; D833-K873 IonicContact OD1-NZ 2.64Å; D833-K873 PolarHBondContact OD1-NZ 2.82Å; D833-K873 WeakPolarHBondContact OD2-CE 3.28Å; D833-K873 IonicContact OD2-NZ 3.65Å; D833-K873 PolarHBondContact OD2-NZ 2.97Å
834	V	82.8	Confident	70.9	Confident	40 Å²	40	40.6 Å²	40.6	24%	0.242	25%	0.25	C	S	.	.			trans	-123	34.2	-177.5	-62.9	0	0	0	0	111.3	F832 A839 K873 A875 L895	F832-V834 HydrophobicContact CB-CG1 4.21Å; V834-A839 HydrophobicContact CG1-CB 3.9Å; V834-K873 WeakPolarHBondContact CG2-O 3.44Å; V834-K873 PolarHBondContact N-O 3.05Å; V834-A875 HydrophobicContact CG1-CB 4.19Å; V834-A875 HydrophobicContact CG2-CB 4.4Å; V834-L895 HydrophobicContact CG1-CD1 4.37Å
835	S	73.3	Confident	72.3	Confident	61 Å²	61	39.1 Å²	39.1	43%	0.427	24%	0.241	S	C	.	.	S	Bend	trans	-74.8	-39	174.7	-54.8	0	0	0	0	113.1	D833 K873	D833-S835 WeakPolarHBondContact OD1-CB 3.23Å; D833-S835 PolarHBondContact OD1-N 2.9Å; D833-S835 PolarHBondContact OD1-OG 2.84Å; S835-K873 VanDerWaalsContact OG-CD 3.25Å; S835-K873 WeakPolarHBondContact OG-CD 3.37Å; S835-K873 WeakPolarHBondContact OG-CG 3.46Å; S835-K873 PolarHBondContact OG-NZ 3.02Å
836	D	66.2	Low	73.7	Confident	118 Å²	118	37.7 Å²	37.7	63%	0.631	23%	0.225	S	C	*	.	S	Bend	trans	-100.9	176.3	-172.8	-59.6	-63.8	0	0	0	110.6	S838	D836-S838 PolarHBondContact O-N 3.5Å
837	T	60.6	Low	75	Confident	154 Å²	154	37 Å²	37	95%	0.945	22%	0.219	S	C	*	.	S	Bend	trans	-67.9	1.1	-177.6	51.4	0	0	0	0	114.8
838	S	62.8	Low	76.1	Confident	66 Å²	66	38.8 Å²	38.8	46%	0.462	23%	0.225	S	C	.	.	S	Bend	trans	-138.5	130.6	175.9	53.2	0	0	0	0	110.5	D836 E840	D836-S838 PolarHBondContact O-N 3.5Å; S838-E840 PolarHBondContact O-N 2.9Å
839	A	67.1	Low	76.7	Confident	38 Å²	38	39.1 Å²	39.1	31%	0.314	23%	0.226	S	C	.	.			trans	-70.7	108	175.4	0	0	0	0	0	110.9	F832 D833 V834 L895	F832-A839 HydrophobicContact CB-CB 4.25Å; F832-A839 HydrophobicContact CD1-CB 3.98Å; F832-A839 HydrophobicContact CG-CB 4.4Å; D833-A839 WeakPolarHBondContact O-CA 3.12Å; V834-A839 HydrophobicContact CG1-CB 3.9Å; A839-L895 HydrophobicContact CB-CD1 4.44Å
840	E	70	Confident	76.5	Confident	127 Å²	127	42.1 Å²	42.1	59%	0.593	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	140.5	176.7	-65.2	-155.3	149.1	0	0	111.5	F832 D833 S838 A842	F832-E840 CarbonylContact C-O 3.41Å; F832-E840 WeakPolarHBondContact CA-O 3.38Å; F832-E840 WeakPolarHBondContact CD1-O 2.94Å; D833-E840 PolarHBondContact N-O 2.91Å; D833-E840 PolarHBondContact O-N 3.03Å; S838-E840 PolarHBondContact O-N 2.9Å; E840-A842 PolarHBondContact O-N 3.29Å
841	E	67.3	Low	76.1	Confident	57 Å²	57	47.2 Å²	47.2	27%	0.266	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	96.6	176.7	-175.3	170	-157.2	0	0	110.5	H830 F832	H830-E841 IonicContact CE1-OE1 3.72Å; H830-E841 IonicContact CG-OE1 3.74Å; H830-E841 IonicContact ND1-OE1 2.75Å; H830-E841 PolarHBondContact ND1-OE1 2.97Å; F832-E841 HydrophobicContact CD1-CB 4.42Å; F832-E841 HydrophobicContact CE1-CB 4.05Å
842	A	68.1	Low	75.7	Confident	26 Å²	26	51.4 Å²	51.4	22%	0.215	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-40.4	-173.9	0	0	0	0	0	113.1	I831 D833 E840 N1009	I831-A842 WeakPolarHBondContact O-CA 3.49Å; I831-A842 WeakPolarHBondContact O-CB 3.36Å; I831-A842 PolarHBondContact O-N 3.21Å; D833-A842 HydrophobicContact CB-CB 4.07Å; E840-A842 PolarHBondContact O-N 3.29Å; A842-N1009 PolarHBondContact O-ND2 3.26Å
843	C	80.8	Confident	75.5	Confident	4 Å²	4	56 Å²	56	3%	0.027	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	167.6	-174.6	-92.2	0	0	0	0	114.2	I831 C865 N1009	I831-C843 HydrophobicContact CB-CB 4.1Å; I831-C843 HydrophobicContact CD1-CB 4.01Å; I831-C843 PolarHBondContact N-O 2.8Å; I831-C843 PolarHBondContact O-N 3.16Å; C843-C865 HydrophobicContact CB-CB 3.61Å; C843-C865 WeakPolarHBondContact CB-SG 3.47Å; C843-C865 WeakPolarHBondContact SG-CA 3.37Å; C843-C865 WeakPolarHBondContact SG-CB 3.45Å; C843-C865 CovalentContact SG-SG 2.01Å; C843-C865 PolarHBondContact SG-SG 2.75Å; C843-N1009 HydrophobicContact CB-CB 4.3Å; C843-N1009 PolarHBondContact SG-ND2 3.25Å; C843-N1009 VanDerWaalsContact SG-ND2 3.41Å; C843-N1009 PolarHBondContact SG-OD1 2.86Å
844	T	80.6	Confident	75.4	Confident	8 Å²	8	58.4 Å²	58.4	5%	0.049	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	171.1	162.4	55	0	0	0	0	111.7	V829 I831 T861 V956 N1009 T1011	V829-T844 CarbonylContact O-C 3.56Å; V829-T844 WeakPolarHBondContact O-CA 3.43Å; I831-T844 VanDerWaalsContact CD1-O 3.23Å; I831-T844 WeakPolarHBondContact CD1-O 3.45Å; T844-T861 PolarHBondContact O-OG1 2.92Å; T844-V956 HydrophobicContact CG2-CG2 3.68Å; T844-N1009 WeakPolarHBondContact CG2-O 3.39Å; T844-N1009 PolarHBondContact OG1-O 2.9Å; T844-T1011 VanDerWaalsContact O-CG2 3.23Å; T844-T1011 WeakPolarHBondContact O-CG2 3.48Å; T844-T1011 PolarHBondContact OG1-N 3.19Å; T844-T1011 PolarHBondContact OG1-OG1 3.48Å
845	G	80.8	Confident	75.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	36%	0.358	C	S	.	.			trans	-153	-168.6	173.7	0	0	0	0	0	113.3	S827 V829 I860 T1011	S827-G845 PolarHBondContact OG-O 2.76Å; V829-G845 PolarHBondContact O-N 2.83Å; G845-I860 CarbonylContact C-O 3.41Å; G845-I860 WeakPolarHBondContact CA-O 3.36Å; G845-T1011 VanDerWaalsContact CA-OG1 3.25Å; G845-T1011 WeakPolarHBondContact CA-OG1 3.33Å; G845-T1011 PolarHBondContact N-OG1 3.13Å
846	T	81.4	Confident	76.2	Confident	7 Å²	7	57.7 Å²	57.7	4%	0.043	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	130.4	172.8	-60.9	0	0	0	0	110.4	Y848 V859 I860 F936 W1023	T846-Y848 PolarHBondContact O-N 3.1Å; T846-V859 CarbonylContact O-C 3.53Å; T846-V859 WeakPolarHBondContact O-CA 3.31Å; T846-I860 PolarHBondContact N-O 2.85Å; T846-I860 PolarHBondContact O-N 3.24Å; T846-F936 HydrophobicContact CG2-CD2 4.08Å; T846-W1023 HydrophobicContact CG2-CE3 4.06Å; T846-W1023 HydrophobicContact CG2-CH2 3.59Å; T846-W1023 HydrophobicContact CG2-CZ2 4.2Å; T846-W1023 HydrophobicContact CG2-CZ3 3.51Å; T846-W1023 WeakPolarHBondContact OG1-CZ3 3.49Å
847	L	84.4	Confident	77.4	Confident	1 Å²	1	53 Å²	53	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	109	175.5	-171.7	71.2	0	0	0	109.1	V829 V849 V859 V927 V933 S935	V829-L847 HydrophobicContact CG2-CB 4.15Å; L847-V849 HydrophobicContact CD2-CG2 4.3Å; L847-V849 HydrophobicContact CG-CG2 4.27Å; L847-V859 HydrophobicContact CD1-CG2 4.04Å; L847-V927 HydrophobicContact CD1-CB 4.45Å; L847-V927 HydrophobicContact CD2-CB 4.28Å; L847-V927 HydrophobicContact CD2-CG1 4.31Å; L847-V933 HydrophobicContact CD2-CG1 4.09Å; L847-S935 VanDerWaalsContact O-CA 3.26Å; L847-S935 WeakPolarHBondContact O-CA 3.46Å; L847-S935 VanDerWaalsContact O-CB 3.27Å; L847-S935 WeakPolarHBondContact O-CB 3.18Å
848	Y	84.2	Confident	78.8	Confident	47 Å²	47	47.1 Å²	47.1	18%	0.184	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.9	172.9	169.7	-107.3	0	0	0	109.1	T846 E850 S856 H858 I860 L938	T846-Y848 PolarHBondContact O-N 3.1Å; Y848-E850 HydrophobicContact CE1-CG 3.72Å; Y848-S856 WeakPolarHBondContact O-CB 3.38Å; Y848-S856 PolarHBondContact O-OG 3.5Å; Y848-H858 HydrophobicContact CD1-CB 4.27Å; Y848-H858 PolarHBondContact N-O 3.25Å; Y848-I860 HydrophobicContact CD2-CD1 4.45Å; Y848-I860 HydrophobicContact CG-CD1 4.2Å; Y848-L938 HydrophobicContact CD2-CD1 3.79Å; Y848-L938 HydrophobicContact CD2-CG 3.81Å; Y848-L938 HydrophobicContact CE2-CB 4.39Å; Y848-L938 HydrophobicContact CE2-CD1 3.57Å; Y848-L938 HydrophobicContact CE2-CG 3.77Å
849	V	81.5	Confident	80	Confident	10 Å²	10	44 Å²	44	6%	0.061	25%	0.254	C	S	.	.			trans	-124.2	128.3	173.6	175.8	0	0	0	0	108.1	L847 K853 A929 S935	L847-V849 HydrophobicContact CD2-CG2 4.3Å; L847-V849 HydrophobicContact CG-CG2 4.27Å; V849-K853 HydrophobicContact CG1-CB 4.06Å; V849-K853 WeakPolarHBondContact CG1-O 3.35Å; V849-A929 HydrophobicContact CG2-CB 4.19Å; V849-S935 WeakPolarHBondContact CB-OG 3.49Å; V849-S935 WeakPolarHBondContact CG2-OG 3.42Å
850	E	77	Confident	81	Confident	65 Å²	65	43 Å²	43	30%	0.304	24%	0.244	S	C	.	.			trans	-64.5	146.4	176	-62.6	169.3	-166.2	0	0	111.3	Y848 G852 K853	Y848-E850 HydrophobicContact CE1-CG 3.72Å; E850-G852 PolarHBondContact O-N 2.85Å; E850-K853 HydrophobicContact CB-CD 4.18Å; E850-K853 HydrophobicContact CB-CG 4.48Å; E850-K853 PolarHBondContact O-N 3.26Å; E850-K853 WeakPolarHBondContact OE2-CD 3.22Å; E850-K853 VanDerWaalsContact OE2-CE 3.25Å; E850-K853 WeakPolarHBondContact OE2-CE 3.47Å; E850-K853 IonicContact OE2-NZ 3.16Å; E850-K853 PolarHBondContact OE2-NZ 2.9Å
851	S	73.4	Confident	81.7	Confident	107 Å²	107	37 Å²	37	75%	0.748	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	128.3	178.4	-59.6	0	0	0	0	112.1	K853	S851-K853 VanDerWaalsContact C-N 3.32Å; S851-K853 PolarHBondContact O-N 3.16Å
852	G	77.7	Confident	82.4	Confident	87 Å²	87	34.2 Å²	34.2	90%	0.897	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	85	-13.1	-178.8	0	0	0	0	0	115.6	E850	E850-G852 PolarHBondContact O-N 2.85Å
853	K	81.5	Confident	83	Confident	122 Å²	122	33 Å²	33	53%	0.53	19%	0.192	S	C	.	.			trans	-88.7	152.7	175.7	-64.5	-174.2	-177.8	166.7	0	111.3	V849 E850 S851	V849-K853 HydrophobicContact CG1-CB 4.06Å; V849-K853 WeakPolarHBondContact CG1-O 3.35Å; E850-K853 HydrophobicContact CB-CD 4.18Å; E850-K853 HydrophobicContact CB-CG 4.48Å; E850-K853 PolarHBondContact O-N 3.26Å; E850-K853 WeakPolarHBondContact OE2-CD 3.22Å; E850-K853 VanDerWaalsContact OE2-CE 3.25Å; E850-K853 WeakPolarHBondContact OE2-CE 3.47Å; E850-K853 IonicContact OE2-NZ 3.16Å; E850-K853 PolarHBondContact OE2-NZ 2.9Å; S851-K853 VanDerWaalsContact C-N 3.32Å; S851-K853 PolarHBondContact O-N 3.16Å
854	T	81	Confident	82.9	Confident	82 Å²	82	34.8 Å²	34.8	50%	0.503	20%	0.199	S	C	.	.	S	Bend	trans	-114.6	1.8	176.9	54	0	0	0	0	113.1	K928 A929	T854-K928 WeakPolarHBondContact O-CG 3.32Å; T854-A929 PolarHBondContact O-N 2.79Å
855	Y	85.5	Confident	83	Confident	79 Å²	79	34.9 Å²	34.9	31%	0.31	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.3	-179.3	-72.5	-98	0	0	0	109.6	V330 V927 K928	V330-Y855 HydrophobicContact CG1-CE1 3.92Å; Y855-V927 CarbonylContact C-O 3.52Å; Y855-V927 VanDerWaalsContact CA-O 3.23Å; Y855-V927 WeakPolarHBondContact CA-O 3.47Å; Y855-K928 HydrophobicContact CD1-CB 3.83Å; Y855-K928 HydrophobicContact CD1-CG 4.18Å; Y855-K928 HydrophobicContact CD2-CG 4.4Å; Y855-K928 HydrophobicContact CE1-CB 3.53Å; Y855-K928 HydrophobicContact CE1-CD 4.29Å; Y855-K928 HydrophobicContact CE1-CG 3.8Å; Y855-K928 HydrophobicContact CE2-CD 4.29Å; Y855-K928 HydrophobicContact CE2-CG 4.02Å; Y855-K928 HydrophobicContact CG-CG 4.47Å
856	S	88.2	Confident	83.1	Confident	7 Å²	7	34.9 Å²	34.9	5%	0.049	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	147.1	171.2	-177.3	0	0	0	0	113.3	Y848 H858 V927	Y848-S856 WeakPolarHBondContact O-CB 3.38Å; Y848-S856 PolarHBondContact O-OG 3.5Å; S856-H858 PolarHBondContact OG-N 2.97Å; S856-V927 PolarHBondContact N-O 3.3Å; S856-V927 PolarHBondContact O-N 2.71Å
857	D	91.4	Very high	82.8	Confident	18 Å²	18	38.6 Å²	38.6	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	1.7	169.2	46	-32.2	0	0	0	112.6	K922 L923 K926	D857-K922 HydrophobicContact CB-CG 4.12Å; D857-K922 CarbonylContact O-C 3.56Å; D857-K922 VanDerWaalsContact O-CA 3.29Å; D857-K922 WeakPolarHBondContact O-CA 3.5Å; D857-K922 WeakPolarHBondContact OD2-CE 3Å; D857-K922 WeakPolarHBondContact OD2-CG 3.4Å; D857-L923 HydrophobicContact CB-CB 4.43Å; D857-L923 WeakPolarHBondContact O-CG 3.45Å; D857-L923 PolarHBondContact O-N 3.21Å; D857-K926 HydrophobicContact CB-CG 3.67Å; D857-K926 VanDerWaalsContact OD1-CE 3.27Å; D857-K926 WeakPolarHBondContact OD1-CE 3.23Å
858	H	89.9	Confident	82.5	Confident	32 Å²	32	41.3 Å²	41.3	15%	0.148	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.5	-171.4	-68	70.8	0	0	0	113	Y848 S856 R900 V920 L921	Y848-H858 HydrophobicContact CD1-CB 4.27Å; Y848-H858 PolarHBondContact N-O 3.25Å; S856-H858 PolarHBondContact OG-N 2.97Å; H858-R900 PolarHBondContact NE2-NH2 2.87Å; H858-V920 HydrophobicContact CB-CG1 4.47Å; H858-L921 WeakPolarHBondContact CA-O 3.47Å
859	V	89.1	Confident	82.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.7	175.3	170.5	0	0	0	0	110.2	V829 T846 L847 V876 V920 L921 L923	V829-V859 HydrophobicContact CG1-CG1 3.74Å; V829-V859 HydrophobicContact CG1-CG2 4.12Å; T846-V859 CarbonylContact O-C 3.53Å; T846-V859 WeakPolarHBondContact O-CA 3.31Å; L847-V859 HydrophobicContact CD1-CG2 4.04Å; V859-V876 HydrophobicContact CG2-CG1 4.41Å; V859-V920 CarbonylContact O-C 3.6Å; V859-V920 WeakPolarHBondContact O-CA 3.24Å; V859-L921 HydrophobicContact CB-CB 4.28Å; V859-L921 HydrophobicContact CB-CD1 4.43Å; V859-L921 HydrophobicContact CB-CG 4.45Å; V859-L921 HydrophobicContact CG1-CD1 4.2Å; V859-L921 PolarHBondContact N-O 3.1Å; V859-L921 PolarHBondContact O-N 3.07Å; V859-L923 HydrophobicContact CG2-CD1 3.96Å; V859-L923 HydrophobicContact CG2-CD2 4.35Å; V859-L923 HydrophobicContact CG2-CG 4.23Å
860	I	87.1	Confident	82.4	Confident	17 Å²	17	49 Å²	49	9%	0.087	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.1	174.9	-57.6	178.9	0	0	0	109	F538 G845 T846 Y848 V920 L938 V1025	F538-I860 HydrophobicContact CE2-CD1 4.29Å; G845-I860 CarbonylContact C-O 3.41Å; G845-I860 WeakPolarHBondContact CA-O 3.36Å; T846-I860 PolarHBondContact N-O 2.85Å; T846-I860 PolarHBondContact O-N 3.24Å; Y848-I860 HydrophobicContact CD2-CD1 4.45Å; Y848-I860 HydrophobicContact CG-CD1 4.2Å; I860-V920 HydrophobicContact CG1-CG2 4.5Å; I860-L938 HydrophobicContact CD1-CD1 4.14Å; I860-L938 HydrophobicContact CD1-CD2 3.91Å; I860-L938 HydrophobicContact CD1-CG 4.37Å; I860-V1025 HydrophobicContact CG2-CG2 4.16Å
861	T	85.8	Confident	83	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	-173.5	179.1	-170.6	0	0	0	0	110.1	I831 T844 C865 V866 A919 L921	I831-T861 HydrophobicContact CD1-CG2 3.76Å; I831-T861 VanDerWaalsContact CD1-OG1 3.3Å; I831-T861 WeakPolarHBondContact CD1-OG1 3.2Å; T844-T861 PolarHBondContact O-OG1 2.92Å; T861-C865 HydrophobicContact CG2-CB 4.39Å; T861-C865 PolarHBondContact OG1-SG 2.88Å; T861-C865 VanDerWaalsContact OG1-SG 3.32Å; T861-V866 HydrophobicContact CG2-CG2 4.35Å; T861-A919 HydrophobicContact CG2-CB 4.01Å; T861-A919 PolarHBondContact N-O 3.05Å; T861-A919 PolarHBondContact O-N 2.78Å; T861-L921 HydrophobicContact CG2-CD1 4.27Å; T861-L921 HydrophobicContact CG2-CD2 4.01Å; T861-L921 HydrophobicContact CG2-CG 4.08Å
862	A	80.3	Confident	83.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	147.6	176.5	0	0	0	0	0	112.8	R864 C865 V1025 F1027	A862-R864 VanDerWaalsContact C-N 3.25Å; A862-R864 HydrophobicContact CB-CG 3.86Å; A862-R864 PolarHBondContact O-N 2.85Å; A862-C865 VanDerWaalsContact O-CB 3.26Å; A862-C865 WeakPolarHBondContact O-CB 3.17Å; A862-C865 PolarHBondContact O-N 2.81Å; A862-C865 VanDerWaalsContact O-N 3.08Å; A862-V1025 HydrophobicContact CB-CG1 3.74Å; A862-F1027 HydrophobicContact CB-CE1 3.48Å; A862-F1027 VanDerWaalsContact CB-CE1 3.48Å; A862-F1027 HydrophobicContact CB-CZ 3.7Å
863	A	80.9	Confident	84	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-59.6	-36.2	176.1	0	0	0	0	0	112.5	C865 V866 W867 G917	A863-C865 PolarHBondContact O-N 2.76Å; A863-V866 PolarHBondContact O-N 2.96Å; A863-W867 HydrophobicContact CB-CE3 4.47Å; A863-W867 WeakPolarHBondContact O-CA 3.18Å; A863-W867 PolarHBondContact O-N 2.99Å; A863-G917 VanDerWaalsContact CB-C 3.45Å; A863-G917 PolarHBondContact N-O 3.32Å
