A0A5K4FAB1_SCHMA Loading...

RING-type E3 ubiquitin transferase BRCA1

AlphaFold DB , UniProt , Accession A0A5K4FAB1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,343 aa.

						>A0A5K4FAB1_SCHMA|A0A5K4FAB1
MEFSSVSEIEHCLGGIKQFLRCPICLDDVLNPVVTPCSHIYCKFCMDKHFEKKRNANCPLCNKNLSSRSLKSSSKVVTVIDLCKKIISTYESEAKTKLVSRDLVGSLHLSQELTQVDATTSCVLPTSRNSGDFQINGKDIRPRPRNRILLGTTARTQRTKQMNKQISAPPFEEVLTQPMRSLSASTEVKELGLPKQSVENSDAFLDIFSLTQQTQPMIDSFDSGSLFAPVEGMGHTNFLDNTRVDHNTQKHESKPISKLLRKTSKRIRRAACLPPLPPVTRTAVLTRNSPEAVFHGSLPSHNSVSLKRSSNSPFADEKNRKQCRRESNCSVLSGQGLVTKTHEVLCHVQPSENLYVNTKSLSSLFNQEEIKSKLDMQPTGPHKSTSACNLKKRSHSFSGSLSHTSSVLAGKRLLQKYCSRPHRLSTIQHSISSKSPGWSRWRQMYHELRRRSSSLRITFHRSSSLVGKMGSKASESHKSHKIRTIGDFSRRSSLSSLGISLPKWGRGVSRSRRRTSEKTVETPLPHDKQENMSDISLNIVQEHSTTSNKSQDGFSPVSRVTKSDCPKETCHFIMPLRRLISRDYFHSKSLRSRLRSSLRQNEVAVSPIIQVKSPHGYSAYKCDLDSPEPRGQLNGSNISNTSYSAIDSCEIYCQPLHCSACGETLVLHTDINSANMISPEPQFSELLLRPPVSILSSSMSSSYWQAEDPGDTIFTDVHLDALVEVNRRYISESDRDYNLKHSSVSLPRDSHRSYLQTNSRENALHHCEIQSSVNVPNLASLKPYNSPTLPPNSSYGNAQPNKNDEPEEIHDKNLANSESPTVQNNDFSRFPDHSNFSTFQGSSSSEIMPTVDRERLRHECEELEAVVAALQKQLEAQADELSPRSTAEILKSACTEPLDDAPVGVTSFTECVPQQSHDEIRTFPGSDVKQIIVSVEKLQTHEPTTIQSSPRLSQVLETCASETVDIIPSSQTEDEPENYHVNVMNPPIISQPTVASFKPEQSNKNEWRNITSPLNSSICDFIPGSLSSSTQNVRDPISPTQNPMTNITQCPETNWSSCNTLVDENWPPKTSDKCQGNIAVTGSNLSPSDAALLRKFCLQFSVSEHSRFIPQKTTHVVIKEEAGRPRVVKRTLKYFMGILNRAWIVNTDWVRECVASKRLLDESPYEIEGDTVCGDCHEGPRRGRLGVPAIPQSLDRLPFRNSSNRLTEAESSDRRPFSELWLCAYRNLGALQVADFCQLALDGGATRVFEKPSELMDATNKLTESMGSKGTDVRKPRAVILTDKDSSEFNLQECQELYRIYGVPVISIEWMLNCISLYRRLPINQAYRICPTPQPVSVSISKS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	63.2	Low	211 Å²	211	103.2 Å²	103.2	100%	1.039	54%	0.541	S	S	*	.				0	101.4	0	-65.3	176.1	-175.2	0	0	107.6	F3	M1-F3 HydrophobicContact CB-CE2 4.27Å; M1-F3 HydrophobicContact CB-CZ 4.39Å; M1-F3 HydrophobicContact SD-CZ 4.34Å
2	E	36.2	Very low	64.7	Low	190 Å²	190	99.2 Å²	99.2	89%	0.888	53%	0.527	S	S	*	.			trans	-98.1	120.2	164.2	-63.4	-163.7	132.2	0	0	107.1
3	F	48.2	Very low	66.3	Low	102 Å²	102	92.6 Å²	92.6	45%	0.447	49%	0.492	S	S	.	.			trans	-83.6	120.7	178	-66.1	-80.3	0	0	0	108.7	M1 E8 I9	M1-F3 HydrophobicContact CB-CE2 4.27Å; M1-F3 HydrophobicContact CB-CZ 4.39Å; M1-F3 HydrophobicContact SD-CZ 4.34Å; F3-E8 HydrophobicContact CD1-CB 4.07Å; F3-I9 HydrophobicContact CB-CD1 4.13Å; F3-I9 HydrophobicContact CB-CG1 3.77Å; F3-I9 HydrophobicContact CD1-CG1 4.37Å; F3-I9 HydrophobicContact CD2-CG1 4.35Å; F3-I9 HydrophobicContact CG-CG1 3.92Å
4	S	53.5	Low	67.4	Low	89 Å²	89	86.8 Å²	86.8	62%	0.622	47%	0.465	S	S	*	.			trans	-77.9	-27.1	-172.1	-68.4	0	0	0	0	112.7	E8	S4-E8 WeakPolarHBondContact CB-OE1 3.2Å; S4-E8 PolarHBondContact N-OE2 3.03Å
5	S	66	Low	68.5	Low	36 Å²	36	82.8 Å²	82.8	25%	0.252	45%	0.453	S	S	.	.			trans	-137.2	154.9	179.9	72.6	0	0	0	0	113.5	S7 E8	S5-S7 VanDerWaalsContact CB-OG 3.26Å; S5-S7 WeakPolarHBondContact CB-OG 3.34Å; S5-S7 PolarHBondContact O-N 3.06Å; S5-S7 PolarHBondContact OG-OG 2.89Å; S5-E8 WeakPolarHBondContact CB-OE1 3.34Å; S5-E8 PolarHBondContact N-OE1 2.83Å; S5-E8 PolarHBondContact O-N 2.95Å; S5-E8 VanDerWaalsContact OG-CD 3.29Å; S5-E8 WeakPolarHBondContact OG-CG 3.34Å; S5-E8 PolarHBondContact OG-N 3.45Å; S5-E8 PolarHBondContact OG-OE1 2.92Å
6	V	73.7	Confident	69.6	Low	92 Å²	92	81.2 Å²	81.2	56%	0.558	44%	0.443	S	S	*	.	H	α-helix	trans	-62.1	-33.1	171.7	179.2	0	0	0	0	110.6	E8 I9 E10	V6-E8 VanDerWaalsContact C-N 3.32Å; V6-E8 PolarHBondContact O-N 3.02Å; V6-I9 WeakPolarHBondContact O-CB 3.19Å; V6-I9 PolarHBondContact O-N 3.07Å; V6-I9 VanDerWaalsContact O-N 3.11Å; V6-E10 HydrophobicContact CG1-CG 4.39Å; V6-E10 PolarHBondContact O-N 3.31Å
7	S	70.5	Confident	70.5	Confident	80 Å²	80	79.1 Å²	79.1	56%	0.559	43%	0.428	S	S	*	.	H	α-helix	trans	-59.9	-33.9	174.6	25.7	0	0	0	0	114	S5 H11	S5-S7 VanDerWaalsContact CB-OG 3.26Å; S5-S7 WeakPolarHBondContact CB-OG 3.34Å; S5-S7 PolarHBondContact O-N 3.06Å; S5-S7 PolarHBondContact OG-OG 2.89Å; S7-H11 VanDerWaalsContact O-CB 3.24Å; S7-H11 WeakPolarHBondContact O-CB 3.42Å; S7-H11 PolarHBondContact O-N 3.15Å
8	E	72.7	Confident	71.1	Confident	69 Å²	69	77.8 Å²	77.8	32%	0.322	42%	0.419	S	S	.	.	H	α-helix	trans	-67.6	-42	172.2	-71.1	144.2	-118.6	0	0	111.2	F3 S4 S5 V6 H11 C12	F3-E8 HydrophobicContact CD1-CB 4.07Å; S4-E8 WeakPolarHBondContact CB-OE1 3.2Å; S4-E8 PolarHBondContact N-OE2 3.03Å; S5-E8 WeakPolarHBondContact CB-OE1 3.34Å; S5-E8 PolarHBondContact N-OE1 2.83Å; S5-E8 PolarHBondContact O-N 2.95Å; S5-E8 VanDerWaalsContact OG-CD 3.29Å; S5-E8 WeakPolarHBondContact OG-CG 3.34Å; S5-E8 PolarHBondContact OG-N 3.45Å; S5-E8 PolarHBondContact OG-OE1 2.92Å; V6-E8 VanDerWaalsContact C-N 3.32Å; V6-E8 PolarHBondContact O-N 3.02Å; E8-H11 WeakPolarHBondContact O-CB 3.26Å; E8-H11 PolarHBondContact O-N 3.41Å; E8-C12 WeakPolarHBondContact O-CB 3.44Å; E8-C12 PolarHBondContact O-N 2.92Å; E8-C12 PolarHBondContact O-SG 3.5Å; E8-C12 VanDerWaalsContact O-SG 3.33Å
9	I	79.8	Confident	71.6	Confident	58 Å²	58	78.8 Å²	78.8	30%	0.297	42%	0.419	S	S	.	.	H	α-helix	trans	-63.2	-44.6	177.8	-59.5	174.5	0	0	0	110.1	F3 V6 C12 L13 Y90	F3-I9 HydrophobicContact CB-CD1 4.13Å; F3-I9 HydrophobicContact CB-CG1 3.77Å; F3-I9 HydrophobicContact CD1-CG1 4.37Å; F3-I9 HydrophobicContact CD2-CG1 4.35Å; F3-I9 HydrophobicContact CG-CG1 3.92Å; V6-I9 WeakPolarHBondContact O-CB 3.19Å; V6-I9 PolarHBondContact O-N 3.07Å; V6-I9 VanDerWaalsContact O-N 3.11Å; I9-C12 PolarHBondContact O-N 2.97Å; I9-L13 HydrophobicContact CG2-CD1 3.76Å; I9-L13 HydrophobicContact CG2-CG 4.31Å; I9-L13 WeakPolarHBondContact O-CB 3.44Å; I9-L13 VanDerWaalsContact O-CG 3.23Å; I9-L13 WeakPolarHBondContact O-CG 3.15Å; I9-L13 PolarHBondContact O-N 3Å; I9-Y90 HydrophobicContact CG2-CD2 4.18Å; I9-Y90 HydrophobicContact CG2-CE2 3.89Å
10	E	78.6	Confident	72.3	Confident	75 Å²	75	75.4 Å²	75.4	35%	0.35	40%	0.401	S	S	.	.	H	α-helix	trans	-66.7	-34.7	175.5	-67.5	-166.7	149	0	0	112.8	V6 G14 Y90 L98	V6-E10 HydrophobicContact CG1-CG 4.39Å; V6-E10 PolarHBondContact O-N 3.31Å; E10-G14 WeakPolarHBondContact O-CA 3.34Å; E10-G14 PolarHBondContact O-N 3.12Å; E10-Y90 VanDerWaalsContact CD-OH 3.25Å; E10-Y90 HydrophobicContact CG-CE1 3.94Å; E10-Y90 WeakPolarHBondContact CG-OH 3.26Å; E10-Y90 PolarHBondContact OE1-OH 3.37Å; E10-L98 HydrophobicContact CB-CD2 4.23Å; E10-L98 HydrophobicContact CG-CD2 4.23Å
11	H	79.7	Confident	73.1	Confident	133 Å²	133	75.5 Å²	75.5	62%	0.616	40%	0.396	S	S	*	.	H	α-helix	trans	-64	-51	173	-171.6	101.9	0	0	0	111.4	S7 E8 G14 G15	S7-H11 VanDerWaalsContact O-CB 3.24Å; S7-H11 WeakPolarHBondContact O-CB 3.42Å; S7-H11 PolarHBondContact O-N 3.15Å; E8-H11 WeakPolarHBondContact O-CB 3.26Å; E8-H11 PolarHBondContact O-N 3.41Å; H11-G14 PolarHBondContact O-N 3.24Å; H11-G15 PolarHBondContact O-N 2.73Å
12	C	81.5	Confident	75.8	Confident	55 Å²	55	65.5 Å²	65.5	37%	0.372	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-44.5	178.3	-69.5	0	0	0	0	112.1	E8 I9 G15 I16	E8-C12 WeakPolarHBondContact O-CB 3.44Å; E8-C12 PolarHBondContact O-N 2.92Å; E8-C12 PolarHBondContact O-SG 3.5Å; E8-C12 VanDerWaalsContact O-SG 3.33Å; I9-C12 PolarHBondContact O-N 2.97Å; C12-G15 PolarHBondContact O-N 3.34Å; C12-I16 VanDerWaalsContact O-CG1 3.26Å; C12-I16 WeakPolarHBondContact O-CG1 3.32Å; C12-I16 PolarHBondContact O-N 3.04Å
13	L	85.5	Confident	78.2	Confident	14 Å²	14	59 Å²	59	7%	0.073	32%	0.321	C	S	.	.	H	α-helix	trans	-71.2	-35.8	179	-66.6	175	0	0	0	112.6	I9 G15 I16 K17 I86 Y90 L98	I9-L13 HydrophobicContact CG2-CD1 3.76Å; I9-L13 HydrophobicContact CG2-CG 4.31Å; I9-L13 WeakPolarHBondContact O-CB 3.44Å; I9-L13 VanDerWaalsContact O-CG 3.23Å; I9-L13 WeakPolarHBondContact O-CG 3.15Å; I9-L13 PolarHBondContact O-N 3Å; L13-G15 VanDerWaalsContact C-N 3.33Å; L13-I16 HydrophobicContact CD2-CD1 4.26Å; L13-I16 PolarHBondContact O-N 3.43Å; L13-K17 WeakPolarHBondContact O-CB 3.46Å; L13-K17 PolarHBondContact O-N 2.89Å; L13-I86 HydrophobicContact CD2-CG2 3.65Å; L13-Y90 HydrophobicContact CD1-CD1 3.89Å; L13-Y90 HydrophobicContact CD1-CD2 3.47Å; L13-Y90 VanDerWaalsContact CD1-CD2 3.47Å; L13-Y90 HydrophobicContact CD1-CE2 4.15Å; L13-Y90 HydrophobicContact CD1-CG 3.33Å; L13-L98 HydrophobicContact CB-CD1 3.61Å; L13-L98 HydrophobicContact CB-CD2 4.08Å; L13-L98 HydrophobicContact CD1-CD1 4.15Å; L13-L98 HydrophobicContact CG-CD1 4.49Å
14	G	81.2	Confident	80.2	Confident	11 Å²	11	57.3 Å²	57.3	11%	0.113	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-40.2	170.7	0	0	0	0	0	112.2	E10 H11 K17 Q18	E10-G14 WeakPolarHBondContact O-CA 3.34Å; E10-G14 PolarHBondContact O-N 3.12Å; H11-G14 PolarHBondContact O-N 3.24Å; G14-K17 PolarHBondContact O-N 2.97Å; G14-Q18 PolarHBondContact O-N 3.34Å
15	G	84.1	Confident	82	Confident	27 Å²	27	55.3 Å²	55.3	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-58.1	-60.6	169	0	0	0	0	0	111.5	H11 C12 L13 K17 Q18 F19	H11-G15 PolarHBondContact O-N 2.73Å; C12-G15 PolarHBondContact O-N 3.34Å; L13-G15 VanDerWaalsContact C-N 3.33Å; G15-K17 PolarHBondContact O-N 2.87Å; G15-K17 VanDerWaalsContact O-N 3.1Å; G15-Q18 WeakPolarHBondContact O-CA 3.48Å; G15-Q18 VanDerWaalsContact O-CB 3.29Å; G15-Q18 WeakPolarHBondContact O-CB 3.4Å; G15-Q18 PolarHBondContact O-N 3.49Å; G15-F19 WeakPolarHBondContact O-CD2 3.47Å; G15-F19 WeakPolarHBondContact O-CE2 3.3Å; G15-F19 PolarHBondContact O-N 3.34Å
16	I	86.5	Confident	83	Confident	57 Å²	57	59.6 Å²	59.6	29%	0.292	32%	0.321	S	S	.	.	H	α-helix	trans	-48.8	-41.8	177.8	-68.3	162.9	0	0	0	111.3	C12 L13 Q18 F19 L20 C83 I87	C12-I16 VanDerWaalsContact O-CG1 3.26Å; C12-I16 WeakPolarHBondContact O-CG1 3.32Å; C12-I16 PolarHBondContact O-N 3.04Å; L13-I16 HydrophobicContact CD2-CD1 4.26Å; L13-I16 PolarHBondContact O-N 3.43Å; I16-Q18 VanDerWaalsContact C-N 3.27Å; I16-Q18 PolarHBondContact O-N 3.04Å; I16-F19 PolarHBondContact O-N 3.3Å; I16-L20 HydrophobicContact CG2-CD1 4.37Å; I16-L20 WeakPolarHBondContact O-CG 3.28Å; I16-L20 PolarHBondContact O-N 3.39Å; I16-C83 HydrophobicContact CG2-CB 3.72Å; I16-I87 HydrophobicContact CG2-CD1 4.04Å
17	K	83.8	Confident	83.7	Confident	46 Å²	46	60.2 Å²	60.2	20%	0.2	32%	0.321	C	S	.	.	H	α-helix	trans	-63.2	-27.5	178.1	-163.4	169.3	-175	176	0	113.8	L13 G14 G15 I87 E91 L98	L13-K17 WeakPolarHBondContact O-CB 3.46Å; L13-K17 PolarHBondContact O-N 2.89Å; G14-K17 PolarHBondContact O-N 2.97Å; G15-K17 PolarHBondContact O-N 2.87Å; G15-K17 VanDerWaalsContact O-N 3.1Å; K17-I87 HydrophobicContact CB-CD1 3.75Å; K17-I87 HydrophobicContact CD-CG2 4.28Å; K17-I87 HydrophobicContact CG-CD1 4.07Å; K17-E91 IonicContact NZ-OE1 3.79Å; K17-E91 PolarHBondContact NZ-OE1 3.43Å; K17-L98 HydrophobicContact CD-CB 4.05Å; K17-L98 PolarHBondContact NZ-O 3.06Å
18	Q	81.4	Confident	84.5	Confident	55 Å²	55	60.1 Å²	60.1	26%	0.257	31%	0.314	S	S	.	.	H	α-helix	trans	-74.2	-39.6	174.5	-170.7	70.3	-20.7	0	0	112.1	G14 G15 I16 L20 R21 L103	G14-Q18 PolarHBondContact O-N 3.34Å; G15-Q18 WeakPolarHBondContact O-CA 3.48Å; G15-Q18 VanDerWaalsContact O-CB 3.29Å; G15-Q18 WeakPolarHBondContact O-CB 3.4Å; G15-Q18 PolarHBondContact O-N 3.49Å; I16-Q18 VanDerWaalsContact C-N 3.27Å; I16-Q18 PolarHBondContact O-N 3.04Å; Q18-L20 PolarHBondContact O-N 3.05Å; Q18-R21 WeakPolarHBondContact O-CB 3.34Å; Q18-R21 PolarHBondContact O-N 2.97Å; Q18-R21 VanDerWaalsContact OE1-CD 3.3Å; Q18-L103 PolarHBondContact NE2-O 2.92Å; Q18-L103 VanDerWaalsContact NE2-O 3.17Å
19	F	80.7	Confident	85.3	Confident	97 Å²	97	57 Å²	57	43%	0.425	30%	0.3	S	S	.	.	H	α-helix	trans	-65.3	-21.9	176.9	-62.7	-86.2	0	0	0	114.3	G15 I16 R21 L107 E112	G15-F19 WeakPolarHBondContact O-CD2 3.47Å; G15-F19 WeakPolarHBondContact O-CE2 3.3Å; G15-F19 PolarHBondContact O-N 3.34Å; I16-F19 PolarHBondContact O-N 3.3Å; F19-R21 VanDerWaalsContact C-N 3.29Å; F19-L107 HydrophobicContact CD1-CB 4.34Å; F19-L107 HydrophobicContact CD1-CD1 4.25Å; F19-L107 HydrophobicContact CE1-CB 3.85Å; F19-L107 HydrophobicContact CE1-CD1 3.33Å; F19-L107 HydrophobicContact CE1-CG 4.08Å; F19-L107 HydrophobicContact CZ-CD1 3.6Å; F19-E112 WeakPolarHBondContact CE1-OE2 3.34Å; F19-E112 WeakPolarHBondContact CZ-OE1 3.25Å; F19-E112 WeakPolarHBondContact CZ-OE2 3.26Å
20	L	86.7	Confident	85.6	Confident	10 Å²	10	59.8 Å²	59.8	5%	0.052	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.5	179.3	-60.9	172.6	0	0	0	113.4	I16 Q18 D28 V29 I80 C83 K84 I87	I16-L20 HydrophobicContact CG2-CD1 4.37Å; I16-L20 WeakPolarHBondContact O-CG 3.28Å; I16-L20 PolarHBondContact O-N 3.39Å; Q18-L20 PolarHBondContact O-N 3.05Å; L20-D28 CarbonylContact O-C 3.52Å; L20-D28 WeakPolarHBondContact O-CA 3.32Å; L20-V29 WeakPolarHBondContact O-CG2 3.35Å; L20-V29 PolarHBondContact O-N 2.91Å; L20-I80 HydrophobicContact CD2-CB 4.16Å; L20-I80 HydrophobicContact CD2-CG1 3.93Å; L20-I80 HydrophobicContact CD2-CG2 4.12Å; L20-C83 HydrophobicContact CD1-CB 3.82Å; L20-C83 HydrophobicContact CD2-CB 3.82Å; L20-C83 HydrophobicContact CG-CB 4.28Å; L20-K84 HydrophobicContact CD1-CG 3.89Å; L20-I87 HydrophobicContact CD1-CD1 3.55Å
21	R	88.6	Confident	86	Confident	78 Å²	78	62.2 Å²	62.2	29%	0.294	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-90.9	142	177.3	-69.9	168.2	152.5	-174.1	-13.7	111.6	Q18 F19 L26 D27 S100 D102	Q18-R21 WeakPolarHBondContact O-CB 3.34Å; Q18-R21 PolarHBondContact O-N 2.97Å; Q18-R21 VanDerWaalsContact OE1-CD 3.3Å; F19-R21 VanDerWaalsContact C-N 3.29Å; R21-L26 WeakPolarHBondContact CG-O 3.28Å; R21-D27 CarbonylContact C-O 3.55Å; R21-D27 WeakPolarHBondContact CA-O 3.48Å; R21-S100 VanDerWaalsContact NH1-CB 3.31Å; R21-D102 IonicContact CZ-OD1 3.7Å; R21-D102 IonicContact NH1-OD1 2.99Å; R21-D102 PolarHBondContact NH1-OD1 3.34Å; R21-D102 IonicContact NH2-OD1 3.83Å
22	C	92.2	Very high	86.5	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.007	31%	0.305	C	S	.	.			trans	-80.7	125.5	175.3	176.9	0	0	0	0	110.6	I24 C25 L26 D27 V29 C42	C22-I24 PolarHBondContact O-N 3.48Å; C22-C25 VanDerWaalsContact CB-SG 3.52Å; C22-C25 PolarHBondContact O-N 3.22Å; C22-L26 VanDerWaalsContact O-CA 3.31Å; C22-L26 WeakPolarHBondContact O-CA 3.47Å; C22-L26 PolarHBondContact O-N 2.87Å; C22-D27 PolarHBondContact N-O 3.4Å; C22-V29 HydrophobicContact CB-CG2 3.95Å; C22-C42 WeakPolarHBondContact CB-SG 3.42Å; C22-C42 PolarHBondContact SG-N 2.85Å; C22-C42 VanDerWaalsContact SG-SG 3.65Å
23	P	87.9	Confident	86.9	Confident	55 Å²	55	54.4 Å²	54.4	36%	0.357	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-1.4	-179.4	-19.6	28.7	0	0	0	116.4	I40 Y41 L60	P23-I40 WeakPolarHBondContact CD-O 3.2Å; P23-Y41 HydrophobicContact CB-CD1 4.42Å; P23-Y41 HydrophobicContact CB-CE1 3.96Å; P23-Y41 HydrophobicContact CG-CD1 4.16Å; P23-Y41 HydrophobicContact CG-CE1 3.86Å; P23-L60 HydrophobicContact CB-CD1 4.16Å; P23-L60 HydrophobicContact CB-CD2 3.91Å; P23-L60 HydrophobicContact CB-CG 4.09Å; P23-L60 HydrophobicContact CG-CD1 3.64Å; P23-L60 HydrophobicContact CG-CD2 4.3Å; P23-L60 HydrophobicContact CG-CG 4.12Å
24	I	88.9	Confident	87.2	Confident	66 Å²	66	55 Å²	55	34%	0.338	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-36.2	-178.2	-60.4	167	0	0	0	112.3	C22 Y41 C45 M46 P59	C22-I24 PolarHBondContact O-N 3.48Å; I24-Y41 HydrophobicContact CD1-CD1 3.41Å; I24-Y41 VanDerWaalsContact CD1-CD1 3.41Å; I24-Y41 HydrophobicContact CD1-CE1 3.89Å; I24-Y41 HydrophobicContact CD1-CG 4.08Å; I24-Y41 HydrophobicContact CG1-CD1 3.73Å; I24-Y41 HydrophobicContact CG1-CE1 3.98Å; I24-C45 HydrophobicContact CB-CB 3.75Å; I24-C45 HydrophobicContact CD1-CB 3.77Å; I24-C45 HydrophobicContact CG1-CB 4.36Å; I24-C45 HydrophobicContact CG2-CB 3.72Å; I24-M46 HydrophobicContact CD1-SD 3.93Å; I24-P59 HydrophobicContact CD1-CG 4.17Å; I24-P59 HydrophobicContact CG1-CG 4.4Å
25	C	91.2	Very high	87.6	Confident	46 Å²	46	54.8 Å²	54.8	31%	0.311	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-8.8	177.8	59.2	0	0	0	0	114.1	C22 D27	C22-C25 VanDerWaalsContact CB-SG 3.52Å; C22-C25 PolarHBondContact O-N 3.22Å; C25-D27 PolarHBondContact O-N 3.06Å
26	L	88.5	Confident	87.7	Confident	126 Å²	126	57.8 Å²	57.8	66%	0.66	31%	0.305	S	S	*	.			trans	63.9	-15	-177.5	-48.3	178.4	0	0	0	115.4	R21 C22	R21-L26 WeakPolarHBondContact CG-O 3.28Å; C22-L26 VanDerWaalsContact O-CA 3.31Å; C22-L26 WeakPolarHBondContact O-CA 3.47Å; C22-L26 PolarHBondContact O-N 2.87Å
27	D	88.5	Confident	87.8	Confident	106 Å²	106	55.3 Å²	55.3	57%	0.567	29%	0.293	S	S	*	.	S	Bend	trans	-64.3	161.6	165.4	-58	-57.3	0	0	0	113.1	R21 C22 C25 V29	R21-D27 CarbonylContact C-O 3.55Å; R21-D27 WeakPolarHBondContact CA-O 3.48Å; C22-D27 PolarHBondContact N-O 3.4Å; C25-D27 PolarHBondContact O-N 3.06Å; D27-V29 PolarHBondContact O-N 2.91Å
28	D	86.5	Confident	88	Confident	77 Å²	77	54.2 Å²	54.2	41%	0.412	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-35.1	132.2	159.2	-98.1	32.8	0	0	0	113.4	L20 L30 K84	L20-D28 CarbonylContact O-C 3.52Å; L20-D28 WeakPolarHBondContact O-CA 3.32Å; D28-L30 PolarHBondContact O-N 3.47Å; D28-K84 WeakPolarHBondContact OD2-CE 3.28Å; D28-K84 IonicContact OD2-NZ 3.25Å; D28-K84 PolarHBondContact OD2-NZ 3.31Å
29	V	89.5	Confident	88.4	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.03	28%	0.28	C	S	.	.			trans	-63.5	120.8	176.1	176.4	0	0	0	0	110.8	L20 C22 D27 P32 I40 I80	L20-V29 WeakPolarHBondContact O-CG2 3.35Å; L20-V29 PolarHBondContact O-N 2.91Å; C22-V29 HydrophobicContact CB-CG2 3.95Å; D27-V29 PolarHBondContact O-N 2.91Å; V29-P32 HydrophobicContact CG1-CB 3.73Å; V29-I40 HydrophobicContact CG1-CG2 4.14Å; V29-I40 HydrophobicContact CG2-CG2 4.45Å; V29-I80 HydrophobicContact CB-CD1 4.24Å; V29-I80 HydrophobicContact CG1-CD1 4.1Å
30	L	86.2	Confident	88.9	Confident	115 Å²	115	49.2 Å²	49.2	60%	0.602	27%	0.27	S	S	*	.	S	Bend	trans	-112.8	123.8	174.9	-63.2	178.2	0	0	0	110	D28 C42	D28-L30 PolarHBondContact O-N 3.47Å; L30-C42 PolarHBondContact N-SG 3.36Å; L30-C42 VanDerWaalsContact O-CA 3.22Å; L30-C42 WeakPolarHBondContact O-CA 3.23Å; L30-C42 VanDerWaalsContact O-CB 3.32Å; L30-C42 WeakPolarHBondContact O-CB 3.42Å
31	N	87.9	Confident	89.1	Confident	127 Å²	127	48.7 Å²	48.7	68%	0.679	27%	0.268	S	S	*	.	S	Bend	trans	53.5	72.2	-173.9	-60.4	-47.9	0	0	0	112.1	V33 K43	N31-V33 PolarHBondContact O-N 3.45Å; N31-K43 HydrophobicContact CB-CB 3.98Å; N31-K43 WeakPolarHBondContact O-CB 3.41Å; N31-K43 PolarHBondContact O-N 2.7Å
32	P	89.9	Confident	89.3	Confident	12 Å²	12	45.2 Å²	45.2	8%	0.078	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	126.7	-174.9	25.1	-36	0	0	0	112.7	V29 I40 Y41 V76 V77 I80	V29-P32 HydrophobicContact CG1-CB 3.73Å; P32-I40 HydrophobicContact CB-CG2 3.89Å; P32-Y41 WeakPolarHBondContact CA-O 3.47Å; P32-V76 HydrophobicContact CB-CG1 3.91Å; P32-V76 HydrophobicContact CG-CG1 4.22Å; P32-V77 HydrophobicContact CG-CB 4.43Å; P32-V77 HydrophobicContact CG-CG2 3.49Å; P32-V77 VanDerWaalsContact CG-CG2 3.49Å; P32-I80 HydrophobicContact CB-CD1 3.86Å; P32-I80 HydrophobicContact CG-CD1 4.01Å
33	V	90.4	Very high	89.3	Confident	12 Å²	12	50.4 Å²	50.4	7%	0.073	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.7	164.7	-71.3	0	0	0	0	109.6	N31 Y41 K43 M46 L70	N31-V33 PolarHBondContact O-N 3.45Å; V33-Y41 WeakPolarHBondContact CG2-O 3.41Å; V33-Y41 PolarHBondContact N-O 2.93Å; V33-Y41 PolarHBondContact O-N 2.87Å; V33-Y41 VanDerWaalsContact O-N 3.11Å; V33-K43 HydrophobicContact CG1-CB 3.92Å; V33-K43 HydrophobicContact CG1-CG 4.13Å; V33-M46 HydrophobicContact CG2-CB 4Å; V33-M46 HydrophobicContact CG2-CG 3.7Å; V33-L70 HydrophobicContact CB-CB 4.44Å; V33-L70 HydrophobicContact CB-CD1 4.2Å; V33-L70 HydrophobicContact CB-CD2 4.46Å; V33-L70 HydrophobicContact CG1-CD1 4.46Å; V33-L70 HydrophobicContact CG2-CD1 4.1Å
34	V	91.2	Very high	89.4	Confident	27 Å²	27	54.9 Å²	54.9	16%	0.164	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.1	178.4	-169	0	0	0	0	108.6	K71 V76	V34-K71 WeakPolarHBondContact CB-O 3.36Å; V34-K71 PolarHBondContact N-O 3.09Å; V34-K71 PolarHBondContact O-N 3.2Å; V34-V76 HydrophobicContact CG2-CB 4.38Å; V34-V76 HydrophobicContact CG2-CG1 4.48Å; V34-V76 HydrophobicContact CG2-CG2 3.88Å
35	T	89.5	Confident	89.6	Confident	6 Å²	6	52.3 Å²	52.3	4%	0.037	28%	0.279	C	S	.	.			trans	-83.3	159.5	173.8	53.4	0	0	0	0	111.7	C37 S38 H39 Y41 L65 L70	T35-C37 PolarHBondContact O-N 3.45Å; T35-C37 PolarHBondContact OG1-SG 3.43Å; T35-S38 PolarHBondContact O-N 3.36Å; T35-H39 PolarHBondContact N-O 3.22Å; T35-H39 PolarHBondContact OG1-N 3.03Å; T35-H39 PolarHBondContact OG1-O 3.27Å; T35-Y41 HydrophobicContact CG2-CD2 4Å; T35-Y41 HydrophobicContact CG2-CE2 3.75Å; T35-L65 HydrophobicContact CG2-CD1 3.73Å; T35-L65 HydrophobicContact CG2-CD2 3.89Å; T35-L70 HydrophobicContact CG2-CD2 3.7Å
36	P	85.8	Confident	89.5	Confident	89 Å²	89	50.1 Å²	50.1	58%	0.578	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-17.6	171.6	-24.4	35.2	0	0	0	114.3	L65	P36-L65 HydrophobicContact CG-CD2 4.47Å
37	C	89	Confident	89.5	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.034	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	23.1	174.2	54	0	0	0	0	113.6	T35 H39 C61 K63 H108	T35-C37 PolarHBondContact O-N 3.45Å; T35-C37 PolarHBondContact OG1-SG 3.43Å; C37-H39 PolarHBondContact O-CE1 3.32Å; C37-H39 PolarHBondContact O-N 3.45Å; C37-H39 PolarHBondContact O-ND1 3.36Å; C37-H39 VanDerWaalsContact O-ND1 3.07Å; C37-H39 PolarHBondContact SG-ND1 2.71Å; C37-H39 VanDerWaalsContact SG-ND1 3.45Å; C37-C61 PolarHBondContact SG-SG 3.19Å; C37-K63 HydrophobicContact CB-CB 4.32Å; C37-K63 HydrophobicContact CB-CD 3.52Å; C37-K63 HydrophobicContact CB-CG 4.49Å; C37-H108 PolarHBondContact O-CD2 2.98Å; C37-H108 PolarHBondContact O-NE2 3.26Å
38	S	88.1	Confident	89.4	Confident	24 Å²	24	46.4 Å²	46.4	17%	0.168	24%	0.241	C	C	.	.	S	Bend	trans	65.8	-6.3	175.9	79.1	0	0	0	0	118	T35 H108 L109	T35-S38 PolarHBondContact O-N 3.36Å; S38-H108 PolarHBondContact OG-CD2 2.71Å; S38-L109 PolarHBondContact OG-N 2.9Å; S38-L109 VanDerWaalsContact OG-N 3.09Å
39	H	89.5	Confident	89.4	Confident	5 Å²	5	44.6 Å²	44.6	2%	0.023	23%	0.23	C	C	.	.			trans	-71.1	142.7	176.1	-56.9	99.8	0	0	0	112.1	T35 C37 Y41 C58 L60 C61 L107 H108	T35-H39 PolarHBondContact N-O 3.22Å; T35-H39 PolarHBondContact OG1-N 3.03Å; T35-H39 PolarHBondContact OG1-O 3.27Å; C37-H39 PolarHBondContact O-CE1 3.32Å; C37-H39 PolarHBondContact O-N 3.45Å; C37-H39 PolarHBondContact O-ND1 3.36Å; C37-H39 VanDerWaalsContact O-ND1 3.07Å; C37-H39 PolarHBondContact SG-ND1 2.71Å; C37-H39 VanDerWaalsContact SG-ND1 3.45Å; H39-Y41 HydrophobicContact CB-CE2 3.71Å; H39-C58 PolarHBondContact ND1-SG 2.85Å; H39-L60 HydrophobicContact CB-CD1 4.16Å; H39-L60 WeakPolarHBondContact CD2-CD1 3.26Å; H39-C61 PolarHBondContact CE1-SG 2.92Å; H39-L107 PolarHBondContact CD2-O 3.19Å; H39-H108 AromaticContact CE1-CD2 3.8Å
40	I	90.8	Very high	89.2	Confident	41 Å²	41	46.1 Å²	46.1	21%	0.21	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.5	-174.2	-57.3	167.9	0	0	0	109.9	P23 V29 P32 V76 I80	P23-I40 WeakPolarHBondContact CD-O 3.2Å; V29-I40 HydrophobicContact CG1-CG2 4.14Å; V29-I40 HydrophobicContact CG2-CG2 4.45Å; P32-I40 HydrophobicContact CB-CG2 3.89Å; I40-V76 HydrophobicContact CD1-CG1 3.83Å; I40-V76 HydrophobicContact CG1-CG1 4.4Å; I40-V76 HydrophobicContact CG2-CG1 4.31Å; I40-I80 HydrophobicContact CG2-CD1 4.48Å
41	Y	92	Very high	89	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	161.9	178.2	-57.1	-86	0	0	0	111.3	P23 I24 P32 V33 T35 H39 M46 C58 P59 L60	P23-Y41 HydrophobicContact CB-CD1 4.42Å; P23-Y41 HydrophobicContact CB-CE1 3.96Å; P23-Y41 HydrophobicContact CG-CD1 4.16Å; P23-Y41 HydrophobicContact CG-CE1 3.86Å; I24-Y41 HydrophobicContact CD1-CD1 3.41Å; I24-Y41 VanDerWaalsContact CD1-CD1 3.41Å; I24-Y41 HydrophobicContact CD1-CE1 3.89Å; I24-Y41 HydrophobicContact CD1-CG 4.08Å; I24-Y41 HydrophobicContact CG1-CD1 3.73Å; I24-Y41 HydrophobicContact CG1-CE1 3.98Å; P32-Y41 WeakPolarHBondContact CA-O 3.47Å; V33-Y41 WeakPolarHBondContact CG2-O 3.41Å; V33-Y41 PolarHBondContact N-O 2.93Å; V33-Y41 PolarHBondContact O-N 2.87Å; V33-Y41 VanDerWaalsContact O-N 3.11Å; T35-Y41 HydrophobicContact CG2-CD2 4Å; T35-Y41 HydrophobicContact CG2-CE2 3.75Å; H39-Y41 HydrophobicContact CB-CE2 3.71Å; Y41-M46 HydrophobicContact CD1-SD 4.3Å; Y41-M46 HydrophobicContact CD2-CG 3.95Å; Y41-M46 HydrophobicContact CD2-SD 3.65Å; Y41-M46 HydrophobicContact CE2-SD 4.07Å; Y41-M46 HydrophobicContact CG-CG 3.88Å; Y41-M46 HydrophobicContact CG-SD 3.77Å; Y41-C58 PolarHBondContact OH-SG 3.12Å; Y41-P59 HydrophobicContact CE1-CB 4.31Å; Y41-P59 HydrophobicContact CE1-CG 4.26Å; Y41-P59 WeakPolarHBondContact OH-CD 3.34Å; Y41-L60 HydrophobicContact CE1-CG 4.42Å; Y41-L60 WeakPolarHBondContact OH-CB 3.22Å; Y41-L60 WeakPolarHBondContact OH-CG 3.4Å; Y41-L60 PolarHBondContact OH-N 3.39Å
42	C	92.6	Very high	88.3	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.034	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	136.8	163.3	-58	0	0	0	0	110.3	C22 L30 F44 C45 M46	C22-C42 WeakPolarHBondContact CB-SG 3.42Å; C22-C42 PolarHBondContact SG-N 2.85Å; C22-C42 VanDerWaalsContact SG-SG 3.65Å; L30-C42 PolarHBondContact N-SG 3.36Å; L30-C42 VanDerWaalsContact O-CA 3.22Å; L30-C42 WeakPolarHBondContact O-CA 3.23Å; L30-C42 VanDerWaalsContact O-CB 3.32Å; L30-C42 WeakPolarHBondContact O-CB 3.42Å; C42-F44 VanDerWaalsContact C-N 3.34Å; C42-F44 PolarHBondContact O-N 3.41Å; C42-C45 HydrophobicContact CB-CB 4.01Å; C42-C45 WeakPolarHBondContact O-CB 3.32Å; C42-C45 PolarHBondContact O-N 3.42Å; C42-M46 PolarHBondContact O-N 3.3Å; C42-M46 VanDerWaalsContact O-N 3.16Å
43	K	91.1	Very high	87.2	Confident	110 Å²	110	55.1 Å²	55.1	48%	0.478	27%	0.265	S	S	.	.	H	α-helix	trans	-49.9	-53.2	175.7	-178.9	-178.7	173.7	-171.7	0	111.8	N31 V33 C45 M46 D47	N31-K43 HydrophobicContact CB-CB 3.98Å; N31-K43 WeakPolarHBondContact O-CB 3.41Å; N31-K43 PolarHBondContact O-N 2.7Å; V33-K43 HydrophobicContact CG1-CB 3.92Å; V33-K43 HydrophobicContact CG1-CG 4.13Å; K43-C45 PolarHBondContact O-N 3.47Å; K43-M46 PolarHBondContact O-N 3.46Å; K43-D47 WeakPolarHBondContact CE-OD2 3.5Å; K43-D47 WeakPolarHBondContact CG-OD2 3.35Å; K43-D47 PolarHBondContact O-N 2.7Å
44	F	90.7	Very high	85.7	Confident	148 Å²	148	66.6 Å²	66.6	65%	0.649	31%	0.307	S	S	*	.	H	α-helix	trans	-56.4	-35.1	179.7	178.1	-107.5	0	0	0	113.3	C42 K48	C42-F44 VanDerWaalsContact C-N 3.34Å; C42-F44 PolarHBondContact O-N 3.41Å; F44-K48 HydrophobicContact CE1-CD 4.3Å; F44-K48 HydrophobicContact CZ-CD 4.28Å; F44-K48 WeakPolarHBondContact O-CB 3.44Å; F44-K48 PolarHBondContact O-N 2.87Å; F44-K48 VanDerWaalsContact O-N 3.08Å
45	C	92.7	Very high	84.3	Confident	12 Å²	12	71.9 Å²	71.9	8%	0.081	34%	0.335	C	S	.	.	H	α-helix	trans	-71.9	-35.6	177.9	-67.9	0	0	0	0	112.6	I24 C42 K43 H49	I24-C45 HydrophobicContact CB-CB 3.75Å; I24-C45 HydrophobicContact CD1-CB 3.77Å; I24-C45 HydrophobicContact CG1-CB 4.36Å; I24-C45 HydrophobicContact CG2-CB 3.72Å; C42-C45 HydrophobicContact CB-CB 4.01Å; C42-C45 WeakPolarHBondContact O-CB 3.32Å; C42-C45 PolarHBondContact O-N 3.42Å; K43-C45 PolarHBondContact O-N 3.47Å; C45-H49 WeakPolarHBondContact O-CB 3.32Å; C45-H49 PolarHBondContact O-N 3Å; C45-H49 VanDerWaalsContact O-N 3.16Å
46	M	89.7	Confident	83.3	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-75.1	-41.8	174.4	-76.6	-57.2	-51.7	0	0	112.5	I24 V33 Y41 C42 K43 K48 H49 F50 L65 L70	I24-M46 HydrophobicContact CD1-SD 3.93Å; V33-M46 HydrophobicContact CG2-CB 4Å; V33-M46 HydrophobicContact CG2-CG 3.7Å; Y41-M46 HydrophobicContact CD1-SD 4.3Å; Y41-M46 HydrophobicContact CD2-CG 3.95Å; Y41-M46 HydrophobicContact CD2-SD 3.65Å; Y41-M46 HydrophobicContact CE2-SD 4.07Å; Y41-M46 HydrophobicContact CG-CG 3.88Å; Y41-M46 HydrophobicContact CG-SD 3.77Å; C42-M46 PolarHBondContact O-N 3.3Å; C42-M46 VanDerWaalsContact O-N 3.16Å; K43-M46 PolarHBondContact O-N 3.46Å; M46-K48 VanDerWaalsContact C-N 3.32Å; M46-K48 PolarHBondContact O-N 2.98Å; M46-H49 WeakPolarHBondContact O-CA 3.37Å; M46-H49 WeakPolarHBondContact O-CB 3.48Å; M46-H49 PolarHBondContact O-N 2.87Å; M46-F50 HydrophobicContact CE-CD2 4.32Å; M46-F50 HydrophobicContact CE-CE2 3.74Å; M46-F50 HydrophobicContact CE-CZ 4.34Å; M46-F50 VanDerWaalsContact O-CD2 3.24Å; M46-F50 WeakPolarHBondContact O-CD2 3.46Å; M46-F50 PolarHBondContact O-N 2.99Å; M46-L65 HydrophobicContact CE-CD1 3.61Å; M46-L70 HydrophobicContact CB-CD1 3.91Å; M46-L70 HydrophobicContact CE-CD2 4.47Å; M46-L70 HydrophobicContact CG-CD1 4.36Å
47	D	87.8	Confident	83.4	Confident	53 Å²	53	69.9 Å²	69.9	28%	0.283	32%	0.319	S	S	.	.	H	α-helix	trans	-56.7	-49.7	175.9	-65.3	-18.2	0	0	0	109.7	K43 H49 F50 E51	K43-D47 WeakPolarHBondContact CE-OD2 3.5Å; K43-D47 WeakPolarHBondContact CG-OD2 3.35Å; K43-D47 PolarHBondContact O-N 2.7Å; D47-H49 PolarHBondContact O-N 3.32Å; D47-F50 PolarHBondContact O-N 3.15Å; D47-F50 VanDerWaalsContact O-N 3.11Å; D47-E51 WeakPolarHBondContact O-CG 3.31Å; D47-E51 PolarHBondContact O-N 3Å
48	K	87.2	Confident	83.4	Confident	102 Å²	102	69.7 Å²	69.7	44%	0.443	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-17.6	174	-167.3	170.7	-174.4	173.6	0	114.8	F44 M46 K52	F44-K48 HydrophobicContact CE1-CD 4.3Å; F44-K48 HydrophobicContact CZ-CD 4.28Å; F44-K48 WeakPolarHBondContact O-CB 3.44Å; F44-K48 PolarHBondContact O-N 2.87Å; F44-K48 VanDerWaalsContact O-N 3.08Å; M46-K48 VanDerWaalsContact C-N 3.32Å; M46-K48 PolarHBondContact O-N 2.98Å; K48-K52 WeakPolarHBondContact O-CG 3.44Å
49	H	87	Confident	83.3	Confident	38 Å²	38	71 Å²	71	18%	0.176	33%	0.326	C	S	.	.	H	α-helix	trans	-84	-39.2	172.3	-176.7	-92.1	0	0	0	111.6	C45 M46 D47 K52 K53 N57	C45-H49 WeakPolarHBondContact O-CB 3.32Å; C45-H49 PolarHBondContact O-N 3Å; C45-H49 VanDerWaalsContact O-N 3.16Å; M46-H49 WeakPolarHBondContact O-CA 3.37Å; M46-H49 WeakPolarHBondContact O-CB 3.48Å; M46-H49 PolarHBondContact O-N 2.87Å; D47-H49 PolarHBondContact O-N 3.32Å; H49-K52 PolarHBondContact O-N 3.02Å; H49-K53 PolarHBondContact O-N 2.82Å; H49-N57 PolarHBondContact CE1-O 3.26Å
50	F	84.8	Confident	83.1	Confident	37 Å²	37	73.3 Å²	73.3	16%	0.162	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-40.7	171.4	-78.9	-73.9	0	0	0	112	M46 D47 K52 K53 A56 L65 S67 L70	M46-F50 HydrophobicContact CE-CD2 4.32Å; M46-F50 HydrophobicContact CE-CE2 3.74Å; M46-F50 HydrophobicContact CE-CZ 4.34Å; M46-F50 VanDerWaalsContact O-CD2 3.24Å; M46-F50 WeakPolarHBondContact O-CD2 3.46Å; M46-F50 PolarHBondContact O-N 2.99Å; D47-F50 PolarHBondContact O-N 3.15Å; D47-F50 VanDerWaalsContact O-N 3.11Å; F50-K52 PolarHBondContact O-N 3.41Å; F50-K53 CarbonylContact O-C 3.48Å; F50-K53 PolarHBondContact O-N 2.89Å; F50-A56 HydrophobicContact CD1-CB 3.42Å; F50-A56 VanDerWaalsContact CD1-CB 3.42Å; F50-A56 HydrophobicContact CE1-CB 3.44Å; F50-A56 VanDerWaalsContact CE1-CB 3.44Å; F50-A56 HydrophobicContact CG-CB 4.15Å; F50-A56 HydrophobicContact CZ-CB 4.17Å; F50-L65 HydrophobicContact CE1-CB 4.42Å; F50-L65 HydrophobicContact CZ-CB 3.96Å; F50-S67 VanDerWaalsContact CE1-N 3.31Å; F50-S67 VanDerWaalsContact CZ-N 3.33Å; F50-L70 HydrophobicContact CE2-CD1 3.87Å; F50-L70 HydrophobicContact CE2-CG 4.28Å
51	E	81	Confident	82.9	Confident	158 Å²	158	73.4 Å²	73.4	74%	0.738	34%	0.342	S	S	*	.	H	α-helix	trans	-55.1	-38.5	173.8	-73.5	169.3	-179	0	0	112.6	D47	D47-E51 WeakPolarHBondContact O-CG 3.31Å; D47-E51 PolarHBondContact O-N 3Å
52	K	73.9	Confident	82.6	Confident	162 Å²	162	79.2 Å²	79.2	70%	0.704	37%	0.373	S	S	*	.	H	α-helix	trans	-83	-19.2	-178.5	-74	-175.2	174.3	-166.2	0	114.7	K48 H49 F50	K48-K52 WeakPolarHBondContact O-CG 3.44Å; H49-K52 PolarHBondContact O-N 3.02Å; F50-K52 PolarHBondContact O-N 3.41Å
53	K	66.7	Low	82.3	Confident	123 Å²	123	84.3 Å²	84.3	54%	0.535	39%	0.394	S	S	.	.			trans	-144.4	109.4	-177.6	-74.1	-173.5	175.6	179.1	0	111.4	H49 F50 N55 A56	H49-K53 PolarHBondContact O-N 2.82Å; F50-K53 CarbonylContact O-C 3.48Å; F50-K53 PolarHBondContact O-N 2.89Å; K53-N55 CarbonylContact O-C 3.59Å; K53-N55 PolarHBondContact O-N 2.96Å; K53-A56 PolarHBondContact O-N 3.02Å
54	R	59.3	Low	82	Confident	254 Å²	254	85.4 Å²	85.4	96%	0.958	41%	0.406	S	S	*	.	S	Bend	trans	-51.4	-38.7	173.8	-74.8	-177.4	172.5	173.2	-2.3	112.9
55	N	62.4	Low	81.6	Confident	137 Å²	137	79.2 Å²	79.2	73%	0.733	38%	0.379	S	S	*	.	S	Bend	trans	-104.6	96.3	168	-65.8	-1.2	0	0	0	108.1	K53	K53-N55 CarbonylContact O-C 3.59Å; K53-N55 PolarHBondContact O-N 2.96Å
56	A	68.5	Low	81	Confident	2 Å²	2	81.5 Å²	81.5	2%	0.017	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.9	-178.8	0	0	0	0	0	111	F50 K53 L65	F50-A56 HydrophobicContact CD1-CB 3.42Å; F50-A56 VanDerWaalsContact CD1-CB 3.42Å; F50-A56 HydrophobicContact CE1-CB 3.44Å; F50-A56 VanDerWaalsContact CE1-CB 3.44Å; F50-A56 HydrophobicContact CG-CB 4.15Å; F50-A56 HydrophobicContact CZ-CB 4.17Å; K53-A56 PolarHBondContact O-N 3.02Å; A56-L65 WeakPolarHBondContact O-CA 3.39Å; A56-L65 WeakPolarHBondContact O-CB 3.4Å; A56-L65 PolarHBondContact O-N 2.64Å; A56-L65 VanDerWaalsContact O-O 3.11Å
57	N	86.8	Confident	80.4	Confident	52 Å²	52	85.2 Å²	85.2	28%	0.278	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	157.3	170.5	-65.5	43.5	0	0	0	109.2	H49 P59 N62 N64	H49-N57 PolarHBondContact CE1-O 3.26Å; N57-P59 VanDerWaalsContact O-CD 3.3Å; N57-P59 WeakPolarHBondContact O-CD 3.25Å; N57-N62 WeakPolarHBondContact CB-O 3.18Å; N57-N62 PolarHBondContact ND2-O 2.94Å; N57-N64 PolarHBondContact ND2-OD1 3.39Å
58	C	89.2	Confident	80	Confident	0 Å²	0	94.3 Å²	94.3	0%	0	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-61.4	121.3	173.5	171	0	0	0	0	110.4	H39 Y41 L60 C61 N62 K63 L65	H39-C58 PolarHBondContact ND1-SG 2.85Å; Y41-C58 PolarHBondContact OH-SG 3.12Å; C58-L60 PolarHBondContact O-N 3.38Å; C58-C61 PolarHBondContact O-N 3.3Å; C58-C61 PolarHBondContact SG-SG 3.11Å; C58-N62 WeakPolarHBondContact O-CA 3.42Å; C58-N62 PolarHBondContact O-N 3.31Å; C58-K63 WeakPolarHBondContact CB-O 3.39Å; C58-K63 PolarHBondContact N-O 2.82Å; C58-L65 HydrophobicContact CB-CD1 3.95Å; C58-L65 HydrophobicContact CB-CD2 4.3Å; C58-L65 HydrophobicContact CB-CG 4.13Å
59	P	85.8	Confident	79.7	Confident	53 Å²	53	90.8 Å²	90.8	34%	0.344	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-19.7	-179	-29.6	36.5	0	0	0	115.8	I24 Y41 N57	I24-P59 HydrophobicContact CD1-CG 4.17Å; I24-P59 HydrophobicContact CG1-CG 4.4Å; Y41-P59 HydrophobicContact CE1-CB 4.31Å; Y41-P59 HydrophobicContact CE1-CG 4.26Å; Y41-P59 WeakPolarHBondContact OH-CD 3.34Å; N57-P59 VanDerWaalsContact O-CD 3.3Å; N57-P59 WeakPolarHBondContact O-CD 3.25Å
60	L	84.9	Confident	79.5	Confident	53 Å²	53	90.4 Å²	90.4	28%	0.277	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-37	-177.6	-79.9	-170	0	0	0	114.5	P23 H39 Y41 C58 S106	P23-L60 HydrophobicContact CB-CD1 4.16Å; P23-L60 HydrophobicContact CB-CD2 3.91Å; P23-L60 HydrophobicContact CB-CG 4.09Å; P23-L60 HydrophobicContact CG-CD1 3.64Å; P23-L60 HydrophobicContact CG-CD2 4.3Å; P23-L60 HydrophobicContact CG-CG 4.12Å; H39-L60 HydrophobicContact CB-CD1 4.16Å; H39-L60 WeakPolarHBondContact CD2-CD1 3.26Å; Y41-L60 HydrophobicContact CE1-CG 4.42Å; Y41-L60 WeakPolarHBondContact OH-CB 3.22Å; Y41-L60 WeakPolarHBondContact OH-CG 3.4Å; Y41-L60 PolarHBondContact OH-N 3.39Å; C58-L60 PolarHBondContact O-N 3.38Å; L60-S106 WeakPolarHBondContact CB-OG 3.41Å
61	C	87.9	Confident	79.4	Confident	43 Å²	43	96.2 Å²	96.2	29%	0.291	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	8.1	-173.9	69	0	0	0	0	115	C37 H39 C58 K63	C37-C61 PolarHBondContact SG-SG 3.19Å; H39-C61 PolarHBondContact CE1-SG 2.92Å; C58-C61 PolarHBondContact O-N 3.3Å; C58-C61 PolarHBondContact SG-SG 3.11Å; C61-K63 PolarHBondContact O-N 2.89Å
62	N	85.3	Confident	79.6	Confident	121 Å²	121	93.8 Å²	93.8	65%	0.647	47%	0.465	S	S	*	.			trans	55	4.4	179.5	-69.5	-42.4	0	0	0	117.3	N57 C58	N57-N62 WeakPolarHBondContact CB-O 3.18Å; N57-N62 PolarHBondContact ND2-O 2.94Å; C58-N62 WeakPolarHBondContact O-CA 3.42Å; C58-N62 PolarHBondContact O-N 3.31Å
63	K	85.5	Confident	79.9	Confident	112 Å²	112	87.7 Å²	87.7	49%	0.487	44%	0.443	S	S	.	.			trans	-59.5	137.3	169.8	-68.9	173.1	178.5	174.2	0	110.3	C37 C58 C61	C37-K63 HydrophobicContact CB-CB 4.32Å; C37-K63 HydrophobicContact CB-CD 3.52Å; C37-K63 HydrophobicContact CB-CG 4.49Å; C58-K63 WeakPolarHBondContact CB-O 3.39Å; C58-K63 PolarHBondContact N-O 2.82Å; C61-K63 PolarHBondContact O-N 2.89Å
64	N	84.5	Confident	80.5	Confident	133 Å²	133	86.4 Å²	86.4	71%	0.711	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	139.9	-178.4	-69	-15.4	0	0	0	111.9	N57	N57-N64 PolarHBondContact ND2-OD1 3.39Å
65	L	82.3	Confident	81.6	Confident	18 Å²	18	82 Å²	82	9%	0.094	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147	175.3	-55	176.4	0	0	0	110.7	T35 P36 M46 F50 A56 C58	T35-L65 HydrophobicContact CG2-CD1 3.73Å; T35-L65 HydrophobicContact CG2-CD2 3.89Å; P36-L65 HydrophobicContact CG-CD2 4.47Å; M46-L65 HydrophobicContact CE-CD1 3.61Å; F50-L65 HydrophobicContact CE1-CB 4.42Å; F50-L65 HydrophobicContact CZ-CB 3.96Å; A56-L65 WeakPolarHBondContact O-CA 3.39Å; A56-L65 WeakPolarHBondContact O-CB 3.4Å; A56-L65 PolarHBondContact O-N 2.64Å; A56-L65 VanDerWaalsContact O-O 3.11Å; C58-L65 HydrophobicContact CB-CD1 3.95Å; C58-L65 HydrophobicContact CB-CD2 4.3Å; C58-L65 HydrophobicContact CB-CG 4.13Å
66	S	80.1	Confident	82.7	Confident	61 Å²	61	76.5 Å²	76.5	43%	0.427	41%	0.408	S	S	.	.			trans	-114.1	153.6	159.7	74.3	0	0	0	0	109.7	R68 S69	S66-R68 PolarHBondContact O-N 3.15Å; S66-S69 PolarHBondContact N-OG 3.19Å; S66-S69 VanDerWaalsContact N-OG 3.07Å; S66-S69 WeakPolarHBondContact O-CB 3.37Å; S66-S69 PolarHBondContact O-N 3.39Å; S66-S69 PolarHBondContact O-OG 2.71Å; S66-S69 WeakPolarHBondContact OG-CB 3.4Å; S66-S69 PolarHBondContact OG-N 3.14Å
67	S	77.2	Confident	83.6	Confident	77 Å²	77	79.1 Å²	79.1	54%	0.538	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-56.7	-36.4	176.4	171.8	0	0	0	0	111.4	F50 S69 L70	F50-S67 VanDerWaalsContact CE1-N 3.31Å; F50-S67 VanDerWaalsContact CZ-N 3.33Å; S67-S69 PolarHBondContact O-N 2.82Å; S67-L70 PolarHBondContact O-N 3.08Å
68	R	80.7	Confident	83.6	Confident	244 Å²	244	79.9 Å²	79.9	92%	0.921	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-66.8	-14.1	174.2	-56.8	-176.2	-172.6	-179.6	2.3	114.7	S66	S66-R68 PolarHBondContact O-N 3.15Å
69	S	79.1	Confident	83.6	Confident	29 Å²	29	83.9 Å²	83.9	20%	0.203	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-92.8	-10.1	-178.2	74.6	0	0	0	0	114.1	S66 S67	S66-S69 PolarHBondContact N-OG 3.19Å; S66-S69 VanDerWaalsContact N-OG 3.07Å; S66-S69 WeakPolarHBondContact O-CB 3.37Å; S66-S69 PolarHBondContact O-N 3.39Å; S66-S69 PolarHBondContact O-OG 2.71Å; S66-S69 WeakPolarHBondContact OG-CB 3.4Å; S66-S69 PolarHBondContact OG-N 3.14Å; S67-S69 PolarHBondContact O-N 2.82Å
70	L	83.4	Confident	83.6	Confident	30 Å²	30	82 Å²	82	16%	0.157	44%	0.441	C	S	.	.			trans	-72.2	136.6	172.2	-67.7	-175.5	0	0	0	110.8	V33 T35 M46 F50 S67	V33-L70 HydrophobicContact CB-CB 4.44Å; V33-L70 HydrophobicContact CB-CD1 4.2Å; V33-L70 HydrophobicContact CB-CD2 4.46Å; V33-L70 HydrophobicContact CG1-CD1 4.46Å; V33-L70 HydrophobicContact CG2-CD1 4.1Å; T35-L70 HydrophobicContact CG2-CD2 3.7Å; M46-L70 HydrophobicContact CB-CD1 3.91Å; M46-L70 HydrophobicContact CE-CD2 4.47Å; M46-L70 HydrophobicContact CG-CD1 4.36Å; F50-L70 HydrophobicContact CE2-CD1 3.87Å; F50-L70 HydrophobicContact CE2-CG 4.28Å; S67-L70 PolarHBondContact O-N 3.08Å
71	K	84.2	Confident	83.7	Confident	158 Å²	158	84.2 Å²	84.2	69%	0.687	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.7	173.8	-64.8	-176.3	-179.9	-179.3	0	110.2	V34	V34-K71 WeakPolarHBondContact CB-O 3.36Å; V34-K71 PolarHBondContact N-O 3.09Å; V34-K71 PolarHBondContact O-N 3.2Å
72	S	83.4	Confident	83.8	Confident	107 Å²	107	86 Å²	86	75%	0.748	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	134.2	159.8	43.5	0	0	0	0	108.6
73	S	80.2	Confident	84	Confident	35 Å²	35	81.5 Å²	81.5	25%	0.245	44%	0.438	C	S	.	.			trans	-126.4	116.5	-178.4	175.5	0	0	0	0	110.3	K75 V76 V77	S73-K75 PolarHBondContact O-N 2.95Å; S73-K75 PolarHBondContact OG-N 3.27Å; S73-V76 PolarHBondContact O-N 3.14Å; S73-V76 VanDerWaalsContact O-N 3.09Å; S73-V76 PolarHBondContact OG-N 3.11Å; S73-V77 PolarHBondContact O-N 2.57Å
74	S	80.1	Confident	84.1	Confident	95 Å²	95	78.7 Å²	78.7	66%	0.664	43%	0.425	S	S	*	.	H	α-helix	trans	-60	-31.9	174.5	53	0	0	0	0	112.1	T78	S74-T78 WeakPolarHBondContact O-CB 3.43Å; S74-T78 PolarHBondContact O-N 3.42Å; S74-T78 PolarHBondContact O-OG1 2.72Å
75	K	82.2	Confident	84.3	Confident	161 Å²	161	77.6 Å²	77.6	70%	0.7	41%	0.414	S	S	*	.	H	α-helix	trans	-62.2	-46.2	172.2	-63.6	-166.4	175.9	-164.6	0	111.2	S73 T78 V79	S73-K75 PolarHBondContact O-N 2.95Å; S73-K75 PolarHBondContact OG-N 3.27Å; K75-T78 WeakPolarHBondContact O-CB 3.32Å; K75-T78 PolarHBondContact O-N 2.76Å; K75-V79 WeakPolarHBondContact O-CG2 3.43Å; K75-V79 PolarHBondContact O-N 2.68Å
76	V	85.9	Confident	84.7	Confident	23 Å²	23	81 Å²	81	14%	0.139	43%	0.432	C	S	.	.	H	α-helix	trans	-66.5	-40.2	179.2	173.8	0	0	0	0	112	P32 V34 I40 S73 T78 V79 I80	P32-V76 HydrophobicContact CB-CG1 3.91Å; P32-V76 HydrophobicContact CG-CG1 4.22Å; V34-V76 HydrophobicContact CG2-CB 4.38Å; V34-V76 HydrophobicContact CG2-CG1 4.48Å; V34-V76 HydrophobicContact CG2-CG2 3.88Å; I40-V76 HydrophobicContact CD1-CG1 3.83Å; I40-V76 HydrophobicContact CG1-CG1 4.4Å; I40-V76 HydrophobicContact CG2-CG1 4.31Å; S73-V76 PolarHBondContact O-N 3.14Å; S73-V76 VanDerWaalsContact O-N 3.09Å; S73-V76 PolarHBondContact OG-N 3.11Å; V76-T78 VanDerWaalsContact C-N 3.32Å; V76-T78 PolarHBondContact O-N 3.05Å; V76-V79 PolarHBondContact O-N 2.8Å; V76-I80 HydrophobicContact CG1-CD1 3.78Å; V76-I80 HydrophobicContact CG1-CG1 4.42Å; V76-I80 WeakPolarHBondContact O-CB 3.47Å; V76-I80 VanDerWaalsContact O-CG1 3.31Å; V76-I80 WeakPolarHBondContact O-CG1 3.26Å; V76-I80 PolarHBondContact O-N 2.84Å
77	V	86.4	Confident	85	Confident	57 Å²	57	78.7 Å²	78.7	35%	0.345	41%	0.414	S	S	.	.	H	α-helix	trans	-56.9	-48.2	170.8	178.3	0	0	0	0	110.5	P32 S73 V79 I80 D81	P32-V77 HydrophobicContact CG-CB 4.43Å; P32-V77 HydrophobicContact CG-CG2 3.49Å; P32-V77 VanDerWaalsContact CG-CG2 3.49Å; S73-V77 PolarHBondContact O-N 2.57Å; V77-V79 PolarHBondContact O-N 3.38Å; V77-I80 PolarHBondContact O-N 2.81Å; V77-D81 PolarHBondContact O-N 3.13Å
78	T	87.9	Confident	85.4	Confident	68 Å²	68	78 Å²	78	42%	0.417	41%	0.41	S	S	.	.	H	α-helix	trans	-61.8	-41.4	-179.1	-54	0	0	0	0	112.2	S74 K75 V76 L82	S74-T78 WeakPolarHBondContact O-CB 3.43Å; S74-T78 PolarHBondContact O-N 3.42Å; S74-T78 PolarHBondContact O-OG1 2.72Å; K75-T78 WeakPolarHBondContact O-CB 3.32Å; K75-T78 PolarHBondContact O-N 2.76Å; V76-T78 VanDerWaalsContact C-N 3.32Å; V76-T78 PolarHBondContact O-N 3.05Å; T78-L82 HydrophobicContact CG2-CD1 4.09Å; T78-L82 WeakPolarHBondContact O-CB 3.45Å; T78-L82 VanDerWaalsContact O-CG 3.24Å; T78-L82 WeakPolarHBondContact O-CG 3.29Å; T78-L82 PolarHBondContact O-N 2.97Å
79	V	88.1	Confident	85.6	Confident	83 Å²	83	68.9 Å²	68.9	50%	0.503	38%	0.381	S	S	.	.	H	α-helix	trans	-64.8	-47	176	170.8	0	0	0	0	110.9	K75 V76 V77 D81 L82 C83	K75-V79 WeakPolarHBondContact O-CG2 3.43Å; K75-V79 PolarHBondContact O-N 2.68Å; V76-V79 PolarHBondContact O-N 2.8Å; V77-V79 PolarHBondContact O-N 3.38Å; V79-D81 VanDerWaalsContact C-N 3.35Å; V79-D81 PolarHBondContact O-N 3.41Å; V79-L82 PolarHBondContact O-N 2.78Å; V79-C83 WeakPolarHBondContact O-CB 3.33Å; V79-C83 PolarHBondContact O-N 2.81Å; V79-C83 PolarHBondContact O-SG 2.81Å
80	I	86.8	Confident	86	Confident	13 Å²	13	69 Å²	69	7%	0.067	38%	0.378	C	S	.	.	H	α-helix	trans	-58.4	-46.4	177.6	-72.5	170.7	0	0	0	110.8	L20 V29 P32 I40 V76 V77 L82 C83 K84	L20-I80 HydrophobicContact CD2-CB 4.16Å; L20-I80 HydrophobicContact CD2-CG1 3.93Å; L20-I80 HydrophobicContact CD2-CG2 4.12Å; V29-I80 HydrophobicContact CB-CD1 4.24Å; V29-I80 HydrophobicContact CG1-CD1 4.1Å; P32-I80 HydrophobicContact CB-CD1 3.86Å; P32-I80 HydrophobicContact CG-CD1 4.01Å; I40-I80 HydrophobicContact CG2-CD1 4.48Å; V76-I80 HydrophobicContact CG1-CD1 3.78Å; V76-I80 HydrophobicContact CG1-CG1 4.42Å; V76-I80 WeakPolarHBondContact O-CB 3.47Å; V76-I80 VanDerWaalsContact O-CG1 3.31Å; V76-I80 WeakPolarHBondContact O-CG1 3.26Å; V76-I80 PolarHBondContact O-N 2.84Å; V77-I80 PolarHBondContact O-N 2.81Å; I80-L82 VanDerWaalsContact C-N 3.35Å; I80-L82 PolarHBondContact O-N 2.94Å; I80-C83 PolarHBondContact O-N 2.94Å; I80-K84 HydrophobicContact CG2-CD 4.22Å; I80-K84 WeakPolarHBondContact O-CB 3.41Å; I80-K84 VanDerWaalsContact O-CG 3.31Å; I80-K84 WeakPolarHBondContact O-CG 3.42Å; I80-K84 PolarHBondContact O-N 2.95Å
81	D	87.4	Confident	86	Confident	101 Å²	101	70.1 Å²	70.1	54%	0.54	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-36.5	177.9	-73.7	-19.8	0	0	0	112.8	V77 V79 K85	V77-D81 PolarHBondContact O-N 3.13Å; V79-D81 VanDerWaalsContact C-N 3.35Å; V79-D81 PolarHBondContact O-N 3.41Å; D81-K85 WeakPolarHBondContact O-CB 3.42Å; D81-K85 PolarHBondContact O-N 2.76Å
82	L	89.2	Confident	85.9	Confident	80 Å²	80	66.4 Å²	66.4	42%	0.419	38%	0.376	S	S	.	.	H	α-helix	trans	-68.6	-47.8	175.5	-75.2	169.1	0	0	0	111.8	T78 V79 I80 K85 I86	T78-L82 HydrophobicContact CG2-CD1 4.09Å; T78-L82 WeakPolarHBondContact O-CB 3.45Å; T78-L82 VanDerWaalsContact O-CG 3.24Å; T78-L82 WeakPolarHBondContact O-CG 3.29Å; T78-L82 PolarHBondContact O-N 2.97Å; V79-L82 PolarHBondContact O-N 2.78Å; I80-L82 VanDerWaalsContact C-N 3.35Å; I80-L82 PolarHBondContact O-N 2.94Å; L82-K85 WeakPolarHBondContact O-CB 3.34Å; L82-K85 PolarHBondContact O-N 3.13Å; L82-K85 VanDerWaalsContact O-N 3.12Å; L82-I86 WeakPolarHBondContact O-CG1 3.44Å; L82-I86 PolarHBondContact O-N 3.29Å
83	C	89.6	Confident	85.8	Confident	27 Å²	27	68.4 Å²	68.4	18%	0.182	37%	0.373	C	S	.	.	H	α-helix	trans	-63.4	-42.7	178.6	-66.7	0	0	0	0	111.8	I16 L20 V79 I80 K85 I86 I87	I16-C83 HydrophobicContact CG2-CB 3.72Å; L20-C83 HydrophobicContact CD1-CB 3.82Å; L20-C83 HydrophobicContact CD2-CB 3.82Å; L20-C83 HydrophobicContact CG-CB 4.28Å; V79-C83 WeakPolarHBondContact O-CB 3.33Å; V79-C83 PolarHBondContact O-N 2.81Å; V79-C83 PolarHBondContact O-SG 2.81Å; I80-C83 PolarHBondContact O-N 2.94Å; C83-K85 VanDerWaalsContact C-N 3.29Å; C83-K85 PolarHBondContact O-N 2.71Å; C83-I86 PolarHBondContact O-N 2.88Å; C83-I87 WeakPolarHBondContact O-CG1 3.13Å; C83-I87 PolarHBondContact O-N 3.41Å
84	K	87.6	Confident	85.6	Confident	52 Å²	52	68.6 Å²	68.6	23%	0.226	38%	0.377	C	S	.	.	H	α-helix	trans	-58.7	-40.9	171.2	-73.2	-175.1	-171.5	-166.4	0	111.7	L20 D28 I80 S88	L20-K84 HydrophobicContact CD1-CG 3.89Å; D28-K84 WeakPolarHBondContact OD2-CE 3.28Å; D28-K84 IonicContact OD2-NZ 3.25Å; D28-K84 PolarHBondContact OD2-NZ 3.31Å; I80-K84 HydrophobicContact CG2-CD 4.22Å; I80-K84 WeakPolarHBondContact O-CB 3.41Å; I80-K84 VanDerWaalsContact O-CG 3.31Å; I80-K84 WeakPolarHBondContact O-CG 3.42Å; I80-K84 PolarHBondContact O-N 2.95Å; K84-S88 WeakPolarHBondContact O-CB 3.3Å; K84-S88 PolarHBondContact O-N 3.47Å; K84-S88 PolarHBondContact O-OG 2.95Å
85	K	88.9	Confident	85.5	Confident	110 Å²	110	73 Å²	73	48%	0.478	38%	0.384	S	S	.	.	H	α-helix	trans	-62.5	-47.3	176.1	-165.9	-174.6	178.5	-164.4	0	111.5	D81 L82 C83 I87 S88 T89	D81-K85 WeakPolarHBondContact O-CB 3.42Å; D81-K85 PolarHBondContact O-N 2.76Å; L82-K85 WeakPolarHBondContact O-CB 3.34Å; L82-K85 PolarHBondContact O-N 3.13Å; L82-K85 VanDerWaalsContact O-N 3.12Å; C83-K85 VanDerWaalsContact C-N 3.29Å; C83-K85 PolarHBondContact O-N 2.71Å; K85-I87 PolarHBondContact O-N 3.48Å; K85-S88 WeakPolarHBondContact CA-OG 3.5Å; K85-S88 PolarHBondContact O-N 2.98Å; K85-S88 VanDerWaalsContact O-N 3.14Å; K85-S88 PolarHBondContact O-OG 2.87Å; K85-T89 PolarHBondContact O-N 3.31Å; K85-T89 PolarHBondContact O-OG1 2.96Å; K85-T89 VanDerWaalsContact O-OG1 3.09Å
86	I	89.8	Confident	84.9	Confident	90 Å²	90	68.4 Å²	68.4	46%	0.462	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-45.1	-179.9	-66.6	162.8	0	0	0	111.1	L13 L82 C83 T89 Y90	L13-I86 HydrophobicContact CD2-CG2 3.65Å; L82-I86 WeakPolarHBondContact O-CG1 3.44Å; L82-I86 PolarHBondContact O-N 3.29Å; C83-I86 PolarHBondContact O-N 2.88Å; I86-T89 WeakPolarHBondContact CA-OG1 3.45Å; I86-T89 PolarHBondContact O-N 3.46Å; I86-T89 PolarHBondContact O-OG1 3.3Å; I86-Y90 PolarHBondContact O-N 2.74Å
87	I	86.6	Confident	84.3	Confident	12 Å²	12	75.8 Å²	75.8	6%	0.062	40%	0.4	C	S	.	.	H	α-helix	trans	-59.8	-47.4	173.6	-70.9	162.8	0	0	0	110.5	I16 K17 L20 C83 K85 T89 Y90 E91 L98	I16-I87 HydrophobicContact CG2-CD1 4.04Å; K17-I87 HydrophobicContact CB-CD1 3.75Å; K17-I87 HydrophobicContact CD-CG2 4.28Å; K17-I87 HydrophobicContact CG-CD1 4.07Å; L20-I87 HydrophobicContact CD1-CD1 3.55Å; C83-I87 WeakPolarHBondContact O-CG1 3.13Å; C83-I87 PolarHBondContact O-N 3.41Å; K85-I87 PolarHBondContact O-N 3.48Å; I87-T89 VanDerWaalsContact C-N 3.32Å; I87-T89 PolarHBondContact O-N 3.07Å; I87-Y90 PolarHBondContact O-N 2.72Å; I87-E91 HydrophobicContact CG2-CG 4.29Å; I87-E91 WeakPolarHBondContact O-CG 3.48Å; I87-E91 PolarHBondContact O-N 2.94Å; I87-L98 HydrophobicContact CG2-CD1 4.13Å
88	S	85.5	Confident	83.5	Confident	63 Å²	63	73.6 Å²	73.6	44%	0.441	39%	0.386	S	S	.	.	H	α-helix	trans	-64.4	-33.4	-179.1	72.6	0	0	0	0	113.6	K84 K85 S92	K84-S88 WeakPolarHBondContact O-CB 3.3Å; K84-S88 PolarHBondContact O-N 3.47Å; K84-S88 PolarHBondContact O-OG 2.95Å; K85-S88 WeakPolarHBondContact CA-OG 3.5Å; K85-S88 PolarHBondContact O-N 2.98Å; K85-S88 VanDerWaalsContact O-N 3.14Å; K85-S88 PolarHBondContact O-OG 2.87Å; S88-S92 WeakPolarHBondContact O-CB 3.35Å; S88-S92 PolarHBondContact O-N 3.18Å; S88-S92 VanDerWaalsContact O-N 3.16Å; S88-S92 PolarHBondContact O-OG 3.12Å
89	T	86.6	Confident	82.3	Confident	52 Å²	52	76.2 Å²	76.2	32%	0.319	40%	0.402	S	S	.	.	H	α-helix	trans	-67.9	-46.9	172.9	38.8	0	0	0	0	110.8	K85 I86 I87 E91 S92 E93	K85-T89 PolarHBondContact O-N 3.31Å; K85-T89 PolarHBondContact O-OG1 2.96Å; K85-T89 VanDerWaalsContact O-OG1 3.09Å; I86-T89 WeakPolarHBondContact CA-OG1 3.45Å; I86-T89 PolarHBondContact O-N 3.46Å; I86-T89 PolarHBondContact O-OG1 3.3Å; I87-T89 VanDerWaalsContact C-N 3.32Å; I87-T89 PolarHBondContact O-N 3.07Å; T89-E91 PolarHBondContact O-N 2.58Å; T89-S92 PolarHBondContact O-N 2.79Å; T89-S92 VanDerWaalsContact O-N 3.14Å; T89-S92 PolarHBondContact O-OG 2.8Å; T89-E93 WeakPolarHBondContact O-CB 3.16Å; T89-E93 WeakPolarHBondContact O-CG 2.87Å; T89-E93 PolarHBondContact O-N 2.76Å
90	Y	85.6	Confident	80.8	Confident	33 Å²	33	73 Å²	73	13%	0.129	38%	0.383	C	S	.	.	H	α-helix	trans	-60.1	-48.3	177.5	-174	-90.7	0	0	0	112.3	I9 E10 L13 I86 I87 S92 E93 A94 L98	I9-Y90 HydrophobicContact CG2-CD2 4.18Å; I9-Y90 HydrophobicContact CG2-CE2 3.89Å; E10-Y90 VanDerWaalsContact CD-OH 3.25Å; E10-Y90 HydrophobicContact CG-CE1 3.94Å; E10-Y90 WeakPolarHBondContact CG-OH 3.26Å; E10-Y90 PolarHBondContact OE1-OH 3.37Å; L13-Y90 HydrophobicContact CD1-CD1 3.89Å; L13-Y90 HydrophobicContact CD1-CD2 3.47Å; L13-Y90 VanDerWaalsContact CD1-CD2 3.47Å; L13-Y90 HydrophobicContact CD1-CE2 4.15Å; L13-Y90 HydrophobicContact CD1-CG 3.33Å; I86-Y90 PolarHBondContact O-N 2.74Å; I87-Y90 PolarHBondContact O-N 2.72Å; Y90-S92 PolarHBondContact O-N 2.93Å; Y90-E93 PolarHBondContact O-N 3.11Å; Y90-E93 VanDerWaalsContact O-N 3.14Å; Y90-A94 HydrophobicContact CD1-CB 4.12Å; Y90-A94 HydrophobicContact CE1-CB 3.65Å; Y90-A94 HydrophobicContact CE2-CB 4.24Å; Y90-A94 WeakPolarHBondContact O-CB 3.46Å; Y90-A94 PolarHBondContact O-N 3.02Å; Y90-L98 HydrophobicContact CD1-CD1 3.67Å; Y90-L98 HydrophobicContact CD1-CD2 4.03Å; Y90-L98 HydrophobicContact CD1-CG 3.82Å; Y90-L98 HydrophobicContact CE1-CD1 4.4Å; Y90-L98 HydrophobicContact CE1-CD2 3.9Å; Y90-L98 HydrophobicContact CE1-CG 4.12Å; Y90-L98 HydrophobicContact CG-CD1 4.37Å
91	E	84.8	Confident	79.3	Confident	53 Å²	53	81.5 Å²	81.5	25%	0.248	41%	0.414	C	S	.	.	H	α-helix	trans	-62.2	-28.2	178.3	-67	-172.5	153.1	0	0	112.5	K17 I87 T89 K95 T96 L98	K17-E91 IonicContact NZ-OE1 3.79Å; K17-E91 PolarHBondContact NZ-OE1 3.43Å; I87-E91 HydrophobicContact CG2-CG 4.29Å; I87-E91 WeakPolarHBondContact O-CG 3.48Å; I87-E91 PolarHBondContact O-N 2.94Å; T89-E91 PolarHBondContact O-N 2.58Å; E91-K95 WeakPolarHBondContact O-CA 3.38Å; E91-K95 PolarHBondContact O-N 3Å; E91-T96 WeakPolarHBondContact CA-O 3.45Å; E91-L98 HydrophobicContact CG-CB 4.43Å; E91-L98 HydrophobicContact CG-CD1 4.13Å; E91-L98 HydrophobicContact CG-CG 4.25Å; E91-L98 PolarHBondContact OE1-N 3.16Å
92	S	81.7	Confident	77.3	Confident	80 Å²	80	82.1 Å²	82.1	56%	0.559	42%	0.418	S	S	*	.	H	α-helix	trans	-79.1	-32.5	174.8	77	0	0	0	0	114.1	S88 T89 Y90	S88-S92 WeakPolarHBondContact O-CB 3.35Å; S88-S92 PolarHBondContact O-N 3.18Å; S88-S92 VanDerWaalsContact O-N 3.16Å; S88-S92 PolarHBondContact O-OG 3.12Å; T89-S92 PolarHBondContact O-N 2.79Å; T89-S92 VanDerWaalsContact O-N 3.14Å; T89-S92 PolarHBondContact O-OG 2.8Å; Y90-S92 PolarHBondContact O-N 2.93Å