864	R	78.7	Confident	84.5	Confident	42 Å²	42	37.1 Å²	37.1	16%	0.158	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-60.8	-22.6	175.4	64.1	172.9	68.1	171.8	1.5	114.9	A862 A915 M916 R1007 F1027	A862-R864 VanDerWaalsContact C-N 3.25Å; A862-R864 HydrophobicContact CB-CG 3.86Å; A862-R864 PolarHBondContact O-N 2.85Å; R864-A915 HydrophobicContact CB-CB 4.06Å; R864-A915 WeakPolarHBondContact CB-O 3.21Å; R864-A915 PolarHBondContact N-O 3.19Å; R864-A915 VanDerWaalsContact N-O 3.08Å; R864-M916 PolarHBondContact NH2-SD 3.36Å; R864-R1007 PolarHBondContact O-NH1 3.46Å; R864-F1027 VanDerWaalsContact CD-CE1 3.47Å; R864-F1027 HydrophobicContact CG-CE1 3.86Å; R864-F1027 HydrophobicContact CG-CZ 4.2Å; R864-F1027 VanDerWaalsContact CZ-CG 3.42Å; R864-F1027 VanDerWaalsContact NH1-CD1 3.35Å; R864-F1027 VanDerWaalsContact NH2-CD2 3.29Å
865	C	82.6	Confident	84.9	Confident	10 Å²	10	33.2 Å²	33.2	7%	0.068	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-70	-42.2	179.6	-70.2	0	0	0	0	112.6	C843 T861 A862 A863 Y874	C843-C865 HydrophobicContact CB-CB 3.61Å; C843-C865 WeakPolarHBondContact CB-SG 3.47Å; C843-C865 WeakPolarHBondContact SG-CA 3.37Å; C843-C865 WeakPolarHBondContact SG-CB 3.45Å; C843-C865 CovalentContact SG-SG 2.01Å; C843-C865 PolarHBondContact SG-SG 2.75Å; T861-C865 HydrophobicContact CG2-CB 4.39Å; T861-C865 PolarHBondContact OG1-SG 2.88Å; T861-C865 VanDerWaalsContact OG1-SG 3.32Å; A862-C865 VanDerWaalsContact O-CB 3.26Å; A862-C865 WeakPolarHBondContact O-CB 3.17Å; A862-C865 PolarHBondContact O-N 2.81Å; A862-C865 VanDerWaalsContact O-N 3.08Å; A863-C865 PolarHBondContact O-N 2.76Å; C865-Y874 PolarHBondContact O-OH 2.77Å
866	V	82.9	Confident	85.1	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-122.7	32.1	-166.6	-67.4	0	0	0	0	111.1	I831 T861 A863 S868 K869 Y874 I901 A919 L921	I831-V866 HydrophobicContact CG2-CG1 4.43Å; T861-V866 HydrophobicContact CG2-CG2 4.35Å; A863-V866 PolarHBondContact O-N 2.96Å; V866-S868 PolarHBondContact O-N 2.77Å; V866-S868 VanDerWaalsContact O-N 3.16Å; V866-K869 WeakPolarHBondContact O-CA 3.48Å; V866-K869 PolarHBondContact O-N 2.82Å; V866-Y874 HydrophobicContact CB-CD2 4.42Å; V866-Y874 HydrophobicContact CB-CE2 4.09Å; V866-Y874 HydrophobicContact CG1-CD1 4.09Å; V866-Y874 HydrophobicContact CG1-CD2 4.17Å; V866-Y874 HydrophobicContact CG1-CE1 4.13Å; V866-Y874 HydrophobicContact CG1-CE2 4.19Å; V866-Y874 HydrophobicContact CG1-CG 4.1Å; V866-I901 HydrophobicContact CB-CD1 4.19Å; V866-I901 HydrophobicContact CB-CG2 3.98Å; V866-I901 HydrophobicContact CG2-CG2 3.59Å; V866-A919 HydrophobicContact CG2-CB 3.42Å; V866-A919 VanDerWaalsContact CG2-CB 3.42Å; V866-L921 HydrophobicContact CB-CD2 4.19Å; V866-L921 HydrophobicContact CG1-CD2 3.78Å; V866-L921 HydrophobicContact CG2-CD2 3.83Å
867	W	76.6	Confident	85	Confident	84 Å²	84	30.9 Å²	30.9	32%	0.318	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.4	-165.8	-174.3	-114.6	0	0	0	114.2	A863 K869 T903 K914 A915	A863-W867 HydrophobicContact CB-CE3 4.47Å; A863-W867 WeakPolarHBondContact O-CA 3.18Å; A863-W867 PolarHBondContact O-N 2.99Å; W867-K869 WeakPolarHBondContact O-CG 3.38Å; W867-K869 PolarHBondContact O-N 3.25Å; W867-T903 HydrophobicContact CE3-CG2 4.49Å; W867-T903 HydrophobicContact CZ3-CG2 4.4Å; W867-K914 HydrophobicContact CH2-CB 3.56Å; W867-K914 HydrophobicContact CH2-CD 4.47Å; W867-K914 HydrophobicContact CH2-CG 4.39Å; W867-K914 HydrophobicContact CZ2-CB 3.53Å; W867-K914 HydrophobicContact CZ2-CD 4.08Å; W867-K914 HydrophobicContact CZ2-CG 4.35Å; W867-K914 HydrophobicContact CZ3-CB 4.36Å; W867-K914 WeakPolarHBondContact CZ3-O 3.36Å; W867-A915 HydrophobicContact CD2-CB 4.48Å
868	S	77.5	Confident	84.5	Confident	59 Å²	59	31.1 Å²	31.1	41%	0.413	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.9	172.7	65.5	0	0	0	0	113.7	V866 M870 Y874	V866-S868 PolarHBondContact O-N 2.77Å; V866-S868 VanDerWaalsContact O-N 3.16Å; S868-M870 PolarHBondContact O-N 3.18Å; S868-Y874 VanDerWaalsContact OG-CE2 3.24Å; S868-Y874 WeakPolarHBondContact OG-CE2 3.31Å; S868-Y874 PolarHBondContact OG-OH 2.9Å
869	K	78.2	Confident	83.7	Confident	94 Å²	94	30 Å²	30	41%	0.409	16%	0.16	S	C	.	.			trans	56.1	3	-176.5	-41.5	-168.3	-166.1	-168.9	0	115.9	V866 W867 S871 I901 T903	V866-K869 WeakPolarHBondContact O-CA 3.48Å; V866-K869 PolarHBondContact O-N 2.82Å; W867-K869 WeakPolarHBondContact O-CG 3.38Å; W867-K869 PolarHBondContact O-N 3.25Å; K869-S871 PolarHBondContact O-N 2.89Å; K869-I901 HydrophobicContact CB-CG2 4.48Å; K869-T903 HydrophobicContact CD-CG2 4.01Å; K869-T903 VanDerWaalsContact CE-OG1 3.28Å; K869-T903 WeakPolarHBondContact CE-OG1 3.27Å; K869-T903 HydrophobicContact CG-CG2 4.04Å; K869-T903 PolarHBondContact NZ-OG1 2.89Å
870	M	85.6	Confident	82.5	Confident	123 Å²	123	32.8 Å²	32.8	61%	0.606	18%	0.179	S	C	*	.			trans	-75.2	99.6	178.4	-175.8	-179	-68.4	0	0	109.3	S868 G872 K873 Y874	S868-M870 PolarHBondContact O-N 3.18Å; M870-G872 PolarHBondContact O-N 2.73Å; M870-K873 HydrophobicContact CB-CB 4.18Å; M870-K873 HydrophobicContact CG-CB 4.14Å; M870-K873 WeakPolarHBondContact O-CB 3.5Å; M870-K873 PolarHBondContact O-N 2.91Å; M870-K873 HydrophobicContact SD-CB 4.18Å; M870-Y874 WeakPolarHBondContact O-CD2 3.28Å
871	S	88.3	Confident	81.4	Confident	31 Å²	31	36.4 Å²	36.4	22%	0.217	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-63.3	-28.4	-173.6	53.3	0	0	0	0	113.9	K869 K873 Y874 E899	K869-S871 PolarHBondContact O-N 2.89Å; S871-K873 PolarHBondContact O-N 2.8Å; S871-Y874 PolarHBondContact O-N 2.93Å; S871-E899 WeakPolarHBondContact CB-O 3.35Å; S871-E899 PolarHBondContact OG-O 3.5Å
872	G	85.7	Confident	80.3	Confident	45 Å²	45	37.6 Å²	37.6	46%	0.464	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-64.3	-23.2	173.1	0	0	0	0	0	114.9	M870 Y874	M870-G872 PolarHBondContact O-N 2.73Å; G872-Y874 VanDerWaalsContact C-N 3.31Å; G872-Y874 PolarHBondContact O-N 3.11Å
873	K	87.8	Confident	79.2	Confident	48 Å²	48	39.7 Å²	39.7	21%	0.209	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-78.9	-9.1	178.5	162.5	166.3	176.3	77.9	0	113.4	D833 V834 S835 M870 S871	D833-K873 WeakPolarHBondContact OD1-CG 3.35Å; D833-K873 IonicContact OD1-NZ 2.64Å; D833-K873 PolarHBondContact OD1-NZ 2.82Å; D833-K873 WeakPolarHBondContact OD2-CE 3.28Å; D833-K873 IonicContact OD2-NZ 3.65Å; D833-K873 PolarHBondContact OD2-NZ 2.97Å; V834-K873 WeakPolarHBondContact CG2-O 3.44Å; V834-K873 PolarHBondContact N-O 3.05Å; S835-K873 VanDerWaalsContact OG-CD 3.25Å; S835-K873 WeakPolarHBondContact OG-CD 3.37Å; S835-K873 WeakPolarHBondContact OG-CG 3.46Å; S835-K873 PolarHBondContact OG-NZ 3.02Å; M870-K873 HydrophobicContact CB-CB 4.18Å; M870-K873 HydrophobicContact CG-CB 4.14Å; M870-K873 WeakPolarHBondContact O-CB 3.5Å; M870-K873 PolarHBondContact O-N 2.91Å; M870-K873 HydrophobicContact SD-CB 4.18Å; S871-K873 PolarHBondContact O-N 2.8Å
874	Y	90.7	Very high	78.1	Confident	8 Å²	8	46.7 Å²	46.7	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.4	-176.8	-55.9	-80.1	0	0	0	113.6	I831 F832 C865 V866 S868 M870 S871 G872 V898 I901	I831-Y874 HydrophobicContact CG2-CD1 4.16Å; F832-Y874 WeakPolarHBondContact O-CA 3.21Å; C865-Y874 PolarHBondContact O-OH 2.77Å; V866-Y874 HydrophobicContact CB-CD2 4.42Å; V866-Y874 HydrophobicContact CB-CE2 4.09Å; V866-Y874 HydrophobicContact CG1-CD1 4.09Å; V866-Y874 HydrophobicContact CG1-CD2 4.17Å; V866-Y874 HydrophobicContact CG1-CE1 4.13Å; V866-Y874 HydrophobicContact CG1-CE2 4.19Å; V866-Y874 HydrophobicContact CG1-CG 4.1Å; S868-Y874 VanDerWaalsContact OG-CE2 3.24Å; S868-Y874 WeakPolarHBondContact OG-CE2 3.31Å; S868-Y874 PolarHBondContact OG-OH 2.9Å; M870-Y874 WeakPolarHBondContact O-CD2 3.28Å; S871-Y874 PolarHBondContact O-N 2.93Å; G872-Y874 VanDerWaalsContact C-N 3.31Å; G872-Y874 PolarHBondContact O-N 3.11Å; Y874-V898 WeakPolarHBondContact O-CG2 3.3Å; Y874-V898 PolarHBondContact O-N 2.77Å; Y874-V898 VanDerWaalsContact O-N 3.14Å; Y874-I901 HydrophobicContact CD2-CD1 3.57Å; Y874-I901 HydrophobicContact CE2-CD1 3.99Å
875	A	90.2	Very high	76.8	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155.3	169.8	0	0	0	0	0	110.4	F832 V834 L895	F832-A875 PolarHBondContact N-O 2.88Å; F832-A875 PolarHBondContact O-N 2.77Å; V834-A875 HydrophobicContact CG1-CB 4.19Å; V834-A875 HydrophobicContact CG2-CB 4.4Å; A875-L895 HydrophobicContact CB-CB 3.99Å; A875-L895 HydrophobicContact CB-CD1 4.07Å; A875-L895 HydrophobicContact CB-CD2 4.12Å; A875-L895 HydrophobicContact CB-CG 4.3Å
876	V	89.7	Confident	75.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.4	-171.7	-176.2	0	0	0	0	110.7	V829 H830 I831 V859 V878 I896 V898 L921 L923	V829-V876 HydrophobicContact CG1-CG1 3.63Å; H830-V876 CarbonylContact O-C 3.51Å; H830-V876 VanDerWaalsContact O-CA 3.31Å; H830-V876 WeakPolarHBondContact O-CA 3.4Å; H830-V876 WeakPolarHBondContact O-CG1 3.24Å; I831-V876 HydrophobicContact CG1-CG2 4.26Å; V859-V876 HydrophobicContact CG2-CG1 4.41Å; V876-V878 HydrophobicContact CG1-CG2 3.93Å; V876-I896 PolarHBondContact N-O 3.29Å; V876-I896 PolarHBondContact O-N 3.14Å; V876-V898 HydrophobicContact CG2-CG2 4.01Å; V876-L921 HydrophobicContact CG2-CD1 3.91Å; V876-L923 HydrophobicContact CB-CD2 3.73Å; V876-L923 HydrophobicContact CG1-CD2 4.33Å; V876-L923 HydrophobicContact CG2-CD2 3.61Å
877	Y	85.6	Confident	74.2	Confident	37 Å²	37	60.6 Å²	60.6	15%	0.145	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	140.9	166.3	177.7	-105.5	0	0	0	109.9	V829 H830 L881 L882 P883	V829-Y877 WeakPolarHBondContact CA-O 3.4Å; H830-Y877 AromaticContact CD2-CD1 3.91Å; H830-Y877 PolarHBondContact N-O 3.41Å; H830-Y877 PolarHBondContact O-N 3.02Å; Y877-L881 VanDerWaalsContact CE1-O 3.3Å; Y877-L881 WeakPolarHBondContact CE1-O 3.34Å; Y877-L881 PolarHBondContact OH-O 2.01Å; Y877-L882 HydrophobicContact CD1-CD2 4.23Å; Y877-P883 HydrophobicContact CE2-CG 4.31Å
878	V	82.3	Confident	73.4	Confident	24 Å²	24	60.9 Å²	60.9	15%	0.145	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	101.2	179.1	-175	0	0	0	0	110.1	G828 V829 V876 V927 V933	G828-V878 CarbonylContact O-C 3.11Å; G828-V878 WeakPolarHBondContact O-CA 3.28Å; V829-V878 HydrophobicContact CG1-CG2 4.4Å; V829-V878 HydrophobicContact CG2-CG1 4.14Å; V829-V878 HydrophobicContact CG2-CG2 4.31Å; V876-V878 HydrophobicContact CG1-CG2 3.93Å; V878-V927 HydrophobicContact CB-CG1 4.18Å; V878-V927 HydrophobicContact CB-CG2 4.49Å; V878-V927 HydrophobicContact CG1-CG1 3.87Å; V878-V927 HydrophobicContact CG2-CG2 4.21Å; V878-V933 HydrophobicContact CG1-CB 4.4Å; V878-V933 HydrophobicContact CG1-CG1 3.31Å; V878-V933 HydrophobicContact CG1-CG2 4.15Å
879	G	73.1	Confident	72.5	Confident	8 Å²	8	63 Å²	63	8%	0.082	33%	0.334	C	S	.	.	S	Bend	trans	-178.3	155.8	-176.6	0	0	0	0	0	112.7	G828 L881	G828-G879 CarbonylContact C-O 3.47Å; G828-G879 VanDerWaalsContact CA-O 3.3Å; G828-G879 WeakPolarHBondContact CA-O 3.45Å; G828-G879 PolarHBondContact O-N 2.95Å; G879-L881 PolarHBondContact O-N 3.15Å
880	S	64	Low	71.8	Confident	59 Å²	59	63 Å²	63	41%	0.413	34%	0.336	S	S	.	.	S	Bend	trans	-79.7	5.6	-173.3	61.4	0	0	0	0	115.5	P962	S880-P962 VanDerWaalsContact O-CD 3.26Å; S880-P962 WeakPolarHBondContact O-CD 3.43Å; S880-P962 WeakPolarHBondContact O-CG 3.45Å
881	L	62.9	Low	70.8	Confident	92 Å²	92	59.5 Å²	59.5	48%	0.482	32%	0.319	S	S	.	.	S	Bend	trans	-146.2	121.1	179.4	-64.2	172.9	0	0	0	107.9	Y877 G879 P883 M961	Y877-L881 VanDerWaalsContact CE1-O 3.3Å; Y877-L881 WeakPolarHBondContact CE1-O 3.34Å; Y877-L881 PolarHBondContact OH-O 2.01Å; G879-L881 PolarHBondContact O-N 3.15Å; L881-P883 VanDerWaalsContact O-CD 3.23Å; L881-P883 WeakPolarHBondContact O-CD 3.29Å; L881-M961 HydrophobicContact CD2-CE 3.41Å; L881-M961 VanDerWaalsContact CD2-CE 3.41Å; L881-M961 HydrophobicContact CD2-SD 3.63Å
882	L	63.8	Low	69.7	Low	26 Å²	26	62.6 Å²	62.6	14%	0.136	33%	0.333	C	S	.	.			trans	-65.9	124.1	163.4	-82.3	170.6	0	0	0	108.8	H830 F832 Y877 R884 V956 G960	H830-L882 HydrophobicContact CB-CD2 4.14Å; H830-L882 VanDerWaalsContact CE1-CG 3.46Å; H830-L882 WeakPolarHBondContact CE1-CG 3.34Å; F832-L882 HydrophobicContact CE2-CD2 4.33Å; F832-L882 HydrophobicContact CZ-CD2 3.82Å; Y877-L882 HydrophobicContact CD1-CD2 4.23Å; L882-R884 VanDerWaalsContact C-N 3.25Å; L882-R884 PolarHBondContact O-N 3.32Å; L882-V956 HydrophobicContact CD1-CG1 4.01Å; L882-G960 WeakPolarHBondContact CB-O 3.25Å
883	P	56.8	Low	68.9	Low	44 Å²	44	67.2 Å²	67.2	29%	0.286	34%	0.341	S	S	.	.			trans	-75.5	77.2	177.8	-18	35.1	0	0	0	111.2	Y877 L881 Q885 M886	Y877-P883 HydrophobicContact CE2-CG 4.31Å; L881-P883 VanDerWaalsContact O-CD 3.23Å; L881-P883 WeakPolarHBondContact O-CD 3.29Å; P883-Q885 PolarHBondContact O-N 2.88Å; P883-M886 HydrophobicContact CB-CB 3.9Å; P883-M886 HydrophobicContact CB-CE 4.29Å; P883-M886 HydrophobicContact CB-CG 3.44Å; P883-M886 VanDerWaalsContact CB-CG 3.44Å; P883-M886 HydrophobicContact CB-SD 3.49Å; P883-M886 WeakPolarHBondContact CB-SD 3.18Å; P883-M886 HydrophobicContact CG-CE 4.26Å; P883-M886 HydrophobicContact CG-CG 4.28Å; P883-M886 HydrophobicContact CG-SD 3.63Å; P883-M886 PolarHBondContact O-N 3.4Å
884	R	56.4	Low	68.4	Low	146 Å²	146	66.6 Å²	66.6	55%	0.551	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	2.2	178.5	-77	-166.4	158.3	-168.6	0.1	115.6	L882 E958 H959 G960	L882-R884 VanDerWaalsContact C-N 3.25Å; L882-R884 PolarHBondContact O-N 3.32Å; R884-E958 VanDerWaalsContact CZ-O 3.23Å; R884-E958 PolarHBondContact NH1-O 3.08Å; R884-E958 PolarHBondContact NH2-O 3.28Å; R884-H959 WeakPolarHBondContact CD-O 3.06Å; R884-H959 PolarHBondContact NE-O 3.09Å; R884-H959 VanDerWaalsContact NH1-C 3.27Å; R884-H959 PolarHBondContact NH1-O 2.89Å; R884-G960 VanDerWaalsContact CZ-N 3.26Å; R884-G960 VanDerWaalsContact NH2-N 3.2Å
885	Q	52.6	Low	68.1	Low	197 Å²	197	67.1 Å²	67.1	92%	0.921	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.5	20.3	178.3	-63.8	-178.6	-15.9	0	0	112.3	P883	P883-Q885 PolarHBondContact O-N 2.88Å
886	M	54.8	Low	68.1	Low	64 Å²	64	67.8 Å²	67.8	32%	0.315	35%	0.348	S	S	.	.			trans	-75.2	140.6	165.9	-91.4	-178.4	169	0	0	110.7	P883 H890 I891 T894	P883-M886 HydrophobicContact CB-CB 3.9Å; P883-M886 HydrophobicContact CB-CE 4.29Å; P883-M886 HydrophobicContact CB-CG 3.44Å; P883-M886 VanDerWaalsContact CB-CG 3.44Å; P883-M886 HydrophobicContact CB-SD 3.49Å; P883-M886 WeakPolarHBondContact CB-SD 3.18Å; P883-M886 HydrophobicContact CG-CE 4.26Å; P883-M886 HydrophobicContact CG-CG 4.28Å; P883-M886 HydrophobicContact CG-SD 3.63Å; P883-M886 PolarHBondContact O-N 3.4Å; M886-H890 HydrophobicContact CB-CB 3.9Å; M886-H890 HydrophobicContact CE-CB 4.1Å; M886-H890 HydrophobicContact CG-CB 3.62Å; M886-H890 HydrophobicContact SD-CB 3.72Å; M886-I891 HydrophobicContact CB-CG1 3.86Å; M886-T894 HydrophobicContact CE-CG2 4.13Å; M886-T894 HydrophobicContact SD-CG2 4.45Å
887	T	55.3	Low	68.2	Low	83 Å²	83	72.2 Å²	72.2	51%	0.509	37%	0.368	S	S	.	.			trans	-65.2	156.6	162.6	51.1	0	0	0	0	110.2	D889 H890 I891	T887-D889 PolarHBondContact O-N 2.98Å; T887-H890 WeakPolarHBondContact O-CA 3.47Å; T887-H890 WeakPolarHBondContact O-CB 3.36Å; T887-H890 PolarHBondContact O-N 2.86Å; T887-I891 PolarHBondContact O-N 3.38Å; T887-I891 VanDerWaalsContact O-N 3.11Å