93	E	81	Confident	75.3	Confident	149 Å²	149	83.3 Å²	83.3	70%	0.696	42%	0.424	S	S	*	.	H	α-helix	trans	-86	-47.2	-176.6	-73	170.7	-166.8	0	0	111.6	T89 Y90 K95	T89-E93 WeakPolarHBondContact O-CB 3.16Å; T89-E93 WeakPolarHBondContact O-CG 2.87Å; T89-E93 PolarHBondContact O-N 2.76Å; Y90-E93 PolarHBondContact O-N 3.11Å; Y90-E93 VanDerWaalsContact O-N 3.14Å; E93-K95 VanDerWaalsContact C-N 3.32Å
94	A	77	Confident	72.7	Confident	39 Å²	39	89.5 Å²	89.5	32%	0.322	46%	0.461	S	S	.	.	H	α-helix	trans	-74.4	-21.8	177.8	0	0	0	0	0	113	Y90 T96	Y90-A94 HydrophobicContact CD1-CB 4.12Å; Y90-A94 HydrophobicContact CE1-CB 3.65Å; Y90-A94 HydrophobicContact CE2-CB 4.24Å; Y90-A94 WeakPolarHBondContact O-CB 3.46Å; Y90-A94 PolarHBondContact O-N 3.02Å; A94-T96 WeakPolarHBondContact CB-OG1 3.35Å; A94-T96 PolarHBondContact O-N 3.39Å
95	K	77.6	Confident	70.4	Confident	187 Å²	187	89.5 Å²	89.5	81%	0.813	48%	0.475	S	S	*	.			trans	60.7	4.4	-172	-53.8	175.2	-177	173.2	0	114.6	E91 E93	E91-K95 WeakPolarHBondContact O-CA 3.38Å; E91-K95 PolarHBondContact O-N 3Å; E93-K95 VanDerWaalsContact C-N 3.32Å
96	T	69.9	Low	68	Low	64 Å²	64	87 Å²	87	39%	0.393	47%	0.472	S	S	.	.	S	Bend	trans	-92.2	140.3	170.3	51.7	0	0	0	0	109.3	E91 A94	E91-T96 WeakPolarHBondContact CA-O 3.45Å; A94-T96 WeakPolarHBondContact CB-OG1 3.35Å; A94-T96 PolarHBondContact O-N 3.39Å
97	K	71.5	Confident	65.7	Low	179 Å²	179	86.2 Å²	86.2	78%	0.778	47%	0.468	S	S	*	.			trans	-81.4	128.4	167.3	-73.3	-174.7	176.7	-178.7	0	108.3	V99	K97-V99 PolarHBondContact O-N 3.34Å; K97-V99 VanDerWaalsContact O-N 3.14Å
98	L	70.1	Confident	63.4	Low	10 Å²	10	87.4 Å²	87.4	5%	0.052	47%	0.473	C	S	.	.			trans	-68.1	112.8	173.9	-76	160.8	0	0	0	108.6	E10 L13 K17 I87 Y90 E91 S100	E10-L98 HydrophobicContact CB-CD2 4.23Å; E10-L98 HydrophobicContact CG-CD2 4.23Å; L13-L98 HydrophobicContact CB-CD1 3.61Å; L13-L98 HydrophobicContact CB-CD2 4.08Å; L13-L98 HydrophobicContact CD1-CD1 4.15Å; L13-L98 HydrophobicContact CG-CD1 4.49Å; K17-L98 HydrophobicContact CD-CB 4.05Å; K17-L98 PolarHBondContact NZ-O 3.06Å; I87-L98 HydrophobicContact CG2-CD1 4.13Å; Y90-L98 HydrophobicContact CD1-CD1 3.67Å; Y90-L98 HydrophobicContact CD1-CD2 4.03Å; Y90-L98 HydrophobicContact CD1-CG 3.82Å; Y90-L98 HydrophobicContact CE1-CD1 4.4Å; Y90-L98 HydrophobicContact CE1-CD2 3.9Å; Y90-L98 HydrophobicContact CE1-CG 4.12Å; Y90-L98 HydrophobicContact CG-CD1 4.37Å; E91-L98 HydrophobicContact CG-CB 4.43Å; E91-L98 HydrophobicContact CG-CD1 4.13Å; E91-L98 HydrophobicContact CG-CG 4.25Å; E91-L98 PolarHBondContact OE1-N 3.16Å; L98-S100 PolarHBondContact O-N 3.11Å
99	V	62.6	Low	61.4	Low	124 Å²	124	89.9 Å²	89.9	75%	0.752	48%	0.481	S	S	*	.			trans	-79.2	114.9	175.6	-178.6	0	0	0	0	108.2	K97 R101	K97-V99 PolarHBondContact O-N 3.34Å; K97-V99 VanDerWaalsContact O-N 3.14Å; V99-R101 PolarHBondContact O-N 3.03Å
100	S	57.5	Low	59	Low	16 Å²	16	91 Å²	91	11%	0.112	49%	0.491	C	S	.	.			trans	-60.8	118.7	169.3	-60.5	0	0	0	0	109.1	R21 L98 D102	R21-S100 VanDerWaalsContact NH1-CB 3.31Å; L98-S100 PolarHBondContact O-N 3.11Å; S100-D102 PolarHBondContact O-N 3.26Å
101	R	55.7	Low	57	Low	191 Å²	191	95.3 Å²	95.3	72%	0.721	51%	0.512	S	S	*	.			trans	-76.9	116.7	165.8	-80.6	-179.1	163.1	163.9	-5.2	108	V99 L103	V99-R101 PolarHBondContact O-N 3.03Å; R101-L103 HydrophobicContact CB-CD1 3.93Å; R101-L103 PolarHBondContact O-N 2.79Å
102	D	45.7	Very low	54.7	Low	114 Å²	114	96.9 Å²	96.9	61%	0.61	52%	0.52	S	S	*	.			trans	-75.1	67.2	-178.1	-66.6	-36.8	0	0	0	112	R21 S100 V104	R21-D102 IonicContact CZ-OD1 3.7Å; R21-D102 IonicContact NH1-OD1 2.99Å; R21-D102 PolarHBondContact NH1-OD1 3.34Å; R21-D102 IonicContact NH2-OD1 3.83Å; S100-D102 PolarHBondContact O-N 3.26Å; D102-V104 PolarHBondContact O-N 3.38Å
103	L	46.4	Very low	52.7	Low	104 Å²	104	100.7 Å²	100.7	55%	0.545	53%	0.533	S	S	.	.			trans	-72.7	119.7	163.9	-82.8	84.3	0	0	0	108.8	Q18 R101 G105 L124	Q18-L103 PolarHBondContact NE2-O 2.92Å; Q18-L103 VanDerWaalsContact NE2-O 3.17Å; R101-L103 HydrophobicContact CB-CD1 3.93Å; R101-L103 PolarHBondContact O-N 2.79Å; L103-G105 PolarHBondContact O-N 3.12Å; L103-L124 HydrophobicContact CD2-CD2 4.3Å
104	V	35.8	Very low	50.6	Low	158 Å²	158	98.9 Å²	98.9	96%	0.958	53%	0.532	S	S	*	.			trans	-82	72.1	175.7	-174.5	0	0	0	0	108.8	D102	D102-V104 PolarHBondContact O-N 3.38Å
105	G	38.5	Very low	48.6	Very low	52 Å²	52	104.7 Å²	104.7	54%	0.536	55%	0.553	S	S	.	*			trans	-124.2	119.1	179.8	0	0	0	0	0	111.5	L103 L107	L103-G105 PolarHBondContact O-N 3.12Å; G105-L107 PolarHBondContact O-N 3.32Å
106	S	37.5	Very low	46.4	Very low	58 Å²	58	101.9 Å²	101.9	41%	0.406	55%	0.551	S	S	.	*			trans	-77.6	117	179	171	0	0	0	0	111.2	L60	L60-S106 WeakPolarHBondContact CB-OG 3.41Å
107	L	43.2	Very low	44.5	Very low	72 Å²	72	106.1 Å²	106.1	38%	0.377	57%	0.571	S	S	.	*			trans	-108.8	120.3	-173.2	-75.5	160.2	0	0	0	114.3	F19 H39 G105 E112	F19-L107 HydrophobicContact CD1-CB 4.34Å; F19-L107 HydrophobicContact CD1-CD1 4.25Å; F19-L107 HydrophobicContact CE1-CB 3.85Å; F19-L107 HydrophobicContact CE1-CD1 3.33Å; F19-L107 HydrophobicContact CE1-CG 4.08Å; F19-L107 HydrophobicContact CZ-CD1 3.6Å; H39-L107 PolarHBondContact CD2-O 3.19Å; G105-L107 PolarHBondContact O-N 3.32Å; L107-E112 WeakPolarHBondContact CD1-OE1 3.17Å; L107-E112 HydrophobicContact CD2-CG 3.84Å; L107-E112 WeakPolarHBondContact CD2-OE1 3.11Å
108	H	38.4	Very low	42.6	Very low	37 Å²	37	101.5 Å²	101.5	17%	0.171	57%	0.566	C	S	.	*			trans	-96.3	128.2	178	-176.5	-93.3	0	0	0	107.8	C37 S38 H39 S110 Q111	C37-H108 PolarHBondContact O-CD2 2.98Å; C37-H108 PolarHBondContact O-NE2 3.26Å; S38-H108 PolarHBondContact OG-CD2 2.71Å; H39-H108 AromaticContact CE1-CD2 3.8Å; H108-S110 PolarHBondContact CE1-OG 2.7Å; H108-S110 PolarHBondContact ND1-OG 3.43Å; H108-S110 PolarHBondContact O-N 3.05Å; H108-Q111 HydrophobicContact CB-CG 4.37Å; H108-Q111 PolarHBondContact O-N 3.1Å; H108-Q111 VanDerWaalsContact O-N 3.08Å
109	L	41.7	Very low	40.6	Very low	116 Å²	116	107.9 Å²	107.9	61%	0.607	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-4.7	-166.5	-156.2	72.6	0	0	0	114.6	S38	S38-L109 PolarHBondContact OG-N 2.9Å; S38-L109 VanDerWaalsContact OG-N 3.09Å
110	S	37.3	Very low	39	Very low	76 Å²	76	108.6 Å²	108.6	53%	0.531	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.8	-2.1	-179.6	-36	0	0	0	0	115.1	H108	H108-S110 PolarHBondContact CE1-OG 2.7Å; H108-S110 PolarHBondContact ND1-OG 3.43Å; H108-S110 PolarHBondContact O-N 3.05Å
111	Q	42.5	Very low	37.6	Very low	122 Å²	122	112.4 Å²	112.4	57%	0.57	64%	0.637	S	S	*	*	S	Bend	trans	-108.2	-16.2	-167.7	-69	-170.8	-89.5	0	0	116.3	H108	H108-Q111 HydrophobicContact CB-CG 4.37Å; H108-Q111 PolarHBondContact O-N 3.1Å; H108-Q111 VanDerWaalsContact O-N 3.08Å
112	E	38.2	Very low	36.1	Very low	86 Å²	86	105.6 Å²	105.6	40%	0.402	62%	0.618	S	S	.	*	S	Bend	trans	-102.3	-24.5	-179.4	-74.7	176.7	136.7	0	0	114.5	F19 L107 T114 Q115	F19-E112 WeakPolarHBondContact CE1-OE2 3.34Å; F19-E112 WeakPolarHBondContact CZ-OE1 3.25Å; F19-E112 WeakPolarHBondContact CZ-OE2 3.26Å; L107-E112 WeakPolarHBondContact CD1-OE1 3.17Å; L107-E112 HydrophobicContact CD2-CG 3.84Å; L107-E112 WeakPolarHBondContact CD2-OE1 3.11Å; E112-T114 PolarHBondContact O-N 3.04Å; E112-Q115 PolarHBondContact O-N 3.33Å
113	L	38.6	Very low	35.3	Very low	161 Å²	161	104.9 Å²	104.9	84%	0.843	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	9.3	176.3	-69.9	171.5	0	0	0	113.5
114	T	36.7	Very low	34.4	Very low	111 Å²	111	105.7 Å²	105.7	68%	0.681	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	18.2	-179.4	59.9	0	0	0	0	112.5	E112	E112-T114 PolarHBondContact O-N 3.04Å
115	Q	34.6	Very low	33.9	Very low	161 Å²	161	104.2 Å²	104.2	75%	0.752	62%	0.616	S	S	*	*			trans	-138.6	65.2	179.4	-66	-169.4	-6.6	0	0	111.2	E112	E112-Q115 PolarHBondContact O-N 3.33Å
116	V	33	Very low	33.3	Very low	127 Å²	127	108.5 Å²	108.5	77%	0.77	63%	0.632	S	S	*	*			trans	-136.7	62.6	172.2	-166.5	0	0	0	0	109.8
117	D	28.7	Very low	32.9	Very low	154 Å²	154	111.3 Å²	111.3	82%	0.824	65%	0.651	S	S	*	*			trans	-132.7	147.7	169.6	-85.4	-54.1	0	0	0	109.4
118	A	31.2	Very low	32.1	Very low	81 Å²	81	119 Å²	119	67%	0.669	68%	0.675	S	S	*	*	S	Bend	trans	45.2	100.9	166.5	0	0	0	0	0	119.3	T120	A118-T120 PolarHBondContact O-N 2.93Å
119	T	29.1	Very low	31.6	Very low	144 Å²	144	124.9 Å²	124.9	88%	0.883	71%	0.708	S	S	*	*			trans	9.3	91.7	136.7	53.2	0	0	0	0	118.5
120	T	28.8	Very low	31	Very low	139 Å²	139	124.8 Å²	124.8	85%	0.853	72%	0.717	S	S	*	*			trans	-149.5	154.7	154.4	-41.8	0	0	0	0	110.7	A118	A118-T120 PolarHBondContact O-N 2.93Å
121	S	27.7	Very low	30.5	Very low	96 Å²	96	124 Å²	124	67%	0.671	72%	0.722	S	S	*	*			trans	-92.9	179.8	-178	52.7	0	0	0	0	113.9
122	C	25.6	Very low	29.9	Very low	48 Å²	48	125.4 Å²	125.4	32%	0.324	73%	0.733	S	S	.	*			trans	84.9	84.6	154.9	-55.5	0	0	0	0	120	S892 C894	C122-S892 VanDerWaalsContact CB-O 3.23Å; C122-S892 WeakPolarHBondContact CB-O 3.47Å; C122-C894 HydrophobicContact CB-CB 4.25Å; C122-C894 PolarHBondContact SG-N 3.32Å
123	V	28.8	Very low	29.3	Very low	99 Å²	99	129.1 Å²	129.1	60%	0.6	75%	0.748	S	S	*	*				43.7	113	107	-178.1	0	0	0	0	119.3	C894	V123-C894 HydrophobicContact CB-CB 3.87Å; V123-C894 HydrophobicContact CG1-CB 4.05Å; V123-C894 HydrophobicContact CG2-CB 4.49Å
124	L	26.7	Very low	29	Very low	122 Å²	122	128.7 Å²	128.7	64%	0.639	74%	0.741	S	S	*	*			trans	33.6	134.5	137.5	-58.1	173.8	0	0	0	122.4	L103	L103-L124 HydrophobicContact CD2-CD2 4.3Å
125	P	24.3	Very low	28.6	Very low	126 Å²	126	130.2 Å²	130.2	82%	0.818	74%	0.744	S	S	*	*			trans	-83.4	138.6	168.7	34.6	-33.5	0	0	0	113.2
126	T	27.6	Very low	28.6	Very low	143 Å²	143	130.1 Å²	130.1	88%	0.877	75%	0.749	S	S	*	*			trans	-132.1	159.4	171.3	48.4	0	0	0	0	113.8
127	S	28.8	Very low	28.5	Very low	116 Å²	116	126.8 Å²	126.8	81%	0.811	74%	0.74	S	S	*	*			trans	-75.4	151.6	-159.3	-174.3	0	0	0	0	115.6
128	R	26.8	Very low	28.7	Very low	234 Å²	234	128 Å²	128	88%	0.883	74%	0.738	S	S	*	*			trans	-60.1	142.9	160.2	-64.4	175.6	176.7	172.4	-3.1	112.2
129	N	27.8	Very low	28.6	Very low	160 Å²	160	130.8 Å²	130.8	86%	0.856	74%	0.741	S	S	*	*			trans	-142.7	156.2	145	-90.1	-20.5	0	0	0	104.9
130	S	27.9	Very low	28.6	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	74%	0.742	S	S	*	*			cis	-169.2	148.1	-12.7	43.9	0	0	0	0	107.5
131	G	27.7	Very low	28.5	Very low	61 Å²	61	135.8 Å²	135.8	63%	0.629	74%	0.74	S	S	*	*			trans	144.6	120.3	171.9	0	0	0	0	0	114.7
132	D	28.8	Very low	28.8	Very low	150 Å²	150	136.5 Å²	136.5	80%	0.802	74%	0.742	S	S	*	*				64.5	138.2	128.3	-51.2	-21.9	0	0	0	121.4
133	F	26.6	Very low	29	Very low	165 Å²	165	145.7 Å²	145.7	72%	0.724	77%	0.77	S	S	*	*			cis	-157.6	166.2	-12.3	-141.4	-135.7	0	0	0	110.1
134	Q	31.8	Very low	29.2	Very low	151 Å²	151	146.3 Å²	146.3	71%	0.706	78%	0.776	S	S	*	*			trans	48.2	117	163.5	-70.7	167.7	2.1	0	0	119.7
135	I	29.4	Very low	29.3	Very low	143 Å²	143	151.5 Å²	151.5	73%	0.733	79%	0.787	S	S	*	*				78.4	98.9	54.3	-60.2	162.2	0	0	0	113.8
136	N	33.3	Very low	29.4	Very low	160 Å²	160	151.5 Å²	151.5	86%	0.856	78%	0.78	S	S	*	*				-178.1	157.4	112.2	-108.3	-42.5	0	0	0	115.1
137	G	31.1	Very low	29.4	Very low	56 Å²	56	153.7 Å²	153.7	58%	0.577	77%	0.772	S	S	*	*			trans	91.1	84.6	140.5	0	0	0	0	0	120.1
138	K	32.3	Very low	29.4	Very low	180 Å²	180	152.4 Å²	152.4	78%	0.783	76%	0.756	S	S	*	*			trans	57.2	110.8	143.3	-60.2	-177.9	178.2	-179.7	0	119.6
139	D	29.7	Very low	29.7	Very low	140 Å²	140	146.1 Å²	146.1	75%	0.749	74%	0.739	S	S	*	*	S	Bend		48.3	122.7	122.9	-36.4	-38.7	0	0	0	118.8
140	I	29.1	Very low	29.6	Very low	173 Å²	173	143.9 Å²	143.9	89%	0.887	73%	0.726	S	S	*	*			cis	-113.4	127.3	9.6	-61.8	164.8	0	0	0	109.1
141	R	26.1	Very low	29.4	Very low	215 Å²	215	140.5 Å²	140.5	81%	0.811	71%	0.709	S	S	*	*			trans	-139.3	154.7	-179.7	-78	-168.1	-142.2	-114.8	2.9	113.6
142	P	33.8	Very low	29.4	Very low	111 Å²	111	143.2 Å²	143.2	72%	0.721	71%	0.714	S	S	*	*			trans	-86.5	-179.5	-175.7	36.7	-38.6	0	0	0	113.6
143	R	30.2	Very low	29.4	Very low	240 Å²	240	141.5 Å²	141.5	91%	0.906	71%	0.709	S	S	*	*			trans	77.1	174.1	-176.5	-45.8	170.9	169.3	-166.1	-1.9	112
144	P	33.4	Very low	29.5	Very low	113 Å²	113	138.5 Å²	138.5	73%	0.734	72%	0.715	S	S	*	*			cis	-130.7	-175.6	-3.2	32.3	-10.1	0	0	0	115.6
145	R	28.9	Very low	29.2	Very low	231 Å²	231	141.6 Å²	141.6	87%	0.872	72%	0.72	S	S	*	*			trans	10	123.6	152.7	-68.2	174	168.2	158.8	-5.8	118.8
146	N	27.2	Very low	29.2	Very low	125 Å²	125	141.5 Å²	141.5	67%	0.668	73%	0.726	S	S	*	*				-154.9	114	119.5	-83.9	-34.5	0	0	0	105.5
147	R	26.7	Very low	29.1	Very low	190 Å²	190	141.4 Å²	141.4	72%	0.717	72%	0.721	S	S	*	*				56	113.2	66.3	-158.8	177.7	-164.5	175.3	2.9	110	E910 C911	R147-E910 CarbonylContact C-O 3.53Å; R147-E910 VanDerWaalsContact C-O 3.23Å; R147-E910 CarbonylContact O-C 3.13Å; R147-C911 CarbonylContact O-C 3.23Å; R147-C911 PolarHBondContact O-N 3.1Å
148	I	29.6	Very low	28.9	Very low	89 Å²	89	149.9 Å²	149.9	46%	0.456	74%	0.735	S	S	.	*			trans	-149.6	142.5	-174	-65.7	167.2	0	0	0	106.8	E910 C911 V912	I148-E910 WeakPolarHBondContact CG2-OE2 3.4Å; I148-C911 WeakPolarHBondContact CG1-O 3.5Å; I148-V912 HydrophobicContact CD1-CG2 3.53Å; I148-V912 HydrophobicContact CG1-CG2 3.84Å; I148-V912 HydrophobicContact CG2-CG2 4.37Å
149	L	31.8	Very low	28.7	Very low	102 Å²	102	147.5 Å²	147.5	53%	0.534	74%	0.736	S	S	.	*			trans	161.7	124.6	-179	-99.3	151.1	0	0	0	106.9	T909 E910	L149-T909 HydrophobicContact CB-CG2 4.01Å; L149-T909 VanDerWaalsContact O-CA 3.25Å; L149-T909 WeakPolarHBondContact O-CA 3.27Å; L149-T909 WeakPolarHBondContact O-CB 3.47Å; L149-T909 WeakPolarHBondContact O-CG2 3.47Å; L149-E910 VanDerWaalsContact C-CD 3.43Å; L149-E910 VanDerWaalsContact CA-OE2 3.26Å; L149-E910 WeakPolarHBondContact CA-OE2 3.47Å; L149-E910 PolarHBondContact N-OE2 2.89Å; L149-E910 WeakPolarHBondContact O-CA 3.5Å; L149-E910 WeakPolarHBondContact O-CB 3.38Å; L149-E910 PolarHBondContact O-N 3.5Å
150	L	26.2	Very low	28.7	Very low	113 Å²	113	150.4 Å²	150.4	59%	0.592	74%	0.742	S	S	*	*			trans	-175	155.1	163.3	-135	-175.7	0	0	0	109.7	T909 E910	L150-T909 HydrophobicContact CB-CG2 4.22Å; L150-T909 HydrophobicContact CD2-CG2 4.46Å; L150-T909 HydrophobicContact CG-CG2 4.11Å; L150-E910 HydrophobicContact CB-CB 4.11Å; L150-E910 VanDerWaalsContact CB-CD 3.4Å; L150-E910 HydrophobicContact CB-CG 4.22Å; L150-E910 WeakPolarHBondContact CB-OE1 3.4Å; L150-E910 HydrophobicContact CD1-CB 4.2Å; L150-E910 HydrophobicContact CG-CB 4.3Å; L150-E910 PolarHBondContact N-OE2 3.27Å; L150-E910 VanDerWaalsContact N-OE2 3.13Å
151	G	24.8	Very low	28.6	Very low	43 Å²	43	150.3 Å²	150.3	44%	0.443	74%	0.738	S	S	.	*			cis	-110.6	-139.3	-45.1	0	0	0	0	0	107.9
152	T	27.9	Very low	28.8	Very low	117 Å²	117	148.6 Å²	148.6	72%	0.718	74%	0.741	S	S	*	*			cis	-148.6	161.1	-2.2	46.8	0	0	0	0	108.8	A154	T152-A154 PolarHBondContact O-N 3.45Å
153	T	27.2	Very low	28.5	Very low	115 Å²	115	150.2 Å²	150.2	71%	0.706	74%	0.743	S	S	*	*			trans	-73.1	115.9	174.1	48.9	0	0	0	0	112	R155	T153-R155 PolarHBondContact O-N 3.47Å
154	A	28.6	Very low	28.5	Very low	102 Å²	102	146.8 Å²	146.8	84%	0.843	74%	0.735	S	S	*	*			trans	-92.7	63.9	171.7	0	0	0	0	0	112.1	T152	T152-A154 PolarHBondContact O-N 3.45Å
155	R	26.2	Very low	28.5	Very low	215 Å²	215	147.6 Å²	147.6	81%	0.811	73%	0.729	S	S	*	*			trans	-103.7	82.2	176.4	-170.9	-175.7	-170.7	176.3	4	110.8	T153 Q157	T153-R155 PolarHBondContact O-N 3.47Å; R155-Q157 PolarHBondContact O-N 3.31Å
156	T	29.7	Very low	28.6	Very low	141 Å²	141	143 Å²	143	87%	0.865	72%	0.721	S	S	*	*			trans	-91.2	100.7	177.4	33.2	0	0	0	0	112.2
157	Q	31.4	Very low	28.7	Very low	158 Å²	158	142 Å²	142	74%	0.738	72%	0.724	S	S	*	*			trans	-75.9	132	162.9	-68.4	175.7	-25.1	0	0	110.5	R155	R155-Q157 PolarHBondContact O-N 3.31Å
158	R	27.1	Very low	29	Very low	235 Å²	235	137 Å²	137	89%	0.887	72%	0.723	S	S	*	*			trans	-177.4	105.1	145.1	-102	157.1	-177.6	177.9	1.1	108.2
159	T	27.6	Very low	29.2	Very low	130 Å²	130	138.7 Å²	138.7	80%	0.798	74%	0.74	S	S	*	*				38.3	93	77.5	58	0	0	0	0	115.1
160	K	29.4	Very low	29.6	Very low	200 Å²	200	138.5 Å²	138.5	87%	0.87	74%	0.744	S	S	*	*			trans	-161.8	153.4	130.4	-110.7	171.9	-176.8	-174.6	0	111.8
161	Q	27.4	Very low	29.8	Very low	171 Å²	171	140.9 Å²	140.9	80%	0.799	75%	0.75	S	S	*	*			trans	-78.6	146.5	-173.9	-52.7	116	-54.6	0	0	112.6
162	M	29.7	Very low	30.1	Very low	179 Å²	179	145.3 Å²	145.3	88%	0.882	76%	0.759	S	S	*	*				172.6	105.6	113.4	-90.3	-176.4	-178.6	0	0	107
163	N	27.6	Very low	30	Very low	145 Å²	145	147.6 Å²	147.6	78%	0.775	76%	0.762	S	S	*	*				79.6	137.4	69.7	-168.6	21.4	0	0	0	112.6
164	K	31.1	Very low	30	Very low	169 Å²	169	147.3 Å²	147.3	74%	0.735	76%	0.76	S	S	*	*			trans	81.5	129.3	-174.5	-66.1	-155.6	169.5	-166	0	118
165	Q	32.5	Very low	29.9	Very low	129 Å²	129	149.4 Å²	149.4	60%	0.603	76%	0.756	S	S	*	*			cis	-169.1	161.2	-22.9	-129.2	173.8	-24.4	0	0	109.6
166	I	32	Very low	30	Very low	136 Å²	136	145.1 Å²	145.1	70%	0.697	75%	0.754	S	S	*	*			trans	62.3	124.4	150.6	-69.1	160.7	0	0	0	115.1
167	S	28.9	Very low	29.8	Very low	104 Å²	104	147.5 Å²	147.5	73%	0.727	76%	0.755	S	S	*	*			cis	171	168.6	6.9	53.3	0	0	0	0	106.4
168	A	32.5	Very low	30	Very low	85 Å²	85	145.2 Å²	145.2	70%	0.702	75%	0.754	S	S	*	*			cis	-169.1	161.6	-14.6	0	0	0	0	0	107.3
169	P	33.5	Very low	29.9	Very low	124 Å²	124	141.2 Å²	141.2	81%	0.805	75%	0.747	S	S	*	*				-124.2	-101.5	-126.8	24.6	0.6	0	0	0	119.6
170	P	39.6	Very low	29.8	Very low	98 Å²	98	145.1 Å²	145.1	64%	0.636	75%	0.747	S	S	*	*				-131.8	-115.1	-126.9	43.4	-22.2	0	0	0	115.1
171	F	32.2	Very low	29.5	Very low	163 Å²	163	140 Å²	140	72%	0.715	74%	0.737	S	S	*	*			trans	82.1	140.1	-176.4	-65.7	-89.1	0	0	0	116.8
172	E	29.9	Very low	29.3	Very low	136 Å²	136	139.2 Å²	139.2	64%	0.636	74%	0.737	S	S	*	*			cis	-163	152.3	-33.4	-114.2	174.4	-159.7	0	0	105
173	E	27.2	Very low	29.1	Very low	165 Å²	165	136.3 Å²	136.3	77%	0.771	74%	0.735	S	S	*	*				54.9	129.9	75.6	-130.7	175.3	157.6	0	0	112.2
174	V	27	Very low	29.2	Very low	109 Å²	109	133.5 Å²	133.5	66%	0.661	73%	0.731	S	S	*	*				-169.7	157.9	66.3	158.1	0	0	0	0	111.1
175	L	25.3	Very low	29	Very low	145 Å²	145	130.4 Å²	130.4	76%	0.759	73%	0.731	S	S	*	*			trans	-12.1	159.2	153.5	-41.3	169.2	0	0	0	118.7
176	T	28.1	Very low	28.7	Very low	125 Å²	125	130 Å²	130	77%	0.767	74%	0.738	S	S	*	*			cis	-165.6	142.7	43.5	33.5	0	0	0	0	115.2
177	Q	25.9	Very low	28.5	Very low	192 Å²	192	130.9 Å²	130.9	90%	0.897	74%	0.739	S	S	*	*				39.8	167	129.9	-74.1	-161.1	-1.5	0	0	125.8
178	P	36.4	Very low	28.4	Very low	110 Å²	110	131.2 Å²	131.2	71%	0.714	74%	0.737	S	S	*	*			trans	-122.4	-168.4	-149.3	45.8	-35.9	0	0	0	118.5
179	M	23.4	Very low	28.2	Very low	151 Å²	151	134.8 Å²	134.8	74%	0.744	74%	0.736	S	S	*	*			trans	96.3	149.4	161.2	-73.4	-178	67	0	0	121.3
180	R	25.5	Very low	27.9	Very low	211 Å²	211	135.7 Å²	135.7	80%	0.796	73%	0.729	S	S	*	*			trans	75.6	95.7	154	-81.5	175.8	-178	167.9	1.9	122.2
181	S	23.5	Very low	27.3	Very low	94 Å²	94	138.6 Å²	138.6	66%	0.657	74%	0.739	S	S	*	*				66.4	149.1	108.7	69.6	0	0	0	0	124.3
182	L	24.4	Very low	27.2	Very low	153 Å²	153	134.8 Å²	134.8	80%	0.801	75%	0.746	S	S	*	*			trans	86.2	119.6	149.9	-76.1	158.5	0	0	0	121.5
183	S	25.5	Very low	27.1	Very low	119 Å²	119	136.3 Å²	136.3	83%	0.832	76%	0.757	S	S	*	*			trans	62.6	157.2	147.5	60.2	0	0	0	0	118.9
184	A	29	Very low	27.4	Very low	85 Å²	85	133.2 Å²	133.2	70%	0.702	75%	0.752	S	S	*	*			cis	-138.7	168.5	6.9	0	0	0	0	0	113.1
185	S	26.7	Very low	27.5	Very low	105 Å²	105	136 Å²	136	73%	0.734	76%	0.755	S	S	*	*			trans	2.5	151.3	131.1	-32.1	0	0	0	0	118.2
186	T	27.2	Very low	27.6	Very low	121 Å²	121	136.8 Å²	136.8	74%	0.742	76%	0.755	S	S	*	*			cis	-149.3	179.5	29	56.7	0	0	0	0	111
187	E	26.4	Very low	27.5	Very low	153 Å²	153	135.4 Å²	135.4	72%	0.715	75%	0.75	S	S	*	*			cis	-170.2	-174.4	-32.9	-97.1	178.9	67.1	0	0	108.5
188	V	26.6	Very low	27.6	Very low	112 Å²	112	131.1 Å²	131.1	68%	0.679	74%	0.737	S	S	*	*			trans	47.2	128.2	137.8	160.6	0	0	0	0	119.5
189	K	28.1	Very low	27.2	Very low	160 Å²	160	133.5 Å²	133.5	70%	0.696	74%	0.738	S	S	*	*			cis	-158.5	144.2	0.8	-106	-179.2	179.9	-173.2	0	107.8
190	E	28.2	Very low	27.6	Very low	142 Å²	142	132.8 Å²	132.8	66%	0.664	74%	0.737	S	S	*	*				82.9	152.8	64.9	-161.1	-172.5	-144.2	0	0	113.9
191	L	27.3	Very low	27.7	Very low	159 Å²	159	126.8 Å²	126.8	83%	0.832	73%	0.728	S	S	*	*			trans	82.3	131.1	171.9	-48.2	173.7	0	0	0	116.9
192	G	29.1	Very low	27.8	Very low	84 Å²	84	129.2 Å²	129.2	87%	0.866	73%	0.734	S	S	*	*			trans	156.9	6.7	175.5	0	0	0	0	0	120.1
193	L	28	Very low	28	Very low	167 Å²	167	125.3 Å²	125.3	87%	0.874	72%	0.724	S	S	*	*			trans	-66.8	170.7	170.2	-75.7	164	0	0	0	112.3
194	P	34.2	Very low	28	Very low	100 Å²	100	128.3 Å²	128.3	65%	0.649	72%	0.722	S	S	*	*			cis	-137.6	-165.8	-36.2	36.5	-17.6	0	0	0	112.1
195	K	28.8	Very low	27.9	Very low	168 Å²	168	130.4 Å²	130.4	73%	0.73	72%	0.72	S	S	*	*			trans	150.5	123.6	134.1	-80.8	-167.3	176.5	-175.3	0	111.6
196	Q	28	Very low	27.9	Very low	162 Å²	162	131.2 Å²	131.2	76%	0.757	72%	0.717	S	S	*	*				62.9	139.4	84.2	-66.5	180	-54.8	0	0	112.9
197	S	26.1	Very low	27.8	Very low	95 Å²	95	131.6 Å²	131.6	66%	0.664	71%	0.713	S	S	*	*			cis	-164	165.5	-8.4	37.7	0	0	0	0	107.2
198	V	28.1	Very low	27.7	Very low	103 Å²	103	132.8 Å²	132.8	62%	0.624	72%	0.716	S	S	*	*				165.5	113	90.9	162	0	0	0	0	102.3
199	E	27	Very low	27.7	Very low	160 Å²	160	132.1 Å²	132.1	75%	0.748	72%	0.716	S	S	*	*				74.6	162.5	83.8	-65	168.3	144	0	0	115.2
200	N	32	Very low	27.7	Very low	135 Å²	135	131 Å²	131	72%	0.722	72%	0.717	S	S	*	*			trans	73.5	99.2	175.8	-52	-16.4	0	0	0	115.4
201	S	27.5	Very low	27.5	Very low	86 Å²	86	129 Å²	129	60%	0.601	71%	0.714	S	S	*	*			cis	78.7	150.7	34.6	90.6	0	0	0	0	115.2
202	D	26.3	Very low	27.6	Very low	145 Å²	145	128.7 Å²	128.7	78%	0.775	71%	0.709	S	S	*	*			trans	69	144.1	157.2	-56.9	-35.4	0	0	0	118.3
203	A	27.8	Very low	27.6	Very low	71 Å²	71	131.8 Å²	131.8	59%	0.587	70%	0.701	S	S	*	*			cis	-171.3	162	-10.3	0	0	0	0	0	111.3
204	F	25.3	Very low	27.5	Very low	182 Å²	182	129 Å²	129	80%	0.798	69%	0.691	S	S	*	*			trans	73.7	134.9	133.6	-85.5	-142.8	0	0	0	122.3
205	L	27.4	Very low	27.5	Very low	128 Å²	128	131.6 Å²	131.6	67%	0.67	69%	0.694	S	S	*	*			trans	71.6	105.3	139.3	-60.2	175.5	0	0	0	120.4
206	D	26.6	Very low	27.7	Very low	122 Å²	122	128.1 Å²	128.1	65%	0.652	69%	0.689	S	S	*	*				104.4	138.2	101.6	-81.3	11	0	0	0	124.8
207	I	25.3	Very low	27.7	Very low	130 Å²	130	127.9 Å²	127.9	67%	0.667	69%	0.69	S	S	*	*			trans	74.9	92.1	135.2	-67.3	168.9	0	0	0	118.6
208	F	24.3	Very low	27.8	Very low	178 Å²	178	129.5 Å²	129.5	78%	0.781	69%	0.69	S	S	*	*				69.3	146.1	122.8	-91	-93.5	0	0	0	122.3
209	S	26.8	Very low	27.9	Very low	97 Å²	97	131.4 Å²	131.4	68%	0.678	70%	0.696	S	S	*	*			trans	72.8	147.3	148.1	-66.1	0	0	0	0	119.6
210	L	26.7	Very low	27.9	Very low	136 Å²	136	127.6 Å²	127.6	71%	0.712	69%	0.687	S	S	*	*			cis	176.8	153.9	-39	-110.5	162.1	0	0	0	106.2
211	T	25.6	Very low	27.8	Very low	100 Å²	100	129.6 Å²	129.6	61%	0.613	69%	0.69	S	S	*	*			trans	64.5	118.9	157.4	53.5	0	0	0	0	119.1
212	Q	28	Very low	27.9	Very low	153 Å²	153	131.6 Å²	131.6	72%	0.715	69%	0.694	S	S	*	*				83.7	149.1	99.7	-67.2	-171.3	108.2	0	0	114.2
213	Q	29.9	Very low	28.1	Very low	149 Å²	149	130.1 Å²	130.1	70%	0.696	70%	0.695	S	S	*	*			cis	-158.5	168.5	-4.4	-123.6	180	2.1	0	0	112.1
214	T	26	Very low	28.2	Very low	108 Å²	108	129.9 Å²	129.9	66%	0.663	70%	0.7	S	S	*	*			trans	41.7	114.5	149.9	56.5	0	0	0	0	123.2
215	Q	33.9	Very low	28.3	Very low	156 Å²	156	126.4 Å²	126.4	73%	0.729	70%	0.698	S	S	*	*				50.7	-167.3	110.8	-73.6	-157.3	-3.5	0	0	119.2
216	P	33.2	Very low	28.3	Very low	95 Å²	95	125.7 Å²	125.7	62%	0.617	69%	0.694	S	S	*	*			cis	-129.3	-156.6	-9.9	33.4	-9.8	0	0	0	114.6
217	M	28	Very low	28.3	Very low	156 Å²	156	128.4 Å²	128.4	77%	0.768	70%	0.7	S	S	*	*			trans	96.5	144.9	156.1	-55.8	-161.5	74.8	0	0	119.9
218	I	28.2	Very low	28.4	Very low	130 Å²	130	126.2 Å²	126.2	67%	0.667	70%	0.702	S	S	*	*			cis	-169.1	153.7	-39.4	-120.2	156.4	0	0	0	109.2
219	D	29.8	Very low	28.6	Very low	142 Å²	142	123.3 Å²	123.3	76%	0.759	70%	0.701	S	S	*	*			trans	155.9	107.6	148.3	-84.1	-22.7	0	0	0	107.8
220	S	27.1	Very low	28.6	Very low	80 Å²	80	121.7 Å²	121.7	56%	0.559	69%	0.686	S	S	*	*				66.6	109.2	63.5	-151.5	0	0	0	0	110.9
221	F	30.4	Very low	28.7	Very low	177 Å²	177	121.8 Å²	121.8	78%	0.776	68%	0.683	S	S	*	*				175.4	164.2	79.8	-92.2	-70.8	0	0	0	107.9
222	D	29.6	Very low	28.8	Very low	128 Å²	128	120.2 Å²	120.2	68%	0.684	69%	0.687	S	S	*	*			cis	-161.8	156.9	-11.1	-158.8	-11.6	0	0	0	109.5
223	S	30.8	Very low	28.8	Very low	115 Å²	115	120.5 Å²	120.5	80%	0.804	69%	0.69	S	S	*	*			trans	57.1	166.9	159.8	76.1	0	0	0	0	118.7
224	G	29.6	Very low	28.7	Very low	66 Å²	66	116.8 Å²	116.8	68%	0.68	69%	0.691	S	S	*	*			cis	179.6	115	-13.3	0	0	0	0	0	108
225	S	26.7	Very low	29	Very low	109 Å²	109	118.2 Å²	118.2	76%	0.762	69%	0.69	S	S	*	*				85.2	120.3	78.9	-148.4	0	0	0	0	114.2
226	L	27.9	Very low	28.8	Very low	112 Å²	112	115.3 Å²	115.3	59%	0.586	68%	0.683	S	S	*	*			trans	84.2	134.4	151.7	-61.1	162.3	0	0	0	123
227	F	27.1	Very low	28.6	Very low	180 Å²	180	116.1 Å²	116.1	79%	0.789	68%	0.683	S	S	*	*			trans	66.2	154	148.7	-58.9	-37.7	0	0	0	119.1
228	A	27.5	Very low	28.6	Very low	84 Å²	84	116.9 Å²	116.9	69%	0.694	68%	0.682	S	S	*	*			cis	-161.3	164.4	-21	0	0	0	0	0	109
229	P	28.9	Very low	28.7	Very low	117 Å²	117	116.1 Å²	116.1	76%	0.76	68%	0.679	S	S	*	*			trans	-96.2	-165.1	-167.5	33.4	-27.5	0	0	0	115.2
230	V	26.8	Very low	28.8	Very low	62 Å²	62	115.4 Å²	115.4	38%	0.376	68%	0.675	S	S	.	*			trans	97.4	101.4	159	-167.5	0	0	0	0	118.5	K258	V230-K258 HydrophobicContact CG1-CG 4.17Å; V230-K258 WeakPolarHBondContact O-CE 3.37Å; V230-K258 PolarHBondContact O-NZ 2.9Å
231	E	27.1	Very low	29	Very low	139 Å²	139	116.9 Å²	116.9	65%	0.65	68%	0.676	S	S	*	*			trans	62.9	142.8	143.6	-62.4	162.2	-169.4	0	0	121.5
232	G	27.9	Very low	29.1	Very low	66 Å²	66	114.4 Å²	114.4	68%	0.68	68%	0.676	S	S	*	*			trans	160	90.4	156.7	0	0	0	0	0	115.6
233	M	28.5	Very low	29.3	Very low	159 Å²	159	117.4 Å²	117.4	78%	0.783	68%	0.678	S	S	*	*			trans	-66.5	137.7	168.6	-73.6	177.7	166.2	0	0	111.5
234	G	28.6	Very low	29.5	Very low	71 Å²	71	117.7 Å²	117.7	73%	0.732	68%	0.675	S	S	*	*			trans	-157.3	58.8	-174.9	0	0	0	0	0	116.5
235	H	31.2	Very low	29.6	Very low	138 Å²	138	119.2 Å²	119.2	64%	0.639	67%	0.667	S	S	*	*			trans	35.5	139.1	131.8	-78.4	-77.8	0	0	0	121.8
236	T	29.3	Very low	30	Very low	95 Å²	95	120.2 Å²	120.2	58%	0.583	66%	0.659	S	S	*	*			cis	-179.1	162.9	-18.1	9.2	0	0	0	0	108.8
237	N	28.9	Very low	30.2	Very low	113 Å²	113	121 Å²	121	60%	0.604	66%	0.664	S	S	*	*			trans	68.5	165.1	157.4	-59.3	-5.4	0	0	0	115.1	L239	N237-L239 HydrophobicContact CB-CD1 4.46Å
238	F	28.1	Very low	30.5	Very low	171 Å²	171	117.4 Å²	117.4	75%	0.75	66%	0.657	S	S	*	*			cis	-117.4	144.5	12.5	-80.6	-110.1	0	0	0	111.1
239	L	30.7	Very low	30.7	Very low	115 Å²	115	121.3 Å²	121.3	60%	0.602	66%	0.661	S	S	*	*				65	117.7	58.5	-78.4	167.9	0	0	0	113.6	N237	N237-L239 HydrophobicContact CB-CD1 4.46Å
240	D	32	Very low	30.8	Very low	126 Å²	126	122.8 Å²	122.8	67%	0.674	66%	0.655	S	S	*	*				-164.8	126.4	107.7	-112	39	0	0	0	109
241	N	30.9	Very low	31.3	Very low	111 Å²	111	126.2 Å²	126.2	59%	0.594	67%	0.667	S	S	*	*				73.3	140.8	92.2	-68.8	-25.2	0	0	0	112.7
242	T	33.5	Very low	31.6	Very low	126 Å²	126	127.3 Å²	127.3	77%	0.773	67%	0.672	S	S	*	*			cis	-154.1	163.5	49	44.1	0	0	0	0	113.1
243	R	33.1	Very low	31.9	Very low	191 Å²	191	129 Å²	129	72%	0.721	67%	0.674	S	S	*	*			cis	178.1	177.7	-15.6	-179.7	175.4	176.8	161.2	1	107.8
244	V	34.5	Very low	32	Very low	121 Å²	121	129 Å²	129	73%	0.733	67%	0.669	S	S	*	*			trans	95.8	120.7	157	-173.3	0	0	0	0	115.2
245	D	32.1	Very low	32.2	Very low	98 Å²	98	130.5 Å²	130.5	52%	0.524	67%	0.667	S	S	.	*			cis	-172.4	167.5	-21.4	-97.9	-22.5	0	0	0	105.8
246	H	35.7	Very low	32.3	Very low	130 Å²	130	128.5 Å²	128.5	60%	0.602	66%	0.66	S	S	*	*			cis	-158.9	153.8	3.2	-124.3	-56.7	0	0	0	108.9
247	N	32.8	Very low	32.4	Very low	127 Å²	127	128.7 Å²	128.7	68%	0.679	66%	0.664	S	S	*	*			trans	69.9	140.6	148.3	-60.1	-16.2	0	0	0	120.4
248	T	31.6	Very low	32.6	Very low	105 Å²	105	129.2 Å²	129.2	64%	0.644	66%	0.661	S	S	*	*			cis	-165.4	144.8	-6.8	13	0	0	0	0	112.6
249	Q	32.7	Very low	32.6	Very low	166 Å²	166	126.9 Å²	126.9	78%	0.776	66%	0.656	S	S	*	*			trans	68	146.9	149.4	-64.3	-179.8	28.9	0	0	119.1
250	K	31.9	Very low	32.6	Very low	148 Å²	148	127.5 Å²	127.5	64%	0.643	66%	0.659	S	S	*	*			cis	-168.5	147.1	-7.4	-124.1	175.1	167.6	-120.4	0	112.1
251	H	36.5	Very low	32.5	Very low	134 Å²	134	131 Å²	131	62%	0.62	66%	0.663	S	S	*	*			trans	60.3	160.7	161.1	-60.1	-61.6	0	0	0	117.8
252	E	32.8	Very low	32.6	Very low	162 Å²	162	133.8 Å²	133.8	76%	0.757	67%	0.67	S	S	*	*			cis	-165.2	177.3	-39.1	-130.7	73.9	-82	0	0	106.8
253	S	34	Very low	32.5	Very low	103 Å²	103	133.5 Å²	133.5	72%	0.72	67%	0.668	S	S	*	*			cis	-158.2	-152.2	-2.5	66.2	0	0	0	0	110.9
254	K	30.3	Very low	32.2	Very low	157 Å²	157	128.8 Å²	128.8	68%	0.683	66%	0.664	S	S	*	*			trans	-152.8	-164.4	169.9	-56.4	-175.5	-178.5	172.7	0	108.3
255	P	33.9	Very low	31.9	Very low	104 Å²	104	131.3 Å²	131.3	68%	0.675	67%	0.666	S	S	*	*			cis	-144.7	177.5	-8.6	44.6	-25.4	0	0	0	118.3
256	I	32.8	Very low	31.9	Very low	96 Å²	96	138.3 Å²	138.3	49%	0.492	69%	0.685	S	S	.	*			trans	46.7	123.3	136.7	-66.5	163.7	0	0	0	122
257	S	32.6	Very low	31.5	Very low	98 Å²	98	138.1 Å²	138.1	69%	0.685	69%	0.687	S	S	*	*				166.7	134.3	109.4	47.8	0	0	0	0	118.6
258	K	31.4	Very low	31.5	Very low	124 Å²	124	143.5 Å²	143.5	54%	0.539	70%	0.698	S	S	.	*			trans	69.6	130.8	130.4	-71.5	-178.7	173.9	-178	0	125.9	V230	V230-K258 HydrophobicContact CG1-CG 4.17Å; V230-K258 WeakPolarHBondContact O-CE 3.37Å; V230-K258 PolarHBondContact O-NZ 2.9Å
259	L	29.4	Very low	31.4	Very low	123 Å²	123	149.7 Å²	149.7	64%	0.644	71%	0.709	S	S	*	*			trans	94.8	99.5	132.3	-102.1	71.5	0	0	0	123.4
260	L	29.4	Very low	31.2	Very low	128 Å²	128	146.7 Å²	146.7	67%	0.67	71%	0.713	S	S	*	*				64.6	133.2	121.3	-71.8	-179.7	0	0	0	124
261	R	31	Very low	31.2	Very low	199 Å²	199	144.5 Å²	144.5	75%	0.751	72%	0.722	S	S	*	*				104	133.7	123.4	-95.3	168.9	-177.9	172.8	0.1	121.7
262	K	32.1	Very low	30.9	Very low	169 Å²	169	143.5 Å²	143.5	74%	0.735	73%	0.729	S	S	*	*			trans	94.7	113.8	136.6	-82.9	-176.7	174.5	-175.4	0	121
263	T	31.6	Very low	30.7	Very low	121 Å²	121	143.4 Å²	143.4	74%	0.742	73%	0.733	S	S	*	*				71.9	154	128.4	61.4	0	0	0	0	120.3
264	S	27	Very low	30.5	Very low	91 Å²	91	144.1 Å²	144.1	64%	0.636	74%	0.735	S	S	*	*			cis	-174.4	165.2	-21.5	-95.6	0	0	0	0	111.4
265	K	28.8	Very low	30.7	Very low	174 Å²	174	141.4 Å²	141.4	76%	0.757	73%	0.734	S	S	*	*			trans	48.9	102.3	143.8	-68	170.1	-179.3	177.9	0	119.3	I267	K265-I267 HydrophobicContact CB-CD1 4.13Å; K265-I267 HydrophobicContact CB-CG1 4.5Å; K265-I267 HydrophobicContact CG-CD1 4.48Å
266	R	31.4	Very low	30.4	Very low	246 Å²	246	143.8 Å²	143.8	93%	0.928	74%	0.74	S	S	*	*			trans	-147.6	118.6	130.2	-101.4	176.1	-179.9	175.4	0.8	106.6
267	I	28.4	Very low	30.3	Very low	126 Å²	126	144.4 Å²	144.4	65%	0.646	75%	0.75	S	S	*	*			cis	70.5	87.8	39.1	-47.1	176.4	0	0	0	113.1	K265	K265-I267 HydrophobicContact CB-CD1 4.13Å; K265-I267 HydrophobicContact CB-CG1 4.5Å; K265-I267 HydrophobicContact CG-CD1 4.48Å
268	R	31.2	Very low	30.3	Very low	240 Å²	240	145.4 Å²	145.4	91%	0.906	75%	0.754	S	S	*	*			trans	-161.4	114.3	139.1	-96.9	161.8	-171.2	-162.2	-0	105
269	R	30.2	Very low	30.4	Very low	235 Å²	235	146.1 Å²	146.1	89%	0.887	77%	0.768	S	S	*	*				69.2	123.5	68.2	-76.5	-167.8	170.4	174.3	-2.2	113.4
270	A	28.1	Very low	30.3	Very low	103 Å²	103	146 Å²	146	85%	0.851	77%	0.773	S	S	*	*			trans	-58.8	159.5	-173.9	0	0	0	0	0	116.4
271	A	32.7	Very low	30.2	Very low	102 Å²	102	151 Å²	151	84%	0.843	78%	0.783	S	S	*	*			trans	-150	157.1	151.1	0	0	0	0	0	108.6
272	C	29	Very low	30.1	Very low	113 Å²	113	148 Å²	148	76%	0.764	79%	0.787	S	S	*	*			trans	-116.3	143.6	-174.2	-58.1	0	0	0	0	111.9
273	L	29.5	Very low	29.8	Very low	160 Å²	160	144 Å²	144	84%	0.838	79%	0.786	S	S	*	*			trans	63.4	171	161.9	-67.4	168.1	0	0	0	115.7
274	P	29.6	Very low	29.7	Very low	117 Å²	117	144.9 Å²	144.9	76%	0.76	79%	0.79	S	S	*	*			cis	-117.1	174.8	-1.7	40.5	-27.4	0	0	0	114.9
275	P	33.5	Very low	29.7	Very low	101 Å²	101	147.6 Å²	147.6	66%	0.656	80%	0.797	S	S	*	*			trans	-92.7	-171.1	179.1	37.8	-37.1	0	0	0	114.7
276	L	28.2	Very low	29.8	Very low	153 Å²	153	146.2 Å²	146.2	80%	0.801	80%	0.803	S	S	*	*			trans	87.8	158	174.8	-54.1	172	0	0	0	116.5
277	P	30.1	Very low	29.7	Very low	109 Å²	109	145.3 Å²	145.3	71%	0.708	80%	0.8	S	S	*	*			cis	-124	168.4	-10.6	35.9	-19.7	0	0	0	114.7
278	P	33.1	Very low	29.9	Very low	120 Å²	120	147 Å²	147	78%	0.779	81%	0.81	S	S	*	*			trans	-88.7	145.4	172.3	35.1	-33.6	0	0	0	113.2
279	V	33	Very low	29.9	Very low	138 Å²	138	140.5 Å²	140.5	84%	0.836	80%	0.802	S	S	*	*			trans	-138.5	141.1	170.9	-175.6	0	0	0	0	110.8
280	T	27.3	Very low	30.4	Very low	121 Å²	121	134 Å²	134	74%	0.742	79%	0.79	S	S	*	*			trans	-116.5	154.3	179.5	56.1	0	0	0	0	111.3
281	R	28.2	Very low	30.7	Very low	234 Å²	234	137.8 Å²	137.8	88%	0.883	79%	0.79	S	S	*	*			trans	46.3	130.1	159	-66.8	177.5	159.3	173	-5.7	117.1
282	T	28.6	Very low	30.8	Very low	135 Å²	135	136.7 Å²	136.7	83%	0.828	78%	0.781	S	S	*	*				-174.9	160.6	69.4	-56.5	0	0	0	0	108.9
283	A	25.8	Very low	31.1	Very low	86 Å²	86	137.5 Å²	137.5	71%	0.711	78%	0.782	S	S	*	*			trans	-69.8	160.3	172.2	0	0	0	0	0	113.4
284	V	29.5	Very low	31.3	Very low	138 Å²	138	137.5 Å²	137.5	84%	0.836	78%	0.775	S	S	*	*				-164.3	149.3	125.8	137.3	0	0	0	0	111.8
285	L	26.9	Very low	31.7	Very low	149 Å²	149	140.2 Å²	140.2	78%	0.78	78%	0.778	S	S	*	*			trans	-35.6	148.5	173	-50.1	162.8	0	0	0	116.6
286	T	32.2	Very low	31.7	Very low	144 Å²	144	138.7 Å²	138.7	88%	0.883	78%	0.78	S	S	*	*				-164.9	140.7	102.9	24.4	0	0	0	0	115.2
287	R	28.5	Very low	32	Very low	228 Å²	228	136.6 Å²	136.6	86%	0.86	78%	0.778	S	S	*	*			trans	-41.8	149.7	164.4	-77	169.8	159.9	163	-7	115.6
288	N	33.2	Very low	32.3	Very low	161 Å²	161	138.7 Å²	138.7	86%	0.861	78%	0.783	S	S	*	*				-171	162.1	99	-91.1	-24.8	0	0	0	112.8
289	S	30.2	Very low	32.8	Very low	104 Å²	104	137.9 Å²	137.9	73%	0.727	78%	0.777	S	S	*	*			trans	-129.7	164.6	174.4	169.9	0	0	0	0	107.9
290	P	40.6	Very low	33	Very low	99 Å²	99	135.7 Å²	135.7	64%	0.643	77%	0.769	S	S	*	*				-148.5	159.1	117.2	38.8	-23.6	0	0	0	116.6
291	E	34	Very low	33.5	Very low	182 Å²	182	137.7 Å²	137.7	85%	0.85	77%	0.769	S	S	*	*			trans	61.7	148.4	137	-70.7	158.7	-154.4	0	0	121.7
292	A	36.2	Very low	33.8	Very low	79 Å²	79	132.4 Å²	132.4	65%	0.653	76%	0.758	S	S	*	*			cis	-168.2	-171.7	-12.5	0	0	0	0	0	111
293	V	34.6	Very low	34.1	Very low	129 Å²	129	130.1 Å²	130.1	78%	0.782	75%	0.748	S	S	*	*			trans	74.2	131.1	159.6	176.3	0	0	0	0	117
294	F	33.5	Very low	34.5	Very low	160 Å²	160	131.8 Å²	131.8	70%	0.702	75%	0.749	S	S	*	*			cis	-167.8	149.5	-22.2	-121.1	-55.1	0	0	0	111
295	H	37.7	Very low	34.7	Very low	174 Å²	174	129.4 Å²	129.4	81%	0.806	74%	0.739	S	S	*	*			trans	57.1	148.4	163.6	-57.5	-62.4	0	0	0	118.7
296	G	34.5	Very low	34.9	Very low	69 Å²	69	128.2 Å²	128.2	71%	0.711	73%	0.732	S	S	*	*			cis	158.2	152.7	1.7	0	0	0	0	0	107.3
297	S	34.8	Very low	35	Very low	109 Å²	109	128.4 Å²	128.4	76%	0.762	72%	0.721	S	S	*	*			cis	-149.5	161.3	6.8	-77.6	0	0	0	0	107.7
298	L	36	Very low	35.1	Very low	154 Å²	154	127.2 Å²	127.2	81%	0.806	72%	0.716	S	S	*	*				67.4	145.2	50.6	-83.4	96.4	0	0	0	115.7
299	P	44.2	Very low	35.1	Very low	102 Å²	102	124.1 Å²	124.1	66%	0.662	71%	0.707	S	S	*	*			cis	-150.9	-157.5	-29.9	41.5	-21.1	0	0	0	115
300	S	36.5	Very low	35.2	Very low	93 Å²	93	123.5 Å²	123.5	65%	0.65	70%	0.703	S	S	*	*			trans	87.5	146.6	151.8	86.8	0	0	0	0	117.2
301	H	38.1	Very low	34.7	Very low	162 Å²	162	125.6 Å²	125.6	75%	0.75	71%	0.709	S	S	*	*			cis	-140	167	-1.3	-92.2	-66.6	0	0	0	107.6
302	N	35	Very low	34.6	Very low	123 Å²	123	122.1 Å²	122.1	66%	0.658	71%	0.705	S	S	*	*			cis	-152.6	157.7	1	-122.8	-8.1	0	0	0	108.9
303	S	33.9	Very low	34.6	Very low	88 Å²	88	123.2 Å²	123.2	62%	0.615	71%	0.705	S	S	*	*				56.3	140.8	87.8	105.9	0	0	0	0	116.3
304	V	34.4	Very low	34.2	Very low	121 Å²	121	126.6 Å²	126.6	73%	0.733	71%	0.71	S	S	*	*			cis	-160	145.4	14.7	83.7	0	0	0	0	113.4
305	S	33.4	Very low	34.1	Very low	88 Å²	88	123.2 Å²	123.2	62%	0.615	71%	0.711	S	S	*	*			trans	72.4	154.7	140.6	-62.3	0	0	0	0	124.3
306	L	31.6	Very low	33.9	Very low	124 Å²	124	121.9 Å²	121.9	65%	0.649	71%	0.71	S	S	*	*			cis	-170.4	150.2	-20	-102.9	170.1	0	0	0	109.7
307	K	33.9	Very low	33.7	Very low	148 Å²	148	124.9 Å²	124.9	64%	0.643	71%	0.705	S	S	*	*			trans	69	148	142.2	-80.8	166.3	-177	155.2	0	119
308	R	31.7	Very low	33.7	Very low	202 Å²	202	126.6 Å²	126.6	76%	0.762	70%	0.699	S	S	*	*			cis	-169.9	157.9	-10	-140.3	175.4	-162.2	176.4	-1.7	111.8
309	S	32.4	Very low	33.5	Very low	96 Å²	96	124 Å²	124	67%	0.671	69%	0.686	S	S	*	*			trans	51.4	147.6	139.8	59.2	0	0	0	0	122.6
310	S	31.3	Very low	33.1	Very low	92 Å²	92	124.3 Å²	124.3	64%	0.643	67%	0.674	S	S	*	*			cis	179.7	160.3	-11.3	52.6	0	0	0	0	112.8
311	N	31.9	Very low	33	Very low	143 Å²	143	128.1 Å²	128.1	77%	0.765	68%	0.679	S	S	*	*			trans	72	99.5	142.3	-66.6	1.4	0	0	0	122.9
312	S	30.6	Very low	32.9	Very low	109 Å²	109	125.2 Å²	125.2	76%	0.762	67%	0.666	S	S	*	*				82.1	174.2	112.5	86.3	0	0	0	0	119
313	P	35.9	Very low	32.7	Very low	102 Å²	102	124.7 Å²	124.7	66%	0.662	67%	0.67	S	S	*	*				-140.3	-160	-109.5	36	-10.4	0	0	0	116.1
314	F	27.1	Very low	32.5	Very low	200 Å²	200	130.7 Å²	130.7	88%	0.877	68%	0.679	S	S	*	*			trans	90.5	143.8	171.6	-72.8	-86.8	0	0	0	119.2
315	A	31.8	Very low	32.3	Very low	88 Å²	88	134.2 Å²	134.2	73%	0.727	68%	0.68	S	S	*	*			trans	62.4	151.8	170.2	0	0	0	0	0	117.2
316	D	32.7	Very low	32.2	Very low	146 Å²	146	135.4 Å²	135.4	78%	0.781	68%	0.676	S	S	*	*			cis	-151.4	161.4	-17	-125.2	-33.4	0	0	0	113.1
317	E	30.4	Very low	32.3	Very low	132 Å²	132	134.7 Å²	134.7	62%	0.617	68%	0.681	S	S	*	*			trans	16.8	160.6	153.1	-102.6	-162.7	113.2	0	0	126.9
318	K	34.7	Very low	32.1	Very low	146 Å²	146	134.2 Å²	134.2	64%	0.635	69%	0.685	S	S	*	*			trans	73	150.4	152.3	-73.3	154.6	178.4	138.2	0	118.4
319	N	32.4	Very low	32	Very low	98 Å²	98	130.3 Å²	130.3	52%	0.524	69%	0.687	S	S	.	*			cis	-153.7	-172.1	-26.2	-140.1	-31	0	0	0	112.4	K929	N319-K929 WeakPolarHBondContact O-CD 3.48Å
320	R	36.2	Very low	31.9	Very low	110 Å²	110	130.6 Å²	130.6	42%	0.415	69%	0.69	S	S	.	*			trans	-66.3	172.9	177.8	-51	-175	-147.4	-163.3	-169	113.6	K929 Q930	R320-K929 HydrophobicContact CG-CB 4.3Å; R320-Q930 HydrophobicContact CG-CB 4.11Å; R320-Q930 PolarHBondContact NH2-O 3.27Å
321	K	32.8	Very low	31.8	Very low	172 Å²	172	132.5 Å²	132.5	75%	0.748	70%	0.697	S	S	*	*			cis	-154.8	-171.7	36.1	-50.6	169.9	-168.9	171.8	0	112.4	D927 V928	K321-D927 CarbonylContact O-C 3.51Å; K321-V928 CarbonylContact C-O 3.56Å; K321-V928 WeakPolarHBondContact CA-O 3.44Å; K321-V928 PolarHBondContact N-O 3.32Å; K321-V928 PolarHBondContact O-N 3.4Å
322	Q	37.6	Very low	31.6	Very low	101 Å²	101	133.1 Å²	133.1	47%	0.472	70%	0.699	S	S	.	*				173.5	120.2	-68.2	-174.6	167	17.8	0	0	112.5	K929 Q930	Q322-K929 WeakPolarHBondContact CB-O 3.45Å; Q322-K929 WeakPolarHBondContact CG-O 3.29Å; Q322-K929 PolarHBondContact OE1-O 2.87Å; Q322-Q930 PolarHBondContact NE2-O 3.47Å; Q322-Q930 VanDerWaalsContact NE2-O 3.1Å; Q322-Q930 PolarHBondContact OE1-O 2.89Å
323	C	29.9	Very low	31.4	Very low	112 Å²	112	132.9 Å²	132.9	76%	0.757	70%	0.698	S	S	*	*			trans	69.5	172.8	167.5	-70.1	0	0	0	0	118.2
324	R	29.5	Very low	31	Very low	214 Å²	214	131.4 Å²	131.4	81%	0.808	70%	0.701	S	S	*	*			cis	-156.3	176.6	6.4	-131.7	164.3	-165.8	168.5	0.9	108.3
325	R	31.2	Very low	31	Very low	195 Å²	195	131.8 Å²	131.8	74%	0.736	71%	0.706	S	S	*	*				-160.9	134.8	54.5	-66.9	-173.5	83.7	136.8	13.5	109.5
326	E	30.5	Very low	30.6	Very low	114 Å²	114	131.1 Å²	131.1	53%	0.533	71%	0.707	S	S	.	*				77.4	151.1	105.7	-63.1	160.6	-163.7	0	0	114.7
327	S	34.7	Very low	30.3	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	72%	0.715	S	S	*	*			cis	-136.4	130.5	8.7	37.9	0	0	0	0	110.3
328	N	28.5	Very low	30.2	Very low	138 Å²	138	132.7 Å²	132.7	74%	0.738	72%	0.723	S	S	*	*				86.1	95.2	72.6	-64.7	-9.1	0	0	0	115.2
329	C	30.3	Very low	29.9	Very low	119 Å²	119	132.5 Å²	132.5	80%	0.804	74%	0.735	S	S	*	*			trans	-163.3	104.8	132.7	-93.8	0	0	0	0	105.8
330	S	30.2	Very low	29.7	Very low	103 Å²	103	134.7 Å²	134.7	72%	0.72	74%	0.74	S	S	*	*				72	141.9	74.4	71.4	0	0	0	0	112.9
331	V	28.2	Very low	29.2	Very low	132 Å²	132	135.2 Å²	135.2	80%	0.8	76%	0.755	S	S	*	*			cis	-169.3	148.8	-0.7	123.5	0	0	0	0	105.3
332	L	28	Very low	29	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	75%	0.752	S	S	*	*			cis	-144.5	-164.9	3.2	-130.8	174.8	0	0	0	110.2
333	S	27.4	Very low	28.4	Very low	105 Å²	105	137 Å²	137	73%	0.734	77%	0.766	S	S	*	*			trans	-92.7	151.5	171	-51.6	0	0	0	0	113.3
334	G	27	Very low	28.3	Very low	71 Å²	71	138.5 Å²	138.5	73%	0.732	77%	0.771	S	S	*	*				60.5	145.4	122.3	0	0	0	0	0	123
335	Q	26.3	Very low	28.1	Very low	208 Å²	208	134.8 Å²	134.8	97%	0.972	77%	0.767	S	S	*	*			trans	70.3	158	171.2	-56.9	-179	-8.4	0	0	115
336	G	23.5	Very low	27.7	Very low	73 Å²	73	131.9 Å²	131.9	75%	0.753	78%	0.775	S	S	*	*			trans	-130.6	163	-172.3	0	0	0	0	0	112.9
337	L	27.6	Very low	27.4	Very low	180 Å²	180	132.8 Å²	132.8	94%	0.942	78%	0.779	S	S	*	*			trans	-156.9	158.8	174.7	-105.3	163.7	0	0	0	109.4
338	V	26.9	Very low	26.8	Very low	131 Å²	131	134.6 Å²	134.6	79%	0.794	79%	0.785	S	S	*	*			trans	-126.2	132.5	-176.9	174.2	0	0	0	0	110.5
339	T	29.5	Very low	26.6	Very low	143 Å²	143	134.5 Å²	134.5	88%	0.877	78%	0.78	S	S	*	*			trans	-145.3	157.3	167.7	45.2	0	0	0	0	111
340	K	27.1	Very low	26.5	Very low	144 Å²	144	135 Å²	135	63%	0.626	78%	0.782	S	S	*	*			trans	-124.2	-174.2	-166.9	-97.2	-163.2	174.4	-160.7	0	113.5	T944 T945	K340-T944 WeakPolarHBondContact CE-O 3.44Å; K340-T944 PolarHBondContact NZ-O 3.33Å; K340-T945 PolarHBondContact NZ-O 3.16Å; K340-T945 VanDerWaalsContact NZ-O 3.15Å
341	T	26.3	Very low	26.2	Very low	120 Å²	120	134.1 Å²	134.1	74%	0.736	78%	0.775	S	S	*	*			trans	85.5	146.2	174.8	69.8	0	0	0	0	116
342	H	29	Very low	25.9	Very low	150 Å²	150	136 Å²	136	69%	0.694	78%	0.775	S	S	*	*			cis	-142.9	138.9	-15.3	-93	-57.3	0	0	0	105.9
343	E	25	Very low	25.7	Very low	160 Å²	160	135.2 Å²	135.2	75%	0.748	77%	0.772	S	S	*	*				69.4	100.9	69.5	-69.8	-174	137.8	0	0	117.7
344	V	27.9	Very low	25.4	Very low	145 Å²	145	138.6 Å²	138.6	88%	0.879	78%	0.781	S	S	*	*			trans	-152.7	93.6	134.3	-176.2	0	0	0	0	105.6
345	L	24.1	Very low	25.2	Very low	136 Å²	136	145.6 Å²	145.6	71%	0.712	79%	0.787	S	S	*	*				69.7	101.2	72.1	-164.8	76.6	0	0	0	115.3
346	C	24.3	Very low	24.9	Very low	133 Å²	133	141.2 Å²	141.2	90%	0.899	77%	0.774	S	S	*	*			trans	-155	138	139.5	-139.3	0	0	0	0	109.6
347	H	23.4	Very low	24.9	Very low	133 Å²	133	144.2 Å²	144.2	62%	0.616	77%	0.773	S	S	*	*			trans	-92.7	143.3	-168.8	-83.7	-125.4	0	0	0	114.1
348	V	23	Very low	24.6	Very low	147 Å²	147	140.6 Å²	140.6	89%	0.891	76%	0.758	S	S	*	*				-140.5	139.7	123.6	-175.6	0	0	0	0	107.7
349	Q	24.4	Very low	24.5	Very low	137 Å²	137	140.1 Å²	140.1	64%	0.64	75%	0.746	S	S	*	*			trans	-97.1	150	-177.3	-73.8	169.2	-108.5	0	0	113.2
350	P	27.6	Very low	24.3	Very low	130 Å²	130	138.2 Å²	138.2	84%	0.844	74%	0.738	S	S	*	*			trans	-85.6	123.4	152.5	33.6	-27.9	0	0	0	110.1
351	S	22.7	Very low	24.4	Very low	83 Å²	83	138.6 Å²	138.6	58%	0.58	75%	0.746	S	S	*	*			trans	-155.5	110.5	175.5	54.6	0	0	0	0	108.2
352	E	23	Very low	24.4	Very low	172 Å²	172	137.2 Å²	137.2	80%	0.804	74%	0.741	S	S	*	*				99.7	133.4	84.5	-87.1	-171.9	-169.2	0	0	112.1
353	N	23.2	Very low	24.2	Very low	139 Å²	139	134.2 Å²	134.2	74%	0.743	74%	0.738	S	S	*	*			trans	26.6	108.9	146.5	-51.5	-48.5	0	0	0	119
354	L	21.6	Very low	24.4	Very low	175 Å²	175	134.6 Å²	134.6	92%	0.916	74%	0.744	S	S	*	*			trans	-149.8	106.6	132.8	-108.2	167.3	0	0	0	111.1
355	Y	21.9	Very low	24.5	Very low	219 Å²	219	135 Å²	135	86%	0.859	73%	0.734	S	S	*	*			trans	-75	177.5	153.2	-132.1	-106.8	0	0	0	107.9
356	V	21.7	Very low	24.7	Very low	116 Å²	116	134.2 Å²	134.2	70%	0.703	73%	0.73	S	S	*	*			trans	85.3	105.9	165.7	-171.8	0	0	0	0	118.5
357	N	21.8	Very low	25.1	Very low	135 Å²	135	134 Å²	134	72%	0.722	72%	0.717	S	S	*	*			trans	53.6	125.3	135.7	-68.7	-5.8	0	0	0	125.4
358	T	22.8	Very low	25.6	Very low	105 Å²	105	134.8 Å²	134.8	64%	0.644	72%	0.72	S	S	*	*				58.1	128.7	125.8	69.8	0	0	0	0	123.7
359	K	24	Very low	26.1	Very low	120 Å²	120	134.9 Å²	134.9	52%	0.522	71%	0.711	S	S	.	*			trans	68.6	127.9	136.1	-70.6	179.5	-167.8	-175	0	121	S819 P820	K359-S819 PolarHBondContact NZ-O 2.78Å; K359-P820 PolarHBondContact NZ-O 3.42Å
360	S	25.8	Very low	26.5	Very low	104 Å²	104	133.5 Å²	133.5	73%	0.727	71%	0.707	S	S	*	*			trans	77	133.7	132	-170	0	0	0	0	120.6
361	L	28.5	Very low	26.8	Very low	151 Å²	151	135.1 Å²	135.1	79%	0.791	70%	0.701	S	S	*	*			trans	140.5	106.9	146.5	-73.5	168.7	0	0	0	106.7
362	S	26.2	Very low	27.3	Very low	91 Å²	91	136.3 Å²	136.3	64%	0.636	71%	0.709	S	S	*	*				66.3	140.6	61.2	82.6	0	0	0	0	113.1
363	S	26.1	Very low	27.9	Very low	88 Å²	88	136.5 Å²	136.5	62%	0.615	71%	0.707	S	S	*	*			cis	177.8	141.2	-7.6	44.1	0	0	0	0	109.5
364	L	29.2	Very low	28.2	Very low	167 Å²	167	136 Å²	136	87%	0.874	70%	0.704	S	S	*	*			trans	-155.1	146.6	156.4	-63	176.9	0	0	0	108.8
365	F	29.3	Very low	28.6	Very low	153 Å²	153	133.3 Å²	133.3	67%	0.671	69%	0.69	S	S	*	*			cis	-169.9	124.5	-37.6	-129.2	-77.5	0	0	0	106.6
366	N	28.7	Very low	28.9	Very low	120 Å²	120	129.3 Å²	129.3	64%	0.642	68%	0.681	S	S	*	*			trans	64	161.7	157.2	-71.8	13.1	0	0	0	120.5
367	Q	32	Very low	29.4	Very low	130 Å²	130	132 Å²	132	61%	0.607	69%	0.686	S	S	*	*			cis	-157.9	161.3	-3.9	-124.9	159.1	-58.5	0	0	112.1
368	E	34.3	Very low	30.2	Very low	149 Å²	149	130 Å²	130	70%	0.696	68%	0.68	S	S	*	*			trans	62.7	148.1	145.8	-81.6	145.4	-154.5	0	0	122.3
369	E	33.3	Very low	30.6	Very low	149 Å²	149	131.9 Å²	131.9	70%	0.696	69%	0.692	S	S	*	*			cis	-170.5	157.7	-20	-126.7	-161	156.8	0	0	112.5
370	I	33.7	Very low	31.1	Very low	108 Å²	108	129.6 Å²	129.6	55%	0.554	70%	0.703	S	S	*	*			trans	59.6	145.5	141.1	-75.6	-175.6	0	0	0	121.1
371	K	32.9	Very low	31.8	Very low	163 Å²	163	129.7 Å²	129.7	71%	0.709	70%	0.701	S	S	*	*			cis	-168.2	143.2	-9.3	-107.5	174.1	-157.7	148.8	0	111.3
372	S	32.5	Very low	32.1	Very low	109 Å²	109	130 Å²	130	76%	0.762	70%	0.698	S	S	*	*			trans	62.4	163.6	137.8	82	0	0	0	0	120.6
373	K	37.1	Very low	32.5	Very low	175 Å²	175	133.7 Å²	133.7	76%	0.761	70%	0.703	S	S	*	*			cis	-169.4	139.9	-0.8	-131.7	-172.4	167.8	-164	0	109.9
374	L	28.9	Very low	32.7	Very low	129 Å²	129	134 Å²	134	68%	0.675	71%	0.705	S	S	*	*			trans	59.6	162.3	147	-61	169.8	0	0	0	119.7
375	D	29.8	Very low	32.6	Very low	118 Å²	118	132.8 Å²	132.8	63%	0.631	71%	0.705	S	S	*	*			cis	-156.9	163.1	-4.6	-124.5	-24.7	0	0	0	116.4
376	M	28.4	Very low	32.7	Very low	136 Å²	136	131.4 Å²	131.4	67%	0.67	71%	0.714	S	S	*	*			trans	40.4	112.1	147.9	-70.3	-51.4	101	0	0	127.4
377	Q	32.8	Very low	32.6	Very low	173 Å²	173	130.2 Å²	130.2	81%	0.808	72%	0.721	S	S	*	*				78.7	171.7	105.9	-102.7	-151.6	31.6	0	0	123.6
378	P	37.1	Very low	32.2	Very low	92 Å²	92	129.2 Å²	129.2	60%	0.597	73%	0.727	S	S	*	*				-143.5	-146.5	-120	47.8	-24.5	0	0	0	117.1
379	T	32.8	Very low	31.8	Very low	144 Å²	144	128.3 Å²	128.3	88%	0.883	73%	0.726	S	S	*	*			trans	111.6	151.1	157.7	70.2	0	0	0	0	119.3
380	G	33.3	Very low	31.4	Very low	73 Å²	73	127.2 Å²	127.2	75%	0.753	73%	0.725	S	S	*	*			trans	136	117.5	165.4	0	0	0	0	0	117.1
381	P	40.3	Very low	31	Very low	106 Å²	106	130.3 Å²	130.3	69%	0.688	73%	0.734	S	S	*	*			trans	-131	-177.3	-170.6	39.9	-24.1	0	0	0	118.3
382	H	35.6	Very low	30.7	Very low	157 Å²	157	131.9 Å²	131.9	73%	0.727	74%	0.741	S	S	*	*			trans	87.2	153.9	162.1	-60.8	-37.6	0	0	0	119
383	K	33.9	Very low	30.4	Very low	169 Å²	169	137.9 Å²	137.9	74%	0.735	75%	0.747	S	S	*	*			cis	-161.9	156.5	-1.9	-121.9	164.6	-166.4	171.4	0	114.1
384	S	29.9	Very low	29.9	Very low	94 Å²	94	133.4 Å²	133.4	66%	0.657	74%	0.738	S	S	*	*			trans	35.2	123.9	150.6	59.2	0	0	0	0	123.6
385	T	27.7	Very low	30	Very low	142 Å²	142	134.9 Å²	134.9	87%	0.871	74%	0.741	S	S	*	*				71.2	118.7	75.9	-25.2	0	0	0	0	118.3
386	S	31.3	Very low	29.8	Very low	124 Å²	124	133.4 Å²	133.4	87%	0.867	74%	0.74	S	S	*	*			trans	-162.6	176	146.6	76.2	0	0	0	0	110.9
387	A	27.7	Very low	29.7	Very low	95 Å²	95	136.2 Å²	136.2	79%	0.785	75%	0.749	S	S	*	*			trans	-152.6	173.5	-168.5	0	0	0	0	0	115.7
388	C	22.9	Very low	29.5	Very low	108 Å²	108	132.9 Å²	132.9	73%	0.73	74%	0.744	S	S	*	*			trans	86.4	136.5	155.4	-109.5	0	0	0	0	122
389	N	25.7	Very low	29	Very low	130 Å²	130	131.9 Å²	131.9	70%	0.695	75%	0.751	S	S	*	*			trans	91.6	119	134.4	-71.3	-19.2	0	0	0	124.5
390	L	25.1	Very low	28.8	Very low	126 Å²	126	130 Å²	130	66%	0.66	74%	0.744	S	S	*	*			trans	74.3	121.7	131.2	-90.9	68.7	0	0	0	122.9
391	K	24.2	Very low	28.5	Very low	174 Å²	174	135 Å²	135	76%	0.757	75%	0.752	S	S	*	*			trans	50.2	107.3	131.3	-61.9	173.5	-171.6	172.7	0	119.1
392	K	27.6	Very low	27.8	Very low	195 Å²	195	133.6 Å²	133.6	85%	0.848	75%	0.745	S	S	*	*				-169.7	147.5	104.8	-93.1	146.7	-171.7	174.7	0	108.1
393	R	25.2	Very low	27.3	Very low	236 Å²	236	133.5 Å²	133.5	89%	0.891	74%	0.744	S	S	*	*				47.9	129.5	79.4	-92.4	-174.8	178.3	-178.7	-0.3	111.4
394	S	27.3	Very low	26.9	Very low	81 Å²	81	131.3 Å²	131.3	57%	0.566	75%	0.745	S	S	*	*			cis	-167.3	178.5	17.2	42.5	0	0	0	0	113.2
395	H	31.1	Very low	26.6	Very low	160 Å²	160	132.1 Å²	132.1	74%	0.741	75%	0.751	S	S	*	*			trans	71.3	119.7	164.1	-53.3	-53.7	0	0	0	117
396	S	26.6	Very low	26.4	Very low	87 Å²	87	130.2 Å²	130.2	61%	0.608	74%	0.743	S	S	*	*			cis	68.1	94.4	27	98.2	0	0	0	0	112.6
397	F	26.4	Very low	26.2	Very low	195 Å²	195	130.2 Å²	130.2	86%	0.855	74%	0.738	S	S	*	*				175.6	167.4	94	-108.7	-130.8	0	0	0	106.3
398	S	27.4	Very low	26.1	Very low	102 Å²	102	133.8 Å²	133.8	71%	0.713	74%	0.743	S	S	*	*			cis	-179.8	157.2	-17.9	53.7	0	0	0	0	108.4
399	G	27.7	Very low	26.2	Very low	71 Å²	71	133.7 Å²	133.7	73%	0.732	75%	0.75	S	S	*	*			trans	140.5	85.5	176.6	0	0	0	0	0	111
400	S	27.1	Very low	26.4	Very low	106 Å²	106	130.5 Å²	130.5	74%	0.741	75%	0.747	S	S	*	*			cis	65.9	74	30.1	-173.8	0	0	0	0	113.9
401	L	27.9	Very low	26.6	Very low	178 Å²	178	134 Å²	134	93%	0.932	76%	0.758	S	S	*	*			trans	-115.7	99.4	148.8	-96.2	168.9	0	0	0	109.6
402	S	25.4	Very low	26.7	Very low	76 Å²	76	132.8 Å²	132.8	53%	0.531	75%	0.748	S	S	.	*			trans	-77.2	-166.6	165.8	48.2	0	0	0	0	110.9
403	H	26.2	Very low	26.6	Very low	154 Å²	154	130.2 Å²	130.2	71%	0.713	74%	0.743	S	S	*	*			trans	82	102.1	174.4	-61.6	-72.3	0	0	0	115.6
404	T	24.1	Very low	26.8	Very low	124 Å²	124	125.9 Å²	125.9	76%	0.761	74%	0.737	S	S	*	*				77.8	100.8	62.3	66.8	0	0	0	0	114
405	S	24.2	Very low	26.8	Very low	111 Å²	111	130.4 Å²	130.4	78%	0.776	75%	0.749	S	S	*	*			trans	-149.8	117.5	157.3	47.6	0	0	0	0	111.4
406	S	24.1	Very low	26.6	Very low	101 Å²	101	130.2 Å²	130.2	71%	0.706	75%	0.746	S	S	*	*			trans	27.1	122.8	132.8	57.3	0	0	0	0	119
407	V	26.8	Very low	26.6	Very low	125 Å²	125	134.8 Å²	134.8	76%	0.758	75%	0.751	S	S	*	*				61.9	119.8	68.8	178.5	0	0	0	0	112.9
408	L	25	Very low	26.7	Very low	169 Å²	169	131.5 Å²	131.5	89%	0.885	75%	0.751	S	S	*	*			trans	59.7	107.3	169.4	-67.9	167.9	0	0	0	118.3
409	A	24.2	Very low	26.6	Very low	107 Å²	107	131.4 Å²	131.4	88%	0.884	75%	0.75	S	S	*	*				-174.7	157.4	118.4	0	0	0	0	0	111.6
410	G	30.3	Very low	26.5	Very low	62 Å²	62	139.4 Å²	139.4	64%	0.639	76%	0.758	S	S	*	*			trans	-141.7	158.1	166.1	0	0	0	0	0	110.7
411	K	31	Very low	26.8	Very low	201 Å²	201	139.1 Å²	139.1	87%	0.874	75%	0.754	S	S	*	*			trans	69.3	141.2	-169.8	-42.6	174.8	-178	178.2	0	111.2
412	R	25.6	Very low	26.6	Very low	148 Å²	148	137.7 Å²	137.7	56%	0.558	74%	0.742	S	S	*	*			cis	-145.4	149.5	38.2	-85.3	169.7	165	171.6	3.2	111	H477	R412-H477 WeakPolarHBondContact CD-NE2 3.48Å; R412-H477 PolarHBondContact NH1-CD2 3.41Å; R412-H477 PolarHBondContact NH1-NE2 3.1Å
413	L	26	Very low	26.4	Very low	141 Å²	141	143.3 Å²	143.3	74%	0.738	75%	0.752	S	S	*	*				50.9	138.4	98	-42.4	172.4	0	0	0	114.2
414	L	29.2	Very low	26.3	Very low	144 Å²	144	142.9 Å²	142.9	75%	0.754	75%	0.754	S	S	*	*			cis	-167.5	-174.2	-8	-121.7	174.8	0	0	0	107.2
415	Q	26.2	Very low	26.3	Very low	176 Å²	176	141.2 Å²	141.2	82%	0.822	75%	0.747	S	S	*	*			trans	66.1	128.7	163.3	-76.6	174.1	-15	0	0	115
416	K	27.6	Very low	26.3	Very low	157 Å²	157	141.3 Å²	141.3	68%	0.683	74%	0.744	S	S	*	*				-149.6	154.5	51.8	-123.9	166.8	176.7	-170.6	0	113.6
417	Y	27.2	Very low	26.4	Very low	183 Å²	183	143.8 Å²	143.8	72%	0.718	75%	0.747	S	S	*	*			trans	60.7	76.5	167.8	-56.8	-60.1	0	0	0	119.2