888	T	59.8	Low	68.6	Low	90 Å²	90	70.5 Å²	70.5	55%	0.552	36%	0.361	S	S	*	.	H	α-helix	trans	-50.4	-46.9	176.6	-39.9	0	0	0	0	111.2	H890 I891 D892	T888-H890 PolarHBondContact O-N 3.25Å; T888-I891 WeakPolarHBondContact O-CA 3.32Å; T888-I891 WeakPolarHBondContact O-CB 3.38Å; T888-I891 PolarHBondContact O-N 3.23Å; T888-D892 PolarHBondContact O-N 3.08Å
889	D	59.4	Low	69.1	Low	103 Å²	103	73.2 Å²	73.2	55%	0.551	37%	0.372	S	S	*	.	H	α-helix	trans	-51.1	-23.7	172.9	-61.6	25.5	0	0	0	115.8	T887 K893	T887-D889 PolarHBondContact O-N 2.98Å; D889-K893 WeakPolarHBondContact O-CD 3.26Å; D889-K893 WeakPolarHBondContact O-CE 3.21Å; D889-K893 WeakPolarHBondContact O-CG 3.43Å; D889-K893 PolarHBondContact O-NZ 2.95Å
890	H	63.6	Low	70	Confident	95 Å²	95	78.4 Å²	78.4	44%	0.44	39%	0.39	S	S	.	.	H	α-helix	trans	-98.7	-29.2	178	-83.5	-156.7	0	0	0	112.1	M886 T887 T888 K893 T894	M886-H890 HydrophobicContact CB-CB 3.9Å; M886-H890 HydrophobicContact CE-CB 4.1Å; M886-H890 HydrophobicContact CG-CB 3.62Å; M886-H890 HydrophobicContact SD-CB 3.72Å; T887-H890 WeakPolarHBondContact O-CA 3.47Å; T887-H890 WeakPolarHBondContact O-CB 3.36Å; T887-H890 PolarHBondContact O-N 2.86Å; T888-H890 PolarHBondContact O-N 3.25Å; H890-K893 PolarHBondContact O-N 2.87Å; H890-T894 WeakPolarHBondContact O-CG2 3.15Å; H890-T894 PolarHBondContact O-N 3.47Å; H890-T894 PolarHBondContact O-OG1 3.31Å
891	I	63.7	Low	71.2	Confident	50 Å²	50	76.5 Å²	76.5	26%	0.256	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-52.5	169.5	-64.3	174.8	0	0	0	108.7	M886 T887 T888 K893 T894 L895	M886-I891 HydrophobicContact CB-CG1 3.86Å; T887-I891 PolarHBondContact O-N 3.38Å; T887-I891 VanDerWaalsContact O-N 3.11Å; T888-I891 WeakPolarHBondContact O-CA 3.32Å; T888-I891 WeakPolarHBondContact O-CB 3.38Å; T888-I891 PolarHBondContact O-N 3.23Å; I891-K893 PolarHBondContact O-N 2.94Å; I891-K893 VanDerWaalsContact O-N 3.13Å; I891-T894 CarbonylContact O-C 3.53Å; I891-T894 PolarHBondContact O-N 3.32Å; I891-T894 PolarHBondContact O-OG1 3.49Å; I891-L895 HydrophobicContact CG2-CD1 3.52Å; I891-L895 HydrophobicContact CG2-CG 3.83Å; I891-L895 WeakPolarHBondContact O-CB 3.49Å; I891-L895 WeakPolarHBondContact O-CG 3.48Å; I891-L895 PolarHBondContact O-N 2.75Å
892	D	65.1	Low	72.3	Confident	96 Å²	96	75.8 Å²	75.8	51%	0.513	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.4	-179.7	-64.3	-22.6	0	0	0	113.7	T888	T888-D892 PolarHBondContact O-N 3.08Å
893	K	68.5	Low	73.1	Confident	141 Å²	141	75.6 Å²	75.6	61%	0.613	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-12.2	176.1	-69	178.4	-169.2	106.2	0	114	D889 H890 I891	D889-K893 WeakPolarHBondContact O-CD 3.26Å; D889-K893 WeakPolarHBondContact O-CE 3.21Å; D889-K893 WeakPolarHBondContact O-CG 3.43Å; D889-K893 PolarHBondContact O-NZ 2.95Å; H890-K893 PolarHBondContact O-N 2.87Å; I891-K893 PolarHBondContact O-N 2.94Å; I891-K893 VanDerWaalsContact O-N 3.13Å
894	T	77.6	Confident	73.8	Confident	36 Å²	36	77 Å²	77	22%	0.221	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-17.6	179.6	54.3	0	0	0	0	113.7	M886 H890 I891	M886-T894 HydrophobicContact CE-CG2 4.13Å; M886-T894 HydrophobicContact SD-CG2 4.45Å; H890-T894 WeakPolarHBondContact O-CG2 3.15Å; H890-T894 PolarHBondContact O-N 3.47Å; H890-T894 PolarHBondContact O-OG1 3.31Å; I891-T894 CarbonylContact O-C 3.53Å; I891-T894 PolarHBondContact O-N 3.32Å; I891-T894 PolarHBondContact O-OG1 3.49Å
895	L	85.4	Confident	74.2	Confident	18 Å²	18	71.2 Å²	71.2	9%	0.094	36%	0.36	C	S	.	.			trans	-68.7	141.1	168.2	-77.4	179.6	0	0	0	111.8	F832 V834 A839 A875 I891	F832-L895 HydrophobicContact CB-CD2 4.43Å; F832-L895 HydrophobicContact CD2-CD2 3.51Å; F832-L895 HydrophobicContact CE2-CD2 4.04Å; F832-L895 HydrophobicContact CG-CD2 4.13Å; V834-L895 HydrophobicContact CG1-CD1 4.37Å; A839-L895 HydrophobicContact CB-CD1 4.44Å; A875-L895 HydrophobicContact CB-CB 3.99Å; A875-L895 HydrophobicContact CB-CD1 4.07Å; A875-L895 HydrophobicContact CB-CD2 4.12Å; A875-L895 HydrophobicContact CB-CG 4.3Å; I891-L895 HydrophobicContact CG2-CD1 3.52Å; I891-L895 HydrophobicContact CG2-CG 3.83Å; I891-L895 WeakPolarHBondContact O-CB 3.49Å; I891-L895 WeakPolarHBondContact O-CG 3.48Å; I891-L895 PolarHBondContact O-N 2.75Å
896	I	90.1	Very high	74.6	Confident	15 Å²	15	63.2 Å²	63.2	8%	0.077	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	106	177.3	-51.9	176.5	0	0	0	108	V876 L923 H925 V927	V876-I896 PolarHBondContact N-O 3.29Å; V876-I896 PolarHBondContact O-N 3.14Å; I896-L923 HydrophobicContact CG2-CB 3.86Å; I896-L923 HydrophobicContact CG2-CD1 4.35Å; I896-L923 HydrophobicContact CG2-CG 4.47Å; I896-H925 HydrophobicContact CG2-CB 4.09Å; I896-V927 HydrophobicContact CD1-CG2 3.31Å
897	H	91.5	Very high	74.8	Confident	93 Å²	93	60.5 Å²	60.5	43%	0.431	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	143.8	177.1	-66.9	-77.1	0	0	0	112.1	R924	H897-R924 HydrophobicContact CB-CG 4.49Å; H897-R924 WeakPolarHBondContact O-CG 3.26Å; H897-R924 PolarHBondContact O-N 2.84Å
898	V	93.2	Very high	74.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	143.9	171.9	-177.2	0	0	0	0	109.7	Y874 V876 R900 I901 L921 K922 L923 R924	Y874-V898 WeakPolarHBondContact O-CG2 3.3Å; Y874-V898 PolarHBondContact O-N 2.77Å; Y874-V898 VanDerWaalsContact O-N 3.14Å; V876-V898 HydrophobicContact CG2-CG2 4.01Å; V898-R900 VanDerWaalsContact CG1-O 3.28Å; V898-R900 WeakPolarHBondContact CG1-O 3.42Å; V898-I901 HydrophobicContact CG1-CD1 4.31Å; V898-I901 HydrophobicContact CG1-CG1 3.66Å; V898-L921 HydrophobicContact CG1-CB 4.17Å; V898-L921 HydrophobicContact CG2-CB 4.37Å; V898-L921 HydrophobicContact CG2-CD1 4.21Å; V898-K922 WeakPolarHBondContact CG1-O 3.48Å; V898-L923 HydrophobicContact CG2-CD2 4.5Å; V898-R924 PolarHBondContact O-NE 2.82Å
899	E	92.9	Very high	73.8	Confident	81 Å²	81	59.6 Å²	59.6	38%	0.379	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-56.6	172.9	-174.4	-169.1	120.2	0	0	110	S871 K922 R924	S871-E899 WeakPolarHBondContact CB-O 3.35Å; S871-E899 PolarHBondContact OG-O 3.5Å; E899-K922 WeakPolarHBondContact CB-O 3.43Å; E899-K922 PolarHBondContact N-O 3.08Å; E899-K922 WeakPolarHBondContact OE1-CD 2.88Å; E899-K922 IonicContact OE1-NZ 3.88Å; E899-K922 PolarHBondContact OE1-NZ 3.46Å; E899-K922 WeakPolarHBondContact OE2-CE 3.3Å; E899-K922 IonicContact OE2-NZ 2.7Å; E899-K922 PolarHBondContact OE2-NZ 2.88Å; E899-R924 HydrophobicContact CB-CG 3.84Å; E899-R924 HydrophobicContact CG-CG 4.49Å
900	R	92.2	Very high	73.2	Confident	118 Å²	118	57.6 Å²	57.6	45%	0.445	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.5	179.9	58.2	166.1	-163.7	-163.9	-0.3	111.4	H858 V898 N902 K922	H858-R900 PolarHBondContact NE2-NH2 2.87Å; V898-R900 VanDerWaalsContact CG1-O 3.28Å; V898-R900 WeakPolarHBondContact CG1-O 3.42Å; R900-N902 VanDerWaalsContact CD-OD1 3.32Å; R900-N902 WeakPolarHBondContact CD-OD1 3.28Å; R900-N902 PolarHBondContact NE-OD1 2.98Å; R900-K922 HydrophobicContact CG-CB 3.5Å; R900-K922 VanDerWaalsContact CG-CB 3.5Å; R900-K922 HydrophobicContact CG-CD 4.21Å; R900-K922 HydrophobicContact CG-CG 4.49Å; R900-K922 PolarHBondContact O-N 2.81Å
901	I	90.6	Very high	72.7	Confident	18 Å²	18	56.3 Å²	56.3	9%	0.092	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.9	178.7	-63.9	168.8	0	0	0	108.7	V866 K869 Y874 V898 T903 L921	V866-I901 HydrophobicContact CB-CD1 4.19Å; V866-I901 HydrophobicContact CB-CG2 3.98Å; V866-I901 HydrophobicContact CG2-CG2 3.59Å; K869-I901 HydrophobicContact CB-CG2 4.48Å; Y874-I901 HydrophobicContact CD2-CD1 3.57Å; Y874-I901 HydrophobicContact CE2-CD1 3.99Å; V898-I901 HydrophobicContact CG1-CD1 4.31Å; V898-I901 HydrophobicContact CG1-CG1 3.66Å; I901-T903 HydrophobicContact CG2-CG2 4.06Å; I901-L921 HydrophobicContact CG1-CD2 4.07Å; I901-L921 HydrophobicContact CG2-CD2 4.23Å
902	N	86.2	Confident	72	Confident	77 Å²	77	60.8 Å²	60.8	41%	0.412	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	95.6	178.5	-71.8	89.6	0	0	0	109.6	R900 A919 V920	R900-N902 VanDerWaalsContact CD-OD1 3.32Å; R900-N902 WeakPolarHBondContact CD-OD1 3.28Å; R900-N902 PolarHBondContact NE-OD1 2.98Å; N902-A919 CarbonylContact O-C 3.54Å; N902-A919 WeakPolarHBondContact O-CA 3.34Å; N902-V920 HydrophobicContact CB-CB 4.44Å; N902-V920 PolarHBondContact N-O 3.29Å; N902-V920 PolarHBondContact O-N 2.83Å
903	T	80.7	Confident	71.4	Confident	22 Å²	22	58.6 Å²	58.6	14%	0.135	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.1	175	60.2	0	0	0	0	111.4	W867 K869 I901 A919	W867-T903 HydrophobicContact CE3-CG2 4.49Å; W867-T903 HydrophobicContact CZ3-CG2 4.4Å; K869-T903 HydrophobicContact CD-CG2 4.01Å; K869-T903 VanDerWaalsContact CE-OG1 3.28Å; K869-T903 WeakPolarHBondContact CE-OG1 3.27Å; K869-T903 HydrophobicContact CG-CG2 4.04Å; K869-T903 PolarHBondContact NZ-OG1 2.89Å; I901-T903 HydrophobicContact CG2-CG2 4.06Å; T903-A919 HydrophobicContact CG2-CB 4.28Å
904	V	70.3	Confident	70.8	Confident	74 Å²	74	54.7 Å²	54.7	45%	0.448	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	99	165.3	-176.6	0	0	0	0	108	G917 M918	V904-G917 VanDerWaalsContact O-CA 3.24Å; V904-G917 WeakPolarHBondContact O-CA 3.42Å; V904-M918 HydrophobicContact CB-CG 3.86Å; V904-M918 HydrophobicContact CG2-CG 4.4Å; V904-M918 PolarHBondContact N-O 2.86Å; V904-M918 PolarHBondContact O-N 3.08Å; V904-M918 VanDerWaalsContact O-N 3.11Å
905	P	65.3	Low	70	Confident	24 Å²	24	53.5 Å²	53.5	16%	0.156	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	141	178.5	33.7	-34	0	0	0	110.8	Y907 K914	P905-Y907 VanDerWaalsContact C-N 3.28Å; P905-Y907 PolarHBondContact O-N 2.68Å; P905-K914 VanDerWaalsContact CB-O 3.28Å; P905-K914 WeakPolarHBondContact CB-O 3.48Å
906	F	59.8	Low	69	Low	30 Å²	30	54.7 Å²	54.7	13%	0.132	29%	0.291	C	S	.	.	S	Bend	trans	-75.5	-19.1	175.2	-63.8	-51.8	0	0	0	113.2	H536 M916 G917 M918 L987	H536-F906 HydrophobicContact CB-CE2 4.18Å; H536-F906 HydrophobicContact CB-CZ 4.06Å; H536-F906 AromaticContact CE1-CD2 3.98Å; H536-F906 AromaticContact CE1-CE2 3.54Å; H536-F906 AromaticContact CG-CE2 3.65Å; H536-F906 AromaticContact ND1-CD2 3.99Å; H536-F906 AromaticContact ND1-CE2 3.19Å; H536-F906 WeakPolarHBondContact ND1-CE2 3.23Å; H536-F906 AromaticContact ND1-CZ 3.68Å; F906-M916 HydrophobicContact CD2-CB 4.24Å; F906-M916 WeakPolarHBondContact CD2-O 3.48Å; F906-M916 PolarHBondContact N-O 2.73Å; F906-G917 VanDerWaalsContact CE2-CA 3.45Å; F906-M918 HydrophobicContact CE1-CE 3.78Å; F906-M918 HydrophobicContact CZ-CE 3.77Å; F906-L987 HydrophobicContact CB-CD1 4.03Å; F906-L987 HydrophobicContact CD1-CD1 4.06Å; F906-L987 HydrophobicContact CD1-CD2 4.22Å; F906-L987 HydrophobicContact CE1-CD2 4.42Å; F906-L987 HydrophobicContact CG-CD1 4.12Å
907	Y	59.7	Low	68	Low	7 Å²	7	54 Å²	54	3%	0.027	29%	0.289	C	S	.	.			trans	-138.6	88.7	-178.8	-56.4	-88.5	0	0	0	109.8	I159 A163 P905 E909 L913 K914 M916 F984	I159-Y907 HydrophobicContact CD1-CE1 4.44Å; A163-Y907 HydrophobicContact CB-CD1 4.33Å; P905-Y907 VanDerWaalsContact C-N 3.28Å; P905-Y907 PolarHBondContact O-N 2.68Å; Y907-E909 PolarHBondContact O-N 3.23Å; Y907-E909 VanDerWaalsContact O-N 3.14Å; Y907-L913 HydrophobicContact CD1-CD1 4.37Å; Y907-L913 HydrophobicContact CD2-CB 3.75Å; Y907-L913 HydrophobicContact CD2-CD1 4.39Å; Y907-L913 HydrophobicContact CG-CB 3.8Å; Y907-L913 HydrophobicContact CG-CD1 4.18Å; Y907-K914 WeakPolarHBondContact O-CA 3.48Å; Y907-K914 WeakPolarHBondContact O-CG 3.49Å; Y907-M916 HydrophobicContact CD2-CB 4.44Å; Y907-F984 WeakPolarHBondContact OH-CD1 3.12Å; Y907-F984 WeakPolarHBondContact OH-CD2 3.3Å; Y907-F984 VanDerWaalsContact OH-CE2 3.32Å; Y907-F984 WeakPolarHBondContact OH-CE2 3.42Å; Y907-F984 WeakPolarHBondContact OH-CG 3.44Å
908	A	48	Very low	67.3	Low	64 Å²	64	50.1 Å²	50.1	53%	0.529	27%	0.27	S	S	.	.	S	Bend	trans	-61	-24.3	-174.4	0	0	0	0	0	114.3	K914	A908-K914 WeakPolarHBondContact O-CE 3.23Å; A908-K914 WeakPolarHBondContact O-CG 3.25Å; A908-K914 PolarHBondContact O-NZ 3.01Å
909	E	46.5	Very low	66.8	Low	90 Å²	90	50.1 Å²	50.1	42%	0.421	27%	0.27	S	S	.	.	S	Bend	trans	-91.4	-32.6	-171.3	-63.6	-170.2	-177.6	0	0	114.6	N164 Y907 K914	N164-E909 WeakPolarHBondContact CB-OE2 3.23Å; Y907-E909 PolarHBondContact O-N 3.23Å; Y907-E909 VanDerWaalsContact O-N 3.14Å; E909-K914 VanDerWaalsContact C-CE 3.43Å; E909-K914 WeakPolarHBondContact O-CE 3.31Å; E909-K914 PolarHBondContact O-NZ 2.94Å
910	H	47.6	Very low	66.7	Low	60 Å²	60	47.8 Å²	47.8	28%	0.278	26%	0.262	S	S	.	.			trans	-104.7	116.9	-164.7	-75.8	62.2	0	0	0	112.9	R162 N164 D912 L913 K914	R162-H910 PolarHBondContact O-CD2 2.9Å; N164-H910 PolarHBondContact N-NE2 2.92Å; H910-D912 PolarHBondContact O-N 2.77Å; H910-L913 HydrophobicContact CB-CB 4.16Å; H910-L913 HydrophobicContact CB-CD1 4.35Å; H910-L913 HydrophobicContact CB-CG 4.49Å; H910-L913 CarbonylContact O-C 3.42Å; H910-L913 PolarHBondContact O-N 2.64Å; H910-K914 WeakPolarHBondContact O-CG 3.19Å; H910-K914 PolarHBondContact O-N 2.91Å
911	A	51.3	Low	66.7	Low	68 Å²	68	42.2 Å²	42.2	56%	0.562	24%	0.241	S	C	*	.	H	α-helix	trans	-49.1	-49	-166.2	0	0	0	0	0	114.9	L913 K914	A911-L913 VanDerWaalsContact C-N 3.35Å; A911-L913 PolarHBondContact O-N 3.18Å; A911-K914 PolarHBondContact O-N 3Å
912	D	49.8	Very low	66.8	Low	145 Å²	145	43.3 Å²	43.3	78%	0.775	25%	0.245	S	C	*	.	H	α-helix	trans	-71.1	-32	-178.3	-46.4	-58.8	0	0	0	112.5	H910	H910-D912 PolarHBondContact O-N 2.77Å
913	L	53.4	Low	67.2	Low	50 Å²	50	39.7 Å²	39.7	26%	0.262	23%	0.225	S	C	.	.	H	α-helix	trans	-89	-16.7	-179.9	-60	-180	0	0	0	113.2	A163 Y907 H910 A911 A915 M916	A163-L913 HydrophobicContact CB-CD1 4.28Å; Y907-L913 HydrophobicContact CD1-CD1 4.37Å; Y907-L913 HydrophobicContact CD2-CB 3.75Å; Y907-L913 HydrophobicContact CD2-CD1 4.39Å; Y907-L913 HydrophobicContact CG-CB 3.8Å; Y907-L913 HydrophobicContact CG-CD1 4.18Å; H910-L913 HydrophobicContact CB-CB 4.16Å; H910-L913 HydrophobicContact CB-CD1 4.35Å; H910-L913 HydrophobicContact CB-CG 4.49Å; H910-L913 CarbonylContact O-C 3.42Å; H910-L913 PolarHBondContact O-N 2.64Å; A911-L913 VanDerWaalsContact C-N 3.35Å; A911-L913 PolarHBondContact O-N 3.18Å; L913-A915 PolarHBondContact O-N 3.09Å; L913-M916 HydrophobicContact CD2-CE 4.4Å; L913-M916 HydrophobicContact CD2-CG 4.03Å; L913-M916 WeakPolarHBondContact O-CA 3.31Å; L913-M916 VanDerWaalsContact O-CB 3.23Å; L913-M916 WeakPolarHBondContact O-CB 3.42Å; L913-M916 PolarHBondContact O-N 2.84Å
914	K	54.3	Low	67.7	Low	58 Å²	58	45.3 Å²	45.3	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-60.5	-31	169.7	-76.2	174.2	-137.9	-102.3	0	111.1	W867 P905 Y907 A908 E909 H910 A911 M916	W867-K914 HydrophobicContact CH2-CB 3.56Å; W867-K914 HydrophobicContact CH2-CD 4.47Å; W867-K914 HydrophobicContact CH2-CG 4.39Å; W867-K914 HydrophobicContact CZ2-CB 3.53Å; W867-K914 HydrophobicContact CZ2-CD 4.08Å; W867-K914 HydrophobicContact CZ2-CG 4.35Å; W867-K914 HydrophobicContact CZ3-CB 4.36Å; W867-K914 WeakPolarHBondContact CZ3-O 3.36Å; P905-K914 VanDerWaalsContact CB-O 3.28Å; P905-K914 WeakPolarHBondContact CB-O 3.48Å; Y907-K914 WeakPolarHBondContact O-CA 3.48Å; Y907-K914 WeakPolarHBondContact O-CG 3.49Å; A908-K914 WeakPolarHBondContact O-CE 3.23Å; A908-K914 WeakPolarHBondContact O-CG 3.25Å; A908-K914 PolarHBondContact O-NZ 3.01Å; E909-K914 VanDerWaalsContact C-CE 3.43Å; E909-K914 WeakPolarHBondContact O-CE 3.31Å; E909-K914 PolarHBondContact O-NZ 2.94Å; H910-K914 WeakPolarHBondContact O-CG 3.19Å; H910-K914 PolarHBondContact O-N 2.91Å; A911-K914 PolarHBondContact O-N 3Å; K914-M916 VanDerWaalsContact C-N 3.3Å