418	C	26.8	Very low	26.2	Very low	126 Å²	126	144.8 Å²	144.8	85%	0.851	74%	0.744	S	S	*	*				-53	127.1	124.6	-48.4	0	0	0	0	110.1
419	S	26.9	Very low	26.3	Very low	100 Å²	100	144 Å²	144	70%	0.699	74%	0.735	S	S	*	*			trans	-167.7	99.7	150.9	-100	0	0	0	0	107.2
420	R	25.8	Very low	26.4	Very low	238 Å²	238	143.9 Å²	143.9	90%	0.898	73%	0.727	S	S	*	*				85.1	150.9	83.1	-86.6	-166.3	171.3	-165.1	-1.7	112.1
421	P	31.5	Very low	26.1	Very low	100 Å²	100	148.5 Å²	148.5	65%	0.649	74%	0.736	S	S	*	*				-135.2	-155.2	-126.6	41.2	-22.1	0	0	0	113.7
422	H	24.4	Very low	25.8	Very low	149 Å²	149	144.1 Å²	144.1	69%	0.69	73%	0.731	S	S	*	*			trans	92.7	117.1	151.9	-78.1	-26.9	0	0	0	120.5
423	R	22.5	Very low	25.9	Very low	193 Å²	193	140 Å²	140	73%	0.728	73%	0.725	S	S	*	*				89	128.4	117.4	-80.7	177.5	177.9	-121.5	-0.8	120
424	L	23.7	Very low	26.1	Very low	146 Å²	146	143.3 Å²	143.3	76%	0.764	73%	0.733	S	S	*	*			trans	72.7	143.8	140.7	-62.9	167.2	0	0	0	116.1
425	S	23.5	Very low	26	Very low	88 Å²	88	141 Å²	141	62%	0.615	73%	0.729	S	S	*	*			cis	-166.6	165.7	-6.3	41	0	0	0	0	111.2
426	T	23.2	Very low	26.3	Very low	114 Å²	114	137.7 Å²	137.7	70%	0.699	72%	0.723	S	S	*	*			trans	72.1	131.7	164.3	-23.3	0	0	0	0	112.1
427	I	26.7	Very low	26.5	Very low	152 Å²	152	132.3 Å²	132.3	78%	0.779	71%	0.712	S	S	*	*			cis	-140.5	118.6	39.4	-68.7	157.4	0	0	0	111.6
428	Q	24.1	Very low	26.7	Very low	147 Å²	147	132 Å²	132	69%	0.687	71%	0.71	S	S	*	*				35.2	138.6	122.4	-123.8	166.1	-61.2	0	0	123
429	H	27	Very low	27.1	Very low	153 Å²	153	130 Å²	130	71%	0.708	70%	0.697	S	S	*	*			trans	94	116.1	159.2	-63.3	-73.4	0	0	0	121.7
430	S	24.5	Very low	27.5	Very low	103 Å²	103	133.6 Å²	133.6	72%	0.72	70%	0.695	S	S	*	*			trans	57	145.3	143.8	52.8	0	0	0	0	122.7
431	I	25.1	Very low	27.9	Very low	159 Å²	159	130.5 Å²	130.5	82%	0.815	68%	0.684	S	S	*	*			cis	-171.9	139.2	-36.8	-111.1	156	0	0	0	106.9
432	S	25.5	Very low	28.2	Very low	109 Å²	109	133.5 Å²	133.5	76%	0.762	68%	0.682	S	S	*	*			trans	56.6	175.2	173.8	-138	0	0	0	0	116.4
433	S	27.5	Very low	29.1	Very low	63 Å²	63	132.8 Å²	132.8	44%	0.441	68%	0.679	S	S	.	*			cis	-130.1	134.7	-33.8	-15.7	0	0	0	0	107.4	E864	S433-E864 WeakPolarHBondContact CB-OE1 3.28Å; S433-E864 PolarHBondContact OG-OE1 3.12Å
434	K	28.5	Very low	29.7	Very low	209 Å²	209	128.8 Å²	128.8	91%	0.909	67%	0.67	S	S	*	*			trans	-132.6	122	171.7	-70.7	-171.8	178	174.8	0	111.9
435	S	28.2	Very low	30.3	Very low	95 Å²	95	127.3 Å²	127.3	66%	0.664	66%	0.655	S	S	*	*			trans	-68.2	134.6	-161.7	55.5	0	0	0	0	113.6	G437	S435-G437 PolarHBondContact O-N 2.85Å
436	P	31.4	Very low	31.2	Very low	107 Å²	107	128.6 Å²	128.6	70%	0.695	65%	0.651	S	S	*	*	S	Bend	trans	-81.9	-10.2	-170	30.9	-36.1	0	0	0	115.2	R440	P436-R440 WeakPolarHBondContact O-CB 3.27Å; P436-R440 PolarHBondContact O-N 3.24Å
437	G	31.8	Very low	31.9	Very low	44 Å²	44	125.8 Å²	125.8	45%	0.454	63%	0.63	S	S	.	*	H	α-helix	trans	-66.1	-53.2	-168.2	0	0	0	0	0	114.9	S435 S439 R440 W441	S435-G437 PolarHBondContact O-N 2.85Å; G437-S439 PolarHBondContact O-N 3Å; G437-R440 CarbonylContact O-C 3.54Å; G437-R440 WeakPolarHBondContact O-CB 3.3Å; G437-R440 PolarHBondContact O-N 3.36Å; G437-R440 VanDerWaalsContact O-N 3.1Å; G437-W441 PolarHBondContact O-N 3.47Å
438	W	31.7	Very low	32.1	Very low	177 Å²	177	123.8 Å²	123.8	67%	0.67	62%	0.62	S	S	*	*	H	α-helix	trans	-67.1	-37.6	-170	-76.9	76.8	0	0	0	113.6	R440 W441 R442	W438-R440 VanDerWaalsContact C-N 3.34Å; W438-W441 PolarHBondContact O-N 3.43Å; W438-R442 WeakPolarHBondContact O-CG 3.14Å; W438-R442 PolarHBondContact O-N 2.93Å
439	S	36.6	Very low	32.7	Very low	84 Å²	84	124.9 Å²	124.9	59%	0.587	62%	0.618	S	S	*	*	H	α-helix	trans	-62.2	-43.4	171.9	-58.7	0	0	0	0	110.9	G437 Q443	G437-S439 PolarHBondContact O-N 3Å; S439-Q443 WeakPolarHBondContact O-CB 3.4Å; S439-Q443 PolarHBondContact O-N 3.11Å
440	R	35.5	Very low	33	Very low	176 Å²	176	125.5 Å²	125.5	66%	0.664	61%	0.614	S	S	*	*	H	α-helix	trans	-67.7	-35.7	178.8	-160.4	171.1	-177.5	-179.6	-4.1	111.9	P436 G437 W438 M444	P436-R440 WeakPolarHBondContact O-CB 3.27Å; P436-R440 PolarHBondContact O-N 3.24Å; G437-R440 CarbonylContact O-C 3.54Å; G437-R440 WeakPolarHBondContact O-CB 3.3Å; G437-R440 PolarHBondContact O-N 3.36Å; G437-R440 VanDerWaalsContact O-N 3.1Å; W438-R440 VanDerWaalsContact C-N 3.34Å; R440-M444 WeakPolarHBondContact O-CB 3.44Å; R440-M444 PolarHBondContact O-N 2.82Å
441	W	33.7	Very low	33.4	Very low	172 Å²	172	129 Å²	129	65%	0.652	61%	0.611	S	S	*	*	H	α-helix	trans	-70.3	-46.8	174.5	-158.4	95.7	0	0	0	112.2	G437 W438 Q443 M444 Y445	G437-W441 PolarHBondContact O-N 3.47Å; W438-W441 PolarHBondContact O-N 3.43Å; W441-Q443 VanDerWaalsContact C-N 3.3Å; W441-Q443 PolarHBondContact O-N 3.41Å; W441-M444 PolarHBondContact O-N 2.92Å; W441-Y445 HydrophobicContact CH2-CD2 4.29Å; W441-Y445 HydrophobicContact CZ3-CD2 4.23Å; W441-Y445 HydrophobicContact CZ3-CG 4.35Å; W441-Y445 VanDerWaalsContact O-CB 3.3Å; W441-Y445 WeakPolarHBondContact O-CB 3.09Å; W441-Y445 PolarHBondContact O-N 3.24Å
442	R	37.7	Very low	33.5	Very low	163 Å²	163	125.9 Å²	125.9	62%	0.615	60%	0.604	S	S	*	*	H	α-helix	trans	-61.3	-39.5	173.9	-70.8	-178.2	-171.5	-100	-0.7	111.8	W438 H446	W438-R442 WeakPolarHBondContact O-CG 3.14Å; W438-R442 PolarHBondContact O-N 2.93Å; R442-H446 WeakPolarHBondContact O-CB 3.39Å; R442-H446 PolarHBondContact O-CD2 3.23Å; R442-H446 PolarHBondContact O-N 3.36Å
443	Q	41.9	Very low	33.4	Very low	134 Å²	134	125.1 Å²	125.1	63%	0.626	60%	0.599	S	S	*	*	H	α-helix	trans	-71.7	-35.9	177.2	-168.2	164.9	6	0	0	111.9	S439 W441 E447	S439-Q443 WeakPolarHBondContact O-CB 3.4Å; S439-Q443 PolarHBondContact O-N 3.11Å; W441-Q443 VanDerWaalsContact C-N 3.3Å; W441-Q443 PolarHBondContact O-N 3.41Å; Q443-E447 WeakPolarHBondContact O-CB 3.4Å; Q443-E447 PolarHBondContact O-N 2.9Å
444	M	36.8	Very low	33.3	Very low	109 Å²	109	127.2 Å²	127.2	54%	0.537	61%	0.613	S	S	.	*	H	α-helix	trans	-72.9	-34.3	174	-167.4	172.8	81	0	0	112.2	R440 W441 E447 L448	R440-M444 WeakPolarHBondContact O-CB 3.44Å; R440-M444 PolarHBondContact O-N 2.82Å; W441-M444 PolarHBondContact O-N 2.92Å; M444-E447 PolarHBondContact O-N 2.84Å; M444-L448 HydrophobicContact CG-CD1 4.18Å; M444-L448 HydrophobicContact CG-CG 4.43Å; M444-L448 VanDerWaalsContact O-CB 3.29Å; M444-L448 WeakPolarHBondContact O-CB 3.4Å; M444-L448 VanDerWaalsContact O-CG 3.24Å; M444-L448 WeakPolarHBondContact O-CG 3.36Å; M444-L448 PolarHBondContact O-N 3.37Å
445	Y	35.4	Very low	33.2	Very low	116 Å²	116	124.3 Å²	124.3	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-64.8	-46.1	170.4	-177.4	-97	0	0	0	110.9	W441 E447 R449	W441-Y445 HydrophobicContact CH2-CD2 4.29Å; W441-Y445 HydrophobicContact CZ3-CD2 4.23Å; W441-Y445 HydrophobicContact CZ3-CG 4.35Å; W441-Y445 VanDerWaalsContact O-CB 3.3Å; W441-Y445 WeakPolarHBondContact O-CB 3.09Å; W441-Y445 PolarHBondContact O-N 3.24Å; Y445-E447 VanDerWaalsContact C-N 3.32Å; Y445-E447 PolarHBondContact O-N 3.43Å; Y445-R449 WeakPolarHBondContact O-CB 3.29Å; Y445-R449 PolarHBondContact O-N 3.37Å; Y445-R449 PolarHBondContact OH-NH1 3.14Å
446	H	41.6	Very low	32.9	Very low	115 Å²	115	131.1 Å²	131.1	53%	0.532	62%	0.618	S	S	.	*	H	α-helix	trans	-64.2	-33.4	171.3	-91.5	-73.8	0	0	0	113.2	R442 R449 R450	R442-H446 WeakPolarHBondContact O-CB 3.39Å; R442-H446 PolarHBondContact O-CD2 3.23Å; R442-H446 PolarHBondContact O-N 3.36Å; H446-R449 CarbonylContact O-C 3.22Å; H446-R449 PolarHBondContact O-N 3.39Å; H446-R450 WeakPolarHBondContact O-CB 3.46Å; H446-R450 WeakPolarHBondContact O-CG 3.1Å; H446-R450 PolarHBondContact O-N 3.49Å
447	E	38.1	Very low	32.5	Very low	55 Å²	55	131.6 Å²	131.6	26%	0.257	61%	0.613	S	S	.	*	H	α-helix	trans	-79.2	-35.9	-179.3	-168.1	69.4	178.7	0	0	111.7	Q443 M444 Y445 R449 R450 R451	Q443-E447 WeakPolarHBondContact O-CB 3.4Å; Q443-E447 PolarHBondContact O-N 2.9Å; M444-E447 PolarHBondContact O-N 2.84Å; Y445-E447 VanDerWaalsContact C-N 3.32Å; Y445-E447 PolarHBondContact O-N 3.43Å; E447-R449 VanDerWaalsContact C-N 3.31Å; E447-R450 CarbonylContact O-C 3.57Å; E447-R450 PolarHBondContact O-N 2.79Å; E447-R450 VanDerWaalsContact O-N 3.13Å; E447-R450 WeakPolarHBondContact OE2-CD 3.26Å; E447-R450 IonicContact OE2-NH1 2.68Å; E447-R451 HydrophobicContact CG-CG 4.26Å; E447-R451 VanDerWaalsContact CG-NE 3.34Å; E447-R451 VanDerWaalsContact O-CB 3.26Å; E447-R451 WeakPolarHBondContact O-CB 3.26Å; E447-R451 VanDerWaalsContact O-CG 3.27Å; E447-R451 WeakPolarHBondContact O-CG 3.31Å; E447-R451 PolarHBondContact O-N 2.93Å; E447-R451 IonicContact OE1-CZ 2.98Å; E447-R451 IonicContact OE1-NE 2.86Å; E447-R451 PolarHBondContact OE1-NE 2.84Å; E447-R451 IonicContact OE1-NH2 3.6Å; E447-R451 PolarHBondContact OE1-NH2 3.22Å
448	L	32.6	Very low	32.1	Very low	110 Å²	110	134.1 Å²	134.1	58%	0.576	62%	0.621	S	S	*	*	H	α-helix	trans	-62	-40.9	166.2	-74.5	164.6	0	0	0	110.4	M444 R450 R451 S452	M444-L448 HydrophobicContact CG-CD1 4.18Å; M444-L448 HydrophobicContact CG-CG 4.43Å; M444-L448 VanDerWaalsContact O-CB 3.29Å; M444-L448 WeakPolarHBondContact O-CB 3.4Å; M444-L448 VanDerWaalsContact O-CG 3.24Å; M444-L448 WeakPolarHBondContact O-CG 3.36Å; M444-L448 PolarHBondContact O-N 3.37Å; L448-R450 PolarHBondContact O-N 2.75Å; L448-R451 PolarHBondContact O-N 2.87Å; L448-S452 WeakPolarHBondContact O-CB 3.22Å; L448-S452 PolarHBondContact O-N 3.27Å; L448-S452 PolarHBondContact O-OG 3.3Å
449	R	35.8	Very low	31.8	Very low	170 Å²	170	134.6 Å²	134.6	64%	0.642	63%	0.628	S	S	*	*	H	α-helix	trans	-73.9	-6.8	174	-160	166.2	-177.1	152.8	-2.3	114	Y445 H446 E447	Y445-R449 WeakPolarHBondContact O-CB 3.29Å; Y445-R449 PolarHBondContact O-N 3.37Å; Y445-R449 PolarHBondContact OH-NH1 3.14Å; H446-R449 CarbonylContact O-C 3.22Å; H446-R449 PolarHBondContact O-N 3.39Å; E447-R449 VanDerWaalsContact C-N 3.31Å
450	R	32.6	Very low	31.2	Very low	165 Å²	165	138.4 Å²	138.4	62%	0.623	64%	0.636	S	S	*	*	H	α-helix	trans	-105.3	-22.6	169.3	-78.4	168.4	169.9	-176.6	-1.3	113.6	H446 E447 L448 S453	H446-R450 WeakPolarHBondContact O-CB 3.46Å; H446-R450 WeakPolarHBondContact O-CG 3.1Å; H446-R450 PolarHBondContact O-N 3.49Å; E447-R450 CarbonylContact O-C 3.57Å; E447-R450 PolarHBondContact O-N 2.79Å; E447-R450 VanDerWaalsContact O-N 3.13Å; E447-R450 WeakPolarHBondContact OE2-CD 3.26Å; E447-R450 IonicContact OE2-NH1 2.68Å; L448-R450 PolarHBondContact O-N 2.75Å; R450-S453 PolarHBondContact O-OG 3.29Å
451	R	34.6	Very low	30.6	Very low	176 Å²	176	141.2 Å²	141.2	66%	0.664	65%	0.646	S	S	*	*	H	α-helix	trans	-98.2	-16.9	-179.8	-70	-177.7	-172.1	-169.6	7.5	113	E447 L448 S453 S454	E447-R451 HydrophobicContact CG-CG 4.26Å; E447-R451 VanDerWaalsContact CG-NE 3.34Å; E447-R451 VanDerWaalsContact O-CB 3.26Å; E447-R451 WeakPolarHBondContact O-CB 3.26Å; E447-R451 VanDerWaalsContact O-CG 3.27Å; E447-R451 WeakPolarHBondContact O-CG 3.31Å; E447-R451 PolarHBondContact O-N 2.93Å; E447-R451 IonicContact OE1-CZ 2.98Å; E447-R451 IonicContact OE1-NE 2.86Å; E447-R451 PolarHBondContact OE1-NE 2.84Å; E447-R451 IonicContact OE1-NH2 3.6Å; E447-R451 PolarHBondContact OE1-NH2 3.22Å; L448-R451 PolarHBondContact O-N 2.87Å; R451-S453 PolarHBondContact O-N 2.7Å; R451-S453 VanDerWaalsContact O-N 3.15Å; R451-S454 PolarHBondContact O-N 2.78Å
452	S	26.3	Very low	30.1	Very low	94 Å²	94	138 Å²	138	66%	0.657	65%	0.65	S	S	*	*	S	Bend	trans	-57.8	-19.4	165.5	58.9	0	0	0	0	113	L448 S454	L448-S452 WeakPolarHBondContact O-CB 3.22Å; L448-S452 PolarHBondContact O-N 3.27Å; L448-S452 PolarHBondContact O-OG 3.3Å; S452-S454 VanDerWaalsContact C-N 3.29Å; S452-S454 PolarHBondContact O-N 3.32Å
453	S	24	Very low	29.6	Very low	94 Å²	94	135.1 Å²	135.1	66%	0.657	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	49.5	171.8	61.9	0	0	0	0	114	R450 R451	R450-S453 PolarHBondContact O-OG 3.29Å; R451-S453 PolarHBondContact O-N 2.7Å; R451-S453 VanDerWaalsContact O-N 3.15Å
454	S	25.4	Very low	28.8	Very low	106 Å²	106	133.1 Å²	133.1	74%	0.741	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148	29	173.3	-93.9	0	0	0	0	116.4	R451 S452	R451-S454 PolarHBondContact O-N 2.78Å; S452-S454 VanDerWaalsContact C-N 3.29Å; S452-S454 PolarHBondContact O-N 3.32Å
455	L	24.8	Very low	28.3	Very low	149 Å²	149	131.3 Å²	131.3	78%	0.78	65%	0.648	S	S	*	*			trans	-161.1	86.4	152.8	-112.2	169.3	0	0	0	111.4	I457	L455-I457 HydrophobicContact CD2-CG1 4.22Å; L455-I457 PolarHBondContact O-N 3.1Å
456	R	22.6	Very low	27.9	Very low	238 Å²	238	132.3 Å²	132.3	90%	0.898	67%	0.665	S	S	*	*			trans	-75.8	100.1	169.8	-89.2	-174.2	172.8	169.5	-2.4	109.9
457	I	23.8	Very low	27.3	Very low	116 Å²	116	130 Å²	130	60%	0.595	67%	0.673	S	S	*	*			trans	-95.7	91.5	163.8	-54.6	-179.7	0	0	0	107.5	L455 F459	L455-I457 HydrophobicContact CD2-CG1 4.22Å; L455-I457 PolarHBondContact O-N 3.1Å; I457-F459 HydrophobicContact CB-CE2 4.37Å; I457-F459 HydrophobicContact CG2-CD2 4.22Å; I457-F459 HydrophobicContact CG2-CE1 4.37Å; I457-F459 HydrophobicContact CG2-CE2 3.59Å; I457-F459 HydrophobicContact CG2-CZ 3.68Å; I457-F459 PolarHBondContact O-N 2.86Å
458	T	22.9	Very low	27	Very low	98 Å²	98	136 Å²	136	60%	0.601	70%	0.698	S	S	*	*			trans	-84.3	101.8	179.4	47.8	0	0	0	0	110.7	H460	T458-H460 PolarHBondContact O-N 2.85Å
459	F	25.4	Very low	26.8	Very low	187 Å²	187	138.6 Å²	138.6	82%	0.82	71%	0.71	S	S	*	*			trans	-73.5	103.4	169.3	-66	-82.2	0	0	0	109.8	I457 R461	I457-F459 HydrophobicContact CB-CE2 4.37Å; I457-F459 HydrophobicContact CG2-CD2 4.22Å; I457-F459 HydrophobicContact CG2-CE1 4.37Å; I457-F459 HydrophobicContact CG2-CE2 3.59Å; I457-F459 HydrophobicContact CG2-CZ 3.68Å; I457-F459 PolarHBondContact O-N 2.86Å; F459-R461 PolarHBondContact O-N 2.91Å
460	H	24.4	Very low	26.4	Very low	163 Å²	163	133.7 Å²	133.7	76%	0.755	71%	0.712	S	S	*	*			trans	-76.6	122.1	176.1	-101.3	-90.8	0	0	0	110.8	T458	T458-H460 PolarHBondContact O-N 2.85Å
461	R	22.8	Very low	26.3	Very low	236 Å²	236	131 Å²	131	89%	0.891	72%	0.718	S	S	*	*			trans	-66.3	134.6	161.2	-139.9	179.1	-165.7	-179.1	4.3	108.2	F459 S463	F459-R461 PolarHBondContact O-N 2.91Å; R461-S463 PolarHBondContact O-N 3.33Å
462	S	22.9	Very low	26	Very low	103 Å²	103	132.5 Å²	132.5	72%	0.72	73%	0.729	S	S	*	*			trans	-78.6	111.9	-176.9	32.2	0	0	0	0	111.7	H615	S462-H615 VanDerWaalsContact CA-NE2 3.33Å; S462-H615 WeakPolarHBondContact CA-NE2 3.42Å; S462-H615 VanDerWaalsContact CB-CE1 3.47Å; S462-H615 WeakPolarHBondContact CB-CE1 3.48Å
463	S	26.9	Very low	26	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	73%	0.73	S	S	*	*			trans	-140.3	138.7	166.3	63	0	0	0	0	110.4	R461 H615	R461-S463 PolarHBondContact O-N 3.33Å; S463-H615 PolarHBondContact N-CE1 3.11Å; S463-H615 VanDerWaalsContact N-CE1 3.32Å; S463-H615 PolarHBondContact N-NE2 3.13Å; S463-H615 VanDerWaalsContact N-NE2 3.12Å; S463-H615 PolarHBondContact O-NE2 3.49Å; S463-H615 VanDerWaalsContact O-NE2 3.15Å
464	S	25	Very low	26.2	Very low	92 Å²	92	133 Å²	133	64%	0.643	74%	0.738	S	S	*	*			trans	-87.6	134.1	-151.1	55	0	0	0	0	116.8
465	L	26.3	Very low	26.2	Very low	71 Å²	71	135.7 Å²	135.7	37%	0.372	74%	0.739	S	S	.	*			trans	74.4	156.5	138.9	-71.7	162.2	0	0	0	120.8	Y617	L465-Y617 HydrophobicContact CD1-CD1 4.41Å; L465-Y617 HydrophobicContact CD1-CD2 3.85Å; L465-Y617 HydrophobicContact CD1-CE1 3.98Å; L465-Y617 HydrophobicContact CD1-CE2 3.37Å; L465-Y617 HydrophobicContact CD1-CG 4.35Å; L465-Y617 VanDerWaalsContact CD1-CZ 3.44Å; L465-Y617 HydrophobicContact CD2-CD2 4.03Å; L465-Y617 HydrophobicContact CD2-CE2 3.65Å; L465-Y617 HydrophobicContact CG-CE2 4.14Å
466	V	28.1	Very low	26.4	Very low	137 Å²	137	133 Å²	133	83%	0.83	73%	0.732	S	S	*	*			trans	67.3	127.4	-179.9	-165.9	0	0	0	0	113.3
467	G	28.1	Very low	26.8	Very low	67 Å²	67	127.3 Å²	127.3	69%	0.691	72%	0.716	S	S	*	*			cis	115.4	132.4	12.6	0	0	0	0	0	110.4
468	K	30.8	Very low	27.1	Very low	181 Å²	181	130.6 Å²	130.6	79%	0.787	73%	0.726	S	S	*	*			cis	-168.5	136.5	3	-151.9	-175.5	-172.1	176.4	0	109.6
469	M	28.5	Very low	27.4	Very low	165 Å²	165	130.2 Å²	130.2	81%	0.813	73%	0.727	S	S	*	*			trans	62.4	161.6	169.3	-40.7	-156.5	-164.9	0	0	116.7
470	G	28.5	Very low	27.6	Very low	67 Å²	67	129.3 Å²	129.3	69%	0.691	73%	0.725	S	S	*	*			cis	105.6	138.5	5.5	0	0	0	0	0	112.5
471	S	29.5	Very low	27.7	Very low	108 Å²	108	129.3 Å²	129.3	76%	0.755	72%	0.723	S	S	*	*			cis	-165.6	163.6	0.4	-50	0	0	0	0	111
472	K	28.2	Very low	27.8	Very low	207 Å²	207	124.1 Å²	124.1	90%	0.9	71%	0.711	S	S	*	*			trans	67.3	158.4	158.8	-68.3	170.5	-176.9	178.5	0	116.1
473	A	26.9	Very low	28	Very low	80 Å²	80	129.7 Å²	129.7	66%	0.661	72%	0.717	S	S	*	*			cis	-160.8	177.5	-16.6	0	0	0	0	0	109.6
474	S	28.1	Very low	27.9	Very low	119 Å²	119	130.9 Å²	130.9	83%	0.832	72%	0.72	S	S	*	*			trans	61.1	161.5	166.4	50.4	0	0	0	0	118.6
475	E	26.2	Very low	28	Very low	162 Å²	162	134.3 Å²	134.3	76%	0.757	73%	0.729	S	S	*	*			cis	-161.3	144.5	-39.9	179.8	155.6	-149.3	0	0	109.5
476	S	28.3	Very low	28.1	Very low	92 Å²	92	133.5 Å²	133.5	64%	0.643	74%	0.738	S	S	*	*			trans	64.2	136.3	164.4	68.4	0	0	0	0	121
477	H	31.9	Very low	28	Very low	120 Å²	120	133.7 Å²	133.7	56%	0.556	74%	0.735	S	S	*	*			trans	6.6	150.5	138	-65.2	-89.1	0	0	0	119.6	R412	R412-H477 WeakPolarHBondContact CD-NE2 3.48Å; R412-H477 PolarHBondContact NH1-CD2 3.41Å; R412-H477 PolarHBondContact NH1-NE2 3.1Å
478	K	29.8	Very low	27.8	Very low	184 Å²	184	139.3 Å²	139.3	80%	0.8	74%	0.74	S	S	*	*			cis	-167.8	161.1	45.6	-150.5	168.4	-172.6	-177.9	0	113.9
479	S	27.9	Very low	27.5	Very low	90 Å²	90	134.3 Å²	134.3	63%	0.629	73%	0.728	S	S	*	*			trans	61.7	109.2	150.3	40.8	0	0	0	0	121.2
480	H	30	Very low	27.3	Very low	169 Å²	169	136.2 Å²	136.2	78%	0.782	73%	0.726	S	S	*	*				79.5	123.5	120	-76.1	-42.4	0	0	0	123.2
481	K	27.2	Very low	27.2	Very low	162 Å²	162	143.4 Å²	143.4	70%	0.704	73%	0.732	S	S	*	*				88.2	107.2	124.1	-80.5	-173.1	166.7	-174.5	0	120.2
482	I	25.5	Very low	27	Very low	127 Å²	127	142.4 Å²	142.4	65%	0.651	73%	0.726	S	S	*	*				84.5	140.9	117.7	-71.6	173.5	0	0	0	118.2
483	R	26.4	Very low	26.8	Very low	220 Å²	220	136.6 Å²	136.6	83%	0.83	71%	0.711	S	S	*	*			trans	69.6	94.3	166	-81	159.9	-168.4	176.7	0.6	117.7
484	T	24.7	Very low	26.7	Very low	129 Å²	129	140.2 Å²	140.2	79%	0.791	72%	0.718	S	S	*	*				-0.4	116.3	113.5	52.2	0	0	0	0	116.4
485	I	27.9	Very low	26.5	Very low	163 Å²	163	139.8 Å²	139.8	84%	0.836	72%	0.716	S	S	*	*			trans	-157.7	134.4	135	-93.4	144.6	0	0	0	101.7
486	G	26.9	Very low	26.5	Very low	54 Å²	54	136.7 Å²	136.7	56%	0.557	71%	0.712	S	S	*	*				61.8	132	84.6	0	0	0	0	0	110.9
487	D	25.8	Very low	26.3	Very low	142 Å²	142	140.5 Å²	140.5	76%	0.759	72%	0.724	S	S	*	*			cis	-166.5	161.5	-2.7	-121	-45.1	0	0	0	108.5
488	F	25.1	Very low	26	Very low	184 Å²	184	138 Å²	138	81%	0.807	73%	0.73	S	S	*	*			trans	62.3	178.4	158.5	-80.3	-133.6	0	0	0	116.1
489	S	24.6	Very low	25.8	Very low	76 Å²	76	136.8 Å²	136.8	53%	0.531	73%	0.731	S	S	.	*			cis	-172.4	146.4	-46.7	-171.7	0	0	0	0	107.5
490	R	24.9	Very low	25.6	Very low	206 Å²	206	137.3 Å²	137.3	78%	0.777	74%	0.735	S	S	*	*			trans	67.5	160.6	168.9	-58.1	144.4	-170.7	-133.4	1.2	113.5
491	R	24.9	Very low	25.6	Very low	217 Å²	217	136.8 Å²	136.8	82%	0.819	74%	0.737	S	S	*	*			cis	-149.5	-173	-13.4	-127.4	174.3	-174.1	-163.4	-0.5	110.3
492	S	24.9	Very low	25.8	Very low	88 Å²	88	134.1 Å²	134.1	62%	0.615	74%	0.736	S	S	*	*			trans	-33.6	165.9	151.5	62.8	0	0	0	0	114.5
493	S	24.6	Very low	25.8	Very low	85 Å²	85	135.2 Å²	135.2	59%	0.594	74%	0.736	S	S	*	*			cis	-170.4	163.3	34.8	-21.1	0	0	0	0	112.6
494	L	25	Very low	25.8	Very low	155 Å²	155	135.2 Å²	135.2	81%	0.812	74%	0.736	S	S	*	*			trans	56	148.8	138.7	-66.2	163.4	0	0	0	121.1
495	S	25	Very low	26	Very low	111 Å²	111	132.3 Å²	132.3	78%	0.776	73%	0.732	S	S	*	*			trans	65.8	154.7	145	56.8	0	0	0	0	119.1
496	S	25.3	Very low	26	Very low	97 Å²	97	135.9 Å²	135.9	68%	0.678	74%	0.735	S	S	*	*			cis	-168.7	171	-25	54.3	0	0	0	0	109.2
497	L	24.9	Very low	26.1	Very low	171 Å²	171	136.5 Å²	136.5	90%	0.895	74%	0.741	S	S	*	*			trans	26.8	120.1	143	-61.4	165.8	0	0	0	119.7
498	G	25.2	Very low	26.2	Very low	67 Å²	67	136.2 Å²	136.2	69%	0.691	74%	0.744	S	S	*	*			trans	154.5	99.2	163.7	0	0	0	0	0	111.8
499	I	24.4	Very low	26.3	Very low	159 Å²	159	131.7 Å²	131.7	82%	0.815	74%	0.735	S	S	*	*				84	133.4	66.9	-67.4	168.6	0	0	0	112.8
500	S	24.1	Very low	26.5	Very low	101 Å²	101	139 Å²	139	71%	0.706	75%	0.751	S	S	*	*			trans	63.1	125.6	175.4	54.5	0	0	0	0	116.9
501	L	29.6	Very low	26.6	Very low	159 Å²	159	133.4 Å²	133.4	83%	0.832	74%	0.744	S	S	*	*				59.3	135.5	60.3	-70.1	169.1	0	0	0	112.4
502	P	31.1	Very low	27	Very low	105 Å²	105	132.3 Å²	132.3	68%	0.682	74%	0.74	S	S	*	*			cis	-151.7	165	48.6	41.8	-21.5	0	0	0	120.1
503	K	27.5	Very low	27.3	Very low	151 Å²	151	135.8 Å²	135.8	66%	0.657	74%	0.739	S	S	*	*			trans	56.9	123.1	137.3	-69.6	172.2	-171.2	175.7	0	123.2
504	W	24.9	Very low	27.6	Very low	220 Å²	220	140.6 Å²	140.6	83%	0.833	74%	0.744	S	S	*	*			trans	72.7	137.5	130.9	-56.4	-11.5	0	0	0	120.1
505	G	28.8	Very low	27.8	Very low	68 Å²	68	137.9 Å²	137.9	70%	0.701	73%	0.734	S	S	*	*			cis	155.5	-174	-12	0	0	0	0	0	116
506	R	28.1	Very low	28.1	Very low	238 Å²	238	137.1 Å²	137.1	90%	0.898	73%	0.729	S	S	*	*			trans	76.5	149.7	170.2	-49.2	-177.9	-167.1	-102.7	2	117.6
507	G	29.2	Very low	28.2	Very low	66 Å²	66	139.3 Å²	139.3	68%	0.68	73%	0.729	S	S	*	*			trans	114.9	60.7	175	0	0	0	0	0	115.1
508	V	28	Very low	28.5	Very low	137 Å²	137	138.9 Å²	138.9	83%	0.83	72%	0.72	S	S	*	*				62.7	117.8	83.4	177.2	0	0	0	0	112.1
509	S	27.3	Very low	28.6	Very low	88 Å²	88	141.2 Å²	141.2	62%	0.615	72%	0.721	S	S	*	*			cis	-169.6	157.7	1.8	-120.5	0	0	0	0	114.6
510	R	28.4	Very low	28.7	Very low	230 Å²	230	138.8 Å²	138.8	87%	0.868	71%	0.713	S	S	*	*			trans	66.1	150.6	150.3	-67.4	169.7	179.6	-176.2	-1.8	117.5
511	S	28.2	Very low	28.8	Very low	89 Å²	89	141.7 Å²	141.7	62%	0.622	72%	0.715	S	S	*	*			cis	-157.5	129.1	-8.5	-114.5	0	0	0	0	107.6
512	R	32.3	Very low	28.6	Very low	194 Å²	194	139.6 Å²	139.6	73%	0.732	71%	0.709	S	S	*	*				73.4	148.3	88.3	-79.1	-175.3	163.2	-174.4	0.1	114
513	R	31	Very low	28.8	Very low	160 Å²	160	139.6 Å²	139.6	60%	0.604	71%	0.709	S	S	*	*			cis	-158.5	140	15.7	-126.7	175	174.3	-177.4	-4	108.8
514	R	31.3	Very low	28.8	Very low	186 Å²	186	140.2 Å²	140.2	70%	0.702	72%	0.719	S	S	*	*				75.9	156	100.2	-98.3	-162.9	-174.2	-175.3	-6	116.1
515	T	29.9	Very low	29.3	Very low	98 Å²	98	134.6 Å²	134.6	60%	0.601	71%	0.711	S	S	*	*			cis	-152.9	178.5	-4.4	-13.2	0	0	0	0	110.1
516	S	29.7	Very low	29.2	Very low	95 Å²	95	139 Å²	139	66%	0.664	71%	0.713	S	S	*	*			trans	69.3	142.4	138	54.3	0	0	0	0	119.8
517	E	28.7	Very low	29.1	Very low	143 Å²	143	132.4 Å²	132.4	67%	0.668	70%	0.695	S	S	*	*			cis	-175.8	159.9	-25.9	-127.4	-174.4	129.4	0	0	107.1
518	K	30.9	Very low	29	Very low	163 Å²	163	136.8 Å²	136.8	71%	0.709	70%	0.696	S	S	*	*			trans	66.3	155.5	149	-77.9	173.6	173.9	120.9	0	118
519	T	26.9	Very low	29.1	Very low	116 Å²	116	136.6 Å²	136.6	71%	0.712	69%	0.686	S	S	*	*			cis	179.6	153.4	-27.5	-107.3	0	0	0	0	107.6
520	V	27.1	Very low	29.2	Very low	108 Å²	108	139.2 Å²	139.2	66%	0.655	69%	0.688	S	S	*	*			trans	80.3	113.3	155.3	143.7	0	0	0	0	119.7
521	E	26.5	Very low	29.3	Very low	161 Å²	161	133.9 Å²	133.9	75%	0.752	68%	0.677	S	S	*	*				85.5	115.4	123	-72.4	176.6	-152.9	0	0	124.3
522	T	25.7	Very low	29.4	Very low	116 Å²	116	136.8 Å²	136.8	71%	0.712	68%	0.682	S	S	*	*				94.2	127.1	118.6	-63.2	0	0	0	0	117.7
523	P	35.2	Very low	29.6	Very low	105 Å²	105	132.2 Å²	132.2	68%	0.682	68%	0.68	S	S	*	*			trans	-94.6	167.5	-178.9	39.3	-36.5	0	0	0	112.6
524	L	25.9	Very low	29.6	Very low	164 Å²	164	130.5 Å²	130.5	86%	0.859	68%	0.683	S	S	*	*				177.5	169.4	127.4	-92.1	166.7	0	0	0	109.1
525	P	36	Very low	29.5	Very low	102 Å²	102	128.2 Å²	128.2	66%	0.662	68%	0.683	S	S	*	*			trans	-97.5	-148.4	-162.5	42	-39.6	0	0	0	112.9
526	H	26.7	Very low	29.6	Very low	161 Å²	161	127.8 Å²	127.8	75%	0.745	68%	0.684	S	S	*	*			trans	81.3	143	-163.3	-60.5	-71.2	0	0	0	112.8
527	D	26.3	Very low	29.6	Very low	98 Å²	98	129.5 Å²	129.5	52%	0.524	69%	0.685	S	S	.	*			cis	-166.7	154.2	-8.7	-119.5	6.4	0	0	0	109.5
528	K	27.5	Very low	29.6	Very low	159 Å²	159	130.5 Å²	130.5	69%	0.691	70%	0.695	S	S	*	*			trans	63.8	163.2	148.5	-65.1	162	177.4	136.1	0	116.5
529	Q	29.1	Very low	29.6	Very low	132 Å²	132	128.6 Å²	128.6	62%	0.617	69%	0.691	S	S	*	*			cis	-153.6	151.1	-18.7	-120.3	162.5	-86.5	0	0	107
530	E	29.2	Very low	29.8	Very low	143 Å²	143	128.9 Å²	128.9	67%	0.668	69%	0.693	S	S	*	*			trans	65.5	159.1	147.8	-70.2	167.7	-152.4	0	0	117.5
531	N	31	Very low	30	Very low	119 Å²	119	130.6 Å²	130.6	64%	0.636	69%	0.694	S	S	*	*			cis	-159.2	159.3	-10	-114.7	-22.1	0	0	0	106.7
532	M	30.7	Very low	30.2	Very low	149 Å²	149	130.8 Å²	130.8	73%	0.734	70%	0.695	S	S	*	*			cis	-161.4	164.1	-7.1	-159	172.3	-176.8	0	0	107.9
533	S	36.5	Very low	30.5	Very low	98 Å²	98	133.6 Å²	133.6	69%	0.685	70%	0.699	S	S	*	*			trans	69.3	135.7	156.4	68.5	0	0	0	0	121.2
534	D	30.6	Very low	30.2	Very low	125 Å²	125	133.8 Å²	133.8	67%	0.668	70%	0.703	S	S	*	*			cis	-166.9	150.7	-28.4	-115.7	-24.5	0	0	0	113.1
535	I	30.1	Very low	30.2	Very low	138 Å²	138	131.7 Å²	131.7	71%	0.708	70%	0.697	S	S	*	*			trans	50.1	132	136.3	-70.4	166.4	0	0	0	119
536	S	31.1	Very low	29.9	Very low	88 Å²	88	132.4 Å²	132.4	62%	0.615	70%	0.7	S	S	*	*			cis	-179	169.4	4.9	-98	0	0	0	0	109.5
537	L	30.6	Very low	29.8	Very low	132 Å²	132	129.4 Å²	129.4	69%	0.691	70%	0.697	S	S	*	*			cis	-157.9	158.3	-7	-118.3	159.7	0	0	0	110.4	I539	L537-I539 HydrophobicContact CD2-CD1 3.38Å; L537-I539 HydrophobicContact CD2-CG1 3.57Å
538	N	28.4	Very low	29.9	Very low	164 Å²	164	130.6 Å²	130.6	88%	0.877	70%	0.704	S	S	*	*			trans	-156.9	109.2	173	-150.1	8.3	0	0	0	110.1
539	I	30.2	Very low	29.9	Very low	122 Å²	122	131.8 Å²	131.8	63%	0.626	71%	0.709	S	S	*	*			trans	-150.3	138.6	-178.7	-52.2	178.1	0	0	0	105.8	L537	L537-I539 HydrophobicContact CD2-CD1 3.38Å; L537-I539 HydrophobicContact CD2-CG1 3.57Å
540	V	31.9	Very low	30	Very low	122 Å²	122	131 Å²	131	74%	0.739	72%	0.718	S	S	*	*				-152.3	127	60.6	173.8	0	0	0	0	107.7
541	Q	31.3	Very low	30	Very low	145 Å²	145	131.7 Å²	131.7	68%	0.678	72%	0.721	S	S	*	*				67.7	144	82.7	-122.6	179	-72.8	0	0	112.9
542	E	30.3	Very low	29.8	Very low	164 Å²	164	132.8 Å²	132.8	77%	0.766	73%	0.727	S	S	*	*			cis	-138	-169.5	25.1	-53.2	-156.2	103	0	0	115.7
543	H	31.5	Very low	29.7	Very low	175 Å²	175	128.9 Å²	128.9	81%	0.81	73%	0.725	S	S	*	*			trans	-119	-175.6	-168.5	-77.5	-97.1	0	0	0	114.1
544	S	30.4	Very low	29.3	Very low	109 Å²	109	134.3 Å²	134.3	76%	0.762	74%	0.736	S	S	*	*			trans	98.2	146.3	151.2	89	0	0	0	0	117.6
545	T	25.3	Very low	29.2	Very low	120 Å²	120	133.6 Å²	133.6	74%	0.736	74%	0.741	S	S	*	*			cis	-163.5	173.8	-37.7	8.9	0	0	0	0	111.4
546	T	28.7	Very low	29.5	Very low	118 Å²	118	132.2 Å²	132.2	72%	0.724	74%	0.741	S	S	*	*			trans	66.9	94	149.5	43.9	0	0	0	0	122.5
547	S	25.6	Very low	29.4	Very low	97 Å²	97	133.7 Å²	133.7	68%	0.678	75%	0.746	S	S	*	*				73.3	152.3	108	79.3	0	0	0	0	124.7
548	N	28.4	Very low	29.2	Very low	124 Å²	124	132.3 Å²	132.3	66%	0.663	75%	0.747	S	S	*	*			trans	90	89.4	154.4	-70.8	-46.8	0	0	0	122.7
549	K	27	Very low	29.3	Very low	184 Å²	184	136 Å²	136	80%	0.8	75%	0.749	S	S	*	*				69.8	153.4	117.6	-73.4	178.3	178	175.9	0	121.8
550	S	30.3	Very low	29.1	Very low	115 Å²	115	136.4 Å²	136.4	80%	0.804	76%	0.757	S	S	*	*			trans	68.9	152.8	166.7	70.8	0	0	0	0	116.6
551	Q	29.3	Very low	29	Very low	157 Å²	157	137.2 Å²	137.2	73%	0.734	76%	0.762	S	S	*	*			cis	-164.1	162.8	-42.2	-139	-175	-83.4	0	0	108.6
552	D	28.3	Very low	28.8	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	77%	0.767	S	S	*	*			trans	63.1	167.6	163.3	-51.7	-21.9	0	0	0	118.3
553	G	28.1	Very low	28.5	Very low	67 Å²	67	136.5 Å²	136.5	69%	0.691	77%	0.769	S	S	*	*			trans	119	44.2	158.4	0	0	0	0	0	121.4
554	F	29	Very low	28.4	Very low	212 Å²	212	134.7 Å²	134.7	93%	0.93	77%	0.765	S	S	*	*			trans	43.9	123.5	151	-72.6	-89	0	0	0	122.5
555	S	28.4	Very low	28.1	Very low	109 Å²	109	134.9 Å²	134.9	76%	0.762	77%	0.765	S	S	*	*			trans	-70.8	-177.4	155.8	-139.9	0	0	0	0	111.5
556	P	36	Very low	28.2	Very low	110 Å²	110	134.6 Å²	134.6	71%	0.714	77%	0.765	S	S	*	*			cis	-144.4	-154.3	6	35.1	-9.3	0	0	0	116.1
557	V	27.8	Very low	28.2	Very low	119 Å²	119	138.1 Å²	138.1	72%	0.721	77%	0.771	S	S	*	*			trans	104.7	69.4	157.2	-163.5	0	0	0	0	118.5
558	S	27.9	Very low	28.3	Very low	102 Å²	102	142.3 Å²	142.3	71%	0.713	78%	0.779	S	S	*	*				40	130.2	125.1	67.1	0	0	0	0	122.6
559	R	28.9	Very low	28.3	Very low	243 Å²	243	141.2 Å²	141.2	92%	0.917	78%	0.777	S	S	*	*				-146.3	98.6	123	-167.2	172.3	-64.4	-157.5	0.8	111.2
560	V	27.5	Very low	28.2	Very low	130 Å²	130	135.6 Å²	135.6	79%	0.788	76%	0.76	S	S	*	*			trans	-132	113.8	176.8	177.1	0	0	0	0	109.9
561	T	28.4	Very low	28.1	Very low	138 Å²	138	138 Å²	138	85%	0.847	76%	0.759	S	S	*	*			trans	-152.6	82.6	153.9	48.7	0	0	0	0	108.3
562	K	27.1	Very low	28.1	Very low	180 Å²	180	136.8 Å²	136.8	78%	0.783	75%	0.751	S	S	*	*			trans	-70.7	131.8	149	-81.1	-174.9	175.5	-179.3	0	106.4	D564	K562-D564 VanDerWaalsContact C-N 3.29Å; K562-D564 PolarHBondContact O-N 3.23Å; K562-D564 VanDerWaalsContact O-N 3.14Å
563	S	25.6	Very low	28.1	Very low	114 Å²	114	138 Å²	138	80%	0.797	76%	0.756	S	S	*	*			trans	-83.4	77	172.4	53.9	0	0	0	0	109.2	C565	S563-C565 PolarHBondContact O-N 3.48Å; S563-C565 VanDerWaalsContact O-N 3.15Å
564	D	28	Very low	28.2	Very low	138 Å²	138	138.8 Å²	138.8	74%	0.738	74%	0.743	S	S	*	*			trans	-68.6	107.5	171	-65.8	-41.1	0	0	0	108.5	K562	K562-D564 VanDerWaalsContact C-N 3.29Å; K562-D564 PolarHBondContact O-N 3.23Å; K562-D564 VanDerWaalsContact O-N 3.14Å
565	C	24.5	Very low	28.1	Very low	112 Å²	112	132 Å²	132	76%	0.757	72%	0.72	S	S	*	*			trans	-60.7	140	177.3	-69.6	0	0	0	0	110.7	S563 K567	S563-C565 PolarHBondContact O-N 3.48Å; S563-C565 VanDerWaalsContact O-N 3.15Å; C565-K567 PolarHBondContact O-N 3.19Å
566	P	27.2	Very low	28.1	Very low	114 Å²	114	133.3 Å²	133.3	74%	0.74	72%	0.718	S	S	*	*			trans	-66.5	123.2	175.3	28.5	-33.2	0	0	0	109.6	E568	P566-E568 PolarHBondContact O-N 3.29Å; P566-E568 VanDerWaalsContact O-N 3.16Å
567	K	28.4	Very low	27.9	Very low	193 Å²	193	137.3 Å²	137.3	84%	0.839	72%	0.718	S	S	*	*			trans	-67.3	109.8	162.7	-71.2	-172	174.4	-170.8	0	108	C565 T569	C565-K567 PolarHBondContact O-N 3.19Å; K567-T569 PolarHBondContact O-N 2.7Å
568	E	28.2	Very low	28.1	Very low	185 Å²	185	138.3 Å²	138.3	86%	0.864	71%	0.709	S	S	*	*			trans	-65.8	127.4	173.2	-59.8	-161.4	142.8	0	0	109.4	P566	P566-E568 PolarHBondContact O-N 3.29Å; P566-E568 VanDerWaalsContact O-N 3.16Å
569	T	27.5	Very low	28.4	Very low	101 Å²	101	135.9 Å²	135.9	62%	0.62	69%	0.688	S	S	*	*			trans	-98.3	128.8	-176.1	46	0	0	0	0	110	K567 H571	K567-T569 PolarHBondContact O-N 2.7Å; T569-H571 PolarHBondContact O-N 2.76Å; T569-H571 VanDerWaalsContact O-N 3.14Å
570	C	25.5	Very low	28.4	Very low	65 Å²	65	128.2 Å²	128.2	44%	0.439	66%	0.664	S	S	.	*			trans	-64.3	115.9	-177.9	-60.7	0	0	0	0	111.4	F572	C570-F572 HydrophobicContact CB-CD2 4.06Å; C570-F572 HydrophobicContact CB-CE2 3.71Å
571	H	27.7	Very low	28.6	Very low	167 Å²	167	124.5 Å²	124.5	77%	0.773	64%	0.644	S	S	*	*			trans	-93.5	110.9	177.2	-67.7	-27.8	0	0	0	111.4	T569	T569-H571 PolarHBondContact O-N 2.76Å; T569-H571 VanDerWaalsContact O-N 3.14Å
572	F	29.4	Very low	28.8	Very low	130 Å²	130	127.9 Å²	127.9	57%	0.57	64%	0.641	S	S	*	*			trans	-121.4	143	176.6	-72.2	-72.6	0	0	0	112.6	C570 M699	C570-F572 HydrophobicContact CB-CD2 4.06Å; C570-F572 HydrophobicContact CB-CE2 3.71Å; F572-M699 WeakPolarHBondContact CE1-O 3.16Å
573	I	28.2	Very low	29.3	Very low	169 Å²	169	125.1 Å²	125.1	87%	0.867	64%	0.635	S	S	*	*			trans	-108.4	106.4	172.9	-59.7	175.9	0	0	0	108.2
574	M	30.4	Very low	29.6	Very low	84 Å²	84	124.8 Å²	124.8	41%	0.414	62%	0.617	S	S	.	*			trans	-92.8	126.6	177	-83.7	-159.7	70.8	0	0	112.8	L576 R578 L579 L656	M574-L576 PolarHBondContact O-N 2.77Å; M574-R578 HydrophobicContact CE-CB 3.71Å; M574-L579 HydrophobicContact CE-CD2 3.42Å; M574-L579 VanDerWaalsContact CE-CD2 3.42Å; M574-L579 HydrophobicContact CE-CG 4.09Å; M574-L579 HydrophobicContact SD-CD2 3.93Å; M574-L656 HydrophobicContact CE-CD1 3.82Å; M574-L656 HydrophobicContact SD-CD1 3.74Å
575	P	28	Very low	29.8	Very low	70 Å²	70	125.5 Å²	125.5	46%	0.455	61%	0.614	S	S	.	*			trans	-68.1	123.9	165.7	-18.3	32.1	0	0	0	110.9	R577 R578	P575-R577 PolarHBondContact O-N 3.07Å; P575-R578 PolarHBondContact O-N 3.4Å
576	L	28.3	Very low	30.2	Very low	136 Å²	136	127.5 Å²	127.5	71%	0.712	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-46.8	-27.4	178.9	-71.3	166.2	0	0	0	114.7	M574 R578 L579	M574-L576 PolarHBondContact O-N 2.77Å; L576-R578 PolarHBondContact O-N 2.68Å; L576-L579 HydrophobicContact CD2-CD1 4.43Å; L576-L579 PolarHBondContact O-N 3.08Å; L576-L579 VanDerWaalsContact O-N 3.1Å
577	R	31.2	Very low	30.5	Very low	194 Å²	194	125.3 Å²	125.3	73%	0.732	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-62.5	-7.8	176.3	-121.7	-174	-169.2	-172.7	2	115	P575	P575-R577 PolarHBondContact O-N 3.07Å
578	R	32	Very low	30.8	Very low	139 Å²	139	125.7 Å²	125.7	53%	0.525	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-103	-0.8	175.3	-71.8	-177.6	172.1	140.3	-5	114.1	M574 P575 L576 M699	M574-R578 HydrophobicContact CE-CB 3.71Å; P575-R578 PolarHBondContact O-N 3.4Å; L576-R578 PolarHBondContact O-N 2.68Å; R578-M699 PolarHBondContact NH1-SD 2.78Å
579	L	33.9	Very low	31.2	Very low	52 Å²	52	117.8 Å²	117.8	27%	0.272	57%	0.566	S	S	.	*	S	Bend	trans	-106.9	0.7	-175.9	-60.4	-178.7	0	0	0	114	M574 L576 L656 L667	M574-L579 HydrophobicContact CE-CD2 3.42Å; M574-L579 VanDerWaalsContact CE-CD2 3.42Å; M574-L579 HydrophobicContact CE-CG 4.09Å; M574-L579 HydrophobicContact SD-CD2 3.93Å; L576-L579 HydrophobicContact CD2-CD1 4.43Å; L576-L579 PolarHBondContact O-N 3.08Å; L576-L579 VanDerWaalsContact O-N 3.1Å; L579-L656 HydrophobicContact CD2-CD1 3.62Å; L579-L667 HydrophobicContact CB-CD1 4.47Å; L579-L667 HydrophobicContact CD1-CD1 3.81Å; L579-L667 HydrophobicContact CD2-CD1 3.51Å; L579-L667 HydrophobicContact CG-CD1 4.12Å
580	I	28.6	Very low	31.4	Very low	81 Å²	81	117.5 Å²	117.5	42%	0.415	56%	0.56	S	S	.	*	S	Bend	trans	-130.5	123.1	-173.4	-54.3	174.4	0	0	0	107.4	Y584 F585	I580-Y584 HydrophobicContact CG2-CD1 4.16Å; I580-Y584 HydrophobicContact CG2-CG 4.42Å; I580-F585 HydrophobicContact CG2-CE2 4.1Å
581	S	32.8	Very low	31.8	Very low	53 Å²	53	124.5 Å²	124.5	37%	0.371	58%	0.577	S	S	.	*			trans	-58.4	144.9	178	-175.9	0	0	0	0	111.2	D583 Y584	S581-D583 PolarHBondContact O-N 3.07Å; S581-D583 PolarHBondContact OG-OD2 3.48Å; S581-Y584 WeakPolarHBondContact O-CB 3.28Å; S581-Y584 PolarHBondContact O-N 3.01Å
582	R	32.7	Very low	32.2	Very low	209 Å²	209	120.4 Å²	120.4	79%	0.789	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-61.3	-24.6	179.8	-161	170.7	-175.2	163.3	0.2	112.3
583	D	36.3	Very low	32.4	Very low	121 Å²	121	121 Å²	121	65%	0.647	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-75.2	-28.5	-179.1	-49.4	-57.2	0	0	0	112.7	S581 F585 H586	S581-D583 PolarHBondContact O-N 3.07Å; S581-D583 PolarHBondContact OG-OD2 3.48Å; D583-F585 PolarHBondContact O-N 2.85Å; D583-H586 PolarHBondContact O-N 3.03Å
584	Y	32.9	Very low	32.6	Very low	108 Å²	108	119.6 Å²	119.6	42%	0.424	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-63	-19.3	-177.5	-158.6	-108.4	0	0	0	113.1	I580 S581 I651	I580-Y584 HydrophobicContact CG2-CD1 4.16Å; I580-Y584 HydrophobicContact CG2-CG 4.42Å; S581-Y584 WeakPolarHBondContact O-CB 3.28Å; S581-Y584 PolarHBondContact O-N 3.01Å; Y584-I651 HydrophobicContact CD2-CG1 4.21Å; Y584-I651 HydrophobicContact CE1-CD1 4.45Å; Y584-I651 HydrophobicContact CE1-CG1 4.37Å; Y584-I651 HydrophobicContact CE2-CD1 4.36Å; Y584-I651 HydrophobicContact CE2-CG1 3.51Å
585	F	32.2	Very low	32.7	Very low	153 Å²	153	126 Å²	126	67%	0.671	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-87.1	-2.2	176.8	-85.3	-83.7	0	0	0	115.1	I580 D583	I580-F585 HydrophobicContact CG2-CE2 4.1Å; D583-F585 PolarHBondContact O-N 2.85Å
586	H	33.8	Very low	32.9	Very low	153 Å²	153	127.2 Å²	127.2	71%	0.708	59%	0.589	S	S	*	*			trans	-92.6	-6	-177.1	-87.4	-72.8	0	0	0	115.6	D583 K588	D583-H586 PolarHBondContact O-N 3.03Å; H586-K588 PolarHBondContact O-N 3.19Å
587	S	32.2	Very low	32.9	Very low	68 Å²	68	125.6 Å²	125.6	48%	0.476	59%	0.589	S	S	.	*			trans	-67.2	117.4	171.8	-178.4	0	0	0	0	111.8	S589	S587-S589 VanDerWaalsContact C-N 3.31Å; S587-S589 PolarHBondContact O-N 2.74Å; S587-S589 PolarHBondContact OG-OG 3.08Å
588	K	35.6	Very low	32.8	Very low	201 Å²	201	124 Å²	124	87%	0.874	60%	0.595	S	S	*	*	S	Bend	trans	-78.9	-6.2	-175.5	-68.5	178.6	-179	171.1	0	114.5	H586	H586-K588 PolarHBondContact O-N 3.19Å
589	S	36	Very low	32.7	Very low	20 Å²	20	128.5 Å²	128.5	14%	0.14	61%	0.611	C	S	.	*	S	Bend	trans	-85.7	-35.8	-166.5	62.6	0	0	0	0	115.3	S587 R591 S592 I646	S587-S589 VanDerWaalsContact C-N 3.31Å; S587-S589 PolarHBondContact O-N 2.74Å; S587-S589 PolarHBondContact OG-OG 3.08Å; S589-R591 PolarHBondContact O-N 3.05Å; S589-S592 PolarHBondContact O-OG 2.65Å; S589-I646 WeakPolarHBondContact OG-CD1 3.28Å
590	L	31.2	Very low	32.6	Very low	94 Å²	94	133.8 Å²	133.8	49%	0.492	64%	0.635	S	S	.	*	H	α-helix	trans	-71.6	-27.3	-171.6	-79.3	165.1	0	0	0	114.3	S592 L594 I646	L590-S592 VanDerWaalsContact C-N 3.28Å; L590-S592 PolarHBondContact O-N 3.41Å; L590-L594 PolarHBondContact O-N 3.46Å; L590-I646 HydrophobicContact CD2-CD1 4.47Å
591	R	33.8	Very low	32.6	Very low	212 Å²	212	137.6 Å²	137.6	80%	0.8	66%	0.656	S	S	*	*	H	α-helix	trans	-73.5	-11.9	-178.7	-78.1	-168.1	175.9	-157.4	-0.2	114.9	S589	S589-R591 PolarHBondContact O-N 3.05Å
592	S	37.8	Very low	32.3	Very low	81 Å²	81	143.9 Å²	143.9	57%	0.566	68%	0.68	S	S	*	*	H	α-helix	trans	-86.5	-52.9	170.1	59.4	0	0	0	0	111.3	S589 L590 L594 R595	S589-S592 PolarHBondContact O-OG 2.65Å; L590-S592 VanDerWaalsContact C-N 3.28Å; L590-S592 PolarHBondContact O-N 3.41Å; S592-L594 VanDerWaalsContact C-N 3.28Å; S592-L594 PolarHBondContact O-N 3.06Å; S592-R595 PolarHBondContact O-N 3.07Å
593	R	33.7	Very low	32	Very low	143 Å²	143	140.4 Å²	140.4	54%	0.54	68%	0.681	S	S	.	*	H	α-helix	trans	-59.3	-34.1	-178.8	-67.3	-165.2	179.2	-173	4.4	113.2	R595 S596 A645 I646	R593-R595 VanDerWaalsContact C-N 3.3Å; R593-R595 PolarHBondContact O-N 2.72Å; R593-S596 PolarHBondContact O-OG 2.83Å; R593-A645 PolarHBondContact NH2-O 3.15Å; R593-A645 VanDerWaalsContact NH2-O 3.17Å; R593-I646 VanDerWaalsContact CZ-CG1 3.48Å
594	L	30.5	Very low	31.5	Very low	140 Å²	140	138.9 Å²	138.9	73%	0.733	69%	0.685	S	S	*	*	H	α-helix	trans	-75.7	-6.8	176.6	-78	168	0	0	0	115.3	L590 S592	L590-L594 PolarHBondContact O-N 3.46Å; S592-L594 VanDerWaalsContact C-N 3.28Å; S592-L594 PolarHBondContact O-N 3.06Å
595	R	33	Very low	31.2	Very low	219 Å²	219	140.3 Å²	140.3	83%	0.826	71%	0.705	S	S	*	*	H	α-helix	trans	-108.4	-7.3	-178.5	-88.3	-175.3	167.1	-173.4	-4.5	115.2	S592 R593	S592-R595 PolarHBondContact O-N 3.07Å; R593-R595 VanDerWaalsContact C-N 3.3Å; R593-R595 PolarHBondContact O-N 2.72Å
596	S	32.7	Very low	30.7	Very low	94 Å²	94	137.2 Å²	137.2	66%	0.657	70%	0.702	S	S	*	*	H	α-helix	trans	-93	-24.5	-179.5	48.6	0	0	0	0	114.7	R593	R593-S596 PolarHBondContact O-OG 2.83Å
597	S	28.6	Very low	30.3	Very low	102 Å²	102	136.1 Å²	136.1	71%	0.713	71%	0.709	S	S	*	*	S	Bend	trans	-104.7	-0.7	-161.7	-159.8	0	0	0	0	117.2
598	L	28.5	Very low	29.9	Very low	162 Å²	162	138.7 Å²	138.7	85%	0.848	72%	0.716	S	S	*	*			trans	-127.6	37.6	-178	-85	165.7	0	0	0	113.1
599	R	29.3	Very low	29.4	Very low	232 Å²	232	136.9 Å²	136.9	88%	0.875	71%	0.714	S	S	*	*	S	Bend	trans	-101.1	50.1	162.6	-91.3	-170.5	169.7	-116.9	4.8	110.7
600	Q	31.7	Very low	28.8	Very low	164 Å²	164	141.1 Å²	141.1	77%	0.766	73%	0.732	S	S	*	*	S	Bend	trans	-158	138.6	172.7	-110.7	148.6	23.7	0	0	112.7
601	N	28.4	Very low	28.5	Very low	160 Å²	160	143.6 Å²	143.6	86%	0.856	75%	0.75	S	S	*	*			trans	68	158.6	167.3	-58.7	-5.8	0	0	0	118.1
602	E	27.6	Very low	28.1	Very low	186 Å²	186	141 Å²	141	87%	0.869	75%	0.745	S	S	*	*			trans	-111.8	-176.9	-159.6	-58.1	174	112.4	0	0	112.2
603	V	26.4	Very low	27.4	Very low	136 Å²	136	141.7 Å²	141.7	82%	0.824	75%	0.749	S	S	*	*			trans	75	94.9	165.2	-167.2	0	0	0	0	117.1
604	A	25.3	Very low	27.1	Very low	88 Å²	88	141 Å²	141	73%	0.727	76%	0.764	S	S	*	*			trans	77.6	163.3	141.8	0	0	0	0	0	121.4
605	V	26.2	Very low	26.8	Very low	139 Å²	139	138.6 Å²	138.6	84%	0.842	75%	0.748	S	S	*	*			trans	75.6	124.4	171.9	-166.5	0	0	0	0	117
606	S	22.6	Very low	26.4	Very low	88 Å²	88	130.7 Å²	130.7	62%	0.615	74%	0.735	S	S	*	*			trans	-84	153	176.6	-41.2	0	0	0	0	112.3	I608	S606-I608 PolarHBondContact O-N 2.04Å
607	P	24.6	Very low	26.1	Very low	130 Å²	130	134.8 Å²	134.8	84%	0.844	74%	0.737	S	S	*	*			trans	-72.4	87.4	169.1	30.8	-34.2	0	0	0	110.8	I609	P607-I609 PolarHBondContact O-N 3.24Å
608	I	23.3	Very low	26	Very low	122 Å²	122	134.8 Å²	134.8	63%	0.626	74%	0.737	S	S	*	*			trans	-80	113.8	169.8	-52.4	175.3	0	0	0	108.2	S606 Q610	S606-I608 PolarHBondContact O-N 2.04Å; I608-Q610 HydrophobicContact CB-CG 4.22Å; I608-Q610 HydrophobicContact CG2-CG 3.6Å; I608-Q610 PolarHBondContact O-N 3.4Å
609	I	26.1	Very low	25.8	Very low	162 Å²	162	130.8 Å²	130.8	83%	0.831	73%	0.728	S	S	*	*			trans	-73.1	94.4	167.6	-58.7	178.8	0	0	0	107.8	P607	P607-I609 PolarHBondContact O-N 3.24Å
610	Q	23.1	Very low	25.6	Very low	110 Å²	110	130.8 Å²	130.8	51%	0.514	73%	0.729	S	S	.	*			trans	-89.6	105	176.2	-67.8	-169	-13	0	0	110.6	I608 K612	I608-Q610 HydrophobicContact CB-CG 4.22Å; I608-Q610 HydrophobicContact CG2-CG 3.6Å; I608-Q610 PolarHBondContact O-N 3.4Å; Q610-K612 PolarHBondContact O-N 2.82Å
611	V	25.4	Very low	25.4	Very low	145 Å²	145	131.4 Å²	131.4	88%	0.879	73%	0.729	S	S	*	*			trans	-77.9	105.1	161.4	-176.9	0	0	0	0	107.8
612	K	24.6	Very low	25.3	Very low	159 Å²	159	128.5 Å²	128.5	69%	0.691	72%	0.721	S	S	*	*			trans	-110.8	130.1	175.3	-85.6	167.4	164.6	159.9	0	109.2	Q610	Q610-K612 PolarHBondContact O-N 2.82Å
613	S	23.1	Very low	25.3	Very low	94 Å²	94	125.4 Å²	125.4	66%	0.657	71%	0.71	S	S	*	*			trans	-78.1	129.1	170.2	56.3	0	0	0	0	111	H615	S613-H615 PolarHBondContact O-N 3.47Å
614	P	27.6	Very low	25.4	Very low	129 Å²	129	126 Å²	126	84%	0.838	71%	0.708	S	S	*	*			trans	-82.6	112.9	168.2	31.1	-30.1	0	0	0	109.9
615	H	24.2	Very low	25.5	Very low	90 Å²	90	127.6 Å²	127.6	42%	0.417	70%	0.704	S	S	.	*			trans	-116	103.5	172.4	-113.9	-36.8	0	0	0	110	S462 S463 S613	S462-H615 VanDerWaalsContact CA-NE2 3.33Å; S462-H615 WeakPolarHBondContact CA-NE2 3.42Å; S462-H615 VanDerWaalsContact CB-CE1 3.47Å; S462-H615 WeakPolarHBondContact CB-CE1 3.48Å; S463-H615 PolarHBondContact N-CE1 3.11Å; S463-H615 VanDerWaalsContact N-CE1 3.32Å; S463-H615 PolarHBondContact N-NE2 3.13Å; S463-H615 VanDerWaalsContact N-NE2 3.12Å; S463-H615 PolarHBondContact O-NE2 3.49Å; S463-H615 VanDerWaalsContact O-NE2 3.15Å; S613-H615 PolarHBondContact O-N 3.47Å
616	G	25.6	Very low	25.6	Very low	53 Å²	53	126 Å²	126	55%	0.546	70%	0.699	S	S	.	*			trans	158.9	124.9	166.4	0	0	0	0	0	117
617	Y	25.2	Very low	26.3	Very low	180 Å²	180	127.2 Å²	127.2	71%	0.706	71%	0.705	S	S	*	*			trans	58.3	88.9	150.1	-66.1	-67.7	0	0	0	121.4	L465	L465-Y617 HydrophobicContact CD1-CD1 4.41Å; L465-Y617 HydrophobicContact CD1-CD2 3.85Å; L465-Y617 HydrophobicContact CD1-CE1 3.98Å; L465-Y617 HydrophobicContact CD1-CE2 3.37Å; L465-Y617 HydrophobicContact CD1-CG 4.35Å; L465-Y617 VanDerWaalsContact CD1-CZ 3.44Å; L465-Y617 HydrophobicContact CD2-CD2 4.03Å; L465-Y617 HydrophobicContact CD2-CE2 3.65Å; L465-Y617 HydrophobicContact CG-CE2 4.14Å
618	S	25.9	Very low	26.5	Very low	102 Å²	102	127.1 Å²	127.1	71%	0.713	69%	0.693	S	S	*	*				52.3	138.3	109.1	69.8	0	0	0	0	123.4
619	A	25	Very low	27.3	Very low	78 Å²	78	123.9 Å²	123.9	65%	0.645	68%	0.68	S	S	*	*			trans	106.7	109.5	130.4	0	0	0	0	0	119.7
620	Y	25.7	Very low	27.6	Very low	231 Å²	231	127.7 Å²	127.7	91%	0.906	68%	0.684	S	S	*	*			trans	63.7	151.5	154	-63.1	-60.8	0	0	0	118
621	K	26.5	Very low	28	Very low	177 Å²	177	125.6 Å²	125.6	77%	0.77	69%	0.692	S	S	*	*			cis	-156.6	171.6	-16.4	177.5	174.1	175.2	-166	0	107.4
622	C	26.9	Very low	28.3	Very low	100 Å²	100	127.6 Å²	127.6	68%	0.676	69%	0.692	S	S	*	*			trans	-53.9	173.6	169.8	-37.5	0	0	0	0	113.8
623	D	28	Very low	28.7	Very low	121 Å²	121	126.1 Å²	126.1	65%	0.647	69%	0.691	S	S	*	*			cis	-165.9	156.5	38.9	-89.2	-56.3	0	0	0	112.5
624	L	28.1	Very low	29	Very low	148 Å²	148	129 Å²	129	78%	0.775	70%	0.699	S	S	*	*			trans	55.5	163	142.4	-58.3	170.3	0	0	0	120.9
625	D	27.1	Very low	29.1	Very low	122 Å²	122	126.2 Å²	126.2	65%	0.652	69%	0.693	S	S	*	*			cis	-161.6	147.7	-0.7	-131.5	-38.4	0	0	0	115
626	S	29	Very low	29.4	Very low	104 Å²	104	127 Å²	127	73%	0.727	71%	0.709	S	S	*	*			trans	54.2	162.1	138.9	-69.2	0	0	0	0	127.6
627	P	36.2	Very low	29.4	Very low	114 Å²	114	131.6 Å²	131.6	74%	0.74	72%	0.721	S	S	*	*			trans	-137.6	-158.6	-148.8	45.3	-25.8	0	0	0	119.2
628	E	30.9	Very low	29.6	Very low	128 Å²	128	131 Å²	131	60%	0.598	73%	0.729	S	S	*	*			trans	128.6	161.3	156.2	-79.7	-82	111	0	0	119.8	Q682	E628-Q682 PolarHBondContact O-NE2 2.77Å
629	P	39.7	Very low	29.6	Very low	55 Å²	55	130.9 Å²	130.9	36%	0.357	73%	0.728	S	S	.	*			trans	-131.9	-172.6	-167.1	43	-28.5	0	0	0	118.2	Q682	P629-Q682 HydrophobicContact CB-CB 4.16Å; P629-Q682 HydrophobicContact CB-CG 4.46Å; P629-Q682 VanDerWaalsContact CG-OE1 3.31Å
630	R	30.8	Very low	29.6	Very low	241 Å²	241	134.7 Å²	134.7	91%	0.909	74%	0.737	S	S	*	*			trans	173	151.2	134.9	-94.6	157.8	-165.5	-112.3	0.8	117.7
631	G	32.3	Very low	29.5	Very low	66 Å²	66	129.4 Å²	129.4	68%	0.68	73%	0.729	S	S	*	*			trans	102.9	115.9	158.3	0	0	0	0	0	117.1
632	Q	32.1	Very low	29.4	Very low	188 Å²	188	126.1 Å²	126.1	88%	0.879	73%	0.728	S	S	*	*				82	140.8	52	-65.5	-172.4	-8.3	0	0	115
633	L	31.9	Very low	29.3	Very low	127 Å²	127	131.9 Å²	131.9	67%	0.665	74%	0.738	S	S	*	*			cis	-166.1	166.7	-2.6	-114.2	171.5	0	0	0	113.2
634	N	31	Very low	29.1	Very low	155 Å²	155	131.1 Å²	131.1	83%	0.829	74%	0.742	S	S	*	*			trans	68.1	150.1	159.6	-66	-26.9	0	0	0	122.2
635	G	29.8	Very low	29.1	Very low	70 Å²	70	127.2 Å²	127.2	72%	0.722	73%	0.73	S	S	*	*			trans	176.6	-31.2	168	0	0	0	0	0	124.4
636	S	29.4	Very low	29.1	Very low	107 Å²	107	123.9 Å²	123.9	75%	0.748	71%	0.712	S	S	*	*			trans	47.6	135.5	173.6	67.6	0	0	0	0	123
637	N	26.8	Very low	28.9	Very low	150 Å²	150	125.3 Å²	125.3	80%	0.802	71%	0.712	S	S	*	*			trans	64.9	114.2	152	-60.1	-22.2	0	0	0	121.3
638	I	28.1	Very low	28.5	Very low	168 Å²	168	125.5 Å²	125.5	86%	0.862	72%	0.715	S	S	*	*				178.2	145.6	110.6	-91.8	160.2	0	0	0	109.8
639	S	26.7	Very low	28.3	Very low	99 Å²	99	124.4 Å²	124.4	69%	0.692	72%	0.721	S	S	*	*			trans	-80	128.3	175.7	55.4	0	0	0	0	112.5
640	N	25.1	Very low	27.7	Very low	157 Å²	157	129.9 Å²	129.9	84%	0.84	74%	0.742	S	S	*	*			trans	-163.9	162.5	130.5	-107.5	-33.9	0	0	0	115.2
641	T	24.3	Very low	27.7	Very low	121 Å²	121	121.9 Å²	121.9	74%	0.742	72%	0.716	S	S	*	*			trans	-43.6	138.5	-176.9	52.4	0	0	0	0	118.5
642	S	23.9	Very low	27.5	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	72%	0.718	S	S	*	*				119.3	141.4	128.2	80.3	0	0	0	0	119.8
643	Y	23.5	Very low	27.5	Very low	221 Å²	221	121.3 Å²	121.3	87%	0.867	70%	0.695	S	S	*	*			trans	76.3	153.7	156.8	-104.5	-102.5	0	0	0	122.8
644	S	25.3	Very low	27.8	Very low	105 Å²	105	122.7 Å²	122.7	73%	0.734	70%	0.698	S	S	*	*			trans	59.1	90.9	165.1	22.7	0	0	0	0	119.8
645	A	26.4	Very low	28.1	Very low	65 Å²	65	119.5 Å²	119.5	54%	0.537	69%	0.686	S	S	.	*			trans	-67.2	164.5	155	0	0	0	0	0	113.3	R593	R593-A645 PolarHBondContact NH2-O 3.15Å; R593-A645 VanDerWaalsContact NH2-O 3.17Å
646	I	27.2	Very low	28.5	Very low	53 Å²	53	118.8 Å²	118.8	27%	0.272	67%	0.665	S	S	.	*				-178.9	164.3	116.3	-90	-111.5	0	0	0	113	S589 L590 R593	S589-I646 WeakPolarHBondContact OG-CD1 3.28Å; L590-I646 HydrophobicContact CD2-CD1 4.47Å; R593-I646 VanDerWaalsContact CZ-CG1 3.48Å
647	D	26.3	Very low	29.1	Very low	134 Å²	134	117.2 Å²	117.2	72%	0.717	65%	0.646	S	S	*	*			trans	63.1	106.3	168.9	-64.3	-27.2	0	0	0	121.6
648	S	26.5	Very low	29.7	Very low	117 Å²	117	110.8 Å²	110.8	82%	0.818	61%	0.613	S	S	*	*				175.3	113.2	121.6	-76	0	0	0	0	109.5
649	C	26.8	Very low	30.2	Very low	105 Å²	105	106.1 Å²	106.1	71%	0.709	60%	0.595	S	S	*	*			trans	-160.8	108.4	171.9	-94.9	0	0	0	0	110.2
650	E	28.1	Very low	30.5	Very low	170 Å²	170	103.6 Å²	103.6	79%	0.794	58%	0.58	S	S	*	*			trans	-71.6	145.9	179.7	-60.8	163.3	132.2	0	0	111.6	Y652	E650-Y652 PolarHBondContact O-N 3.37Å
651	I	30.1	Very low	31.2	Very low	74 Å²	74	98.9 Å²	98.9	38%	0.379	56%	0.558	S	S	.	*			trans	-83.8	104	175.8	-60	169.9	0	0	0	108.7	Y584 C653	Y584-I651 HydrophobicContact CD2-CG1 4.21Å; Y584-I651 HydrophobicContact CE1-CD1 4.45Å; Y584-I651 HydrophobicContact CE1-CG1 4.37Å; Y584-I651 HydrophobicContact CE2-CD1 4.36Å; Y584-I651 HydrophobicContact CE2-CG1 3.51Å; I651-C653 VanDerWaalsContact C-N 3.32Å; I651-C653 PolarHBondContact O-N 3.44Å
652	Y	28.1	Very low	31.7	Very low	183 Å²	183	95.4 Å²	95.4	72%	0.718	55%	0.547	S	S	*	.			trans	-67.1	88.7	165.5	-91.6	-104.6	0	0	0	110.4	E650 Q654	E650-Y652 PolarHBondContact O-N 3.37Å; Y652-Q654 PolarHBondContact O-N 3.06Å
653	C	32.9	Very low	32.3	Very low	58 Å²	58	96.5 Å²	96.5	39%	0.392	54%	0.54	S	S	.	.			trans	-71.3	115.8	166.4	-75.3	0	0	0	0	109.7	I651	I651-C653 VanDerWaalsContact C-N 3.32Å; I651-C653 PolarHBondContact O-N 3.44Å
654	Q	36.9	Very low	33	Very low	156 Å²	156	89.6 Å²	89.6	73%	0.729	52%	0.521	S	S	*	.			trans	-76.3	130.8	172.6	-63.7	-172.1	-77.1	0	0	110.3	Y652 L656	Y652-Q654 PolarHBondContact O-N 3.06Å; Q654-L656 PolarHBondContact O-N 3.08Å
655	P	38.5	Very low	33.5	Very low	89 Å²	89	89.4 Å²	89.4	58%	0.578	51%	0.511	S	S	*	.			trans	-66.7	132	170.1	27.4	-32.9	0	0	0	110.1	T664	P655-T664 HydrophobicContact CB-CG2 3.71Å
656	L	38.6	Very low	33.9	Very low	54 Å²	54	90.9 Å²	90.9	28%	0.283	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	110.3	-176.9	-71.4	172.6	0	0	0	110.9	M574 L579 Q654 L665	M574-L656 HydrophobicContact CE-CD1 3.82Å; M574-L656 HydrophobicContact SD-CD1 3.74Å; L579-L656 HydrophobicContact CD2-CD1 3.62Å; Q654-L656 PolarHBondContact O-N 3.08Å; L656-L665 HydrophobicContact CB-CB 4.38Å; L656-L665 PolarHBondContact N-O 3.15Å; L656-L665 PolarHBondContact O-N 2.81Å
657	H	40.2	Very low	34.3	Very low	75 Å²	75	92.3 Å²	92.3	35%	0.347	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.8	-176.7	-164.2	65.5	0	0	0	112.6	S659 G662 T664 S698	H657-S659 PolarHBondContact O-N 3.11Å; H657-G662 PolarHBondContact CE1-O 2.93Å; H657-T664 PolarHBondContact ND1-OG1 2.93Å; H657-S698 VanDerWaalsContact O-CB 3.23Å; H657-S698 WeakPolarHBondContact O-CB 3.34Å; H657-S698 PolarHBondContact O-OG 2.99Å
658	C	40.4	Very low	34.4	Very low	15 Å²	15	93.9 Å²	93.9	10%	0.101	52%	0.524	C	S	.	.			trans	-83.8	99.5	-177.3	-178.7	0	0	0	0	111.9	A660 C661 G662 E663	C658-A660 PolarHBondContact O-N 3.41Å; C658-A660 VanDerWaalsContact O-N 3.08Å; C658-C661 HydrophobicContact CB-CB 4.29Å; C658-C661 WeakPolarHBondContact CB-SG 3.04Å; C658-C661 PolarHBondContact O-N 3.24Å; C658-C661 VanDerWaalsContact O-N 3.07Å; C658-C661 WeakPolarHBondContact SG-CB 2.99Å; C658-C661 PolarHBondContact SG-N 3.01Å; C658-C661 CovalentContact SG-SG 2.04Å; C658-C661 PolarHBondContact SG-SG 2.96Å; C658-G662 PolarHBondContact O-N 2.97Å; C658-E663 HydrophobicContact CB-CB 4.49Å; C658-E663 WeakPolarHBondContact CB-O 3.37Å; C658-E663 PolarHBondContact N-O 3.48Å
659	S	37.8	Very low	34.6	Very low	70 Å²	70	92.8 Å²	92.8	49%	0.49	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17	177.7	59	0	0	0	0	114.4	H657 S698	H657-S659 PolarHBondContact O-N 3.11Å; S659-S698 WeakPolarHBondContact CB-OG 3.19Å; S659-S698 PolarHBondContact N-OG 3.49Å; S659-S698 PolarHBondContact OG-OG 3.49Å; S659-S698 VanDerWaalsContact OG-OG 3.12Å
660	A	33.3	Very low	34.7	Very low	45 Å²	45	95.6 Å²	95.6	37%	0.372	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-20.3	175.9	0	0	0	0	0	114.1	C658	C658-A660 PolarHBondContact O-N 3.41Å; C658-A660 VanDerWaalsContact O-N 3.08Å
661	C	40	Very low	34.7	Very low	58 Å²	58	94 Å²	94	39%	0.392	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.5	-3.6	-166.1	68.7	0	0	0	0	116	C658 E663	C658-C661 HydrophobicContact CB-CB 4.29Å; C658-C661 WeakPolarHBondContact CB-SG 3.04Å; C658-C661 PolarHBondContact O-N 3.24Å; C658-C661 VanDerWaalsContact O-N 3.07Å; C658-C661 WeakPolarHBondContact SG-CB 2.99Å; C658-C661 PolarHBondContact SG-N 3.01Å; C658-C661 CovalentContact SG-SG 2.04Å; C658-C661 PolarHBondContact SG-SG 2.96Å; C661-E663 PolarHBondContact O-N 3.01Å; C661-E663 VanDerWaalsContact O-N 3.11Å