915	A	61.6	Low	68.6	Low	11 Å²	11	45.2 Å²	45.2	9%	0.091	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-14.3	173.3	0	0	0	0	0	113.6	R864 W867 L913 G917	R864-A915 HydrophobicContact CB-CB 4.06Å; R864-A915 WeakPolarHBondContact CB-O 3.21Å; R864-A915 PolarHBondContact N-O 3.19Å; R864-A915 VanDerWaalsContact N-O 3.08Å; W867-A915 HydrophobicContact CD2-CB 4.48Å; L913-A915 PolarHBondContact O-N 3.09Å; A915-G917 PolarHBondContact O-N 2.04Å
916	M	63.6	Low	69.8	Low	43 Å²	43	49.4 Å²	49.4	21%	0.212	26%	0.255	C	S	.	.	S	Bend	trans	-76.8	112.8	166.6	-58.5	-72.7	-167.1	0	0	108.1	R864 F906 Y907 L913 K914 F1027	R864-M916 PolarHBondContact NH2-SD 3.36Å; F906-M916 HydrophobicContact CD2-CB 4.24Å; F906-M916 WeakPolarHBondContact CD2-O 3.48Å; F906-M916 PolarHBondContact N-O 2.73Å; Y907-M916 HydrophobicContact CD2-CB 4.44Å; L913-M916 HydrophobicContact CD2-CE 4.4Å; L913-M916 HydrophobicContact CD2-CG 4.03Å; L913-M916 WeakPolarHBondContact O-CA 3.31Å; L913-M916 VanDerWaalsContact O-CB 3.23Å; L913-M916 WeakPolarHBondContact O-CB 3.42Å; L913-M916 PolarHBondContact O-N 2.84Å; K914-M916 VanDerWaalsContact C-N 3.3Å; M916-F1027 HydrophobicContact SD-CD2 4.36Å; M916-F1027 HydrophobicContact SD-CE2 4.22Å
917	G	68.8	Low	71	Confident	2 Å²	2	49 Å²	49	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.6	-178.8	-173.5	0	0	0	0	0	112.1	A863 V904 F906 A915	A863-G917 VanDerWaalsContact CB-C 3.45Å; A863-G917 PolarHBondContact N-O 3.32Å; V904-G917 VanDerWaalsContact O-CA 3.24Å; V904-G917 WeakPolarHBondContact O-CA 3.42Å; F906-G917 VanDerWaalsContact CE2-CA 3.45Å; A915-G917 PolarHBondContact O-N 2.04Å
918	M	77.3	Confident	72	Confident	10 Å²	10	53.6 Å²	53.6	5%	0.049	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	157.5	170.6	63.8	-164.9	77	0	0	110.2	T537 F538 V904 F906	T537-M918 VanDerWaalsContact O-CE 3.22Å; T537-M918 WeakPolarHBondContact O-CE 3.48Å; F538-M918 HydrophobicContact CD2-SD 3.38Å; F538-M918 WeakPolarHBondContact CD2-SD 3.46Å; F538-M918 HydrophobicContact CE2-SD 3.84Å; F538-M918 HydrophobicContact CG-SD 4.19Å; V904-M918 HydrophobicContact CB-CG 3.86Å; V904-M918 HydrophobicContact CG2-CG 4.4Å; V904-M918 PolarHBondContact N-O 2.86Å; V904-M918 PolarHBondContact O-N 3.08Å; V904-M918 VanDerWaalsContact O-N 3.11Å; F906-M918 HydrophobicContact CE1-CE 3.78Å; F906-M918 HydrophobicContact CZ-CE 3.77Å
919	A	83.6	Confident	73.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142	168	0	0	0	0	0	110.7	T861 V866 N902 T903	T861-A919 HydrophobicContact CG2-CB 4.01Å; T861-A919 PolarHBondContact N-O 3.05Å; T861-A919 PolarHBondContact O-N 2.78Å; V866-A919 HydrophobicContact CG2-CB 3.42Å; V866-A919 VanDerWaalsContact CG2-CB 3.42Å; N902-A919 CarbonylContact O-C 3.54Å; N902-A919 WeakPolarHBondContact O-CA 3.34Å; T903-A919 HydrophobicContact CG2-CB 4.28Å
920	V	89.5	Confident	74.1	Confident	33 Å²	33	50.9 Å²	50.9	20%	0.2	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.1	169.8	-174.4	0	0	0	0	107.7	F538 H858 V859 I860 N902	F538-V920 HydrophobicContact CE2-CG2 4.41Å; H858-V920 HydrophobicContact CB-CG1 4.47Å; V859-V920 CarbonylContact O-C 3.6Å; V859-V920 WeakPolarHBondContact O-CA 3.24Å; I860-V920 HydrophobicContact CG1-CG2 4.5Å; N902-V920 HydrophobicContact CB-CB 4.44Å; N902-V920 PolarHBondContact N-O 3.29Å; N902-V920 PolarHBondContact O-N 2.83Å
921	L	91.9	Very high	74.4	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.1	171.5	-38.3	-178.7	0	0	0	107.5	I831 H858 V859 T861 V866 V876 V898 I901	I831-L921 HydrophobicContact CD1-CD1 3.84Å; I831-L921 HydrophobicContact CG1-CD1 4.16Å; I831-L921 HydrophobicContact CG2-CD1 4.45Å; H858-L921 WeakPolarHBondContact CA-O 3.47Å; V859-L921 HydrophobicContact CB-CB 4.28Å; V859-L921 HydrophobicContact CB-CD1 4.43Å; V859-L921 HydrophobicContact CB-CG 4.45Å; V859-L921 HydrophobicContact CG1-CD1 4.2Å; V859-L921 PolarHBondContact N-O 3.1Å; V859-L921 PolarHBondContact O-N 3.07Å; T861-L921 HydrophobicContact CG2-CD1 4.27Å; T861-L921 HydrophobicContact CG2-CD2 4.01Å; T861-L921 HydrophobicContact CG2-CG 4.08Å; V866-L921 HydrophobicContact CB-CD2 4.19Å; V866-L921 HydrophobicContact CG1-CD2 3.78Å; V866-L921 HydrophobicContact CG2-CD2 3.83Å; V876-L921 HydrophobicContact CG2-CD1 3.91Å; V898-L921 HydrophobicContact CG1-CB 4.17Å; V898-L921 HydrophobicContact CG2-CB 4.37Å; V898-L921 HydrophobicContact CG2-CD1 4.21Å; I901-L921 HydrophobicContact CG1-CD2 4.07Å; I901-L921 HydrophobicContact CG2-CD2 4.23Å
922	K	93.9	Very high	74.5	Confident	41 Å²	41	55.2 Å²	55.2	18%	0.178	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.7	160.2	-167.5	-167.5	172.7	-143.5	0	108.3	D857 V898 E899 R900	D857-K922 HydrophobicContact CB-CG 4.12Å; D857-K922 CarbonylContact O-C 3.56Å; D857-K922 VanDerWaalsContact O-CA 3.29Å; D857-K922 WeakPolarHBondContact O-CA 3.5Å; D857-K922 WeakPolarHBondContact OD2-CE 3Å; D857-K922 WeakPolarHBondContact OD2-CG 3.4Å; V898-K922 WeakPolarHBondContact CG1-O 3.48Å; E899-K922 WeakPolarHBondContact CB-O 3.43Å; E899-K922 PolarHBondContact N-O 3.08Å; E899-K922 WeakPolarHBondContact OE1-CD 2.88Å; E899-K922 IonicContact OE1-NZ 3.88Å; E899-K922 PolarHBondContact OE1-NZ 3.46Å; E899-K922 WeakPolarHBondContact OE2-CE 3.3Å; E899-K922 IonicContact OE2-NZ 2.7Å; E899-K922 PolarHBondContact OE2-NZ 2.88Å; R900-K922 HydrophobicContact CG-CB 3.5Å; R900-K922 VanDerWaalsContact CG-CB 3.5Å; R900-K922 HydrophobicContact CG-CD 4.21Å; R900-K922 HydrophobicContact CG-CG 4.49Å; R900-K922 PolarHBondContact O-N 2.81Å
923	L	93.7	Very high	74.9	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	145.2	175.4	-56.9	-177.4	0	0	0	110.2	D857 V859 V876 I896 V898 H925 V927	D857-L923 HydrophobicContact CB-CB 4.43Å; D857-L923 WeakPolarHBondContact O-CG 3.45Å; D857-L923 PolarHBondContact O-N 3.21Å; V859-L923 HydrophobicContact CG2-CD1 3.96Å; V859-L923 HydrophobicContact CG2-CD2 4.35Å; V859-L923 HydrophobicContact CG2-CG 4.23Å; V876-L923 HydrophobicContact CB-CD2 3.73Å; V876-L923 HydrophobicContact CG1-CD2 4.33Å; V876-L923 HydrophobicContact CG2-CD2 3.61Å; I896-L923 HydrophobicContact CG2-CB 3.86Å; I896-L923 HydrophobicContact CG2-CD1 4.35Å; I896-L923 HydrophobicContact CG2-CG 4.47Å; V898-L923 HydrophobicContact CG2-CD2 4.5Å; L923-H925 WeakPolarHBondContact CB-O 3.43Å; L923-H925 PolarHBondContact O-N 2.75Å; L923-V927 HydrophobicContact CD1-CG2 3.87Å
924	R	91.6	Very high	75.2	Confident	140 Å²	140	50.1 Å²	50.1	53%	0.528	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	-16.6	175.4	-67.1	-175.1	-169.5	-156.2	0.4	114.1	H897 V898 E899	H897-R924 HydrophobicContact CB-CG 4.49Å; H897-R924 WeakPolarHBondContact O-CG 3.26Å; H897-R924 PolarHBondContact O-N 2.84Å; V898-R924 PolarHBondContact O-NE 2.82Å; E899-R924 HydrophobicContact CB-CG 3.84Å; E899-R924 HydrophobicContact CG-CG 4.49Å
925	H	90	Very high	75.7	Confident	72 Å²	72	49 Å²	49	33%	0.333	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.2	178.1	-59.4	109.7	0	0	0	110.6	I896 L923 V927	I896-H925 HydrophobicContact CG2-CB 4.09Å; L923-H925 WeakPolarHBondContact CB-O 3.43Å; L923-H925 PolarHBondContact O-N 2.75Å; H925-V927 PolarHBondContact O-N 3.49Å
926	K	89.6	Confident	75.8	Confident	113 Å²	113	49 Å²	49	49%	0.491	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	121.4	177.3	-71.8	175.6	178	170.3	0	110.7	D857	D857-K926 HydrophobicContact CB-CG 3.67Å; D857-K926 VanDerWaalsContact OD1-CE 3.27Å; D857-K926 WeakPolarHBondContact OD1-CE 3.23Å
927	V	85	Confident	75.8	Confident	20 Å²	20	49.3 Å²	49.3	12%	0.121	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	139.7	175.9	-174.6	0	0	0	0	109.7	L847 Y855 S856 V878 I896 L923 H925	L847-V927 HydrophobicContact CD1-CB 4.45Å; L847-V927 HydrophobicContact CD2-CB 4.28Å; L847-V927 HydrophobicContact CD2-CG1 4.31Å; Y855-V927 CarbonylContact C-O 3.52Å; Y855-V927 VanDerWaalsContact CA-O 3.23Å; Y855-V927 WeakPolarHBondContact CA-O 3.47Å; S856-V927 PolarHBondContact N-O 3.3Å; S856-V927 PolarHBondContact O-N 2.71Å; V878-V927 HydrophobicContact CB-CG1 4.18Å; V878-V927 HydrophobicContact CB-CG2 4.49Å; V878-V927 HydrophobicContact CG1-CG1 3.87Å; V878-V927 HydrophobicContact CG2-CG2 4.21Å; I896-V927 HydrophobicContact CD1-CG2 3.31Å; L923-V927 HydrophobicContact CD1-CG2 3.87Å; H925-V927 PolarHBondContact O-N 3.49Å
928	K	82	Confident	75.7	Confident	105 Å²	105	51.4 Å²	51.4	46%	0.457	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.2	171.5	-164.4	-177.7	-179.2	176.8	0	110.2	T854 Y855 I930	T854-K928 WeakPolarHBondContact O-CG 3.32Å; Y855-K928 HydrophobicContact CD1-CB 3.83Å; Y855-K928 HydrophobicContact CD1-CG 4.18Å; Y855-K928 HydrophobicContact CD2-CG 4.4Å; Y855-K928 HydrophobicContact CE1-CB 3.53Å; Y855-K928 HydrophobicContact CE1-CD 4.29Å; Y855-K928 HydrophobicContact CE1-CG 3.8Å; Y855-K928 HydrophobicContact CE2-CD 4.29Å; Y855-K928 HydrophobicContact CE2-CG 4.02Å; Y855-K928 HydrophobicContact CG-CG 4.47Å; K928-I930 HydrophobicContact CB-CG2 4.27Å; K928-I930 HydrophobicContact CD-CG2 3.95Å; K928-I930 HydrophobicContact CG-CG2 4.04Å; K928-I930 PolarHBondContact O-N 2.96Å
929	A	73.7	Confident	74.9	Confident	23 Å²	23	52.1 Å²	52.1	19%	0.19	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-68.8	123.7	165	0	0	0	0	0	109.3	V849 T854	V849-A929 HydrophobicContact CG2-CB 4.19Å; T854-A929 PolarHBondContact O-N 2.79Å
930	I	64.8	Low	73.7	Confident	73 Å²	73	57.7 Å²	57.7	37%	0.374	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-133.2	162.4	-177.6	56.2	169.6	0	0	0	109.5	K928 G932 V933	K928-I930 HydrophobicContact CB-CG2 4.27Å; K928-I930 HydrophobicContact CD-CG2 3.95Å; K928-I930 HydrophobicContact CG-CG2 4.04Å; K928-I930 PolarHBondContact O-N 2.96Å; I930-G932 PolarHBondContact O-N 2.84Å; I930-V933 HydrophobicContact CD1-CG2 4.36Å; I930-V933 HydrophobicContact CG1-CB 3.89Å; I930-V933 HydrophobicContact CG1-CG2 4Å; I930-V933 PolarHBondContact N-O 2.79Å; I930-V933 CarbonylContact O-C 3.56Å; I930-V933 WeakPolarHBondContact O-CA 3.11Å; I930-V933 PolarHBondContact O-N 3.1Å
931	Q	53.5	Low	72.2	Confident	188 Å²	188	59 Å²	59	88%	0.879	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	128.1	166	-70.8	175.9	-18.5	0	0	108.6
932	G	52.4	Low	70	Confident	32 Å²	32	61.6 Å²	61.6	33%	0.33	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.1	-24.4	-168.3	0	0	0	0	0	114.9	I930	I930-G932 PolarHBondContact O-N 2.84Å
933	V	58.6	Low	68.4	Low	11 Å²	11	62 Å²	62	7%	0.067	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-122.8	73.9	168.7	-178	0	0	0	0	107.7	L847 V878 I930 S935	L847-V933 HydrophobicContact CD2-CG1 4.09Å; V878-V933 HydrophobicContact CG1-CB 4.4Å; V878-V933 HydrophobicContact CG1-CG1 3.31Å; V878-V933 HydrophobicContact CG1-CG2 4.15Å; I930-V933 HydrophobicContact CD1-CG2 4.36Å; I930-V933 HydrophobicContact CG1-CB 3.89Å; I930-V933 HydrophobicContact CG1-CG2 4Å; I930-V933 PolarHBondContact N-O 2.79Å; I930-V933 CarbonylContact O-C 3.56Å; I930-V933 WeakPolarHBondContact O-CA 3.11Å; I930-V933 PolarHBondContact O-N 3.1Å; V933-S935 PolarHBondContact O-N 3.18Å
934	Q	60.4	Low	66.8	Low	77 Å²	77	63.8 Å²	63.8	36%	0.36	34%	0.341	S	S	.	.			trans	-76.7	117.2	178.2	-84.2	149.4	-39.3	0	0	109.8	P824 F936	P824-Q934 HydrophobicContact CB-CB 4.13Å; P824-Q934 HydrophobicContact CB-CG 4.16Å; P824-Q934 VanDerWaalsContact CB-OE1 3.29Å; Q934-F936 HydrophobicContact CB-CE2 4.22Å; Q934-F936 HydrophobicContact CB-CZ 3.98Å; Q934-F936 VanDerWaalsContact O-CD2 3.23Å; Q934-F936 WeakPolarHBondContact O-CD2 3.46Å; Q934-F936 WeakPolarHBondContact O-CE2 3.35Å
935	S	64.4	Low	65.5	Low	33 Å²	33	57.8 Å²	57.8	23%	0.231	32%	0.321	C	S	.	.			trans	-80.4	154.9	163.7	54.7	0	0	0	0	110.5	L847 V849 V933	L847-S935 VanDerWaalsContact O-CA 3.26Å; L847-S935 WeakPolarHBondContact O-CA 3.46Å; L847-S935 VanDerWaalsContact O-CB 3.27Å; L847-S935 WeakPolarHBondContact O-CB 3.18Å; V849-S935 WeakPolarHBondContact CB-OG 3.49Å; V849-S935 WeakPolarHBondContact CG2-OG 3.42Å; V933-S935 PolarHBondContact O-N 3.18Å
936	F	63.3	Low	64.5	Low	13 Å²	13	59 Å²	59	6%	0.057	32%	0.323	C	S	.	.			trans	-131.6	140.6	-175.8	-57.4	-94.6	0	0	0	113.1	P824 T846 Q934 M1014 W1023	P824-F936 HydrophobicContact CB-CE1 3.88Å; P824-F936 HydrophobicContact CB-CZ 4.04Å; P824-F936 HydrophobicContact CG-CE1 3.64Å; P824-F936 HydrophobicContact CG-CZ 4.2Å; T846-F936 HydrophobicContact CG2-CD2 4.08Å; Q934-F936 HydrophobicContact CB-CE2 4.22Å; Q934-F936 HydrophobicContact CB-CZ 3.98Å; Q934-F936 VanDerWaalsContact O-CD2 3.23Å; Q934-F936 WeakPolarHBondContact O-CD2 3.46Å; Q934-F936 WeakPolarHBondContact O-CE2 3.35Å; F936-M1014 HydrophobicContact CD1-SD 4.04Å; F936-M1014 HydrophobicContact CE1-CE 4.29Å; F936-M1014 HydrophobicContact CE1-SD 3.35Å; F936-M1014 WeakPolarHBondContact CE1-SD 3.42Å; F936-M1014 HydrophobicContact CE2-CE 4.34Å; F936-M1014 HydrophobicContact CE2-SD 4.31Å; F936-M1014 HydrophobicContact CZ-CE 3.82Å; F936-M1014 HydrophobicContact CZ-SD 3.51Å; F936-M1014 VanDerWaalsContact CZ-SD 3.51Å; F936-W1023 HydrophobicContact CB-CD2 4.27Å; F936-W1023 VanDerWaalsContact CB-CE2 3.42Å; F936-W1023 HydrophobicContact CB-CG 4.45Å; F936-W1023 HydrophobicContact CB-CZ2 3.76Å; F936-W1023 AromaticContact CD1-CE2 3.92Å; F936-W1023 AromaticContact CD1-CZ2 3.71Å; F936-W1023 HydrophobicContact CD1-CZ2 3.71Å; F936-W1023 AromaticContact CD1-NE1 3.57Å; F936-W1023 AromaticContact CD2-CE2 3.78Å; F936-W1023 AromaticContact CD2-CH2 3.78Å; F936-W1023 HydrophobicContact CD2-CH2 3.78Å; F936-W1023 AromaticContact CD2-CZ2 3.11Å; F936-W1023 HydrophobicContact CD2-CZ2 3.11Å; F936-W1023 HydrophobicContact CE1-CZ2 4.02Å; F936-W1023 AromaticContact CE2-CH2 3.96Å; F936-W1023 HydrophobicContact CE2-CH2 3.96Å; F936-W1023 AromaticContact CE2-CZ2 3.46Å; F936-W1023 HydrophobicContact CE2-CZ2 3.46Å; F936-W1023 VanDerWaalsContact CE2-CZ2 3.46Å; F936-W1023 AromaticContact CG-CE2 3.44Å; F936-W1023 VanDerWaalsContact CG-CE2 3.44Å; F936-W1023 HydrophobicContact CG-CH2 4.31Å; F936-W1023 AromaticContact CG-CZ2 3.24Å; F936-W1023 HydrophobicContact CG-CZ2 3.24Å; F936-W1023 AromaticContact CG-NE1 3.37Å; F936-W1023 AromaticContact CZ-CZ2 3.9Å; F936-W1023 HydrophobicContact CZ-CZ2 3.9Å
937	S	63.3	Low	63.6	Low	48 Å²	48	56.2 Å²	56.2	34%	0.336	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-67.1	135.2	170.7	-44.8	0	0	0	0	110.1
938	L	66.5	Low	63.1	Low	46 Å²	46	60.1 Å²	60.1	24%	0.241	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-69.2	151.5	169	-71.5	166.8	0	0	0	110.5	F538 Y848 I860 W1023	F538-L938 HydrophobicContact CB-CD2 4.34Å; F538-L938 HydrophobicContact CD1-CD1 3.71Å; F538-L938 HydrophobicContact CD1-CD2 4.1Å; F538-L938 HydrophobicContact CD1-CG 4.44Å; F538-L938 HydrophobicContact CE1-CD1 3.48Å; F538-L938 VanDerWaalsContact CE1-CD1 3.48Å; F538-L938 HydrophobicContact CG-CD1 4.4Å; F538-L938 HydrophobicContact CG-CD2 4.12Å; F538-L938 HydrophobicContact CZ-CD1 4.01Å; Y848-L938 HydrophobicContact CD2-CD1 3.79Å; Y848-L938 HydrophobicContact CD2-CG 3.81Å; Y848-L938 HydrophobicContact CE2-CB 4.39Å; Y848-L938 HydrophobicContact CE2-CD1 3.57Å; Y848-L938 HydrophobicContact CE2-CG 3.77Å; I860-L938 HydrophobicContact CD1-CD1 4.14Å; I860-L938 HydrophobicContact CD1-CD2 3.91Å; I860-L938 HydrophobicContact CD1-CG 4.37Å; L938-W1023 HydrophobicContact CD2-CB 4.35Å