662	G	35.5	Very low	34.4	Very low	49 Å²	49	98 Å²	98	51%	0.505	54%	0.538	S	S	.	.			trans	72.7	-8.2	178.4	0	0	0	0	0	115.6	H657 C658	H657-G662 PolarHBondContact CE1-O 2.93Å; C658-G662 PolarHBondContact O-N 2.97Å
663	E	35.6	Very low	34.3	Very low	130 Å²	130	95.3 Å²	95.3	61%	0.607	55%	0.546	S	S	*	.			trans	-74.5	138.9	-179.8	-62.1	-171.8	159.6	0	0	112.2	C658 C661	C658-E663 HydrophobicContact CB-CB 4.49Å; C658-E663 WeakPolarHBondContact CB-O 3.37Å; C658-E663 PolarHBondContact N-O 3.48Å; C661-E663 PolarHBondContact O-N 3.01Å; C661-E663 VanDerWaalsContact O-N 3.11Å
664	T	39.4	Very low	34	Very low	76 Å²	76	97.3 Å²	97.3	47%	0.466	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.9	112.9	172.5	-62.3	0	0	0	0	109.5	P655 H657 V666	P655-T664 HydrophobicContact CB-CG2 3.71Å; H657-T664 PolarHBondContact ND1-OG1 2.93Å; T664-V666 HydrophobicContact CG2-CG2 4.45Å; T664-V666 PolarHBondContact O-N 2.93Å
665	L	34.6	Very low	33.5	Very low	101 Å²	101	96.9 Å²	96.9	53%	0.529	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.7	115.4	175.9	-63	174.7	0	0	0	110	L656	L656-L665 HydrophobicContact CB-CB 4.38Å; L656-L665 PolarHBondContact N-O 3.15Å; L656-L665 PolarHBondContact O-N 2.81Å
666	V	35.7	Very low	32.9	Very low	96 Å²	96	99.7 Å²	99.7	58%	0.582	58%	0.577	S	S	*	*			trans	-102.9	132.9	170	-178.5	0	0	0	0	108.5	T664	T664-V666 HydrophobicContact CG2-CG2 4.45Å; T664-V666 PolarHBondContact O-N 2.93Å
667	L	34	Very low	32.3	Very low	84 Å²	84	104.6 Å²	104.6	44%	0.44	60%	0.601	S	S	.	*			trans	-107.2	100.6	-177.8	-76.9	163.3	0	0	0	110.9	L579	L579-L667 HydrophobicContact CB-CD1 4.47Å; L579-L667 HydrophobicContact CD1-CD1 3.81Å; L579-L667 HydrophobicContact CD2-CD1 3.51Å; L579-L667 HydrophobicContact CG-CD1 4.12Å
668	H	30	Very low	31.6	Very low	167 Å²	167	105.8 Å²	105.8	77%	0.773	62%	0.618	S	S	*	*			trans	-77.3	138.7	166.3	-76	-97.8	0	0	0	110.9
669	T	30.6	Very low	31.2	Very low	94 Å²	94	110.4 Å²	110.4	58%	0.577	65%	0.648	S	S	*	*			trans	-121	107.2	165.4	54.4	0	0	0	0	108.7	I671	T669-I671 PolarHBondContact O-N 3.25Å
670	D	28.4	Very low	30.8	Very low	164 Å²	164	115.7 Å²	115.7	88%	0.877	67%	0.665	S	S	*	*			trans	-66.9	102.9	175.3	-81.4	-40.2	0	0	0	110.8
671	I	27.2	Very low	31.1	Very low	136 Å²	136	118 Å²	118	70%	0.697	68%	0.676	S	S	*	*			trans	-98.1	73.6	169.8	-52	176.4	0	0	0	108.1	T669	T669-I671 PolarHBondContact O-N 3.25Å
672	N	25.6	Very low	30.5	Very low	157 Å²	157	119 Å²	119	84%	0.84	68%	0.675	S	S	*	*			trans	-165.1	102	165.9	-103.5	-35.8	0	0	0	113
673	S	25	Very low	30.2	Very low	127 Å²	127	124.1 Å²	124.1	89%	0.888	68%	0.684	S	S	*	*			trans	-174	55.7	159.3	26.8	0	0	0	0	113.9
674	A	27.8	Very low	29.9	Very low	100 Å²	100	122.7 Å²	122.7	83%	0.826	69%	0.688	S	S	*	*			trans	-154.3	111.7	161.2	0	0	0	0	0	111.4
675	N	25.2	Very low	29.4	Very low	147 Å²	147	126.6 Å²	126.6	79%	0.786	70%	0.701	S	S	*	*			trans	-58.3	144	-175.7	-52.7	-27.9	0	0	0	114.1
676	M	25	Very low	29	Very low	149 Å²	149	125.7 Å²	125.7	73%	0.734	70%	0.696	S	S	*	*				175.3	123.9	107.5	-90.2	-75.3	106.6	0	0	113.3
677	I	26.1	Very low	28.5	Very low	156 Å²	156	126.5 Å²	126.5	80%	0.8	70%	0.697	S	S	*	*			trans	72.7	120.1	149.4	-59	166.6	0	0	0	118.6
678	S	26.4	Very low	28.2	Very low	100 Å²	100	128.1 Å²	128.1	70%	0.699	71%	0.705	S	S	*	*			trans	-80.5	179.1	170.1	-118.7	0	0	0	0	112.1
679	P	32	Very low	27.9	Very low	112 Å²	112	129.6 Å²	129.6	73%	0.727	70%	0.704	S	S	*	*			cis	-137.4	146.8	13.7	37.9	-18.2	0	0	0	118.8
680	E	29.6	Very low	27.7	Very low	181 Å²	181	130.2 Å²	130.2	85%	0.846	71%	0.71	S	S	*	*			trans	52.5	159.7	131.2	-67.9	-139.7	91.7	0	0	125
681	P	39.2	Very low	27.8	Very low	93 Å²	93	128.3 Å²	128.3	60%	0.604	71%	0.706	S	S	*	*			trans	-125.2	-161.7	-156	44.5	-29	0	0	0	113.6
682	Q	28.3	Very low	27.7	Very low	79 Å²	79	128.1 Å²	128.1	37%	0.369	71%	0.711	S	S	.	*				-177.9	142.3	125.9	-99.3	161.6	98.5	0	0	114.4	E628 P629	E628-Q682 PolarHBondContact O-NE2 2.77Å; P629-Q682 HydrophobicContact CB-CB 4.16Å; P629-Q682 HydrophobicContact CB-CG 4.46Å; P629-Q682 VanDerWaalsContact CG-OE1 3.31Å
683	F	28.7	Very low	27.7	Very low	157 Å²	157	125.6 Å²	125.6	69%	0.689	71%	0.706	S	S	*	*			trans	45.6	147.4	153.4	-64.7	-62.1	0	0	0	121.7
684	S	28.4	Very low	27.9	Very low	100 Å²	100	125.3 Å²	125.3	70%	0.699	69%	0.693	S	S	*	*			cis	-170.6	-169	-22.8	-147.9	0	0	0	0	109.8
685	E	28.8	Very low	27.8	Very low	158 Å²	158	127 Å²	127	74%	0.738	69%	0.687	S	S	*	*			trans	94.9	106.4	153.4	-61.9	-143.3	118.9	0	0	121.8
686	L	26.9	Very low	27.9	Very low	83 Å²	83	123.6 Å²	123.6	44%	0.435	68%	0.675	S	S	.	*				69.4	108.1	122.6	-55	-173.3	0	0	0	121.1	P1043 M1044	L686-P1043 HydrophobicContact CB-CG 3.41Å; L686-P1043 VanDerWaalsContact CB-CG 3.41Å; L686-P1043 HydrophobicContact CD1-CG 4.29Å; L686-P1043 HydrophobicContact CD2-CG 3.46Å; L686-P1043 VanDerWaalsContact CD2-CG 3.46Å; L686-P1043 HydrophobicContact CG-CG 3.82Å; L686-M1044 WeakPolarHBondContact CD2-O 3.23Å
687	L	26.2	Very low	28	Very low	112 Å²	112	121.9 Å²	121.9	59%	0.586	68%	0.678	S	S	*	*				173.7	132.9	124.6	-91.5	163.7	0	0	0	117.2	N1042 P1043	L687-N1042 HydrophobicContact CD2-CB 3.62Å; L687-N1042 WeakPolarHBondContact CD2-O 3.48Å; L687-P1043 HydrophobicContact CD2-CB 4.38Å; L687-P1043 HydrophobicContact CD2-CG 4.46Å
688	L	27.7	Very low	28.1	Very low	119 Å²	119	116.8 Å²	116.8	62%	0.623	66%	0.656	S	S	*	*			trans	83.1	112.8	151	-68.7	156.7	0	0	0	123.3	N1042	L688-N1042 HydrophobicContact CD2-CB 4.41Å; L688-N1042 WeakPolarHBondContact CD2-ND2 3.31Å
689	R	23.7	Very low	28.1	Very low	198 Å²	198	116 Å²	116	75%	0.747	64%	0.642	S	S	*	*			trans	-42.5	145	173.4	-63	170.4	170.5	156.9	-3.5	119.1
690	P	26.7	Very low	27.8	Very low	107 Å²	107	113.3 Å²	113.3	70%	0.695	63%	0.626	S	S	*	*			trans	-104.2	151.3	152.9	37.2	-30.2	0	0	0	113.6
691	P	29.8	Very low	27.9	Very low	123 Å²	123	111 Å²	111	80%	0.799	63%	0.631	S	S	*	*			trans	-100	121.2	178.6	35.1	-31.5	0	0	0	115.6
692	V	24.8	Very low	27.5	Very low	132 Å²	132	110 Å²	110	80%	0.8	63%	0.625	S	S	*	*			trans	19.2	129.7	142	-157.6	0	0	0	0	121
693	S	26.4	Very low	27.5	Very low	104 Å²	104	112 Å²	112	73%	0.727	63%	0.63	S	S	*	*			trans	49.7	113	154.1	68.5	0	0	0	0	121.6
694	I	28.1	Very low	27.6	Very low	122 Å²	122	116 Å²	116	63%	0.626	64%	0.641	S	S	*	*			trans	-134.3	143.2	143.3	-70.5	-171.7	0	0	0	109.2
695	L	26.4	Very low	27.6	Very low	134 Å²	134	115.7 Å²	115.7	70%	0.702	63%	0.629	S	S	*	*			trans	-73.9	158.6	-166.7	-69.1	157.9	0	0	0	115.2
696	S	26.1	Very low	27.6	Very low	77 Å²	77	112.3 Å²	112.3	54%	0.538	63%	0.628	S	S	.	*			trans	-72	147.3	176.3	54.1	0	0	0	0	113.9
697	S	27.4	Very low	27.6	Very low	112 Å²	112	117.7 Å²	117.7	78%	0.783	65%	0.65	S	S	*	*			trans	-137.9	101.5	169.4	59.5	0	0	0	0	111.2
698	S	27.9	Very low	27.7	Very low	50 Å²	50	118.5 Å²	118.5	35%	0.35	66%	0.656	S	S	.	*			trans	-106.2	156.8	175.8	38.2	0	0	0	0	112.1	H657 S659	H657-S698 VanDerWaalsContact O-CB 3.23Å; H657-S698 WeakPolarHBondContact O-CB 3.34Å; H657-S698 PolarHBondContact O-OG 2.99Å; S659-S698 WeakPolarHBondContact CB-OG 3.19Å; S659-S698 PolarHBondContact N-OG 3.49Å; S659-S698 PolarHBondContact OG-OG 3.49Å; S659-S698 VanDerWaalsContact OG-OG 3.12Å
699	M	26.6	Very low	27.7	Very low	82 Å²	82	117.4 Å²	117.4	40%	0.404	66%	0.655	S	S	.	*			trans	-98.5	136.1	-161.4	-63.1	176.9	58.6	0	0	114	F572 R578	F572-M699 WeakPolarHBondContact CE1-O 3.16Å; R578-M699 PolarHBondContact NH1-SD 2.78Å
700	S	27.4	Very low	28	Very low	56 Å²	56	109.5 Å²	109.5	39%	0.392	64%	0.636	S	S	.	*			trans	-105	170.7	148.7	62.2	0	0	0	0	110.3	S702	S700-S702 VanDerWaalsContact C-N 3.29Å; S700-S702 PolarHBondContact O-N 2.99Å
701	S	29.9	Very low	28.3	Very low	134 Å²	134	108.6 Å²	108.6	94%	0.937	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	6.8	-162.8	45.8	0	0	0	0	116.7
702	S	31.2	Very low	28.4	Very low	70 Å²	70	105.2 Å²	105.2	49%	0.49	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.6	11.7	-179.2	52.1	0	0	0	0	114.8	S700 W704	S700-S702 VanDerWaalsContact C-N 3.29Å; S700-S702 PolarHBondContact O-N 2.99Å; S702-W704 PolarHBondContact O-N 2.99Å
703	Y	28.6	Very low	29.2	Very low	121 Å²	121	100.2 Å²	100.2	48%	0.475	57%	0.571	S	S	.	*			trans	-85.5	76.2	-164.8	-150.3	-79.9	0	0	0	115.2	Q705	Y703-Q705 HydrophobicContact CD1-CB 4.3Å; Y703-Q705 HydrophobicContact CD1-CG 4.21Å; Y703-Q705 HydrophobicContact CE1-CB 3.79Å; Y703-Q705 VanDerWaalsContact CE1-CD 3.47Å; Y703-Q705 HydrophobicContact CE1-CG 3.65Å; Y703-Q705 PolarHBondContact OH-NE2 3.46Å; Y703-Q705 PolarHBondContact OH-OE1 3.01Å
704	W	30.4	Very low	29.8	Very low	243 Å²	243	97.6 Å²	97.6	92%	0.92	55%	0.546	S	S	*	.			trans	-91.1	108.6	156.4	-70.5	104.8	0	0	0	110.4	S702	S702-W704 PolarHBondContact O-N 2.99Å
705	Q	29.7	Very low	30.2	Very low	93 Å²	93	94.3 Å²	94.3	44%	0.435	53%	0.532	S	S	.	.			trans	-127.6	98.1	162.2	-74	-174.9	-3.5	0	0	108.9	Y703	Y703-Q705 HydrophobicContact CD1-CB 4.3Å; Y703-Q705 HydrophobicContact CD1-CG 4.21Å; Y703-Q705 HydrophobicContact CE1-CB 3.79Å; Y703-Q705 VanDerWaalsContact CE1-CD 3.47Å; Y703-Q705 HydrophobicContact CE1-CG 3.65Å; Y703-Q705 PolarHBondContact OH-NE2 3.46Å; Y703-Q705 PolarHBondContact OH-OE1 3.01Å
706	A	27.6	Very low	30.7	Very low	87 Å²	87	90.9 Å²	90.9	72%	0.719	52%	0.515	S	S	*	.			trans	-89.4	152.2	145.1	0	0	0	0	0	108	D708	A706-D708 VanDerWaalsContact C-N 3.3Å; A706-D708 PolarHBondContact O-N 3.09Å
707	E	27.9	Very low	31.1	Very low	195 Å²	195	92.7 Å²	92.7	91%	0.911	52%	0.522	S	S	*	.			trans	-76.9	82	171.1	-65.1	177.3	157.1	0	0	108.8
708	D	27.9	Very low	31.3	Very low	130 Å²	130	91.7 Å²	91.7	70%	0.695	51%	0.505	S	S	*	.			trans	-71.9	133.5	178.2	-118.7	-24.6	0	0	0	110.6	A706 G710	A706-D708 VanDerWaalsContact C-N 3.3Å; A706-D708 PolarHBondContact O-N 3.09Å; D708-G710 PolarHBondContact O-N 3.29Å
709	P	27.6	Very low	31.9	Very low	95 Å²	95	92.3 Å²	92.3	62%	0.617	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-71.8	12	-174.5	29.2	-35	0	0	0	114.9	D711 T712	P709-D711 PolarHBondContact O-N 3.49Å; P709-T712 WeakPolarHBondContact O-CB 3.33Å; P709-T712 WeakPolarHBondContact O-CG2 3.47Å; P709-T712 PolarHBondContact O-N 2.73Å; P709-T712 PolarHBondContact O-OG1 3.39Å
710	G	31	Very low	32.5	Very low	33 Å²	33	92.2 Å²	92.2	34%	0.34	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-64.7	-20.9	178	0	0	0	0	0	114.9	D708 T712	D708-G710 PolarHBondContact O-N 3.29Å; G710-T712 PolarHBondContact O-N 3.02Å; G710-T712 VanDerWaalsContact O-N 3.08Å
711	D	32	Very low	33	Very low	87 Å²	87	91.9 Å²	91.9	47%	0.465	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-63.4	-10	172.2	-86.8	-22.1	0	0	0	113.3	P709 I713 F714 T715	P709-D711 PolarHBondContact O-N 3.49Å; D711-I713 PolarHBondContact O-N 3.06Å; D711-I713 VanDerWaalsContact O-N 3.08Å; D711-F714 PolarHBondContact O-N 2.93Å; D711-T715 PolarHBondContact O-N 3.13Å
712	T	32.8	Very low	33.3	Very low	52 Å²	52	89 Å²	89	32%	0.319	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-51.4	-30.7	175.7	40.7	0	0	0	0	114	P709 G710 F714 T715 H718	P709-T712 WeakPolarHBondContact O-CB 3.33Å; P709-T712 WeakPolarHBondContact O-CG2 3.47Å; P709-T712 PolarHBondContact O-N 2.73Å; P709-T712 PolarHBondContact O-OG1 3.39Å; G710-T712 PolarHBondContact O-N 3.02Å; G710-T712 VanDerWaalsContact O-N 3.08Å; T712-F714 PolarHBondContact O-N 3.23Å; T712-F714 VanDerWaalsContact O-N 3.16Å; T712-T715 PolarHBondContact O-N 3.27Å; T712-T715 PolarHBondContact O-OG1 2.99Å; T712-H718 WeakPolarHBondContact O-CB 3.31Å
713	I	39.7	Very low	33.9	Very low	27 Å²	27	87.4 Å²	87.4	14%	0.138	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-59	-28.6	176.7	-59.3	171.1	0	0	0	112.1	D711 I1323 R1328	D711-I713 PolarHBondContact O-N 3.06Å; D711-I713 VanDerWaalsContact O-N 3.08Å; I713-I1323 HydrophobicContact CD1-CB 4.09Å; I713-I1323 HydrophobicContact CD1-CG2 4.39Å; I713-I1323 WeakPolarHBondContact CD1-O 3.15Å; I713-R1328 VanDerWaalsContact CD1-NH2 3.3Å
714	F	40.6	Very low	34.5	Very low	49 Å²	49	85.1 Å²	85.1	22%	0.215	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-105.8	11.7	176.3	-65.3	-65.9	0	0	0	113.6	D711 T712 L1220 R1277 V1279 I1323	D711-F714 PolarHBondContact O-N 2.93Å; T712-F714 PolarHBondContact O-N 3.23Å; T712-F714 VanDerWaalsContact O-N 3.16Å; F714-L1220 HydrophobicContact CE1-CD2 4.09Å; F714-L1220 HydrophobicContact CZ-CD2 4.2Å; F714-R1277 HydrophobicContact CD1-CB 4.47Å; F714-R1277 HydrophobicContact CD1-CG 4.36Å; F714-R1277 HydrophobicContact CE1-CB 4.38Å; F714-V1279 HydrophobicContact CZ-CG2 4.34Å; F714-I1323 HydrophobicContact CE2-CD1 3.73Å; F714-I1323 HydrophobicContact CE2-CG1 4.35Å; F714-I1323 HydrophobicContact CZ-CD1 3.59Å
715	T	36	Very low	35.1	Very low	54 Å²	54	77.1 Å²	77.1	33%	0.331	44%	0.438	S	S	.	.	S	Bend	trans	-83.2	124.4	163.6	62.6	0	0	0	0	108.8	D711 T712 V717 H718 L719	D711-T715 PolarHBondContact O-N 3.13Å; T712-T715 PolarHBondContact O-N 3.27Å; T712-T715 PolarHBondContact O-OG1 2.99Å; T715-V717 PolarHBondContact O-N 2.56Å; T715-H718 PolarHBondContact O-N 3.16Å; T715-H718 PolarHBondContact OG1-ND1 3.36Å; T715-H718 VanDerWaalsContact OG1-ND1 3.13Å; T715-L719 PolarHBondContact O-N 2.96Å
716	D	35.9	Very low	35.5	Very low	62 Å²	62	75.8 Å²	75.8	33%	0.332	43%	0.434	S	S	.	.	H	α-helix	trans	-46.4	-43.2	-177.7	-47.4	-63.7	0	0	0	111.3	H718 L719 D720 R1274	D716-H718 VanDerWaalsContact C-N 3.29Å; D716-H718 PolarHBondContact O-N 3.32Å; D716-L719 PolarHBondContact O-N 3.15Å; D716-L719 VanDerWaalsContact O-N 3.13Å; D716-D720 PolarHBondContact O-N 3.35Å; D716-R1274 VanDerWaalsContact CG-NE 3.3Å; D716-R1274 WeakPolarHBondContact OD1-CD 3.31Å; D716-R1274 IonicContact OD1-CZ 2.74Å; D716-R1274 IonicContact OD1-NE 3.32Å; D716-R1274 PolarHBondContact OD1-NE 2.88Å; D716-R1274 IonicContact OD1-NH2 2.68Å; D716-R1274 IonicContact OD2-CZ 3.64Å; D716-R1274 VanDerWaalsContact OD2-CZ 3.25Å; D716-R1274 IonicContact OD2-NE 2.65Å; D716-R1274 PolarHBondContact OD2-NE 3.21Å; D716-R1274 IonicContact OD2-NH2 2.72Å; D716-R1274 PolarHBondContact OD2-NH2 3.18Å
717	V	34.2	Very low	36.1	Very low	115 Å²	115	79.1 Å²	79.1	70%	0.697	43%	0.428	S	S	*	.	H	α-helix	trans	-50.6	-39.3	179.4	-173	0	0	0	0	113.9	T715 A721	T715-V717 PolarHBondContact O-N 2.56Å; V717-A721 WeakPolarHBondContact O-CB 3.17Å; V717-A721 PolarHBondContact O-N 3.47Å; V717-A721 VanDerWaalsContact O-N 3.16Å
718	H	32.9	Very low	36.7	Very low	90 Å²	90	76.4 Å²	76.4	42%	0.417	41%	0.409	S	S	.	.	H	α-helix	trans	-84.4	-35.3	179.4	-82.2	94.8	0	0	0	112.8	T712 T715 D716 A721 L722	T712-H718 WeakPolarHBondContact O-CB 3.31Å; T715-H718 PolarHBondContact O-N 3.16Å; T715-H718 PolarHBondContact OG1-ND1 3.36Å; T715-H718 VanDerWaalsContact OG1-ND1 3.13Å; D716-H718 VanDerWaalsContact C-N 3.29Å; D716-H718 PolarHBondContact O-N 3.32Å; H718-A721 PolarHBondContact O-N 2.87Å; H718-L722 WeakPolarHBondContact O-CB 3.44Å; H718-L722 WeakPolarHBondContact O-CG 3.41Å; H718-L722 PolarHBondContact O-N 3.03Å
719	L	40.1	Very low	37.3	Very low	63 Å²	63	78.1 Å²	78.1	33%	0.33	41%	0.408	S	S	.	.	H	α-helix	trans	-68.6	-44.2	178.8	-144.7	82.6	0	0	0	110.3	T715 D716 L722 V723	T715-L719 PolarHBondContact O-N 2.96Å; D716-L719 PolarHBondContact O-N 3.15Å; D716-L719 VanDerWaalsContact O-N 3.13Å; L719-L722 PolarHBondContact O-N 3.17Å; L719-V723 WeakPolarHBondContact O-CB 3.39Å; L719-V723 VanDerWaalsContact O-CG2 3.29Å; L719-V723 WeakPolarHBondContact O-CG2 3.29Å; L719-V723 PolarHBondContact O-N 3.18Å
720	D	38.9	Very low	37.9	Very low	80 Å²	80	77.4 Å²	77.4	43%	0.428	40%	0.397	S	S	.	.	H	α-helix	trans	-71.2	-32.1	175.5	-72.1	-36.4	0	0	0	112.3	D716 V723 E724 K1275	D716-D720 PolarHBondContact O-N 3.35Å; D720-V723 PolarHBondContact O-N 2.95Å; D720-E724 WeakPolarHBondContact O-CB 3.21Å; D720-E724 PolarHBondContact O-N 3.38Å; D720-K1275 IonicContact OD1-NZ 2.74Å; D720-K1275 PolarHBondContact OD1-NZ 2.97Å
721	A	37.5	Very low	38.1	Very low	50 Å²	50	78.6 Å²	78.6	41%	0.413	40%	0.401	S	S	.	.	H	α-helix	trans	-63.3	-41.9	170.4	0	0	0	0	0	112.6	V717 H718 E724 V725	V717-A721 WeakPolarHBondContact O-CB 3.17Å; V717-A721 PolarHBondContact O-N 3.47Å; V717-A721 VanDerWaalsContact O-N 3.16Å; H718-A721 PolarHBondContact O-N 2.87Å; A721-E724 PolarHBondContact O-N 3.45Å; A721-V725 WeakPolarHBondContact O-CB 3.45Å; A721-V725 VanDerWaalsContact O-CG2 3.27Å; A721-V725 WeakPolarHBondContact O-CG2 3.49Å; A721-V725 PolarHBondContact O-N 3.18Å
722	L	37.3	Very low	38.3	Very low	72 Å²	72	80.7 Å²	80.7	38%	0.377	41%	0.408	S	S	.	.	H	α-helix	trans	-67.9	-42.1	175.9	-79.1	164.7	0	0	0	112.1	H718 L719 E724 V725 N726	H718-L722 WeakPolarHBondContact O-CB 3.44Å; H718-L722 WeakPolarHBondContact O-CG 3.41Å; H718-L722 PolarHBondContact O-N 3.03Å; L719-L722 PolarHBondContact O-N 3.17Å; L722-E724 VanDerWaalsContact C-N 3.34Å; L722-V725 PolarHBondContact O-N 3.22Å; L722-N726 WeakPolarHBondContact O-CB 3.4Å; L722-N726 PolarHBondContact O-N 3.16Å
723	V	44.4	Very low	38.6	Very low	38 Å²	38	82.1 Å²	82.1	23%	0.23	42%	0.42	C	S	.	.	H	α-helix	trans	-65.2	-37.8	175.5	169.2	0	0	0	0	111.4	L719 D720 R727	L719-V723 WeakPolarHBondContact O-CB 3.39Å; L719-V723 VanDerWaalsContact O-CG2 3.29Å; L719-V723 WeakPolarHBondContact O-CG2 3.29Å; L719-V723 PolarHBondContact O-N 3.18Å; D720-V723 PolarHBondContact O-N 2.95Å; V723-R727 WeakPolarHBondContact O-CB 3.4Å; V723-R727 WeakPolarHBondContact O-CG 3.35Å; V723-R727 PolarHBondContact O-N 3.45Å
724	E	40.7	Very low	38.5	Very low	72 Å²	72	87.2 Å²	87.2	34%	0.336	45%	0.447	S	S	.	.	H	α-helix	trans	-72.9	-38.1	178.3	-177.6	61.1	-168.7	0	0	112.3	D720 A721 L722 R727 R728	D720-E724 WeakPolarHBondContact O-CB 3.21Å; D720-E724 PolarHBondContact O-N 3.38Å; A721-E724 PolarHBondContact O-N 3.45Å; L722-E724 VanDerWaalsContact C-N 3.34Å; E724-R727 PolarHBondContact O-N 2.89Å; E724-R728 VanDerWaalsContact O-CG 3.31Å; E724-R728 WeakPolarHBondContact O-CG 3.44Å; E724-R728 PolarHBondContact O-N 3.17Å; E724-R728 IonicContact OE1-CZ 2.67Å; E724-R728 IonicContact OE1-NE 3.69Å; E724-R728 PolarHBondContact OE1-NE 3.05Å; E724-R728 IonicContact OE1-NH2 2.65Å; E724-R728 PolarHBondContact OE1-NH2 3.05Å
725	V	41.9	Very low	38	Very low	76 Å²	76	94.4 Å²	94.4	46%	0.461	47%	0.473	S	S	.	.	H	α-helix	trans	-62.8	-45.3	171	167.2	0	0	0	0	110.8	A721 L722 R728 Y729	A721-V725 WeakPolarHBondContact O-CB 3.45Å; A721-V725 VanDerWaalsContact O-CG2 3.27Å; A721-V725 WeakPolarHBondContact O-CG2 3.49Å; A721-V725 PolarHBondContact O-N 3.18Å; L722-V725 PolarHBondContact O-N 3.22Å; V725-R728 PolarHBondContact O-N 3.35Å; V725-Y729 HydrophobicContact CG1-CD2 4.26Å; V725-Y729 PolarHBondContact O-N 2.94Å
726	N	38.2	Very low	37.8	Very low	65 Å²	65	98.6 Å²	98.6	35%	0.348	49%	0.493	S	S	.	.	H	α-helix	trans	-66.4	-38.2	176.1	-77.2	-5.4	0	0	0	112.3	L722 R728 Y729 I730	L722-N726 WeakPolarHBondContact O-CB 3.4Å; L722-N726 PolarHBondContact O-N 3.16Å; N726-R728 VanDerWaalsContact C-N 3.3Å; N726-R728 PolarHBondContact O-N 3.35Å; N726-Y729 PolarHBondContact O-N 3.11Å; N726-I730 WeakPolarHBondContact O-CB 3.4Å; N726-I730 VanDerWaalsContact O-CG1 3.26Å; N726-I730 WeakPolarHBondContact O-CG1 3.42Å; N726-I730 PolarHBondContact O-N 3.19Å
727	R	41.1	Very low	37.4	Very low	156 Å²	156	105.9 Å²	105.9	59%	0.589	52%	0.518	S	S	*	.	H	α-helix	trans	-59.3	-40.6	173	-87.3	178.4	169.8	175.3	-3.8	112.2	V723 E724 S731	V723-R727 WeakPolarHBondContact O-CB 3.4Å; V723-R727 WeakPolarHBondContact O-CG 3.35Å; V723-R727 PolarHBondContact O-N 3.45Å; E724-R727 PolarHBondContact O-N 2.89Å; R727-S731 WeakPolarHBondContact O-CB 3.38Å; R727-S731 PolarHBondContact O-N 2.95Å; R727-S731 PolarHBondContact O-OG 2.98Å
728	R	40.8	Very low	37.3	Very low	138 Å²	138	107.3 Å²	107.3	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-68.6	-51	176.3	-69.9	170.3	-166.7	-169.2	4.4	110.9	E724 V725 N726 I730 S731 E732	E724-R728 VanDerWaalsContact O-CG 3.31Å; E724-R728 WeakPolarHBondContact O-CG 3.44Å; E724-R728 PolarHBondContact O-N 3.17Å; E724-R728 IonicContact OE1-CZ 2.67Å; E724-R728 IonicContact OE1-NE 3.69Å; E724-R728 PolarHBondContact OE1-NE 3.05Å; E724-R728 IonicContact OE1-NH2 2.65Å; E724-R728 PolarHBondContact OE1-NH2 3.05Å; V725-R728 PolarHBondContact O-N 3.35Å; N726-R728 VanDerWaalsContact C-N 3.3Å; N726-R728 PolarHBondContact O-N 3.35Å; R728-I730 VanDerWaalsContact C-N 3.33Å; R728-I730 PolarHBondContact O-N 3.05Å; R728-S731 CarbonylContact O-C 3.5Å; R728-S731 PolarHBondContact O-N 3.19Å; R728-S731 VanDerWaalsContact O-N 3.11Å; R728-E732 WeakPolarHBondContact O-CB 3.33Å; R728-E732 VanDerWaalsContact O-CG 3.32Å; R728-E732 WeakPolarHBondContact O-CG 3.39Å; R728-E732 PolarHBondContact O-N 3.26Å
729	Y	40.1	Very low	37.2	Very low	167 Å²	167	109.5 Å²	109.5	66%	0.655	54%	0.536	S	S	*	.	H	α-helix	trans	-55.4	-44	176.9	-104.4	-90.2	0	0	0	113.2	V725 N726 E732 S733	V725-Y729 HydrophobicContact CG1-CD2 4.26Å; V725-Y729 PolarHBondContact O-N 2.94Å; N726-Y729 PolarHBondContact O-N 3.11Å; Y729-E732 PolarHBondContact O-N 2.91Å; Y729-S733 WeakPolarHBondContact O-CB 3.39Å; Y729-S733 PolarHBondContact O-N 2.78Å; Y729-S733 PolarHBondContact O-OG 3.32Å; Y729-S733 VanDerWaalsContact O-OG 3.08Å
730	I	39.7	Very low	36.8	Very low	79 Å²	79	114.4 Å²	114.4	41%	0.405	55%	0.554	S	S	.	*	H	α-helix	trans	-70.3	-40.9	177.4	-65.4	166.2	0	0	0	111	N726 R728 E732 S733 D734	N726-I730 WeakPolarHBondContact O-CB 3.4Å; N726-I730 VanDerWaalsContact O-CG1 3.26Å; N726-I730 WeakPolarHBondContact O-CG1 3.42Å; N726-I730 PolarHBondContact O-N 3.19Å; R728-I730 VanDerWaalsContact C-N 3.33Å; R728-I730 PolarHBondContact O-N 3.05Å; I730-E732 PolarHBondContact O-N 2.93Å; I730-S733 PolarHBondContact O-N 3.3Å; I730-S733 PolarHBondContact O-OG 2.69Å; I730-D734 PolarHBondContact O-N 2.74Å; I730-D734 VanDerWaalsContact O-N 3.11Å
731	S	35.9	Very low	36.4	Very low	59 Å²	59	119 Å²	119	41%	0.413	57%	0.573	S	S	.	*	H	α-helix	trans	-68.6	-22	176.8	-60.7	0	0	0	0	113.7	R727 R728 R735	R727-S731 WeakPolarHBondContact O-CB 3.38Å; R727-S731 PolarHBondContact O-N 2.95Å; R727-S731 PolarHBondContact O-OG 2.98Å; R728-S731 CarbonylContact O-C 3.5Å; R728-S731 PolarHBondContact O-N 3.19Å; R728-S731 VanDerWaalsContact O-N 3.11Å; S731-R735 WeakPolarHBondContact O-CD 3.38Å; S731-R735 WeakPolarHBondContact O-CG 3.45Å; S731-R735 PolarHBondContact O-NE 3.05Å
732	E	36.2	Very low	36.1	Very low	131 Å²	131	122.1 Å²	122.1	61%	0.612	59%	0.591	S	S	*	*	H	α-helix	trans	-92.5	-33.1	177.5	-71	169.2	174.6	0	0	111.1	R728 Y729 I730	R728-E732 WeakPolarHBondContact O-CB 3.33Å; R728-E732 VanDerWaalsContact O-CG 3.32Å; R728-E732 WeakPolarHBondContact O-CG 3.39Å; R728-E732 PolarHBondContact O-N 3.26Å; Y729-E732 PolarHBondContact O-N 2.91Å; I730-E732 PolarHBondContact O-N 2.93Å
733	S	37.6	Very low	35.6	Very low	81 Å²	81	123.8 Å²	123.8	57%	0.566	61%	0.609	S	S	*	*	H	α-helix	trans	-76.5	-35.3	177.1	65.2	0	0	0	0	114.6	Y729 I730 R735	Y729-S733 WeakPolarHBondContact O-CB 3.39Å; Y729-S733 PolarHBondContact O-N 2.78Å; Y729-S733 PolarHBondContact O-OG 3.32Å; Y729-S733 VanDerWaalsContact O-OG 3.08Å; I730-S733 PolarHBondContact O-N 3.3Å; I730-S733 PolarHBondContact O-OG 2.69Å; S733-R735 VanDerWaalsContact C-N 3.34Å
734	D	37.5	Very low	34.9	Very low	135 Å²	135	128.6 Å²	128.6	72%	0.722	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-1.4	-179.8	-83.4	-34.8	0	0	0	114.1	I730	I730-D734 PolarHBondContact O-N 2.74Å; I730-D734 VanDerWaalsContact O-N 3.11Å
735	R	32.1	Very low	34.4	Very low	199 Å²	199	130.2 Å²	130.2	75%	0.751	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-20.6	-177.5	-77.3	-173.7	-174.4	-152.2	-1.8	115.8	S731 S733 Y737	S731-R735 WeakPolarHBondContact O-CD 3.38Å; S731-R735 WeakPolarHBondContact O-CG 3.45Å; S731-R735 PolarHBondContact O-NE 3.05Å; S733-R735 VanDerWaalsContact C-N 3.34Å; R735-Y737 PolarHBondContact O-N 3.1Å
736	D	30.5	Very low	33.7	Very low	142 Å²	142	134.2 Å²	134.2	76%	0.759	68%	0.675	S	S	*	*	S	Bend	trans	-92.1	17.6	-171.4	-90.6	-4	0	0	0	115.3
737	Y	28.1	Very low	33.4	Very low	215 Å²	215	137.3 Å²	137.3	84%	0.843	70%	0.699	S	S	*	*	S	Bend	trans	-135.9	51.6	175.5	-93.3	-76.2	0	0	0	115.6	R735	R735-Y737 PolarHBondContact O-N 3.1Å
738	N	30.8	Very low	32.6	Very low	146 Å²	146	140.1 Å²	140.1	78%	0.781	71%	0.71	S	S	*	*	S	Bend	trans	-157.1	126.8	147.2	-103.3	-48.7	0	0	0	115.6
739	L	31.7	Very low	32.1	Very low	135 Å²	135	140 Å²	140	71%	0.707	72%	0.72	S	S	*	*			trans	26.9	109.9	156.3	-83.6	63.6	0	0	0	119.5
740	K	31	Very low	31.6	Very low	166 Å²	166	136.5 Å²	136.5	72%	0.722	72%	0.719	S	S	*	*				90	112.6	73.5	-86.8	-168.8	-168.1	176.2	0	114.6
741	H	31.4	Very low	31.1	Very low	178 Å²	178	141.2 Å²	141.2	82%	0.824	74%	0.74	S	S	*	*			trans	66.4	145.7	170.5	-45.7	-74.3	0	0	0	115.2
742	S	30.3	Very low	30.8	Very low	114 Å²	114	149.1 Å²	149.1	80%	0.797	76%	0.76	S	S	*	*			cis	-137.1	161.1	6.7	54.8	0	0	0	0	113
743	S	28.3	Very low	30.4	Very low	107 Å²	107	147 Å²	147	75%	0.748	76%	0.76	S	S	*	*			trans	-68.7	156.2	177.1	46.8	0	0	0	0	114.6
744	V	28.4	Very low	30	Very low	139 Å²	139	152.8 Å²	152.8	84%	0.842	77%	0.771	S	S	*	*				-170.1	161.4	113.7	144.8	0	0	0	0	110.6
745	S	30	Very low	29.4	Very low	106 Å²	106	153.8 Å²	153.8	74%	0.741	78%	0.775	S	S	*	*			trans	-74.8	158.9	-157.8	52.5	0	0	0	0	118.8
746	L	28.9	Very low	29.4	Very low	160 Å²	160	153.8 Å²	153.8	84%	0.838	78%	0.784	S	S	*	*			trans	-55.9	166.6	154	-62.6	163.8	0	0	0	111.7
747	P	30.2	Very low	29.3	Very low	131 Å²	131	152.4 Å²	152.4	85%	0.851	78%	0.78	S	S	*	*				-133.7	-170.2	102.3	39.1	-29.9	0	0	0	114.3
748	R	25.3	Very low	29.3	Very low	215 Å²	215	148.8 Å²	148.8	81%	0.811	78%	0.776	S	S	*	*			trans	-114.1	175.3	-159.3	-142.9	-170.7	-144.6	168.7	3.7	111.2
749	D	29.3	Very low	29.2	Very low	135 Å²	135	147 Å²	147	72%	0.722	77%	0.774	S	S	*	*			trans	71.6	144	155	-59.6	-31.1	0	0	0	117.3
750	S	29.8	Very low	29.1	Very low	93 Å²	93	150.6 Å²	150.6	65%	0.65	78%	0.779	S	S	*	*			cis	-164.2	165.4	-9.6	51.5	0	0	0	0	113.9
751	H	30.6	Very low	29.2	Very low	179 Å²	179	149.2 Å²	149.2	83%	0.829	78%	0.775	S	S	*	*			trans	66.1	132.6	143.4	-87.9	-62.3	0	0	0	123.3
752	R	29.2	Very low	29.2	Very low	224 Å²	224	147.7 Å²	147.7	85%	0.845	77%	0.773	S	S	*	*			trans	100	70.2	132.1	-151.2	169.4	-164.9	162.7	2.6	121.7
753	S	27.7	Very low	29.1	Very low	86 Å²	86	146.7 Å²	146.7	60%	0.601	77%	0.771	S	S	*	*				58.9	155.2	112.4	69.8	0	0	0	0	123.7
754	Y	28.1	Very low	29.2	Very low	204 Å²	204	148.7 Å²	148.7	80%	0.8	77%	0.773	S	S	*	*			trans	88.1	94.6	163	-74.5	-76.4	0	0	0	119
755	L	25.5	Very low	29.4	Very low	155 Å²	155	150.6 Å²	150.6	81%	0.812	77%	0.772	S	S	*	*				22.1	116.4	123.2	-61.4	171.6	0	0	0	117.2
756	Q	32.3	Very low	29.4	Very low	200 Å²	200	151.7 Å²	151.7	94%	0.935	77%	0.765	S	S	*	*			trans	-130.5	142.8	149.9	-148.5	166.5	10.3	0	0	108.9
757	T	29.3	Very low	29.4	Very low	112 Å²	112	150.5 Å²	150.5	69%	0.687	77%	0.769	S	S	*	*			trans	-111.3	150.7	-163.2	51	0	0	0	0	113.3
758	N	27.5	Very low	29.4	Very low	140 Å²	140	151 Å²	151	75%	0.749	76%	0.76	S	S	*	*			trans	68.8	105.2	151.3	-62	-7.1	0	0	0	119.2
759	S	28.1	Very low	29.7	Very low	107 Å²	107	149.1 Å²	149.1	75%	0.748	76%	0.764	S	S	*	*				90.2	151.6	114.5	76.1	0	0	0	0	121.3
760	R	30	Very low	29.8	Very low	211 Å²	211	150 Å²	150	80%	0.796	76%	0.764	S	S	*	*			trans	96.7	155.5	145.2	-113.3	178.2	153.7	113.8	1.8	120.2
761	E	33.1	Very low	29.8	Very low	137 Å²	137	150.6 Å²	150.6	64%	0.64	77%	0.768	S	S	*	*			trans	58	94.1	169.7	-81.8	95.7	-122.1	0	0	121.4
762	N	30.7	Very low	29.8	Very low	147 Å²	147	147.3 Å²	147.3	79%	0.786	77%	0.765	S	S	*	*				48.4	104.2	106.8	-61.6	-2.2	0	0	0	121.7
763	A	30	Very low	29.8	Very low	92 Å²	92	142.5 Å²	142.5	76%	0.76	76%	0.76	S	S	*	*				76.7	146.9	106.6	0	0	0	0	0	123.2
764	L	28.7	Very low	29.9	Very low	149 Å²	149	145.7 Å²	145.7	78%	0.78	77%	0.771	S	S	*	*			trans	69.6	105.6	159.6	-61.4	171.7	0	0	0	120.1
765	H	32.4	Very low	29.8	Very low	179 Å²	179	142 Å²	142	83%	0.829	77%	0.769	S	S	*	*				-165.7	120.5	105.3	-112.6	-98.3	0	0	0	108.5
766	H	31.1	Very low	30.1	Very low	129 Å²	129	139.8 Å²	139.8	60%	0.597	76%	0.764	S	S	*	*				68.1	112.8	74.2	-111.4	-90.8	0	0	0	115.7
767	C	29.3	Very low	30	Very low	136 Å²	136	136.7 Å²	136.7	92%	0.919	75%	0.754	S	S	*	*			trans	-144.9	137.8	150.2	-92	0	0	0	0	107.7
768	E	28.8	Very low	29.9	Very low	140 Å²	140	138.8 Å²	138.8	65%	0.654	76%	0.76	S	S	*	*			trans	-112.3	154.4	-168.6	-60.1	163.5	104.8	0	0	111.3
769	I	31.2	Very low	29.9	Very low	177 Å²	177	135.9 Å²	135.9	91%	0.908	76%	0.756	S	S	*	*			trans	-128.4	139.3	149.1	-63.2	-175.9	0	0	0	106.9
770	Q	33.2	Very low	29.8	Very low	154 Å²	154	136.2 Å²	136.2	72%	0.72	76%	0.758	S	S	*	*			trans	-102	153.1	-154.2	-61.6	170.7	-35.9	0	0	114
771	S	28.5	Very low	29.7	Very low	104 Å²	104	133.2 Å²	133.2	73%	0.727	76%	0.757	S	S	*	*			trans	23.1	127.4	148.1	61	0	0	0	0	120.6
772	S	30.5	Very low	29.4	Very low	111 Å²	111	134.8 Å²	134.8	78%	0.776	76%	0.761	S	S	*	*				-179.7	134.9	99.3	41.4	0	0	0	0	115.6
773	V	29.9	Very low	29.3	Very low	122 Å²	122	133.7 Å²	133.7	74%	0.739	76%	0.763	S	S	*	*			trans	41.9	93.4	134.3	-171.2	0	0	0	0	118.9
774	N	29.6	Very low	29.2	Very low	154 Å²	154	139 Å²	139	82%	0.824	76%	0.764	S	S	*	*				-179.2	150.3	102.8	-101	-36.4	0	0	0	113.7
775	V	26.8	Very low	29.1	Very low	125 Å²	125	139.2 Å²	139.2	76%	0.758	77%	0.766	S	S	*	*			trans	-108	154.8	162.7	-144.7	0	0	0	0	107
776	P	31.6	Very low	28.9	Very low	109 Å²	109	135.7 Å²	135.7	71%	0.708	76%	0.762	S	S	*	*				-150.9	146.7	92.2	38.6	-20.8	0	0	0	116.8
777	N	28.8	Very low	29	Very low	136 Å²	136	135.7 Å²	135.7	73%	0.727	77%	0.773	S	S	*	*			trans	65.8	131.5	133.7	-69.3	-14.4	0	0	0	124.4
778	L	28	Very low	29	Very low	155 Å²	155	134.9 Å²	134.9	81%	0.812	76%	0.764	S	S	*	*			trans	78	111.8	134	-93.1	66.2	0	0	0	121.9
779	A	28.3	Very low	29.2	Very low	80 Å²	80	135.7 Å²	135.7	66%	0.661	77%	0.772	S	S	*	*				83.6	116.4	117.3	0	0	0	0	0	121.7
780	S	25	Very low	29.3	Very low	113 Å²	113	133.1 Å²	133.1	79%	0.79	77%	0.767	S	S	*	*			trans	78.3	173.8	137.9	-59.7	0	0	0	0	119.2
781	L	27.8	Very low	29.3	Very low	148 Å²	148	130.9 Å²	130.9	78%	0.775	77%	0.766	S	S	*	*			trans	76.9	102.2	-179	-49.5	175.4	0	0	0	113.4
782	K	27	Very low	29.4	Very low	170 Å²	170	132.9 Å²	132.9	74%	0.739	77%	0.769	S	S	*	*				81.1	132.2	66.9	-78.9	-171.9	173.4	-176	0	113.4
783	P	28.1	Very low	29.4	Very low	125 Å²	125	133.3 Å²	133.3	81%	0.812	77%	0.772	S	S	*	*			trans	-73.6	155	171.4	34	-35.6	0	0	0	110.8
784	Y	28.1	Very low	29.6	Very low	203 Å²	203	131.8 Å²	131.8	80%	0.796	77%	0.766	S	S	*	*			trans	-138.6	138.6	178.3	-105.1	-88.1	0	0	0	113.7
785	N	28.1	Very low	29.6	Very low	153 Å²	153	135 Å²	135	82%	0.818	77%	0.768	S	S	*	*			trans	-91.3	171	166.6	-80.2	-33.7	0	0	0	111.1
786	S	27	Very low	29.9	Very low	105 Å²	105	131.9 Å²	131.9	73%	0.734	76%	0.762	S	S	*	*			trans	-27.7	145.1	171.6	-38.8	0	0	0	0	119
787	P	33.4	Very low	29.9	Very low	130 Å²	130	134.6 Å²	134.6	84%	0.844	77%	0.77	S	S	*	*			trans	-100	156.5	154.3	37.2	-30.2	0	0	0	112.7
788	T	29.5	Very low	30.1	Very low	119 Å²	119	132.3 Å²	132.3	73%	0.73	77%	0.77	S	S	*	*			trans	-143.4	122	-178.6	-56.5	0	0	0	0	112.5
789	L	32.9	Very low	30.1	Very low	157 Å²	157	132.2 Å²	132.2	82%	0.822	77%	0.766	S	S	*	*			trans	58.1	148	160.9	-66.6	170.6	0	0	0	120.6
790	P	33.1	Very low	30.5	Very low	122 Å²	122	134 Å²	134	79%	0.792	77%	0.771	S	S	*	*				-139.5	176.9	118.7	36.5	-22.2	0	0	0	114.3
791	P	34.1	Very low	30.6	Very low	108 Å²	108	134.6 Å²	134.6	70%	0.701	77%	0.765	S	S	*	*			trans	-122.1	-176.2	-163.9	43.4	-32.9	0	0	0	117.8
792	N	30	Very low	30.9	Very low	146 Å²	146	136.6 Å²	136.6	78%	0.781	77%	0.768	S	S	*	*			trans	100.6	137.3	152.3	-67.1	-19.5	0	0	0	123
793	S	31.1	Very low	30.9	Very low	120 Å²	120	134.3 Å²	134.3	84%	0.839	76%	0.763	S	S	*	*			trans	76.2	150.7	151.8	85.5	0	0	0	0	118.4
794	S	32.5	Very low	31.2	Very low	90 Å²	90	134.7 Å²	134.7	63%	0.629	76%	0.758	S	S	*	*			cis	-162.7	164.3	-10.8	-152.3	0	0	0	0	113.1
795	Y	31	Very low	31.3	Very low	220 Å²	220	133.2 Å²	133.2	86%	0.863	76%	0.759	S	S	*	*			trans	59.8	145.8	163	-63.2	-68.6	0	0	0	120.3
796	G	32.7	Very low	31.6	Very low	60 Å²	60	130 Å²	130	62%	0.619	75%	0.746	S	S	*	*			cis	165.6	162.2	-11.3	0	0	0	0	0	115.4
797	N	31.2	Very low	31.5	Very low	167 Å²	167	133 Å²	133	89%	0.893	75%	0.749	S	S	*	*			trans	66.9	151	161.2	-57.5	-15.8	0	0	0	118.8
798	A	32.8	Very low	31.2	Very low	88 Å²	88	133.7 Å²	133.7	73%	0.727	74%	0.741	S	S	*	*			cis	-151.7	155.4	-7.9	0	0	0	0	0	108
799	Q	29.6	Very low	31	Very low	152 Å²	152	133.3 Å²	133.3	71%	0.71	73%	0.733	S	S	*	*				55.4	143.3	61.4	-75.7	-75.7	-45.3	0	0	114.1
800	P	35.3	Very low	30.9	Very low	119 Å²	119	133 Å²	133	77%	0.773	73%	0.727	S	S	*	*			cis	-112.6	176.1	11.5	20.3	3.9	0	0	0	114
801	N	27.3	Very low	30.7	Very low	125 Å²	125	131.8 Å²	131.8	67%	0.668	71%	0.714	S	S	*	*			cis	91.6	149.5	21.9	-158.3	9.3	0	0	0	115.3
802	K	34.1	Very low	30.6	Very low	190 Å²	190	134.1 Å²	134.1	83%	0.826	71%	0.713	S	S	*	*			trans	85.7	147.3	-171.8	-65.5	-176.9	-177.7	-175.3	0	116.7
803	N	27.7	Very low	30.7	Very low	122 Å²	122	133.1 Å²	133.1	65%	0.652	71%	0.708	S	S	*	*			cis	-171.8	-178.4	-27.2	-130.2	53.5	0	0	0	109.3
804	D	34.4	Very low	30.7	Very low	132 Å²	132	134.7 Å²	134.7	71%	0.706	71%	0.706	S	S	*	*			trans	71.4	117.2	158.7	-47.6	-30.3	0	0	0	116
805	E	29.3	Very low	30.7	Very low	172 Å²	172	133.6 Å²	133.6	80%	0.804	70%	0.702	S	S	*	*				100.5	154.9	59.2	-82.8	-68	93.6	0	0	111.3
806	P	34.8	Very low	30.7	Very low	86 Å²	86	130.7 Å²	130.7	56%	0.558	70%	0.702	S	S	*	*				-123	-152	-123.4	42.7	-29.4	0	0	0	113.8
807	E	25.5	Very low	30.5	Very low	168 Å²	168	132.2 Å²	132.2	79%	0.785	70%	0.703	S	S	*	*			trans	68.5	162.1	167.1	-74	177.8	177.2	0	0	114.1
808	E	25.6	Very low	30.5	Very low	144 Å²	144	131.6 Å²	131.6	67%	0.673	70%	0.695	S	S	*	*			cis	-155.4	175.2	-6.9	-132.7	-167	154.1	0	0	109.7
809	I	26.7	Very low	30.3	Very low	112 Å²	112	131.8 Å²	131.8	57%	0.574	69%	0.691	S	S	*	*			trans	57.1	137.5	140.1	-75.8	176.5	0	0	0	122.1
810	H	29.9	Very low	30.6	Very low	150 Å²	150	129.7 Å²	129.7	69%	0.694	69%	0.69	S	S	*	*			trans	68.4	157	153.6	-79	-13.9	0	0	0	120.4
811	D	28.6	Very low	30.4	Very low	97 Å²	97	130.2 Å²	130.2	52%	0.519	69%	0.692	S	S	.	*			cis	-173.8	164.5	-28.3	-122	29.8	0	0	0	109.3
812	K	33.2	Very low	30.5	Very low	156 Å²	156	129.4 Å²	129.4	68%	0.678	69%	0.691	S	S	*	*			trans	65.6	155.3	147.7	-69.3	165.6	-176.4	115.2	0	116.4
813	N	30.7	Very low	30.3	Very low	126 Å²	126	127.9 Å²	127.9	67%	0.674	69%	0.687	S	S	*	*			cis	-164.6	167	-10.2	-118.3	-8.2	0	0	0	111.9
814	L	31.6	Very low	30.4	Very low	153 Å²	153	127.7 Å²	127.7	80%	0.801	69%	0.686	S	S	*	*			trans	66.6	144.1	152.9	-92.4	68.3	0	0	0	118.3
815	A	32.6	Very low	30.1	Very low	67 Å²	67	127.1 Å²	127.1	55%	0.554	68%	0.683	S	S	*	*			cis	-159.7	148.4	-8.6	0	0	0	0	0	112.1
816	N	30.7	Very low	30.1	Very low	159 Å²	159	124.5 Å²	124.5	85%	0.85	67%	0.674	S	S	*	*			trans	59.1	146.9	152.6	-47	-10.9	0	0	0	119
817	S	29.4	Very low	29.8	Very low	92 Å²	92	129.3 Å²	129.3	64%	0.643	69%	0.687	S	S	*	*			cis	-170	178.3	-25.3	65.9	0	0	0	0	106.7
818	E	30.4	Very low	29.9	Very low	153 Å²	153	124.7 Å²	124.7	72%	0.715	67%	0.673	S	S	*	*			cis	-149	148.3	-4.3	-116.2	143	113.2	0	0	106
819	S	28.8	Very low	30	Very low	93 Å²	93	129.2 Å²	129.2	65%	0.65	68%	0.684	S	S	*	*				51	156.9	73.9	-56.5	0	0	0	0	115.9	K359	K359-S819 PolarHBondContact NZ-O 2.78Å
820	P	35.7	Very low	30.1	Very low	107 Å²	107	132.5 Å²	132.5	70%	0.695	69%	0.694	S	S	*	*			cis	-96.7	-134.9	-10.8	40.2	-33.3	0	0	0	112.4	K359	K359-P820 PolarHBondContact NZ-O 3.42Å
821	T	30.5	Very low	30.3	Very low	131 Å²	131	129.9 Å²	129.9	80%	0.804	69%	0.691	S	S	*	*			trans	-108	-147.7	-150.8	47.3	0	0	0	0	114.3
822	V	30.7	Very low	30.3	Very low	108 Å²	108	131.6 Å²	131.6	66%	0.655	70%	0.7	S	S	*	*			cis	-166.1	151.1	20.2	83.8	0	0	0	0	114.5
823	Q	30.4	Very low	30.2	Very low	157 Å²	157	132.4 Å²	132.4	73%	0.734	71%	0.706	S	S	*	*			trans	27.7	153.6	145.5	-63.8	176.9	-6.1	0	0	123
824	N	28.7	Very low	30.2	Very low	119 Å²	119	130.9 Å²	130.9	64%	0.636	71%	0.705	S	S	*	*			cis	-171.1	153.3	-5.2	-107.2	4.6	0	0	0	111.9
825	N	27.5	Very low	30	Very low	120 Å²	120	130.4 Å²	130.4	64%	0.642	70%	0.703	S	S	*	*			trans	56.1	159.9	142.4	-60.1	45.9	0	0	0	120.5
826	D	29.5	Very low	29.7	Very low	117 Å²	117	136.4 Å²	136.4	63%	0.626	72%	0.717	S	S	*	*			cis	-167.8	179.8	-19.4	-97.6	-24.1	0	0	0	110.1
827	F	29.1	Very low	29.7	Very low	187 Å²	187	133.1 Å²	133.1	82%	0.82	71%	0.706	S	S	*	*			trans	83.4	92.7	156.4	-65.4	-69.7	0	0	0	122.6
828	S	27.8	Very low	29.7	Very low	71 Å²	71	134.4 Å²	134.4	50%	0.497	71%	0.711	S	S	.	*			trans	-23.6	154.2	138.6	61.8	0	0	0	0	119.4
829	R	27.6	Very low	29.6	Very low	238 Å²	238	136.4 Å²	136.4	90%	0.898	72%	0.717	S	S	*	*				176.3	147.8	97.8	-141.7	173.6	-158.3	170.6	7.3	116.7
830	F	28.3	Very low	29.8	Very low	181 Å²	181	141.6 Å²	141.6	79%	0.794	73%	0.731	S	S	*	*			trans	-73.1	-172	163.2	-91.5	-79.8	0	0	0	113.9
831	P	35.4	Very low	29.3	Very low	96 Å²	96	140.3 Å²	140.3	62%	0.623	74%	0.738	S	S	*	*			cis	-143.4	-177.7	-17.8	32	-8.4	0	0	0	117.8
832	D	28.1	Very low	29.4	Very low	132 Å²	132	139.8 Å²	139.8	71%	0.706	74%	0.74	S	S	*	*			trans	67	159.6	134.1	-75.2	-16.6	0	0	0	127.7
833	H	30.7	Very low	29.4	Very low	173 Å²	173	140.6 Å²	140.6	80%	0.801	75%	0.75	S	S	*	*			trans	89.6	138.6	161.9	-50.6	-48.6	0	0	0	118.4
834	S	30.8	Very low	29.5	Very low	94 Å²	94	137.3 Å²	137.3	66%	0.657	74%	0.744	S	S	*	*			cis	-169.7	144.2	-13	57.2	0	0	0	0	115.5
835	N	27.6	Very low	29.6	Very low	143 Å²	143	137 Å²	137	77%	0.765	75%	0.752	S	S	*	*			trans	67.3	136.9	136.6	-69.4	-21.3	0	0	0	125.6
836	F	27	Very low	29.8	Very low	193 Å²	193	138.6 Å²	138.6	85%	0.846	76%	0.755	S	S	*	*			trans	74.3	143.5	147.2	-88	-126.3	0	0	0	119.2
837	S	29.3	Very low	29.9	Very low	90 Å²	90	140 Å²	140	63%	0.629	76%	0.761	S	S	*	*			cis	-163.2	169.7	-4.2	72.4	0	0	0	0	115.3
838	T	30.1	Very low	30.1	Very low	119 Å²	119	137 Å²	137	73%	0.73	75%	0.751	S	S	*	*			trans	79	102.8	145.2	-49.6	0	0	0	0	121.9
839	F	28.2	Very low	30.5	Very low	195 Å²	195	137.3 Å²	137.3	86%	0.855	75%	0.752	S	S	*	*			trans	15.2	123.8	135.8	-86.9	-100.4	0	0	0	120.9
840	Q	32.1	Very low	31.2	Very low	202 Å²	202	130.8 Å²	130.8	94%	0.944	74%	0.738	S	S	*	*				-158.8	156	108.2	-105.9	173.2	39.7	0	0	110
841	G	26.3	Very low	32.2	Very low	81 Å²	81	127.6 Å²	127.6	84%	0.835	73%	0.733	S	S	*	*			trans	-121.5	156	-167.5	0	0	0	0	0	115
842	S	33.4	Very low	33.2	Very low	120 Å²	120	126.5 Å²	126.5	84%	0.839	72%	0.722	S	S	*	*			trans	-146.9	155.9	168.4	59.2	0	0	0	0	110.1
843	S	30.7	Very low	34.9	Very low	125 Å²	125	127.4 Å²	127.4	87%	0.874	72%	0.716	S	S	*	*			trans	-82.7	126.3	176.9	55.4	0	0	0	0	111.1
844	S	30.8	Very low	36.6	Very low	88 Å²	88	123.3 Å²	123.3	62%	0.615	70%	0.697	S	S	*	*			trans	-136.7	152.7	167.9	-167.5	0	0	0	0	111.2	E846	S844-E846 PolarHBondContact OG-OE1 3.06Å
845	S	31.1	Very low	38.5	Very low	113 Å²	113	125.9 Å²	125.9	79%	0.79	69%	0.692	S	S	*	*			trans	-103.2	110.8	174.9	55.3	0	0	0	0	109
846	E	31.3	Very low	40.5	Very low	152 Å²	152	123.4 Å²	123.4	71%	0.71	68%	0.679	S	S	*	*			trans	-123.7	107.8	-170.8	-56.5	-162.1	148.8	0	0	108.8	S844	S844-E846 PolarHBondContact OG-OE1 3.06Å
847	I	32.2	Very low	42.8	Very low	148 Å²	148	120.6 Å²	120.6	76%	0.759	66%	0.662	S	S	*	*				92.3	114	86.9	-77.1	157.5	0	0	0	109.6
848	M	33.1	Very low	45.2	Very low	123 Å²	123	121.6 Å²	121.6	61%	0.606	66%	0.657	S	S	*	*			trans	-67.9	149	169.4	-76.8	177.6	65.5	0	0	110.2	T850 D852	M848-T850 PolarHBondContact O-N 2.81Å; M848-D852 HydrophobicContact CE-CB 4.36Å
849	P	35.8	Very low	47.6	Very low	78 Å²	78	119.1 Å²	119.1	51%	0.506	64%	0.637	S	S	.	*			trans	-59.2	137.7	169.8	28	-35.1	0	0	0	110.1	V851 D852	P849-V851 PolarHBondContact O-N 2.73Å; P849-D852 WeakPolarHBondContact CG-OD2 3.42Å
850	T	43.3	Very low	50	Low	101 Å²	101	113.3 Å²	113.3	62%	0.62	62%	0.62	S	S	*	*	H	α-helix	trans	-63.3	-31.7	-178.4	43.8	0	0	0	0	112.6	M848 D852 R853 E854	M848-T850 PolarHBondContact O-N 2.81Å; T850-D852 VanDerWaalsContact C-N 3.32Å; T850-D852 PolarHBondContact O-N 2.74Å; T850-R853 WeakPolarHBondContact O-CA 3.49Å; T850-R853 WeakPolarHBondContact O-CB 3.35Å; T850-R853 PolarHBondContact O-N 3.12Å; T850-E854 PolarHBondContact O-N 3.19Å
851	V	49.3	Very low	52.6	Low	113 Å²	113	108.7 Å²	108.7	69%	0.685	60%	0.598	S	S	*	*	H	α-helix	trans	-53.4	-43.9	-177.8	-174.2	0	0	0	0	112.5	P849 R853 R855	P849-V851 PolarHBondContact O-N 2.73Å; V851-R853 PolarHBondContact O-N 3.41Å; V851-R855 WeakPolarHBondContact O-CB 3.25Å; V851-R855 PolarHBondContact O-N 3.31Å; V851-R855 VanDerWaalsContact O-N 3.1Å
852	D	56	Low	55.3	Low	73 Å²	73	108.9 Å²	108.9	39%	0.39	58%	0.578	S	S	.	*	H	α-helix	trans	-64.8	-29.8	177.2	-73.9	-34.5	0	0	0	112.6	M848 P849 T850 L856	M848-D852 HydrophobicContact CE-CB 4.36Å; P849-D852 WeakPolarHBondContact CG-OD2 3.42Å; T850-D852 VanDerWaalsContact C-N 3.32Å; T850-D852 PolarHBondContact O-N 2.74Å; D852-L856 VanDerWaalsContact O-CB 3.31Å; D852-L856 WeakPolarHBondContact O-CB 3.44Å; D852-L856 WeakPolarHBondContact O-CD1 3.4Å; D852-L856 VanDerWaalsContact O-CG 3.26Å; D852-L856 WeakPolarHBondContact O-CG 3.39Å; D852-L856 PolarHBondContact O-N 3.03Å
853	R	63.3	Low	57.8	Low	152 Å²	152	106.6 Å²	106.6	57%	0.574	56%	0.555	S	S	*	*	H	α-helix	trans	-81.4	-30	-172.9	-150.7	-157.8	69	170.8	-1.6	112.8	T850 V851 R857	T850-R853 WeakPolarHBondContact O-CA 3.49Å; T850-R853 WeakPolarHBondContact O-CB 3.35Å; T850-R853 PolarHBondContact O-N 3.12Å; V851-R853 PolarHBondContact O-N 3.41Å; R853-R857 WeakPolarHBondContact O-CG 3.12Å; R853-R857 PolarHBondContact O-N 3.14Å
854	E	68.2	Low	60.4	Low	87 Å²	87	105.1 Å²	105.1	41%	0.407	54%	0.535	S	S	.	.	H	α-helix	trans	-80.8	-32.1	169.7	-87.4	60.7	-111.2	0	0	111.5	T850 R857 H858	T850-E854 PolarHBondContact O-N 3.19Å; E854-R857 WeakPolarHBondContact O-CB 3.39Å; E854-R857 PolarHBondContact O-N 3.5Å; E854-H858 PolarHBondContact O-N 3.02Å; E854-H858 VanDerWaalsContact O-N 3.16Å
855	R	69.4	Low	63.1	Low	147 Å²	147	103.9 Å²	103.9	56%	0.555	53%	0.529	S	S	*	.	H	α-helix	trans	-59.2	-53.1	168	178.6	-180	170.7	161.1	5.7	112.1	V851 R857 H858 E859	V851-R855 WeakPolarHBondContact O-CB 3.25Å; V851-R855 PolarHBondContact O-N 3.31Å; V851-R855 VanDerWaalsContact O-N 3.1Å; R855-R857 PolarHBondContact O-N 3.42Å; R855-H858 PolarHBondContact O-N 3.38Å; R855-E859 IonicContact CZ-OE1 3.63Å; R855-E859 VanDerWaalsContact CZ-OE1 3.28Å; R855-E859 IonicContact NE-OE1 2.73Å; R855-E859 PolarHBondContact NE-OE1 3.3Å; R855-E859 IonicContact NH2-OE1 3.54Å; R855-E859 PolarHBondContact NH2-OE1 2.91Å; R855-E859 PolarHBondContact O-N 3.19Å
856	L	69.3	Low	65.7	Low	92 Å²	92	100.6 Å²	100.6	48%	0.482	51%	0.505	S	S	.	.	H	α-helix	trans	-63.7	-20.2	178	-75.1	166.8	0	0	0	113.4	D852 C860	D852-L856 VanDerWaalsContact O-CB 3.31Å; D852-L856 WeakPolarHBondContact O-CB 3.44Å; D852-L856 WeakPolarHBondContact O-CD1 3.4Å; D852-L856 VanDerWaalsContact O-CG 3.26Å; D852-L856 WeakPolarHBondContact O-CG 3.39Å; D852-L856 PolarHBondContact O-N 3.03Å; L856-C860 WeakPolarHBondContact O-CB 3.47Å; L856-C860 PolarHBondContact O-N 2.95Å; L856-C860 PolarHBondContact O-SG 3.5Å
857	R	75.9	Confident	68.3	Low	134 Å²	134	97.8 Å²	97.8	51%	0.506	50%	0.498	S	S	.	.	H	α-helix	trans	-71.1	-49.6	168.8	-89	177.5	150.2	-80.6	6.8	111.4	R853 E854 R855 E859 C860 E861	R853-R857 WeakPolarHBondContact O-CG 3.12Å; R853-R857 PolarHBondContact O-N 3.14Å; E854-R857 WeakPolarHBondContact O-CB 3.39Å; E854-R857 PolarHBondContact O-N 3.5Å; R855-R857 PolarHBondContact O-N 3.42Å; R857-E859 PolarHBondContact O-N 2.89Å; R857-C860 PolarHBondContact O-N 3.45Å; R857-C860 VanDerWaalsContact O-N 3.16Å; R857-E861 IonicContact NH1-OE1 2.78Å; R857-E861 PolarHBondContact NH1-OE1 2.81Å; R857-E861 WeakPolarHBondContact O-CB 3.38Å; R857-E861 VanDerWaalsContact O-CG 3.31Å; R857-E861 WeakPolarHBondContact O-CG 3.31Å; R857-E861 PolarHBondContact O-N 3.21Å
858	H	79.5	Confident	70.9	Confident	111 Å²	111	93.5 Å²	93.5	51%	0.514	49%	0.485	S	S	.	.	H	α-helix	trans	-59.1	-47.3	178.7	-160.4	-79.3	0	0	0	111.2	E854 R855 C860 E861 E862	E854-H858 PolarHBondContact O-N 3.02Å; E854-H858 VanDerWaalsContact O-N 3.16Å; R855-H858 PolarHBondContact O-N 3.38Å; H858-C860 VanDerWaalsContact C-N 3.27Å; H858-C860 PolarHBondContact O-N 2.81Å; H858-E861 PolarHBondContact O-N 3.09Å; H858-E861 VanDerWaalsContact O-N 3.11Å; H858-E862 IonicContact CE1-OE1 2.97Å; H858-E862 PolarHBondContact CE1-OE1 3Å; H858-E862 VanDerWaalsContact CE1-OE1 3.3Å; H858-E862 IonicContact CE1-OE2 3.57Å; H858-E862 PolarHBondContact CE1-OE2 3.46Å; H858-E862 IonicContact ND1-OE1 2.76Å; H858-E862 IonicContact ND1-OE2 3.2Å; H858-E862 PolarHBondContact ND1-OE2 3.11Å; H858-E862 WeakPolarHBondContact O-CG 3.39Å; H858-E862 PolarHBondContact O-N 3.22Å
859	E	80	Confident	73.5	Confident	66 Å²	66	90.1 Å²	90.1	31%	0.308	48%	0.476	S	S	.	.	H	α-helix	trans	-61.3	-33.1	177.4	-67.7	173.7	171.8	0	0	112.3	R855 R857 L863	R855-E859 IonicContact CZ-OE1 3.63Å; R855-E859 VanDerWaalsContact CZ-OE1 3.28Å; R855-E859 IonicContact NE-OE1 2.73Å; R855-E859 PolarHBondContact NE-OE1 3.3Å; R855-E859 IonicContact NH2-OE1 3.54Å; R855-E859 PolarHBondContact NH2-OE1 2.91Å; R855-E859 PolarHBondContact O-N 3.19Å; R857-E859 PolarHBondContact O-N 2.89Å; E859-L863 WeakPolarHBondContact O-CB 3.36Å; E859-L863 WeakPolarHBondContact O-CD1 3.33Å; E859-L863 VanDerWaalsContact O-CG 3.27Å; E859-L863 WeakPolarHBondContact O-CG 3.48Å; E859-L863 PolarHBondContact O-N 2.85Å
860	C	79.2	Confident	76	Confident	74 Å²	74	90 Å²	90	50%	0.5	47%	0.471	S	S	.	.	H	α-helix	trans	-74.2	-40.8	171.4	-83.2	0	0	0	0	113.5	L856 R857 H858 E862 L863 E864	L856-C860 WeakPolarHBondContact O-CB 3.47Å; L856-C860 PolarHBondContact O-N 2.95Å; L856-C860 PolarHBondContact O-SG 3.5Å; R857-C860 PolarHBondContact O-N 3.45Å; R857-C860 VanDerWaalsContact O-N 3.16Å; H858-C860 VanDerWaalsContact C-N 3.27Å; H858-C860 PolarHBondContact O-N 2.81Å; C860-E862 VanDerWaalsContact C-N 3.34Å; C860-L863 PolarHBondContact O-N 2.55Å; C860-E864 PolarHBondContact O-N 2.68Å
861	E	86	Confident	78.1	Confident	105 Å²	105	90.3 Å²	90.3	49%	0.491	47%	0.465	S	S	.	.	H	α-helix	trans	-68.5	-34.5	-178.9	-72.3	166.1	-155.3	0	0	110.9	R857 H858 A865	R857-E861 IonicContact NH1-OE1 2.78Å; R857-E861 PolarHBondContact NH1-OE1 2.81Å; R857-E861 WeakPolarHBondContact O-CB 3.38Å; R857-E861 VanDerWaalsContact O-CG 3.31Å; R857-E861 WeakPolarHBondContact O-CG 3.31Å; R857-E861 PolarHBondContact O-N 3.21Å; H858-E861 PolarHBondContact O-N 3.09Å; H858-E861 VanDerWaalsContact O-N 3.11Å; E861-A865 WeakPolarHBondContact O-CB 3.49Å; E861-A865 PolarHBondContact O-N 3.21Å
862	E	84.2	Confident	79.9	Confident	85 Å²	85	92.3 Å²	92.3	40%	0.397	47%	0.465	S	S	.	.	H	α-helix	trans	-66.6	-44.1	169.1	-72.7	175.2	128.1	0	0	112.5	H858 C860 A865 V866	H858-E862 IonicContact CE1-OE1 2.97Å; H858-E862 PolarHBondContact CE1-OE1 3Å; H858-E862 VanDerWaalsContact CE1-OE1 3.3Å; H858-E862 IonicContact CE1-OE2 3.57Å; H858-E862 PolarHBondContact CE1-OE2 3.46Å; H858-E862 IonicContact ND1-OE1 2.76Å; H858-E862 IonicContact ND1-OE2 3.2Å; H858-E862 PolarHBondContact ND1-OE2 3.11Å; H858-E862 WeakPolarHBondContact O-CG 3.39Å; H858-E862 PolarHBondContact O-N 3.22Å; C860-E862 VanDerWaalsContact C-N 3.34Å; E862-A865 WeakPolarHBondContact O-CB 3.46Å; E862-A865 PolarHBondContact O-N 2.9Å; E862-V866 WeakPolarHBondContact O-CG2 3.32Å; E862-V866 PolarHBondContact O-N 3.44Å
863	L	84.9	Confident	81.3	Confident	71 Å²	71	93.1 Å²	93.1	37%	0.372	47%	0.466	S	S	.	.	H	α-helix	trans	-65.3	-40.5	176.7	-77.8	170	0	0	0	112.6	E859 C860 A865 V866 V867	E859-L863 WeakPolarHBondContact O-CB 3.36Å; E859-L863 WeakPolarHBondContact O-CD1 3.33Å; E859-L863 VanDerWaalsContact O-CG 3.27Å; E859-L863 WeakPolarHBondContact O-CG 3.48Å; E859-L863 PolarHBondContact O-N 2.85Å; C860-L863 PolarHBondContact O-N 2.55Å; L863-A865 VanDerWaalsContact C-N 3.32Å; L863-A865 PolarHBondContact O-N 3.06Å; L863-V866 PolarHBondContact O-N 2.85Å; L863-V867 WeakPolarHBondContact O-CG2 3.46Å; L863-V867 PolarHBondContact O-N 2.72Å
864	E	85.8	Confident	82.2	Confident	95 Å²	95	91.5 Å²	91.5	44%	0.444	47%	0.468	S	S	.	.	H	α-helix	trans	-66.1	-34.4	174.2	-71.5	-164.5	140.7	0	0	111.5	S433 C860 A868	S433-E864 WeakPolarHBondContact CB-OE1 3.28Å; S433-E864 PolarHBondContact OG-OE1 3.12Å; C860-E864 PolarHBondContact O-N 2.68Å; E864-A868 WeakPolarHBondContact O-CB 3.49Å; E864-A868 PolarHBondContact O-N 3.26Å
865	A	87.7	Confident	82.9	Confident	61 Å²	61	92 Å²	92	50%	0.504	47%	0.471	S	S	.	.	H	α-helix	trans	-66.6	-41.6	172.4	0	0	0	0	0	113.1	E861 E862 L863 A868 A869	E861-A865 WeakPolarHBondContact O-CB 3.49Å; E861-A865 PolarHBondContact O-N 3.21Å; E862-A865 WeakPolarHBondContact O-CB 3.46Å; E862-A865 PolarHBondContact O-N 2.9Å; L863-A865 VanDerWaalsContact C-N 3.32Å; L863-A865 PolarHBondContact O-N 3.06Å; A865-A868 PolarHBondContact O-N 2.95Å; A865-A869 WeakPolarHBondContact O-CB 3.1Å; A865-A869 PolarHBondContact O-N 2.95Å
866	V	84.6	Confident	83.5	Confident	45 Å²	45	87.6 Å²	87.6	27%	0.273	47%	0.466	S	S	.	.	H	α-helix	trans	-64.6	-43.3	175.4	170.4	0	0	0	0	111.2	E862 L863 A869 L870 V955	E862-V866 WeakPolarHBondContact O-CG2 3.32Å; E862-V866 PolarHBondContact O-N 3.44Å; L863-V866 PolarHBondContact O-N 2.85Å; V866-A869 PolarHBondContact O-N 3.41Å; V866-L870 HydrophobicContact CG1-CD1 4Å; V866-L870 WeakPolarHBondContact O-CB 3.46Å; V866-L870 WeakPolarHBondContact O-CG 3.38Å; V866-L870 PolarHBondContact O-N 3.08Å; V866-V955 HydrophobicContact CG1-CG1 4.37Å
867	V	86.4	Confident	83.9	Confident	92 Å²	92	88.9 Å²	88.9	56%	0.558	47%	0.469	S	S	*	.	H	α-helix	trans	-62.9	-42.9	175.8	170.8	0	0	0	0	111.2	L863 A869 L870 Q871	L863-V867 WeakPolarHBondContact O-CG2 3.46Å; L863-V867 PolarHBondContact O-N 2.72Å; V867-A869 PolarHBondContact O-N 2.95Å; V867-L870 PolarHBondContact O-N 3.43Å; V867-Q871 WeakPolarHBondContact O-CB 3.38Å; V867-Q871 PolarHBondContact O-N 2.85Å
868	A	88	Confident	83.8	Confident	59 Å²	59	84.9 Å²	84.9	49%	0.488	47%	0.465	S	S	.	.	H	α-helix	trans	-64.2	-38.2	175.9	0	0	0	0	0	112.7	E864 A865 K872	E864-A868 WeakPolarHBondContact O-CB 3.49Å; E864-A868 PolarHBondContact O-N 3.26Å; A865-A868 PolarHBondContact O-N 2.95Å; A868-K872 WeakPolarHBondContact O-CB 3.33Å; A868-K872 PolarHBondContact O-N 3.25Å
869	A	87.3	Confident	83.5	Confident	52 Å²	52	86.5 Å²	86.5	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-66.1	-44.5	175.7	0	0	0	0	0	112.2	A865 V866 V867 K872 Q873	A865-A869 WeakPolarHBondContact O-CB 3.1Å; A865-A869 PolarHBondContact O-N 2.95Å; V866-A869 PolarHBondContact O-N 3.41Å; V867-A869 PolarHBondContact O-N 2.95Å; A869-K872 PolarHBondContact O-N 3.16Å; A869-Q873 PolarHBondContact O-N 3.07Å
870	L	87	Confident	83.1	Confident	75 Å²	75	91.8 Å²	91.8	39%	0.393	50%	0.502	S	S	.	.	H	α-helix	trans	-64.9	-41.9	176.3	-73.6	171.2	0	0	0	112.1	V866 V867 K872 Q873 L874	V866-L870 HydrophobicContact CG1-CD1 4Å; V866-L870 WeakPolarHBondContact O-CB 3.46Å; V866-L870 WeakPolarHBondContact O-CG 3.38Å; V866-L870 PolarHBondContact O-N 3.08Å; V867-L870 PolarHBondContact O-N 3.43Å; L870-K872 VanDerWaalsContact C-N 3.34Å; L870-K872 PolarHBondContact O-N 2.8Å; L870-Q873 PolarHBondContact O-N 3.1Å; L870-L874 PolarHBondContact O-N 2.79Å
871	Q	87.9	Confident	82.6	Confident	108 Å²	108	91.4 Å²	91.4	51%	0.505	50%	0.495	S	S	.	.	H	α-helix	trans	-62.3	-42	174.1	-179.3	169.8	-27.9	0	0	111.2	V867 Q873 L874 E875	V867-Q871 WeakPolarHBondContact O-CB 3.38Å; V867-Q871 PolarHBondContact O-N 2.85Å; Q871-Q873 VanDerWaalsContact C-N 3.31Å; Q871-Q873 PolarHBondContact O-N 2.97Å; Q871-L874 WeakPolarHBondContact O-CB 3.41Å; Q871-L874 PolarHBondContact O-N 2.98Å; Q871-L874 VanDerWaalsContact O-N 3.12Å; Q871-E875 HydrophobicContact CG-CG 4.39Å; Q871-E875 WeakPolarHBondContact CG-OE1 3.43Å; Q871-E875 PolarHBondContact NE2-OE1 2.89Å; Q871-E875 WeakPolarHBondContact O-CG 3.43Å; Q871-E875 PolarHBondContact O-N 2.78Å
872	K	88.2	Confident	81.7	Confident	155 Å²	155	89.4 Å²	89.4	67%	0.674	49%	0.492	S	S	*	.	H	α-helix	trans	-66.2	-30.4	176.4	-168	171.4	-177.2	176	0	113.3	A868 A869 L870 A876	A868-K872 WeakPolarHBondContact O-CB 3.33Å; A868-K872 PolarHBondContact O-N 3.25Å; A869-K872 PolarHBondContact O-N 3.16Å; L870-K872 VanDerWaalsContact C-N 3.34Å; L870-K872 PolarHBondContact O-N 2.8Å; K872-A876 WeakPolarHBondContact O-CB 3.34Å; K872-A876 PolarHBondContact O-N 3.05Å
873	Q	85.1	Confident	80.9	Confident	89 Å²	89	91 Å²	91	42%	0.416	51%	0.51	S	S	.	.	H	α-helix	trans	-68.3	-40.1	169.3	-79.9	-172.7	-101.7	0	0	112.3	A869 L870 Q871 A876 Q877	A869-Q873 PolarHBondContact O-N 3.07Å; L870-Q873 PolarHBondContact O-N 3.1Å; Q871-Q873 VanDerWaalsContact C-N 3.31Å; Q871-Q873 PolarHBondContact O-N 2.97Å; Q873-A876 PolarHBondContact O-N 2.89Å; Q873-Q877 WeakPolarHBondContact O-CB 3.19Å; Q873-Q877 WeakPolarHBondContact O-CG 3.3Å; Q873-Q877 PolarHBondContact O-N 3.39Å