939	P	62.2	Low	62.6	Low	25 Å²	25	55.5 Å²	55.5	16%	0.162	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-64	153.5	171.9	28.1	-35	0	0	0	111.3	L1022	P939-L1022 HydrophobicContact CB-CB 4.25Å; P939-L1022 HydrophobicContact CB-CD2 4.08Å; P939-L1022 HydrophobicContact CB-CG 3.91Å
940	H	57.7	Low	62.4	Low	118 Å²	118	59.6 Å²	59.6	55%	0.546	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-66.6	144.2	165.4	-168.2	-98.4	0	0	0	109.7	S942 T943	H940-S942 PolarHBondContact ND1-OG 3.2Å; H940-S942 PolarHBondContact O-N 3.05Å; H940-T943 WeakPolarHBondContact O-CB 3.25Å; H940-T943 PolarHBondContact O-N 3.49Å; H940-T943 PolarHBondContact O-OG1 2.97Å
941	V	56.8	Low	62.8	Low	60 Å²	60	56.2 Å²	56.2	36%	0.364	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.2	-170.8	-64.6	0	0	0	0	114.5	T539	T539-V941 HydrophobicContact CG2-CG1 4.49Å
942	S	45.9	Very low	63.8	Low	55 Å²	55	48.3 Å²	48.3	39%	0.385	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-12	174.9	58.8	0	0	0	0	114.5	H78 H940 G944	H78-S942 WeakPolarHBondContact O-CB 3.18Å; H940-S942 PolarHBondContact ND1-OG 3.2Å; H940-S942 PolarHBondContact O-N 3.05Å; S942-G944 PolarHBondContact O-N 2.97Å
943	T	60.7	Low	64.9	Low	49 Å²	49	46.8 Å²	46.8	30%	0.301	27%	0.27	S	S	.	.			trans	-93.3	94.8	-174.3	-38.4	0	0	0	0	111	H940 A1020 L1022	H940-T943 WeakPolarHBondContact O-CB 3.25Å; H940-T943 PolarHBondContact O-N 3.49Å; H940-T943 PolarHBondContact O-OG1 2.97Å; T943-A1020 HydrophobicContact CG2-CB 4.27Å; T943-L1022 HydrophobicContact CG2-CD1 4.27Å; T943-L1022 HydrophobicContact CG2-CD2 3.85Å; T943-L1022 HydrophobicContact CG2-CG 4.29Å; T943-L1022 WeakPolarHBondContact O-CD2 3.31Å
944	G	60.4	Low	65.6	Low	39 Å²	39	46.3 Å²	46.3	40%	0.402	27%	0.267	S	S	.	.			trans	-80.2	151.4	170.7	0	0	0	0	0	112.8	S942 M949 Y989	S942-G944 PolarHBondContact O-N 2.97Å; G944-M949 WeakPolarHBondContact O-CE 3.43Å; G944-Y989 WeakPolarHBondContact CA-OH 3.21Å
945	A	64.2	Low	66.1	Low	14 Å²	14	42.8 Å²	42.8	12%	0.116	25%	0.252	C	S	.	.			trans	-71.9	145.1	168.6	0	0	0	0	0	112.1	M949 L969 Y989 F1024	A945-M949 HydrophobicContact CB-SD 3.96Å; A945-L969 HydrophobicContact CB-CD1 3.48Å; A945-L969 VanDerWaalsContact CB-CD1 3.48Å; A945-Y989 HydrophobicContact CB-CD1 4.05Å; A945-Y989 HydrophobicContact CB-CD2 4.32Å; A945-Y989 HydrophobicContact CB-CE1 3.74Å; A945-Y989 HydrophobicContact CB-CE2 4.02Å; A945-Y989 HydrophobicContact CB-CG 4.35Å; A945-Y989 PolarHBondContact N-OH 3.22Å; A945-Y989 VanDerWaalsContact N-OH 3.07Å; A945-Y989 WeakPolarHBondContact O-CE1 3.44Å; A945-F1024 HydrophobicContact CB-CE2 3.71Å; A945-F1024 HydrophobicContact CB-CZ 3.71Å
946	Y	68.8	Low	66.3	Low	97 Å²	97	41.8 Å²	41.8	38%	0.38	24%	0.244	S	C	.	.			trans	-123.3	152.7	175.7	57.8	-107.7	0	0	0	111.3	S948 M949 S1017	Y946-S948 WeakPolarHBondContact CD2-OG 3.13Å; Y946-S948 WeakPolarHBondContact CE2-OG 3.11Å; Y946-S948 PolarHBondContact O-N 3.14Å; Y946-S948 VanDerWaalsContact O-N 3.09Å; Y946-M949 HydrophobicContact CD1-CE 3.4Å; Y946-M949 HydrophobicContact CD1-CG 3.96Å; Y946-M949 HydrophobicContact CD1-SD 4.43Å; Y946-M949 HydrophobicContact CD2-CB 4.37Å; Y946-M949 HydrophobicContact CD2-CG 3.59Å; Y946-M949 HydrophobicContact CE1-CE 3.34Å; Y946-M949 HydrophobicContact CE1-CG 3.82Å; Y946-M949 HydrophobicContact CE1-SD 4.43Å; Y946-M949 HydrophobicContact CE2-CB 4.25Å; Y946-M949 HydrophobicContact CE2-CG 3.44Å; Y946-M949 VanDerWaalsContact CE2-CG 3.44Å; Y946-M949 HydrophobicContact CG-CE 4.13Å; Y946-M949 HydrophobicContact CG-CG 3.84Å; Y946-M949 WeakPolarHBondContact O-CB 3.33Å; Y946-M949 WeakPolarHBondContact O-CG 3.38Å; Y946-M949 PolarHBondContact O-N 2.98Å; Y946-S1017 WeakPolarHBondContact OH-CB 3.2Å; Y946-S1017 PolarHBondContact OH-OG 3.3Å
947	P	70.9	Confident	66.6	Low	55 Å²	55	41.7 Å²	41.7	36%	0.357	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.4	-170.4	-27.9	36.2	0	0	0	116.2	T971	P947-T971 HydrophobicContact CB-CG2 4.48Å; P947-T971 HydrophobicContact CG-CG2 3.74Å
948	S	73.7	Confident	66.7	Low	101 Å²	101	45.6 Å²	45.6	71%	0.706	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	7.6	175.4	50.7	0	0	0	0	114.8	Y946	Y946-S948 WeakPolarHBondContact CD2-OG 3.13Å; Y946-S948 WeakPolarHBondContact CE2-OG 3.11Å; Y946-S948 PolarHBondContact O-N 3.14Å; Y946-S948 VanDerWaalsContact O-N 3.09Å
949	M	71.4	Confident	66.7	Low	9 Å²	9	47.5 Å²	47.5	4%	0.044	27%	0.265	C	S	.	.	S	Bend	trans	-69.5	143.3	166.5	-71.8	-169.6	178.7	0	0	110.5	G944 A945 Y946 C951 C1015 L1022	G944-M949 WeakPolarHBondContact O-CE 3.43Å; A945-M949 HydrophobicContact CB-SD 3.96Å; Y946-M949 HydrophobicContact CD1-CE 3.4Å; Y946-M949 HydrophobicContact CD1-CG 3.96Å; Y946-M949 HydrophobicContact CD1-SD 4.43Å; Y946-M949 HydrophobicContact CD2-CB 4.37Å; Y946-M949 HydrophobicContact CD2-CG 3.59Å; Y946-M949 HydrophobicContact CE1-CE 3.34Å; Y946-M949 HydrophobicContact CE1-CG 3.82Å; Y946-M949 HydrophobicContact CE1-SD 4.43Å; Y946-M949 HydrophobicContact CE2-CB 4.25Å; Y946-M949 HydrophobicContact CE2-CG 3.44Å; Y946-M949 VanDerWaalsContact CE2-CG 3.44Å; Y946-M949 HydrophobicContact CG-CE 4.13Å; Y946-M949 HydrophobicContact CG-CG 3.84Å; Y946-M949 WeakPolarHBondContact O-CB 3.33Å; Y946-M949 WeakPolarHBondContact O-CG 3.38Å; Y946-M949 PolarHBondContact O-N 2.98Å; M949-C951 PolarHBondContact O-N 3.01Å; M949-C1015 HydrophobicContact CB-CB 4.23Å; M949-C1015 HydrophobicContact SD-CB 3.71Å; M949-L1022 HydrophobicContact CE-CD1 3.56Å; M949-L1022 HydrophobicContact CE-CD2 4.04Å; M949-L1022 HydrophobicContact CE-CG 4.46Å; M949-L1022 HydrophobicContact SD-CD1 3.83Å; M949-L1022 HydrophobicContact SD-CD2 4.44Å
950	Q	71.2	Confident	66.8	Low	109 Å²	109	46.4 Å²	46.4	51%	0.509	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	108	169.1	-67.7	-170.7	8.5	0	0	109.1	F952 F1016	Q950-F952 HydrophobicContact CB-CE2 4.15Å; Q950-F1016 PolarHBondContact N-O 3.34Å; Q950-F1016 PolarHBondContact O-N 3.23Å
951	C	72.8	Confident	67.2	Low	1 Å²	1	45 Å²	45	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	147	-175.7	-61	0	0	0	0	111.7	M949 Q966 Y967 L969 V1013 M1014 C1015	M949-C951 PolarHBondContact O-N 3.01Å; C951-Q966 WeakPolarHBondContact O-CA 3.4Å; C951-Q966 WeakPolarHBondContact O-CG 3.48Å; C951-Y967 WeakPolarHBondContact CB-O 3.49Å; C951-Y967 PolarHBondContact O-N 3.02Å; C951-Y967 VanDerWaalsContact O-O 3.06Å; C951-L969 HydrophobicContact CB-CG 4.25Å; C951-L969 WeakPolarHBondContact SG-CD1 3.08Å; C951-L969 VanDerWaalsContact SG-CG 3.56Å; C951-V1013 HydrophobicContact CB-CG1 3.91Å; C951-M1014 CarbonylContact C-O 3.48Å; C951-M1014 VanDerWaalsContact CA-O 3.29Å; C951-M1014 WeakPolarHBondContact CA-O 3.4Å; C951-C1015 HydrophobicContact CB-CB 4.17Å; C951-C1015 WeakPolarHBondContact CB-SG 3.43Å; C951-C1015 WeakPolarHBondContact SG-CB 3.37Å; C951-C1015 CovalentContact SG-SG 2.04Å; C951-C1015 PolarHBondContact SG-SG 3.07Å
952	F	74.8	Confident	67.7	Low	23 Å²	23	43.4 Å²	43.4	10%	0.101	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	121.7	-176.1	-62	-97.3	0	0	0	110.7	L823 Q950 R964 V965 Q966 V1013 M1014 F1016	L823-F952 HydrophobicContact CD1-CE1 4.07Å; L823-F952 HydrophobicContact CD1-CE2 3.93Å; L823-F952 HydrophobicContact CD1-CZ 3.68Å; Q950-F952 HydrophobicContact CB-CE2 4.15Å; F952-R964 HydrophobicContact CB-CG 3.87Å; F952-R964 HydrophobicContact CD1-CG 4.04Å; F952-R964 HydrophobicContact CG-CG 4.29Å; F952-V965 CarbonylContact C-O 3.56Å; F952-V965 WeakPolarHBondContact CA-O 3.43Å; F952-Q966 HydrophobicContact CD1-CB 3.92Å; F952-Q966 HydrophobicContact CD1-CG 4.31Å; F952-Q966 HydrophobicContact CE1-CB 3.85Å; F952-Q966 HydrophobicContact CE1-CG 4.04Å; F952-Q966 HydrophobicContact CZ-CG 4.36Å; F952-V1013 WeakPolarHBondContact O-CA 3.49Å; F952-M1014 PolarHBondContact N-O 3.12Å; F952-M1014 PolarHBondContact O-N 3.13Å; F952-F1016 HydrophobicContact CD2-CD2 4.23Å; F952-F1016 HydrophobicContact CD2-CE2 4.45Å; F952-F1016 HydrophobicContact CE2-CD2 4.09Å; F952-F1016 HydrophobicContact CE2-CE2 4.49Å
953	V	75.2	Confident	68.8	Low	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	140.2	163.1	169.9	0	0	0	0	109	R964 V965 Y967 L998 L1010 A1012 V1013	V953-R964 CarbonylContact O-C 3.51Å; V953-R964 WeakPolarHBondContact O-CA 3.35Å; V953-V965 PolarHBondContact N-O 3.4Å; V953-V965 PolarHBondContact O-N 3.19Å; V953-Y967 HydrophobicContact CB-CD2 3.73Å; V953-Y967 HydrophobicContact CB-CE2 3.51Å; V953-Y967 HydrophobicContact CG1-CE2 4.37Å; V953-Y967 HydrophobicContact CG2-CD1 4.24Å; V953-Y967 HydrophobicContact CG2-CD2 3.34Å; V953-Y967 HydrophobicContact CG2-CE1 4.23Å; V953-Y967 HydrophobicContact CG2-CE2 3.31Å; V953-Y967 HydrophobicContact CG2-CG 3.84Å; V953-L998 HydrophobicContact CG1-CD1 3.65Å; V953-L998 HydrophobicContact CG1-CD2 4.41Å; V953-L1010 HydrophobicContact CB-CD2 4.32Å; V953-L1010 HydrophobicContact CG1-CB 4.17Å; V953-L1010 HydrophobicContact CG1-CD2 3.54Å; V953-L1010 HydrophobicContact CG1-CG 3.63Å; V953-L1010 HydrophobicContact CG2-CD2 3.75Å; V953-A1012 CarbonylContact C-O 3.5Å; V953-A1012 VanDerWaalsContact CA-O 3.25Å; V953-A1012 WeakPolarHBondContact CA-O 3.35Å; V953-V1013 HydrophobicContact CB-CG2 4.39Å; V953-V1013 HydrophobicContact CG2-CG2 3.47Å; V953-V1013 VanDerWaalsContact CG2-CG2 3.47Å
954	S	73.2	Confident	69.5	Low	1 Å²	1	42.7 Å²	42.7	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	145.6	158	-57.6	0	0	0	0	110.4	V963 A1012 M1014	S954-V963 WeakPolarHBondContact CA-O 3.15Å; S954-A1012 PolarHBondContact N-O 3.44Å; S954-M1014 WeakPolarHBondContact OG-CE 3.32Å
955	G	70.7	Confident	70.1	Confident	3 Å²	3	41.3 Å²	41.3	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-156.8	177.2	0	0	0	0	0	109.9	P962 V963	G955-P962 CarbonylContact O-C 3.57Å; G955-P962 WeakPolarHBondContact O-CA 3.17Å; G955-V963 PolarHBondContact N-O 2.88Å; G955-V963 VanDerWaalsContact N-O 3.08Å; G955-V963 PolarHBondContact O-N 2.85Å
956	V	68.3	Low	70.7	Confident	12 Å²	12	45.7 Å²	45.7	7%	0.073	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.4	-178.5	-157.8	0	0	0	0	109.2	H830 T844 L882 L998 Q999	H830-V956 WeakPolarHBondContact CE1-CG2 3.32Å; T844-V956 HydrophobicContact CG2-CG2 3.68Å; L882-V956 HydrophobicContact CD1-CG1 4.01Å; V956-L998 CarbonylContact O-C 3.59Å; V956-L998 WeakPolarHBondContact O-CA 3.27Å; V956-Q999 PolarHBondContact O-N 3.07Å
957	C	69.5	Low	71.3	Confident	11 Å²	11	41.4 Å²	41.4	7%	0.074	22%	0.216	C	C	.	.			trans	-89.3	169.9	169.3	68.1	0	0	0	0	111.3	H959 G960 M961 V963 I997 Q999	C957-H959 PolarHBondContact O-N 3.29Å; C957-G960 PolarHBondContact O-N 2.61Å; C957-M961 PolarHBondContact N-O 3.21Å; C957-M961 VanDerWaalsContact N-O 3.08Å; C957-M961 PolarHBondContact SG-O 3.5Å; C957-V963 HydrophobicContact CB-CB 4.44Å; C957-V963 HydrophobicContact CB-CG1 3.71Å; C957-V963 HydrophobicContact CB-CG2 3.87Å; C957-I997 WeakPolarHBondContact CB-O 3.45Å; C957-Q999 PolarHBondContact O-OE1 3.35Å
958	E	66.2	Low	71.7	Confident	130 Å²	130	43.1 Å²	43.1	61%	0.607	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-16	176.6	71.9	-170.8	161.7	0	0	114.8	R884	R884-E958 VanDerWaalsContact CZ-O 3.23Å; R884-E958 PolarHBondContact NH1-O 3.08Å; R884-E958 PolarHBondContact NH2-O 3.28Å
959	H	67	Low	72.2	Confident	85 Å²	85	38.6 Å²	38.6	39%	0.394	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	0.3	177.1	-62.8	83.5	0	0	0	113.9	R884 C957 M961	R884-H959 WeakPolarHBondContact CD-O 3.06Å; R884-H959 PolarHBondContact NE-O 3.09Å; R884-H959 VanDerWaalsContact NH1-C 3.27Å; R884-H959 PolarHBondContact NH1-O 2.89Å; C957-H959 PolarHBondContact O-N 3.29Å; H959-M961 HydrophobicContact CB-CG 4.3Å; H959-M961 PolarHBondContact O-N 2.8Å
960	G	63	Low	72.7	Confident	2 Å²	2	38.5 Å²	38.5	2%	0.021	19%	0.187	C	C	.	.	S	Bend	trans	76.2	6.2	-178.8	0	0	0	0	0	114.1	L882 R884 C957	L882-G960 WeakPolarHBondContact CB-O 3.25Å; R884-G960 VanDerWaalsContact CZ-N 3.26Å; R884-G960 VanDerWaalsContact NH2-N 3.2Å; C957-G960 PolarHBondContact O-N 2.61Å
961	M	65.5	Low	73.1	Confident	90 Å²	90	35.7 Å²	35.7	44%	0.443	18%	0.177	S	C	.	.			trans	-87.6	136.8	177.8	-58.7	-67.3	-69.5	0	0	109	L881 C957 H959 V963	L881-M961 HydrophobicContact CD2-CE 3.41Å; L881-M961 VanDerWaalsContact CD2-CE 3.41Å; L881-M961 HydrophobicContact CD2-SD 3.63Å; C957-M961 PolarHBondContact N-O 3.21Å; C957-M961 VanDerWaalsContact N-O 3.08Å; C957-M961 PolarHBondContact SG-O 3.5Å; H959-M961 HydrophobicContact CB-CG 4.3Å; H959-M961 PolarHBondContact O-N 2.8Å; M961-V963 PolarHBondContact O-N 2.85Å
962	P	68	Low	73.3	Confident	25 Å²	25	38.7 Å²	38.7	16%	0.162	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	120.6	172.6	30.4	-34	0	0	0	108.9	A826 S880 G955	A826-P962 HydrophobicContact CB-CB 3.85Å; S880-P962 VanDerWaalsContact O-CD 3.26Å; S880-P962 WeakPolarHBondContact O-CD 3.43Å; S880-P962 WeakPolarHBondContact O-CG 3.45Å; G955-P962 CarbonylContact O-C 3.57Å; G955-P962 WeakPolarHBondContact O-CA 3.17Å
963	V	70.3	Confident	73.5	Confident	33 Å²	33	48 Å²	48	20%	0.2	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	156.3	-176.9	-66.4	0	0	0	0	111.6	A826 S954 G955 C957 M961 L998	A826-V963 WeakPolarHBondContact CB-O 3.32Å; S954-V963 WeakPolarHBondContact CA-O 3.15Å; G955-V963 PolarHBondContact N-O 2.88Å; G955-V963 VanDerWaalsContact N-O 3.08Å; G955-V963 PolarHBondContact O-N 2.85Å; C957-V963 HydrophobicContact CB-CB 4.44Å; C957-V963 HydrophobicContact CB-CG1 3.71Å; C957-V963 HydrophobicContact CB-CG2 3.87Å; M961-V963 PolarHBondContact O-N 2.85Å; V963-L998 HydrophobicContact CG2-CD2 3.71Å
964	R	73.9	Confident	73.9	Confident	56 Å²	56	51.7 Å²	51.7	21%	0.211	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.6	179.6	-174	-179.7	-179.2	129.1	18.3	109.4	P824 A826 F952 V953 M1014	P824-R964 PolarHBondContact O-NH1 2.84Å; A826-R964 HydrophobicContact CB-CB 4.24Å; F952-R964 HydrophobicContact CB-CG 3.87Å; F952-R964 HydrophobicContact CD1-CG 4.04Å; F952-R964 HydrophobicContact CG-CG 4.29Å; V953-R964 CarbonylContact O-C 3.51Å; V953-R964 WeakPolarHBondContact O-CA 3.35Å; R964-M1014 VanDerWaalsContact CZ-SD 3.53Å; R964-M1014 PolarHBondContact NH1-SD 3.19Å; R964-M1014 VanDerWaalsContact NH2-CB 3.32Å; R964-M1014 PolarHBondContact NH2-SD 3.38Å
965	V	73.7	Confident	74.1	Confident	11 Å²	11	51.6 Å²	51.6	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.5	-172.7	-176.4	0	0	0	0	108.8	F952 V953 Y967 I997 L998	F952-V965 CarbonylContact C-O 3.56Å; F952-V965 WeakPolarHBondContact CA-O 3.43Å; V953-V965 PolarHBondContact N-O 3.4Å; V953-V965 PolarHBondContact O-N 3.19Å; V965-Y967 HydrophobicContact CB-CD2 4.35Å; V965-Y967 HydrophobicContact CB-CE2 3.84Å; V965-Y967 HydrophobicContact CG1-CD2 4.14Å; V965-Y967 HydrophobicContact CG1-CE2 3.62Å; V965-Y967 WeakPolarHBondContact O-CD2 3.05Å; V965-I997 HydrophobicContact CG1-CD1 4.08Å; V965-I997 HydrophobicContact CG2-CB 3.9Å; V965-I997 HydrophobicContact CG2-CD1 4.49Å; V965-I997 HydrophobicContact CG2-CG2 3.49Å; V965-I997 VanDerWaalsContact CG2-CG2 3.49Å; V965-L998 HydrophobicContact CG2-CG 4.44Å
966	Q	75.8	Confident	74.3	Confident	106 Å²	106	57.7 Å²	57.7	50%	0.495	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	132.8	176.9	-169.5	178.6	-2.7	0	0	110.8	C951 F952	C951-Q966 WeakPolarHBondContact O-CA 3.4Å; C951-Q966 WeakPolarHBondContact O-CG 3.48Å; F952-Q966 HydrophobicContact CD1-CB 3.92Å; F952-Q966 HydrophobicContact CD1-CG 4.31Å; F952-Q966 HydrophobicContact CE1-CB 3.85Å; F952-Q966 HydrophobicContact CE1-CG 4.04Å; F952-Q966 HydrophobicContact CZ-CG 4.36Å
967	Y	81.7	Confident	74.8	Confident	6 Å²	6	61.6 Å²	61.6	2%	0.024	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.6	172.9	-77.8	-115.5	0	0	0	109.4	E531 V533 C951 V953 V965 I992 G993	E531-Y967 HydrophobicContact CB-CE1 4.4Å; E531-Y967 PolarHBondContact OE2-OH 2.94Å; V533-Y967 HydrophobicContact CB-CD1 4.2Å; V533-Y967 HydrophobicContact CB-CE1 4.04Å; V533-Y967 HydrophobicContact CG2-CD1 4.08Å; V533-Y967 HydrophobicContact CG2-CE1 3.42Å; V533-Y967 VanDerWaalsContact CG2-CE1 3.42Å; C951-Y967 WeakPolarHBondContact CB-O 3.49Å; C951-Y967 PolarHBondContact O-N 3.02Å; C951-Y967 VanDerWaalsContact O-O 3.06Å; V953-Y967 HydrophobicContact CB-CD2 3.73Å; V953-Y967 HydrophobicContact CB-CE2 3.51Å; V953-Y967 HydrophobicContact CG1-CE2 4.37Å; V953-Y967 HydrophobicContact CG2-CD1 4.24Å; V953-Y967 HydrophobicContact CG2-CD2 3.34Å; V953-Y967 HydrophobicContact CG2-CE1 4.23Å; V953-Y967 HydrophobicContact CG2-CE2 3.31Å; V953-Y967 HydrophobicContact CG2-CG 3.84Å; V965-Y967 HydrophobicContact CB-CD2 4.35Å; V965-Y967 HydrophobicContact CB-CE2 3.84Å; V965-Y967 HydrophobicContact CG1-CD2 4.14Å; V965-Y967 HydrophobicContact CG1-CE2 3.62Å; V965-Y967 WeakPolarHBondContact O-CD2 3.05Å; Y967-I992 CarbonylContact C-O 3.43Å; Y967-I992 WeakPolarHBondContact CA-O 3.18Å; Y967-I992 WeakPolarHBondContact CB-O 3.37Å; Y967-G993 VanDerWaalsContact CD1-N 3.26Å; Y967-G993 VanDerWaalsContact CE1-CA 3.47Å
968	Q	80.2	Confident	75.3	Confident	91 Å²	91	65 Å²	65	43%	0.425	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	124.5	169.7	-179.6	177.5	-0.8	0	0	108.8	G991 I992	Q968-G991 CarbonylContact O-C 3.41Å; Q968-G991 WeakPolarHBondContact O-CA 3.02Å; Q968-I992 PolarHBondContact N-O 3.02Å; Q968-I992 PolarHBondContact O-N 3.08Å
969	L	83.4	Confident	75.4	Confident	6 Å²	6	59.9 Å²	59.9	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	141.2	170.3	-80.1	-177.6	0	0	0	111	V535 A945 C951	V535-L969 HydrophobicContact CG2-CD2 4.13Å; A945-L969 HydrophobicContact CB-CD1 3.48Å; A945-L969 VanDerWaalsContact CB-CD1 3.48Å; C951-L969 HydrophobicContact CB-CG 4.25Å; C951-L969 WeakPolarHBondContact SG-CD1 3.08Å; C951-L969 VanDerWaalsContact SG-CG 3.56Å
970	L	81.9	Confident	75.6	Confident	8 Å²	8	57.4 Å²	57.4	4%	0.042	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-96.4	156	175.3	-64.7	-172.1	0	0	0	111.2	E974 C990 I992	L970-E974 HydrophobicContact CB-CB 4Å; L970-E974 HydrophobicContact CD1-CB 4.12Å; L970-E974 HydrophobicContact CD2-CB 4.42Å; L970-E974 HydrophobicContact CG-CB 4.42Å; L970-C990 WeakPolarHBondContact CB-O 3.36Å; L970-C990 PolarHBondContact N-O 2.93Å; L970-I992 HydrophobicContact CD1-CD1 3.96Å; L970-I992 HydrophobicContact CD1-CG1 3.89Å; L970-I992 HydrophobicContact CD2-CD1 3.86Å; L970-I992 HydrophobicContact CD2-CG1 4.07Å; L970-I992 HydrophobicContact CG-CD1 4.29Å; L970-I992 HydrophobicContact CG-CG1 4.07Å
971	T	81.1	Confident	75.4	Confident	49 Å²	49	63.6 Å²	63.6	30%	0.301	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-65.8	152.7	165.6	64.3	0	0	0	0	110.5	P947 R973 E974 C975	P947-T971 HydrophobicContact CB-CG2 4.48Å; P947-T971 HydrophobicContact CG-CG2 3.74Å; T971-R973 PolarHBondContact O-N 2.96Å; T971-R973 PolarHBondContact OG1-N 2.96Å; T971-E974 WeakPolarHBondContact CB-OE2 3.41Å; T971-E974 VanDerWaalsContact CG2-OE2 3.27Å; T971-E974 WeakPolarHBondContact CG2-OE2 3.22Å; T971-E974 PolarHBondContact N-OE2 3.23Å; T971-E974 PolarHBondContact O-N 2.97Å; T971-E974 WeakPolarHBondContact OG1-CG 3.45Å; T971-E974 PolarHBondContact OG1-N 3.49Å; T971-E974 PolarHBondContact OG1-OE2 2.88Å; T971-C975 PolarHBondContact O-N 3.18Å; T971-C975 PolarHBondContact O-SG 3.45Å
972	P	75.6	Confident	74.9	Confident	64 Å²	64	62.6 Å²	62.6	42%	0.416	31%	0.31	S	S	.	.	H	α-helix	trans	-53.2	-21.7	170.6	-30.4	37.6	0	0	0	115.1	R976 F983 P985	P972-R976 WeakPolarHBondContact O-CB 3.22Å; P972-R976 PolarHBondContact O-N 2.8Å; P972-F983 HydrophobicContact CB-CE1 4.2Å; P972-F983 HydrophobicContact CB-CZ 4.46Å; P972-F983 WeakPolarHBondContact O-CE1 3.48Å; P972-P985 HydrophobicContact CB-CB 4.01Å
973	R	80	Confident	74.5	Confident	219 Å²	219	61.6 Å²	61.6	83%	0.826	30%	0.304	S	S	*	.	H	α-helix	trans	-75	-47.3	175.5	-167.6	178.3	-170.8	171.5	3.1	111.3	T971 R976 S977	T971-R973 PolarHBondContact O-N 2.96Å; T971-R973 PolarHBondContact OG1-N 2.96Å; R973-R976 PolarHBondContact O-N 3.37Å; R973-S977 PolarHBondContact O-N 3.37Å; R973-S977 PolarHBondContact O-OG 2.61Å
974	E	83.9	Confident	74	Confident	77 Å²	77	62.1 Å²	62.1	36%	0.36	30%	0.303	S	S	.	.	H	α-helix	trans	-68.5	-37.8	176.8	-68	159.7	116.2	0	0	112.1	L970 T971 S977 R978	L970-E974 HydrophobicContact CB-CB 4Å; L970-E974 HydrophobicContact CD1-CB 4.12Å; L970-E974 HydrophobicContact CD2-CB 4.42Å; L970-E974 HydrophobicContact CG-CB 4.42Å; T971-E974 WeakPolarHBondContact CB-OE2 3.41Å; T971-E974 VanDerWaalsContact CG2-OE2 3.27Å; T971-E974 WeakPolarHBondContact CG2-OE2 3.22Å; T971-E974 PolarHBondContact N-OE2 3.23Å; T971-E974 PolarHBondContact O-N 2.97Å; T971-E974 WeakPolarHBondContact OG1-CG 3.45Å; T971-E974 PolarHBondContact OG1-N 3.49Å; T971-E974 PolarHBondContact OG1-OE2 2.88Å; E974-S977 WeakPolarHBondContact CA-OG 3.37Å; E974-S977 PolarHBondContact O-N 2.85Å; E974-S977 PolarHBondContact O-OG 3.38Å; E974-R978 WeakPolarHBondContact O-CG 3.36Å; E974-R978 PolarHBondContact O-N 3.16Å
975	C	75.6	Confident	73.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.9	-49.6	171.4	-59.7	0	0	0	0	110.8	T971 S977 R978 L979 F983 C990	T971-C975 PolarHBondContact O-N 3.18Å; T971-C975 PolarHBondContact O-SG 3.45Å; C975-S977 VanDerWaalsContact C-N 3.34Å; C975-S977 PolarHBondContact O-N 3.43Å; C975-R978 PolarHBondContact O-N 2.86Å; C975-L979 WeakPolarHBondContact O-CB 3.46Å; C975-L979 PolarHBondContact O-N 3.46Å; C975-F983 HydrophobicContact CB-CD1 3.48Å; C975-F983 VanDerWaalsContact CB-CD1 3.48Å; C975-F983 HydrophobicContact CB-CD2 3.8Å; C975-F983 HydrophobicContact CB-CE1 3.23Å; C975-F983 HydrophobicContact CB-CE2 3.57Å; C975-F983 HydrophobicContact CB-CG 3.76Å; C975-F983 HydrophobicContact CB-CZ 3.28Å; C975-C990 HydrophobicContact CB-CB 4.12Å; C975-C990 VanDerWaalsContact SG-CB 3.55Å; C975-C990 PolarHBondContact SG-N 2.87Å; C975-C990 VanDerWaalsContact SG-N 3.38Å
976	R	75.7	Confident	72.5	Confident	130 Å²	130	62.3 Å²	62.3	49%	0.491	31%	0.313	S	S	.	.	H	α-helix	trans	-65.3	-32.5	178.5	-179.1	171.4	-73.2	156.4	-4.2	113	P972 R973 R978 G980 F983	P972-R976 WeakPolarHBondContact O-CB 3.22Å; P972-R976 PolarHBondContact O-N 2.8Å; R973-R976 PolarHBondContact O-N 3.37Å; R976-R978 VanDerWaalsContact C-N 3.28Å; R976-R978 PolarHBondContact O-N 2.83Å; R976-G980 WeakPolarHBondContact O-CA 3.41Å; R976-G980 PolarHBondContact O-N 2.82Å; R976-F983 HydrophobicContact CB-CD1 4.21Å
977	S	78.8	Confident	71.7	Confident	95 Å²	95	58.3 Å²	58.3	66%	0.664	30%	0.295	S	S	*	.	H	α-helix	trans	-73.5	-17.9	175.7	64.7	0	0	0	0	113.8	R973 E974 C975	R973-S977 PolarHBondContact O-N 3.37Å; R973-S977 PolarHBondContact O-OG 2.61Å; E974-S977 WeakPolarHBondContact CA-OG 3.37Å; E974-S977 PolarHBondContact O-N 2.85Å; E974-S977 PolarHBondContact O-OG 3.38Å; C975-S977 VanDerWaalsContact C-N 3.34Å; C975-S977 PolarHBondContact O-N 3.43Å
978	R	79.9	Confident	71	Confident	82 Å²	82	58.4 Å²	58.4	31%	0.309	30%	0.296	S	S	.	.	H	α-helix	trans	-99.8	-37.8	178.7	-67.9	168.8	-176.5	-89.5	1.5	113.4	H532 E974 C975 R976 I992	H532-R978 PolarHBondContact CE1-NH1 3.37Å; H532-R978 PolarHBondContact NE2-NH1 2.98Å; E974-R978 WeakPolarHBondContact O-CG 3.36Å; E974-R978 PolarHBondContact O-N 3.16Å; C975-R978 PolarHBondContact O-N 2.86Å; R976-R978 VanDerWaalsContact C-N 3.28Å; R976-R978 PolarHBondContact O-N 2.83Å; R978-I992 VanDerWaalsContact CZ-CD1 3.5Å
979	L	68.5	Low	70.6	Confident	23 Å²	23	55.3 Å²	55.3	12%	0.12	28%	0.28	C	S	.	.	H	α-helix	trans	-107.3	-5.9	-173.8	-59.9	170.4	0	0	0	112.8	M534 C975 Q981 T982 F983 C990	M534-L979 HydrophobicContact CE-CD1 3.93Å; M534-L979 HydrophobicContact CE-CD2 4.35Å; M534-L979 HydrophobicContact CG-CD1 4.02Å; C975-L979 WeakPolarHBondContact O-CB 3.46Å; C975-L979 PolarHBondContact O-N 3.46Å; L979-Q981 PolarHBondContact O-N 3.26Å; L979-T982 PolarHBondContact O-N 3.25Å; L979-T982 PolarHBondContact O-OG1 2.87Å; L979-F983 HydrophobicContact CB-CB 3.72Å; L979-F983 HydrophobicContact CD1-CB 4.01Å; L979-F983 HydrophobicContact CD1-CD2 4.17Å; L979-F983 HydrophobicContact CD1-CG 4.34Å; L979-C990 HydrophobicContact CD1-CB 3.84Å
980	G	71.3	Confident	70.2	Confident	33 Å²	33	55 Å²	55	34%	0.34	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	-124	179.3	0	0	0	0	0	112.7	R976	R976-G980 WeakPolarHBondContact O-CA 3.41Å; R976-G980 PolarHBondContact O-N 2.82Å
981	Q	58.1	Low	70	Confident	132 Å²	132	54.7 Å²	54.7	62%	0.617	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-3.6	-176.2	-59.9	-68	7.1	0	0	114.3	L979 F983	L979-Q981 PolarHBondContact O-N 3.26Å; Q981-F983 VanDerWaalsContact C-N 3.29Å
982	T	55.4	Low	69.9	Low	68 Å²	68	53.2 Å²	53.2	42%	0.417	27%	0.267	S	S	.	.	S	Bend	trans	-78.7	-17.7	174.1	67.5	0	0	0	0	112.2	M534 L979 F984	M534-T982 WeakPolarHBondContact CE-OG1 3.35Å; L979-T982 PolarHBondContact O-N 3.25Å; L979-T982 PolarHBondContact O-OG1 2.87Å; T982-F984 WeakPolarHBondContact O-CD2 3.46Å; T982-F984 WeakPolarHBondContact O-CE2 3.36Å
983	F	60	Low	69.9	Low	4 Å²	4	50.4 Å²	50.4	2%	0.018	25%	0.25	C	S	.	.			trans	-89.2	111.5	-178.8	172.3	-106.5	0	0	0	112.6	P972 C975 R976 L979 Q981 P985 M988 C990	P972-F983 HydrophobicContact CB-CE1 4.2Å; P972-F983 HydrophobicContact CB-CZ 4.46Å; P972-F983 WeakPolarHBondContact O-CE1 3.48Å; C975-F983 HydrophobicContact CB-CD1 3.48Å; C975-F983 VanDerWaalsContact CB-CD1 3.48Å; C975-F983 HydrophobicContact CB-CD2 3.8Å; C975-F983 HydrophobicContact CB-CE1 3.23Å; C975-F983 HydrophobicContact CB-CE2 3.57Å; C975-F983 HydrophobicContact CB-CG 3.76Å; C975-F983 HydrophobicContact CB-CZ 3.28Å; R976-F983 HydrophobicContact CB-CD1 4.21Å; L979-F983 HydrophobicContact CB-CB 3.72Å; L979-F983 HydrophobicContact CD1-CB 4.01Å; L979-F983 HydrophobicContact CD1-CD2 4.17Å; L979-F983 HydrophobicContact CD1-CG 4.34Å; Q981-F983 VanDerWaalsContact C-N 3.29Å; F983-P985 HydrophobicContact CD1-CB 4.46Å; F983-P985 HydrophobicContact CE1-CB 3.59Å; F983-P985 HydrophobicContact CE1-CG 4.27Å; F983-P985 HydrophobicContact CZ-CB 3.8Å; F983-P985 WeakPolarHBondContact O-CD 3.45Å; F983-M988 HydrophobicContact CD2-CB 3.82Å; F983-M988 HydrophobicContact CD2-SD 4.16Å; F983-M988 HydrophobicContact CE2-CB 3.63Å; F983-M988 VanDerWaalsContact CE2-O 3.22Å; F983-M988 WeakPolarHBondContact CE2-O 3.26Å; F983-M988 WeakPolarHBondContact CZ-O 3.23Å; F983-C990 HydrophobicContact CD2-CB 4.45Å; F983-C990 HydrophobicContact CE2-CB 4.32Å
984	F	59.9	Low	69.4	Low	44 Å²	44	46.3 Å²	46.3	19%	0.193	24%	0.238	C	C	.	.			trans	-99.2	94.4	177.4	-67	-85.5	0	0	0	110.4	I159 Y907 T982 S986 L987 M988	I159-F984 HydrophobicContact CG2-CE1 3.88Å; I159-F984 HydrophobicContact CG2-CZ 4.19Å; Y907-F984 WeakPolarHBondContact OH-CD1 3.12Å; Y907-F984 WeakPolarHBondContact OH-CD2 3.3Å; Y907-F984 VanDerWaalsContact OH-CE2 3.32Å; Y907-F984 WeakPolarHBondContact OH-CE2 3.42Å; Y907-F984 WeakPolarHBondContact OH-CG 3.44Å; T982-F984 WeakPolarHBondContact O-CD2 3.46Å; T982-F984 WeakPolarHBondContact O-CE2 3.36Å; F984-S986 PolarHBondContact O-N 2.74Å; F984-L987 PolarHBondContact O-N 3.04Å; F984-M988 HydrophobicContact CB-SD 4.15Å; F984-M988 HydrophobicContact CD2-CE 4.26Å; F984-M988 HydrophobicContact CD2-SD 4.33Å; F984-M988 PolarHBondContact N-SD 3.19Å; F984-M988 WeakPolarHBondContact O-CB 3.33Å; F984-M988 PolarHBondContact O-N 3.14Å
985	P	59.5	Low	68.5	Low	24 Å²	24	48.5 Å²	48.5	16%	0.156	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.7	-169.7	24.4	-36	0	0	0	114.4	R102 P972 F983 M988	R102-P985 VanDerWaalsContact NH1-C 3.32Å; R102-P985 PolarHBondContact NH1-O 3.25Å; R102-P985 PolarHBondContact NH2-O 2.87Å; P972-P985 HydrophobicContact CB-CB 4.01Å; F983-P985 HydrophobicContact CD1-CB 4.46Å; F983-P985 HydrophobicContact CE1-CB 3.59Å; F983-P985 HydrophobicContact CE1-CG 4.27Å; F983-P985 HydrophobicContact CZ-CB 3.8Å; F983-P985 WeakPolarHBondContact O-CD 3.45Å; P985-M988 CarbonylContact C-O 3.56Å; P985-M988 WeakPolarHBondContact CA-O 3.27Å
986	S	55.4	Low	67.7	Low	47 Å²	47	51.3 Å²	51.3	33%	0.329	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-31.5	174.6	38.6	0	0	0	0	113.9	F984	F984-S986 PolarHBondContact O-N 2.74Å
987	L	60.4	Low	66.9	Low	23 Å²	23	48.4 Å²	48.4	12%	0.12	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-9.7	-174.2	-56.9	176	0	0	0	112.3	H536 F906 F984	H536-L987 WeakPolarHBondContact CA-O 3.02Å; H536-L987 PolarHBondContact ND1-O 2.96Å; F906-L987 HydrophobicContact CB-CD1 4.03Å; F906-L987 HydrophobicContact CD1-CD1 4.06Å; F906-L987 HydrophobicContact CD1-CD2 4.22Å; F906-L987 HydrophobicContact CE1-CD2 4.42Å; F906-L987 HydrophobicContact CG-CD1 4.12Å; F984-L987 PolarHBondContact O-N 3.04Å
988	M	67	Low	66	Low	7 Å²	7	44.6 Å²	44.6	3%	0.034	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.8	-176.1	-61.9	163.4	172.3	0	0	110.7	M534 V535 H536 F983 F984 P985	M534-M988 HydrophobicContact CE-CE 4.27Å; M534-M988 HydrophobicContact CE-SD 4.21Å; M534-M988 HydrophobicContact CG-SD 4.27Å; M534-M988 HydrophobicContact SD-CE 3.44Å; M534-M988 WeakPolarHBondContact SD-CE 3.22Å; M534-M988 HydrophobicContact SD-SD 3.63Å; M534-M988 VanDerWaalsContact SD-SD 3.63Å; V535-M988 CarbonylContact O-C 3.58Å; V535-M988 VanDerWaalsContact O-CA 3.27Å; V535-M988 WeakPolarHBondContact O-CA 3.21Å; H536-M988 WeakPolarHBondContact CE1-CG 3.32Å; F983-M988 HydrophobicContact CD2-CB 3.82Å; F983-M988 HydrophobicContact CD2-SD 4.16Å; F983-M988 HydrophobicContact CE2-CB 3.63Å; F983-M988 VanDerWaalsContact CE2-O 3.22Å; F983-M988 WeakPolarHBondContact CE2-O 3.26Å; F983-M988 WeakPolarHBondContact CZ-O 3.23Å; F984-M988 HydrophobicContact CB-SD 4.15Å; F984-M988 HydrophobicContact CD2-CE 4.26Å; F984-M988 HydrophobicContact CD2-SD 4.33Å; F984-M988 PolarHBondContact N-SD 3.19Å; F984-M988 WeakPolarHBondContact O-CB 3.33Å; F984-M988 PolarHBondContact O-N 3.14Å; P985-M988 CarbonylContact C-O 3.56Å; P985-M988 WeakPolarHBondContact CA-O 3.27Å
989	Y	71.7	Confident	64.8	Low	26 Å²	26	43.3 Å²	43.3	10%	0.102	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	174.3	142.7	-39.3	-93.1	0	0	0	108.4	M534 V535 T537 G944 A945 F1024	M534-Y989 CarbonylContact C-O 3.51Å; M534-Y989 WeakPolarHBondContact CA-O 3.37Å; V535-Y989 HydrophobicContact CB-CD2 4.22Å; V535-Y989 HydrophobicContact CG1-CD2 4Å; V535-Y989 PolarHBondContact N-O 3.39Å; V535-Y989 WeakPolarHBondContact O-CD2 3.48Å; V535-Y989 PolarHBondContact O-N 3Å; T537-Y989 HydrophobicContact CG2-CE2 3.54Å; T537-Y989 WeakPolarHBondContact CG2-OH 3.2Å; G944-Y989 WeakPolarHBondContact CA-OH 3.21Å; A945-Y989 HydrophobicContact CB-CD1 4.05Å; A945-Y989 HydrophobicContact CB-CD2 4.32Å; A945-Y989 HydrophobicContact CB-CE1 3.74Å; A945-Y989 HydrophobicContact CB-CE2 4.02Å; A945-Y989 HydrophobicContact CB-CG 4.35Å; A945-Y989 PolarHBondContact N-OH 3.22Å; A945-Y989 VanDerWaalsContact N-OH 3.07Å; A945-Y989 WeakPolarHBondContact O-CE1 3.44Å; Y989-F1024 HydrophobicContact CD2-CD1 4.36Å; Y989-F1024 HydrophobicContact CD2-CE1 4.35Å; Y989-F1024 AromaticContact CE2-CD1 3.83Å; Y989-F1024 HydrophobicContact CE2-CD1 3.83Å; Y989-F1024 AromaticContact CE2-CE1 3.48Å; Y989-F1024 HydrophobicContact CE2-CE1 3.48Å; Y989-F1024 VanDerWaalsContact CE2-CE1 3.48Å; Y989-F1024 HydrophobicContact CE2-CE2 4.4Å; Y989-F1024 HydrophobicContact CE2-CG 4.44Å; Y989-F1024 AromaticContact CE2-CZ 3.79Å; Y989-F1024 HydrophobicContact CE2-CZ 3.79Å