874	L	81.1	Confident	79.9	Confident	119 Å²	119	97.6 Å²	97.6	62%	0.623	53%	0.53	S	S	*	.	H	α-helix	trans	-66.3	-39.4	175.6	-74.7	165.3	0	0	0	112.1	L870 Q871 Q877 A878	L870-L874 PolarHBondContact O-N 2.79Å; Q871-L874 WeakPolarHBondContact O-CB 3.41Å; Q871-L874 PolarHBondContact O-N 2.98Å; Q871-L874 VanDerWaalsContact O-N 3.12Å; L874-Q877 PolarHBondContact O-N 2.9Å; L874-A878 WeakPolarHBondContact O-CB 3.46Å; L874-A878 PolarHBondContact O-N 3.09Å
875	E	82.9	Confident	78.9	Confident	97 Å²	97	94.5 Å²	94.5	45%	0.453	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-46	174.2	-72.5	167.7	-177.7	0	0	111.1	Q871 Q877 A878 D879	Q871-E875 HydrophobicContact CG-CG 4.39Å; Q871-E875 WeakPolarHBondContact CG-OE1 3.43Å; Q871-E875 PolarHBondContact NE2-OE1 2.89Å; Q871-E875 WeakPolarHBondContact O-CG 3.43Å; Q871-E875 PolarHBondContact O-N 2.78Å; E875-Q877 VanDerWaalsContact C-N 3.34Å; E875-Q877 PolarHBondContact O-N 3.3Å; E875-A878 WeakPolarHBondContact O-CA 3.47Å; E875-A878 WeakPolarHBondContact O-CB 3.37Å; E875-A878 PolarHBondContact O-N 3.12Å; E875-D879 PolarHBondContact O-N 3.24Å
876	A	82.4	Confident	77.7	Confident	55 Å²	55	93.7 Å²	93.7	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-62.2	-37.5	174.9	0	0	0	0	0	113.1	K872 Q873 A878 D879 E880	K872-A876 WeakPolarHBondContact O-CB 3.34Å; K872-A876 PolarHBondContact O-N 3.05Å; Q873-A876 PolarHBondContact O-N 2.89Å; A876-A878 VanDerWaalsContact C-N 3.32Å; A876-D879 PolarHBondContact O-N 3.01Å; A876-E880 PolarHBondContact O-N 3.37Å
877	Q	77.9	Confident	76.5	Confident	119 Å²	119	93.5 Å²	93.5	56%	0.556	51%	0.511	S	S	*	.	H	α-helix	trans	-72.9	-22.8	173.3	-73.9	-172.9	-20.1	0	0	113.2	Q873 L874 E875 L881	Q873-Q877 WeakPolarHBondContact O-CB 3.19Å; Q873-Q877 WeakPolarHBondContact O-CG 3.3Å; Q873-Q877 PolarHBondContact O-N 3.39Å; L874-Q877 PolarHBondContact O-N 2.9Å; E875-Q877 VanDerWaalsContact C-N 3.34Å; E875-Q877 PolarHBondContact O-N 3.3Å; Q877-L881 WeakPolarHBondContact O-CD1 3.27Å; Q877-L881 WeakPolarHBondContact O-CG 3.4Å
878	A	72.8	Confident	75.3	Confident	49 Å²	49	95.7 Å²	95.7	41%	0.405	52%	0.515	S	S	.	.	H	α-helix	trans	-73	-35.3	171.4	0	0	0	0	0	112.2	L874 E875 A876 L881	L874-A878 WeakPolarHBondContact O-CB 3.46Å; L874-A878 PolarHBondContact O-N 3.09Å; E875-A878 WeakPolarHBondContact O-CA 3.47Å; E875-A878 WeakPolarHBondContact O-CB 3.37Å; E875-A878 PolarHBondContact O-N 3.12Å; A876-A878 VanDerWaalsContact C-N 3.32Å; A878-L881 PolarHBondContact O-N 3.13Å
879	D	74.8	Confident	74	Confident	146 Å²	146	96.8 Å²	96.8	78%	0.781	51%	0.512	S	S	*	.	H	α-helix	trans	-72.6	-30.6	177	-75.8	-24.5	0	0	0	113.3	E875 A876 L881	E875-D879 PolarHBondContact O-N 3.24Å; A876-D879 PolarHBondContact O-N 3.01Å; D879-L881 VanDerWaalsContact C-N 3.28Å; D879-L881 PolarHBondContact O-N 2.86Å
880	E	72	Confident	72.5	Confident	177 Å²	177	99.7 Å²	99.7	83%	0.827	52%	0.519	S	S	*	.	S	Bend	trans	-74.4	-15.6	173.1	-71.8	-166.2	165.3	0	0	113.6	A876 S882	A876-E880 PolarHBondContact O-N 3.37Å; E880-S882 PolarHBondContact O-N 2.97Å
881	L	67.8	Low	70.9	Confident	66 Å²	66	103.9 Å²	103.9	35%	0.346	54%	0.535	S	S	.	.	S	Bend	trans	-76.3	117	177.3	-77.1	162.5	0	0	0	110.8	Q877 A878 D879 T886 I889	Q877-L881 WeakPolarHBondContact O-CD1 3.27Å; Q877-L881 WeakPolarHBondContact O-CG 3.4Å; A878-L881 PolarHBondContact O-N 3.13Å; D879-L881 VanDerWaalsContact C-N 3.28Å; D879-L881 PolarHBondContact O-N 2.86Å; L881-T886 WeakPolarHBondContact CB-OG1 3.3Å; L881-T886 PolarHBondContact O-OG1 3.3Å; L881-I889 HydrophobicContact CD1-CD1 3.49Å; L881-I889 VanDerWaalsContact CD1-CD1 3.49Å; L881-I889 HydrophobicContact CD2-CD1 3.82Å; L881-I889 HydrophobicContact CG-CD1 4.28Å
882	S	66.1	Low	69.5	Low	63 Å²	63	102.6 Å²	102.6	44%	0.441	54%	0.537	S	S	.	.			trans	-55.9	150.2	175.7	81	0	0	0	0	111.9	E880 R884 S885 T886	E880-S882 PolarHBondContact O-N 2.97Å; S882-R884 CarbonylContact O-C 3.54Å; S882-R884 PolarHBondContact O-N 2.91Å; S882-S885 PolarHBondContact N-OG 2.79Å; S882-S885 PolarHBondContact O-N 3.16Å; S882-S885 PolarHBondContact O-OG 3.19Å; S882-S885 PolarHBondContact OG-N 2.73Å; S882-S885 PolarHBondContact OG-OG 3.08Å; S882-T886 PolarHBondContact O-N 3.34Å; S882-T886 PolarHBondContact O-OG1 2.98Å
883	P	67.2	Low	67.2	Low	118 Å²	118	97 Å²	97	77%	0.766	52%	0.52	S	S	*	.	H	α-helix	trans	-55.7	-19.6	-178.4	-29	35.7	0	0	0	115.6	A887	P883-A887 WeakPolarHBondContact O-CB 3.31Å; P883-A887 PolarHBondContact O-N 2.99Å
884	R	64.5	Low	64.8	Low	209 Å²	209	95.4 Å²	95.4	79%	0.789	52%	0.518	S	S	*	.	H	α-helix	trans	-76.3	-50.8	171.4	-75.2	-177.9	172.3	154.5	-0.4	112.1	S882 T886 A887 E888	S882-R884 CarbonylContact O-C 3.54Å; S882-R884 PolarHBondContact O-N 2.91Å; R884-T886 PolarHBondContact O-N 3.18Å; R884-A887 CarbonylContact O-C 3.39Å; R884-A887 PolarHBondContact O-N 3.18Å; R884-E888 WeakPolarHBondContact O-CG 3.48Å; R884-E888 PolarHBondContact O-N 2.89Å
885	S	64.2	Low	62.5	Low	30 Å²	30	95.3 Å²	95.3	21%	0.21	52%	0.522	C	S	.	.	H	α-helix	trans	-63.8	-38.4	177.4	35.9	0	0	0	0	112	S882 A887 E888 I889	S882-S885 PolarHBondContact N-OG 2.79Å; S882-S885 PolarHBondContact O-N 3.16Å; S882-S885 PolarHBondContact O-OG 3.19Å; S882-S885 PolarHBondContact OG-N 2.73Å; S882-S885 PolarHBondContact OG-OG 3.08Å; S885-A887 VanDerWaalsContact C-N 3.34Å; S885-A887 PolarHBondContact O-N 3.39Å; S885-E888 PolarHBondContact O-N 2.98Å; S885-E888 VanDerWaalsContact O-N 3.15Å; S885-I889 WeakPolarHBondContact O-CG1 3.4Å; S885-I889 PolarHBondContact O-N 2.75Å
886	T	64	Low	60.1	Low	45 Å²	45	99.1 Å²	99.1	28%	0.276	54%	0.54	S	S	.	.	H	α-helix	trans	-64.2	-39.7	173.2	-36.7	0	0	0	0	111.1	L881 S882 R884 E888 I889 L890	L881-T886 WeakPolarHBondContact CB-OG1 3.3Å; L881-T886 PolarHBondContact O-OG1 3.3Å; S882-T886 PolarHBondContact O-N 3.34Å; S882-T886 PolarHBondContact O-OG1 2.98Å; R884-T886 PolarHBondContact O-N 3.18Å; T886-E888 VanDerWaalsContact C-N 3.31Å; T886-E888 PolarHBondContact O-N 3.28Å; T886-I889 PolarHBondContact O-N 3.04Å; T886-L890 HydrophobicContact CG2-CD1 4.27Å; T886-L890 WeakPolarHBondContact O-CB 3.29Å; T886-L890 VanDerWaalsContact O-CG 3.27Å; T886-L890 WeakPolarHBondContact O-CG 3.5Å; T886-L890 PolarHBondContact O-N 3.15Å
887	A	59.3	Low	57.8	Low	41 Å²	41	101.9 Å²	101.9	34%	0.339	55%	0.553	S	S	.	*	H	α-helix	trans	-73.1	-16	174.2	0	0	0	0	0	114.5	P883 R884 S885 K891	P883-A887 WeakPolarHBondContact O-CB 3.31Å; P883-A887 PolarHBondContact O-N 2.99Å; R884-A887 CarbonylContact O-C 3.39Å; R884-A887 PolarHBondContact O-N 3.18Å; S885-A887 VanDerWaalsContact C-N 3.34Å; S885-A887 PolarHBondContact O-N 3.39Å; A887-K891 WeakPolarHBondContact O-CB 3.35Å; A887-K891 VanDerWaalsContact O-CD 3.28Å; A887-K891 WeakPolarHBondContact O-CD 3.32Å; A887-K891 WeakPolarHBondContact O-CG 3.44Å; A887-K891 PolarHBondContact O-N 3.1Å
888	E	60.1	Low	55.6	Low	137 Å²	137	104.4 Å²	104.4	64%	0.64	57%	0.57	S	S	*	*	H	α-helix	trans	-84.4	-39.9	169.8	-74.5	177.8	140.9	0	0	111.1	R884 S885 T886 K891 S892	R884-E888 WeakPolarHBondContact O-CG 3.48Å; R884-E888 PolarHBondContact O-N 2.89Å; S885-E888 PolarHBondContact O-N 2.98Å; S885-E888 VanDerWaalsContact O-N 3.15Å; T886-E888 VanDerWaalsContact C-N 3.31Å; T886-E888 PolarHBondContact O-N 3.28Å; E888-K891 WeakPolarHBondContact O-CB 3.45Å; E888-K891 PolarHBondContact O-N 2.84Å; E888-S892 PolarHBondContact O-N 3.27Å; E888-S892 VanDerWaalsContact O-N 3.11Å
889	I	61.3	Low	53.8	Low	82 Å²	82	109.6 Å²	109.6	42%	0.421	59%	0.591	S	S	.	*	H	α-helix	trans	-64.2	-47.2	173.7	-69.2	162	0	0	0	110.6	L881 S885 T886 K891 S892 A893	L881-I889 HydrophobicContact CD1-CD1 3.49Å; L881-I889 VanDerWaalsContact CD1-CD1 3.49Å; L881-I889 HydrophobicContact CD2-CD1 3.82Å; L881-I889 HydrophobicContact CG-CD1 4.28Å; S885-I889 WeakPolarHBondContact O-CG1 3.4Å; S885-I889 PolarHBondContact O-N 2.75Å; T886-I889 PolarHBondContact O-N 3.04Å; I889-K891 PolarHBondContact O-N 2.75Å; I889-S892 WeakPolarHBondContact O-CA 3.26Å; I889-S892 WeakPolarHBondContact O-CB 3.21Å; I889-S892 PolarHBondContact O-N 3.05Å; I889-S892 PolarHBondContact O-OG 2.93Å; I889-A893 PolarHBondContact O-N 2.92Å
890	L	56.6	Low	51.9	Low	113 Å²	113	110.6 Å²	110.6	59%	0.592	60%	0.596	S	S	*	*	H	α-helix	trans	-63.8	-24	174	-69.5	169	0	0	0	113.2	T886	T886-L890 HydrophobicContact CG2-CD1 4.27Å; T886-L890 WeakPolarHBondContact O-CB 3.29Å; T886-L890 VanDerWaalsContact O-CG 3.27Å; T886-L890 WeakPolarHBondContact O-CG 3.5Å; T886-L890 PolarHBondContact O-N 3.15Å
891	K	53.8	Low	50.1	Low	164 Å²	164	106.8 Å²	106.8	71%	0.713	60%	0.595	S	S	*	*	H	α-helix	trans	-76	-23.2	169.5	-83.6	170.6	-173.5	158.6	0	113.7	A887 E888 I889	A887-K891 WeakPolarHBondContact O-CB 3.35Å; A887-K891 VanDerWaalsContact O-CD 3.28Å; A887-K891 WeakPolarHBondContact O-CD 3.32Å; A887-K891 WeakPolarHBondContact O-CG 3.44Å; A887-K891 PolarHBondContact O-N 3.1Å; E888-K891 WeakPolarHBondContact O-CB 3.45Å; E888-K891 PolarHBondContact O-N 2.84Å; I889-K891 PolarHBondContact O-N 2.75Å
892	S	57.4	Low	48.6	Very low	80 Å²	80	109.3 Å²	109.3	56%	0.559	62%	0.615	S	S	*	*	H	α-helix	trans	-84	-29	172.4	74.2	0	0	0	0	112.7	C122 E888 I889 C894	C122-S892 VanDerWaalsContact CB-O 3.23Å; C122-S892 WeakPolarHBondContact CB-O 3.47Å; E888-S892 PolarHBondContact O-N 3.27Å; E888-S892 VanDerWaalsContact O-N 3.11Å; I889-S892 WeakPolarHBondContact O-CA 3.26Å; I889-S892 WeakPolarHBondContact O-CB 3.21Å; I889-S892 PolarHBondContact O-N 3.05Å; I889-S892 PolarHBondContact O-OG 2.93Å; S892-C894 PolarHBondContact O-N 3.19Å
893	A	40.5	Very low	46.9	Very low	37 Å²	37	113.5 Å²	113.5	31%	0.306	64%	0.638	S	S	.	*	S	Bend	trans	-93.6	81.1	178.9	0	0	0	0	0	111.9	I889 T895	I889-A893 PolarHBondContact O-N 2.92Å; A893-T895 PolarHBondContact O-N 2.73Å
894	C	33.7	Very low	45.2	Very low	56 Å²	56	110.9 Å²	110.9	38%	0.378	63%	0.633	S	S	.	*			trans	-67.3	77.2	-175.5	-50.2	0	0	0	0	115.2	C122 V123 S892	C122-C894 HydrophobicContact CB-CB 4.25Å; C122-C894 PolarHBondContact SG-N 3.32Å; V123-C894 HydrophobicContact CB-CB 3.87Å; V123-C894 HydrophobicContact CG1-CB 4.05Å; V123-C894 HydrophobicContact CG2-CB 4.49Å; S892-C894 PolarHBondContact O-N 3.19Å
895	T	33.5	Very low	43.5	Very low	117 Å²	117	106.8 Å²	106.8	72%	0.718	63%	0.631	S	S	*	*			trans	-142.1	103.5	169.7	49.9	0	0	0	0	111.8	A893	A893-T895 PolarHBondContact O-N 2.73Å
896	E	33.4	Very low	41.8	Very low	178 Å²	178	111.6 Å²	111.6	83%	0.832	66%	0.659	S	S	*	*			trans	-140.4	152.8	165.4	-81.3	-63	153.4	0	0	108.3
897	P	32.1	Very low	40.3	Very low	112 Å²	112	113 Å²	113	73%	0.727	67%	0.671	S	S	*	*			trans	-84.9	165.7	-163.7	34	-35.1	0	0	0	114.7
898	L	31.9	Very low	38.9	Very low	172 Å²	172	116.7 Å²	116.7	90%	0.901	68%	0.679	S	S	*	*			trans	-99.4	127.1	172.5	-89.4	152.8	0	0	0	110.3
899	D	36.1	Very low	37.5	Very low	159 Å²	159	113.2 Å²	113.2	85%	0.85	67%	0.667	S	S	*	*			trans	-108.7	151.7	159.2	-89.7	-46.2	0	0	0	110
900	D	33.7	Very low	36.1	Very low	167 Å²	167	112.7 Å²	112.7	89%	0.893	66%	0.663	S	S	*	*			trans	-83.5	138.9	-167	-73.7	-63.3	0	0	0	115.6
901	A	35.5	Very low	34.8	Very low	96 Å²	96	111 Å²	111	79%	0.793	66%	0.66	S	S	*	*				172.1	153.1	123.3	0	0	0	0	0	113.6
902	P	36	Very low	33.7	Very low	119 Å²	119	108.4 Å²	108.4	77%	0.773	66%	0.657	S	S	*	*			trans	-120	-174.9	-172.9	41.5	-29.7	0	0	0	116.9
903	V	31.2	Very low	33.1	Very low	151 Å²	151	109.6 Å²	109.6	92%	0.915	66%	0.663	S	S	*	*			trans	99.7	135.7	170.4	-173.6	0	0	0	0	115.8
904	G	30.5	Very low	32.8	Very low	64 Å²	64	116.1 Å²	116.1	66%	0.66	69%	0.688	S	S	*	*			trans	-172.9	-72.9	-178.2	0	0	0	0	0	118.5
905	V	29	Very low	32.8	Very low	123 Å²	123	120.4 Å²	120.4	75%	0.745	70%	0.702	S	S	*	*			trans	69.4	117.6	166.9	-171.5	0	0	0	0	119.8
906	T	29.4	Very low	32.7	Very low	131 Å²	131	119.9 Å²	119.9	80%	0.804	70%	0.703	S	S	*	*			trans	68.6	152.6	157.6	55.3	0	0	0	0	121.7
907	S	30.6	Very low	32.7	Very low	75 Å²	75	118.7 Å²	118.7	52%	0.524	70%	0.697	S	S	.	*			cis	-176.8	159.7	-22.6	55.8	0	0	0	0	114
908	F	30.3	Very low	32.7	Very low	118 Å²	118	119.5 Å²	119.5	52%	0.518	70%	0.696	S	S	.	*			trans	81.9	164.4	151	-72.1	-14.6	0	0	0	121.4
909	T	31.2	Very low	32.6	Very low	64 Å²	64	119 Å²	119	39%	0.393	69%	0.688	S	S	.	*			cis	-175.2	168	-8.5	36.2	0	0	0	0	109.7	L149 L150	L149-T909 HydrophobicContact CB-CG2 4.01Å; L149-T909 VanDerWaalsContact O-CA 3.25Å; L149-T909 WeakPolarHBondContact O-CA 3.27Å; L149-T909 WeakPolarHBondContact O-CB 3.47Å; L149-T909 WeakPolarHBondContact O-CG2 3.47Å; L150-T909 HydrophobicContact CB-CG2 4.22Å; L150-T909 HydrophobicContact CD2-CG2 4.46Å; L150-T909 HydrophobicContact CG-CG2 4.11Å
910	E	31.1	Very low	32.2	Very low	70 Å²	70	116.5 Å²	116.5	33%	0.327	67%	0.674	S	S	.	*			cis	-134.9	-145.3	-10.7	-175.8	111	90.1	0	0	110.2	R147 I148 L149 L150	R147-E910 CarbonylContact C-O 3.53Å; R147-E910 VanDerWaalsContact C-O 3.23Å; R147-E910 CarbonylContact O-C 3.13Å; I148-E910 WeakPolarHBondContact CG2-OE2 3.4Å; L149-E910 VanDerWaalsContact C-CD 3.43Å; L149-E910 VanDerWaalsContact CA-OE2 3.26Å; L149-E910 WeakPolarHBondContact CA-OE2 3.47Å; L149-E910 PolarHBondContact N-OE2 2.89Å; L149-E910 WeakPolarHBondContact O-CA 3.5Å; L149-E910 WeakPolarHBondContact O-CB 3.38Å; L149-E910 PolarHBondContact O-N 3.5Å; L150-E910 HydrophobicContact CB-CB 4.11Å; L150-E910 VanDerWaalsContact CB-CD 3.4Å; L150-E910 HydrophobicContact CB-CG 4.22Å; L150-E910 WeakPolarHBondContact CB-OE1 3.4Å; L150-E910 HydrophobicContact CD1-CB 4.2Å; L150-E910 HydrophobicContact CG-CB 4.3Å; L150-E910 PolarHBondContact N-OE2 3.27Å; L150-E910 VanDerWaalsContact N-OE2 3.13Å
911	C	29.9	Very low	31.9	Very low	79 Å²	79	119.1 Å²	119.1	53%	0.534	67%	0.671	S	S	.	*			cis	-156.5	171.4	9.5	-158.5	0	0	0	0	117.9	R147 I148	R147-C911 CarbonylContact O-C 3.23Å; R147-C911 PolarHBondContact O-N 3.1Å; I148-C911 WeakPolarHBondContact CG1-O 3.5Å
912	V	30.7	Very low	31.7	Very low	108 Å²	108	120.8 Å²	120.8	66%	0.655	67%	0.672	S	S	*	*			trans	-104	160.5	-160.2	157.5	0	0	0	0	117.6	I148	I148-V912 HydrophobicContact CD1-CG2 3.53Å; I148-V912 HydrophobicContact CG1-CG2 3.84Å; I148-V912 HydrophobicContact CG2-CG2 4.37Å
913	P	45.7	Very low	31.3	Very low	106 Å²	106	124.5 Å²	124.5	69%	0.688	68%	0.676	S	S	*	*			trans	-136.7	-176.8	-168.6	45.5	-28.6	0	0	0	119.7
914	Q	33.1	Very low	31.7	Very low	174 Å²	174	123.2 Å²	123.2	81%	0.813	67%	0.671	S	S	*	*			trans	-168.9	175.9	164.5	-94.8	-174.3	-72.2	0	0	110.5
915	Q	33.5	Very low	31.7	Very low	146 Å²	146	123.3 Å²	123.3	68%	0.682	67%	0.672	S	S	*	*			cis	-175.5	161.5	-33	179.4	172	-27.7	0	0	112.1
916	S	31.5	Very low	32	Very low	105 Å²	105	123 Å²	123	73%	0.734	68%	0.676	S	S	*	*			trans	84.2	161	159	82.9	0	0	0	0	121.2
917	H	33.2	Very low	32.2	Very low	153 Å²	153	122.9 Å²	122.9	71%	0.708	67%	0.67	S	S	*	*			cis	-164.1	168	-19.3	-122.2	-115.3	0	0	0	114
918	D	31.6	Very low	32.3	Very low	130 Å²	130	122 Å²	122	70%	0.695	66%	0.661	S	S	*	*			trans	51.3	129.2	152.2	-63.2	-19.8	0	0	0	129.7
919	E	30.1	Very low	32.5	Very low	160 Å²	160	121.2 Å²	121.2	75%	0.748	66%	0.658	S	S	*	*			trans	73.1	155.9	142.4	-68	-68.6	65.6	0	0	123.5
920	I	29.3	Very low	32.6	Very low	108 Å²	108	122.5 Å²	122.5	55%	0.554	66%	0.659	S	S	*	*			cis	-169.1	153.7	-20.3	-160.6	-165.3	0	0	0	115.1
921	R	27.2	Very low	32.5	Very low	222 Å²	222	123.7 Å²	123.7	84%	0.838	67%	0.667	S	S	*	*			trans	79.2	134.9	143.2	-105.4	178.5	-150.1	-167.3	6.7	126.8
922	T	30	Very low	32.5	Very low	130 Å²	130	126.5 Å²	126.5	80%	0.798	68%	0.675	S	S	*	*			trans	104.2	163.2	146.8	-7.8	0	0	0	0	122.5
923	F	28.2	Very low	32.4	Very low	197 Å²	197	127.3 Å²	127.3	86%	0.864	68%	0.68	S	S	*	*			trans	-143.3	-164.1	-154.2	-87.6	-78.1	0	0	0	111.7
924	P	38.8	Very low	31.8	Very low	124 Å²	124	127.4 Å²	127.4	81%	0.805	68%	0.683	S	S	*	*				-138.1	-173.1	-54.3	40.9	-23.7	0	0	0	116.2
925	G	32.1	Very low	31.7	Very low	67 Å²	67	125.1 Å²	125.1	69%	0.691	68%	0.681	S	S	*	*			trans	146.4	129.4	141.8	0	0	0	0	0	123.9
926	S	34	Very low	31.5	Very low	117 Å²	117	125.1 Å²	125.1	82%	0.818	68%	0.681	S	S	*	*			trans	73.7	164.7	156	80.5	0	0	0	0	121
927	D	34.5	Very low	31.5	Very low	128 Å²	128	127.2 Å²	127.2	68%	0.684	68%	0.677	S	S	*	*			cis	-166	-162.8	-22.3	-113.8	51.4	0	0	0	112.1	K321	K321-D927 CarbonylContact O-C 3.51Å
928	V	31.9	Very low	31.3	Very low	56 Å²	56	126.2 Å²	126.2	34%	0.339	68%	0.676	S	S	.	*				-153	165.1	-91.3	83.4	0	0	0	0	116.4	K321	K321-V928 CarbonylContact C-O 3.56Å; K321-V928 WeakPolarHBondContact CA-O 3.44Å; K321-V928 PolarHBondContact N-O 3.32Å; K321-V928 PolarHBondContact O-N 3.4Å
929	K	34.3	Very low	31.3	Very low	102 Å²	102	127.5 Å²	127.5	44%	0.443	68%	0.678	S	S	.	*			trans	63.1	170.2	164.1	-67.1	161.2	-145.5	159.9	0	117.1	N319 R320 Q322	N319-K929 WeakPolarHBondContact O-CD 3.48Å; R320-K929 HydrophobicContact CG-CB 4.3Å; Q322-K929 WeakPolarHBondContact CB-O 3.45Å; Q322-K929 WeakPolarHBondContact CG-O 3.29Å; Q322-K929 PolarHBondContact OE1-O 2.87Å
930	Q	33.5	Very low	31.1	Very low	91 Å²	91	124.7 Å²	124.7	43%	0.425	67%	0.671	S	S	.	*			cis	-166.6	-177.3	-18.3	-104.9	171.4	-57.6	0	0	107.9	R320 Q322	R320-Q930 HydrophobicContact CG-CB 4.11Å; R320-Q930 PolarHBondContact NH2-O 3.27Å; Q322-Q930 PolarHBondContact NE2-O 3.47Å; Q322-Q930 VanDerWaalsContact NE2-O 3.1Å; Q322-Q930 PolarHBondContact OE1-O 2.89Å
931	I	30.1	Very low	31.3	Very low	94 Å²	94	128.5 Å²	128.5	48%	0.482	69%	0.686	S	S	.	*			cis	-162.9	147.7	9.1	-120.8	158.2	0	0	0	106.2
932	I	28.6	Very low	31.3	Very low	139 Å²	139	126.4 Å²	126.4	71%	0.713	69%	0.686	S	S	*	*				72.9	140.9	65.2	-47	169.9	0	0	0	112.8
933	V	30	Very low	31.6	Very low	125 Å²	125	125 Å²	125	76%	0.758	68%	0.679	S	S	*	*			cis	-162.6	172.4	47.6	-143.5	0	0	0	0	114.7
934	S	32.9	Very low	31.4	Very low	107 Å²	107	119.9 Å²	119.9	75%	0.748	66%	0.664	S	S	*	*			trans	76.7	154.2	150.8	-59.3	0	0	0	0	124.3
935	V	29.7	Very low	30.8	Very low	127 Å²	127	119 Å²	119	77%	0.77	66%	0.657	S	S	*	*				-171.2	137	-59.1	137.7	0	0	0	0	114.1
936	E	30.8	Very low	30.4	Very low	145 Å²	145	122.9 Å²	122.9	68%	0.678	66%	0.66	S	S	*	*			trans	63.6	136.4	155.8	-84.1	-163.7	139.9	0	0	127.6
937	K	31.1	Very low	30.2	Very low	149 Å²	149	125.3 Å²	125.3	65%	0.648	66%	0.659	S	S	*	*				106.3	126.9	124.5	-92.9	178.6	175.5	111.2	0	125.2
938	L	29	Very low	29.9	Very low	132 Å²	132	124.4 Å²	124.4	69%	0.691	66%	0.663	S	S	*	*			trans	86	107.8	142.7	-60.1	170.6	0	0	0	124.7
939	Q	30.6	Very low	29.8	Very low	158 Å²	158	126.6 Å²	126.6	74%	0.738	68%	0.68	S	S	*	*				77.4	118.2	121.9	-75.8	-179.8	-45.5	0	0	125.5
940	T	26.8	Very low	29.8	Very low	100 Å²	100	127.1 Å²	127.1	61%	0.613	69%	0.694	S	S	*	*			trans	54.3	121	134.6	57.9	0	0	0	0	122.7
941	H	32.2	Very low	29.6	Very low	188 Å²	188	133.6 Å²	133.6	87%	0.87	71%	0.714	S	S	*	*				-169.7	164.4	95	-101.8	-79.5	0	0	0	112.7
942	E	28.4	Very low	29.5	Very low	178 Å²	178	136.2 Å²	136.2	83%	0.832	73%	0.729	S	S	*	*			trans	-107.9	178.9	-176.7	-98.1	-160	139.3	0	0	111.9
943	P	35.3	Very low	29.5	Very low	101 Å²	101	134.9 Å²	134.9	66%	0.656	73%	0.732	S	S	*	*			cis	-138.1	-142.8	-41.1	40.8	-22.3	0	0	0	111.2
944	T	25.7	Very low	29.4	Very low	89 Å²	89	135.9 Å²	135.9	55%	0.546	73%	0.728	S	S	.	*			trans	112.1	81.7	151.8	-39.8	0	0	0	0	118.5	K340	K340-T944 WeakPolarHBondContact CE-O 3.44Å; K340-T944 PolarHBondContact NZ-O 3.33Å
945	T	25.1	Very low	29.4	Very low	105 Å²	105	134.9 Å²	134.9	64%	0.644	72%	0.717	S	S	*	*				60.5	154.8	121.7	-28.1	0	0	0	0	122.9	K340	K340-T945 PolarHBondContact NZ-O 3.16Å; K340-T945 VanDerWaalsContact NZ-O 3.15Å
946	I	24.7	Very low	29.3	Very low	149 Å²	149	133.1 Å²	133.1	76%	0.764	70%	0.703	S	S	*	*			trans	84	137.6	163.1	-50.1	-179.7	0	0	0	116.9
947	Q	28.9	Very low	29.2	Very low	168 Å²	168	133.5 Å²	133.5	79%	0.785	71%	0.705	S	S	*	*			cis	-170.3	170.5	-46.7	-137.7	176.6	-9.8	0	0	109.5
948	S	28.1	Very low	28.8	Very low	110 Å²	110	129 Å²	129	77%	0.769	69%	0.69	S	S	*	*			trans	67.2	158.2	163	88	0	0	0	0	116.8
949	S	29.2	Very low	28.7	Very low	101 Å²	101	128.5 Å²	128.5	71%	0.706	70%	0.696	S	S	*	*			cis	-138.6	-166.6	4.1	-48.6	0	0	0	0	110.5
950	P	34.5	Very low	28.5	Very low	113 Å²	113	125.1 Å²	125.1	73%	0.734	70%	0.695	S	S	*	*				-130.9	-159.9	-114.2	34.6	-9.9	0	0	0	115.3
951	R	30.7	Very low	28.5	Very low	227 Å²	227	124.2 Å²	124.2	86%	0.857	69%	0.693	S	S	*	*			trans	85.5	88.6	164.7	-58	176.5	168.8	-179.8	-4.8	118.9
952	L	28.1	Very low	28.3	Very low	149 Å²	149	123.4 Å²	123.4	78%	0.78	69%	0.69	S	S	*	*	S	Bend		-156.8	50.3	112	-128.5	172.7	0	0	0	112.2
953	S	28.2	Very low	28.5	Very low	111 Å²	111	119.4 Å²	119.4	78%	0.776	68%	0.677	S	S	*	*	S	Bend	trans	-137	47.6	-179.1	61.9	0	0	0	0	110.4
954	Q	27.4	Very low	28.5	Very low	147 Å²	147	121.1 Å²	121.1	69%	0.687	69%	0.686	S	S	*	*			trans	-160.4	75.6	174.9	-111.5	-178.2	-17.2	0	0	110.8	L956	Q954-L956 HydrophobicContact CB-CD1 3.84Å; Q954-L956 HydrophobicContact CG-CD1 3.71Å; Q954-L956 HydrophobicContact CG-CG 4.07Å
955	V	33.5	Very low	29.2	Very low	86 Å²	86	117.7 Å²	117.7	52%	0.521	66%	0.664	S	S	.	*			trans	-126.7	71.3	140.7	-179.1	0	0	0	0	103	V866	V866-V955 HydrophobicContact CG1-CG1 4.37Å
956	L	26.5	Very low	29.6	Very low	89 Å²	89	118.9 Å²	118.9	47%	0.466	67%	0.665	S	S	.	*				46.6	97	89.5	-75.4	139.1	0	0	0	109.9	Q954	Q954-L956 HydrophobicContact CB-CD1 3.84Å; Q954-L956 HydrophobicContact CG-CD1 3.71Å; Q954-L956 HydrophobicContact CG-CG 4.07Å
957	E	29.1	Very low	30.9	Very low	153 Å²	153	112.8 Å²	112.8	72%	0.715	63%	0.634	S	S	*	*				66	57.5	78.6	-62	166.2	103.9	0	0	112.2
958	T	23.5	Very low	31.5	Very low	56 Å²	56	108 Å²	108	34%	0.344	62%	0.617	S	S	.	*	S	Bend	trans	-133.7	144.4	147.9	35	0	0	0	0	107.1	A960	T958-A960 VanDerWaalsContact C-N 3.26Å; T958-A960 PolarHBondContact O-N 3.46Å
959	C	25.8	Very low	32.1	Very low	121 Å²	121	103.5 Å²	103.5	82%	0.818	59%	0.586	S	S	*	*	S	Bend	trans	60.6	23.6	-170.8	-60.5	0	0	0	0	116.2	S961	C959-S961 VanDerWaalsContact C-N 3.34Å
960	A	26.9	Very low	32.6	Very low	87 Å²	87	100.8 Å²	100.8	72%	0.719	57%	0.567	S	S	*	*			trans	-99	36.2	164.4	0	0	0	0	0	111.6	T958	T958-A960 VanDerWaalsContact C-N 3.26Å; T958-A960 PolarHBondContact O-N 3.46Å
961	S	25.9	Very low	33	Very low	80 Å²	80	98 Å²	98	56%	0.559	54%	0.544	S	S	*	.			trans	-99.2	110.7	-169.9	-56.1	0	0	0	0	112.9	C959	C959-S961 VanDerWaalsContact C-N 3.34Å
962	E	28.7	Very low	33.1	Very low	172 Å²	172	91 Å²	91	80%	0.804	53%	0.527	S	S	*	.	S	Bend	trans	61.6	51.4	138.5	-53.3	-176.9	128.6	0	0	119
963	T	33.3	Very low	33.3	Very low	93 Å²	93	91.4 Å²	91.4	57%	0.571	53%	0.525	S	S	*	.			trans	-130.6	26	164	54.8	0	0	0	0	115.6	D965	T963-D965 PolarHBondContact O-N 3.4Å
964	V	35.4	Very low	33.4	Very low	138 Å²	138	92.5 Å²	92.5	84%	0.836	52%	0.522	S	S	*	.			trans	-73.6	80.9	149.5	-177.9	0	0	0	0	106.8	I966	V964-I966 PolarHBondContact O-N 2.81Å
965	D	38.8	Very low	33.4	Very low	17 Å²	17	93.7 Å²	93.7	9%	0.091	53%	0.527	C	S	.	.			trans	-61.9	109.3	172.6	-85.2	-18.8	0	0	0	108.3	T963 I967 K1129 T1171	T963-D965 PolarHBondContact O-N 3.4Å; D965-I967 PolarHBondContact O-N 3.15Å; D965-I967 VanDerWaalsContact O-N 3.15Å; D965-K1129 HydrophobicContact CB-CB 4.29Å; D965-K1129 WeakPolarHBondContact OD1-CD 3.43Å; D965-K1129 WeakPolarHBondContact OD1-CE 3.24Å; D965-K1129 WeakPolarHBondContact OD1-CG 3.38Å; D965-K1129 IonicContact OD1-NZ 2.73Å; D965-K1129 PolarHBondContact OD1-NZ 2.92Å; D965-K1129 VanDerWaalsContact OD2-CA 3.29Å; D965-K1129 WeakPolarHBondContact OD2-CA 3.16Å; D965-K1129 WeakPolarHBondContact OD2-CB 3.1Å; D965-K1129 WeakPolarHBondContact OD2-CG 3.47Å; D965-T1171 WeakPolarHBondContact OD2-CB 3.4Å; D965-T1171 PolarHBondContact OD2-OG1 2.9Å
966	I	34.8	Very low	33.3	Very low	129 Å²	129	95.3 Å²	95.3	66%	0.662	54%	0.539	S	S	*	.			trans	-53.3	123.3	-177.3	-44.7	175.3	0	0	0	107.6	V964 P968	V964-I966 PolarHBondContact O-N 2.81Å; I966-P968 HydrophobicContact CG2-CB 4.47Å; I966-P968 WeakPolarHBondContact O-CD 3.48Å
967	I	52.3	Low	33.5	Very low	22 Å²	22	99.4 Å²	99.4	11%	0.113	56%	0.556	C	S	.	*			trans	-94.6	79.5	163.8	-55.2	172.7	0	0	0	106.2	D965 S969 L1132 F1135 A1230 L1312	D965-I967 PolarHBondContact O-N 3.15Å; D965-I967 VanDerWaalsContact O-N 3.15Å; I967-S969 PolarHBondContact O-N 3.12Å; I967-S969 VanDerWaalsContact O-N 3.1Å; I967-L1132 HydrophobicContact CG2-CB 4.16Å; I967-F1135 HydrophobicContact CD1-CE2 3.95Å; I967-A1230 HydrophobicContact CB-CB 4.41Å; I967-A1230 WeakPolarHBondContact O-CB 3.5Å; I967-L1312 HydrophobicContact CD1-CD1 3.86Å
968	P	40.2	Very low	33.4	Very low	66 Å²	66	97 Å²	97	43%	0.429	55%	0.548	S	S	.	.			trans	-64.7	120.5	172.2	29.2	-33.6	0	0	0	107.2	I966 S970	I966-P968 HydrophobicContact CG2-CB 4.47Å; I966-P968 WeakPolarHBondContact O-CD 3.48Å; P968-S970 PolarHBondContact O-N 2.81Å; P968-S970 PolarHBondContact O-OG 2.8Å
969	S	41.5	Very low	33.6	Very low	17 Å²	17	105.3 Å²	105.3	12%	0.119	58%	0.575	C	S	.	*			trans	-67.5	70.2	168	-69.2	0	0	0	0	109.1	I967 Q971 A1230 D1235	I967-S969 PolarHBondContact O-N 3.12Å; I967-S969 VanDerWaalsContact O-N 3.1Å; S969-Q971 PolarHBondContact O-N 3.09Å; S969-A1230 PolarHBondContact OG-O 2.88Å; S969-D1235 PolarHBondContact OG-OD2 3.22Å
970	S	40.1	Very low	33.7	Very low	43 Å²	43	106.1 Å²	106.1	30%	0.301	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.3	32.7	-172.5	43.4	0	0	0	0	113	P968	P968-S970 PolarHBondContact O-N 2.81Å; P968-S970 PolarHBondContact O-OG 2.8Å
971	Q	42.1	Very low	33.7	Very low	54 Å²	54	108.1 Å²	108.1	25%	0.252	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.7	-24.6	170.9	-57.3	-136.9	35.9	0	0	111.7	S969 R1107 L1132 D1235	S969-Q971 PolarHBondContact O-N 3.09Å; Q971-R1107 PolarHBondContact O-NE 3.02Å; Q971-R1107 PolarHBondContact O-NH2 3.19Å; Q971-L1132 HydrophobicContact CG-CD2 4.17Å; Q971-D1235 PolarHBondContact NE2-OD1 3.01Å
972	T	33.5	Very low	33.9	Very low	82 Å²	82	109.6 Å²	109.6	50%	0.503	57%	0.571	S	S	.	*			trans	-102.3	54.9	177.5	60.5	0	0	0	0	111.9	D974	T972-D974 VanDerWaalsContact C-N 3.27Å; T972-D974 PolarHBondContact O-N 2.94Å
973	E	32.2	Very low	33.9	Very low	157 Å²	157	106.6 Å²	106.6	73%	0.734	56%	0.564	S	S	*	*			trans	-78.6	92.3	141.8	-76.3	-179.1	179.7	0	0	105.7	E975	E973-E975 PolarHBondContact O-N 3.16Å
974	D	29.9	Very low	33.8	Very low	134 Å²	134	110.9 Å²	110.9	72%	0.717	58%	0.58	S	S	*	*			trans	-71	123.3	170.1	-74.3	-44.3	0	0	0	108.5	T972	T972-D974 VanDerWaalsContact C-N 3.27Å; T972-D974 PolarHBondContact O-N 2.94Å
975	E	28.1	Very low	33.6	Very low	171 Å²	171	110.9 Å²	110.9	80%	0.799	58%	0.575	S	S	*	*			trans	-52.3	127.5	171.8	-78	-79.4	147.1	0	0	109.4	E973 E977	E973-E975 PolarHBondContact O-N 3.16Å; E975-E977 PolarHBondContact O-N 2.94Å
976	P	30.8	Very low	33.3	Very low	120 Å²	120	115.4 Å²	115.4	78%	0.779	61%	0.606	S	S	*	*			trans	-69.8	96	-179	27.4	-33.4	0	0	0	110.2	N978	P976-N978 PolarHBondContact O-N 2.69Å
977	E	30.4	Very low	33.2	Very low	175 Å²	175	114.4 Å²	114.4	82%	0.818	61%	0.608	S	S	*	*			trans	-65.3	77.7	174.4	-79.1	-151.3	140.1	0	0	112.1	E975 Y979	E975-E977 PolarHBondContact O-N 2.94Å; E977-Y979 PolarHBondContact O-N 3.05Å
978	N	26.5	Very low	31.9	Very low	103 Å²	103	120.6 Å²	120.6	55%	0.551	64%	0.639	S	S	*	*			trans	37	77.3	141.2	-168.5	4.4	0	0	0	116.3	P976	P976-N978 PolarHBondContact O-N 2.69Å
979	Y	28.4	Very low	31.4	Very low	230 Å²	230	125 Å²	125	90%	0.902	66%	0.658	S	S	*	*			trans	-96.4	97.5	162.8	-100.3	-89.4	0	0	0	111.6	E977	E977-Y979 PolarHBondContact O-N 3.05Å
980	H	27.2	Very low	30.9	Very low	138 Å²	138	128.6 Å²	128.6	64%	0.639	68%	0.683	S	S	*	*			trans	-89.1	109.6	-175.5	-160	-70.7	0	0	0	111.4	N982	H980-N982 PolarHBondContact CE1-OD1 3.19Å; H980-N982 PolarHBondContact ND1-OD1 2.99Å
981	V	28.5	Very low	30.5	Very low	129 Å²	129	135.2 Å²	135.2	78%	0.782	71%	0.709	S	S	*	*			trans	-141.9	84.7	164.5	-173.3	0	0	0	0	107.7
982	N	29.2	Very low	30.2	Very low	112 Å²	112	137 Å²	137	60%	0.599	73%	0.725	S	S	*	*				74.5	79.5	91.7	-66.2	4.5	0	0	0	114.7	H980	H980-N982 PolarHBondContact CE1-OD1 3.19Å; H980-N982 PolarHBondContact ND1-OD1 2.99Å
983	V	28.9	Very low	29.9	Very low	108 Å²	108	139 Å²	139	66%	0.655	74%	0.738	S	S	*	*				37.6	126.9	118.2	-177.3	0	0	0	0	118.6
984	M	30.2	Very low	29.9	Very low	184 Å²	184	137.5 Å²	137.5	91%	0.906	74%	0.739	S	S	*	*			trans	-129.9	103.7	146.4	-87.2	-70.8	169.6	0	0	110
985	N	32	Very low	29.9	Very low	137 Å²	137	135.7 Å²	135.7	73%	0.733	74%	0.743	S	S	*	*			trans	-88.8	152.4	162.5	-68.5	-14.2	0	0	0	108.5
986	P	33.4	Very low	29.9	Very low	112 Å²	112	131.7 Å²	131.7	73%	0.727	73%	0.734	S	S	*	*				-154.3	-168.7	97.1	40.7	-23.3	0	0	0	113.2
987	P	31.4	Very low	29.9	Very low	109 Å²	109	135.4 Å²	135.4	71%	0.708	74%	0.738	S	S	*	*			cis	-106.8	157.5	-30.8	13.3	9.9	0	0	0	110.6
988	I	25.8	Very low	29.6	Very low	151 Å²	151	136.4 Å²	136.4	77%	0.774	74%	0.739	S	S	*	*				71	140.6	55.7	-55.4	173.4	0	0	0	113.3
989	I	29.9	Very low	29.8	Very low	159 Å²	159	136.5 Å²	136.5	82%	0.815	75%	0.745	S	S	*	*			trans	97.4	122.9	-176.8	-57.3	166.2	0	0	0	113.3
990	S	30.6	Very low	29.5	Very low	92 Å²	92	133.8 Å²	133.8	64%	0.643	74%	0.741	S	S	*	*			cis	-168.7	129.2	-16.5	55.4	0	0	0	0	113.4
991	Q	31.3	Very low	29.7	Very low	182 Å²	182	136 Å²	136	85%	0.85	75%	0.752	S	S	*	*				58.3	171.9	129.3	-74.2	-168.2	4.1	0	0	122.4
992	P	35.2	Very low	29.6	Very low	91 Å²	91	134.1 Å²	134.1	59%	0.591	74%	0.744	S	S	*	*			cis	-139.9	-177.8	-34.3	33.9	-14.4	0	0	0	115.9
993	T	28.9	Very low	29.4	Very low	125 Å²	125	135.6 Å²	135.6	77%	0.767	75%	0.752	S	S	*	*			trans	70.6	158.2	149	39.4	0	0	0	0	120.2
994	V	31	Very low	29.3	Very low	126 Å²	126	139.5 Å²	139.5	76%	0.764	76%	0.76	S	S	*	*			cis	-137.6	142.8	8.3	-149.9	0	0	0	0	112.2
995	A	30.9	Very low	29.1	Very low	96 Å²	96	136.9 Å²	136.9	79%	0.793	75%	0.75	S	S	*	*			trans	58.9	161.1	148.8	0	0	0	0	0	122.2
996	S	28.4	Very low	28.8	Very low	87 Å²	87	136.1 Å²	136.1	61%	0.608	74%	0.742	S	S	*	*			cis	-169.2	166.7	-37.7	-162.3	0	0	0	0	110.7
997	F	29.1	Very low	28.4	Very low	197 Å²	197	138.8 Å²	138.8	86%	0.864	74%	0.737	S	S	*	*			trans	69.2	126.3	161.3	-61.2	-63.3	0	0	0	121.2
998	K	23.8	Very low	28.1	Very low	197 Å²	197	141.6 Å²	141.6	86%	0.857	73%	0.734	S	S	*	*			trans	-84.9	-172.3	155	-49.7	178.4	179.1	178.1	0	108.4
999	P	31.2	Very low	28.2	Very low	104 Å²	104	140.9 Å²	140.9	68%	0.675	73%	0.732	S	S	*	*			cis	-140	-172.4	1.7	42.7	-22.6	0	0	0	116
1000	E	23	Very low	28.2	Very low	173 Å²	173	139.8 Å²	139.8	81%	0.808	73%	0.726	S	S	*	*			trans	23.8	113.3	145.3	-64.3	171.6	137.3	0	0	121.1
1001	Q	31.3	Very low	28.1	Very low	186 Å²	186	140.6 Å²	140.6	87%	0.869	73%	0.727	S	S	*	*				-173.4	118.7	129.3	-100.7	162.6	45.7	0	0	107.8
1002	S	25.8	Very low	27.9	Very low	89 Å²	89	136.7 Å²	136.7	62%	0.622	72%	0.72	S	S	*	*				87	124.9	70.8	81.6	0	0	0	0	113.6
1003	N	26.3	Very low	27.9	Very low	142 Å²	142	137.4 Å²	137.4	76%	0.759	73%	0.725	S	S	*	*			trans	62.2	120.2	175.4	-61.8	-35.6	0	0	0	115.7
1004	K	25.2	Very low	27.7	Very low	191 Å²	191	138.7 Å²	138.7	83%	0.83	73%	0.726	S	S	*	*				49.9	83.5	71.7	-71.7	-171	174.5	-178.7	0	112.4
1005	N	25.8	Very low	27.7	Very low	128 Å²	128	139.5 Å²	139.5	68%	0.684	73%	0.726	S	S	*	*			trans	-163.3	144.7	132	-115.9	15.1	0	0	0	110.5
1006	E	26.1	Very low	27.6	Very low	122 Å²	122	139.1 Å²	139.1	57%	0.57	72%	0.718	S	S	*	*			trans	69.2	149.8	140.2	-63.4	177.8	163.5	0	0	117.9
1007	W	25.5	Very low	27.7	Very low	167 Å²	167	140 Å²	140	63%	0.633	72%	0.724	S	S	*	*			cis	-164.7	172.2	-6.2	-118.4	-12.8	0	0	0	111.1
1008	R	26	Very low	27.7	Very low	168 Å²	168	137 Å²	137	63%	0.634	72%	0.716	S	S	*	*			trans	53.8	115.4	141.4	-69.4	167.9	-164.1	-160.3	3.6	117.5
1009	N	26.6	Very low	28	Very low	136 Å²	136	132.7 Å²	132.7	73%	0.727	71%	0.709	S	S	*	*				133.8	163.5	80.5	-94.3	5.4	0	0	0	106.6
1010	I	29.7	Very low	27.8	Very low	137 Å²	137	133 Å²	133	70%	0.703	71%	0.705	S	S	*	*			cis	-149.6	153.1	14.6	-138	154.4	0	0	0	111.5
1011	T	28.5	Very low	28.1	Very low	108 Å²	108	133.4 Å²	133.4	66%	0.663	70%	0.704	S	S	*	*			trans	-4.5	124.9	158.8	51.3	0	0	0	0	118.6
1012	S	28.6	Very low	27.9	Very low	100 Å²	100	131 Å²	131	70%	0.699	70%	0.696	S	S	*	*				64.8	143	73.8	86.1	0	0	0	0	114.9
1013	P	33.5	Very low	28.2	Very low	107 Å²	107	132.7 Å²	132.7	70%	0.695	71%	0.705	S	S	*	*				-150.6	170	84.6	41.5	-24.6	0	0	0	117.2
1014	L	26.3	Very low	28.2	Very low	151 Å²	151	129.3 Å²	129.3	79%	0.791	70%	0.704	S	S	*	*			trans	26.4	130.4	136.1	-55.3	171.4	0	0	0	117.9
1015	N	29.8	Very low	28.3	Very low	144 Å²	144	125 Å²	125	77%	0.77	70%	0.698	S	S	*	*			cis	-169.3	171.9	34.4	-100.5	-18.4	0	0	0	108.2
1016	S	30.1	Very low	28.3	Very low	88 Å²	88	126.9 Å²	126.9	62%	0.615	71%	0.707	S	S	*	*			cis	-173.1	140.3	-14.7	53.5	0	0	0	0	106.8
1017	S	29.9	Very low	28.4	Very low	105 Å²	105	125.2 Å²	125.2	73%	0.734	71%	0.708	S	S	*	*				62.1	150.7	106.5	-52.1	0	0	0	0	116.7
1018	I	28.1	Very low	28.6	Very low	134 Å²	134	122 Å²	122	69%	0.687	71%	0.711	S	S	*	*			cis	-164.8	156.6	-3.7	-109.5	165.3	0	0	0	104.1
1019	C	30	Very low	28.7	Very low	106 Å²	106	118.5 Å²	118.5	72%	0.716	71%	0.713	S	S	*	*			cis	-133	167.3	36	-42.9	0	0	0	0	110.5
1020	D	27.5	Very low	28.7	Very low	110 Å²	110	117.7 Å²	117.7	59%	0.588	71%	0.713	S	S	*	*			cis	66.2	135	37.2	-45.4	-57.4	0	0	0	112.9
1021	F	29.3	Very low	28.8	Very low	182 Å²	182	118.4 Å²	118.4	80%	0.798	71%	0.713	S	S	*	*			cis	-127.3	147.5	20.5	-88.4	-114.5	0	0	0	110.8
1022	I	27	Very low	28.8	Very low	135 Å²	135	119.6 Å²	119.6	69%	0.692	72%	0.716	S	S	*	*				89	140	56	-80.3	172.2	0	0	0	113.6
1023	P	33.3	Very low	28.8	Very low	125 Å²	125	120.1 Å²	120.1	81%	0.812	72%	0.715	S	S	*	*			trans	-133.3	-172.8	-137.9	44.6	-29	0	0	0	116.3
1024	G	26	Very low	28.7	Very low	71 Å²	71	126.3 Å²	126.3	73%	0.732	72%	0.724	S	S	*	*			trans	111.6	167.4	161.5	0	0	0	0	0	115
1025	S	27.1	Very low	28.8	Very low	102 Å²	102	126.3 Å²	126.3	71%	0.713	73%	0.725	S	S	*	*			cis	-175.2	149.3	-13.6	53.7	0	0	0	0	109.8
1026	L	26.2	Very low	29	Very low	167 Å²	167	124.7 Å²	124.7	87%	0.874	72%	0.722	S	S	*	*			trans	65.5	159.4	164.1	-60.9	160.5	0	0	0	114.9
1027	S	27.7	Very low	29	Very low	86 Å²	86	128.3 Å²	128.3	60%	0.601	73%	0.733	S	S	*	*			cis	-165.2	174.6	-24.6	52.2	0	0	0	0	108.6
1028	S	28.7	Very low	28.8	Very low	99 Å²	99	128.3 Å²	128.3	69%	0.692	73%	0.733	S	S	*	*			trans	46.7	135.4	142.8	59.4	0	0	0	0	120.8
1029	S	28.1	Very low	29	Very low	95 Å²	95	127 Å²	127	66%	0.664	73%	0.733	S	S	*	*			cis	174.6	173.3	5.9	46.8	0	0	0	0	109.3
1030	T	27.6	Very low	28.7	Very low	119 Å²	119	127.6 Å²	127.6	73%	0.73	73%	0.734	S	S	*	*			trans	64.8	150.1	156.5	49.6	0	0	0	0	117.3
1031	Q	31.5	Very low	28.8	Very low	153 Å²	153	131.5 Å²	131.5	72%	0.715	75%	0.748	S	S	*	*			cis	-155.9	162.1	-0.5	-121.8	168.3	37.8	0	0	109.2
1032	N	27.5	Very low	28.8	Very low	133 Å²	133	125.9 Å²	125.9	71%	0.711	73%	0.727	S	S	*	*			trans	30.1	141.8	146.2	-46.2	-23	0	0	0	119.8
1033	V	28.8	Very low	29	Very low	111 Å²	111	121.3 Å²	121.3	67%	0.673	71%	0.706	S	S	*	*				-178.4	130	69.7	165.1	0	0	0	0	110.3
1034	R	32.3	Very low	28.8	Very low	236 Å²	236	121.1 Å²	121.1	89%	0.891	70%	0.695	S	S	*	*			trans	60.8	129.6	154.3	-65	166.2	-159.3	176.6	5.9	122.9
1035	D	27.9	Very low	28.9	Very low	152 Å²	152	122.7 Å²	122.7	81%	0.813	69%	0.691	S	S	*	*			trans	-69.9	-174.8	149.4	-40.5	-95.1	0	0	0	111.8
1036	P	33.6	Very low	28.9	Very low	110 Å²	110	124.8 Å²	124.8	71%	0.714	69%	0.694	S	S	*	*			cis	-141.5	-160.4	5.5	31	-4	0	0	0	115.4
1037	I	30.7	Very low	29.1	Very low	163 Å²	163	124.7 Å²	124.7	84%	0.836	69%	0.693	S	S	*	*			trans	97.7	125	158.1	-57.2	165.6	0	0	0	117.2
1038	S	25.6	Very low	28.9	Very low	105 Å²	105	126.2 Å²	126.2	73%	0.734	70%	0.699	S	S	*	*			trans	-93.3	162.7	171	43.7	0	0	0	0	110.4
1039	P	32	Very low	28.8	Very low	108 Å²	108	129.4 Å²	129.4	70%	0.701	70%	0.703	S	S	*	*			cis	-150	178.4	43.7	43.4	-22.2	0	0	0	118.6
1040	T	24.9	Very low	28.8	Very low	117 Å²	117	130.1 Å²	130.1	72%	0.718	71%	0.706	S	S	*	*			trans	30	105	151.9	54.3	0	0	0	0	120.1
1041	Q	29.5	Very low	28.8	Very low	192 Å²	192	130.2 Å²	130.2	90%	0.897	71%	0.709	S	S	*	*				-161.9	162.1	117.2	-103.1	157.9	49.3	0	0	110.9
1042	N	28.2	Very low	28.6	Very low	65 Å²	65	132 Å²	132	35%	0.348	72%	0.718	S	S	.	*			trans	-110.7	175.2	177.5	-114	-30.3	0	0	0	107.2	L687 L688	L687-N1042 HydrophobicContact CD2-CB 3.62Å; L687-N1042 WeakPolarHBondContact CD2-O 3.48Å; L688-N1042 HydrophobicContact CD2-CB 4.41Å; L688-N1042 WeakPolarHBondContact CD2-ND2 3.31Å
1043	P	32.3	Very low	28.6	Very low	39 Å²	39	132.8 Å²	132.8	25%	0.253	73%	0.727	S	S	.	*			cis	-147.8	-149.9	20.4	46.5	-24.6	0	0	0	115.3	L686 L687	L686-P1043 HydrophobicContact CB-CG 3.41Å; L686-P1043 VanDerWaalsContact CB-CG 3.41Å; L686-P1043 HydrophobicContact CD1-CG 4.29Å; L686-P1043 HydrophobicContact CD2-CG 3.46Å; L686-P1043 VanDerWaalsContact CD2-CG 3.46Å; L686-P1043 HydrophobicContact CG-CG 3.82Å; L687-P1043 HydrophobicContact CD2-CB 4.38Å; L687-P1043 HydrophobicContact CD2-CG 4.46Å
1044	M	27.8	Very low	28.4	Very low	120 Å²	120	133.2 Å²	133.2	59%	0.591	73%	0.726	S	S	*	*			trans	-33.5	160.8	164.1	-57.2	156.2	69.7	0	0	116.5	L686	L686-M1044 WeakPolarHBondContact CD2-O 3.23Å
1045	T	28.7	Very low	28.1	Very low	105 Å²	105	134.7 Å²	134.7	64%	0.644	73%	0.731	S	S	*	*			cis	-151.7	167.7	43.8	44	0	0	0	0	115.8
1046	N	26.7	Very low	28	Very low	146 Å²	146	132.7 Å²	132.7	78%	0.781	73%	0.729	S	S	*	*			trans	62.8	117.6	156.4	-62.7	-7.7	0	0	0	120.7
1047	I	30.4	Very low	27.7	Very low	164 Å²	164	132.2 Å²	132.2	84%	0.841	73%	0.729	S	S	*	*				-158	147.8	99.6	-97.8	160.3	0	0	0	110.9
1048	T	25.1	Very low	27.4	Very low	118 Å²	118	130.4 Å²	130.4	72%	0.724	73%	0.729	S	S	*	*			trans	-53.1	169.6	175.2	8.3	0	0	0	0	114.3
1049	Q	26.7	Very low	27.3	Very low	166 Å²	166	133.3 Å²	133.3	78%	0.776	74%	0.736	S	S	*	*			cis	-172.6	163.5	42.3	-142.4	170.1	-3.7	0	0	114.3
1050	C	26.2	Very low	27.1	Very low	110 Å²	110	134.1 Å²	134.1	74%	0.743	74%	0.74	S	S	*	*			trans	69.8	150.6	154.1	-72.1	0	0	0	0	121.9
1051	P	29.6	Very low	27.3	Very low	122 Å²	122	136 Å²	136	79%	0.792	75%	0.745	S	S	*	*			cis	-123.6	138.2	-22.8	36.6	-21.4	0	0	0	113.7
1052	E	26.8	Very low	27.3	Very low	191 Å²	191	132.5 Å²	132.5	89%	0.893	74%	0.736	S	S	*	*			trans	-88.3	169.7	175.4	-67.3	-173.2	131.1	0	0	113.4	N1054	E1052-N1054 PolarHBondContact O-N 2.88Å
1053	T	26.1	Very low	27.3	Very low	148 Å²	148	137.4 Å²	137.4	91%	0.908	76%	0.762	S	S	*	*			trans	-57.6	122.9	179.7	49	0	0	0	0	113.4
1054	N	24.5	Very low	27	Very low	120 Å²	120	143.1 Å²	143.1	64%	0.642	79%	0.786	S	S	*	*			trans	-143.8	83.7	167.3	-170	0.7	0	0	0	112.4	E1052	E1052-N1054 PolarHBondContact O-N 2.88Å
1055	W	26.9	Very low	27.2	Very low	267 Å²	267	145 Å²	145	100%	1.011	80%	0.798	S	S	*	*			trans	-122.9	38.7	173.7	-108.6	26.4	0	0	0	112
1056	S	25.3	Very low	27.1	Very low	110 Å²	110	149.9 Å²	149.9	77%	0.769	81%	0.805	S	S	*	*	S	Bend	trans	-141.7	27.4	177.7	63.9	0	0	0	0	115.5
1057	S	27	Very low	27.3	Very low	101 Å²	101	147.3 Å²	147.3	71%	0.706	80%	0.796	S	S	*	*			trans	-149.4	73.4	169.8	-80.7	0	0	0	0	112.8
1058	C	25	Very low	27.4	Very low	125 Å²	125	145.2 Å²	145.2	85%	0.845	79%	0.793	S	S	*	*			trans	-157.3	49.4	163.9	-128.6	0	0	0	0	114.7
1059	N	24.9	Very low	27.6	Very low	165 Å²	165	147.8 Å²	147.8	88%	0.882	79%	0.794	S	S	*	*			trans	-92.6	117.5	136.6	-66.7	-36.3	0	0	0	103.4
1060	T	27.6	Very low	27.7	Very low	125 Å²	125	146.2 Å²	146.2	77%	0.767	80%	0.796	S	S	*	*	S	Bend		-162.6	176.6	58.3	-49.2	0	0	0	0	108.8
1061	L	28.8	Very low	28	Very low	158 Å²	158	145.4 Å²	145.4	83%	0.827	79%	0.791	S	S	*	*			trans	77.7	96.3	-177.7	-65.8	168	0	0	0	114.3
1062	V	28.2	Very low	28	Very low	118 Å²	118	147 Å²	147	72%	0.715	79%	0.794	S	S	*	*			trans	-36.6	137.8	148.1	-85.2	0	0	0	0	112.8	E1064	V1062-E1064 HydrophobicContact CG1-CG 4.31Å
1063	D	28.6	Very low	28.2	Very low	167 Å²	167	147.1 Å²	147.1	89%	0.893	79%	0.791	S	S	*	*			trans	-126.1	114.9	130.1	-136.9	-22.4	0	0	0	106.8
1064	E	27.5	Very low	28.4	Very low	160 Å²	160	146 Å²	146	75%	0.748	79%	0.788	S	S	*	*			trans	-89.1	111.8	175.6	-69.3	-165.2	140.7	0	0	108.3	V1062	V1062-E1064 HydrophobicContact CG1-CG 4.31Å
1065	N	29.9	Very low	29.6	Very low	160 Å²	160	149.3 Å²	149.3	86%	0.856	80%	0.8	S	S	*	*			trans	173	69.7	146.8	-90.9	-45.2	0	0	0	113.2
1066	W	28.3	Very low	31.2	Very low	207 Å²	207	139.5 Å²	139.5	78%	0.784	78%	0.781	S	S	*	*			trans	-148.8	129	152.7	-159.9	-97.2	0	0	0	111.9
1067	P	29.5	Very low	33.9	Very low	91 Å²	91	140.7 Å²	140.7	59%	0.591	78%	0.779	S	S	*	*			trans	-72.3	140	178.8	29.5	-34.2	0	0	0	111	K1069	P1067-K1069 PolarHBondContact O-N 2.97Å
1068	P	32.6	Very low	37	Very low	120 Å²	120	137.1 Å²	137.1	78%	0.779	75%	0.752	S	S	*	*			trans	-67.5	110.2	177	27.6	-33.3	0	0	0	109.9	T1070	P1068-T1070 PolarHBondContact O-N 3.4Å
1069	K	30.6	Very low	40.3	Very low	172 Å²	172	131.2 Å²	131.2	75%	0.748	71%	0.712	S	S	*	*			trans	-66.5	97.6	170.7	-74.2	-174.5	176.3	-179.7	0	109.3	P1067 S1071	P1067-K1069 PolarHBondContact O-N 2.97Å; K1069-S1071 PolarHBondContact O-N 3.19Å; K1069-S1071 VanDerWaalsContact O-N 3.15Å
1070	T	27.5	Very low	43.6	Very low	134 Å²	134	123.4 Å²	123.4	82%	0.822	67%	0.67	S	S	*	*			trans	-65	107	165.5	48.2	0	0	0	0	108.7	P1068	P1068-T1070 PolarHBondContact O-N 3.4Å
1071	S	31.9	Very low	46.9	Very low	92 Å²	92	117.4 Å²	117.4	64%	0.643	63%	0.633	S	S	*	*			trans	-124.4	107.9	173.8	65.8	0	0	0	0	110.1	K1069 K1073	K1069-S1071 PolarHBondContact O-N 3.19Å; K1069-S1071 VanDerWaalsContact O-N 3.15Å; S1071-K1073 PolarHBondContact O-N 3.07Å
1072	D	31.5	Very low	50.1	Low	157 Å²	157	110.7 Å²	110.7	84%	0.84	60%	0.602	S	S	*	*			trans	-61.2	122.1	178.6	-63.4	-78.8	0	0	0	111.9
1073	K	30.2	Very low	53.2	Low	193 Å²	193	105.3 Å²	105.3	84%	0.839	57%	0.57	S	S	*	*			trans	-138.8	31.3	170.4	-74.6	-164.1	172.7	-175.4	0	112.6	S1071	S1071-K1073 PolarHBondContact O-N 3.07Å
1074	C	31	Very low	56.3	Low	124 Å²	124	101.4 Å²	101.4	84%	0.838	55%	0.549	S	S	*	.			trans	-125.8	51.9	179.4	-64.1	0	0	0	0	112.2
1075	Q	49.1	Very low	59.4	Low	190 Å²	190	95.5 Å²	95.5	89%	0.888	52%	0.522	S	S	*	.			trans	-124.8	73.6	167	-74.1	-173.7	-14.3	0	0	109.6
1076	G	60.4	Low	62.4	Low	61 Å²	61	89.8 Å²	89.8	63%	0.629	50%	0.495	S	S	*	.			trans	-65.8	147.6	158.2	0	0	0	0	0	109.2	I1078	G1076-I1078 WeakPolarHBondContact O-CG1 3.26Å; G1076-I1078 PolarHBondContact O-N 3.01Å
1077	N	82.6	Confident	65.5	Low	134 Å²	134	85.5 Å²	85.5	72%	0.717	49%	0.493	S	S	*	.			trans	-69.3	101.5	-177.5	-170.3	2.9	0	0	0	110.4
1078	I	91.4	Very high	68.6	Low	27 Å²	27	85.3 Å²	85.3	14%	0.138	50%	0.495	C	S	.	.			trans	-77.5	128.4	-179.5	-52.4	-175.5	0	0	0	108.8	G1076 V1080 V1102 S1103 L1159	G1076-I1078 WeakPolarHBondContact O-CG1 3.26Å; G1076-I1078 PolarHBondContact O-N 3.01Å; I1078-V1080 HydrophobicContact CG2-CG2 3.85Å; I1078-V1102 HydrophobicContact CB-CB 4.41Å; I1078-V1102 HydrophobicContact CB-CG1 3.78Å; I1078-V1102 HydrophobicContact CB-CG2 3.95Å; I1078-V1102 HydrophobicContact CD1-CG2 4.28Å; I1078-V1102 HydrophobicContact CG2-CB 4.45Å; I1078-V1102 HydrophobicContact CG2-CG1 3.47Å; I1078-V1102 VanDerWaalsContact CG2-CG1 3.47Å; I1078-V1102 HydrophobicContact CG2-CG2 4.16Å; I1078-S1103 PolarHBondContact O-N 3.33Å; I1078-S1103 PolarHBondContact O-OG 2.93Å; I1078-L1159 HydrophobicContact CD1-CD1 3.8Å
1079	A	94.1	Very high	71.5	Confident	1 Å²	1	80 Å²	80	1%	0.008	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	114	177.2	0	0	0	0	0	108.8	S1103 K1112 T1114 H1115	A1079-S1103 CarbonylContact C-O 3.54Å; A1079-S1103 VanDerWaalsContact CA-O 3.32Å; A1079-S1103 WeakPolarHBondContact CA-O 3.35Å; A1079-S1103 WeakPolarHBondContact CA-OG 3.44Å; A1079-S1103 WeakPolarHBondContact CB-OG 3.46Å; A1079-K1112 VanDerWaalsContact CB-O 3.3Å; A1079-K1112 WeakPolarHBondContact CB-O 3.26Å; A1079-T1114 PolarHBondContact N-OG1 3.3Å; A1079-T1114 PolarHBondContact O-N 3.05Å; A1079-T1114 PolarHBondContact O-OG1 3.17Å; A1079-H1115 PolarHBondContact O-N 3.18Å
1080	V	95.4	Very high	74.6	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.2	-171.1	-170	0	0	0	0	110.3	I1078 L1093 F1096 V1102 S1103 H1105 H1115 V1117	I1078-V1080 HydrophobicContact CG2-CG2 3.85Å; V1080-L1093 HydrophobicContact CB-CD1 4.44Å; V1080-L1093 HydrophobicContact CG1-CD1 3.81Å; V1080-L1093 HydrophobicContact CG1-CD2 4.29Å; V1080-F1096 HydrophobicContact CG2-CE1 4.31Å; V1080-V1102 HydrophobicContact CG2-CG1 3.48Å; V1080-V1102 VanDerWaalsContact CG2-CG1 3.48Å; V1080-S1103 PolarHBondContact N-O 3.1Å; V1080-H1105 PolarHBondContact O-N 3.38Å; V1080-H1115 WeakPolarHBondContact CA-O 3.42Å; V1080-H1115 HydrophobicContact CB-CB 4.5Å; V1080-H1115 HydrophobicContact CG1-CB 4.34Å; V1080-H1115 HydrophobicContact CG2-CB 4.08Å; V1080-V1117 HydrophobicContact CG1-CB 4.25Å; V1080-V1117 HydrophobicContact CG1-CG2 3.55Å
1081	T	95.6	Very high	77.8	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.4	159.5	-165.2	0	0	0	0	110.5	H1105 S1106 F1108 T1113 H1115 V1116 V1117 K1133	T1081-H1105 WeakPolarHBondContact CA-O 3.27Å; T1081-H1105 VanDerWaalsContact CB-O 3.23Å; T1081-H1105 WeakPolarHBondContact CB-O 3.46Å; T1081-H1105 PolarHBondContact OG1-O 2.89Å; T1081-S1106 PolarHBondContact OG1-O 3.47Å; T1081-F1108 HydrophobicContact CG2-CB 4.38Å; T1081-F1108 HydrophobicContact CG2-CD2 3.92Å; T1081-T1113 HydrophobicContact CG2-CG2 3.94Å; T1081-H1115 PolarHBondContact N-O 2.9Å; T1081-V1116 HydrophobicContact CG2-CG1 4.32Å; T1081-V1116 HydrophobicContact CG2-CG2 4.07Å; T1081-V1116 WeakPolarHBondContact O-CA 3.42Å; T1081-V1117 PolarHBondContact O-N 3Å; T1081-K1133 HydrophobicContact CG2-CB 4.49Å; T1081-K1133 HydrophobicContact CG2-CD 3.99Å
1082	G	95.4	Very high	80.8	Confident	16 Å²	16	67.6 Å²	67.6	17%	0.165	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140.6	171.9	0	0	0	0	0	111.7	V1117 K1133	G1082-V1117 CarbonylContact C-O 3.39Å; G1082-V1117 WeakPolarHBondContact CA-O 3.49Å; G1082-K1133 WeakPolarHBondContact O-CD 3.42Å; G1082-K1133 PolarHBondContact O-NZ 3.48Å
1083	S	95.2	Very high	83.8	Confident	5 Å²	5	60.3 Å²	60.3	4%	0.035	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137.5	172.3	-156.5	0	0	0	0	111.6	L1085 V1117 I1118 K1119 T1131	S1083-L1085 WeakPolarHBondContact O-CD2 3.29Å; S1083-L1085 PolarHBondContact O-N 2.95Å; S1083-L1085 VanDerWaalsContact O-N 3.08Å; S1083-V1117 PolarHBondContact N-O 3.45Å; S1083-I1118 WeakPolarHBondContact O-CA 3.34Å; S1083-K1119 PolarHBondContact O-N 3.37Å; S1083-T1131 WeakPolarHBondContact OG-CB 3.41Å; S1083-T1131 PolarHBondContact OG-OG1 2.94Å
1084	N	92.5	Very high	86.9	Confident	85 Å²	85	58.5 Å²	58.5	46%	0.455	35%	0.35	S	S	.	.	S	Bend	trans	49.6	30.7	-178	-159.2	40	0	0	0	114.8	K1119 T1131	N1084-K1119 WeakPolarHBondContact O-CB 3.47Å; N1084-T1131 HydrophobicContact CB-CG2 4.25Å
1085	L	93.7	Very high	90	Very high	37 Å²	37	58.2 Å²	58.2	19%	0.194	34%	0.335	C	S	.	.			trans	-81.6	139.2	-176.1	-60.1	-170.2	0	0	0	111.4	S1083 D1089 A1090 L1093 V1117 K1119 T1147	S1083-L1085 WeakPolarHBondContact O-CD2 3.29Å; S1083-L1085 PolarHBondContact O-N 2.95Å; S1083-L1085 VanDerWaalsContact O-N 3.08Å; L1085-D1089 HydrophobicContact CB-CB 4.09Å; L1085-D1089 HydrophobicContact CD2-CB 4.3Å; L1085-A1090 HydrophobicContact CB-CB 4.31Å; L1085-L1093 HydrophobicContact CD1-CB 4.42Å; L1085-L1093 HydrophobicContact CD1-CD2 3.81Å; L1085-V1117 HydrophobicContact CD2-CG1 4.26Å; L1085-K1119 HydrophobicContact CD2-CB 4.42Å; L1085-T1147 HydrophobicContact CD2-CG2 3.49Å; L1085-T1147 VanDerWaalsContact CD2-CG2 3.49Å
1086	S	92.7	Very high	92.2	Very high	39 Å²	39	49.2 Å²	49.2	27%	0.273	29%	0.292	S	S	.	.			trans	-67.2	159.5	165.7	76	0	0	0	0	110.7	S1088 D1089 A1090	S1086-S1088 PolarHBondContact O-N 3.12Å; S1086-S1088 VanDerWaalsContact O-N 3.14Å; S1086-S1088 PolarHBondContact OG-OG 3.41Å; S1086-S1088 VanDerWaalsContact OG-OG 3.11Å; S1086-D1089 WeakPolarHBondContact CB-OD2 3.41Å; S1086-D1089 PolarHBondContact O-N 3.15Å; S1086-D1089 VanDerWaalsContact O-N 3.09Å; S1086-D1089 VanDerWaalsContact OG-CG 3.28Å; S1086-D1089 PolarHBondContact OG-N 2.73Å; S1086-D1089 PolarHBondContact OG-OD2 3.24Å; S1086-A1090 WeakPolarHBondContact O-CB 3.38Å; S1086-A1090 PolarHBondContact O-N 2.85Å
1087	P	93.2	Very high	93.8	Very high	117 Å²	117	46.8 Å²	46.8	76%	0.76	27%	0.266	S	S	*	.	H	α-helix	trans	-56.5	-31.4	178.3	-27.7	36.2	0	0	0	114.1	A1091	P1087-A1091 WeakPolarHBondContact O-CB 3.36Å; P1087-A1091 PolarHBondContact O-N 3.36Å
1088	S	93.8	Very high	94.4	Very high	88 Å²	88	47.3 Å²	47.3	62%	0.615	27%	0.268	S	S	*	.	H	α-helix	trans	-78	-37.6	175.8	53.5	0	0	0	0	112.9	S1086 A1090 A1091 L1092	S1086-S1088 PolarHBondContact O-N 3.12Å; S1086-S1088 VanDerWaalsContact O-N 3.14Å; S1086-S1088 PolarHBondContact OG-OG 3.41Å; S1086-S1088 VanDerWaalsContact OG-OG 3.11Å; S1088-A1090 VanDerWaalsContact C-N 3.32Å; S1088-A1091 PolarHBondContact O-N 3.39Å; S1088-L1092 WeakPolarHBondContact O-CB 3.29Å; S1088-L1092 PolarHBondContact O-N 2.71Å
1089	D	94.7	Very high	94.5	Very high	9 Å²	9	49.4 Å²	49.4	5%	0.048	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-39.4	170.5	-65.5	-67.1	0	0	0	110.9	L1085 S1086 L1092 L1093 K1119 T1147 R1151	L1085-D1089 HydrophobicContact CB-CB 4.09Å; L1085-D1089 HydrophobicContact CD2-CB 4.3Å; S1086-D1089 WeakPolarHBondContact CB-OD2 3.41Å; S1086-D1089 PolarHBondContact O-N 3.15Å; S1086-D1089 VanDerWaalsContact O-N 3.09Å; S1086-D1089 VanDerWaalsContact OG-CG 3.28Å; S1086-D1089 PolarHBondContact OG-N 2.73Å; S1086-D1089 PolarHBondContact OG-OD2 3.24Å; D1089-L1092 PolarHBondContact O-N 3.44Å; D1089-L1093 PolarHBondContact O-N 2.88Å; D1089-K1119 VanDerWaalsContact CG-NZ 3.3Å; D1089-K1119 IonicContact OD1-NZ 2.78Å; D1089-K1119 PolarHBondContact OD1-NZ 2.82Å; D1089-K1119 WeakPolarHBondContact OD2-CD 3.45Å; D1089-K1119 WeakPolarHBondContact OD2-CE 2.95Å; D1089-K1119 IonicContact OD2-NZ 2.91Å; D1089-K1119 PolarHBondContact OD2-NZ 3.39Å; D1089-T1147 HydrophobicContact CB-CG2 4.14Å; D1089-R1151 IonicContact OD1-CZ 2.84Å; D1089-R1151 IonicContact OD1-NH1 3.27Å; D1089-R1151 PolarHBondContact OD1-NH1 3.1Å
1090	A	94.5	Very high	94.4	Very high	31 Å²	31	51.4 Å²	51.4	26%	0.256	29%	0.286	S	S	.	.	H	α-helix	trans	-68.3	-40.7	177.1	0	0	0	0	0	112.7	L1085 S1086 S1088 L1092 L1093 R1094	L1085-A1090 HydrophobicContact CB-CB 4.31Å; S1086-A1090 WeakPolarHBondContact O-CB 3.38Å; S1086-A1090 PolarHBondContact O-N 2.85Å; S1088-A1090 VanDerWaalsContact C-N 3.32Å; A1090-L1092 VanDerWaalsContact C-N 3.29Å; A1090-L1092 PolarHBondContact O-N 3.11Å; A1090-L1093 PolarHBondContact O-N 2.97Å; A1090-R1094 PolarHBondContact O-N 2.89Å
1091	A	95	Very high	94.2	Very high	58 Å²	58	57 Å²	57	48%	0.479	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-35.7	172.1	0	0	0	0	0	112.1	P1087 S1088 R1094 K1095	P1087-A1091 WeakPolarHBondContact O-CB 3.36Å; P1087-A1091 PolarHBondContact O-N 3.36Å; S1088-A1091 PolarHBondContact O-N 3.39Å; A1091-R1094 PolarHBondContact O-N 3.25Å; A1091-K1095 PolarHBondContact O-N 3.06Å
1092	L	95	Very high	94.1	Very high	47 Å²	47	57.7 Å²	57.7	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-70.8	-35.2	174.9	-176	136.8	0	0	0	112.3	S1088 D1089 A1090 K1095 F1096 V1150 R1151	S1088-L1092 WeakPolarHBondContact O-CB 3.29Å; S1088-L1092 PolarHBondContact O-N 2.71Å; D1089-L1092 PolarHBondContact O-N 3.44Å; A1090-L1092 VanDerWaalsContact C-N 3.29Å; A1090-L1092 PolarHBondContact O-N 3.11Å; L1092-K1095 PolarHBondContact O-N 3.19Å; L1092-F1096 PolarHBondContact O-N 3.29Å; L1092-V1150 HydrophobicContact CD2-CB 3.88Å; L1092-V1150 HydrophobicContact CD2-CG1 3.53Å; L1092-R1151 HydrophobicContact CD1-CG 3.81Å; L1092-R1151 HydrophobicContact CD2-CG 3.83Å
1093	L	95.7	Very high	93.9	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-47.5	169.8	177.9	58.8	0	0	0	111.5	V1080 L1085 D1089 A1090 K1095 F1096 C1097 V1117 V1150	V1080-L1093 HydrophobicContact CB-CD1 4.44Å; V1080-L1093 HydrophobicContact CG1-CD1 3.81Å; V1080-L1093 HydrophobicContact CG1-CD2 4.29Å; L1085-L1093 HydrophobicContact CD1-CB 4.42Å; L1085-L1093 HydrophobicContact CD1-CD2 3.81Å; D1089-L1093 PolarHBondContact O-N 2.88Å; A1090-L1093 PolarHBondContact O-N 2.97Å; L1093-K1095 VanDerWaalsContact C-N 3.27Å; L1093-K1095 PolarHBondContact O-N 2.91Å; L1093-F1096 HydrophobicContact CD1-CD1 4.17Å; L1093-F1096 WeakPolarHBondContact O-CA 3.4Å; L1093-F1096 WeakPolarHBondContact O-CB 3.3Å; L1093-F1096 PolarHBondContact O-N 3.34Å; L1093-C1097 PolarHBondContact O-N 3.49Å; L1093-C1097 PolarHBondContact O-SG 3.07Å; L1093-V1117 HydrophobicContact CD1-CG2 4.33Å; L1093-V1150 HydrophobicContact CD1-CG1 4.33Å; L1093-V1150 HydrophobicContact CD1-CG2 4.47Å
1094	R	95.3	Very high	93.8	Very high	156 Å²	156	61.4 Å²	61.4	59%	0.589	35%	0.345	S	S	*	.	H	α-helix	trans	-56.8	-41.7	174.8	-74.1	172.8	179.9	-171.6	3.2	112.4	A1090 A1091 C1097 L1098 E1104	A1090-R1094 PolarHBondContact O-N 2.89Å; A1091-R1094 PolarHBondContact O-N 3.25Å; R1094-C1097 PolarHBondContact O-N 3.32Å; R1094-L1098 WeakPolarHBondContact O-CG 3.27Å; R1094-L1098 PolarHBondContact O-N 2.9Å; R1094-E1104 WeakPolarHBondContact CA-OE2 3.43Å; R1094-E1104 WeakPolarHBondContact CG-OE1 3.2Å; R1094-E1104 WeakPolarHBondContact CG-OE2 3.14Å; R1094-E1104 IonicContact NE-OE1 3.34Å; R1094-E1104 PolarHBondContact NE-OE1 3.02Å