990	C	73.8	Confident	63.9	Low	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158.4	160.3	122.4	0	0	0	0	110.7	V533 L970 C975 L979 F983	V533-C990 CarbonylContact O-C 3.53Å; V533-C990 WeakPolarHBondContact O-CA 3.49Å; V533-C990 VanDerWaalsContact O-CB 3.27Å; V533-C990 WeakPolarHBondContact O-CB 3.28Å; L970-C990 WeakPolarHBondContact CB-O 3.36Å; L970-C990 PolarHBondContact N-O 2.93Å; C975-C990 HydrophobicContact CB-CB 4.12Å; C975-C990 VanDerWaalsContact SG-CB 3.55Å; C975-C990 PolarHBondContact SG-N 2.87Å; C975-C990 VanDerWaalsContact SG-N 3.38Å; L979-C990 HydrophobicContact CD1-CB 3.84Å; F983-C990 HydrophobicContact CD2-CB 4.45Å; F983-C990 HydrophobicContact CE2-CB 4.32Å
991	G	78.5	Confident	62.2	Low	1 Å²	1	48.2 Å²	48.2	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	167.4	-179.9	0	0	0	0	0	113.2	V533 Q968	V533-G991 PolarHBondContact N-O 3.48Å; V533-G991 PolarHBondContact O-N 3.02Å; Q968-G991 CarbonylContact O-C 3.41Å; Q968-G991 WeakPolarHBondContact O-CA 3.02Å
992	I	78.7	Confident	61.2	Low	18 Å²	18	48.1 Å²	48.1	9%	0.092	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.6	-178.8	-57.1	-178.2	0	0	0	110.2	H530 E531 Y967 Q968 L970 R978	H530-I992 HydrophobicContact CB-CG2 3.96Å; E531-I992 WeakPolarHBondContact O-CA 3.49Å; Y967-I992 CarbonylContact C-O 3.43Å; Y967-I992 WeakPolarHBondContact CA-O 3.18Å; Y967-I992 WeakPolarHBondContact CB-O 3.37Å; Q968-I992 PolarHBondContact N-O 3.02Å; Q968-I992 PolarHBondContact O-N 3.08Å; L970-I992 HydrophobicContact CD1-CD1 3.96Å; L970-I992 HydrophobicContact CD1-CG1 3.89Å; L970-I992 HydrophobicContact CD2-CD1 3.86Å; L970-I992 HydrophobicContact CD2-CG1 4.07Å; L970-I992 HydrophobicContact CG-CD1 4.29Å; L970-I992 HydrophobicContact CG-CG1 4.07Å; R978-I992 VanDerWaalsContact CZ-CD1 3.5Å
993	G	75.1	Confident	60.1	Low	5 Å²	5	56.5 Å²	56.5	5%	0.052	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	176.5	174.2	0	0	0	0	0	112.4	E531 Y967	E531-G993 PolarHBondContact N-O 2.94Å; E531-G993 PolarHBondContact O-N 3.15Å; Y967-G993 VanDerWaalsContact CD1-N 3.26Å; Y967-G993 VanDerWaalsContact CE1-CA 3.47Å
994	K	69.4	Low	58.6	Low	133 Å²	133	63.4 Å²	63.4	58%	0.578	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	132	175.9	-70.9	-176.6	176.4	-176.6	0	110.3	I997	K994-I997 HydrophobicContact CB-CD1 3.68Å; K994-I997 HydrophobicContact CB-CG1 4.43Å; K994-I997 HydrophobicContact CD-CD1 4.12Å
995	K	66	Low	56.9	Low	124 Å²	124	64.6 Å²	64.6	54%	0.539	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	140.4	-179.4	-168.4	172.4	-177.9	179.9	0	112.8	E531	E531-K995 HydrophobicContact CG-CB 4.1Å; E531-K995 HydrophobicContact CG-CG 4.09Å; E531-K995 VanDerWaalsContact OE1-CA 3.29Å; E531-K995 WeakPolarHBondContact OE1-CA 3.36Å
996	G	58	Low	55.2	Low	58 Å²	58	67.9 Å²	67.9	60%	0.598	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	19.7	161.9	0	0	0	0	0	116.5	E531	E531-G996 PolarHBondContact OE1-N 3.2Å
997	I	59	Low	54.1	Low	70 Å²	70	71.9 Å²	71.9	36%	0.359	36%	0.364	S	S	.	.	S	Bend	trans	-88.6	-15.2	174.3	-54.5	178.9	0	0	0	111.6	C957 V965 K994	C957-I997 WeakPolarHBondContact CB-O 3.45Å; V965-I997 HydrophobicContact CG1-CD1 4.08Å; V965-I997 HydrophobicContact CG2-CB 3.9Å; V965-I997 HydrophobicContact CG2-CD1 4.49Å; V965-I997 HydrophobicContact CG2-CG2 3.49Å; V965-I997 VanDerWaalsContact CG2-CG2 3.49Å; K994-I997 HydrophobicContact CB-CD1 3.68Å; K994-I997 HydrophobicContact CB-CG1 4.43Å; K994-I997 HydrophobicContact CD-CD1 4.12Å
998	L	60.6	Low	52.5	Low	14 Å²	14	71.3 Å²	71.3	7%	0.073	36%	0.361	C	S	.	.	S	Bend	trans	-112.5	145.4	-177.9	-63.5	159.9	0	0	0	109.6	V953 V956 V963 V965 Y1000 L1010	V953-L998 HydrophobicContact CG1-CD1 3.65Å; V953-L998 HydrophobicContact CG1-CD2 4.41Å; V956-L998 CarbonylContact O-C 3.59Å; V956-L998 WeakPolarHBondContact O-CA 3.27Å; V963-L998 HydrophobicContact CG2-CD2 3.71Å; V965-L998 HydrophobicContact CG2-CG 4.44Å; L998-Y1000 PolarHBondContact O-N 2.97Å; L998-L1010 HydrophobicContact CD1-CD1 4.09Å; L998-L1010 HydrophobicContact CD1-CD2 4.15Å; L998-L1010 HydrophobicContact CD1-CG 3.98Å
999	Q	53.9	Low	51.3	Low	56 Å²	56	72.2 Å²	72.2	26%	0.262	37%	0.366	S	S	.	.			trans	-69.7	116.8	-176.7	-170.4	174	-43.7	0	0	111	V956 C957 N1001 C1008	V956-Q999 PolarHBondContact O-N 3.07Å; C957-Q999 PolarHBondContact O-OE1 3.35Å; Q999-N1001 PolarHBondContact NE2-OD1 2.94Å; Q999-C1008 PolarHBondContact O-SG 2.95Å; Q999-C1008 VanDerWaalsContact O-SG 3.37Å
1000	Y	49.5	Very low	50	Low	79 Å²	79	71.1 Å²	71.1	31%	0.31	36%	0.362	S	S	.	.			trans	-106.5	120.1	171.1	-160.3	-72.5	0	0	0	108.3	L998 D1002 C1008 S1030	L998-Y1000 PolarHBondContact O-N 2.97Å; Y1000-D1002 VanDerWaalsContact C-N 3.29Å; Y1000-D1002 HydrophobicContact CD1-CB 4.41Å; Y1000-D1002 WeakPolarHBondContact CD1-OD1 3.31Å; Y1000-D1002 VanDerWaalsContact CE1-OD1 3.31Å; Y1000-D1002 WeakPolarHBondContact CE1-OD1 3.46Å; Y1000-D1002 PolarHBondContact O-N 3.24Å; Y1000-C1008 HydrophobicContact CD2-CB 3.33Å; Y1000-C1008 HydrophobicContact CE2-CB 3.64Å; Y1000-C1008 HydrophobicContact CG-CB 4.07Å; Y1000-S1030 PolarHBondContact OH-OG 3.45Å
1001	N	36.8	Very low	49	Very low	79 Å²	79	71.2 Å²	71.2	42%	0.422	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-83.4	72.9	-178.5	-77.9	-8.5	0	0	0	110.8	Q999 R1003	Q999-N1001 PolarHBondContact NE2-OD1 2.94Å; N1001-R1003 PolarHBondContact O-N 3.22Å
1002	D	36.1	Very low	47.5	Very low	130 Å²	130	71.2 Å²	71.2	70%	0.695	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-2.6	-172.3	-90.5	-39.7	0	0	0	116.6	Y1000	Y1000-D1002 VanDerWaalsContact C-N 3.29Å; Y1000-D1002 HydrophobicContact CD1-CB 4.41Å; Y1000-D1002 WeakPolarHBondContact CD1-OD1 3.31Å; Y1000-D1002 VanDerWaalsContact CE1-OD1 3.31Å; Y1000-D1002 WeakPolarHBondContact CE1-OD1 3.46Å; Y1000-D1002 PolarHBondContact O-N 3.24Å
1003	R	32.5	Very low	46.2	Very low	244 Å²	244	70.5 Å²	70.5	92%	0.921	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-10.9	-170.3	-71.5	-167.9	173.3	-128	-4.2	116.5	N1001	N1001-R1003 PolarHBondContact O-N 3.22Å
1004	L	28	Very low	44.8	Very low	150 Å²	150	70.3 Å²	70.3	79%	0.785	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.5	24	-177	-109.8	148.7	0	0	0	114.9	I1006	L1004-I1006 HydrophobicContact CB-CD1 4.39Å; L1004-I1006 PolarHBondContact O-N 2.99Å
1005	G	24.7	Very low	43.6	Very low	69 Å²	69	64 Å²	64	71%	0.711	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	12.5	177.5	0	0	0	0	0	115.1	R1007	G1005-R1007 PolarHBondContact O-N 3.2Å
1006	I	25.1	Very low	42.3	Very low	92 Å²	92	60.2 Å²	60.2	47%	0.472	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-88.5	96.6	-175.5	-64.1	168.4	0	0	0	110.4	L1004	L1004-I1006 HydrophobicContact CB-CD1 4.39Å; L1004-I1006 PolarHBondContact O-N 2.99Å
1007	R	31.8	Very low	41.3	Very low	132 Å²	132	58.9 Å²	58.9	50%	0.498	29%	0.294	S	S	.	.			trans	28.1	104.7	140.4	-59.7	174.5	-179.7	177.3	1.5	116.1	R864 G1005 N1009	R864-R1007 PolarHBondContact O-NH1 3.46Å; G1005-R1007 PolarHBondContact O-N 3.2Å; R1007-N1009 PolarHBondContact O-ND2 3.42Å; R1007-N1009 VanDerWaalsContact O-ND2 3.1Å
1008	C	27.3	Very low	40	Very low	10 Å²	10	64.1 Å²	64.1	7%	0.068	32%	0.322	C	S	.	.			trans	-68.7	135.2	160.7	-171.6	0	0	0	0	110.8	Q999 Y1000 L1010	Q999-C1008 PolarHBondContact O-SG 2.95Å; Q999-C1008 VanDerWaalsContact O-SG 3.37Å; Y1000-C1008 HydrophobicContact CD2-CB 3.33Å; Y1000-C1008 HydrophobicContact CE2-CB 3.64Å; Y1000-C1008 HydrophobicContact CG-CB 4.07Å; C1008-L1010 VanDerWaalsContact SG-CD1 3.58Å
1009	N	41.6	Very low	38.6	Very low	27 Å²	27	71.5 Å²	71.5	14%	0.144	36%	0.361	C	S	.	.			trans	-116.8	92.1	-171.2	-72.3	-58.5	0	0	0	112	A842 C843 T844 R1007	A842-N1009 PolarHBondContact O-ND2 3.26Å; C843-N1009 HydrophobicContact CB-CB 4.3Å; C843-N1009 PolarHBondContact SG-ND2 3.25Å; C843-N1009 VanDerWaalsContact SG-ND2 3.41Å; C843-N1009 PolarHBondContact SG-OD1 2.86Å; T844-N1009 WeakPolarHBondContact CG2-O 3.39Å; T844-N1009 PolarHBondContact OG1-O 2.9Å; R1007-N1009 PolarHBondContact O-ND2 3.42Å; R1007-N1009 VanDerWaalsContact O-ND2 3.1Å
1010	L	44	Very low	37.6	Very low	2 Å²	2	70.2 Å²	70.2	1%	0.01	36%	0.36	C	S	.	.			trans	-89.5	143.4	159.9	-62.2	58.4	0	0	0	107.3	V533 V953 L998 C1008 T1026 T1028	V533-L1010 HydrophobicContact CG1-CD2 4.16Å; V533-L1010 HydrophobicContact CG2-CD2 3.8Å; V953-L1010 HydrophobicContact CB-CD2 4.32Å; V953-L1010 HydrophobicContact CG1-CB 4.17Å; V953-L1010 HydrophobicContact CG1-CD2 3.54Å; V953-L1010 HydrophobicContact CG1-CG 3.63Å; V953-L1010 HydrophobicContact CG2-CD2 3.75Å; L998-L1010 HydrophobicContact CD1-CD1 4.09Å; L998-L1010 HydrophobicContact CD1-CD2 4.15Å; L998-L1010 HydrophobicContact CD1-CG 3.98Å; C1008-L1010 VanDerWaalsContact SG-CD1 3.58Å; L1010-T1026 CarbonylContact C-O 3.51Å; L1010-T1026 WeakPolarHBondContact CB-OG1 3.12Å; L1010-T1028 HydrophobicContact CD1-CG2 3.73Å; L1010-T1028 HydrophobicContact CD2-CG2 3.86Å
1011	T	51.6	Low	36.6	Very low	3 Å²	3	74 Å²	74	2%	0.018	37%	0.373	C	S	.	.			trans	-135.6	9.4	172.1	57.6	0	0	0	0	113.6	T844 G845	T844-T1011 VanDerWaalsContact O-CG2 3.23Å; T844-T1011 WeakPolarHBondContact O-CG2 3.48Å; T844-T1011 PolarHBondContact OG1-N 3.19Å; T844-T1011 PolarHBondContact OG1-OG1 3.48Å; G845-T1011 VanDerWaalsContact CA-OG1 3.25Å; G845-T1011 WeakPolarHBondContact CA-OG1 3.33Å; G845-T1011 PolarHBondContact N-OG1 3.13Å
1012	A	47.7	Very low	36.4	Very low	1 Å²	1	70.2 Å²	70.2	1%	0.008	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	80.4	-157.4	0	0	0	0	0	111.9	V953 S954 W1023 T1026	V953-A1012 CarbonylContact C-O 3.5Å; V953-A1012 VanDerWaalsContact CA-O 3.25Å; V953-A1012 WeakPolarHBondContact CA-O 3.35Å; S954-A1012 PolarHBondContact N-O 3.44Å; A1012-W1023 HydrophobicContact CB-CE3 4.44Å; A1012-W1023 HydrophobicContact CB-CH2 3.76Å; A1012-W1023 HydrophobicContact CB-CZ3 3.36Å; A1012-T1026 PolarHBondContact N-OG1 3.18Å
1013	V	51.8	Low	36.2	Very low	2 Å²	2	64.9 Å²	64.9	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	111.8	155.9	163.9	0	0	0	0	109.9	V535 C951 F952 V953 C1015 W1023 F1024 T1026	V535-V1013 HydrophobicContact CG1-CB 4.19Å; V535-V1013 HydrophobicContact CG1-CG1 4.28Å; C951-V1013 HydrophobicContact CB-CG1 3.91Å; F952-V1013 WeakPolarHBondContact O-CA 3.49Å; V953-V1013 HydrophobicContact CB-CG2 4.39Å; V953-V1013 HydrophobicContact CG2-CG2 3.47Å; V953-V1013 VanDerWaalsContact CG2-CG2 3.47Å; V1013-C1015 WeakPolarHBondContact CG1-SG 3.29Å; V1013-W1023 WeakPolarHBondContact O-CA 3.48Å; V1013-F1024 HydrophobicContact CB-CB 4.41Å; V1013-F1024 HydrophobicContact CG1-CD2 4.14Å; V1013-F1024 PolarHBondContact N-O 2.92Å; V1013-F1024 PolarHBondContact O-N 3.44Å; V1013-F1024 VanDerWaalsContact O-N 3.1Å; V1013-T1026 HydrophobicContact CB-CG2 3.86Å; V1013-T1026 HydrophobicContact CG2-CG2 3.32Å
1014	M	46.6	Very low	36.5	Very low	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	112.4	162.9	-80.4	-177.8	-99.6	0	0	109.3	F936 C951 F952 S954 R964 F1016 L1022 W1023	F936-M1014 HydrophobicContact CD1-SD 4.04Å; F936-M1014 HydrophobicContact CE1-CE 4.29Å; F936-M1014 HydrophobicContact CE1-SD 3.35Å; F936-M1014 WeakPolarHBondContact CE1-SD 3.42Å; F936-M1014 HydrophobicContact CE2-CE 4.34Å; F936-M1014 HydrophobicContact CE2-SD 4.31Å; F936-M1014 HydrophobicContact CZ-CE 3.82Å; F936-M1014 HydrophobicContact CZ-SD 3.51Å; F936-M1014 VanDerWaalsContact CZ-SD 3.51Å; C951-M1014 CarbonylContact C-O 3.48Å; C951-M1014 VanDerWaalsContact CA-O 3.29Å; C951-M1014 WeakPolarHBondContact CA-O 3.4Å; F952-M1014 PolarHBondContact N-O 3.12Å; F952-M1014 PolarHBondContact O-N 3.13Å; S954-M1014 WeakPolarHBondContact OG-CE 3.32Å; R964-M1014 VanDerWaalsContact CZ-SD 3.53Å; R964-M1014 PolarHBondContact NH1-SD 3.19Å; R964-M1014 VanDerWaalsContact NH2-CB 3.32Å; R964-M1014 PolarHBondContact NH2-SD 3.38Å; M1014-F1016 HydrophobicContact SD-CZ 4.46Å; M1014-L1022 WeakPolarHBondContact CA-O 3.12Å; M1014-W1023 HydrophobicContact CB-CZ2 4.47Å; M1014-W1023 HydrophobicContact CE-CH2 4.06Å; M1014-W1023 HydrophobicContact CE-CZ2 3.86Å; M1014-W1023 HydrophobicContact CG-CD2 4.26Å; M1014-W1023 HydrophobicContact CG-CH2 3.77Å; M1014-W1023 HydrophobicContact CG-CZ2 3.05Å; M1014-W1023 HydrophobicContact SD-CH2 4.34Å; M1014-W1023 HydrophobicContact SD-CZ2 3.56Å; M1014-W1023 VanDerWaalsContact SD-CZ2 3.56Å
1015	C	43.3	Very low	36.7	Very low	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.5	166.3	-68.2	0	0	0	0	110.2	M949 C951 V1013 L1022 F1024	M949-C1015 HydrophobicContact CB-CB 4.23Å; M949-C1015 HydrophobicContact SD-CB 3.71Å; C951-C1015 HydrophobicContact CB-CB 4.17Å; C951-C1015 WeakPolarHBondContact CB-SG 3.43Å; C951-C1015 WeakPolarHBondContact SG-CB 3.37Å; C951-C1015 CovalentContact SG-SG 2.04Å; C951-C1015 PolarHBondContact SG-SG 3.07Å; V1013-C1015 WeakPolarHBondContact CG1-SG 3.29Å; C1015-L1022 HydrophobicContact CB-CB 4.13Å; C1015-L1022 PolarHBondContact N-O 2.74Å; C1015-L1022 PolarHBondContact O-N 2.61Å; C1015-F1024 HydrophobicContact CB-CE2 4.15Å
1016	F	39	Very low	37.2	Very low	45 Å²	45	43.7 Å²	43.7	20%	0.197	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.1	170.3	-63.8	-60.9	0	0	0	110.3	L823 P824 Q950 F952 M1014 R1021	L823-F1016 HydrophobicContact CD1-CE2 4.17Å; L823-F1016 HydrophobicContact CD2-CD2 4.16Å; L823-F1016 HydrophobicContact CD2-CE2 3.54Å; L823-F1016 HydrophobicContact CD2-CZ 4.12Å; L823-F1016 HydrophobicContact CG-CE2 4.41Å; P824-F1016 HydrophobicContact CG-CZ 4.3Å; Q950-F1016 PolarHBondContact N-O 3.34Å; Q950-F1016 PolarHBondContact O-N 3.23Å; F952-F1016 HydrophobicContact CD2-CD2 4.23Å; F952-F1016 HydrophobicContact CD2-CE2 4.45Å; F952-F1016 HydrophobicContact CE2-CD2 4.09Å; F952-F1016 HydrophobicContact CE2-CE2 4.49Å; M1014-F1016 HydrophobicContact SD-CZ 4.46Å; F1016-R1021 HydrophobicContact CE1-CG 4.36Å
1017	S	35.7	Very low	37.6	Very low	30 Å²	30	39.5 Å²	39.5	21%	0.21	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	158.9	147.8	-178.2	0	0	0	0	107.9	Y946 L1019 A1020	Y946-S1017 WeakPolarHBondContact OH-CB 3.2Å; Y946-S1017 PolarHBondContact OH-OG 3.3Å; S1017-L1019 PolarHBondContact O-N 3.49Å; S1017-A1020 PolarHBondContact N-O 3.21Å; S1017-A1020 VanDerWaalsContact N-O 3.1Å; S1017-A1020 PolarHBondContact O-N 3.23Å
1018	L	32.3	Very low	37.8	Very low	181 Å²	181	34.3 Å²	34.3	95%	0.948	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-16.6	175.3	-93.6	85.3	0	0	0	113.3
1019	L	32.4	Very low	38.1	Very low	169 Å²	169	39 Å²	39	89%	0.885	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.4	3.6	-178.7	-61.8	173.4	0	0	0	114.3	S1017	S1017-L1019 PolarHBondContact O-N 3.49Å