1095	K	94.3	Very high	93.7	Very high	118 Å²	118	59 Å²	59	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-43	173.9	-177.6	-178.8	176.3	-176.2	0	112.4	A1091 L1092 L1093 Q1099 V1154	A1091-K1095 PolarHBondContact O-N 3.06Å; L1092-K1095 PolarHBondContact O-N 3.19Å; L1093-K1095 VanDerWaalsContact C-N 3.27Å; L1093-K1095 PolarHBondContact O-N 2.91Å; K1095-Q1099 WeakPolarHBondContact O-CB 3.24Å; K1095-Q1099 PolarHBondContact O-N 3.16Å; K1095-V1154 HydrophobicContact CD-CG1 4.11Å
1096	F	96.3	Very high	93.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-46.7	173.8	167.3	-88.8	0	0	0	111.7	V1080 L1092 L1093 L1098 Q1099 F1100 V1102 W1149 V1150 C1153 V1154 L1159	V1080-F1096 HydrophobicContact CG2-CE1 4.31Å; L1092-F1096 PolarHBondContact O-N 3.29Å; L1093-F1096 HydrophobicContact CD1-CD1 4.17Å; L1093-F1096 WeakPolarHBondContact O-CA 3.4Å; L1093-F1096 WeakPolarHBondContact O-CB 3.3Å; L1093-F1096 PolarHBondContact O-N 3.34Å; F1096-L1098 PolarHBondContact O-N 2.9Å; F1096-Q1099 PolarHBondContact O-N 3.42Å; F1096-Q1099 VanDerWaalsContact O-N 3.12Å; F1096-F1100 AromaticContact CD2-CD2 3.46Å; F1096-F1100 HydrophobicContact CD2-CD2 3.46Å; F1096-F1100 VanDerWaalsContact CD2-CD2 3.46Å; F1096-F1100 AromaticContact CD2-CE2 3.64Å; F1096-F1100 HydrophobicContact CD2-CE2 3.64Å; F1096-F1100 AromaticContact CE2-CD2 3.6Å; F1096-F1100 HydrophobicContact CE2-CD2 3.6Å; F1096-F1100 AromaticContact CE2-CE2 3.88Å; F1096-F1100 HydrophobicContact CE2-CE2 3.88Å; F1096-F1100 HydrophobicContact CG-CD2 4.06Å; F1096-F1100 HydrophobicContact CZ-CD2 4.31Å; F1096-F1100 WeakPolarHBondContact O-CD2 3.29Å; F1096-F1100 PolarHBondContact O-N 3.43Å; F1096-V1102 HydrophobicContact CE1-CB 4.24Å; F1096-V1102 HydrophobicContact CE1-CG1 4.09Å; F1096-V1102 HydrophobicContact CE1-CG2 4.14Å; F1096-W1149 HydrophobicContact CE1-CH2 4.24Å; F1096-W1149 HydrophobicContact CE1-CZ3 4.17Å; F1096-W1149 HydrophobicContact CE2-CH2 4.45Å; F1096-W1149 HydrophobicContact CE2-CZ3 4.49Å; F1096-W1149 AromaticContact CZ-CH2 3.63Å; F1096-W1149 HydrophobicContact CZ-CH2 3.63Å; F1096-W1149 HydrophobicContact CZ-CZ2 4.2Å; F1096-W1149 AromaticContact CZ-CZ3 3.8Å; F1096-W1149 HydrophobicContact CZ-CZ3 3.8Å; F1096-V1150 HydrophobicContact CB-CG1 3.42Å; F1096-V1150 VanDerWaalsContact CB-CG1 3.42Å; F1096-V1150 HydrophobicContact CD1-CG1 4.31Å; F1096-V1150 HydrophobicContact CD2-CG1 3.95Å; F1096-V1150 HydrophobicContact CG-CG1 3.67Å; F1096-C1153 HydrophobicContact CD2-CB 3.82Å; F1096-C1153 HydrophobicContact CE2-CB 3.57Å; F1096-V1154 HydrophobicContact CB-CG2 3.68Å; F1096-V1154 HydrophobicContact CD2-CG2 4.24Å; F1096-V1154 HydrophobicContact CG-CG2 4.48Å; F1096-L1159 HydrophobicContact CE2-CD2 3.7Å; F1096-L1159 HydrophobicContact CZ-CD2 3.73Å
1097	C	94.7	Very high	93.4	Very high	10 Å²	10	65.2 Å²	65.2	7%	0.068	36%	0.359	C	S	.	.	H	α-helix	trans	-58.3	-46.4	179.4	-64.3	0	0	0	0	111.8	L1093 R1094 S1101 V1102 E1104	L1093-C1097 PolarHBondContact O-N 3.49Å; L1093-C1097 PolarHBondContact O-SG 3.07Å; R1094-C1097 PolarHBondContact O-N 3.32Å; C1097-S1101 WeakPolarHBondContact O-CA 3.19Å; C1097-S1101 PolarHBondContact O-N 3.32Å; C1097-V1102 WeakPolarHBondContact CB-O 3.33Å; C1097-V1102 PolarHBondContact O-N 3.26Å; C1097-E1104 HydrophobicContact CB-CB 4.31Å; C1097-E1104 PolarHBondContact SG-OE2 3.47Å
1098	L	93.4	Very high	93.5	Very high	146 Å²	146	60.1 Å²	60.1	76%	0.764	33%	0.325	S	S	*	.	H	α-helix	trans	-63.8	-40.9	173.5	-68.5	169.5	0	0	0	112.9	R1094 F1096 F1100	R1094-L1098 WeakPolarHBondContact O-CG 3.27Å; R1094-L1098 PolarHBondContact O-N 2.9Å; F1096-L1098 PolarHBondContact O-N 2.9Å; L1098-F1100 PolarHBondContact O-N 3.34Å
1099	Q	93.3	Very high	93.4	Very high	71 Å²	71	59.1 Å²	59.1	33%	0.332	31%	0.312	S	S	.	.	H	α-helix	trans	-70.8	-29.6	-175.9	-176.4	172.5	-51.7	0	0	113.4	K1095 F1096 V1154	K1095-Q1099 WeakPolarHBondContact O-CB 3.24Å; K1095-Q1099 PolarHBondContact O-N 3.16Å; F1096-Q1099 PolarHBondContact O-N 3.42Å; F1096-Q1099 VanDerWaalsContact O-N 3.12Å; Q1099-V1154 PolarHBondContact NE2-O 3Å
1100	F	93.9	Very high	93.2	Very high	43 Å²	43	60.8 Å²	60.8	19%	0.189	32%	0.324	C	S	.	.	H	α-helix	trans	-115.5	8.3	-176.3	-64	-70.6	0	0	0	114.3	F1096 L1098 V1102 C1153 L1159	F1096-F1100 AromaticContact CD2-CD2 3.46Å; F1096-F1100 HydrophobicContact CD2-CD2 3.46Å; F1096-F1100 VanDerWaalsContact CD2-CD2 3.46Å; F1096-F1100 AromaticContact CD2-CE2 3.64Å; F1096-F1100 HydrophobicContact CD2-CE2 3.64Å; F1096-F1100 AromaticContact CE2-CD2 3.6Å; F1096-F1100 HydrophobicContact CE2-CD2 3.6Å; F1096-F1100 AromaticContact CE2-CE2 3.88Å; F1096-F1100 HydrophobicContact CE2-CE2 3.88Å; F1096-F1100 HydrophobicContact CG-CD2 4.06Å; F1096-F1100 HydrophobicContact CZ-CD2 4.31Å; F1096-F1100 WeakPolarHBondContact O-CD2 3.29Å; F1096-F1100 PolarHBondContact O-N 3.43Å; L1098-F1100 PolarHBondContact O-N 3.34Å; F1100-V1102 HydrophobicContact CB-CG2 3.76Å; F1100-V1102 PolarHBondContact O-N 3.35Å; F1100-C1153 HydrophobicContact CE2-CB 4.03Å; F1100-C1153 HydrophobicContact CZ-CB 4.37Å; F1100-C1153 WeakPolarHBondContact CZ-O 3.26Å; F1100-L1159 HydrophobicContact CB-CD2 4.07Å; F1100-L1159 HydrophobicContact CD1-CD2 3.89Å; F1100-L1159 HydrophobicContact CD1-CG 3.92Å; F1100-L1159 HydrophobicContact CD2-CD2 3.94Å; F1100-L1159 HydrophobicContact CE1-CD2 4.3Å; F1100-L1159 HydrophobicContact CE1-CG 4.26Å; F1100-L1159 HydrophobicContact CE2-CD2 4.34Å; F1100-L1159 HydrophobicContact CG-CD2 3.69Å; F1100-L1159 HydrophobicContact CG-CG 4.21Å; F1100-L1159 HydrophobicContact CZ-CD2 4.5Å
1101	S	90.7	Very high	92.7	Very high	116 Å²	116	68.6 Å²	68.6	81%	0.811	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	36.7	-175.3	-56.5	0	0	0	0	113.6	C1097	C1097-S1101 WeakPolarHBondContact O-CA 3.19Å; C1097-S1101 PolarHBondContact O-N 3.32Å
1102	V	92.4	Very high	92.6	Very high	15 Å²	15	70.6 Å²	70.6	9%	0.091	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-91.7	141.2	-177.5	170.4	0	0	0	0	110	I1078 V1080 F1096 C1097 F1100	I1078-V1102 HydrophobicContact CB-CB 4.41Å; I1078-V1102 HydrophobicContact CB-CG1 3.78Å; I1078-V1102 HydrophobicContact CB-CG2 3.95Å; I1078-V1102 HydrophobicContact CD1-CG2 4.28Å; I1078-V1102 HydrophobicContact CG2-CB 4.45Å; I1078-V1102 HydrophobicContact CG2-CG1 3.47Å; I1078-V1102 VanDerWaalsContact CG2-CG1 3.47Å; I1078-V1102 HydrophobicContact CG2-CG2 4.16Å; V1080-V1102 HydrophobicContact CG2-CG1 3.48Å; V1080-V1102 VanDerWaalsContact CG2-CG1 3.48Å; F1096-V1102 HydrophobicContact CE1-CB 4.24Å; F1096-V1102 HydrophobicContact CE1-CG1 4.09Å; F1096-V1102 HydrophobicContact CE1-CG2 4.14Å; C1097-V1102 WeakPolarHBondContact CB-O 3.33Å; C1097-V1102 PolarHBondContact O-N 3.26Å; F1100-V1102 HydrophobicContact CB-CG2 3.76Å; F1100-V1102 PolarHBondContact O-N 3.35Å
1103	S	92.2	Very high	92.5	Very high	33 Å²	33	68.6 Å²	68.6	23%	0.231	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	121	-177.7	60.7	0	0	0	0	112.4	I1078 A1079 V1080	I1078-S1103 PolarHBondContact O-N 3.33Å; I1078-S1103 PolarHBondContact O-OG 2.93Å; A1079-S1103 CarbonylContact C-O 3.54Å; A1079-S1103 VanDerWaalsContact CA-O 3.32Å; A1079-S1103 WeakPolarHBondContact CA-O 3.35Å; A1079-S1103 WeakPolarHBondContact CA-OG 3.44Å; A1079-S1103 WeakPolarHBondContact CB-OG 3.46Å; V1080-S1103 PolarHBondContact N-O 3.1Å
1104	E	92.7	Very high	92.5	Very high	67 Å²	67	70.8 Å²	70.8	31%	0.313	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.8	176.2	-170.1	173.8	136.3	0	0	111	R1094 C1097	R1094-E1104 WeakPolarHBondContact CA-OE2 3.43Å; R1094-E1104 WeakPolarHBondContact CG-OE1 3.2Å; R1094-E1104 WeakPolarHBondContact CG-OE2 3.14Å; R1094-E1104 IonicContact NE-OE1 3.34Å; R1094-E1104 PolarHBondContact NE-OE1 3.02Å; C1097-E1104 HydrophobicContact CB-CB 4.31Å; C1097-E1104 PolarHBondContact SG-OE2 3.47Å
1105	H	91.3	Very high	92.6	Very high	35 Å²	35	63.8 Å²	63.8	16%	0.162	33%	0.33	C	S	.	.			trans	-127.6	128.2	174.4	-65.7	-16.9	0	0	0	111.2	V1080 T1081 R1107 I1109 K1112	V1080-H1105 PolarHBondContact O-N 3.38Å; T1081-H1105 WeakPolarHBondContact CA-O 3.27Å; T1081-H1105 VanDerWaalsContact CB-O 3.23Å; T1081-H1105 WeakPolarHBondContact CB-O 3.46Å; T1081-H1105 PolarHBondContact OG1-O 2.89Å; H1105-R1107 WeakPolarHBondContact CB-O 3.42Å; H1105-I1109 HydrophobicContact CB-CD1 4.44Å; H1105-I1109 VanDerWaalsContact CD2-CD1 3.48Å; H1105-I1109 WeakPolarHBondContact CD2-CD1 3.38Å; H1105-K1112 PolarHBondContact CE1-NZ 3.13Å; H1105-K1112 VanDerWaalsContact NE2-CE 3.26Å; H1105-K1112 WeakPolarHBondContact NE2-CE 3.34Å; H1105-K1112 PolarHBondContact NE2-NZ 3.08Å
1106	S	88.9	Confident	92.8	Very high	87 Å²	87	58.1 Å²	58.1	61%	0.608	31%	0.305	S	S	*	.	S	Bend	trans	-63.5	-41.2	177.2	52	0	0	0	0	111.8	T1081 K1133	T1081-S1106 PolarHBondContact OG1-O 3.47Å; S1106-K1133 PolarHBondContact O-NZ 3.48Å
1107	R	91.3	Very high	92.8	Very high	119 Å²	119	58.2 Å²	58.2	45%	0.449	31%	0.306	S	S	.	.	S	Bend	trans	-96.9	155	174	-52.9	-178.6	-160.9	-173.1	1.6	110.7	Q971 H1105	Q971-R1107 PolarHBondContact O-NE 3.02Å; Q971-R1107 PolarHBondContact O-NH2 3.19Å; H1105-R1107 WeakPolarHBondContact CB-O 3.42Å
1108	F	93.4	Very high	92.9	Very high	10 Å²	10	57.8 Å²	57.8	4%	0.044	30%	0.303	C	S	.	.			trans	-72	131.9	166.8	-171.7	-81.5	0	0	0	109	T1081 P1110 T1113 V1116 K1133 M1136 N1140 A1142	T1081-F1108 HydrophobicContact CG2-CB 4.38Å; T1081-F1108 HydrophobicContact CG2-CD2 3.92Å; F1108-P1110 HydrophobicContact CD1-CG 4.49Å; F1108-T1113 HydrophobicContact CD2-CG2 3.69Å; F1108-T1113 HydrophobicContact CE2-CG2 3.51Å; F1108-T1113 HydrophobicContact CG-CG2 4.47Å; F1108-T1113 HydrophobicContact CZ-CG2 4.18Å; F1108-V1116 HydrophobicContact CD2-CG2 3.79Å; F1108-V1116 HydrophobicContact CE2-CG2 3.58Å; F1108-K1133 HydrophobicContact CB-CG 4.36Å; F1108-M1136 HydrophobicContact CB-CE 4.44Å; F1108-M1136 HydrophobicContact CB-SD 3.93Å; F1108-M1136 HydrophobicContact CD1-CB 3.68Å; F1108-M1136 HydrophobicContact CD1-CE 3.78Å; F1108-M1136 HydrophobicContact CD1-CG 4.44Å; F1108-M1136 HydrophobicContact CD1-SD 4.06Å; F1108-M1136 HydrophobicContact CD2-CB 4.25Å; F1108-M1136 HydrophobicContact CE1-CB 3.93Å; F1108-M1136 HydrophobicContact CE2-CB 4.49Å; F1108-M1136 HydrophobicContact CG-CB 3.87Å; F1108-M1136 HydrophobicContact CG-CE 4.46Å; F1108-M1136 HydrophobicContact CG-SD 4.19Å; F1108-M1136 HydrophobicContact CZ-CB 4.36Å; F1108-N1140 HydrophobicContact CE1-CB 3.86Å; F1108-N1140 HydrophobicContact CZ-CB 3.66Å; F1108-A1142 HydrophobicContact CE2-CB 4.38Å
1109	I	93	Very high	93	Very high	67 Å²	67	53.8 Å²	53.8	34%	0.344	28%	0.279	S	S	.	.			trans	-115.1	109.7	177.8	-55.8	-172.6	0	0	0	108.4	H1105 K1112 T1113	H1105-I1109 HydrophobicContact CB-CD1 4.44Å; H1105-I1109 VanDerWaalsContact CD2-CD1 3.48Å; H1105-I1109 WeakPolarHBondContact CD2-CD1 3.38Å; I1109-K1112 HydrophobicContact CB-CB 4.12Å; I1109-K1112 HydrophobicContact CD1-CD 4.41Å; I1109-K1112 HydrophobicContact CG2-CB 3.76Å; I1109-K1112 HydrophobicContact CG2-CD 4.22Å; I1109-K1112 PolarHBondContact O-N 3.03Å; I1109-K1112 VanDerWaalsContact O-N 3.15Å; I1109-T1113 PolarHBondContact N-OG1 2.96Å; I1109-T1113 PolarHBondContact O-N 2.97Å; I1109-T1113 PolarHBondContact O-OG1 3.44Å
1110	P	89.2	Confident	93	Very high	44 Å²	44	52.3 Å²	52.3	29%	0.286	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	143.2	176.8	-30.5	37	0	0	0	113.2	F1108 K1112 M1136 N1140	F1108-P1110 HydrophobicContact CD1-CG 4.49Å; P1110-K1112 PolarHBondContact O-N 2.7Å; P1110-M1136 HydrophobicContact CG-CE 4.05Å; P1110-N1140 WeakPolarHBondContact CA-OD1 3.26Å; P1110-N1140 WeakPolarHBondContact CB-OD1 3.14Å
1111	Q	85.3	Confident	92.9	Very high	194 Å²	194	52.4 Å²	52.4	91%	0.907	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	-18.6	-174.8	-51	177.1	6.7	0	0	116.8	N1140	Q1111-N1140 PolarHBondContact N-OD1 3.46Å
1112	K	91.7	Very high	92.8	Very high	101 Å²	101	51.5 Å²	51.5	44%	0.439	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-46.6	-178.5	-168.8	-172.2	-177.6	-167.3	0	112.8	A1079 H1105 I1109 P1110 T1114	A1079-K1112 VanDerWaalsContact CB-O 3.3Å; A1079-K1112 WeakPolarHBondContact CB-O 3.26Å; H1105-K1112 PolarHBondContact CE1-NZ 3.13Å; H1105-K1112 VanDerWaalsContact NE2-CE 3.26Å; H1105-K1112 WeakPolarHBondContact NE2-CE 3.34Å; H1105-K1112 PolarHBondContact NE2-NZ 3.08Å; I1109-K1112 HydrophobicContact CB-CB 4.12Å; I1109-K1112 HydrophobicContact CD1-CD 4.41Å; I1109-K1112 HydrophobicContact CG2-CB 3.76Å; I1109-K1112 HydrophobicContact CG2-CD 4.22Å; I1109-K1112 PolarHBondContact O-N 3.03Å; I1109-K1112 VanDerWaalsContact O-N 3.15Å; P1110-K1112 PolarHBondContact O-N 2.7Å; K1112-T1114 PolarHBondContact O-N 3.08Å
1113	T	94.6	Very high	92.7	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.031	31%	0.308	C	S	.	.			trans	-67.8	113.9	178.9	-64.1	0	0	0	0	109.6	T1081 F1108 I1109 H1115	T1081-T1113 HydrophobicContact CG2-CG2 3.94Å; F1108-T1113 HydrophobicContact CD2-CG2 3.69Å; F1108-T1113 HydrophobicContact CE2-CG2 3.51Å; F1108-T1113 HydrophobicContact CG-CG2 4.47Å; F1108-T1113 HydrophobicContact CZ-CG2 4.18Å; I1109-T1113 PolarHBondContact N-OG1 2.96Å; I1109-T1113 PolarHBondContact O-N 2.97Å; I1109-T1113 PolarHBondContact O-OG1 3.44Å; T1113-H1115 WeakPolarHBondContact CG2-O 3.44Å
1114	T	95.3	Very high	92.6	Very high	49 Å²	49	58.5 Å²	58.5	30%	0.301	32%	0.318	S	S	.	.			trans	-93.1	-21.2	179.9	51	0	0	0	0	112.9	A1079 K1112 A1142 W1143	A1079-T1114 PolarHBondContact N-OG1 3.3Å; A1079-T1114 PolarHBondContact O-N 3.05Å; A1079-T1114 PolarHBondContact O-OG1 3.17Å; K1112-T1114 PolarHBondContact O-N 3.08Å; T1114-A1142 WeakPolarHBondContact O-CA 3.31Å; T1114-A1142 WeakPolarHBondContact O-CB 3.08Å; T1114-W1143 PolarHBondContact O-N 3.18Å
1115	H	97.2	Very high	92.5	Very high	9 Å²	9	60 Å²	60	4%	0.042	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.8	-176.3	-63.5	71.3	0	0	0	112.2	A1079 V1080 T1081 T1113 W1143 W1149 E1162	A1079-H1115 PolarHBondContact O-N 3.18Å; V1080-H1115 WeakPolarHBondContact CA-O 3.42Å; V1080-H1115 HydrophobicContact CB-CB 4.5Å; V1080-H1115 HydrophobicContact CG1-CB 4.34Å; V1080-H1115 HydrophobicContact CG2-CB 4.08Å; T1081-H1115 PolarHBondContact N-O 2.9Å; T1113-H1115 WeakPolarHBondContact CG2-O 3.44Å; H1115-W1143 CarbonylContact C-O 3.6Å; H1115-W1143 WeakPolarHBondContact CA-O 3.27Å; H1115-W1143 AromaticContact CD2-CD1 3.93Å; H1115-W1143 AromaticContact CE1-CD1 3.83Å; H1115-W1143 AromaticContact NE2-CD1 3.39Å; H1115-W1143 AromaticContact NE2-CG 3.91Å; H1115-W1149 AromaticContact CD2-CH2 3.63Å; H1115-E1162 IonicContact NE2-OE1 3.67Å
1116	V	97.5	Very high	92.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	108.6	168.9	-176.6	0	0	0	0	107.7	T1081 F1108 K1133 A1142 W1143 I1144 V1145	T1081-V1116 HydrophobicContact CG2-CG1 4.32Å; T1081-V1116 HydrophobicContact CG2-CG2 4.07Å; T1081-V1116 WeakPolarHBondContact O-CA 3.42Å; F1108-V1116 HydrophobicContact CD2-CG2 3.79Å; F1108-V1116 HydrophobicContact CE2-CG2 3.58Å; V1116-K1133 HydrophobicContact CG1-CB 4.33Å; V1116-A1142 HydrophobicContact CG2-CB 4.42Å; V1116-W1143 PolarHBondContact N-O 2.91Å; V1116-I1144 HydrophobicContact CB-CG1 4.36Å; V1116-I1144 HydrophobicContact CB-CG2 4.49Å; V1116-I1144 WeakPolarHBondContact O-CA 3.47Å; V1116-V1145 PolarHBondContact O-N 3.38Å
1117	V	97.3	Very high	92.8	Very high	2 Å²	2	57 Å²	57	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.8	172.8	175.4	0	0	0	0	107.7	V1080 T1081 G1082 S1083 L1085 L1093 V1145 T1147 W1149 V1150	V1080-V1117 HydrophobicContact CG1-CB 4.25Å; V1080-V1117 HydrophobicContact CG1-CG2 3.55Å; T1081-V1117 PolarHBondContact O-N 3Å; G1082-V1117 CarbonylContact C-O 3.39Å; G1082-V1117 WeakPolarHBondContact CA-O 3.49Å; S1083-V1117 PolarHBondContact N-O 3.45Å; L1085-V1117 HydrophobicContact CD2-CG1 4.26Å; L1093-V1117 HydrophobicContact CD1-CG2 4.33Å; V1117-V1145 WeakPolarHBondContact CA-O 3.35Å; V1117-V1145 HydrophobicContact CG2-CG2 3.98Å; V1117-T1147 HydrophobicContact CG1-CG2 4.14Å; V1117-W1149 HydrophobicContact CG2-CE3 4.13Å; V1117-W1149 HydrophobicContact CG2-CZ3 4.1Å; V1117-V1150 HydrophobicContact CB-CG2 4.3Å; V1117-V1150 HydrophobicContact CG1-CG2 3.64Å; V1117-V1150 HydrophobicContact CG2-CG2 3.62Å
1118	I	96.8	Very high	93	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.2	-174.8	-176.3	161.1	0	0	0	111.7	S1083 V1128 Y1134 I1144 V1145 N1146 T1147 I1167	S1083-I1118 WeakPolarHBondContact O-CA 3.34Å; I1118-V1128 HydrophobicContact CB-CG1 4.48Å; I1118-V1128 HydrophobicContact CD1-CB 3.88Å; I1118-V1128 HydrophobicContact CD1-CG1 4.17Å; I1118-V1128 HydrophobicContact CD1-CG2 3.98Å; I1118-V1128 HydrophobicContact CG1-CB 4.13Å; I1118-V1128 HydrophobicContact CG1-CG1 3.97Å; I1118-V1128 HydrophobicContact CG2-CG1 3.79Å; I1118-Y1134 HydrophobicContact CD1-CD2 4.39Å; I1118-I1144 HydrophobicContact CG2-CG2 3.63Å; I1118-V1145 PolarHBondContact N-O 3.11Å; I1118-N1146 WeakPolarHBondContact O-CA 3.4Å; I1118-T1147 PolarHBondContact O-N 3.42Å; I1118-I1167 HydrophobicContact CG2-CD1 4.23Å; I1118-I1167 HydrophobicContact CG2-CG1 3.74Å
1119	K	95	Very high	93	Very high	62 Å²	62	53.4 Å²	53.4	27%	0.27	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-77.2	131.4	176.1	-167.6	65.5	171.5	-166.2	0	110.8	S1083 N1084 L1085 D1089 T1147	S1083-K1119 PolarHBondContact O-N 3.37Å; N1084-K1119 WeakPolarHBondContact O-CB 3.47Å; L1085-K1119 HydrophobicContact CD2-CB 4.42Å; D1089-K1119 VanDerWaalsContact CG-NZ 3.3Å; D1089-K1119 IonicContact OD1-NZ 2.78Å; D1089-K1119 PolarHBondContact OD1-NZ 2.82Å; D1089-K1119 WeakPolarHBondContact OD2-CD 3.45Å; D1089-K1119 WeakPolarHBondContact OD2-CE 2.95Å; D1089-K1119 IonicContact OD2-NZ 2.91Å; D1089-K1119 PolarHBondContact OD2-NZ 3.39Å; K1119-T1147 HydrophobicContact CD-CG2 3.92Å
1120	E	93.4	Very high	93.1	Very high	40 Å²	40	50.6 Å²	50.6	19%	0.187	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	154.1	172.9	-52	-170	149.8	0	0	111.5	P1125 R1126 V1127 N1146 I1167	E1120-P1125 WeakPolarHBondContact OE2-CA 3.14Å; E1120-R1126 VanDerWaalsContact OE1-CA 3.26Å; E1120-R1126 WeakPolarHBondContact OE1-CA 3.47Å; E1120-R1126 PolarHBondContact OE1-N 3.39Å; E1120-R1126 PolarHBondContact OE2-N 3.25Å; E1120-V1127 CarbonylContact C-O 3.59Å; E1120-V1127 VanDerWaalsContact CA-O 3.27Å; E1120-V1127 WeakPolarHBondContact CA-O 3.47Å; E1120-N1146 HydrophobicContact CG-CB 3.65Å; E1120-N1146 WeakPolarHBondContact OE1-CB 3.47Å; E1120-N1146 PolarHBondContact OE1-ND2 3.01Å; E1120-I1167 HydrophobicContact CG-CD1 4.49Å
1121	E	92.3	Very high	93.4	Very high	46 Å²	46	48.9 Å²	48.9	22%	0.215	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	142.2	176.2	-177	69.5	142.6	0	0	111.4	G1123 R1124 V1127 K1129 T1171	E1121-G1123 PolarHBondContact O-N 3.03Å; E1121-R1124 HydrophobicContact CB-CB 4.46Å; E1121-R1124 PolarHBondContact O-N 2.78Å; E1121-V1127 PolarHBondContact N-O 2.75Å; E1121-K1129 VanDerWaalsContact OE1-CE 3.31Å; E1121-K1129 WeakPolarHBondContact OE1-CE 3.13Å; E1121-K1129 IonicContact OE1-NZ 3.62Å; E1121-K1129 PolarHBondContact OE1-NZ 2.9Å; E1121-K1129 WeakPolarHBondContact OE2-CE 3.17Å; E1121-K1129 IonicContact OE2-NZ 3.93Å; E1121-T1171 HydrophobicContact CB-CG2 4.41Å; E1121-T1171 HydrophobicContact CG-CG2 4.19Å
1122	A	88.9	Confident	93.9	Very high	96 Å²	96	39.8 Å²	39.8	79%	0.793	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	115.6	-175.8	0	0	0	0	0	111.8
1123	G	88.6	Confident	94.1	Very high	82 Å²	82	36.1 Å²	36.1	85%	0.845	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.4	1.5	-179.3	0	0	0	0	0	115.9	E1121	E1121-G1123 PolarHBondContact O-N 3.03Å
1124	R	90.5	Very high	94.2	Very high	113 Å²	113	35.9 Å²	35.9	43%	0.426	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	94.3	176.9	-59.9	-162	-164.4	-170.7	10.7	112.1	E1121 V1127 D1175	E1121-R1124 HydrophobicContact CB-CB 4.46Å; E1121-R1124 PolarHBondContact O-N 2.78Å; R1124-V1127 HydrophobicContact CB-CB 3.8Å; R1124-V1127 HydrophobicContact CB-CG2 3.84Å; R1124-V1127 PolarHBondContact O-N 3.45Å; R1124-D1175 IonicContact CZ-OD1 3.62Å; R1124-D1175 IonicContact NH1-OD1 3.48Å; R1124-D1175 PolarHBondContact NH1-OD1 3.3Å; R1124-D1175 IonicContact NH1-OD2 3.31Å
1125	P	90.1	Very high	94.3	Very high	99 Å²	99	33.6 Å²	33.6	64%	0.643	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	140.4	-178.1	28	-34.7	0	0	0	111.5	E1120 V1127	E1120-P1125 WeakPolarHBondContact OE2-CA 3.14Å; P1125-V1127 PolarHBondContact O-N 2.93Å
1126	R	92.2	Very high	94.3	Very high	58 Å²	58	33.4 Å²	33.4	22%	0.219	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.5	17.9	-178	-49.5	178.6	76.5	-176.5	0	115.3	E1120 S1163 P1164 E1166 I1167 E1168 G1169	E1120-R1126 VanDerWaalsContact OE1-CA 3.26Å; E1120-R1126 WeakPolarHBondContact OE1-CA 3.47Å; E1120-R1126 PolarHBondContact OE1-N 3.39Å; E1120-R1126 PolarHBondContact OE2-N 3.25Å; R1126-S1163 PolarHBondContact NH2-O 2.91Å; R1126-S1163 VanDerWaalsContact NH2-O 3.07Å; R1126-P1164 PolarHBondContact NE-O 3.26Å; R1126-E1166 PolarHBondContact NE-O 2.97Å; R1126-E1166 PolarHBondContact NH2-O 2.88Å; R1126-I1167 WeakPolarHBondContact O-CG2 3.48Å; R1126-E1168 HydrophobicContact CB-CB 4.27Å; R1126-E1168 HydrophobicContact CB-CG 4.01Å; R1126-E1168 IonicContact CZ-OE1 3.75Å; R1126-E1168 IonicContact NE-OE1 3.94Å; R1126-E1168 IonicContact NH1-OE1 2.96Å; R1126-E1168 PolarHBondContact NH1-OE1 2.76Å; R1126-E1168 IonicContact NH2-OE1 2.76Å; R1126-E1168 PolarHBondContact O-N 3.08Å; R1126-G1169 PolarHBondContact O-N 3.45Å
1127	V	94.7	Very high	94.2	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.8	171.9	-169	0	0	0	0	109.3	E1120 E1121 R1124 P1125 D1175	E1120-V1127 CarbonylContact C-O 3.59Å; E1120-V1127 VanDerWaalsContact CA-O 3.27Å; E1120-V1127 WeakPolarHBondContact CA-O 3.47Å; E1121-V1127 PolarHBondContact N-O 2.75Å; R1124-V1127 HydrophobicContact CB-CB 3.8Å; R1124-V1127 HydrophobicContact CB-CG2 3.84Å; R1124-V1127 PolarHBondContact O-N 3.45Å; P1125-V1127 PolarHBondContact O-N 2.93Å; V1127-D1175 HydrophobicContact CG2-CB 3.53Å
1128	V	95.4	Very high	94.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.9	-176.5	-58.8	0	0	0	0	113.4	I1118 Y1134 I1167 G1169 D1170 T1171	I1118-V1128 HydrophobicContact CB-CG1 4.48Å; I1118-V1128 HydrophobicContact CD1-CB 3.88Å; I1118-V1128 HydrophobicContact CD1-CG1 4.17Å; I1118-V1128 HydrophobicContact CD1-CG2 3.98Å; I1118-V1128 HydrophobicContact CG1-CB 4.13Å; I1118-V1128 HydrophobicContact CG1-CG1 3.97Å; I1118-V1128 HydrophobicContact CG2-CG1 3.79Å; V1128-Y1134 HydrophobicContact CG2-CD2 3.64Å; V1128-Y1134 HydrophobicContact CG2-CE2 3.48Å; V1128-Y1134 VanDerWaalsContact CG2-CE2 3.48Å; V1128-Y1134 HydrophobicContact CG2-CG 4.48Å; V1128-I1167 HydrophobicContact CB-CG2 4.44Å; V1128-I1167 HydrophobicContact CG1-CB 4.5Å; V1128-I1167 HydrophobicContact CG1-CD1 3.64Å; V1128-I1167 HydrophobicContact CG1-CG1 3.85Å; V1128-I1167 HydrophobicContact CG1-CG2 3.8Å; V1128-I1167 HydrophobicContact CG2-CG2 3.84Å; V1128-G1169 PolarHBondContact N-O 3.34Å; V1128-D1170 HydrophobicContact CG2-CB 4.46Å; V1128-D1170 WeakPolarHBondContact O-CA 3.13Å; V1128-D1170 WeakPolarHBondContact O-CB 3.34Å; V1128-T1171 PolarHBondContact O-N 3.13Å; V1128-T1171 VanDerWaalsContact O-N 3.16Å
1129	K	94.6	Very high	94.2	Very high	53 Å²	53	33.3 Å²	33.3	23%	0.23	19%	0.194	C	C	.	.			trans	-67	142.9	161.7	-64.5	-167.4	171	-58.6	0	110.7	D965 E1121 T1171	D965-K1129 HydrophobicContact CB-CB 4.29Å; D965-K1129 WeakPolarHBondContact OD1-CD 3.43Å; D965-K1129 WeakPolarHBondContact OD1-CE 3.24Å; D965-K1129 WeakPolarHBondContact OD1-CG 3.38Å; D965-K1129 IonicContact OD1-NZ 2.73Å; D965-K1129 PolarHBondContact OD1-NZ 2.92Å; D965-K1129 VanDerWaalsContact OD2-CA 3.29Å; D965-K1129 WeakPolarHBondContact OD2-CA 3.16Å; D965-K1129 WeakPolarHBondContact OD2-CB 3.1Å; D965-K1129 WeakPolarHBondContact OD2-CG 3.47Å; E1121-K1129 VanDerWaalsContact OE1-CE 3.31Å; E1121-K1129 WeakPolarHBondContact OE1-CE 3.13Å; E1121-K1129 IonicContact OE1-NZ 3.62Å; E1121-K1129 PolarHBondContact OE1-NZ 2.9Å; E1121-K1129 WeakPolarHBondContact OE2-CE 3.17Å; E1121-K1129 IonicContact OE2-NZ 3.93Å; K1129-T1171 HydrophobicContact CG-CG2 4.36Å
1130	R	94.7	Very high	94.2	Very high	8 Å²	8	31.9 Å²	31.9	3%	0.03	19%	0.189	C	C	.	.			trans	-69.8	135.6	-180	-73.6	174.2	165.6	-165.1	0.9	111.7	F1135 D1170 C1173 E1309 N1313 S1316	R1130-F1135 HydrophobicContact CB-CE2 4.24Å; R1130-F1135 HydrophobicContact CB-CZ 4.03Å; R1130-F1135 HydrophobicContact CG-CZ 4.06Å; R1130-D1170 HydrophobicContact CG-CB 4.19Å; R1130-D1170 IonicContact CZ-OD1 3.88Å; R1130-D1170 IonicContact CZ-OD2 2.7Å; R1130-D1170 IonicContact NE-OD1 3.48Å; R1130-D1170 PolarHBondContact NE-OD1 3.45Å; R1130-D1170 IonicContact NE-OD2 3.08Å; R1130-D1170 PolarHBondContact NE-OD2 2.89Å; R1130-D1170 IonicContact NH2-OD1 2.68Å; R1130-D1170 PolarHBondContact NH2-OD1 3.33Å; R1130-D1170 VanDerWaalsContact NH2-OD1 3.1Å; R1130-D1170 IonicContact NH2-OD2 3.15Å; R1130-D1170 PolarHBondContact NH2-OD2 3.26Å; R1130-D1170 VanDerWaalsContact NH2-OD2 3.07Å; R1130-C1173 PolarHBondContact NH2-SG 2.73Å; R1130-E1309 IonicContact NH1-OE2 3.53Å; R1130-N1313 VanDerWaalsContact CZ-OD1 3.25Å; R1130-N1313 PolarHBondContact NH1-OD1 2.96Å; R1130-N1313 PolarHBondContact NH2-OD1 3.11Å; R1130-S1316 PolarHBondContact NH2-OG 3.38Å
1131	T	95.7	Very high	94.3	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.043	20%	0.198	C	C	.	.			trans	-143.7	158.8	176.5	61.1	0	0	0	0	110.9	S1083 N1084 K1133 Y1134 F1135	S1083-T1131 WeakPolarHBondContact OG-CB 3.41Å; S1083-T1131 PolarHBondContact OG-OG1 2.94Å; N1084-T1131 HydrophobicContact CB-CG2 4.25Å; T1131-K1133 VanDerWaalsContact C-N 3.29Å; T1131-K1133 PolarHBondContact O-N 3.27Å; T1131-Y1134 WeakPolarHBondContact O-CB 3.49Å; T1131-Y1134 PolarHBondContact O-N 3.15Å; T1131-Y1134 VanDerWaalsContact O-N 3.12Å; T1131-Y1134 WeakPolarHBondContact OG1-CB 3.31Å; T1131-Y1134 PolarHBondContact OG1-N 3.4Å; T1131-F1135 WeakPolarHBondContact O-CD2 3.4Å; T1131-F1135 PolarHBondContact O-N 3.44Å; T1131-F1135 VanDerWaalsContact O-N 3.16Å
1132	L	94.8	Very high	94.4	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-55.4	-44.5	175.5	177	60	0	0	0	111.9	I967 Q971 Y1134 F1135 M1136 L1231 D1235 L1239	I967-L1132 HydrophobicContact CG2-CB 4.16Å; Q971-L1132 HydrophobicContact CG-CD2 4.17Å; L1132-Y1134 VanDerWaalsContact C-N 3.3Å; L1132-Y1134 PolarHBondContact O-N 2.92Å; L1132-F1135 PolarHBondContact O-N 2.99Å; L1132-M1136 HydrophobicContact CD1-CG 4.06Å; L1132-M1136 HydrophobicContact CD1-SD 4.11Å; L1132-M1136 HydrophobicContact CD2-SD 4.47Å; L1132-M1136 HydrophobicContact CG-CG 4.33Å; L1132-M1136 HydrophobicContact CG-SD 3.92Å; L1132-M1136 VanDerWaalsContact O-CG 3.32Å; L1132-M1136 WeakPolarHBondContact O-CG 3.36Å; L1132-M1136 PolarHBondContact O-N 3.3Å; L1132-L1231 HydrophobicContact CD1-CD1 3.94Å; L1132-D1235 HydrophobicContact CD1-CB 4.04Å; L1132-D1235 HydrophobicContact CD2-CB 4.09Å; L1132-D1235 VanDerWaalsContact CD2-CG 3.43Å; L1132-D1235 WeakPolarHBondContact CD2-OD1 3.29Å; L1132-L1239 HydrophobicContact CD1-CD1 3.91Å; L1132-L1239 HydrophobicContact CD1-CD2 4.29Å; L1132-L1239 HydrophobicContact CD1-CG 4.15Å
1133	K	96.2	Very high	94.8	Very high	25 Å²	25	30.4 Å²	30.4	11%	0.109	16%	0.16	C	C	.	.	H	α-helix	trans	-65.9	-30.7	179.4	-51	-173.5	-163.6	179.7	0	112.8	T1081 G1082 S1106 F1108 V1116 T1131 G1137	T1081-K1133 HydrophobicContact CG2-CB 4.49Å; T1081-K1133 HydrophobicContact CG2-CD 3.99Å; G1082-K1133 WeakPolarHBondContact O-CD 3.42Å; G1082-K1133 PolarHBondContact O-NZ 3.48Å; S1106-K1133 PolarHBondContact O-NZ 3.48Å; F1108-K1133 HydrophobicContact CB-CG 4.36Å; V1116-K1133 HydrophobicContact CG1-CB 4.33Å; T1131-K1133 VanDerWaalsContact C-N 3.29Å; T1131-K1133 PolarHBondContact O-N 3.27Å; K1133-G1137 PolarHBondContact O-N 3.11Å
1134	Y	97.4	Very high	95.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.6	-54.7	170.8	171.1	-94	0	0	0	110.3	I1118 V1128 T1131 L1132 M1136 G1137 I1138 I1144 I1167 D1170 P1180	I1118-Y1134 HydrophobicContact CD1-CD2 4.39Å; V1128-Y1134 HydrophobicContact CG2-CD2 3.64Å; V1128-Y1134 HydrophobicContact CG2-CE2 3.48Å; V1128-Y1134 VanDerWaalsContact CG2-CE2 3.48Å; V1128-Y1134 HydrophobicContact CG2-CG 4.48Å; T1131-Y1134 WeakPolarHBondContact O-CB 3.49Å; T1131-Y1134 PolarHBondContact O-N 3.15Å; T1131-Y1134 VanDerWaalsContact O-N 3.12Å; T1131-Y1134 WeakPolarHBondContact OG1-CB 3.31Å; T1131-Y1134 PolarHBondContact OG1-N 3.4Å; L1132-Y1134 VanDerWaalsContact C-N 3.3Å; L1132-Y1134 PolarHBondContact O-N 2.92Å; Y1134-M1136 PolarHBondContact O-N 2.86Å; Y1134-G1137 PolarHBondContact O-N 3.28Å; Y1134-G1137 VanDerWaalsContact O-N 3.13Å; Y1134-I1138 HydrophobicContact CD1-CD1 4.21Å; Y1134-I1138 HydrophobicContact CE1-CD1 3.64Å; Y1134-I1138 HydrophobicContact CE2-CD1 4.35Å; Y1134-I1138 WeakPolarHBondContact O-CG1 3.35Å; Y1134-I1138 PolarHBondContact O-N 3.26Å; Y1134-I1138 VanDerWaalsContact O-N 3.11Å; Y1134-I1144 HydrophobicContact CD2-CD1 3.94Å; Y1134-I1144 HydrophobicContact CD2-CG2 4.1Å; Y1134-I1144 HydrophobicContact CE2-CD1 4.34Å; Y1134-I1144 HydrophobicContact CG-CD1 4.48Å; Y1134-I1144 WeakPolarHBondContact O-CD1 3.11Å; Y1134-I1167 HydrophobicContact CE2-CG2 4.15Å; Y1134-D1170 HydrophobicContact CE1-CB 4.4Å; Y1134-P1180 HydrophobicContact CE2-CG 3.93Å
1135	F	97.4	Very high	95.6	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-58.5	-46.5	178.5	-64.3	-60.3	0	0	0	112.8	I967 R1130 T1131 L1132 G1137 I1138 L1139 L1239 L1312 I1315 S1316	I967-F1135 HydrophobicContact CD1-CE2 3.95Å; R1130-F1135 HydrophobicContact CB-CE2 4.24Å; R1130-F1135 HydrophobicContact CB-CZ 4.03Å; R1130-F1135 HydrophobicContact CG-CZ 4.06Å; T1131-F1135 WeakPolarHBondContact O-CD2 3.4Å; T1131-F1135 PolarHBondContact O-N 3.44Å; T1131-F1135 VanDerWaalsContact O-N 3.16Å; L1132-F1135 PolarHBondContact O-N 2.99Å; F1135-G1137 VanDerWaalsContact C-N 3.3Å; F1135-G1137 PolarHBondContact O-N 2.99Å; F1135-I1138 PolarHBondContact O-N 3.17Å; F1135-L1139 WeakPolarHBondContact O-CG 3.14Å; F1135-L1139 PolarHBondContact O-N 3.5Å; F1135-L1239 HydrophobicContact CB-CD1 4.34Å; F1135-L1239 HydrophobicContact CB-CD2 3.78Å; F1135-L1312 HydrophobicContact CD2-CD2 4.3Å; F1135-L1312 HydrophobicContact CE1-CB 4.06Å; F1135-L1312 HydrophobicContact CE1-CD2 4.37Å; F1135-L1312 HydrophobicContact CE2-CD1 4.45Å; F1135-L1312 HydrophobicContact CE2-CD2 3.96Å; F1135-L1312 HydrophobicContact CZ-CB 3.87Å; F1135-L1312 HydrophobicContact CZ-CD1 4.3Å; F1135-L1312 HydrophobicContact CZ-CD2 3.99Å; F1135-L1312 HydrophobicContact CZ-CG 4.26Å; F1135-I1315 HydrophobicContact CB-CG2 3.97Å; F1135-I1315 HydrophobicContact CD1-CB 3.9Å; F1135-I1315 HydrophobicContact CD1-CG2 3.74Å; F1135-I1315 HydrophobicContact CG-CG2 4.33Å; F1135-S1316 WeakPolarHBondContact CE1-OG 3.44Å
1136	M	96.5	Very high	95.9	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.025	7%	0.071	C	C	.	.	H	α-helix	trans	-60.9	-39.2	176.4	-66.4	-179.9	88.9	0	0	111.9	F1108 P1110 L1132 Y1134 L1139 N1140 Q1238 L1239	F1108-M1136 HydrophobicContact CB-CE 4.44Å; F1108-M1136 HydrophobicContact CB-SD 3.93Å; F1108-M1136 HydrophobicContact CD1-CB 3.68Å; F1108-M1136 HydrophobicContact CD1-CE 3.78Å; F1108-M1136 HydrophobicContact CD1-CG 4.44Å; F1108-M1136 HydrophobicContact CD1-SD 4.06Å; F1108-M1136 HydrophobicContact CD2-CB 4.25Å; F1108-M1136 HydrophobicContact CE1-CB 3.93Å; F1108-M1136 HydrophobicContact CE2-CB 4.49Å; F1108-M1136 HydrophobicContact CG-CB 3.87Å; F1108-M1136 HydrophobicContact CG-CE 4.46Å; F1108-M1136 HydrophobicContact CG-SD 4.19Å; F1108-M1136 HydrophobicContact CZ-CB 4.36Å; P1110-M1136 HydrophobicContact CG-CE 4.05Å; L1132-M1136 HydrophobicContact CD1-CG 4.06Å; L1132-M1136 HydrophobicContact CD1-SD 4.11Å; L1132-M1136 HydrophobicContact CD2-SD 4.47Å; L1132-M1136 HydrophobicContact CG-CG 4.33Å; L1132-M1136 HydrophobicContact CG-SD 3.92Å; L1132-M1136 VanDerWaalsContact O-CG 3.32Å; L1132-M1136 WeakPolarHBondContact O-CG 3.36Å; L1132-M1136 PolarHBondContact O-N 3.3Å; Y1134-M1136 PolarHBondContact O-N 2.86Å; M1136-L1139 PolarHBondContact O-N 2.87Å; M1136-N1140 VanDerWaalsContact O-CB 3.29Å; M1136-N1140 WeakPolarHBondContact O-CB 3.33Å; M1136-N1140 PolarHBondContact O-N 2.83Å; M1136-N1140 PolarHBondContact O-ND2 3.37Å; M1136-Q1238 HydrophobicContact CE-CG 3.91Å; M1136-L1239 HydrophobicContact CG-CD2 3.78Å
1137	G	96.8	Very high	96.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.1	-46.6	176.7	0	0	0	0	0	113.2	K1133 Y1134 F1135 L1139 N1140 R1141 A1142	K1133-G1137 PolarHBondContact O-N 3.11Å; Y1134-G1137 PolarHBondContact O-N 3.28Å; Y1134-G1137 VanDerWaalsContact O-N 3.13Å; F1135-G1137 VanDerWaalsContact C-N 3.3Å; F1135-G1137 PolarHBondContact O-N 2.99Å; G1137-L1139 PolarHBondContact O-N 3.16Å; G1137-N1140 PolarHBondContact O-N 3.46Å; G1137-R1141 PolarHBondContact O-N 3.26Å; G1137-A1142 PolarHBondContact O-N 3.35Å
1138	I	97.1	Very high	96.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61	-47.4	178.4	-55.1	-177.2	0	0	0	109.9	Y1134 F1135 R1141 I1144 P1180 G1183 I1315 Y1318	Y1134-I1138 HydrophobicContact CD1-CD1 4.21Å; Y1134-I1138 HydrophobicContact CE1-CD1 3.64Å; Y1134-I1138 HydrophobicContact CE2-CD1 4.35Å; Y1134-I1138 WeakPolarHBondContact O-CG1 3.35Å; Y1134-I1138 PolarHBondContact O-N 3.26Å; Y1134-I1138 VanDerWaalsContact O-N 3.11Å; F1135-I1138 PolarHBondContact O-N 3.17Å; I1138-R1141 PolarHBondContact O-N 3.25Å; I1138-I1144 HydrophobicContact CG1-CD1 3.54Å; I1138-P1180 HydrophobicContact CD1-CG 4.21Å; I1138-P1180 HydrophobicContact CG1-CB 4.45Å; I1138-P1180 HydrophobicContact CG1-CG 4.28Å; I1138-G1183 WeakPolarHBondContact O-CA 3.32Å; I1138-I1315 HydrophobicContact CB-CG2 4.37Å; I1138-Y1318 HydrophobicContact CG2-CD2 3.66Å; I1138-Y1318 HydrophobicContact CG2-CG 4.15Å
1139	L	96.6	Very high	96.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.8	-38.4	-177.5	-63.3	178.1	0	0	0	112.9	F1135 M1136 G1137 R1141 R1215 L1239 D1242 I1315 Y1318	F1135-L1139 WeakPolarHBondContact O-CG 3.14Å; F1135-L1139 PolarHBondContact O-N 3.5Å; M1136-L1139 PolarHBondContact O-N 2.87Å; G1137-L1139 PolarHBondContact O-N 3.16Å; L1139-R1141 PolarHBondContact O-N 3.47Å; L1139-R1215 PolarHBondContact O-NH1 2.8Å; L1139-L1239 HydrophobicContact CD1-CD2 3.92Å; L1139-L1239 WeakPolarHBondContact CD1-O 3.5Å; L1139-D1242 HydrophobicContact CB-CB 3.9Å; L1139-D1242 HydrophobicContact CD1-CB 3.89Å; L1139-I1315 HydrophobicContact CD1-CD1 4.11Å; L1139-I1315 HydrophobicContact CD1-CG1 4.15Å; L1139-I1315 HydrophobicContact CD1-CG2 4.09Å; L1139-I1315 HydrophobicContact CD2-CG1 4.26Å; L1139-I1315 HydrophobicContact CD2-CG2 3.92Å; L1139-I1315 HydrophobicContact CG-CG1 4.46Å; L1139-I1315 HydrophobicContact CG-CG2 3.73Å; L1139-Y1318 HydrophobicContact CD2-CD2 4.27Å; L1139-Y1318 HydrophobicContact CD2-CE2 4.05Å
1140	N	95.2	Very high	96.2	Very high	31 Å²	31	14 Å²	14	17%	0.166	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	7.1	178.1	-77.8	-95	0	0	0	113.3	F1108 P1110 Q1111 M1136 G1137 A1142 D1242	F1108-N1140 HydrophobicContact CE1-CB 3.86Å; F1108-N1140 HydrophobicContact CZ-CB 3.66Å; P1110-N1140 WeakPolarHBondContact CA-OD1 3.26Å; P1110-N1140 WeakPolarHBondContact CB-OD1 3.14Å; Q1111-N1140 PolarHBondContact N-OD1 3.46Å; M1136-N1140 VanDerWaalsContact O-CB 3.29Å; M1136-N1140 WeakPolarHBondContact O-CB 3.33Å; M1136-N1140 PolarHBondContact O-N 2.83Å; M1136-N1140 PolarHBondContact O-ND2 3.37Å; G1137-N1140 PolarHBondContact O-N 3.46Å; N1140-A1142 PolarHBondContact O-N 3.11Å; N1140-D1242 PolarHBondContact ND2-OD2 2.9Å
1141	R	94.5	Very high	96.3	Very high	101 Å²	101	17.3 Å²	17.3	38%	0.381	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	26.6	179.6	-46.4	-166.4	-180	178.7	-3.9	114.2	G1137 I1138 L1139 G1183 D1213	G1137-R1141 PolarHBondContact O-N 3.26Å; I1138-R1141 PolarHBondContact O-N 3.25Å; L1139-R1141 PolarHBondContact O-N 3.47Å; R1141-G1183 WeakPolarHBondContact CG-O 3.46Å; R1141-D1213 IonicContact CZ-OD1 3.73Å; R1141-D1213 IonicContact CZ-OD2 3.04Å; R1141-D1213 IonicContact NE-OD2 2.75Å; R1141-D1213 IonicContact NH2-OD1 2.92Å; R1141-D1213 PolarHBondContact NH2-OD1 3.3Å; R1141-D1213 IonicContact NH2-OD2 3.49Å; R1141-D1213 PolarHBondContact NH2-OD2 3.36Å
1142	A	95.5	Very high	96.3	Very high	3 Å²	3	21.4 Å²	21.4	3%	0.025	9%	0.094	C	C	.	.			trans	-70.6	156.3	176.6	0	0	0	0	0	111.2	F1108 T1114 V1116 G1137 N1140 I1144	F1108-A1142 HydrophobicContact CE2-CB 4.38Å; T1114-A1142 WeakPolarHBondContact O-CA 3.31Å; T1114-A1142 WeakPolarHBondContact O-CB 3.08Å; V1116-A1142 HydrophobicContact CG2-CB 4.42Å; G1137-A1142 PolarHBondContact O-N 3.35Å; N1140-A1142 PolarHBondContact O-N 3.11Å; A1142-I1144 PolarHBondContact O-N 2.68Å
1143	W	97.2	Very high	96.4	Very high	47 Å²	47	21.3 Å²	21.3	18%	0.178	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.5	160.5	-75.4	109	0	0	0	109.3	T1114 H1115 V1116 V1145 E1162 E1166 R1184	T1114-W1143 PolarHBondContact O-N 3.18Å; H1115-W1143 CarbonylContact C-O 3.6Å; H1115-W1143 WeakPolarHBondContact CA-O 3.27Å; H1115-W1143 AromaticContact CD2-CD1 3.93Å; H1115-W1143 AromaticContact CE1-CD1 3.83Å; H1115-W1143 AromaticContact NE2-CD1 3.39Å; H1115-W1143 AromaticContact NE2-CG 3.91Å; V1116-W1143 PolarHBondContact N-O 2.91Å; W1143-V1145 HydrophobicContact CB-CG1 4.33Å; W1143-E1162 HydrophobicContact CD2-CB 3.57Å; W1143-E1162 HydrophobicContact CD2-CG 4.06Å; W1143-E1162 HydrophobicContact CE3-CB 3.55Å; W1143-E1162 HydrophobicContact CG-CB 4.17Å; W1143-E1162 HydrophobicContact CG-CG 4.19Å; W1143-E1162 HydrophobicContact CH2-CB 3.84Å; W1143-E1162 HydrophobicContact CZ2-CB 3.89Å; W1143-E1162 HydrophobicContact CZ2-CG 4.49Å; W1143-E1162 HydrophobicContact CZ3-CB 3.68Å; W1143-E1166 HydrophobicContact CE3-CB 4.44Å; W1143-E1166 HydrophobicContact CZ3-CB 4.31Å; W1143-R1184 VanDerWaalsContact CE3-CD 3.47Å; W1143-R1184 VanDerWaalsContact CE3-NE 3.32Å; W1143-R1184 VanDerWaalsContact CZ2-NH1 3.32Å; W1143-R1184 VanDerWaalsContact CZ3-NH2 3.27Å
1144	I	97.5	Very high	96.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	112.4	168.5	-52.2	-170.9	0	0	0	106.5	V1116 I1118 Y1134 I1138 A1142 E1166 I1167 P1180	V1116-I1144 HydrophobicContact CB-CG1 4.36Å; V1116-I1144 HydrophobicContact CB-CG2 4.49Å; V1116-I1144 WeakPolarHBondContact O-CA 3.47Å; I1118-I1144 HydrophobicContact CG2-CG2 3.63Å; Y1134-I1144 HydrophobicContact CD2-CD1 3.94Å; Y1134-I1144 HydrophobicContact CD2-CG2 4.1Å; Y1134-I1144 HydrophobicContact CE2-CD1 4.34Å; Y1134-I1144 HydrophobicContact CG-CD1 4.48Å; Y1134-I1144 WeakPolarHBondContact O-CD1 3.11Å; I1138-I1144 HydrophobicContact CG1-CD1 3.54Å; A1142-I1144 PolarHBondContact O-N 2.68Å; I1144-E1166 CarbonylContact O-C 3.51Å; I1144-E1166 VanDerWaalsContact O-CA 3.28Å; I1144-E1166 WeakPolarHBondContact O-CA 3.49Å; I1144-I1167 HydrophobicContact CG2-CB 4.08Å; I1144-I1167 HydrophobicContact CG2-CG1 3.79Å; I1144-I1167 PolarHBondContact O-N 2.94Å; I1144-P1180 HydrophobicContact CB-CB 4.02Å; I1144-P1180 HydrophobicContact CB-CG 4.39Å; I1144-P1180 HydrophobicContact CD1-CB 4.01Å; I1144-P1180 HydrophobicContact CD1-CG 4.11Å; I1144-P1180 HydrophobicContact CG1-CB 4.13Å
1145	V	97.3	Very high	96.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.8	-170.7	-68	0	0	0	0	111.3	V1116 V1117 I1118 W1143 W1149 E1162 Y1165	V1116-V1145 PolarHBondContact O-N 3.38Å; V1117-V1145 WeakPolarHBondContact CA-O 3.35Å; V1117-V1145 HydrophobicContact CG2-CG2 3.98Å; I1118-V1145 PolarHBondContact N-O 3.11Å; W1143-V1145 HydrophobicContact CB-CG1 4.33Å; V1145-W1149 HydrophobicContact CB-CB 4.43Å; V1145-W1149 HydrophobicContact CG2-CD2 4.13Å; V1145-W1149 HydrophobicContact CG2-CE3 3.66Å; V1145-W1149 HydrophobicContact CG2-CZ3 4.18Å; V1145-E1162 HydrophobicContact CG1-CB 4.05Å; V1145-Y1165 WeakPolarHBondContact CA-O 3.41Å
1146	N	96.3	Very high	96.2	Very high	11 Å²	11	27.4 Å²	27.4	6%	0.059	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	170.8	177.4	76.9	10.8	0	0	0	113.1	I1118 E1120 D1148 W1149 Y1165 I1167	I1118-N1146 WeakPolarHBondContact O-CA 3.4Å; E1120-N1146 HydrophobicContact CG-CB 3.65Å; E1120-N1146 WeakPolarHBondContact OE1-CB 3.47Å; E1120-N1146 PolarHBondContact OE1-ND2 3.01Å; N1146-D1148 PolarHBondContact O-N 2.83Å; N1146-D1148 WeakPolarHBondContact OD1-CA 3.45Å; N1146-D1148 WeakPolarHBondContact OD1-CB 3.31Å; N1146-D1148 PolarHBondContact OD1-N 3.41Å; N1146-W1149 PolarHBondContact OD1-N 2.96Å; N1146-W1149 VanDerWaalsContact OD1-N 3.07Å; N1146-Y1165 PolarHBondContact N-O 3.29Å; N1146-I1167 HydrophobicContact CB-CD1 3.92Å
1147	T	95.9	Very high	96	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-67.8	-14.1	175.8	45.7	0	0	0	0	114.9	L1085 D1089 V1117 I1118 K1119 R1151	L1085-T1147 HydrophobicContact CD2-CG2 3.49Å; L1085-T1147 VanDerWaalsContact CD2-CG2 3.49Å; D1089-T1147 HydrophobicContact CB-CG2 4.14Å; V1117-T1147 HydrophobicContact CG1-CG2 4.14Å; I1118-T1147 PolarHBondContact O-N 3.42Å; K1119-T1147 HydrophobicContact CD-CG2 3.92Å; T1147-R1151 PolarHBondContact O-N 3.49Å; T1147-R1151 PolarHBondContact OG1-NH2 3.42Å
1148	D	95.3	Very high	95.9	Very high	47 Å²	47	43.9 Å²	43.9	25%	0.251	21%	0.21	S	C	.	.	H	α-helix	trans	-82.1	-30.3	-176	-61.6	-73.8	0	0	0	112.3	N1146 V1150 R1151 E1152	N1146-D1148 PolarHBondContact O-N 2.83Å; N1146-D1148 WeakPolarHBondContact OD1-CA 3.45Å; N1146-D1148 WeakPolarHBondContact OD1-CB 3.31Å; N1146-D1148 PolarHBondContact OD1-N 3.41Å; D1148-V1150 PolarHBondContact O-N 2.71Å; D1148-R1151 PolarHBondContact O-N 3.49Å; D1148-R1151 VanDerWaalsContact O-N 3.12Å; D1148-R1151 IonicContact OD1-CZ 2.76Å; D1148-R1151 IonicContact OD1-NE 2.72Å; D1148-R1151 PolarHBondContact OD1-NE 2.98Å; D1148-R1151 IonicContact OD1-NH2 3.05Å; D1148-R1151 PolarHBondContact OD1-NH2 2.87Å; D1148-R1151 IonicContact OD2-NH2 3.8Å; D1148-R1151 PolarHBondContact OD2-NH2 3.1Å; D1148-R1151 VanDerWaalsContact OD2-NH2 3.13Å; D1148-E1152 WeakPolarHBondContact O-CB 3.41Å; D1148-E1152 PolarHBondContact O-N 3.42Å
1149	W	96.6	Very high	95.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-49.2	-47.3	165.8	178.9	65.6	0	0	0	111.6	F1096 H1115 V1117 V1145 N1146 C1153 L1160 E1162 Y1165	F1096-W1149 HydrophobicContact CE1-CH2 4.24Å; F1096-W1149 HydrophobicContact CE1-CZ3 4.17Å; F1096-W1149 HydrophobicContact CE2-CH2 4.45Å; F1096-W1149 HydrophobicContact CE2-CZ3 4.49Å; F1096-W1149 AromaticContact CZ-CH2 3.63Å; F1096-W1149 HydrophobicContact CZ-CH2 3.63Å; F1096-W1149 HydrophobicContact CZ-CZ2 4.2Å; F1096-W1149 AromaticContact CZ-CZ3 3.8Å; F1096-W1149 HydrophobicContact CZ-CZ3 3.8Å; H1115-W1149 AromaticContact CD2-CH2 3.63Å; V1117-W1149 HydrophobicContact CG2-CE3 4.13Å; V1117-W1149 HydrophobicContact CG2-CZ3 4.1Å; V1145-W1149 HydrophobicContact CB-CB 4.43Å; V1145-W1149 HydrophobicContact CG2-CD2 4.13Å; V1145-W1149 HydrophobicContact CG2-CE3 3.66Å; V1145-W1149 HydrophobicContact CG2-CZ3 4.18Å; N1146-W1149 PolarHBondContact OD1-N 2.96Å; N1146-W1149 VanDerWaalsContact OD1-N 3.07Å; W1149-C1153 VanDerWaalsContact O-CB 3.28Å; W1149-C1153 WeakPolarHBondContact O-CB 3.41Å; W1149-C1153 PolarHBondContact O-N 2.88Å; W1149-C1153 PolarHBondContact O-SG 2.97Å; W1149-L1160 PolarHBondContact NE1-O 2.82Å; W1149-E1162 HydrophobicContact CZ2-CG 3.85Å; W1149-Y1165 HydrophobicContact CB-CD1 4.01Å; W1149-Y1165 HydrophobicContact CB-CD2 3.88Å; W1149-Y1165 HydrophobicContact CB-CE2 4.49Å; W1149-Y1165 HydrophobicContact CB-CG 3.61Å; W1149-Y1165 AromaticContact CD1-CD2 3.46Å; W1149-Y1165 VanDerWaalsContact CD1-CD2 3.46Å; W1149-Y1165 AromaticContact CD1-CE2 3.77Å; W1149-Y1165 HydrophobicContact CG-CD2 4.04Å; W1149-Y1165 HydrophobicContact CG-CG 4.26Å
1150	V	96.6	Very high	95.6	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-68.5	-42.1	-179.5	-168.3	0	0	0	0	111.2	L1092 L1093 F1096 V1117 D1148 V1154	L1092-V1150 HydrophobicContact CD2-CB 3.88Å; L1092-V1150 HydrophobicContact CD2-CG1 3.53Å; L1093-V1150 HydrophobicContact CD1-CG1 4.33Å; L1093-V1150 HydrophobicContact CD1-CG2 4.47Å; F1096-V1150 HydrophobicContact CB-CG1 3.42Å; F1096-V1150 VanDerWaalsContact CB-CG1 3.42Å; F1096-V1150 HydrophobicContact CD1-CG1 4.31Å; F1096-V1150 HydrophobicContact CD2-CG1 3.95Å; F1096-V1150 HydrophobicContact CG-CG1 3.67Å; V1117-V1150 HydrophobicContact CB-CG2 4.3Å; V1117-V1150 HydrophobicContact CG1-CG2 3.64Å; V1117-V1150 HydrophobicContact CG2-CG2 3.62Å; D1148-V1150 PolarHBondContact O-N 2.71Å; V1150-V1154 WeakPolarHBondContact O-CB 3.36Å; V1150-V1154 VanDerWaalsContact O-CG2 3.28Å; V1150-V1154 WeakPolarHBondContact O-CG2 3.37Å; V1150-V1154 PolarHBondContact O-N 2.93Å
1151	R	96.2	Very high	95.5	Very high	77 Å²	77	51.5 Å²	51.5	29%	0.291	25%	0.251	S	S	.	.	H	α-helix	trans	-59.7	-49.4	175.3	-79.9	-172	-89.8	-77.8	1.8	111.6	D1089 L1092 T1147 D1148 V1154 A1155	D1089-R1151 IonicContact OD1-CZ 2.84Å; D1089-R1151 IonicContact OD1-NH1 3.27Å; D1089-R1151 PolarHBondContact OD1-NH1 3.1Å; L1092-R1151 HydrophobicContact CD1-CG 3.81Å; L1092-R1151 HydrophobicContact CD2-CG 3.83Å; T1147-R1151 PolarHBondContact O-N 3.49Å; T1147-R1151 PolarHBondContact OG1-NH2 3.42Å; D1148-R1151 PolarHBondContact O-N 3.49Å; D1148-R1151 VanDerWaalsContact O-N 3.12Å; D1148-R1151 IonicContact OD1-CZ 2.76Å; D1148-R1151 IonicContact OD1-NE 2.72Å; D1148-R1151 PolarHBondContact OD1-NE 2.98Å; D1148-R1151 IonicContact OD1-NH2 3.05Å; D1148-R1151 PolarHBondContact OD1-NH2 2.87Å; D1148-R1151 IonicContact OD2-NH2 3.8Å; D1148-R1151 PolarHBondContact OD2-NH2 3.1Å; D1148-R1151 VanDerWaalsContact OD2-NH2 3.13Å; R1151-V1154 PolarHBondContact O-N 2.82Å; R1151-A1155 VanDerWaalsContact O-CB 3.31Å; R1151-A1155 WeakPolarHBondContact O-CB 3.43Å; R1151-A1155 PolarHBondContact O-N 3.13Å
1152	E	96	Very high	95.6	Very high	93 Å²	93	48.5 Å²	48.5	44%	0.435	24%	0.241	S	C	.	.	H	α-helix	trans	-73.5	-33.9	-175.9	-68.7	-175.6	-154.1	0	0	112.3	D1148 A1155 S1156 L1160 Y1165	D1148-E1152 WeakPolarHBondContact O-CB 3.41Å; D1148-E1152 PolarHBondContact O-N 3.42Å; E1152-A1155 PolarHBondContact O-N 2.7Å; E1152-S1156 WeakPolarHBondContact O-CB 3.4Å; E1152-S1156 PolarHBondContact O-N 2.78Å; E1152-S1156 PolarHBondContact O-OG 2.76Å; E1152-L1160 HydrophobicContact CB-CD1 3.57Å; E1152-Y1165 PolarHBondContact OE2-OH 3.42Å
1153	C	96.8	Very high	95.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-47.6	169.1	-71.2	0	0	0	0	111.6	F1096 F1100 W1149 A1155 S1156 K1157 R1158 L1160	F1096-C1153 HydrophobicContact CD2-CB 3.82Å; F1096-C1153 HydrophobicContact CE2-CB 3.57Å; F1100-C1153 HydrophobicContact CE2-CB 4.03Å; F1100-C1153 HydrophobicContact CZ-CB 4.37Å; F1100-C1153 WeakPolarHBondContact CZ-O 3.26Å; W1149-C1153 VanDerWaalsContact O-CB 3.28Å; W1149-C1153 WeakPolarHBondContact O-CB 3.41Å; W1149-C1153 PolarHBondContact O-N 2.88Å; W1149-C1153 PolarHBondContact O-SG 2.97Å; C1153-A1155 PolarHBondContact O-N 2.85Å; C1153-S1156 PolarHBondContact O-OG 2.78Å; C1153-K1157 WeakPolarHBondContact O-CA 3.41Å; C1153-K1157 PolarHBondContact O-N 3.48Å; C1153-R1158 VanDerWaalsContact CA-O 3.26Å; C1153-R1158 WeakPolarHBondContact CA-O 3.5Å; C1153-R1158 WeakPolarHBondContact CB-O 3.45Å; C1153-R1158 PolarHBondContact O-N 2.73Å; C1153-L1160 PolarHBondContact SG-N 3.16Å
1154	V	95.8	Very high	95.4	Very high	14 Å²	14	52 Å²	52	9%	0.085	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-43.7	177.4	168.8	0	0	0	0	111.3	K1095 F1096 Q1099 V1150 R1151	K1095-V1154 HydrophobicContact CD-CG1 4.11Å; F1096-V1154 HydrophobicContact CB-CG2 3.68Å; F1096-V1154 HydrophobicContact CD2-CG2 4.24Å; F1096-V1154 HydrophobicContact CG-CG2 4.48Å; Q1099-V1154 PolarHBondContact NE2-O 3Å; V1150-V1154 WeakPolarHBondContact O-CB 3.36Å; V1150-V1154 VanDerWaalsContact O-CG2 3.28Å; V1150-V1154 WeakPolarHBondContact O-CG2 3.37Å; V1150-V1154 PolarHBondContact O-N 2.93Å; R1151-V1154 PolarHBondContact O-N 2.82Å
1155	A	95.7	Very high	95.4	Very high	81 Å²	81	53.3 Å²	53.3	67%	0.669	28%	0.276	S	S	*	.	H	α-helix	trans	-69.5	-44.8	-178.9	0	0	0	0	0	113.3	R1151 E1152 C1153 K1157	R1151-A1155 VanDerWaalsContact O-CB 3.31Å; R1151-A1155 WeakPolarHBondContact O-CB 3.43Å; R1151-A1155 PolarHBondContact O-N 3.13Å; E1152-A1155 PolarHBondContact O-N 2.7Å; C1153-A1155 PolarHBondContact O-N 2.85Å; A1155-K1157 VanDerWaalsContact C-N 3.25Å; A1155-K1157 PolarHBondContact O-N 3.32Å
1156	S	94.5	Very high	95.3	Very high	60 Å²	60	53.5 Å²	53.5	42%	0.42	28%	0.277	S	S	.	.	H	α-helix	trans	-74.9	-13.8	177.7	65.7	0	0	0	0	113.7	E1152 C1153 R1158	E1152-S1156 WeakPolarHBondContact O-CB 3.4Å; E1152-S1156 PolarHBondContact O-N 2.78Å; E1152-S1156 PolarHBondContact O-OG 2.76Å; C1153-S1156 PolarHBondContact O-OG 2.78Å; S1156-R1158 PolarHBondContact O-N 3.33Å; S1156-R1158 PolarHBondContact OG-N 3.21Å; S1156-R1158 PolarHBondContact OG-O 3.33Å
1157	K	93	Very high	95.4	Very high	169 Å²	169	53 Å²	53	74%	0.735	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	28.3	-173.1	-55.1	-176.1	-178.7	-178.2	0	113.8	C1153 A1155	C1153-K1157 WeakPolarHBondContact O-CA 3.41Å; C1153-K1157 PolarHBondContact O-N 3.48Å; A1155-K1157 VanDerWaalsContact C-N 3.25Å; A1155-K1157 PolarHBondContact O-N 3.32Å
1158	R	94.6	Very high	95.3	Very high	181 Å²	181	55.6 Å²	55.6	68%	0.683	29%	0.286	S	S	*	.	S	Bend	trans	-141.4	148.3	-179.7	164.9	170.7	174.3	155.9	2.2	109.7	C1153 S1156 L1160	C1153-R1158 VanDerWaalsContact CA-O 3.26Å; C1153-R1158 WeakPolarHBondContact CA-O 3.5Å; C1153-R1158 WeakPolarHBondContact CB-O 3.45Å; C1153-R1158 PolarHBondContact O-N 2.73Å; S1156-R1158 PolarHBondContact O-N 3.33Å; S1156-R1158 PolarHBondContact OG-N 3.21Å; S1156-R1158 PolarHBondContact OG-O 3.33Å; R1158-L1160 HydrophobicContact CG-CD2 4.46Å; R1158-L1160 PolarHBondContact O-N 3.4Å
1159	L	93.4	Very high	95.1	Very high	57 Å²	57	53.4 Å²	53.4	30%	0.298	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-69.9	123.5	166.2	-63	176.2	0	0	0	109.9	I1078 F1096 F1100	I1078-L1159 HydrophobicContact CD1-CD1 3.8Å; F1096-L1159 HydrophobicContact CE2-CD2 3.7Å; F1096-L1159 HydrophobicContact CZ-CD2 3.73Å; F1100-L1159 HydrophobicContact CB-CD2 4.07Å; F1100-L1159 HydrophobicContact CD1-CD2 3.89Å; F1100-L1159 HydrophobicContact CD1-CG 3.92Å; F1100-L1159 HydrophobicContact CD2-CD2 3.94Å; F1100-L1159 HydrophobicContact CE1-CD2 4.3Å; F1100-L1159 HydrophobicContact CE1-CG 4.26Å; F1100-L1159 HydrophobicContact CE2-CD2 4.34Å; F1100-L1159 HydrophobicContact CG-CD2 3.69Å; F1100-L1159 HydrophobicContact CG-CG 4.21Å; F1100-L1159 HydrophobicContact CZ-CD2 4.5Å
1160	L	94.2	Very high	95.1	Very high	42 Å²	42	53.4 Å²	53.4	22%	0.22	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-99	152.7	179.3	-56.8	179.8	0	0	0	110.1	W1149 E1152 C1153 R1158 E1162 Y1165	W1149-L1160 PolarHBondContact NE1-O 2.82Å; E1152-L1160 HydrophobicContact CB-CD1 3.57Å; C1153-L1160 PolarHBondContact SG-N 3.16Å; R1158-L1160 HydrophobicContact CG-CD2 4.46Å; R1158-L1160 PolarHBondContact O-N 3.4Å; L1160-E1162 PolarHBondContact O-N 3.02Å; L1160-Y1165 HydrophobicContact CB-CE2 4.27Å; L1160-Y1165 WeakPolarHBondContact CD1-OH 3.34Å
1161	D	93.5	Very high	94.9	Very high	93 Å²	93	54.5 Å²	54.5	50%	0.497	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-53	130	173.2	172.6	17.8	0	0	0	110.3	S1163 P1164 Y1165	D1161-S1163 VanDerWaalsContact C-N 3.29Å; D1161-S1163 WeakPolarHBondContact OD1-CB 3.46Å; D1161-S1163 PolarHBondContact OD1-N 3.27Å; D1161-S1163 PolarHBondContact OD1-OG 3.21Å; D1161-P1164 WeakPolarHBondContact O-CD 3.2Å; D1161-Y1165 WeakPolarHBondContact O-CD2 3.46Å; D1161-Y1165 VanDerWaalsContact O-CE2 3.25Å; D1161-Y1165 WeakPolarHBondContact O-CE2 3.26Å
1162	E	95.9	Very high	94.7	Very high	37 Å²	37	54.2 Å²	54.2	17%	0.173	29%	0.288	C	S	.	.	S	Bend	trans	-71.8	-25.1	-179.2	-59.5	78.9	-171.3	0	0	112.2	H1115 W1143 V1145 W1149 L1160 Y1165 E1166	H1115-E1162 IonicContact NE2-OE1 3.67Å; W1143-E1162 HydrophobicContact CD2-CB 3.57Å; W1143-E1162 HydrophobicContact CD2-CG 4.06Å; W1143-E1162 HydrophobicContact CE3-CB 3.55Å; W1143-E1162 HydrophobicContact CG-CB 4.17Å; W1143-E1162 HydrophobicContact CG-CG 4.19Å; W1143-E1162 HydrophobicContact CH2-CB 3.84Å; W1143-E1162 HydrophobicContact CZ2-CB 3.89Å; W1143-E1162 HydrophobicContact CZ2-CG 4.49Å; W1143-E1162 HydrophobicContact CZ3-CB 3.68Å; V1145-E1162 HydrophobicContact CG1-CB 4.05Å; W1149-E1162 HydrophobicContact CZ2-CG 3.85Å; L1160-E1162 PolarHBondContact O-N 3.02Å; E1162-Y1165 CarbonylContact O-C 3.46Å; E1162-Y1165 PolarHBondContact O-N 3.25Å; E1162-E1166 PolarHBondContact O-N 3.37Å; E1162-E1166 VanDerWaalsContact O-N 3.11Å
1163	S	94.1	Very high	94.4	Very high	52 Å²	52	51.5 Å²	51.5	36%	0.364	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-53.8	-46.5	-171.7	-50.9	0	0	0	0	115.9	R1126 D1161 Y1165	R1126-S1163 PolarHBondContact NH2-O 2.91Å; R1126-S1163 VanDerWaalsContact NH2-O 3.07Å; D1161-S1163 VanDerWaalsContact C-N 3.29Å; D1161-S1163 WeakPolarHBondContact OD1-CB 3.46Å; D1161-S1163 PolarHBondContact OD1-N 3.27Å; D1161-S1163 PolarHBondContact OD1-OG 3.21Å; S1163-Y1165 PolarHBondContact O-N 3.06Å