1020	A	31.1	Very low	37.7	Very low	29 Å²	29	40.9 Å²	40.9	24%	0.24	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	139.1	-176.6	0	0	0	0	0	114.6	T943 S1017 L1022	T943-A1020 HydrophobicContact CG2-CB 4.27Å; S1017-A1020 PolarHBondContact N-O 3.21Å; S1017-A1020 VanDerWaalsContact N-O 3.1Å; S1017-A1020 PolarHBondContact O-N 3.23Å; A1020-L1022 HydrophobicContact CB-CD1 3.65Å
1021	R	30.1	Very low	36.8	Very low	157 Å²	157	44.1 Å²	44.1	59%	0.592	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.1	167.8	-62.4	178.1	178.3	177.4	-0.8	108.5	F1016	F1016-R1021 HydrophobicContact CE1-CG 4.36Å
1022	L	31.8	Very low	35.7	Very low	1 Å²	1	52 Å²	52	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.9	178.5	-64.4	95.8	0	0	0	112.3	P939 T943 M949 M1014 C1015 A1020 F1024	P939-L1022 HydrophobicContact CB-CB 4.25Å; P939-L1022 HydrophobicContact CB-CD2 4.08Å; P939-L1022 HydrophobicContact CB-CG 3.91Å; T943-L1022 HydrophobicContact CG2-CD1 4.27Å; T943-L1022 HydrophobicContact CG2-CD2 3.85Å; T943-L1022 HydrophobicContact CG2-CG 4.29Å; T943-L1022 WeakPolarHBondContact O-CD2 3.31Å; M949-L1022 HydrophobicContact CE-CD1 3.56Å; M949-L1022 HydrophobicContact CE-CD2 4.04Å; M949-L1022 HydrophobicContact CE-CG 4.46Å; M949-L1022 HydrophobicContact SD-CD1 3.83Å; M949-L1022 HydrophobicContact SD-CD2 4.44Å; M1014-L1022 WeakPolarHBondContact CA-O 3.12Å; C1015-L1022 HydrophobicContact CB-CB 4.13Å; C1015-L1022 PolarHBondContact N-O 2.74Å; C1015-L1022 PolarHBondContact O-N 2.61Å; A1020-L1022 HydrophobicContact CB-CD1 3.65Å; L1022-F1024 HydrophobicContact CB-CE2 3.75Å; L1022-F1024 HydrophobicContact CB-CZ 3.83Å; L1022-F1024 HydrophobicContact CD2-CE2 4.33Å; L1022-F1024 HydrophobicContact CD2-CZ 3.74Å; L1022-F1024 HydrophobicContact CG-CZ 4.47Å
1023	W	31.5	Very low	34.6	Very low	17 Å²	17	57.5 Å²	57.5	6%	0.064	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	133.1	-170	-92.5	85.2	0	0	0	112.8	T846 F936 L938 A1012 V1013 M1014	T846-W1023 HydrophobicContact CG2-CE3 4.06Å; T846-W1023 HydrophobicContact CG2-CH2 3.59Å; T846-W1023 HydrophobicContact CG2-CZ2 4.2Å; T846-W1023 HydrophobicContact CG2-CZ3 3.51Å; T846-W1023 WeakPolarHBondContact OG1-CZ3 3.49Å; F936-W1023 HydrophobicContact CB-CD2 4.27Å; F936-W1023 VanDerWaalsContact CB-CE2 3.42Å; F936-W1023 HydrophobicContact CB-CG 4.45Å; F936-W1023 HydrophobicContact CB-CZ2 3.76Å; F936-W1023 AromaticContact CD1-CE2 3.92Å; F936-W1023 AromaticContact CD1-CZ2 3.71Å; F936-W1023 HydrophobicContact CD1-CZ2 3.71Å; F936-W1023 AromaticContact CD1-NE1 3.57Å; F936-W1023 AromaticContact CD2-CE2 3.78Å; F936-W1023 AromaticContact CD2-CH2 3.78Å; F936-W1023 HydrophobicContact CD2-CH2 3.78Å; F936-W1023 AromaticContact CD2-CZ2 3.11Å; F936-W1023 HydrophobicContact CD2-CZ2 3.11Å; F936-W1023 HydrophobicContact CE1-CZ2 4.02Å; F936-W1023 AromaticContact CE2-CH2 3.96Å; F936-W1023 HydrophobicContact CE2-CH2 3.96Å; F936-W1023 AromaticContact CE2-CZ2 3.46Å; F936-W1023 HydrophobicContact CE2-CZ2 3.46Å; F936-W1023 VanDerWaalsContact CE2-CZ2 3.46Å; F936-W1023 AromaticContact CG-CE2 3.44Å; F936-W1023 VanDerWaalsContact CG-CE2 3.44Å; F936-W1023 HydrophobicContact CG-CH2 4.31Å; F936-W1023 AromaticContact CG-CZ2 3.24Å; F936-W1023 HydrophobicContact CG-CZ2 3.24Å; F936-W1023 AromaticContact CG-NE1 3.37Å; F936-W1023 AromaticContact CZ-CZ2 3.9Å; F936-W1023 HydrophobicContact CZ-CZ2 3.9Å; L938-W1023 HydrophobicContact CD2-CB 4.35Å; A1012-W1023 HydrophobicContact CB-CE3 4.44Å; A1012-W1023 HydrophobicContact CB-CH2 3.76Å; A1012-W1023 HydrophobicContact CB-CZ3 3.36Å; V1013-W1023 WeakPolarHBondContact O-CA 3.48Å; M1014-W1023 HydrophobicContact CB-CZ2 4.47Å; M1014-W1023 HydrophobicContact CE-CH2 4.06Å; M1014-W1023 HydrophobicContact CE-CZ2 3.86Å; M1014-W1023 HydrophobicContact CG-CD2 4.26Å; M1014-W1023 HydrophobicContact CG-CH2 3.77Å; M1014-W1023 HydrophobicContact CG-CZ2 3.05Å; M1014-W1023 HydrophobicContact SD-CH2 4.34Å; M1014-W1023 HydrophobicContact SD-CZ2 3.56Å; M1014-W1023 VanDerWaalsContact SD-CZ2 3.56Å
1024	F	38.4	Very low	33.2	Very low	7 Å²	7	65 Å²	65	3%	0.031	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	146.9	-176	-51	-68.6	0	0	0	112.2	V535 H536 T537 A945 Y989 V1013 C1015 L1022	V535-F1024 HydrophobicContact CG1-CB 3.26Å; V535-F1024 HydrophobicContact CG1-CD2 3.81Å; V535-F1024 HydrophobicContact CG1-CG 3.61Å; H536-F1024 VanDerWaalsContact O-CA 3.28Å; H536-F1024 WeakPolarHBondContact O-CA 3.24Å; H536-F1024 WeakPolarHBondContact O-CB 3.38Å; H536-F1024 WeakPolarHBondContact O-CD1 3.14Å; T537-F1024 HydrophobicContact CG2-CD1 4.5Å; T537-F1024 HydrophobicContact CG2-CE1 4.24Å; A945-F1024 HydrophobicContact CB-CE2 3.71Å; A945-F1024 HydrophobicContact CB-CZ 3.71Å; Y989-F1024 HydrophobicContact CD2-CD1 4.36Å; Y989-F1024 HydrophobicContact CD2-CE1 4.35Å; Y989-F1024 AromaticContact CE2-CD1 3.83Å; Y989-F1024 HydrophobicContact CE2-CD1 3.83Å; Y989-F1024 AromaticContact CE2-CE1 3.48Å; Y989-F1024 HydrophobicContact CE2-CE1 3.48Å; Y989-F1024 VanDerWaalsContact CE2-CE1 3.48Å; Y989-F1024 HydrophobicContact CE2-CE2 4.4Å; Y989-F1024 HydrophobicContact CE2-CG 4.44Å; Y989-F1024 AromaticContact CE2-CZ 3.79Å; Y989-F1024 HydrophobicContact CE2-CZ 3.79Å; V1013-F1024 HydrophobicContact CB-CB 4.41Å; V1013-F1024 HydrophobicContact CG1-CD2 4.14Å; V1013-F1024 PolarHBondContact N-O 2.92Å; V1013-F1024 PolarHBondContact O-N 3.44Å; V1013-F1024 VanDerWaalsContact O-N 3.1Å; C1015-F1024 HydrophobicContact CB-CE2 4.15Å; L1022-F1024 HydrophobicContact CB-CE2 3.75Å; L1022-F1024 HydrophobicContact CB-CZ 3.83Å; L1022-F1024 HydrophobicContact CD2-CE2 4.33Å; L1022-F1024 HydrophobicContact CD2-CZ 3.74Å; L1022-F1024 HydrophobicContact CG-CZ 4.47Å
1025	V	32.2	Very low	31.9	Very low	11 Å²	11	72.9 Å²	72.9	7%	0.067	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	139	176.1	176.1	0	0	0	0	110	V535 H536 I860 A862	V535-V1025 CarbonylContact C-O 3.45Å; H536-V1025 WeakPolarHBondContact CB-O 3.2Å; H536-V1025 PolarHBondContact N-O 3Å; H536-V1025 PolarHBondContact O-N 3.09Å; I860-V1025 HydrophobicContact CG2-CG2 4.16Å; A862-V1025 HydrophobicContact CB-CG1 3.74Å
1026	T	36.5	Very low	30.9	Very low	0 Å²	0	81 Å²	81	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.8	-162.7	30.9	0	0	0	0	116	V533 M534 V535 L1010 A1012 V1013	V533-T1026 HydrophobicContact CG1-CG2 3.43Å; V533-T1026 VanDerWaalsContact CG1-CG2 3.43Å; M534-T1026 CarbonylContact O-C 3.55Å; M534-T1026 WeakPolarHBondContact O-CA 3.07Å; M534-T1026 WeakPolarHBondContact O-CG2 3.3Å; V535-T1026 HydrophobicContact CB-CG2 4.06Å; V535-T1026 HydrophobicContact CG1-CG2 4.07Å; V535-T1026 HydrophobicContact CG2-CG2 3.76Å; L1010-T1026 CarbonylContact C-O 3.51Å; L1010-T1026 WeakPolarHBondContact CB-OG1 3.12Å; A1012-T1026 PolarHBondContact N-OG1 3.18Å; V1013-T1026 HydrophobicContact CB-CG2 3.86Å; V1013-T1026 HydrophobicContact CG2-CG2 3.32Å
1027	F	32.5	Very low	30	Very low	5 Å²	5	86.1 Å²	86.1	2%	0.022	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	114.9	176.2	-56.7	-46.1	0	0	0	111.1	V533 M534 H536 A862 R864 M916	V533-F1027 CarbonylContact C-O 3.59Å; V533-F1027 VanDerWaalsContact CA-O 3.31Å; V533-F1027 WeakPolarHBondContact CA-O 3.36Å; M534-F1027 HydrophobicContact CB-CB 4.49Å; M534-F1027 PolarHBondContact N-O 2.82Å; M534-F1027 PolarHBondContact O-N 2.94Å; H536-F1027 AromaticContact CD2-CD2 3.65Å; H536-F1027 AromaticContact CD2-CE2 3.42Å; H536-F1027 VanDerWaalsContact CD2-CE2 3.42Å; H536-F1027 WeakPolarHBondContact CD2-CE2 3.42Å; H536-F1027 AromaticContact NE2-CD2 3.31Å; H536-F1027 VanDerWaalsContact NE2-CD2 3.31Å; H536-F1027 WeakPolarHBondContact NE2-CD2 3.27Å; H536-F1027 AromaticContact NE2-CE2 3.21Å; H536-F1027 WeakPolarHBondContact NE2-CE2 3.49Å; A862-F1027 HydrophobicContact CB-CE1 3.48Å; A862-F1027 VanDerWaalsContact CB-CE1 3.48Å; A862-F1027 HydrophobicContact CB-CZ 3.7Å; R864-F1027 VanDerWaalsContact CD-CE1 3.47Å; R864-F1027 HydrophobicContact CG-CE1 3.86Å; R864-F1027 HydrophobicContact CG-CZ 4.2Å; R864-F1027 VanDerWaalsContact CZ-CG 3.42Å; R864-F1027 VanDerWaalsContact NH1-CD1 3.35Å; R864-F1027 VanDerWaalsContact NH2-CD2 3.29Å; M916-F1027 HydrophobicContact SD-CD2 4.36Å; M916-F1027 HydrophobicContact SD-CE2 4.22Å
1028	T	35.8	Very low	29.4	Very low	22 Å²	22	91.5 Å²	91.5	14%	0.135	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131	160.6	44	0	0	0	0	109.7	H532 V533 L1010	H532-T1028 WeakPolarHBondContact O-CA 3.45Å; V533-T1028 HydrophobicContact CG2-CG2 3.52Å; L1010-T1028 HydrophobicContact CD1-CG2 3.73Å; L1010-T1028 HydrophobicContact CD2-CG2 3.86Å
1029	E	33.3	Very low	29	Very low	109 Å²	109	88.4 Å²	88.4	51%	0.509	47%	0.471	S	S	.	.			trans	-109.8	108.5	163.9	-169	161.6	-139	0	0	107.3	H532 G1031	H532-E1029 PolarHBondContact O-N 2.99Å; H532-E1029 VanDerWaalsContact O-N 3.16Å; E1029-G1031 PolarHBondContact O-N 3.34Å
1030	S	33.3	Very low	28.7	Very low	66 Å²	66	88.7 Å²	88.7	46%	0.462	47%	0.467	S	S	.	.			trans	-75.3	106.9	-175.9	54.4	0	0	0	0	110.1	Y1000 H1032	Y1000-S1030 PolarHBondContact OH-OG 3.45Å; S1030-H1032 PolarHBondContact O-N 2.76Å
1031	G	26.7	Very low	28.6	Very low	71 Å²	71	93.8 Å²	93.8	73%	0.732	50%	0.498	S	S	*	.			trans	-63	100.3	-177.8	0	0	0	0	0	113.6	E1029	E1029-G1031 PolarHBondContact O-N 3.34Å
1032	H	28.3	Very low	28.5	Very low	168 Å²	168	89.5 Å²	89.5	78%	0.778	50%	0.503	S	S	*	.			trans	-119.5	163.7	152.8	-84.9	-103.5	0	0	0	108.7	S1030	S1030-H1032 PolarHBondContact O-N 2.76Å
1033	S	23.4	Very low	28.4	Very low	116 Å²	116	97.5 Å²	97.5	81%	0.811	55%	0.545	S	S	*	.			trans	-58	154.2	-165.4	-166.9	0	0	0	0	114.3	E1035	S1033-E1035 PolarHBondContact O-N 3.07Å; S1033-E1035 VanDerWaalsContact O-N 3.12Å
1034	L	22.1	Very low	28.3	Very low	159 Å²	159	102.5 Å²	102.5	83%	0.832	58%	0.579	S	S	*	*			trans	-60.8	113	163.1	-82	80.3	0	0	0	109.5
1035	E	20.7	Very low	27.7	Very low	168 Å²	168	112.4 Å²	112.4	79%	0.785	62%	0.622	S	S	*	*			trans	-147.2	115.9	148.9	-160.5	162.8	-149.8	0	0	109.3	S1033 M1037	S1033-E1035 PolarHBondContact O-N 3.07Å; S1033-E1035 VanDerWaalsContact O-N 3.12Å; E1035-M1037 PolarHBondContact O-N 2.88Å
1036	F	21.2	Very low	27.6	Very low	170 Å²	170	117 Å²	117	75%	0.746	66%	0.655	S	S	*	*			trans	-83.8	93.2	-178.4	-93.5	-95.4	0	0	0	110.2
1037	M	20.5	Very low	27.4	Very low	152 Å²	152	123.8 Å²	123.8	75%	0.749	70%	0.697	S	S	*	*			trans	-112.1	106	160.4	-74.8	-142.2	178.9	0	0	111	E1035 T1039	E1035-M1037 PolarHBondContact O-N 2.88Å; M1037-T1039 PolarHBondContact O-N 3.21Å
1038	I	22.9	Very low	27.3	Very low	143 Å²	143	129.5 Å²	129.5	73%	0.733	73%	0.732	S	S	*	*			trans	-78.5	107.3	171.8	-58.5	171.5	0	0	0	107.9
1039	T	23.3	Very low	27	Very low	116 Å²	116	136.1 Å²	136.1	71%	0.712	77%	0.766	S	S	*	*			trans	-128.7	119.5	170.7	45.2	0	0	0	0	110	M1037 P1041	M1037-T1039 PolarHBondContact O-N 3.21Å; T1039-P1041 WeakPolarHBondContact O-CD 3.17Å
1040	H	27.9	Very low	27	Very low	175 Å²	175	136 Å²	136	81%	0.81	77%	0.769	S	S	*	*			trans	-83.2	124.2	177	-64.7	-48.6	0	0	0	110.6	G1042	H1040-G1042 PolarHBondContact O-N 2.78Å
1041	P	27.6	Very low	26.9	Very low	136 Å²	136	138.3 Å²	138.3	88%	0.883	78%	0.781	S	S	*	*			trans	-82.5	106.8	169.3	31.6	-30.3	0	0	0	109.6	T1039	T1039-P1041 WeakPolarHBondContact O-CD 3.17Å
1042	G	27.7	Very low	27.3	Very low	68 Å²	68	143.3 Å²	143.3	70%	0.701	78%	0.782	S	S	*	*			trans	171.9	38.9	-178	0	0	0	0	0	119.2	H1040	H1040-G1042 PolarHBondContact O-N 2.78Å
1043	L	30.2	Very low	27.7	Very low	169 Å²	169	144.5 Å²	144.5	89%	0.885	79%	0.785	S	S	*	*			trans	-148.4	143.7	163.4	-95.7	124.9	0	0	0	110.8
1044	P	29.8	Very low	28.1	Very low	121 Å²	121	147.5 Å²	147.5	79%	0.786	79%	0.786	S	S	*	*			trans	-73.5	153.5	-179.9	30.3	-35.5	0	0	0	112.8	S1046	P1044-S1046 PolarHBondContact O-N 3.05Å
1045	K	26.6	Very low	28.7	Very low	215 Å²	215	145.8 Å²	145.8	94%	0.935	78%	0.783	S	S	*	*			trans	-75.9	118.2	177.3	-58	174.1	-177.1	176.4	0	110.7
1046	S	28.7	Very low	29.4	Very low	108 Å²	108	143.1 Å²	143.1	76%	0.755	78%	0.778	S	S	*	*			trans	165.8	107.9	137.8	-176.6	0	0	0	0	112.2	P1044	P1044-S1046 PolarHBondContact O-N 3.05Å
1047	T	32.5	Very low	29.9	Very low	142 Å²	142	141.8 Å²	141.8	87%	0.871	78%	0.777	S	S	*	*			trans	167.3	164.6	134.2	33.7	0	0	0	0	110.1
1048	T	31.6	Very low	30.6	Very low	125 Å²	125	140 Å²	140	77%	0.767	78%	0.775	S	S	*	*			trans	-123.9	140.3	-154.9	51.3	0	0	0	0	115.9
1049	L	29.2	Very low	31.1	Very low	161 Å²	161	141.7 Å²	141.7	84%	0.843	78%	0.777	S	S	*	*			trans	62.1	155.8	162.3	-86.9	65.2	0	0	0	116.1
1050	D	33.6	Very low	31.5	Very low	106 Å²	106	143.1 Å²	143.1	57%	0.567	78%	0.779	S	S	*	*			cis	-129.2	154.5	28.8	-177.6	29.8	0	0	0	114.5	K1052	D1050-K1052 IonicContact OD2-NZ 3.07Å; D1050-K1052 PolarHBondContact OD2-NZ 2.89Å; D1050-K1052 VanDerWaalsContact OD2-NZ 3.07Å
1051	T	30.9	Very low	31.7	Very low	116 Å²	116	142.2 Å²	142.2	71%	0.712	78%	0.78	S	S	*	*			trans	-86.3	99.7	-177.3	38.9	0	0	0	0	113.1
1052	K	35.7	Very low	31.6	Very low	175 Å²	175	140.4 Å²	140.4	76%	0.761	77%	0.77	S	S	*	*			trans	-154	5.9	177.2	-111.1	150.3	-155.5	149	0	120	D1050	D1050-K1052 IonicContact OD2-NZ 3.07Å; D1050-K1052 PolarHBondContact OD2-NZ 2.89Å; D1050-K1052 VanDerWaalsContact OD2-NZ 3.07Å
1053	K	35.2	Very low	31.7	Very low	193 Å²	193	146.1 Å²	146.1	84%	0.839	80%	0.8	S	S	*	*			trans	-125.5	17.2	-173.5	-71.4	-171.8	176.6	177.4	0	116.6	T1055	K1053-T1055 PolarHBondContact O-N 3.42Å
1054	Q	31.5	Very low	31.8	Very low	180 Å²	180	145 Å²	145	84%	0.841	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	5.6	-169.3	-152.4	162	1.6	0	0	115.4
1055	T	36.1	Very low	31.9	Very low	123 Å²	123	146.2 Å²	146.2	76%	0.755	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	2.9	-165.9	-26.2	0	0	0	0	115.3	K1053	K1053-T1055 PolarHBondContact O-N 3.42Å
1056	V	35.7	Very low	32.2	Very low	112 Å²	112	142.4 Å²	142.4	68%	0.679	79%	0.788	S	S	*	*	S	Bend	trans	-101.1	-29.4	-173.2	-178.1	0	0	0	0	113.2	T1058	V1056-T1058 VanDerWaalsContact C-N 3.28Å; V1056-T1058 PolarHBondContact O-N 2.65Å
1057	L	30.8	Very low	32.4	Very low	141 Å²	141	144.4 Å²	144.4	74%	0.738	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-68.6	-26.2	-174	-143.1	73.6	0	0	0	113.3	K1059	L1057-K1059 PolarHBondContact O-N 2.74Å
1058	T	34.6	Very low	32.4	Very low	114 Å²	114	144.6 Å²	144.6	70%	0.699	79%	0.785	S	S	*	*	G	3₁₀ helix	trans	-78.9	5.6	-173.1	-20.4	0	0	0	0	114.9	V1056	V1056-T1058 VanDerWaalsContact C-N 3.28Å; V1056-T1058 PolarHBondContact O-N 2.65Å
1059	K	33.3	Very low	32.5	Very low	180 Å²	180	145.9 Å²	145.9	78%	0.783	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-118.8	-0.1	177.1	-80.5	-168.6	171.9	-172.9	0	115.1	L1057	L1057-K1059 PolarHBondContact O-N 2.74Å
1060	L	32.1	Very low	32.7	Very low	145 Å²	145	144.8 Å²	144.8	76%	0.759	78%	0.782	S	S	*	*	S	Bend	trans	-100.3	10.7	175.1	-75.9	165	0	0	0	113.1
1061	L	31.3	Very low	32.7	Very low	156 Å²	156	147.8 Å²	147.8	82%	0.817	80%	0.799	S	S	*	*	S	Bend	trans	-123.8	26.3	-178.1	-68.4	170.2	0	0	0	112.1
1062	S	26.7	Very low	32.8	Very low	98 Å²	98	150.4 Å²	150.4	69%	0.685	81%	0.806	S	S	*	*			trans	-147.5	42.9	-178.2	72.2	0	0	0	0	113
1063	S	30.7	Very low	32.5	Very low	188 Å²	188	148.2 Å²	148.2	100%	1.315	81%	0.81	S	S	*	*			trans	-147.8	0	170.1	-176	0	0	0	0	110.4

Retrieved 1,063 of 1,063 residues in 382.4 ms (Link to these results)

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