1164	P	94.9	Very high	94	Very high	72 Å²	72	52.9 Å²	52.9	47%	0.468	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-72	-13.1	177.3	27.1	-34.5	0	0	0	114.6	R1126 D1161	R1126-P1164 PolarHBondContact NE-O 3.26Å; D1161-P1164 WeakPolarHBondContact O-CD 3.2Å
1165	Y	96.5	Very high	93.6	Very high	27 Å²	27	55.7 Å²	55.7	11%	0.106	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-107.4	-2.7	-178.9	-48.3	-86.7	0	0	0	113.4	V1145 N1146 W1149 E1152 L1160 D1161 E1162 S1163	V1145-Y1165 WeakPolarHBondContact CA-O 3.41Å; N1146-Y1165 PolarHBondContact N-O 3.29Å; W1149-Y1165 HydrophobicContact CB-CD1 4.01Å; W1149-Y1165 HydrophobicContact CB-CD2 3.88Å; W1149-Y1165 HydrophobicContact CB-CE2 4.49Å; W1149-Y1165 HydrophobicContact CB-CG 3.61Å; W1149-Y1165 AromaticContact CD1-CD2 3.46Å; W1149-Y1165 VanDerWaalsContact CD1-CD2 3.46Å; W1149-Y1165 AromaticContact CD1-CE2 3.77Å; W1149-Y1165 HydrophobicContact CG-CD2 4.04Å; W1149-Y1165 HydrophobicContact CG-CG 4.26Å; E1152-Y1165 PolarHBondContact OE2-OH 3.42Å; L1160-Y1165 HydrophobicContact CB-CE2 4.27Å; L1160-Y1165 WeakPolarHBondContact CD1-OH 3.34Å; D1161-Y1165 WeakPolarHBondContact O-CD2 3.46Å; D1161-Y1165 VanDerWaalsContact O-CE2 3.25Å; D1161-Y1165 WeakPolarHBondContact O-CE2 3.26Å; E1162-Y1165 CarbonylContact O-C 3.46Å; E1162-Y1165 PolarHBondContact O-N 3.25Å; S1163-Y1165 PolarHBondContact O-N 3.06Å
1166	E	96.4	Very high	93.2	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.019	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-59.1	142.2	177.8	-179.7	169.9	-142.4	0	0	111.4	R1126 W1143 I1144 E1162 R1181 R1184	R1126-E1166 PolarHBondContact NE-O 2.97Å; R1126-E1166 PolarHBondContact NH2-O 2.88Å; W1143-E1166 HydrophobicContact CE3-CB 4.44Å; W1143-E1166 HydrophobicContact CZ3-CB 4.31Å; I1144-E1166 CarbonylContact O-C 3.51Å; I1144-E1166 VanDerWaalsContact O-CA 3.28Å; I1144-E1166 WeakPolarHBondContact O-CA 3.49Å; E1162-E1166 PolarHBondContact O-N 3.37Å; E1162-E1166 VanDerWaalsContact O-N 3.11Å; E1166-R1181 VanDerWaalsContact OE1-CA 3.28Å; E1166-R1181 WeakPolarHBondContact OE1-CA 3.42Å; E1166-R1181 PolarHBondContact OE1-N 3.2Å; E1166-R1184 VanDerWaalsContact CD-NH2 3.31Å; E1166-R1184 IonicContact OE1-CZ 2.73Å; E1166-R1184 IonicContact OE1-NE 2.71Å; E1166-R1184 PolarHBondContact OE1-NE 3.12Å; E1166-R1184 IonicContact OE1-NH2 3.86Å; E1166-R1184 PolarHBondContact OE1-NH2 3.3Å; E1166-R1184 IonicContact OE2-CZ 2.81Å; E1166-R1184 IonicContact OE2-NE 3.2Å; E1166-R1184 IonicContact OE2-NH2 3.76Å; E1166-R1184 PolarHBondContact OE2-NH2 3.46Å
1167	I	97.1	Very high	92.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.			trans	-75.7	126.7	-179.6	-63.4	-53	0	0	0	111.1	I1118 E1120 R1126 V1128 Y1134 I1144 N1146 G1169 P1180	I1118-I1167 HydrophobicContact CG2-CD1 4.23Å; I1118-I1167 HydrophobicContact CG2-CG1 3.74Å; E1120-I1167 HydrophobicContact CG-CD1 4.49Å; R1126-I1167 WeakPolarHBondContact O-CG2 3.48Å; V1128-I1167 HydrophobicContact CB-CG2 4.44Å; V1128-I1167 HydrophobicContact CG1-CB 4.5Å; V1128-I1167 HydrophobicContact CG1-CD1 3.64Å; V1128-I1167 HydrophobicContact CG1-CG1 3.85Å; V1128-I1167 HydrophobicContact CG1-CG2 3.8Å; V1128-I1167 HydrophobicContact CG2-CG2 3.84Å; Y1134-I1167 HydrophobicContact CE2-CG2 4.15Å; I1144-I1167 HydrophobicContact CG2-CB 4.08Å; I1144-I1167 HydrophobicContact CG2-CG1 3.79Å; I1144-I1167 PolarHBondContact O-N 2.94Å; N1146-I1167 HydrophobicContact CB-CD1 3.92Å; I1167-G1169 VanDerWaalsContact CG2-O 3.29Å; I1167-G1169 WeakPolarHBondContact CG2-O 3.46Å; I1167-P1180 HydrophobicContact CB-CG 4.28Å; I1167-P1180 HydrophobicContact CG2-CG 4.33Å; I1167-P1180 WeakPolarHBondContact O-CG 3.31Å
1168	E	94	Very high	92.9	Very high	60 Å²	60	47.2 Å²	47.2	28%	0.28	26%	0.258	S	S	.	.			trans	-88.6	-28.8	-176	-63	-169.6	-174.5	0	0	112.6	R1126 C1176 H1177 E1178	R1126-E1168 HydrophobicContact CB-CB 4.27Å; R1126-E1168 HydrophobicContact CB-CG 4.01Å; R1126-E1168 IonicContact CZ-OE1 3.75Å; R1126-E1168 IonicContact NE-OE1 3.94Å; R1126-E1168 IonicContact NH1-OE1 2.96Å; R1126-E1168 PolarHBondContact NH1-OE1 2.76Å; R1126-E1168 IonicContact NH2-OE1 2.76Å; R1126-E1168 PolarHBondContact O-N 3.08Å; E1168-C1176 CarbonylContact O-C 3.43Å; E1168-H1177 PolarHBondContact O-N 2.89Å; E1168-E1178 PolarHBondContact O-N 3.39Å
1169	G	92.3	Very high	92.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	-176.7	-175	0	0	0	0	0	115.7	R1126 V1128 I1167 G1174 D1175	R1126-G1169 PolarHBondContact O-N 3.45Å; V1128-G1169 PolarHBondContact N-O 3.34Å; I1167-G1169 VanDerWaalsContact CG2-O 3.29Å; I1167-G1169 WeakPolarHBondContact CG2-O 3.46Å; G1169-G1174 WeakPolarHBondContact CA-O 3.26Å; G1169-D1175 WeakPolarHBondContact CA-O 3.23Å; G1169-D1175 PolarHBondContact N-O 2.82Å
1170	D	94.7	Very high	93	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	161.8	174.2	79	50.5	0	0	0	112.3	V1128 R1130 Y1134 V1172 C1173 G1174 H1177 S1316	V1128-D1170 HydrophobicContact CG2-CB 4.46Å; V1128-D1170 WeakPolarHBondContact O-CA 3.13Å; V1128-D1170 WeakPolarHBondContact O-CB 3.34Å; R1130-D1170 HydrophobicContact CG-CB 4.19Å; R1130-D1170 IonicContact CZ-OD1 3.88Å; R1130-D1170 IonicContact CZ-OD2 2.7Å; R1130-D1170 IonicContact NE-OD1 3.48Å; R1130-D1170 PolarHBondContact NE-OD1 3.45Å; R1130-D1170 IonicContact NE-OD2 3.08Å; R1130-D1170 PolarHBondContact NE-OD2 2.89Å; R1130-D1170 IonicContact NH2-OD1 2.68Å; R1130-D1170 PolarHBondContact NH2-OD1 3.33Å; R1130-D1170 VanDerWaalsContact NH2-OD1 3.1Å; R1130-D1170 IonicContact NH2-OD2 3.15Å; R1130-D1170 PolarHBondContact NH2-OD2 3.26Å; R1130-D1170 VanDerWaalsContact NH2-OD2 3.07Å; Y1134-D1170 HydrophobicContact CE1-CB 4.4Å; D1170-V1172 PolarHBondContact O-N 2.92Å; D1170-V1172 WeakPolarHBondContact OD1-CA 3.47Å; D1170-V1172 PolarHBondContact OD1-N 3.23Å; D1170-C1173 PolarHBondContact OD1-N 3.44Å; D1170-G1174 PolarHBondContact N-O 3.45Å; D1170-G1174 CarbonylContact O-C 3.57Å; D1170-G1174 WeakPolarHBondContact O-CA 3.06Å; D1170-G1174 PolarHBondContact O-N 3.3Å; D1170-H1177 PolarHBondContact N-NE2 3.39Å; D1170-H1177 IonicContact OD2-NE2 3.52Å; D1170-S1316 WeakPolarHBondContact OD2-CB 3.39Å; D1170-S1316 PolarHBondContact OD2-OG 2.8Å
1171	T	93	Very high	93	Very high	25 Å²	25	37.6 Å²	37.6	15%	0.153	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-20.6	-176.6	44.2	0	0	0	0	115.7	D965 E1121 V1128 K1129	D965-T1171 WeakPolarHBondContact OD2-CB 3.4Å; D965-T1171 PolarHBondContact OD2-OG1 2.9Å; E1121-T1171 HydrophobicContact CB-CG2 4.41Å; E1121-T1171 HydrophobicContact CG-CG2 4.19Å; V1128-T1171 PolarHBondContact O-N 3.13Å; V1128-T1171 VanDerWaalsContact O-N 3.16Å; K1129-T1171 HydrophobicContact CG-CG2 4.36Å
1172	V	91.8	Very high	93	Very high	72 Å²	72	35.5 Å²	35.5	44%	0.436	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-37.7	-171.3	176.8	0	0	0	0	112.4	D1170	D1170-V1172 PolarHBondContact O-N 2.92Å; D1170-V1172 WeakPolarHBondContact OD1-CA 3.47Å; D1170-V1172 PolarHBondContact OD1-N 3.23Å
1173	C	90.2	Very high	92.9	Very high	36 Å²	36	33.7 Å²	33.7	24%	0.243	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-9.8	173.2	-90.2	0	0	0	0	113.8	R1130 D1170 H1177 N1313 L1317	R1130-C1173 PolarHBondContact NH2-SG 2.73Å; D1170-C1173 PolarHBondContact OD1-N 3.44Å; C1173-H1177 WeakPolarHBondContact CB-CD2 3.46Å; C1173-H1177 WeakPolarHBondContact CB-NE2 3.32Å; C1173-N1313 PolarHBondContact SG-OD1 3.21Å; C1173-L1317 HydrophobicContact CB-CD2 3.97Å; C1173-L1317 HydrophobicContact CB-CG 4.29Å
1174	G	87.7	Confident	93	Very high	28 Å²	28	33.5 Å²	33.5	29%	0.289	18%	0.183	S	C	.	.	B	Isolated β-bridge	trans	102.9	159.4	172.7	0	0	0	0	0	114.8	G1169 D1170 C1176 H1177	G1169-G1174 WeakPolarHBondContact CA-O 3.26Å; D1170-G1174 PolarHBondContact N-O 3.45Å; D1170-G1174 CarbonylContact O-C 3.57Å; D1170-G1174 WeakPolarHBondContact O-CA 3.06Å; D1170-G1174 PolarHBondContact O-N 3.3Å; G1174-C1176 VanDerWaalsContact C-N 3.32Å; G1174-C1176 PolarHBondContact O-N 2.75Å; G1174-C1176 VanDerWaalsContact O-N 3.13Å; G1174-H1177 PolarHBondContact O-CD2 2.82Å
1175	D	87.9	Confident	92.8	Very high	73 Å²	73	34.3 Å²	34.3	39%	0.39	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.5	-159.3	-58.4	-16.9	0	0	0	115.8	R1124 V1127 G1169	R1124-D1175 IonicContact CZ-OD1 3.62Å; R1124-D1175 IonicContact NH1-OD1 3.48Å; R1124-D1175 PolarHBondContact NH1-OD1 3.3Å; R1124-D1175 IonicContact NH1-OD2 3.31Å; V1127-D1175 HydrophobicContact CG2-CB 3.53Å; G1169-D1175 WeakPolarHBondContact CA-O 3.23Å; G1169-D1175 PolarHBondContact N-O 2.82Å
1176	C	87	Confident	92.5	Very high	86 Å²	86	33.8 Å²	33.8	58%	0.581	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137.9	40.3	-170.4	61.9	0	0	0	0	114.6	E1168 G1174 E1178	E1168-C1176 CarbonylContact O-C 3.43Å; G1174-C1176 VanDerWaalsContact C-N 3.32Å; G1174-C1176 PolarHBondContact O-N 2.75Å; G1174-C1176 VanDerWaalsContact O-N 3.13Å; C1176-E1178 VanDerWaalsContact C-N 3.34Å; C1176-E1178 PolarHBondContact O-N 3.05Å
1177	H	89.3	Confident	92.1	Very high	15 Å²	15	36.4 Å²	36.4	7%	0.069	20%	0.201	C	C	.	.			trans	-79.3	-4.5	-176.2	63.4	68.1	0	0	0	115.7	E1168 D1170 C1173 G1174 G1179 R1182 S1316 L1317	E1168-H1177 PolarHBondContact O-N 2.89Å; D1170-H1177 PolarHBondContact N-NE2 3.39Å; D1170-H1177 IonicContact OD2-NE2 3.52Å; C1173-H1177 WeakPolarHBondContact CB-CD2 3.46Å; C1173-H1177 WeakPolarHBondContact CB-NE2 3.32Å; G1174-H1177 PolarHBondContact O-CD2 2.82Å; H1177-G1179 VanDerWaalsContact C-N 3.27Å; H1177-G1179 WeakPolarHBondContact ND1-CA 3.39Å; H1177-G1179 PolarHBondContact ND1-N 3.06Å; H1177-G1179 VanDerWaalsContact ND1-N 3.17Å; H1177-G1179 PolarHBondContact O-N 3.46Å; H1177-R1182 PolarHBondContact O-NH1 3.29Å; H1177-R1182 PolarHBondContact O-NH2 3.01Å; H1177-S1316 PolarHBondContact CE1-O 3.48Å; H1177-S1316 PolarHBondContact ND1-O 2.97Å; H1177-L1317 HydrophobicContact CB-CD2 3.6Å
1178	E	92.3	Very high	91.7	Very high	32 Å²	32	39.8 Å²	39.8	15%	0.15	22%	0.223	C	C	.	.			trans	54.7	39.4	-179.8	-68.2	-76.2	73.7	0	0	113.1	E1168 C1176 R1181 R1182	E1168-E1178 PolarHBondContact O-N 3.39Å; C1176-E1178 VanDerWaalsContact C-N 3.34Å; C1176-E1178 PolarHBondContact O-N 3.05Å; E1178-R1181 WeakPolarHBondContact OE2-CD 3.42Å; E1178-R1181 IonicContact OE2-CZ 2.8Å; E1178-R1181 IonicContact OE2-NE 3.97Å; E1178-R1181 IonicContact OE2-NH1 2.71Å; E1178-R1181 PolarHBondContact OE2-NH1 2.97Å; E1178-R1182 WeakPolarHBondContact O-CG 3.46Å; E1178-R1182 PolarHBondContact O-N 3.38Å; E1178-R1182 PolarHBondContact O-NH1 3.09Å; E1178-R1182 VanDerWaalsContact O-NH1 3.1Å
1179	G	93.8	Very high	91.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-61.7	-175.8	0	0	0	0	0	113.5	H1177 R1181 R1182 G1183 S1316	H1177-G1179 VanDerWaalsContact C-N 3.27Å; H1177-G1179 WeakPolarHBondContact ND1-CA 3.39Å; H1177-G1179 PolarHBondContact ND1-N 3.06Å; H1177-G1179 VanDerWaalsContact ND1-N 3.17Å; H1177-G1179 PolarHBondContact O-N 3.46Å; G1179-R1181 VanDerWaalsContact C-N 3.27Å; G1179-R1181 PolarHBondContact O-N 2.98Å; G1179-R1182 PolarHBondContact O-N 2.92Å; G1179-R1182 VanDerWaalsContact O-N 3.1Å; G1179-G1183 PolarHBondContact O-N 3.45Å; G1179-G1183 VanDerWaalsContact O-N 3.13Å; G1179-S1316 WeakPolarHBondContact CA-O 3.39Å
1180	P	96	Very high	90.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-51.7	-45.1	176.3	-30	38.1	0	0	0	113	Y1134 I1138 I1144 I1167 R1182 G1183 R1184	Y1134-P1180 HydrophobicContact CE2-CG 3.93Å; I1138-P1180 HydrophobicContact CD1-CG 4.21Å; I1138-P1180 HydrophobicContact CG1-CB 4.45Å; I1138-P1180 HydrophobicContact CG1-CG 4.28Å; I1144-P1180 HydrophobicContact CB-CB 4.02Å; I1144-P1180 HydrophobicContact CB-CG 4.39Å; I1144-P1180 HydrophobicContact CD1-CB 4.01Å; I1144-P1180 HydrophobicContact CD1-CG 4.11Å; I1144-P1180 HydrophobicContact CG1-CB 4.13Å; I1167-P1180 HydrophobicContact CB-CG 4.28Å; I1167-P1180 HydrophobicContact CG2-CG 4.33Å; I1167-P1180 WeakPolarHBondContact O-CG 3.31Å; P1180-R1182 PolarHBondContact O-N 3.19Å; P1180-G1183 WeakPolarHBondContact O-CA 3.43Å; P1180-G1183 PolarHBondContact O-N 3.42Å; P1180-G1183 VanDerWaalsContact O-N 3.11Å; P1180-R1184 WeakPolarHBondContact O-CB 3.45Å; P1180-R1184 PolarHBondContact O-N 2.89Å
1181	R	95.1	Very high	89.4	Confident	77 Å²	77	40.3 Å²	40.3	29%	0.291	23%	0.232	S	C	.	.	H	α-helix	trans	-60.5	-40.7	178	-166.2	-179.6	-174.1	168.8	9	113.5	E1166 E1178 G1179 L1185	E1166-R1181 VanDerWaalsContact OE1-CA 3.28Å; E1166-R1181 WeakPolarHBondContact OE1-CA 3.42Å; E1166-R1181 PolarHBondContact OE1-N 3.2Å; E1178-R1181 WeakPolarHBondContact OE2-CD 3.42Å; E1178-R1181 IonicContact OE2-CZ 2.8Å; E1178-R1181 IonicContact OE2-NE 3.97Å; E1178-R1181 IonicContact OE2-NH1 2.71Å; E1178-R1181 PolarHBondContact OE2-NH1 2.97Å; G1179-R1181 VanDerWaalsContact C-N 3.27Å; G1179-R1181 PolarHBondContact O-N 2.98Å; R1181-L1185 HydrophobicContact CG-CD1 4.02Å; R1181-L1185 HydrophobicContact CG-CG 4.48Å; R1181-L1185 WeakPolarHBondContact O-CB 3.04Å; R1181-L1185 VanDerWaalsContact O-CG 3.28Å; R1181-L1185 WeakPolarHBondContact O-CG 3.36Å; R1181-L1185 PolarHBondContact O-N 3.05Å
1182	R	93.2	Very high	87.5	Confident	49 Å²	49	43.3 Å²	43.3	19%	0.185	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-39.7	173.7	-83	-166.3	-64	-75	1.7	112.3	H1177 E1178 G1179 P1180 G1186 V1187 L1317 Y1318	H1177-R1182 PolarHBondContact O-NH1 3.29Å; H1177-R1182 PolarHBondContact O-NH2 3.01Å; E1178-R1182 WeakPolarHBondContact O-CG 3.46Å; E1178-R1182 PolarHBondContact O-N 3.38Å; E1178-R1182 PolarHBondContact O-NH1 3.09Å; E1178-R1182 VanDerWaalsContact O-NH1 3.1Å; G1179-R1182 PolarHBondContact O-N 2.92Å; G1179-R1182 VanDerWaalsContact O-N 3.1Å; P1180-R1182 PolarHBondContact O-N 3.19Å; R1182-G1186 PolarHBondContact O-N 3.43Å; R1182-V1187 HydrophobicContact CB-CB 4.28Å; R1182-V1187 HydrophobicContact CB-CG2 4.37Å; R1182-V1187 HydrophobicContact CG-CB 4.24Å; R1182-V1187 HydrophobicContact CG-CG2 4.19Å; R1182-V1187 PolarHBondContact O-N 2.93Å; R1182-L1317 VanDerWaalsContact CZ-O 3.26Å; R1182-L1317 PolarHBondContact NE-O 3.5Å; R1182-L1317 PolarHBondContact NH2-O 3.47Å; R1182-Y1318 HydrophobicContact CB-CD1 4.11Å; R1182-Y1318 HydrophobicContact CB-CG 4.43Å; R1182-Y1318 WeakPolarHBondContact O-CD1 3.26Å
1183	G	94.3	Very high	85.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-57.6	173.9	0	0	0	0	0	111.8	I1138 R1141 G1179 P1180 L1185 G1186	I1138-G1183 WeakPolarHBondContact O-CA 3.32Å; R1141-G1183 WeakPolarHBondContact CG-O 3.46Å; G1179-G1183 PolarHBondContact O-N 3.45Å; G1179-G1183 VanDerWaalsContact O-N 3.13Å; P1180-G1183 WeakPolarHBondContact O-CA 3.43Å; P1180-G1183 PolarHBondContact O-N 3.42Å; P1180-G1183 VanDerWaalsContact O-N 3.11Å; G1183-L1185 VanDerWaalsContact C-N 3.35Å; G1183-L1185 PolarHBondContact O-N 2.92Å; G1183-G1186 WeakPolarHBondContact O-CA 3.48Å; G1183-G1186 PolarHBondContact O-N 3.27Å
1184	R	94.5	Very high	83.3	Confident	48 Å²	48	45.4 Å²	45.4	18%	0.181	26%	0.257	C	S	.	.	H	α-helix	trans	-53	-45.9	178.1	-175	173.7	61.4	89.9	-7.1	113.5	W1143 E1166 P1180 G1186	W1143-R1184 VanDerWaalsContact CE3-CD 3.47Å; W1143-R1184 VanDerWaalsContact CE3-NE 3.32Å; W1143-R1184 VanDerWaalsContact CZ2-NH1 3.32Å; W1143-R1184 VanDerWaalsContact CZ3-NH2 3.27Å; E1166-R1184 VanDerWaalsContact CD-NH2 3.31Å; E1166-R1184 IonicContact OE1-CZ 2.73Å; E1166-R1184 IonicContact OE1-NE 2.71Å; E1166-R1184 PolarHBondContact OE1-NE 3.12Å; E1166-R1184 IonicContact OE1-NH2 3.86Å; E1166-R1184 PolarHBondContact OE1-NH2 3.3Å; E1166-R1184 IonicContact OE2-CZ 2.81Å; E1166-R1184 IonicContact OE2-NE 3.2Å; E1166-R1184 IonicContact OE2-NH2 3.76Å; E1166-R1184 PolarHBondContact OE2-NH2 3.46Å; P1180-R1184 WeakPolarHBondContact O-CB 3.45Å; P1180-R1184 PolarHBondContact O-N 2.89Å; R1184-G1186 PolarHBondContact O-N 3.42Å
1185	L	91.7	Very high	81.1	Confident	89 Å²	89	48 Å²	48	47%	0.466	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-3.2	177.7	-63.7	178.1	0	0	0	113.9	R1181 G1183 V1187	R1181-L1185 HydrophobicContact CG-CD1 4.02Å; R1181-L1185 HydrophobicContact CG-CG 4.48Å; R1181-L1185 WeakPolarHBondContact O-CB 3.04Å; R1181-L1185 VanDerWaalsContact O-CG 3.28Å; R1181-L1185 WeakPolarHBondContact O-CG 3.36Å; R1181-L1185 PolarHBondContact O-N 3.05Å; G1183-L1185 VanDerWaalsContact C-N 3.35Å; G1183-L1185 PolarHBondContact O-N 2.92Å; L1185-V1187 VanDerWaalsContact C-N 3.31Å; L1185-V1187 HydrophobicContact CB-CG2 4Å; L1185-V1187 PolarHBondContact O-N 3.4Å
1186	G	90.7	Very high	78.6	Confident	15 Å²	15	54.2 Å²	54.2	16%	0.155	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	30.6	178.8	0	0	0	0	0	114	R1182 G1183 R1184	R1182-G1186 PolarHBondContact O-N 3.43Å; G1183-G1186 WeakPolarHBondContact O-CA 3.48Å; G1183-G1186 PolarHBondContact O-N 3.27Å; R1184-G1186 PolarHBondContact O-N 3.42Å
1187	V	88	Confident	76.1	Confident	59 Å²	59	55.3 Å²	55.3	36%	0.358	28%	0.282	S	S	.	.			trans	-64.2	127.3	-175	-179.6	0	0	0	0	110.2	R1182 L1185 A1189 Y1318	R1182-V1187 HydrophobicContact CB-CB 4.28Å; R1182-V1187 HydrophobicContact CB-CG2 4.37Å; R1182-V1187 HydrophobicContact CG-CB 4.24Å; R1182-V1187 HydrophobicContact CG-CG2 4.19Å; R1182-V1187 PolarHBondContact O-N 2.93Å; L1185-V1187 VanDerWaalsContact C-N 3.31Å; L1185-V1187 HydrophobicContact CB-CG2 4Å; L1185-V1187 PolarHBondContact O-N 3.4Å; V1187-A1189 PolarHBondContact O-N 3.09Å; V1187-Y1318 VanDerWaalsContact O-CE1 3.22Å; V1187-Y1318 WeakPolarHBondContact O-CE1 3.1Å
1188	P	87.3	Confident	73.2	Confident	71 Å²	71	60 Å²	60	46%	0.461	31%	0.313	S	S	.	.			trans	-53.6	113.2	-178.4	-30.5	36.9	0	0	0	113.4	I1190 R1214	P1188-I1190 PolarHBondContact O-N 2.72Å; P1188-R1214 HydrophobicContact CB-CB 4.19Å
1189	A	87.7	Confident	70.5	Confident	4 Å²	4	66.5 Å²	66.5	3%	0.033	34%	0.341	C	S	.	.	S	Bend	trans	-72.3	-8.2	-176.2	0	0	0	0	0	113.6	V1187 R1214 P1216 R1320	V1187-A1189 PolarHBondContact O-N 3.09Å; A1189-R1214 WeakPolarHBondContact CB-O 3.34Å; A1189-R1214 PolarHBondContact N-O 2.92Å; A1189-P1216 HydrophobicContact CB-CB 4.3Å; A1189-P1216 HydrophobicContact CB-CG 3.81Å; A1189-R1320 PolarHBondContact O-N 3.15Å
1190	I	82.6	Confident	67.5	Low	9 Å²	9	75 Å²	75	5%	0.046	37%	0.373	C	S	.	.	S	Bend	trans	-129.5	118.1	-179.9	-53.7	173.1	0	0	0	108.6	P1188 L1194 R1320	P1188-I1190 PolarHBondContact O-N 2.72Å; I1190-L1194 HydrophobicContact CG2-CD1 4.35Å; I1190-L1194 HydrophobicContact CG2-CD2 4.47Å; I1190-R1320 HydrophobicContact CG1-CB 4.1Å
1191	P	63.1	Low	64.5	Low	59 Å²	59	81.7 Å²	81.7	38%	0.383	41%	0.409	S	S	.	.			trans	-60.9	145	175.7	-24.2	34.9	0	0	0	113.3	S1193	P1191-S1193 PolarHBondContact O-N 3.38Å
1192	Q	54	Low	61.5	Low	87 Å²	87	82.1 Å²	82.1	41%	0.407	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	6.2	-179.2	-61.8	-178.1	-11.5	0	0	115
1193	S	45.8	Very low	58.7	Low	85 Å²	85	85 Å²	85	59%	0.594	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-25.8	180	46.3	0	0	0	0	113.2	P1191 D1195	P1191-S1193 PolarHBondContact O-N 3.38Å; S1193-D1195 VanDerWaalsContact C-N 3.3Å; S1193-D1195 PolarHBondContact O-N 3.14Å
1194	L	47.9	Very low	55.9	Low	68 Å²	68	90.6 Å²	90.6	36%	0.356	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-66.1	-29.8	-179.2	-82.7	78.3	0	0	0	113	I1190 R1196	I1190-L1194 HydrophobicContact CG2-CD1 4.35Å; I1190-L1194 HydrophobicContact CG2-CD2 4.47Å; L1194-R1196 PolarHBondContact O-N 3.25Å; L1194-R1196 VanDerWaalsContact O-N 3.16Å
1195	D	40.9	Very low	53.1	Low	81 Å²	81	96.5 Å²	96.5	43%	0.433	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-70.8	-9.7	-171.8	-58.5	-92	0	0	0	115	S1193 L1197 R1214	S1193-D1195 VanDerWaalsContact C-N 3.3Å; S1193-D1195 PolarHBondContact O-N 3.14Å; D1195-L1197 VanDerWaalsContact C-N 3.34Å; D1195-L1197 PolarHBondContact O-N 2.74Å; D1195-R1214 IonicContact OD1-CZ 2.71Å; D1195-R1214 IonicContact OD1-NH1 3.51Å; D1195-R1214 IonicContact OD1-NH2 3.15Å; D1195-R1214 PolarHBondContact OD1-NH2 2.91Å; D1195-R1214 IonicContact OD2-CZ 3.82Å; D1195-R1214 IonicContact OD2-NH1 3.19Å; D1195-R1214 PolarHBondContact OD2-NH1 3.41Å; D1195-R1214 IonicContact OD2-NH2 3.37Å; D1195-R1214 PolarHBondContact OD2-NH2 3.5Å
1196	R	34.6	Very low	50.3	Low	205 Å²	205	100.2 Å²	100.2	77%	0.774	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-89.8	21.2	-170.6	-64.9	-164.3	178.7	-145.4	0.7	115.4	L1194	L1194-R1196 PolarHBondContact O-N 3.25Å; L1194-R1196 VanDerWaalsContact O-N 3.16Å
1197	L	35.7	Very low	47.5	Very low	109 Å²	109	105.6 Å²	105.6	57%	0.571	55%	0.553	S	S	*	*			trans	-87.3	113.3	166.7	-70	177.8	0	0	0	110.4	D1195 F1199	D1195-L1197 VanDerWaalsContact C-N 3.34Å; D1195-L1197 PolarHBondContact O-N 2.74Å; L1197-F1199 VanDerWaalsContact C-N 3.27Å; L1197-F1199 PolarHBondContact O-N 3.35Å
1198	P	28.5	Very low	45	Very low	113 Å²	113	107.7 Å²	107.7	73%	0.734	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	52.6	-162.6	36.3	-39.2	0	0	0	114.1
1199	F	34.5	Very low	42.4	Very low	169 Å²	169	108.4 Å²	108.4	74%	0.741	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	2.6	-177.1	-72.2	-76	0	0	0	115.1	L1197	L1197-F1199 VanDerWaalsContact C-N 3.27Å; L1197-F1199 PolarHBondContact O-N 3.35Å
1200	R	31.6	Very low	39.9	Very low	179 Å²	179	117.6 Å²	117.6	68%	0.675	61%	0.613	S	S	*	*	S	Bend	trans	-88.6	112.5	171	-129.8	172.6	169	-124.9	-9.4	109.3	S1202 E1208	R1200-S1202 PolarHBondContact O-N 3.47Å; R1200-E1208 IonicContact CZ-OE2 2.69Å; R1200-E1208 VanDerWaalsContact CZ-OE2 3.32Å; R1200-E1208 IonicContact NH1-OE2 2.8Å; R1200-E1208 PolarHBondContact NH1-OE2 2.7Å; R1200-E1208 IonicContact NH2-OE1 3.75Å; R1200-E1208 PolarHBondContact NH2-OE1 3.21Å; R1200-E1208 IonicContact NH2-OE2 2.72Å; R1200-E1208 PolarHBondContact NH2-OE2 3.14Å; R1200-E1208 VanDerWaalsContact NH2-OE2 3.08Å
1201	N	32.8	Very low	38	Very low	139 Å²	139	122.6 Å²	122.6	74%	0.743	65%	0.649	S	S	*	*			trans	-50.3	130.6	-178.2	-81	-24.4	0	0	0	111.9	S1203	N1201-S1203 PolarHBondContact O-N 2.94Å
1202	S	31.2	Very low	37.6	Very low	87 Å²	87	123.9 Å²	123.9	61%	0.608	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-68.8	-7.4	-168	-60.9	0	0	0	0	115.9	R1200 N1204	R1200-S1202 PolarHBondContact O-N 3.47Å; S1202-N1204 PolarHBondContact O-N 3.37Å
1203	S	35.4	Very low	38.1	Very low	108 Å²	108	122.6 Å²	122.6	76%	0.755	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-73.6	-23	-169.8	-46.2	0	0	0	0	115.4	N1201	N1201-S1203 PolarHBondContact O-N 2.94Å
1204	N	35.6	Very low	39.8	Very low	119 Å²	119	121.2 Å²	121.2	64%	0.636	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-97.7	11.2	-179.8	-74.3	26	0	0	0	113.6	S1202 L1206	S1202-N1204 PolarHBondContact O-N 3.37Å; N1204-L1206 PolarHBondContact O-N 3.16Å
1205	R	34.9	Very low	41.9	Very low	171 Å²	171	120.1 Å²	120.1	65%	0.645	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-2.1	-169.8	-81.2	-177.2	178.2	-97.8	-3	116.5
1206	L	33.9	Very low	44.4	Very low	168 Å²	168	116.3 Å²	116.3	88%	0.88	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	3.2	-170.1	-66.3	173.7	0	0	0	115.1	N1204	N1204-L1206 PolarHBondContact O-N 3.16Å
1207	T	32.6	Very low	47.3	Very low	127 Å²	127	106.5 Å²	106.5	78%	0.779	57%	0.571	S	S	*	*	S	Bend	trans	-133.9	-3.7	-176.7	51.4	0	0	0	0	115.8
1208	E	35.3	Very low	49.9	Very low	104 Å²	104	102.3 Å²	102.3	49%	0.486	55%	0.55	S	S	.	*	S	Bend	trans	-111.5	8.7	-173.8	-63.9	-173.2	171.2	0	0	114.3	R1200	R1200-E1208 IonicContact CZ-OE2 2.69Å; R1200-E1208 VanDerWaalsContact CZ-OE2 3.32Å; R1200-E1208 IonicContact NH1-OE2 2.8Å; R1200-E1208 PolarHBondContact NH1-OE2 2.7Å; R1200-E1208 IonicContact NH2-OE1 3.75Å; R1200-E1208 PolarHBondContact NH2-OE1 3.21Å; R1200-E1208 IonicContact NH2-OE2 2.72Å; R1200-E1208 PolarHBondContact NH2-OE2 3.14Å; R1200-E1208 VanDerWaalsContact NH2-OE2 3.08Å
1209	A	32.1	Very low	52.7	Low	86 Å²	86	101.4 Å²	101.4	71%	0.711	54%	0.536	S	S	*	.	S	Bend	trans	-93	-14.9	-159.6	0	0	0	0	0	117.3
1210	E	35.4	Very low	55.5	Low	197 Å²	197	93.4 Å²	93.4	92%	0.921	50%	0.501	S	S	*	.	S	Bend	trans	-119.8	0.3	-158.5	-63.2	-170.6	137.7	0	0	117.1
1211	S	41.7	Very low	58.5	Low	114 Å²	114	85.8 Å²	85.8	80%	0.797	47%	0.472	S	S	*	.			trans	-143.6	0.8	-166.5	62.6	0	0	0	0	119.4	D1213	S1211-D1213 PolarHBondContact O-N 2.95Å; S1211-D1213 VanDerWaalsContact O-N 3.12Å
1212	S	55	Low	61.5	Low	85 Å²	85	79.2 Å²	79.2	59%	0.594	44%	0.437	S	S	*	.			trans	-75	104.6	-174.3	71.3	0	0	0	0	113.7	R1214	S1212-R1214 PolarHBondContact O-N 3.15Å
1213	D	65.7	Low	64.6	Low	60 Å²	60	75 Å²	75	32%	0.321	41%	0.408	S	S	.	.			trans	-67.1	99.3	171.9	-170	6.5	0	0	0	110.7	R1141 S1211 R1215	R1141-D1213 IonicContact CZ-OD1 3.73Å; R1141-D1213 IonicContact CZ-OD2 3.04Å; R1141-D1213 IonicContact NE-OD2 2.75Å; R1141-D1213 IonicContact NH2-OD1 2.92Å; R1141-D1213 PolarHBondContact NH2-OD1 3.3Å; R1141-D1213 IonicContact NH2-OD2 3.49Å; R1141-D1213 PolarHBondContact NH2-OD2 3.36Å; S1211-D1213 PolarHBondContact O-N 2.95Å; S1211-D1213 VanDerWaalsContact O-N 3.12Å; D1213-R1215 VanDerWaalsContact C-N 3.29Å; D1213-R1215 PolarHBondContact O-N 3.39Å; D1213-R1215 IonicContact OD2-CZ 3.15Å; D1213-R1215 IonicContact OD2-NE 3.13Å; D1213-R1215 PolarHBondContact OD2-NE 2.96Å; D1213-R1215 IonicContact OD2-NH2 2.76Å; D1213-R1215 PolarHBondContact OD2-NH2 2.66Å
1214	R	81.5	Confident	67.4	Low	56 Å²	56	70 Å²	70	21%	0.211	37%	0.373	C	S	.	.			trans	-77.1	73.5	-171.9	-73	-167.8	173.1	-153.6	-6.3	112.7	P1188 A1189 D1195 S1212	P1188-R1214 HydrophobicContact CB-CB 4.19Å; A1189-R1214 WeakPolarHBondContact CB-O 3.34Å; A1189-R1214 PolarHBondContact N-O 2.92Å; D1195-R1214 IonicContact OD1-CZ 2.71Å; D1195-R1214 IonicContact OD1-NH1 3.51Å; D1195-R1214 IonicContact OD1-NH2 3.15Å; D1195-R1214 PolarHBondContact OD1-NH2 2.91Å; D1195-R1214 IonicContact OD2-CZ 3.82Å; D1195-R1214 IonicContact OD2-NH1 3.19Å; D1195-R1214 PolarHBondContact OD2-NH1 3.41Å; D1195-R1214 IonicContact OD2-NH2 3.37Å; D1195-R1214 PolarHBondContact OD2-NH2 3.5Å; S1212-R1214 PolarHBondContact O-N 3.15Å
1215	R	91.5	Very high	70.2	Confident	46 Å²	46	65.9 Å²	65.9	17%	0.174	35%	0.349	C	S	.	.			trans	-77.9	162.6	176.4	-63.4	169.2	174.5	-100.3	-17.2	112.7	L1139 D1213 F1217 S1218 D1242 G1243	L1139-R1215 PolarHBondContact O-NH1 2.8Å; D1213-R1215 VanDerWaalsContact C-N 3.29Å; D1213-R1215 PolarHBondContact O-N 3.39Å; D1213-R1215 IonicContact OD2-CZ 3.15Å; D1213-R1215 IonicContact OD2-NE 3.13Å; D1213-R1215 PolarHBondContact OD2-NE 2.96Å; D1213-R1215 IonicContact OD2-NH2 2.76Å; D1213-R1215 PolarHBondContact OD2-NH2 2.66Å; R1215-F1217 VanDerWaalsContact C-N 3.25Å; R1215-F1217 PolarHBondContact O-N 3.01Å; R1215-S1218 PolarHBondContact N-OG 3.35Å; R1215-S1218 VanDerWaalsContact N-OG 3.1Å; R1215-S1218 WeakPolarHBondContact O-CB 3.43Å; R1215-S1218 PolarHBondContact O-N 3.21Å; R1215-S1218 PolarHBondContact O-OG 3.43Å; R1215-D1242 WeakPolarHBondContact CD-O 3.39Å; R1215-D1242 PolarHBondContact NH1-O 3.41Å; R1215-G1243 CarbonylContact C-O 3.6Å; R1215-G1243 WeakPolarHBondContact CB-O 3.41Å
1216	P	93	Very high	72.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.3	-169.8	-28	35.7	0	0	0	116.9	A1189 C1314 Y1318 R1320	A1189-P1216 HydrophobicContact CB-CB 4.3Å; A1189-P1216 HydrophobicContact CB-CG 3.81Å; P1216-C1314 HydrophobicContact CB-CB 4.27Å; P1216-Y1318 HydrophobicContact CG-CD2 4.13Å; P1216-Y1318 HydrophobicContact CG-CE2 4.38Å; P1216-R1320 VanDerWaalsContact O-CZ 3.3Å; P1216-R1320 PolarHBondContact O-NE 2.81Å; P1216-R1320 PolarHBondContact O-NH2 3.41Å
1217	F	95.2	Very high	75.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	5	-176.8	-49.5	-43.3	0	0	0	114.9	R1215 E1219 L1220 L1222 G1243 G1244 A1245 W1310 M1311 C1314 I1315 R1320	R1215-F1217 VanDerWaalsContact C-N 3.25Å; R1215-F1217 PolarHBondContact O-N 3.01Å; F1217-E1219 PolarHBondContact O-N 3.37Å; F1217-L1220 WeakPolarHBondContact O-CB 3.07Å; F1217-L1220 PolarHBondContact O-N 2.55Å; F1217-L1222 HydrophobicContact CB-CD1 4.1Å; F1217-L1222 HydrophobicContact CD1-CD1 4.21Å; F1217-L1222 HydrophobicContact CD2-CD1 4.07Å; F1217-L1222 HydrophobicContact CG-CD1 3.85Å; F1217-G1243 WeakPolarHBondContact CA-O 3.39Å; F1217-G1243 WeakPolarHBondContact CB-O 3.48Å; F1217-G1243 PolarHBondContact N-O 2.92Å; F1217-G1244 CarbonylContact C-O 3.52Å; F1217-A1245 HydrophobicContact CB-CB 3.99Å; F1217-W1310 AromaticContact CD1-CH2 3.96Å; F1217-W1310 HydrophobicContact CD1-CH2 3.96Å; F1217-W1310 HydrophobicContact CD1-CZ3 4.09Å; F1217-W1310 HydrophobicContact CE1-CH2 4.06Å; F1217-W1310 AromaticContact CE1-CZ3 3.94Å; F1217-W1310 HydrophobicContact CE1-CZ3 3.94Å; F1217-M1311 HydrophobicContact CE1-CG 3.97Å; F1217-M1311 HydrophobicContact CE2-CG 3.69Å; F1217-M1311 HydrophobicContact CE2-SD 4.45Å; F1217-M1311 HydrophobicContact CZ-CB 4.23Å; F1217-M1311 HydrophobicContact CZ-CG 3.28Å; F1217-C1314 HydrophobicContact CE1-CB 3.72Å; F1217-C1314 HydrophobicContact CZ-CB 4.08Å; F1217-I1315 HydrophobicContact CE2-CD1 4.11Å; F1217-I1315 HydrophobicContact CE2-CG1 3.93Å; F1217-I1315 HydrophobicContact CZ-CD1 4.19Å; F1217-I1315 HydrophobicContact CZ-CG1 3.79Å; F1217-R1320 PolarHBondContact O-NH2 2.88Å
1218	S	91.5	Very high	78.1	Confident	20 Å²	20	52.2 Å²	52.2	14%	0.14	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.1	135	172.2	-49.9	0	0	0	0	113.3	R1215 L1220 G1244 R1320	R1215-S1218 PolarHBondContact N-OG 3.35Å; R1215-S1218 VanDerWaalsContact N-OG 3.1Å; R1215-S1218 WeakPolarHBondContact O-CB 3.43Å; R1215-S1218 PolarHBondContact O-N 3.21Å; R1215-S1218 PolarHBondContact O-OG 3.43Å; S1218-L1220 PolarHBondContact O-N 2.8Å; S1218-G1244 VanDerWaalsContact CA-O 3.26Å; S1218-G1244 WeakPolarHBondContact CA-O 3.46Å; S1218-G1244 PolarHBondContact N-O 2.89Å; S1218-R1320 VanDerWaalsContact O-CZ 3.25Å; S1218-R1320 PolarHBondContact O-NH1 2.76Å; S1218-R1320 PolarHBondContact O-NH2 3.11Å
1219	E	86.6	Confident	80.6	Confident	95 Å²	95	48.9 Å²	48.9	44%	0.444	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	0.3	-176.9	-41.7	176.9	155.8	0	0	117	F1217 T1246 R1277	F1217-E1219 PolarHBondContact O-N 3.37Å; E1219-T1246 VanDerWaalsContact CA-OG1 3.31Å; E1219-T1246 WeakPolarHBondContact CA-OG1 3.32Å; E1219-T1246 PolarHBondContact N-OG1 3.35Å; E1219-R1277 IonicContact OE2-NH1 3.75Å; E1219-R1277 PolarHBondContact OE2-NH1 3.4Å
1220	L	92.2	Very high	83.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	151.3	179.5	-59.6	179.7	0	0	0	112.5	F714 F1217 S1218 L1222 T1246 R1277 W1310	F714-L1220 HydrophobicContact CE1-CD2 4.09Å; F714-L1220 HydrophobicContact CZ-CD2 4.2Å; F1217-L1220 WeakPolarHBondContact O-CB 3.07Å; F1217-L1220 PolarHBondContact O-N 2.55Å; S1218-L1220 PolarHBondContact O-N 2.8Å; L1220-L1222 HydrophobicContact CB-CD2 4.18Å; L1220-L1222 HydrophobicContact CD1-CD2 4.48Å; L1220-T1246 PolarHBondContact O-N 3.44Å; L1220-R1277 WeakPolarHBondContact CA-O 3.38Å; L1220-R1277 HydrophobicContact CD2-CB 3.58Å; L1220-W1310 HydrophobicContact CD1-CH2 3.58Å; L1220-W1310 HydrophobicContact CD1-CZ2 4.32Å
1221	W	94.8	Very high	85.8	Confident	20 Å²	20	38.8 Å²	38.8	8%	0.076	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.3	165.2	-72.6	21.3	0	0	0	107.7	R1247 F1249 A1258 L1262 P1276 R1277 A1278 V1279	W1221-R1247 WeakPolarHBondContact CA-O 3.22Å; W1221-R1247 HydrophobicContact CD2-CB 4.07Å; W1221-R1247 HydrophobicContact CD2-CG 4.33Å; W1221-R1247 HydrophobicContact CG-CB 3.95Å; W1221-R1247 HydrophobicContact CZ2-CG 4.36Å; W1221-F1249 HydrophobicContact CB-CE2 4.15Å; W1221-F1249 HydrophobicContact CD2-CE2 4.01Å; W1221-F1249 HydrophobicContact CD2-CZ 4.33Å; W1221-F1249 AromaticContact CE3-CE2 3.6Å; W1221-F1249 HydrophobicContact CE3-CE2 3.6Å; W1221-F1249 AromaticContact CE3-CZ 3.72Å; W1221-F1249 HydrophobicContact CE3-CZ 3.72Å; W1221-F1249 HydrophobicContact CG-CE2 4.27Å; W1221-F1249 HydrophobicContact CZ3-CE2 4.35Å; W1221-F1249 AromaticContact CZ3-CZ 4Å; W1221-F1249 HydrophobicContact CZ3-CZ 4Å; W1221-A1258 HydrophobicContact CH2-CB 4.33Å; W1221-A1258 HydrophobicContact CZ3-CB 3.93Å; W1221-L1262 HydrophobicContact CH2-CD2 4Å; W1221-L1262 HydrophobicContact CZ2-CD2 4.25Å; W1221-P1276 HydrophobicContact CD2-CB 3.66Å; W1221-P1276 HydrophobicContact CD2-CG 4.21Å; W1221-P1276 HydrophobicContact CE3-CB 3.92Å; W1221-P1276 HydrophobicContact CE3-CG 3.93Å; W1221-P1276 HydrophobicContact CG-CB 4.16Å; W1221-P1276 HydrophobicContact CH2-CB 4.12Å; W1221-P1276 HydrophobicContact CH2-CG 4.01Å; W1221-P1276 HydrophobicContact CZ2-CB 3.86Å; W1221-P1276 HydrophobicContact CZ2-CG 4.27Å; W1221-P1276 HydrophobicContact CZ3-CB 4.14Å; W1221-P1276 HydrophobicContact CZ3-CG 3.83Å; W1221-R1277 PolarHBondContact N-O 3.08Å; W1221-A1278 HydrophobicContact CB-CB 4.31Å; W1221-A1278 CarbonylContact O-C 3.56Å; W1221-A1278 WeakPolarHBondContact O-CA 3.01Å; W1221-V1279 PolarHBondContact O-N 3.47Å
1222	L	96.2	Very high	88.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.1	-177.8	-59.2	-175.5	0	0	0	110.5	F1217 L1220 F1236 A1240 A1245 R1247 V1248 F1249 V1279 L1281 W1310	F1217-L1222 HydrophobicContact CB-CD1 4.1Å; F1217-L1222 HydrophobicContact CD1-CD1 4.21Å; F1217-L1222 HydrophobicContact CD2-CD1 4.07Å; F1217-L1222 HydrophobicContact CG-CD1 3.85Å; L1220-L1222 HydrophobicContact CB-CD2 4.18Å; L1220-L1222 HydrophobicContact CD1-CD2 4.48Å; L1222-F1236 HydrophobicContact CB-CZ 4.29Å; L1222-A1240 HydrophobicContact CD1-CB 3.99Å; L1222-A1245 HydrophobicContact CD1-CB 4.12Å; L1222-A1245 HydrophobicContact CG-CB 4.21Å; L1222-R1247 PolarHBondContact N-O 3.07Å; L1222-V1248 CarbonylContact O-C 3.58Å; L1222-V1248 VanDerWaalsContact O-CA 3.26Å; L1222-V1248 WeakPolarHBondContact O-CA 3.14Å; L1222-F1249 PolarHBondContact O-N 3.06Å; L1222-V1279 HydrophobicContact CD2-CB 4.18Å; L1222-L1281 HydrophobicContact CB-CD1 4.41Å; L1222-L1281 HydrophobicContact CD1-CD1 4.34Å; L1222-L1281 HydrophobicContact CD2-CD1 4.18Å; L1222-W1310 HydrophobicContact CD2-CZ3 4.26Å
1223	C	96.1	Very high	90	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.8	178.4	-172.1	0	0	0	0	110.3	F1249 K1251 L1255 V1279 I1280 L1281	C1223-F1249 WeakPolarHBondContact CA-O 3.35Å; C1223-F1249 HydrophobicContact CB-CB 4.14Å; C1223-K1251 VanDerWaalsContact SG-C 3.51Å; C1223-L1255 HydrophobicContact CB-CD1 3.69Å; C1223-V1279 PolarHBondContact N-O 3.33Å; C1223-I1280 HydrophobicContact CB-CG1 4.11Å; C1223-L1281 PolarHBondContact O-N 2.85Å
1224	A	95.3	Very high	91.3	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.017	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	153.7	166.3	0	0	0	0	0	110.7	L1228 V1233 F1236 F1249 L1281	A1224-L1228 HydrophobicContact CB-CD1 4Å; A1224-L1228 HydrophobicContact CB-CD2 4.38Å; A1224-V1233 HydrophobicContact CB-CG1 4.42Å; A1224-F1236 HydrophobicContact CB-CD1 3.88Å; A1224-F1236 HydrophobicContact CB-CE1 3.72Å; A1224-F1236 HydrophobicContact CB-CZ 4.25Å; A1224-F1249 PolarHBondContact N-O 3.12Å; A1224-L1281 CarbonylContact C-O 3.46Å
1225	Y	93.6	Very high	91.9	Very high	33 Å²	33	33.7 Å²	33.7	13%	0.129	19%	0.187	C	C	.	.			trans	-144.7	130	164	-178.4	-106.3	0	0	0	110.8	N1227 P1252 I1280 L1281 T1282 L1297	Y1225-N1227 PolarHBondContact O-N 3.11Å; Y1225-P1252 HydrophobicContact CD2-CG 3.79Å; Y1225-I1280 HydrophobicContact CG-CG2 4.46Å; Y1225-L1281 PolarHBondContact N-O 3.24Å; Y1225-T1282 PolarHBondContact O-OG1 2.84Å; Y1225-L1297 HydrophobicContact CD1-CD1 3.66Å; Y1225-L1297 HydrophobicContact CD2-CD1 3.74Å; Y1225-L1297 HydrophobicContact CD2-CD2 4.25Å; Y1225-L1297 HydrophobicContact CE1-CD1 3.44Å; Y1225-L1297 VanDerWaalsContact CE1-CD1 3.44Å; Y1225-L1297 HydrophobicContact CE2-CD1 3.52Å; Y1225-L1297 HydrophobicContact CE2-CD2 3.74Å; Y1225-L1297 HydrophobicContact CE2-CG 4.18Å; Y1225-L1297 HydrophobicContact CG-CD1 3.79Å
1226	R	88.5	Confident	92.1	Very high	128 Å²	128	31.5 Å²	31.5	48%	0.483	18%	0.179	S	C	.	.	S	Bend	trans	44.7	-117.1	-179.4	-70.3	-175	176.2	-139.9	-4.7	112.9	E1293	R1226-E1293 VanDerWaalsContact CZ-CD 3.48Å; R1226-E1293 IonicContact CZ-OE1 3.55Å; R1226-E1293 IonicContact CZ-OE2 3.35Å; R1226-E1293 IonicContact NE-OE2 3.3Å; R1226-E1293 PolarHBondContact NE-OE2 3.19Å; R1226-E1293 IonicContact NH1-OE1 2.82Å; R1226-E1293 IonicContact NH1-OE2 2.86Å; R1226-E1293 PolarHBondContact NH1-OE2 3.31Å; R1226-E1293 IonicContact NH2-OE1 2.8Å; R1226-E1293 PolarHBondContact NH2-OE1 2.83Å; R1226-E1293 IonicContact NH2-OE2 3.5Å; R1226-E1293 PolarHBondContact NH2-OE2 2.68Å
1227	N	87.6	Confident	92.2	Very high	42 Å²	42	32.7 Å²	32.7	23%	0.225	19%	0.186	C	C	.	.			trans	-94.8	133.1	-168.4	-164.8	-47.5	0	0	0	108.8	Y1225 G1229 D1283 S1286 E1288	Y1225-N1227 PolarHBondContact O-N 3.11Å; N1227-G1229 PolarHBondContact OD1-N 3.38Å; N1227-G1229 PolarHBondContact OD1-O 3.22Å; N1227-D1283 VanDerWaalsContact O-CB 3.31Å; N1227-D1283 WeakPolarHBondContact O-CB 3.39Å; N1227-D1283 PolarHBondContact O-N 2.79Å; N1227-S1286 PolarHBondContact ND2-OG 3.01Å; N1227-S1286 VanDerWaalsContact ND2-OG 3.09Å; N1227-E1288 PolarHBondContact ND2-OE2 3.48Å
1228	L	90.7	Very high	92.2	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.042	20%	0.202	C	C	.	.			trans	-114.5	27.1	-176.1	-58	-176.8	0	0	0	110.8	A1224 L1231 V1233 F1236 I1308	A1224-L1228 HydrophobicContact CB-CD1 4Å; A1224-L1228 HydrophobicContact CB-CD2 4.38Å; L1228-L1231 HydrophobicContact CB-CB 4.38Å; L1228-V1233 HydrophobicContact CD1-CG2 4.34Å; L1228-F1236 HydrophobicContact CD1-CB 3.62Å; L1228-F1236 HydrophobicContact CD1-CD1 4.36Å; L1228-F1236 HydrophobicContact CD1-CD2 4Å; L1228-F1236 HydrophobicContact CD1-CG 3.73Å; L1228-I1308 HydrophobicContact CB-CD1 3.78Å; L1228-I1308 HydrophobicContact CD2-CD1 4.21Å; L1228-I1308 HydrophobicContact CG-CD1 4.4Å
1229	G	87.7	Confident	92.4	Very high	35 Å²	35	35 Å²	35	36%	0.361	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	-135.9	-168.5	0	0	0	0	0	110.3	N1227 L1231	N1227-G1229 PolarHBondContact OD1-N 3.38Å; N1227-G1229 PolarHBondContact OD1-O 3.22Å; G1229-L1231 VanDerWaalsContact C-N 3.26Å; G1229-L1231 PolarHBondContact O-N 2.92Å
1230	A	85.9	Confident	92.9	Very high	59 Å²	59	30.4 Å²	30.4	49%	0.488	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	1.2	179	0	0	0	0	0	114.6	I967 S969	I967-A1230 HydrophobicContact CB-CB 4.41Å; I967-A1230 WeakPolarHBondContact O-CB 3.5Å; S969-A1230 PolarHBondContact OG-O 2.88Å
1231	L	91.4	Very high	93	Very high	11 Å²	11	35 Å²	35	6%	0.058	20%	0.198	C	C	.	.			trans	-87.9	126.9	-178.9	-169.9	72.3	0	0	0	111.3	L1132 L1228 G1229 D1235 F1236 L1239 I1308 M1311	L1132-L1231 HydrophobicContact CD1-CD1 3.94Å; L1228-L1231 HydrophobicContact CB-CB 4.38Å; G1229-L1231 VanDerWaalsContact C-N 3.26Å; G1229-L1231 PolarHBondContact O-N 2.92Å; L1231-D1235 HydrophobicContact CD1-CB 3.54Å; L1231-D1235 HydrophobicContact CG-CB 4.06Å; L1231-F1236 HydrophobicContact CD2-CB 3.9Å; L1231-F1236 HydrophobicContact CG-CB 4.47Å; L1231-L1239 HydrophobicContact CD1-CD1 4.08Å; L1231-L1239 HydrophobicContact CD2-CD1 4.25Å; L1231-I1308 HydrophobicContact CD2-CD1 3.82Å; L1231-M1311 HydrophobicContact CD2-CE 4.08Å
1232	Q	91.8	Very high	93	Very high	84 Å²	84	35.1 Å²	35.1	39%	0.393	20%	0.2	S	C	.	.			trans	-73.4	154.1	174.5	-62.2	-175.6	3.6	0	0	111.7	A1234 D1235 F1236	Q1232-A1234 PolarHBondContact O-N 2.9Å; Q1232-D1235 WeakPolarHBondContact O-CB 3.5Å; Q1232-D1235 PolarHBondContact O-N 3.37Å; Q1232-F1236 PolarHBondContact O-N 2.86Å
1233	V	92.7	Very high	92.9	Very high	53 Å²	53	35.1 Å²	35.1	32%	0.321	20%	0.2	S	C	.	.	H	α-helix	trans	-59.6	-35.1	178.3	-178.5	0	0	0	0	111.7	A1224 L1228 F1236 C1237 E1250	A1224-V1233 HydrophobicContact CB-CG1 4.42Å; L1228-V1233 HydrophobicContact CD1-CG2 4.34Å; V1233-F1236 WeakPolarHBondContact O-CB 3.24Å; V1233-F1236 PolarHBondContact O-N 3.35Å; V1233-C1237 PolarHBondContact O-N 3.07Å; V1233-C1237 PolarHBondContact O-SG 2.93Å; V1233-C1237 VanDerWaalsContact O-SG 3.33Å; V1233-E1250 HydrophobicContact CG1-CB 4.12Å; V1233-E1250 HydrophobicContact CG1-CG 3.88Å
1234	A	93.1	Very high	92.8	Very high	66 Å²	66	36.2 Å²	36.2	55%	0.545	21%	0.211	S	C	.	.	H	α-helix	trans	-63.3	-43.2	173.7	0	0	0	0	0	112.5	Q1232 C1237 Q1238	Q1232-A1234 PolarHBondContact O-N 2.9Å; A1234-C1237 PolarHBondContact O-N 3.44Å; A1234-Q1238 PolarHBondContact O-N 2.71Å
1235	D	94.4	Very high	92.8	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.032	21%	0.214	C	C	.	.	H	α-helix	trans	-67.9	-39.6	177.3	-66.5	-42.5	0	0	0	111.7	S969 Q971 L1132 L1231 Q1232 C1237 Q1238 L1239	S969-D1235 PolarHBondContact OG-OD2 3.22Å; Q971-D1235 PolarHBondContact NE2-OD1 3.01Å; L1132-D1235 HydrophobicContact CD1-CB 4.04Å; L1132-D1235 HydrophobicContact CD2-CB 4.09Å; L1132-D1235 VanDerWaalsContact CD2-CG 3.43Å; L1132-D1235 WeakPolarHBondContact CD2-OD1 3.29Å; L1231-D1235 HydrophobicContact CD1-CB 3.54Å; L1231-D1235 HydrophobicContact CG-CB 4.06Å; Q1232-D1235 WeakPolarHBondContact O-CB 3.5Å; Q1232-D1235 PolarHBondContact O-N 3.37Å; D1235-C1237 VanDerWaalsContact C-N 3.35Å; D1235-C1237 PolarHBondContact O-N 2.85Å; D1235-Q1238 PolarHBondContact O-N 2.94Å; D1235-L1239 WeakPolarHBondContact O-CB 3.43Å; D1235-L1239 WeakPolarHBondContact O-CG 3.04Å; D1235-L1239 PolarHBondContact O-N 3.46Å
1236	F	95.9	Very high	92.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56	-48	169.4	166.9	-93.2	0	0	0	111.5	L1222 A1224 L1228 L1231 Q1232 V1233 Q1238 L1239 A1240 V1248 L1281 I1308 M1311	L1222-F1236 HydrophobicContact CB-CZ 4.29Å; A1224-F1236 HydrophobicContact CB-CD1 3.88Å; A1224-F1236 HydrophobicContact CB-CE1 3.72Å; A1224-F1236 HydrophobicContact CB-CZ 4.25Å; L1228-F1236 HydrophobicContact CD1-CB 3.62Å; L1228-F1236 HydrophobicContact CD1-CD1 4.36Å; L1228-F1236 HydrophobicContact CD1-CD2 4Å; L1228-F1236 HydrophobicContact CD1-CG 3.73Å; L1231-F1236 HydrophobicContact CD2-CB 3.9Å; L1231-F1236 HydrophobicContact CG-CB 4.47Å; Q1232-F1236 PolarHBondContact O-N 2.86Å; V1233-F1236 WeakPolarHBondContact O-CB 3.24Å; V1233-F1236 PolarHBondContact O-N 3.35Å; F1236-Q1238 PolarHBondContact O-N 2.91Å; F1236-L1239 PolarHBondContact O-N 3.14Å; F1236-A1240 VanDerWaalsContact O-CB 3.26Å; F1236-A1240 WeakPolarHBondContact O-CB 3.45Å; F1236-A1240 PolarHBondContact O-N 2.84Å; F1236-V1248 HydrophobicContact CD1-CG1 4.29Å; F1236-V1248 HydrophobicContact CE1-CG1 3.68Å; F1236-V1248 HydrophobicContact CZ-CG1 4.47Å; F1236-L1281 HydrophobicContact CE2-CB 4.11Å; F1236-L1281 HydrophobicContact CE2-CD1 3.68Å; F1236-L1281 HydrophobicContact CZ-CD1 4.09Å; F1236-I1308 HydrophobicContact CD2-CD1 4.49Å; F1236-M1311 HydrophobicContact CD2-CE 3.89Å; F1236-M1311 HydrophobicContact CD2-SD 3.81Å; F1236-M1311 HydrophobicContact CE2-CE 4.36Å; F1236-M1311 HydrophobicContact CE2-SD 3.69Å
1237	C	95.5	Very high	92.9	Very high	24 Å²	24	38.8 Å²	38.8	16%	0.162	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-42.6	177.6	-73.7	0	0	0	0	112.2	V1233 A1234 D1235 A1240 L1241 V1248	V1233-C1237 PolarHBondContact O-N 3.07Å; V1233-C1237 PolarHBondContact O-SG 2.93Å; V1233-C1237 VanDerWaalsContact O-SG 3.33Å; A1234-C1237 PolarHBondContact O-N 3.44Å; D1235-C1237 VanDerWaalsContact C-N 3.35Å; D1235-C1237 PolarHBondContact O-N 2.85Å; C1237-A1240 PolarHBondContact O-N 2.94Å; C1237-L1241 WeakPolarHBondContact O-CB 3.33Å; C1237-L1241 VanDerWaalsContact O-CG 3.26Å; C1237-L1241 WeakPolarHBondContact O-CG 3.46Å; C1237-L1241 PolarHBondContact O-N 2.99Å; C1237-V1248 HydrophobicContact CB-CG1 4.45Å
1238	Q	94.1	Very high	93.3	Very high	68 Å²	68	38.2 Å²	38.2	32%	0.318	23%	0.23	S	C	.	.	H	α-helix	trans	-64.9	-46.4	176.6	-168.4	64.4	48.8	0	0	112	M1136 A1234 D1235 F1236 A1240 L1241 D1242	M1136-Q1238 HydrophobicContact CE-CG 3.91Å; A1234-Q1238 PolarHBondContact O-N 2.71Å; D1235-Q1238 PolarHBondContact O-N 2.94Å; F1236-Q1238 PolarHBondContact O-N 2.91Å; Q1238-A1240 VanDerWaalsContact C-N 3.33Å; Q1238-A1240 PolarHBondContact O-N 3.25Å; Q1238-L1241 PolarHBondContact O-N 3.49Å; Q1238-D1242 VanDerWaalsContact NE2-CG 3.34Å; Q1238-D1242 PolarHBondContact NE2-OD1 3.49Å; Q1238-D1242 PolarHBondContact NE2-OD2 2.83Å; Q1238-D1242 VanDerWaalsContact O-CB 3.27Å; Q1238-D1242 WeakPolarHBondContact O-CB 3.48Å; Q1238-D1242 PolarHBondContact O-N 3.36Å
1239	L	96.8	Very high	93.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-36.6	177.4	-71.1	179.3	0	0	0	112.7	L1132 F1135 M1136 L1139 L1231 D1235 F1236 G1243 M1311 I1315	L1132-L1239 HydrophobicContact CD1-CD1 3.91Å; L1132-L1239 HydrophobicContact CD1-CD2 4.29Å; L1132-L1239 HydrophobicContact CD1-CG 4.15Å; F1135-L1239 HydrophobicContact CB-CD1 4.34Å; F1135-L1239 HydrophobicContact CB-CD2 3.78Å; M1136-L1239 HydrophobicContact CG-CD2 3.78Å; L1139-L1239 HydrophobicContact CD1-CD2 3.92Å; L1139-L1239 WeakPolarHBondContact CD1-O 3.5Å; L1231-L1239 HydrophobicContact CD1-CD1 4.08Å; L1231-L1239 HydrophobicContact CD2-CD1 4.25Å; D1235-L1239 WeakPolarHBondContact O-CB 3.43Å; D1235-L1239 WeakPolarHBondContact O-CG 3.04Å; D1235-L1239 PolarHBondContact O-N 3.46Å; F1236-L1239 PolarHBondContact O-N 3.14Å; L1239-G1243 PolarHBondContact O-N 2.67Å; L1239-M1311 HydrophobicContact CB-CE 4.23Å; L1239-M1311 HydrophobicContact CD1-CE 4.21Å; L1239-I1315 HydrophobicContact CB-CD1 4.26Å; L1239-I1315 HydrophobicContact CD1-CD1 4.35Å; L1239-I1315 HydrophobicContact CD2-CD1 4.42Å
1240	A	96.2	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-45.2	176.2	0	0	0	0	0	111.7	L1222 F1236 C1237 Q1238 G1243 G1244 A1245 V1248	L1222-A1240 HydrophobicContact CD1-CB 3.99Å; F1236-A1240 VanDerWaalsContact O-CB 3.26Å; F1236-A1240 WeakPolarHBondContact O-CB 3.45Å; F1236-A1240 PolarHBondContact O-N 2.84Å; C1237-A1240 PolarHBondContact O-N 2.94Å; Q1238-A1240 VanDerWaalsContact C-N 3.33Å; Q1238-A1240 PolarHBondContact O-N 3.25Å; A1240-G1243 CarbonylContact O-C 3.55Å; A1240-G1243 PolarHBondContact O-N 3.4Å; A1240-G1244 PolarHBondContact O-N 2.96Å; A1240-A1245 HydrophobicContact CB-CB 4.24Å; A1240-A1245 WeakPolarHBondContact O-CB 3.38Å; A1240-A1245 PolarHBondContact O-N 2.91Å; A1240-V1248 HydrophobicContact CB-CB 4.43Å; A1240-V1248 HydrophobicContact CB-CG1 3.93Å; A1240-V1248 HydrophobicContact CB-CG2 3.55Å
1241	L	94.9	Very high	94.1	Very high	96 Å²	96	43.6 Å²	43.6	50%	0.503	23%	0.234	S	C	.	.	H	α-helix	trans	-67.1	-47.5	176.7	-70	171	0	0	0	112.1	C1237 Q1238 G1243 G1244 V1248	C1237-L1241 WeakPolarHBondContact O-CB 3.33Å; C1237-L1241 VanDerWaalsContact O-CG 3.26Å; C1237-L1241 WeakPolarHBondContact O-CG 3.46Å; C1237-L1241 PolarHBondContact O-N 2.99Å; Q1238-L1241 PolarHBondContact O-N 3.49Å; L1241-G1243 PolarHBondContact O-N 3.31Å; L1241-G1244 WeakPolarHBondContact O-CA 3.45Å; L1241-G1244 PolarHBondContact O-N 2.98Å; L1241-V1248 HydrophobicContact CD2-CG2 3.87Å; L1241-V1248 HydrophobicContact CG-CG2 3.96Å
1242	D	94.5	Very high	94.1	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.123	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-26.7	176	-74.2	-1.9	0	0	0	111.6	L1139 N1140 R1215 Q1238 G1244	L1139-D1242 HydrophobicContact CB-CB 3.9Å; L1139-D1242 HydrophobicContact CD1-CB 3.89Å; N1140-D1242 PolarHBondContact ND2-OD2 2.9Å; R1215-D1242 WeakPolarHBondContact CD-O 3.39Å; R1215-D1242 PolarHBondContact NH1-O 3.41Å; Q1238-D1242 VanDerWaalsContact NE2-CG 3.34Å; Q1238-D1242 PolarHBondContact NE2-OD1 3.49Å; Q1238-D1242 PolarHBondContact NE2-OD2 2.83Å; Q1238-D1242 VanDerWaalsContact O-CB 3.27Å; Q1238-D1242 WeakPolarHBondContact O-CB 3.48Å; Q1238-D1242 PolarHBondContact O-N 3.36Å; D1242-G1244 VanDerWaalsContact C-N 3.27Å; D1242-G1244 PolarHBondContact O-N 3.19Å
1243	G	94.7	Very high	94	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	0.8	170.5	0	0	0	0	0	114.7	R1215 F1217 L1239 A1240 L1241	R1215-G1243 CarbonylContact C-O 3.6Å; R1215-G1243 WeakPolarHBondContact CB-O 3.41Å; F1217-G1243 WeakPolarHBondContact CA-O 3.39Å; F1217-G1243 WeakPolarHBondContact CB-O 3.48Å; F1217-G1243 PolarHBondContact N-O 2.92Å; L1239-G1243 PolarHBondContact O-N 2.67Å; A1240-G1243 CarbonylContact O-C 3.55Å; A1240-G1243 PolarHBondContact O-N 3.4Å; L1241-G1243 PolarHBondContact O-N 3.31Å
1244	G	93.9	Very high	94	Very high	23 Å²	23	43 Å²	43	24%	0.237	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	20.8	174.9	0	0	0	0	0	115.5	F1217 S1218 A1240 L1241 D1242 T1246	F1217-G1244 CarbonylContact C-O 3.52Å; S1218-G1244 VanDerWaalsContact CA-O 3.26Å; S1218-G1244 WeakPolarHBondContact CA-O 3.46Å; S1218-G1244 PolarHBondContact N-O 2.89Å; A1240-G1244 PolarHBondContact O-N 2.96Å; L1241-G1244 WeakPolarHBondContact O-CA 3.45Å; L1241-G1244 PolarHBondContact O-N 2.98Å; D1242-G1244 VanDerWaalsContact C-N 3.27Å; D1242-G1244 PolarHBondContact O-N 3.19Å; G1244-T1246 PolarHBondContact O-N 2.94Å
1245	A	94.4	Very high	93.9	Very high	9 Å²	9	40 Å²	40	7%	0.074	21%	0.209	C	C	.	.			trans	-58.5	134.3	174.9	0	0	0	0	0	111	F1217 L1222 A1240 V1248	F1217-A1245 HydrophobicContact CB-CB 3.99Å; L1222-A1245 HydrophobicContact CD1-CB 4.12Å; L1222-A1245 HydrophobicContact CG-CB 4.21Å; A1240-A1245 HydrophobicContact CB-CB 4.24Å; A1240-A1245 WeakPolarHBondContact O-CB 3.38Å; A1240-A1245 PolarHBondContact O-N 2.91Å; A1245-V1248 HydrophobicContact CB-CG2 3.84Å
1246	T	91.7	Very high	93.4	Very high	86 Å²	86	41.7 Å²	41.7	53%	0.528	22%	0.218	S	C	.	.	S	Bend	trans	-73.4	-30.2	-176.2	-57.5	0	0	0	0	112.3	E1219 L1220 G1244	E1219-T1246 VanDerWaalsContact CA-OG1 3.31Å; E1219-T1246 WeakPolarHBondContact CA-OG1 3.32Å; E1219-T1246 PolarHBondContact N-OG1 3.35Å; L1220-T1246 PolarHBondContact O-N 3.44Å; G1244-T1246 PolarHBondContact O-N 2.94Å
1247	R	92.9	Very high	93	Very high	121 Å²	121	45.8 Å²	45.8	46%	0.457	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	151.5	165	-68	-165.5	175	-175	-3.5	109.7	W1221 L1222 F1249	W1221-R1247 WeakPolarHBondContact CA-O 3.22Å; W1221-R1247 HydrophobicContact CD2-CB 4.07Å; W1221-R1247 HydrophobicContact CD2-CG 4.33Å; W1221-R1247 HydrophobicContact CG-CB 3.95Å; W1221-R1247 HydrophobicContact CZ2-CG 4.36Å; L1222-R1247 PolarHBondContact N-O 3.07Å; R1247-F1249 HydrophobicContact CB-CE2 3.63Å; R1247-F1249 HydrophobicContact CB-CZ 3.83Å; R1247-F1249 HydrophobicContact CG-CZ 4.46Å
1248	V	95.2	Very high	92.7	Very high	31 Å²	31	45.2 Å²	45.2	19%	0.188	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143.7	172.9	-166.4	0	0	0	0	108.9	L1222 F1236 C1237 A1240 L1241 A1245	L1222-V1248 CarbonylContact O-C 3.58Å; L1222-V1248 VanDerWaalsContact O-CA 3.26Å; L1222-V1248 WeakPolarHBondContact O-CA 3.14Å; F1236-V1248 HydrophobicContact CD1-CG1 4.29Å; F1236-V1248 HydrophobicContact CE1-CG1 3.68Å; F1236-V1248 HydrophobicContact CZ-CG1 4.47Å; C1237-V1248 HydrophobicContact CB-CG1 4.45Å; A1240-V1248 HydrophobicContact CB-CB 4.43Å; A1240-V1248 HydrophobicContact CB-CG1 3.93Å; A1240-V1248 HydrophobicContact CB-CG2 3.55Å; L1241-V1248 HydrophobicContact CD2-CG2 3.87Å; L1241-V1248 HydrophobicContact CG-CG2 3.96Å; A1245-V1248 HydrophobicContact CB-CG2 3.84Å
1249	F	95.5	Very high	92.3	Very high	20 Å²	20	43.3 Å²	43.3	9%	0.088	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.7	-177.9	-57.8	-85.2	0	0	0	110.1	W1221 L1222 C1223 A1224 R1247 E1254 L1255 A1258	W1221-F1249 HydrophobicContact CB-CE2 4.15Å; W1221-F1249 HydrophobicContact CD2-CE2 4.01Å; W1221-F1249 HydrophobicContact CD2-CZ 4.33Å; W1221-F1249 AromaticContact CE3-CE2 3.6Å; W1221-F1249 HydrophobicContact CE3-CE2 3.6Å; W1221-F1249 AromaticContact CE3-CZ 3.72Å; W1221-F1249 HydrophobicContact CE3-CZ 3.72Å; W1221-F1249 HydrophobicContact CG-CE2 4.27Å; W1221-F1249 HydrophobicContact CZ3-CE2 4.35Å; W1221-F1249 AromaticContact CZ3-CZ 4Å; W1221-F1249 HydrophobicContact CZ3-CZ 4Å; L1222-F1249 PolarHBondContact O-N 3.06Å; C1223-F1249 WeakPolarHBondContact CA-O 3.35Å; C1223-F1249 HydrophobicContact CB-CB 4.14Å; A1224-F1249 PolarHBondContact N-O 3.12Å; R1247-F1249 HydrophobicContact CB-CE2 3.63Å; R1247-F1249 HydrophobicContact CB-CZ 3.83Å; R1247-F1249 HydrophobicContact CG-CZ 4.46Å; F1249-E1254 HydrophobicContact CD1-CB 3.91Å; F1249-E1254 WeakPolarHBondContact CE1-O 3.44Å; F1249-L1255 HydrophobicContact CB-CB 4.21Å; F1249-L1255 HydrophobicContact CD1-CB 4.16Å; F1249-L1255 HydrophobicContact CD2-CB 3.89Å; F1249-L1255 HydrophobicContact CD2-CD1 3.78Å; F1249-L1255 HydrophobicContact CD2-CG 4.04Å; F1249-L1255 HydrophobicContact CE2-CB 4.26Å; F1249-L1255 HydrophobicContact CE2-CD1 4.11Å; F1249-L1255 HydrophobicContact CE2-CG 4.12Å; F1249-L1255 HydrophobicContact CG-CB 3.81Å; F1249-L1255 HydrophobicContact CG-CD1 4.47Å; F1249-L1255 HydrophobicContact CG-CG 4.48Å; F1249-A1258 HydrophobicContact CE1-CB 3.5Å; F1249-A1258 HydrophobicContact CZ-CB 3.58Å
1250	E	93.8	Very high	91.6	Very high	102 Å²	102	46.6 Å²	46.6	48%	0.477	25%	0.247	S	C	.	.	S	Bend	trans	-85	-28.5	176.8	-61.6	-179.3	176.6	0	0	111.4	V1233 E1254	V1233-E1250 HydrophobicContact CG1-CB 4.12Å; V1233-E1250 HydrophobicContact CG1-CG 3.88Å; E1250-E1254 PolarHBondContact N-OE2 3.4Å
1251	K	92.1	Very high	91.1	Very high	93 Å²	93	52.3 Å²	52.3	40%	0.404	27%	0.272	S	S	.	.	S	Bend	trans	-136.7	138.4	-173.3	-55	170.3	-152.6	64.3	0	110.7	C1223 S1253 E1254 L1255	C1223-K1251 VanDerWaalsContact SG-C 3.51Å; K1251-S1253 PolarHBondContact O-N 3.36Å; K1251-E1254 HydrophobicContact CB-CG 4.24Å; K1251-E1254 VanDerWaalsContact CD-OE1 3.3Å; K1251-E1254 WeakPolarHBondContact CD-OE1 3.42Å; K1251-E1254 PolarHBondContact N-OE2 3.09Å; K1251-E1254 VanDerWaalsContact N-OE2 3.08Å; K1251-E1254 IonicContact NZ-OE1 3.28Å; K1251-E1254 PolarHBondContact NZ-OE1 3.1Å; K1251-E1254 WeakPolarHBondContact O-CB 3.41Å; K1251-E1254 PolarHBondContact O-N 3.45Å; K1251-L1255 PolarHBondContact O-N 2.87Å
1252	P	91.9	Very high	90.4	Very high	12 Å²	12	50.6 Å²	50.6	8%	0.078	26%	0.263	C	S	.	.	H	α-helix	trans	-56.7	-25.8	179	-30.3	37.2	0	0	0	115.6	Y1225 L1255 M1256 I1280 L1297 Y1301	Y1225-P1252 HydrophobicContact CD2-CG 3.79Å; P1252-L1255 PolarHBondContact O-N 3.36Å; P1252-M1256 PolarHBondContact O-N 3.41Å; P1252-M1256 VanDerWaalsContact O-N 3.11Å; P1252-I1280 HydrophobicContact CB-CD1 4.4Å; P1252-I1280 HydrophobicContact CG-CD1 4.42Å; P1252-L1297 HydrophobicContact CG-CD2 4.35Å; P1252-Y1301 HydrophobicContact CB-CD2 3.85Å; P1252-Y1301 HydrophobicContact CB-CE2 3.29Å; P1252-Y1301 HydrophobicContact CG-CE2 4.33Å
1253	S	90.4	Very high	89.4	Confident	62 Å²	62	54 Å²	54	43%	0.434	29%	0.285	S	S	.	.	H	α-helix	trans	-62.1	-40.8	172.7	50.8	0	0	0	0	112.9	K1251 L1255 M1256 D1257	K1251-S1253 PolarHBondContact O-N 3.36Å; S1253-L1255 VanDerWaalsContact C-N 3.32Å; S1253-L1255 PolarHBondContact O-N 3.36Å; S1253-M1256 PolarHBondContact O-N 2.85Å; S1253-D1257 PolarHBondContact O-N 3.19Å
1254	E	92	Very high	88.5	Confident	62 Å²	62	60.4 Å²	60.4	29%	0.29	32%	0.315	S	S	.	.	H	α-helix	trans	-68.3	-35.5	179.9	-60.8	156.8	-175	0	0	110.9	F1249 E1250 K1251 D1257 A1258	F1249-E1254 HydrophobicContact CD1-CB 3.91Å; F1249-E1254 WeakPolarHBondContact CE1-O 3.44Å; E1250-E1254 PolarHBondContact N-OE2 3.4Å; K1251-E1254 HydrophobicContact CB-CG 4.24Å; K1251-E1254 VanDerWaalsContact CD-OE1 3.3Å; K1251-E1254 WeakPolarHBondContact CD-OE1 3.42Å; K1251-E1254 PolarHBondContact N-OE2 3.09Å; K1251-E1254 VanDerWaalsContact N-OE2 3.08Å; K1251-E1254 IonicContact NZ-OE1 3.28Å; K1251-E1254 PolarHBondContact NZ-OE1 3.1Å; K1251-E1254 WeakPolarHBondContact O-CB 3.41Å; K1251-E1254 PolarHBondContact O-N 3.45Å; E1254-D1257 PolarHBondContact O-N 3.04Å; E1254-A1258 WeakPolarHBondContact O-CB 3.5Å; E1254-A1258 PolarHBondContact O-N 2.82Å
1255	L	90.4	Very high	87.3	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-40.5	173.3	-178.2	146.1	0	0	0	111.6	C1223 F1249 K1251 P1252 S1253 A1258 T1259 A1278 V1303	C1223-L1255 HydrophobicContact CB-CD1 3.69Å; F1249-L1255 HydrophobicContact CB-CB 4.21Å; F1249-L1255 HydrophobicContact CD1-CB 4.16Å; F1249-L1255 HydrophobicContact CD2-CB 3.89Å; F1249-L1255 HydrophobicContact CD2-CD1 3.78Å; F1249-L1255 HydrophobicContact CD2-CG 4.04Å; F1249-L1255 HydrophobicContact CE2-CB 4.26Å; F1249-L1255 HydrophobicContact CE2-CD1 4.11Å; F1249-L1255 HydrophobicContact CE2-CG 4.12Å; F1249-L1255 HydrophobicContact CG-CB 3.81Å; F1249-L1255 HydrophobicContact CG-CD1 4.47Å; F1249-L1255 HydrophobicContact CG-CG 4.48Å; K1251-L1255 PolarHBondContact O-N 2.87Å; P1252-L1255 PolarHBondContact O-N 3.36Å; S1253-L1255 VanDerWaalsContact C-N 3.32Å; S1253-L1255 PolarHBondContact O-N 3.36Å; L1255-A1258 PolarHBondContact O-N 2.83Å; L1255-T1259 WeakPolarHBondContact O-CB 3.48Å; L1255-T1259 PolarHBondContact O-N 3.25Å; L1255-T1259 PolarHBondContact O-OG1 3.49Å; L1255-A1278 HydrophobicContact CD1-CB 4.09Å; L1255-A1278 HydrophobicContact CD2-CB 4.47Å; L1255-V1303 HydrophobicContact CD2-CG2 4Å
1256	M	84.5	Confident	85.6	Confident	43 Å²	43	66.4 Å²	66.4	21%	0.212	35%	0.345	C	S	.	.	H	α-helix	trans	-68.2	-44.5	174.4	-72.5	-54.3	-65.2	0	0	112.3	P1252 S1253 A1258 T1259 N1260 Y1301	P1252-M1256 PolarHBondContact O-N 3.41Å; P1252-M1256 VanDerWaalsContact O-N 3.11Å; S1253-M1256 PolarHBondContact O-N 2.85Å; M1256-A1258 VanDerWaalsContact C-N 3.25Å; M1256-A1258 PolarHBondContact O-N 3.07Å; M1256-T1259 CarbonylContact O-C 3.54Å; M1256-T1259 PolarHBondContact O-N 3.42Å; M1256-N1260 WeakPolarHBondContact O-CB 3.39Å; M1256-N1260 PolarHBondContact O-N 2.93Å; M1256-N1260 PolarHBondContact O-ND2 3.14Å; M1256-Y1301 HydrophobicContact CB-CE1 4.47Å; M1256-Y1301 HydrophobicContact CE-CD1 4.34Å; M1256-Y1301 HydrophobicContact CG-CD1 3.17Å; M1256-Y1301 HydrophobicContact CG-CE1 3.39Å; M1256-Y1301 HydrophobicContact CG-CG 4.02Å; M1256-Y1301 HydrophobicContact SD-CD1 3.59Å; M1256-Y1301 VanDerWaalsContact SD-CD1 3.59Å; M1256-Y1301 HydrophobicContact SD-CE1 4.41Å; M1256-Y1301 HydrophobicContact SD-CG 4.13Å
1257	D	88.7	Confident	83.9	Confident	85 Å²	85	65.7 Å²	65.7	46%	0.455	36%	0.355	S	S	.	.	H	α-helix	trans	-55.5	-42.3	174.5	-85.9	5.9	0	0	0	111.8	S1253 E1254 K1261	S1253-D1257 PolarHBondContact O-N 3.19Å; E1254-D1257 PolarHBondContact O-N 3.04Å; D1257-K1261 WeakPolarHBondContact O-CB 3.49Å; D1257-K1261 VanDerWaalsContact O-CD 3.25Å; D1257-K1261 WeakPolarHBondContact O-CD 3.41Å; D1257-K1261 WeakPolarHBondContact O-CG 3.35Å; D1257-K1261 PolarHBondContact O-N 3.3Å; D1257-K1261 IonicContact OD2-NZ 2.79Å
1258	A	88.5	Confident	82	Confident	12 Å²	12	65.4 Å²	65.4	10%	0.099	37%	0.372	C	S	.	.	H	α-helix	trans	-68.2	-34	175.5	0	0	0	0	0	113.3	W1221 F1249 E1254 L1255 M1256 L1262	W1221-A1258 HydrophobicContact CH2-CB 4.33Å; W1221-A1258 HydrophobicContact CZ3-CB 3.93Å; F1249-A1258 HydrophobicContact CE1-CB 3.5Å; F1249-A1258 HydrophobicContact CZ-CB 3.58Å; E1254-A1258 WeakPolarHBondContact O-CB 3.5Å; E1254-A1258 PolarHBondContact O-N 2.82Å; L1255-A1258 PolarHBondContact O-N 2.83Å; M1256-A1258 VanDerWaalsContact C-N 3.25Å; M1256-A1258 PolarHBondContact O-N 3.07Å; A1258-L1262 WeakPolarHBondContact O-CB 3.38Å; A1258-L1262 PolarHBondContact O-N 2.98Å; A1258-L1262 VanDerWaalsContact O-N 3.09Å
1259	T	84.5	Confident	79.9	Confident	29 Å²	29	71.7 Å²	71.7	18%	0.178	40%	0.396	C	S	.	.	H	α-helix	trans	-74.8	-38.2	178.2	-56.7	0	0	0	0	111.8	L1255 M1256 L1262 T1263	L1255-T1259 WeakPolarHBondContact O-CB 3.48Å; L1255-T1259 PolarHBondContact O-N 3.25Å; L1255-T1259 PolarHBondContact O-OG1 3.49Å; M1256-T1259 CarbonylContact O-C 3.54Å; M1256-T1259 PolarHBondContact O-N 3.42Å; T1259-L1262 PolarHBondContact O-N 3.23Å; T1259-T1263 PolarHBondContact O-N 3.21Å; T1259-T1263 PolarHBondContact O-OG1 3.31Å
1260	N	83.3	Confident	77.5	Confident	69 Å²	69	75.3 Å²	75.3	37%	0.369	44%	0.44	S	S	.	.	H	α-helix	trans	-65.6	-50.9	174.1	-67.5	-15.3	0	0	0	110.3	M1256 L1262 T1263 E1264	M1256-N1260 WeakPolarHBondContact O-CB 3.39Å; M1256-N1260 PolarHBondContact O-N 2.93Å; M1256-N1260 PolarHBondContact O-ND2 3.14Å; N1260-L1262 VanDerWaalsContact C-N 3.27Å; N1260-L1262 PolarHBondContact O-N 3.41Å; N1260-T1263 CarbonylContact O-C 3.53Å; N1260-T1263 WeakPolarHBondContact O-CA 3.39Å; N1260-T1263 WeakPolarHBondContact O-CB 3.36Å; N1260-T1263 PolarHBondContact O-N 2.77Å; N1260-E1264 WeakPolarHBondContact O-CG 3.33Å; N1260-E1264 PolarHBondContact O-N 2.92Å
1261	K	85.3	Confident	75.3	Confident	120 Å²	120	74.6 Å²	74.6	52%	0.522	44%	0.442	S	S	.	.	H	α-helix	trans	-58.1	-36.8	175.5	-70.6	161.5	-169.4	159.8	0	112.5	D1257 S1265	D1257-K1261 WeakPolarHBondContact O-CB 3.49Å; D1257-K1261 VanDerWaalsContact O-CD 3.25Å; D1257-K1261 WeakPolarHBondContact O-CD 3.41Å; D1257-K1261 WeakPolarHBondContact O-CG 3.35Å; D1257-K1261 PolarHBondContact O-N 3.3Å; D1257-K1261 IonicContact OD2-NZ 2.79Å; K1261-S1265 VanDerWaalsContact O-CB 3.3Å; K1261-S1265 WeakPolarHBondContact O-CB 3.44Å; K1261-S1265 PolarHBondContact O-N 2.89Å; K1261-S1265 PolarHBondContact O-OG 3.23Å
1262	L	80	Confident	73.2	Confident	59 Å²	59	78.7 Å²	78.7	31%	0.309	47%	0.469	S	S	.	.	H	α-helix	trans	-66	-39.3	173	-177.1	63.6	0	0	0	111.9	W1221 A1258 T1259 N1260 S1265 M1266 P1276	W1221-L1262 HydrophobicContact CH2-CD2 4Å; W1221-L1262 HydrophobicContact CZ2-CD2 4.25Å; A1258-L1262 WeakPolarHBondContact O-CB 3.38Å; A1258-L1262 PolarHBondContact O-N 2.98Å; A1258-L1262 VanDerWaalsContact O-N 3.09Å; T1259-L1262 PolarHBondContact O-N 3.23Å; N1260-L1262 VanDerWaalsContact C-N 3.27Å; N1260-L1262 PolarHBondContact O-N 3.41Å; L1262-S1265 PolarHBondContact O-OG 3.22Å; L1262-S1265 VanDerWaalsContact O-OG 3.14Å; L1262-M1266 VanDerWaalsContact O-CG 3.25Å; L1262-M1266 WeakPolarHBondContact O-CG 3.46Å; L1262-M1266 PolarHBondContact O-N 2.88Å; L1262-P1276 HydrophobicContact CD2-CG 4.24Å
1263	T	74.3	Confident	71.2	Confident	95 Å²	95	81.6 Å²	81.6	58%	0.583	49%	0.486	S	S	*	.	H	α-helix	trans	-69.3	-46	177.7	-53.3	0	0	0	0	111.5	T1259 N1260 M1266 G1267	T1259-T1263 PolarHBondContact O-N 3.21Å; T1259-T1263 PolarHBondContact O-OG1 3.31Å; N1260-T1263 CarbonylContact O-C 3.53Å; N1260-T1263 WeakPolarHBondContact O-CA 3.39Å; N1260-T1263 WeakPolarHBondContact O-CB 3.36Å; N1260-T1263 PolarHBondContact O-N 2.77Å; T1263-M1266 PolarHBondContact O-N 3.11Å; T1263-G1267 PolarHBondContact O-N 3.41Å
1264	E	75.6	Confident	69.7	Low	134 Å²	134	85.2 Å²	85.2	63%	0.626	49%	0.49	S	S	*	.	H	α-helix	trans	-59.8	-50.2	177.6	-70.9	160.7	-169.2	0	0	111.9	N1260 M1266 G1267	N1260-E1264 WeakPolarHBondContact O-CG 3.33Å; N1260-E1264 PolarHBondContact O-N 2.92Å; E1264-M1266 PolarHBondContact O-N 2.63Å; E1264-M1266 VanDerWaalsContact O-N 3.17Å; E1264-G1267 PolarHBondContact O-N 3.07Å; E1264-G1267 VanDerWaalsContact O-N 3.15Å
1265	S	67.7	Low	68.6	Low	82 Å²	82	87.3 Å²	87.3	57%	0.573	50%	0.498	S	S	*	.	H	α-helix	trans	-63.4	-22.1	-178.3	62	0	0	0	0	114.2	K1261 L1262	K1261-S1265 VanDerWaalsContact O-CB 3.3Å; K1261-S1265 WeakPolarHBondContact O-CB 3.44Å; K1261-S1265 PolarHBondContact O-N 2.89Å; K1261-S1265 PolarHBondContact O-OG 3.23Å; L1262-S1265 PolarHBondContact O-OG 3.22Å; L1262-S1265 VanDerWaalsContact O-OG 3.14Å
1266	M	58.6	Low	67.8	Low	77 Å²	77	88.7 Å²	88.7	38%	0.379	51%	0.507	S	S	.	.	H	α-helix	trans	-96.4	-14.2	178.4	-60.8	-59.9	-74.9	0	0	113.4	L1262 T1263 E1264 S1268 K1269 V1273	L1262-M1266 VanDerWaalsContact O-CG 3.25Å; L1262-M1266 WeakPolarHBondContact O-CG 3.46Å; L1262-M1266 PolarHBondContact O-N 2.88Å; T1263-M1266 PolarHBondContact O-N 3.11Å; E1264-M1266 PolarHBondContact O-N 2.63Å; E1264-M1266 VanDerWaalsContact O-N 3.17Å; M1266-S1268 PolarHBondContact O-N 3.34Å; M1266-K1269 PolarHBondContact O-N 2.81Å; M1266-V1273 HydrophobicContact CB-CG2 4.48Å; M1266-V1273 HydrophobicContact CE-CG2 3.5Å; M1266-V1273 HydrophobicContact CG-CG2 4.44Å
1267	G	56	Low	67.9	Low	71 Å²	71	89.3 Å²	89.3	73%	0.732	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-10.5	-176	0	0	0	0	0	116	T1263 E1264	T1263-G1267 PolarHBondContact O-N 3.41Å; E1264-G1267 PolarHBondContact O-N 3.07Å; E1264-G1267 VanDerWaalsContact O-N 3.15Å
1268	S	52.8	Low	68	Low	115 Å²	115	85.9 Å²	85.9	80%	0.804	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-2.6	177	-60.2	0	0	0	0	114.6	M1266	M1266-S1268 PolarHBondContact O-N 3.34Å
1269	K	51	Low	68.2	Low	162 Å²	162	85.3 Å²	85.3	70%	0.704	49%	0.485	S	S	*	.	S	Bend	trans	-139.5	108.9	-179.9	-69	-178.5	-179.5	173.6	0	111	M1266 T1271	M1266-K1269 PolarHBondContact O-N 2.81Å; K1269-T1271 VanDerWaalsContact C-N 3.25Å; K1269-T1271 PolarHBondContact O-N 3.5Å
1270	G	46	Very low	68.7	Low	97 Å²	97	84 Å²	84	100%	1	48%	0.477	S	S	*	.			trans	-72.1	64.1	-173.9	0	0	0	0	0	115.3
1271	T	47.1	Very low	69.3	Low	86 Å²	86	80.7 Å²	80.7	53%	0.528	46%	0.46	S	S	.	.			trans	-108.9	142.9	168.6	51.8	0	0	0	0	110.1	K1269 V1273	K1269-T1271 VanDerWaalsContact C-N 3.25Å; K1269-T1271 PolarHBondContact O-N 3.5Å; T1271-V1273 PolarHBondContact O-N 2.65Å; T1271-V1273 VanDerWaalsContact O-N 3.08Å
1272	D	48	Very low	69.8	Low	180 Å²	180	75.1 Å²	75.1	96%	0.963	44%	0.436	S	S	*	.			trans	-61.2	109.8	171.7	-94.9	-42.7	0	0	0	110.8
1273	V	50.8	Low	70.4	Confident	72 Å²	72	73.4 Å²	73.4	44%	0.436	43%	0.427	S	S	.	.			trans	-108.7	112.6	177	177.9	0	0	0	0	108.7	M1266 T1271	M1266-V1273 HydrophobicContact CB-CG2 4.48Å; M1266-V1273 HydrophobicContact CE-CG2 3.5Å; M1266-V1273 HydrophobicContact CG-CG2 4.44Å; T1271-V1273 PolarHBondContact O-N 2.65Å; T1271-V1273 VanDerWaalsContact O-N 3.08Å
1274	R	59.1	Low	71.1	Confident	139 Å²	139	73 Å²	73	53%	0.525	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-57.7	137.2	170.7	-76.5	175.8	161.5	148.8	-3.2	110.5	D716	D716-R1274 VanDerWaalsContact CG-NE 3.3Å; D716-R1274 WeakPolarHBondContact OD1-CD 3.31Å; D716-R1274 IonicContact OD1-CZ 2.74Å; D716-R1274 IonicContact OD1-NE 3.32Å; D716-R1274 PolarHBondContact OD1-NE 2.88Å; D716-R1274 IonicContact OD1-NH2 2.68Å; D716-R1274 IonicContact OD2-CZ 3.64Å; D716-R1274 VanDerWaalsContact OD2-CZ 3.25Å; D716-R1274 IonicContact OD2-NE 2.65Å; D716-R1274 PolarHBondContact OD2-NE 3.21Å; D716-R1274 IonicContact OD2-NH2 2.72Å; D716-R1274 PolarHBondContact OD2-NH2 3.18Å
1275	K	67.8	Low	71.7	Confident	106 Å²	106	72.4 Å²	72.4	46%	0.461	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-57.4	146.1	168.4	-66.2	168.2	-173	147.9	0	110.1	D720	D720-K1275 IonicContact OD1-NZ 2.74Å; D720-K1275 PolarHBondContact OD1-NZ 2.97Å
1276	P	75	Confident	72.6	Confident	29 Å²	29	69.4 Å²	69.4	19%	0.188	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-62.1	143.9	174.2	26.6	-33.7	0	0	0	110.9	W1221 L1262 A1278	W1221-P1276 HydrophobicContact CD2-CB 3.66Å; W1221-P1276 HydrophobicContact CD2-CG 4.21Å; W1221-P1276 HydrophobicContact CE3-CB 3.92Å; W1221-P1276 HydrophobicContact CE3-CG 3.93Å; W1221-P1276 HydrophobicContact CG-CB 4.16Å; W1221-P1276 HydrophobicContact CH2-CB 4.12Å; W1221-P1276 HydrophobicContact CH2-CG 4.01Å; W1221-P1276 HydrophobicContact CZ2-CB 3.86Å; W1221-P1276 HydrophobicContact CZ2-CG 4.27Å; W1221-P1276 HydrophobicContact CZ3-CB 4.14Å; W1221-P1276 HydrophobicContact CZ3-CG 3.83Å; L1262-P1276 HydrophobicContact CD2-CG 4.24Å; P1276-A1278 VanDerWaalsContact C-N 3.28Å; P1276-A1278 PolarHBondContact O-N 3.39Å
1277	R	86.5	Confident	73.8	Confident	57 Å²	57	71.8 Å²	71.8	22%	0.215	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	78.3	178.4	-65.7	172.6	67.9	174.4	8.9	110.2	F714 E1219 L1220 W1221	F714-R1277 HydrophobicContact CD1-CB 4.47Å; F714-R1277 HydrophobicContact CD1-CG 4.36Å; F714-R1277 HydrophobicContact CE1-CB 4.38Å; E1219-R1277 IonicContact OE2-NH1 3.75Å; E1219-R1277 PolarHBondContact OE2-NH1 3.4Å; L1220-R1277 WeakPolarHBondContact CA-O 3.38Å; L1220-R1277 HydrophobicContact CD2-CB 3.58Å; W1221-R1277 PolarHBondContact N-O 3.08Å
1278	A	90.7	Very high	75.2	Confident	12 Å²	12	73.8 Å²	73.8	10%	0.099	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	147.2	-178.7	0	0	0	0	0	113.4	W1221 L1255 P1276 V1303	W1221-A1278 HydrophobicContact CB-CB 4.31Å; W1221-A1278 CarbonylContact O-C 3.56Å; W1221-A1278 WeakPolarHBondContact O-CA 3.01Å; L1255-A1278 HydrophobicContact CD1-CB 4.09Å; L1255-A1278 HydrophobicContact CD2-CB 4.47Å; P1276-A1278 VanDerWaalsContact C-N 3.28Å; P1276-A1278 PolarHBondContact O-N 3.39Å; A1278-V1303 HydrophobicContact CB-CG1 3.67Å; A1278-V1303 HydrophobicContact CB-CG2 4Å
1279	V	93	Very high	76.9	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	136.2	171.8	-178.6	0	0	0	0	109.4	F714 W1221 L1222 C1223 L1281 I1306 I1323	F714-V1279 HydrophobicContact CZ-CG2 4.34Å; W1221-V1279 PolarHBondContact O-N 3.47Å; L1222-V1279 HydrophobicContact CD2-CB 4.18Å; C1223-V1279 PolarHBondContact N-O 3.33Å; V1279-L1281 HydrophobicContact CG1-CD2 4.32Å; V1279-L1281 HydrophobicContact CG1-CG 4.35Å; V1279-I1306 HydrophobicContact CG1-CD1 3.6Å; V1279-I1306 HydrophobicContact CG1-CG1 3.67Å; V1279-I1306 HydrophobicContact CG1-CG2 4.42Å; V1279-I1323 HydrophobicContact CG2-CD1 4.34Å
1280	I	95.1	Very high	78.7	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.2	170.2	-62.7	166.6	0	0	0	108.7	C1223 Y1225 P1252 Y1301 V1303 P1304 V1305 I1306	C1223-I1280 HydrophobicContact CB-CG1 4.11Å; Y1225-I1280 HydrophobicContact CG-CG2 4.46Å; P1252-I1280 HydrophobicContact CB-CD1 4.4Å; P1252-I1280 HydrophobicContact CG-CD1 4.42Å; I1280-Y1301 HydrophobicContact CD1-CD2 4.3Å; I1280-V1303 HydrophobicContact CD1-CB 4.07Å; I1280-V1303 HydrophobicContact CD1-CG1 4.13Å; I1280-V1303 HydrophobicContact CG1-CB 4.36Å; I1280-V1303 HydrophobicContact CG1-CG1 3.86Å; I1280-P1304 PolarHBondContact N-O 3.05Å; I1280-V1305 HydrophobicContact CB-CG2 4.23Å; I1280-V1305 HydrophobicContact CD1-CG2 4.41Å; I1280-V1305 HydrophobicContact CG2-CG1 4.23Å; I1280-V1305 HydrophobicContact CG2-CG2 4.39Å; I1280-V1305 WeakPolarHBondContact O-CA 3.5Å; I1280-I1306 PolarHBondContact O-N 2.96Å
1281	L	95.5	Very high	80.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.1	-176.8	-68.6	164.7	0	0	0	110	L1222 C1223 A1224 Y1225 F1236 V1279 I1306 W1310 M1311	L1222-L1281 HydrophobicContact CB-CD1 4.41Å; L1222-L1281 HydrophobicContact CD1-CD1 4.34Å; L1222-L1281 HydrophobicContact CD2-CD1 4.18Å; C1223-L1281 PolarHBondContact O-N 2.85Å; A1224-L1281 CarbonylContact C-O 3.46Å; Y1225-L1281 PolarHBondContact N-O 3.24Å; F1236-L1281 HydrophobicContact CE2-CB 4.11Å; F1236-L1281 HydrophobicContact CE2-CD1 3.68Å; F1236-L1281 HydrophobicContact CZ-CD1 4.09Å; V1279-L1281 HydrophobicContact CG1-CD2 4.32Å; V1279-L1281 HydrophobicContact CG1-CG 4.35Å; L1281-I1306 WeakPolarHBondContact CA-O 3.42Å; L1281-I1306 HydrophobicContact CD2-CD1 3.94Å; L1281-I1306 HydrophobicContact CD2-CG1 3.43Å; L1281-I1306 VanDerWaalsContact CD2-CG1 3.43Å; L1281-W1310 HydrophobicContact CD2-CE3 4.23Å; L1281-M1311 HydrophobicContact CD1-CB 4.26Å; L1281-M1311 HydrophobicContact CD1-CG 4.48Å; L1281-M1311 HydrophobicContact CD1-SD 4.14Å
1282	T	94.5	Very high	82.8	Confident	4 Å²	4	68.2 Å²	68.2	3%	0.025	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	155.7	176.6	-177.1	0	0	0	0	108.7	Y1225 F1289 V1305 I1306 S1307 I1308 I1329	Y1225-T1282 PolarHBondContact O-OG1 2.84Å; T1282-F1289 HydrophobicContact CG2-CE2 4.4Å; T1282-V1305 HydrophobicContact CG2-CG1 3.76Å; T1282-I1306 PolarHBondContact N-O 3.12Å; T1282-S1307 CarbonylContact O-C 3.56Å; T1282-S1307 VanDerWaalsContact O-CA 3.32Å; T1282-S1307 WeakPolarHBondContact O-CA 3.44Å; T1282-I1308 PolarHBondContact O-N 2.93Å; T1282-I1329 HydrophobicContact CG2-CD1 3.45Å; T1282-I1329 VanDerWaalsContact CG2-CD1 3.45Å
1283	D	93.3	Very high	84.8	Confident	23 Å²	23	62.4 Å²	62.4	12%	0.123	31%	0.314	C	S	.	.			trans	-69.1	148.7	156.6	-170.5	7.5	0	0	0	109.7	N1227 D1285 S1286 F1289	N1227-D1283 VanDerWaalsContact O-CB 3.31Å; N1227-D1283 WeakPolarHBondContact O-CB 3.39Å; N1227-D1283 PolarHBondContact O-N 2.79Å; D1283-D1285 PolarHBondContact OD1-N 3.18Å; D1283-S1286 WeakPolarHBondContact OD2-CB 3.33Å; D1283-S1286 PolarHBondContact OD2-N 2.76Å; D1283-F1289 VanDerWaalsContact O-CD2 3.31Å; D1283-F1289 WeakPolarHBondContact O-CD2 3.43Å
1284	K	89.7	Confident	86.8	Confident	86 Å²	86	59 Å²	59	37%	0.374	29%	0.293	S	S	.	.	S	Bend	trans	-108.1	-20.8	175.9	65.7	170.7	-167.7	176.9	0	112.2	F1289 I1329	K1284-F1289 WeakPolarHBondContact O-CD1 3.37Å; K1284-I1329 HydrophobicContact CB-CD1 4.01Å
1285	D	87.2	Confident	88.3	Confident	122 Å²	122	56.4 Å²	56.4	65%	0.652	29%	0.287	S	S	*	.	S	Bend	trans	-101.4	-7	-172.4	-57.6	-53.8	0	0	0	111.7	D1283	D1283-D1285 PolarHBondContact OD1-N 3.18Å
1286	S	87.7	Confident	89.3	Confident	18 Å²	18	54.8 Å²	54.8	13%	0.126	28%	0.281	C	S	.	.	S	Bend	trans	-62.1	142.4	170.1	171.6	0	0	0	0	112.9	N1227 D1283 E1288 F1289	N1227-S1286 PolarHBondContact ND2-OG 3.01Å; N1227-S1286 VanDerWaalsContact ND2-OG 3.09Å; D1283-S1286 WeakPolarHBondContact OD2-CB 3.33Å; D1283-S1286 PolarHBondContact OD2-N 2.76Å; S1286-E1288 PolarHBondContact O-N 3.45Å; S1286-E1288 VanDerWaalsContact O-N 3.15Å; S1286-E1288 PolarHBondContact OG-N 2.85Å; S1286-F1289 WeakPolarHBondContact O-CB 3.24Å; S1286-F1289 PolarHBondContact O-N 3.37Å
1287	S	84.1	Confident	90	Very high	127 Å²	127	54.2 Å²	54.2	89%	0.888	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.7	174.4	54.2	0	0	0	0	114.7
1288	E	83.9	Confident	90.2	Very high	114 Å²	114	53 Å²	53	53%	0.533	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	0.1	175.5	-60.1	-179.7	132.7	0	0	113	N1227 S1286	N1227-E1288 PolarHBondContact ND2-OE2 3.48Å; S1286-E1288 PolarHBondContact O-N 3.45Å; S1286-E1288 VanDerWaalsContact O-N 3.15Å; S1286-E1288 PolarHBondContact OG-N 2.85Å
1289	F	88.4	Confident	90	Very high	64 Å²	64	60.4 Å²	60.4	28%	0.281	30%	0.297	S	S	.	.			trans	-69.7	130.2	-178.8	176.7	-104.3	0	0	0	112	T1282 D1283 K1284 S1286 L1291 I1329	T1282-F1289 HydrophobicContact CG2-CE2 4.4Å; D1283-F1289 VanDerWaalsContact O-CD2 3.31Å; D1283-F1289 WeakPolarHBondContact O-CD2 3.43Å; K1284-F1289 WeakPolarHBondContact O-CD1 3.37Å; S1286-F1289 WeakPolarHBondContact O-CB 3.24Å; S1286-F1289 PolarHBondContact O-N 3.37Å; F1289-L1291 HydrophobicContact CE1-CB 4.14Å; F1289-L1291 HydrophobicContact CZ-CB 4.25Å; F1289-L1291 HydrophobicContact CZ-CD1 4.32Å; F1289-I1329 HydrophobicContact CE2-CD1 4.18Å; F1289-I1329 HydrophobicContact CE2-CG2 3.98Å; F1289-I1329 HydrophobicContact CZ-CG2 3.72Å
1290	N	89.5	Confident	89.6	Confident	61 Å²	61	65.1 Å²	65.1	33%	0.326	32%	0.321	S	S	.	.			trans	-134.1	112.8	176.8	-176.5	-16.4	0	0	0	110.8	Q1292 E1293 C1294	N1290-Q1292 VanDerWaalsContact C-N 3.32Å; N1290-Q1292 PolarHBondContact O-N 3.49Å; N1290-Q1292 WeakPolarHBondContact OD1-CB 3.4Å; N1290-Q1292 PolarHBondContact OD1-N 2.82Å; N1290-E1293 HydrophobicContact CB-CB 4.2Å; N1290-E1293 HydrophobicContact CB-CG 4.07Å; N1290-E1293 WeakPolarHBondContact CB-OE2 3.42Å; N1290-E1293 WeakPolarHBondContact ND2-CG 3.19Å; N1290-E1293 PolarHBondContact O-N 3.2Å; N1290-E1293 PolarHBondContact OD1-N 2.91Å; N1290-C1294 PolarHBondContact O-N 3.5Å; N1290-C1294 VanDerWaalsContact O-N 3.12Å; N1290-C1294 PolarHBondContact O-SG 3.45Å
1291	L	89.9	Confident	89	Confident	70 Å²	70	68 Å²	68	37%	0.366	33%	0.332	S	S	.	.	H	α-helix	trans	-64.2	-35	-179.3	-178.7	61.5	0	0	0	112.6	F1289 E1293 C1294 Q1295 I1329	F1289-L1291 HydrophobicContact CE1-CB 4.14Å; F1289-L1291 HydrophobicContact CZ-CB 4.25Å; F1289-L1291 HydrophobicContact CZ-CD1 4.32Å; L1291-E1293 VanDerWaalsContact C-N 3.34Å; L1291-C1294 PolarHBondContact O-N 3.34Å; L1291-Q1295 HydrophobicContact CD1-CG 4.42Å; L1291-Q1295 HydrophobicContact CG-CG 4.45Å; L1291-Q1295 WeakPolarHBondContact O-CB 3.43Å; L1291-Q1295 VanDerWaalsContact O-CG 3.29Å; L1291-Q1295 WeakPolarHBondContact O-CG 3.42Å; L1291-Q1295 PolarHBondContact O-N 3.37Å; L1291-I1329 HydrophobicContact CD1-CG2 3.9Å
1292	Q	89.1	Confident	88.4	Confident	148 Å²	148	69.7 Å²	69.7	69%	0.692	35%	0.35	S	S	*	.	H	α-helix	trans	-67.2	-38	-179.4	-173.5	178.7	-3.7	0	0	111.3	N1290 Q1295 E1296	N1290-Q1292 VanDerWaalsContact C-N 3.32Å; N1290-Q1292 PolarHBondContact O-N 3.49Å; N1290-Q1292 WeakPolarHBondContact OD1-CB 3.4Å; N1290-Q1292 PolarHBondContact OD1-N 2.82Å; Q1292-Q1295 PolarHBondContact O-N 2.83Å; Q1292-E1296 WeakPolarHBondContact O-CB 3.49Å; Q1292-E1296 PolarHBondContact O-N 3.04Å
1293	E	91	Very high	88	Confident	58 Å²	58	70.2 Å²	70.2	27%	0.271	35%	0.353	S	S	.	.	H	α-helix	trans	-67.3	-41.4	172.6	-68.5	172.5	162.2	0	0	111.3	R1226 N1290 L1291 Q1295 E1296 L1297	R1226-E1293 VanDerWaalsContact CZ-CD 3.48Å; R1226-E1293 IonicContact CZ-OE1 3.55Å; R1226-E1293 IonicContact CZ-OE2 3.35Å; R1226-E1293 IonicContact NE-OE2 3.3Å; R1226-E1293 PolarHBondContact NE-OE2 3.19Å; R1226-E1293 IonicContact NH1-OE1 2.82Å; R1226-E1293 IonicContact NH1-OE2 2.86Å; R1226-E1293 PolarHBondContact NH1-OE2 3.31Å; R1226-E1293 IonicContact NH2-OE1 2.8Å; R1226-E1293 PolarHBondContact NH2-OE1 2.83Å; R1226-E1293 IonicContact NH2-OE2 3.5Å; R1226-E1293 PolarHBondContact NH2-OE2 2.68Å; N1290-E1293 HydrophobicContact CB-CB 4.2Å; N1290-E1293 HydrophobicContact CB-CG 4.07Å; N1290-E1293 WeakPolarHBondContact CB-OE2 3.42Å; N1290-E1293 WeakPolarHBondContact ND2-CG 3.19Å; N1290-E1293 PolarHBondContact O-N 3.2Å; N1290-E1293 PolarHBondContact OD1-N 2.91Å; L1291-E1293 VanDerWaalsContact C-N 3.34Å; E1293-Q1295 VanDerWaalsContact C-N 3.29Å; E1293-Q1295 PolarHBondContact O-N 2.81Å; E1293-E1296 CarbonylContact O-C 3.4Å; E1293-E1296 PolarHBondContact O-N 3.16Å; E1293-E1296 VanDerWaalsContact O-N 3.11Å; E1293-L1297 VanDerWaalsContact O-CG 3.3Å; E1293-L1297 WeakPolarHBondContact O-CG 3.45Å; E1293-L1297 PolarHBondContact O-N 3.32Å
1294	C	91.4	Very high	87.8	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.007	35%	0.353	C	S	.	.	H	α-helix	trans	-62.7	-36.3	175.9	-63.5	0	0	0	0	112.3	N1290 L1291 Y1298 V1305 I1329	N1290-C1294 PolarHBondContact O-N 3.5Å; N1290-C1294 VanDerWaalsContact O-N 3.12Å; N1290-C1294 PolarHBondContact O-SG 3.45Å; L1291-C1294 PolarHBondContact O-N 3.34Å; C1294-Y1298 WeakPolarHBondContact O-CB 3.37Å; C1294-Y1298 PolarHBondContact O-N 2.88Å; C1294-Y1298 VanDerWaalsContact O-N 3.07Å; C1294-V1305 HydrophobicContact CB-CG1 4.4Å; C1294-I1329 HydrophobicContact CB-CG2 4.15Å
1295	Q	90.7	Very high	88	Confident	83 Å²	83	65.8 Å²	65.8	39%	0.388	34%	0.335	S	S	.	.	H	α-helix	trans	-66.7	-39.4	172.5	-74	172.7	-11.3	0	0	111.5	L1291 Q1292 E1293 Y1298 R1299 C1330 T1332	L1291-Q1295 HydrophobicContact CD1-CG 4.42Å; L1291-Q1295 HydrophobicContact CG-CG 4.45Å; L1291-Q1295 WeakPolarHBondContact O-CB 3.43Å; L1291-Q1295 VanDerWaalsContact O-CG 3.29Å; L1291-Q1295 WeakPolarHBondContact O-CG 3.42Å; L1291-Q1295 PolarHBondContact O-N 3.37Å; Q1292-Q1295 PolarHBondContact O-N 2.83Å; E1293-Q1295 VanDerWaalsContact C-N 3.29Å; E1293-Q1295 PolarHBondContact O-N 2.81Å; Q1295-Y1298 PolarHBondContact O-N 2.92Å; Q1295-R1299 WeakPolarHBondContact O-CB 3.37Å; Q1295-R1299 PolarHBondContact O-N 2.98Å; Q1295-C1330 PolarHBondContact N-SG 2.89Å; Q1295-T1332 PolarHBondContact NE2-OG1 3.44Å
1296	E	88.5	Confident	88.3	Confident	73 Å²	73	60 Å²	60	34%	0.341	30%	0.304	S	S	.	.	H	α-helix	trans	-69.5	-40.9	176.4	-173.7	59.9	-167.4	0	0	112.3	Q1292 E1293 Y1298 R1299 I1300	Q1292-E1296 WeakPolarHBondContact O-CB 3.49Å; Q1292-E1296 PolarHBondContact O-N 3.04Å; E1293-E1296 CarbonylContact O-C 3.4Å; E1293-E1296 PolarHBondContact O-N 3.16Å; E1293-E1296 VanDerWaalsContact O-N 3.11Å; E1296-Y1298 VanDerWaalsContact C-N 3.3Å; E1296-Y1298 PolarHBondContact O-N 3.16Å; E1296-R1299 VanDerWaalsContact CD-NH2 3.34Å; E1296-R1299 WeakPolarHBondContact O-CB 3.48Å; E1296-R1299 PolarHBondContact O-N 3.2Å; E1296-R1299 VanDerWaalsContact O-N 3.1Å; E1296-R1299 IonicContact OE1-CZ 3.18Å; E1296-R1299 IonicContact OE1-NE 3.07Å; E1296-R1299 IonicContact OE1-NH2 3.47Å; E1296-R1299 PolarHBondContact OE1-NH2 3.05Å; E1296-R1299 IonicContact OE2-CZ 2.71Å; E1296-R1299 IonicContact OE2-NE 3.1Å; E1296-R1299 PolarHBondContact OE2-NE 3.42Å; E1296-R1299 IonicContact OE2-NH2 3.46Å; E1296-R1299 PolarHBondContact OE2-NH2 3.05Å; E1296-R1299 VanDerWaalsContact OE2-NH2 3.15Å; E1296-I1300 HydrophobicContact CG-CD1 3.82Å; E1296-I1300 HydrophobicContact CG-CG1 4.34Å; E1296-I1300 VanDerWaalsContact O-CG1 3.27Å; E1296-I1300 WeakPolarHBondContact O-CG1 3.49Å; E1296-I1300 PolarHBondContact O-N 3.04Å
1297	L	89.8	Confident	88.6	Confident	16 Å²	16	59.2 Å²	59.2	8%	0.084	30%	0.298	C	S	.	.	H	α-helix	trans	-55	-46.9	169.6	-66.1	167.5	0	0	0	111.2	Y1225 P1252 E1293 R1299 I1300 Y1301 V1305	Y1225-L1297 HydrophobicContact CD1-CD1 3.66Å; Y1225-L1297 HydrophobicContact CD2-CD1 3.74Å; Y1225-L1297 HydrophobicContact CD2-CD2 4.25Å; Y1225-L1297 HydrophobicContact CE1-CD1 3.44Å; Y1225-L1297 VanDerWaalsContact CE1-CD1 3.44Å; Y1225-L1297 HydrophobicContact CE2-CD1 3.52Å; Y1225-L1297 HydrophobicContact CE2-CD2 3.74Å; Y1225-L1297 HydrophobicContact CE2-CG 4.18Å; Y1225-L1297 HydrophobicContact CG-CD1 3.79Å; P1252-L1297 HydrophobicContact CG-CD2 4.35Å; E1293-L1297 VanDerWaalsContact O-CG 3.3Å; E1293-L1297 WeakPolarHBondContact O-CG 3.45Å; E1293-L1297 PolarHBondContact O-N 3.32Å; L1297-R1299 VanDerWaalsContact C-N 3.3Å; L1297-R1299 PolarHBondContact O-N 2.9Å; L1297-I1300 PolarHBondContact O-N 3.08Å; L1297-Y1301 HydrophobicContact CB-CD2 4.26Å; L1297-Y1301 HydrophobicContact CD2-CD2 4.2Å; L1297-Y1301 HydrophobicContact CD2-CE2 3.64Å; L1297-Y1301 WeakPolarHBondContact O-CB 3.34Å; L1297-Y1301 VanDerWaalsContact O-CD2 3.3Å; L1297-Y1301 WeakPolarHBondContact O-CD2 3.3Å; L1297-Y1301 PolarHBondContact O-N 2.9Å; L1297-V1305 HydrophobicContact CB-CG2 4.41Å
1298	Y	90.2	Very high	89.1	Confident	33 Å²	33	53.6 Å²	53.6	13%	0.129	26%	0.258	C	S	.	.	H	α-helix	trans	-64.2	-35.7	177.5	178.2	-102.9	0	0	0	111.9	C1294 Q1295 E1296 G1302 V1303 C1330 P1331	C1294-Y1298 WeakPolarHBondContact O-CB 3.37Å; C1294-Y1298 PolarHBondContact O-N 2.88Å; C1294-Y1298 VanDerWaalsContact O-N 3.07Å; Q1295-Y1298 PolarHBondContact O-N 2.92Å; E1296-Y1298 VanDerWaalsContact C-N 3.3Å; E1296-Y1298 PolarHBondContact O-N 3.16Å; Y1298-G1302 VanDerWaalsContact O-CA 3.26Å; Y1298-G1302 WeakPolarHBondContact O-CA 3.23Å; Y1298-G1302 PolarHBondContact O-N 3.29Å; Y1298-V1303 WeakPolarHBondContact CD2-O 3.43Å; Y1298-C1330 HydrophobicContact CD2-CB 4.38Å; Y1298-C1330 HydrophobicContact CG-CB 3.97Å; Y1298-P1331 HydrophobicContact CD1-CB 4.33Å; Y1298-P1331 HydrophobicContact CE1-CB 3.71Å; Y1298-P1331 HydrophobicContact CE1-CG 4.36Å; Y1298-P1331 HydrophobicContact CE2-CB 4.49Å; Y1298-P1331 HydrophobicContact CE2-CG 4.38Å
1299	R	87.5	Confident	89.6	Confident	166 Å²	166	51.1 Å²	51.1	63%	0.626	25%	0.246	S	C	*	.	H	α-helix	trans	-69.1	-40.9	175.9	-166.4	175.7	74.9	109.2	4	112.8	Q1295 E1296 L1297	Q1295-R1299 WeakPolarHBondContact O-CB 3.37Å; Q1295-R1299 PolarHBondContact O-N 2.98Å; E1296-R1299 VanDerWaalsContact CD-NH2 3.34Å; E1296-R1299 WeakPolarHBondContact O-CB 3.48Å; E1296-R1299 PolarHBondContact O-N 3.2Å; E1296-R1299 VanDerWaalsContact O-N 3.1Å; E1296-R1299 IonicContact OE1-CZ 3.18Å; E1296-R1299 IonicContact OE1-NE 3.07Å; E1296-R1299 IonicContact OE1-NH2 3.47Å; E1296-R1299 PolarHBondContact OE1-NH2 3.05Å; E1296-R1299 IonicContact OE2-CZ 2.71Å; E1296-R1299 IonicContact OE2-NE 3.1Å; E1296-R1299 PolarHBondContact OE2-NE 3.42Å; E1296-R1299 IonicContact OE2-NH2 3.46Å; E1296-R1299 PolarHBondContact OE2-NH2 3.05Å; E1296-R1299 VanDerWaalsContact OE2-NH2 3.15Å; L1297-R1299 VanDerWaalsContact C-N 3.3Å; L1297-R1299 PolarHBondContact O-N 2.9Å
1300	I	83.7	Confident	90	Very high	99 Å²	99	48 Å²	48	51%	0.508	23%	0.233	S	C	.	.	H	α-helix	trans	-74.7	-44.2	-179.8	-62.4	166.2	0	0	0	111.1	E1296 L1297	E1296-I1300 HydrophobicContact CG-CD1 3.82Å; E1296-I1300 HydrophobicContact CG-CG1 4.34Å; E1296-I1300 VanDerWaalsContact O-CG1 3.27Å; E1296-I1300 WeakPolarHBondContact O-CG1 3.49Å; E1296-I1300 PolarHBondContact O-N 3.04Å; L1297-I1300 PolarHBondContact O-N 3.08Å
1301	Y	82.8	Confident	90.3	Very high	61 Å²	61	45.1 Å²	45.1	24%	0.239	22%	0.218	C	C	.	.	H	α-helix	trans	-103.3	-22.5	-168.5	-54.6	-44.9	0	0	0	114.6	P1252 M1256 I1280 L1297 V1303	P1252-Y1301 HydrophobicContact CB-CD2 3.85Å; P1252-Y1301 HydrophobicContact CB-CE2 3.29Å; P1252-Y1301 HydrophobicContact CG-CE2 4.33Å; M1256-Y1301 HydrophobicContact CB-CE1 4.47Å; M1256-Y1301 HydrophobicContact CE-CD1 4.34Å; M1256-Y1301 HydrophobicContact CG-CD1 3.17Å; M1256-Y1301 HydrophobicContact CG-CE1 3.39Å; M1256-Y1301 HydrophobicContact CG-CG 4.02Å; M1256-Y1301 HydrophobicContact SD-CD1 3.59Å; M1256-Y1301 VanDerWaalsContact SD-CD1 3.59Å; M1256-Y1301 HydrophobicContact SD-CE1 4.41Å; M1256-Y1301 HydrophobicContact SD-CG 4.13Å; I1280-Y1301 HydrophobicContact CD1-CD2 4.3Å; L1297-Y1301 HydrophobicContact CB-CD2 4.26Å; L1297-Y1301 HydrophobicContact CD2-CD2 4.2Å; L1297-Y1301 HydrophobicContact CD2-CE2 3.64Å; L1297-Y1301 WeakPolarHBondContact O-CB 3.34Å; L1297-Y1301 VanDerWaalsContact O-CD2 3.3Å; L1297-Y1301 WeakPolarHBondContact O-CD2 3.3Å; L1297-Y1301 PolarHBondContact O-N 2.9Å; Y1301-V1303 PolarHBondContact O-N 2.68Å; Y1301-V1303 VanDerWaalsContact O-N 3.15Å
1302	G	83	Confident	90.6	Very high	36 Å²	36	42.2 Å²	42.2	37%	0.371	20%	0.202	S	C	.	.			trans	67.9	4.7	-175.8	0	0	0	0	0	115.2	Y1298	Y1298-G1302 VanDerWaalsContact O-CA 3.26Å; Y1298-G1302 WeakPolarHBondContact O-CA 3.23Å; Y1298-G1302 PolarHBondContact O-N 3.29Å
1303	V	86.1	Confident	90.9	Very high	16 Å²	16	35.7 Å²	35.7	10%	0.097	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-90.8	130.8	179.7	179.5	0	0	0	0	109.4	L1255 A1278 I1280 Y1298 Y1301	L1255-V1303 HydrophobicContact CD2-CG2 4Å; A1278-V1303 HydrophobicContact CB-CG1 3.67Å; A1278-V1303 HydrophobicContact CB-CG2 4Å; I1280-V1303 HydrophobicContact CD1-CB 4.07Å; I1280-V1303 HydrophobicContact CD1-CG1 4.13Å; I1280-V1303 HydrophobicContact CG1-CB 4.36Å; I1280-V1303 HydrophobicContact CG1-CG1 3.86Å; Y1298-V1303 WeakPolarHBondContact CD2-O 3.43Å; Y1301-V1303 PolarHBondContact O-N 2.68Å; Y1301-V1303 VanDerWaalsContact O-N 3.15Å
1304	P	90.5	Very high	91.1	Very high	16 Å²	16	33 Å²	33	10%	0.104	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-62.9	137.5	-179	26.5	-35.2	0	0	0	111.9	I1280	I1280-P1304 PolarHBondContact N-O 3.05Å
1305	V	92.7	Very high	91.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.4	173.7	-171.5	0	0	0	0	108	I1280 T1282 C1294 L1297 I1329 C1330	I1280-V1305 HydrophobicContact CB-CG2 4.23Å; I1280-V1305 HydrophobicContact CD1-CG2 4.41Å; I1280-V1305 HydrophobicContact CG2-CG1 4.23Å; I1280-V1305 HydrophobicContact CG2-CG2 4.39Å; I1280-V1305 WeakPolarHBondContact O-CA 3.5Å; T1282-V1305 HydrophobicContact CG2-CG1 3.76Å; C1294-V1305 HydrophobicContact CB-CG1 4.4Å; L1297-V1305 HydrophobicContact CB-CG2 4.41Å; V1305-I1329 HydrophobicContact CG1-CB 4.49Å; V1305-I1329 WeakPolarHBondContact O-CA 2.92Å; V1305-I1329 WeakPolarHBondContact O-CB 3.25Å; V1305-I1329 PolarHBondContact O-N 2.92Å; V1305-C1330 HydrophobicContact CB-CB 4.02Å; V1305-C1330 HydrophobicContact CG2-CB 4.19Å; V1305-C1330 PolarHBondContact N-O 2.81Å; V1305-C1330 VanDerWaalsContact N-O 3.12Å; V1305-C1330 PolarHBondContact O-N 3.28Å
1306	I	93.9	Very high	91.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	160.3	-177.7	80.3	177.1	0	0	0	111.1	V1279 I1280 L1281 T1282 W1310 I1323 Y1327	V1279-I1306 HydrophobicContact CG1-CD1 3.6Å; V1279-I1306 HydrophobicContact CG1-CG1 3.67Å; V1279-I1306 HydrophobicContact CG1-CG2 4.42Å; I1280-I1306 PolarHBondContact O-N 2.96Å; L1281-I1306 WeakPolarHBondContact CA-O 3.42Å; L1281-I1306 HydrophobicContact CD2-CD1 3.94Å; L1281-I1306 HydrophobicContact CD2-CG1 3.43Å; L1281-I1306 VanDerWaalsContact CD2-CG1 3.43Å; T1282-I1306 PolarHBondContact N-O 3.12Å; I1306-W1310 HydrophobicContact CD1-CB 3.74Å; I1306-W1310 HydrophobicContact CD1-CD2 3.71Å; I1306-W1310 HydrophobicContact CD1-CE3 3.84Å; I1306-W1310 HydrophobicContact CD1-CG 3.67Å; I1306-W1310 HydrophobicContact CG1-CB 4.44Å; I1306-I1323 HydrophobicContact CD1-CD1 3.9Å; I1306-I1323 HydrophobicContact CD1-CG1 4.05Å; I1306-I1323 HydrophobicContact CD1-CG2 4.2Å; I1306-I1323 HydrophobicContact CG2-CG2 3.88Å; I1306-Y1327 CarbonylContact C-O 3.57Å; I1306-Y1327 VanDerWaalsContact CA-O 3.26Å; I1306-Y1327 WeakPolarHBondContact CA-O 3.46Å; I1306-Y1327 VanDerWaalsContact CB-O 3.29Å; I1306-Y1327 WeakPolarHBondContact CB-O 3.36Å
1307	S	94.3	Very high	92	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	138.8	176.5	175.9	0	0	0	0	111.6	T1282 E1309 W1310 Y1327	T1282-S1307 CarbonylContact O-C 3.56Å; T1282-S1307 VanDerWaalsContact O-CA 3.32Å; T1282-S1307 WeakPolarHBondContact O-CA 3.44Å; S1307-E1309 PolarHBondContact O-N 2.87Å; S1307-E1309 VanDerWaalsContact O-N 3.11Å; S1307-E1309 PolarHBondContact OG-N 3.36Å; S1307-W1310 PolarHBondContact O-N 3.26Å; S1307-W1310 VanDerWaalsContact O-N 3.09Å; S1307-Y1327 PolarHBondContact N-O 3.39Å
1308	I	95.2	Very high	92.2	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.041	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-24.9	175.6	-168.5	169	0	0	0	113.6	L1228 L1231 F1236 T1282 W1310 M1311 L1312	L1228-I1308 HydrophobicContact CB-CD1 3.78Å; L1228-I1308 HydrophobicContact CD2-CD1 4.21Å; L1228-I1308 HydrophobicContact CG-CD1 4.4Å; L1231-I1308 HydrophobicContact CD2-CD1 3.82Å; F1236-I1308 HydrophobicContact CD2-CD1 4.49Å; T1282-I1308 PolarHBondContact O-N 2.93Å; I1308-W1310 PolarHBondContact O-N 3.15Å; I1308-W1310 VanDerWaalsContact O-N 3.08Å; I1308-M1311 HydrophobicContact CD1-CE 4.47Å; I1308-M1311 HydrophobicContact CG1-CE 4.36Å; I1308-M1311 WeakPolarHBondContact O-CA 3.27Å; I1308-M1311 VanDerWaalsContact O-CB 3.28Å; I1308-M1311 WeakPolarHBondContact O-CB 3.46Å; I1308-M1311 PolarHBondContact O-N 3.17Å; I1308-L1312 PolarHBondContact O-N 2.81Å
1309	E	94.3	Very high	92.3	Very high	62 Å²	62	29.9 Å²	29.9	29%	0.29	14%	0.142	S	C	.	.	H	α-helix	trans	-52.9	-29.9	173.5	-85.8	-58.6	115.9	0	0	113.6	R1130 S1307 M1311 L1312 N1313 Y1327	R1130-E1309 IonicContact NH1-OE2 3.53Å; S1307-E1309 PolarHBondContact O-N 2.87Å; S1307-E1309 VanDerWaalsContact O-N 3.11Å; S1307-E1309 PolarHBondContact OG-N 3.36Å; E1309-M1311 VanDerWaalsContact C-N 3.29Å; E1309-M1311 PolarHBondContact O-N 3.45Å; E1309-L1312 PolarHBondContact O-N 3.15Å; E1309-N1313 VanDerWaalsContact O-CB 3.32Å; E1309-N1313 WeakPolarHBondContact O-CB 3.36Å; E1309-N1313 PolarHBondContact O-N 3.27Å; E1309-N1313 PolarHBondContact O-ND2 3.01Å; E1309-N1313 PolarHBondContact OE2-ND2 3.33Å; E1309-Y1327 HydrophobicContact CB-CD1 4.21Å; E1309-Y1327 HydrophobicContact CB-CE1 4.06Å
1310	W	95.3	Very high	92.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61	-40.5	173.8	175	80.6	0	0	0	111.8	F1217 L1220 L1222 L1281 I1306 S1307 I1308 C1314 L1321 I1323 Y1327	F1217-W1310 AromaticContact CD1-CH2 3.96Å; F1217-W1310 HydrophobicContact CD1-CH2 3.96Å; F1217-W1310 HydrophobicContact CD1-CZ3 4.09Å; F1217-W1310 HydrophobicContact CE1-CH2 4.06Å; F1217-W1310 AromaticContact CE1-CZ3 3.94Å; F1217-W1310 HydrophobicContact CE1-CZ3 3.94Å; L1220-W1310 HydrophobicContact CD1-CH2 3.58Å; L1220-W1310 HydrophobicContact CD1-CZ2 4.32Å; L1222-W1310 HydrophobicContact CD2-CZ3 4.26Å; L1281-W1310 HydrophobicContact CD2-CE3 4.23Å; I1306-W1310 HydrophobicContact CD1-CB 3.74Å; I1306-W1310 HydrophobicContact CD1-CD2 3.71Å; I1306-W1310 HydrophobicContact CD1-CE3 3.84Å; I1306-W1310 HydrophobicContact CD1-CG 3.67Å; I1306-W1310 HydrophobicContact CG1-CB 4.44Å; S1307-W1310 PolarHBondContact O-N 3.26Å; S1307-W1310 VanDerWaalsContact O-N 3.09Å; I1308-W1310 PolarHBondContact O-N 3.15Å; I1308-W1310 VanDerWaalsContact O-N 3.08Å; W1310-C1314 WeakPolarHBondContact O-CB 3.28Å; W1310-C1314 PolarHBondContact O-N 3.19Å; W1310-C1314 VanDerWaalsContact O-N 3.12Å; W1310-C1314 PolarHBondContact O-SG 3.1Å; W1310-L1321 PolarHBondContact NE1-O 3.4Å; W1310-I1323 HydrophobicContact CD2-CG1 4.45Å; W1310-I1323 HydrophobicContact CG-CG1 4.46Å; W1310-I1323 HydrophobicContact CZ2-CG1 4.47Å; W1310-Y1327 HydrophobicContact CB-CD1 3.67Å; W1310-Y1327 HydrophobicContact CB-CD2 4.17Å; W1310-Y1327 HydrophobicContact CB-CE1 4.11Å; W1310-Y1327 HydrophobicContact CB-CG 3.7Å; W1310-Y1327 AromaticContact CD1-CD2 3.76Å; W1310-Y1327 AromaticContact CD1-CE2 3.99Å; W1310-Y1327 HydrophobicContact CG-CD2 4.37Å; W1310-Y1327 HydrophobicContact CG-CG 4.33Å
1311	M	96.4	Very high	92.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.9	-49.6	178.4	-166.2	-174.5	76.8	0	0	110.4	F1217 L1231 F1236 L1239 L1281 I1308 E1309 C1314 I1315	F1217-M1311 HydrophobicContact CE1-CG 3.97Å; F1217-M1311 HydrophobicContact CE2-CG 3.69Å; F1217-M1311 HydrophobicContact CE2-SD 4.45Å; F1217-M1311 HydrophobicContact CZ-CB 4.23Å; F1217-M1311 HydrophobicContact CZ-CG 3.28Å; L1231-M1311 HydrophobicContact CD2-CE 4.08Å; F1236-M1311 HydrophobicContact CD2-CE 3.89Å; F1236-M1311 HydrophobicContact CD2-SD 3.81Å; F1236-M1311 HydrophobicContact CE2-CE 4.36Å; F1236-M1311 HydrophobicContact CE2-SD 3.69Å; L1239-M1311 HydrophobicContact CB-CE 4.23Å; L1239-M1311 HydrophobicContact CD1-CE 4.21Å; L1281-M1311 HydrophobicContact CD1-CB 4.26Å; L1281-M1311 HydrophobicContact CD1-CG 4.48Å; L1281-M1311 HydrophobicContact CD1-SD 4.14Å; I1308-M1311 HydrophobicContact CD1-CE 4.47Å; I1308-M1311 HydrophobicContact CG1-CE 4.36Å; I1308-M1311 WeakPolarHBondContact O-CA 3.27Å; I1308-M1311 VanDerWaalsContact O-CB 3.28Å; I1308-M1311 WeakPolarHBondContact O-CB 3.46Å; I1308-M1311 PolarHBondContact O-N 3.17Å; E1309-M1311 VanDerWaalsContact C-N 3.29Å; E1309-M1311 PolarHBondContact O-N 3.45Å; M1311-C1314 WeakPolarHBondContact O-CB 3.41Å; M1311-C1314 PolarHBondContact O-N 3.06Å; M1311-I1315 HydrophobicContact CG-CD1 4.38Å; M1311-I1315 WeakPolarHBondContact O-CG1 3.21Å; M1311-I1315 PolarHBondContact O-N 2.99Å; M1311-I1315 VanDerWaalsContact O-N 3.13Å
1312	L	96.7	Very high	92.8	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.042	11%	0.106	C	C	.	.	H	α-helix	trans	-63.4	-45.8	-177.3	-58.4	-174.5	0	0	0	111.8	I967 F1135 I1308 E1309 C1314 I1315 S1316	I967-L1312 HydrophobicContact CD1-CD1 3.86Å; F1135-L1312 HydrophobicContact CD2-CD2 4.3Å; F1135-L1312 HydrophobicContact CE1-CB 4.06Å; F1135-L1312 HydrophobicContact CE1-CD2 4.37Å; F1135-L1312 HydrophobicContact CE2-CD1 4.45Å; F1135-L1312 HydrophobicContact CE2-CD2 3.96Å; F1135-L1312 HydrophobicContact CZ-CB 3.87Å; F1135-L1312 HydrophobicContact CZ-CD1 4.3Å; F1135-L1312 HydrophobicContact CZ-CD2 3.99Å; F1135-L1312 HydrophobicContact CZ-CG 4.26Å; I1308-L1312 PolarHBondContact O-N 2.81Å; E1309-L1312 PolarHBondContact O-N 3.15Å; L1312-C1314 VanDerWaalsContact C-N 3.32Å; L1312-C1314 PolarHBondContact O-N 3.18Å; L1312-I1315 PolarHBondContact O-N 3.43Å; L1312-S1316 PolarHBondContact O-N 3.24Å
1313	N	95.6	Very high	92.9	Very high	12 Å²	12	18.4 Å²	18.4	6%	0.064	9%	0.091	C	C	.	.	H	α-helix	trans	-66.4	-30.6	176.9	-67.5	-51.7	0	0	0	112.9	R1130 C1173 E1309 I1315 L1317 L1321	R1130-N1313 VanDerWaalsContact CZ-OD1 3.25Å; R1130-N1313 PolarHBondContact NH1-OD1 2.96Å; R1130-N1313 PolarHBondContact NH2-OD1 3.11Å; C1173-N1313 PolarHBondContact SG-OD1 3.21Å; E1309-N1313 VanDerWaalsContact O-CB 3.32Å; E1309-N1313 WeakPolarHBondContact O-CB 3.36Å; E1309-N1313 PolarHBondContact O-N 3.27Å; E1309-N1313 PolarHBondContact O-ND2 3.01Å; E1309-N1313 PolarHBondContact OE2-ND2 3.33Å; N1313-I1315 VanDerWaalsContact C-N 3.33Å; N1313-L1317 WeakPolarHBondContact O-CB 3.47Å; N1313-L1317 WeakPolarHBondContact O-CG 3.21Å; N1313-L1317 PolarHBondContact O-N 3Å; N1313-L1317 VanDerWaalsContact O-N 3.16Å; N1313-L1321 HydrophobicContact CB-CD1 3.68Å
1314	C	95.6	Very high	92.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.8	-33.4	170.4	-75.2	0	0	0	0	113	P1216 F1217 W1310 M1311 L1312 Y1318 R1319 L1321	P1216-C1314 HydrophobicContact CB-CB 4.27Å; F1217-C1314 HydrophobicContact CE1-CB 3.72Å; F1217-C1314 HydrophobicContact CZ-CB 4.08Å; W1310-C1314 WeakPolarHBondContact O-CB 3.28Å; W1310-C1314 PolarHBondContact O-N 3.19Å; W1310-C1314 VanDerWaalsContact O-N 3.12Å; W1310-C1314 PolarHBondContact O-SG 3.1Å; M1311-C1314 WeakPolarHBondContact O-CB 3.41Å; M1311-C1314 PolarHBondContact O-N 3.06Å; L1312-C1314 VanDerWaalsContact C-N 3.32Å; L1312-C1314 PolarHBondContact O-N 3.18Å; C1314-Y1318 WeakPolarHBondContact O-CA 3.48Å; C1314-Y1318 PolarHBondContact O-N 3.43Å; C1314-R1319 WeakPolarHBondContact CA-O 3.21Å; C1314-R1319 PolarHBondContact O-N 3.01Å; C1314-L1321 PolarHBondContact SG-N 3.35Å
1315	I	97.3	Very high	92.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-75.9	-52.2	177.4	-59.3	162	0	0	0	110.2	F1135 I1138 L1139 F1217 L1239 M1311 L1312 N1313 L1317 Y1318	F1135-I1315 HydrophobicContact CB-CG2 3.97Å; F1135-I1315 HydrophobicContact CD1-CB 3.9Å; F1135-I1315 HydrophobicContact CD1-CG2 3.74Å; F1135-I1315 HydrophobicContact CG-CG2 4.33Å; I1138-I1315 HydrophobicContact CB-CG2 4.37Å; L1139-I1315 HydrophobicContact CD1-CD1 4.11Å; L1139-I1315 HydrophobicContact CD1-CG1 4.15Å; L1139-I1315 HydrophobicContact CD1-CG2 4.09Å; L1139-I1315 HydrophobicContact CD2-CG1 4.26Å; L1139-I1315 HydrophobicContact CD2-CG2 3.92Å; L1139-I1315 HydrophobicContact CG-CG1 4.46Å; L1139-I1315 HydrophobicContact CG-CG2 3.73Å; F1217-I1315 HydrophobicContact CE2-CD1 4.11Å; F1217-I1315 HydrophobicContact CE2-CG1 3.93Å; F1217-I1315 HydrophobicContact CZ-CD1 4.19Å; F1217-I1315 HydrophobicContact CZ-CG1 3.79Å; L1239-I1315 HydrophobicContact CB-CD1 4.26Å; L1239-I1315 HydrophobicContact CD1-CD1 4.35Å; L1239-I1315 HydrophobicContact CD2-CD1 4.42Å; M1311-I1315 HydrophobicContact CG-CD1 4.38Å; M1311-I1315 WeakPolarHBondContact O-CG1 3.21Å; M1311-I1315 PolarHBondContact O-N 2.99Å; M1311-I1315 VanDerWaalsContact O-N 3.13Å; L1312-I1315 PolarHBondContact O-N 3.43Å; N1313-I1315 VanDerWaalsContact C-N 3.33Å; I1315-L1317 PolarHBondContact O-N 2.93Å; I1315-Y1318 PolarHBondContact O-N 3.04Å
1316	S	96.3	Very high	91.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-51.3	-43.3	177.1	-77.1	0	0	0	0	112.4	R1130 F1135 D1170 H1177 G1179 L1312	R1130-S1316 PolarHBondContact NH2-OG 3.38Å; F1135-S1316 WeakPolarHBondContact CE1-OG 3.44Å; D1170-S1316 WeakPolarHBondContact OD2-CB 3.39Å; D1170-S1316 PolarHBondContact OD2-OG 2.8Å; H1177-S1316 PolarHBondContact CE1-O 3.48Å; H1177-S1316 PolarHBondContact ND1-O 2.97Å; G1179-S1316 WeakPolarHBondContact CA-O 3.39Å; L1312-S1316 PolarHBondContact O-N 3.24Å
1317	L	94.5	Very high	91.4	Very high	35 Å²	35	33.2 Å²	33.2	18%	0.183	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-5.4	179.2	-63.6	174.5	0	0	0	113.9	C1173 H1177 R1182 N1313 I1315 R1319 L1321	C1173-L1317 HydrophobicContact CB-CD2 3.97Å; C1173-L1317 HydrophobicContact CB-CG 4.29Å; H1177-L1317 HydrophobicContact CB-CD2 3.6Å; R1182-L1317 VanDerWaalsContact CZ-O 3.26Å; R1182-L1317 PolarHBondContact NE-O 3.5Å; R1182-L1317 PolarHBondContact NH2-O 3.47Å; N1313-L1317 WeakPolarHBondContact O-CB 3.47Å; N1313-L1317 WeakPolarHBondContact O-CG 3.21Å; N1313-L1317 PolarHBondContact O-N 3Å; N1313-L1317 VanDerWaalsContact O-N 3.16Å; I1315-L1317 PolarHBondContact O-N 2.93Å; L1317-R1319 HydrophobicContact CB-CB 4.4Å; L1317-R1319 PolarHBondContact O-N 2.9Å; L1317-L1321 HydrophobicContact CD1-CD1 4.18Å; L1317-L1321 HydrophobicContact CD1-CD2 3.88Å
1318	Y	95.1	Very high	91.1	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.9	50.3	-168.9	-159.3	-106.1	0	0	0	112.6	I1138 L1139 R1182 V1187 P1216 C1314 I1315	I1138-Y1318 HydrophobicContact CG2-CD2 3.66Å; I1138-Y1318 HydrophobicContact CG2-CG 4.15Å; L1139-Y1318 HydrophobicContact CD2-CD2 4.27Å; L1139-Y1318 HydrophobicContact CD2-CE2 4.05Å; R1182-Y1318 HydrophobicContact CB-CD1 4.11Å; R1182-Y1318 HydrophobicContact CB-CG 4.43Å; R1182-Y1318 WeakPolarHBondContact O-CD1 3.26Å; V1187-Y1318 VanDerWaalsContact O-CE1 3.22Å; V1187-Y1318 WeakPolarHBondContact O-CE1 3.1Å; P1216-Y1318 HydrophobicContact CG-CD2 4.13Å; P1216-Y1318 HydrophobicContact CG-CE2 4.38Å; C1314-Y1318 WeakPolarHBondContact O-CA 3.48Å; C1314-Y1318 PolarHBondContact O-N 3.43Å; I1315-Y1318 PolarHBondContact O-N 3.04Å
1319	R	91.2	Very high	90.8	Very high	104 Å²	104	36.5 Å²	36.5	39%	0.392	18%	0.184	S	C	.	.	S	Bend	trans	-154	139.4	-174	-179.6	178.9	171.1	-172.1	-4.1	109.8	C1314 L1317 L1321	C1314-R1319 WeakPolarHBondContact CA-O 3.21Å; C1314-R1319 PolarHBondContact O-N 3.01Å; L1317-R1319 HydrophobicContact CB-CB 4.4Å; L1317-R1319 PolarHBondContact O-N 2.9Å; R1319-L1321 PolarHBondContact O-N 3.19Å
1320	R	92	Very high	90.4	Very high	28 Å²	28	33.6 Å²	33.6	11%	0.106	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-67.1	120.8	168	177.8	163.3	-66.3	174.2	2.2	110.5	A1189 I1190 P1216 F1217 S1218	A1189-R1320 PolarHBondContact O-N 3.15Å; I1190-R1320 HydrophobicContact CG1-CB 4.1Å; P1216-R1320 VanDerWaalsContact O-CZ 3.3Å; P1216-R1320 PolarHBondContact O-NE 2.81Å; P1216-R1320 PolarHBondContact O-NH2 3.41Å; F1217-R1320 PolarHBondContact O-NH2 2.88Å; S1218-R1320 VanDerWaalsContact O-CZ 3.25Å; S1218-R1320 PolarHBondContact O-NH1 2.76Å; S1218-R1320 PolarHBondContact O-NH2 3.11Å
1321	L	89.8	Confident	89.6	Confident	26 Å²	26	35 Å²	35	14%	0.136	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-92.1	146.1	173.9	-60.3	178.9	0	0	0	111.3	W1310 N1313 C1314 L1317 R1319	W1310-L1321 PolarHBondContact NE1-O 3.4Å; N1313-L1321 HydrophobicContact CB-CD1 3.68Å; C1314-L1321 PolarHBondContact SG-N 3.35Å; L1317-L1321 HydrophobicContact CD1-CD1 4.18Å; L1317-L1321 HydrophobicContact CD1-CD2 3.88Å; R1319-L1321 PolarHBondContact O-N 3.19Å
1322	P	83.5	Confident	88	Confident	59 Å²	59	37.5 Å²	37.5	38%	0.383	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-66.4	142.8	169.3	30	-34.6	0	0	0	110.4	N1324	P1322-N1324 PolarHBondContact O-N 3.44Å
1323	I	84.8	Confident	86	Confident	9 Å²	9	40.7 Å²	40.7	5%	0.046	22%	0.216	C	C	.	.			trans	-79.9	85.5	176.6	-59.4	170.8	0	0	0	108.4	I713 F714 V1279 I1306 W1310	I713-I1323 HydrophobicContact CD1-CB 4.09Å; I713-I1323 HydrophobicContact CD1-CG2 4.39Å; I713-I1323 WeakPolarHBondContact CD1-O 3.15Å; F714-I1323 HydrophobicContact CE2-CD1 3.73Å; F714-I1323 HydrophobicContact CE2-CG1 4.35Å; F714-I1323 HydrophobicContact CZ-CD1 3.59Å; V1279-I1323 HydrophobicContact CG2-CD1 4.34Å; I1306-I1323 HydrophobicContact CD1-CD1 3.9Å; I1306-I1323 HydrophobicContact CD1-CG1 4.05Å; I1306-I1323 HydrophobicContact CD1-CG2 4.2Å; I1306-I1323 HydrophobicContact CG2-CG2 3.88Å; W1310-I1323 HydrophobicContact CD2-CG1 4.45Å; W1310-I1323 HydrophobicContact CG-CG1 4.46Å; W1310-I1323 HydrophobicContact CZ2-CG1 4.47Å
1324	N	80.2	Confident	83.3	Confident	83 Å²	83	48.1 Å²	48.1	44%	0.444	25%	0.25	S	C	.	.			trans	-78.9	-177.8	174.8	71.1	7.1	0	0	0	112	P1322 A1326 Y1327 R1328	P1322-N1324 PolarHBondContact O-N 3.44Å; N1324-A1326 VanDerWaalsContact C-N 3.27Å; N1324-A1326 PolarHBondContact O-N 2.88Å; N1324-A1326 WeakPolarHBondContact OD1-CB 3.06Å; N1324-A1326 PolarHBondContact OD1-N 3.22Å; N1324-A1326 VanDerWaalsContact OD1-N 3.1Å; N1324-Y1327 PolarHBondContact O-N 3.23Å; N1324-Y1327 WeakPolarHBondContact OD1-CD2 3.07Å; N1324-R1328 PolarHBondContact O-N 2.8Å
1325	Q	79.3	Confident	80.4	Confident	149 Å²	149	53.4 Å²	53.4	70%	0.696	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.6	178.9	-74.1	171.3	-27.9	0	0	113.7	Y1327 R1328	Q1325-Y1327 PolarHBondContact O-N 3.48Å; Q1325-R1328 PolarHBondContact O-N 2.92Å
1326	A	83	Confident	77.4	Confident	72 Å²	72	59.6 Å²	59.6	60%	0.595	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.9	-179	0	0	0	0	0	113.3	N1324	N1324-A1326 VanDerWaalsContact C-N 3.27Å; N1324-A1326 PolarHBondContact O-N 2.88Å; N1324-A1326 WeakPolarHBondContact OD1-CB 3.06Å; N1324-A1326 PolarHBondContact OD1-N 3.22Å; N1324-A1326 VanDerWaalsContact OD1-N 3.1Å
1327	Y	89.7	Confident	74.2	Confident	38 Å²	38	64.2 Å²	64.2	15%	0.149	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-26.9	175.4	-57.6	-61	0	0	0	113.6	I1306 S1307 E1309 W1310 N1324 Q1325 I1329	I1306-Y1327 CarbonylContact C-O 3.57Å; I1306-Y1327 VanDerWaalsContact CA-O 3.26Å; I1306-Y1327 WeakPolarHBondContact CA-O 3.46Å; I1306-Y1327 VanDerWaalsContact CB-O 3.29Å; I1306-Y1327 WeakPolarHBondContact CB-O 3.36Å; S1307-Y1327 PolarHBondContact N-O 3.39Å; E1309-Y1327 HydrophobicContact CB-CD1 4.21Å; E1309-Y1327 HydrophobicContact CB-CE1 4.06Å; W1310-Y1327 HydrophobicContact CB-CD1 3.67Å; W1310-Y1327 HydrophobicContact CB-CD2 4.17Å; W1310-Y1327 HydrophobicContact CB-CE1 4.11Å; W1310-Y1327 HydrophobicContact CB-CG 3.7Å; W1310-Y1327 AromaticContact CD1-CD2 3.76Å; W1310-Y1327 AromaticContact CD1-CE2 3.99Å; W1310-Y1327 HydrophobicContact CG-CD2 4.37Å; W1310-Y1327 HydrophobicContact CG-CG 4.33Å; N1324-Y1327 PolarHBondContact O-N 3.23Å; N1324-Y1327 WeakPolarHBondContact OD1-CD2 3.07Å; Q1325-Y1327 PolarHBondContact O-N 3.48Å; Y1327-I1329 PolarHBondContact O-N 3.18Å
1328	R	87.3	Confident	71.4	Confident	65 Å²	65	67.5 Å²	67.5	25%	0.245	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	121.7	-169.8	177.7	-177.8	-79.8	-156	-6.5	112.2	I713 N1324 Q1325 P1331	I713-R1328 VanDerWaalsContact CD1-NH2 3.3Å; N1324-R1328 PolarHBondContact O-N 2.8Å; Q1325-R1328 PolarHBondContact O-N 2.92Å; R1328-P1331 VanDerWaalsContact CD-O 3.29Å; R1328-P1331 WeakPolarHBondContact CD-O 3.01Å
1329	I	89.3	Confident	68.3	Low	15 Å²	15	72.4 Å²	72.4	8%	0.077	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-50.5	173.8	-58.9	169.7	0	0	0	110.2	T1282 K1284 F1289 L1291 C1294 V1305 Y1327 T1332	T1282-I1329 HydrophobicContact CG2-CD1 3.45Å; T1282-I1329 VanDerWaalsContact CG2-CD1 3.45Å; K1284-I1329 HydrophobicContact CB-CD1 4.01Å; F1289-I1329 HydrophobicContact CE2-CD1 4.18Å; F1289-I1329 HydrophobicContact CE2-CG2 3.98Å; F1289-I1329 HydrophobicContact CZ-CG2 3.72Å; L1291-I1329 HydrophobicContact CD1-CG2 3.9Å; C1294-I1329 HydrophobicContact CB-CG2 4.15Å; V1305-I1329 HydrophobicContact CG1-CB 4.49Å; V1305-I1329 WeakPolarHBondContact O-CA 2.92Å; V1305-I1329 WeakPolarHBondContact O-CB 3.25Å; V1305-I1329 PolarHBondContact O-N 2.92Å; Y1327-I1329 PolarHBondContact O-N 3.18Å; I1329-T1332 PolarHBondContact O-OG1 2.88Å
1330	C	86.1	Confident	65.6	Low	0 Å²	0	73.9 Å²	73.9	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	135.3	175.4	-71.5	0	0	0	0	112.1	Q1295 Y1298 V1305	Q1295-C1330 PolarHBondContact N-SG 2.89Å; Y1298-C1330 HydrophobicContact CD2-CB 4.38Å; Y1298-C1330 HydrophobicContact CG-CB 3.97Å; V1305-C1330 HydrophobicContact CB-CB 4.02Å; V1305-C1330 HydrophobicContact CG2-CB 4.19Å; V1305-C1330 PolarHBondContact N-O 2.81Å; V1305-C1330 VanDerWaalsContact N-O 3.12Å; V1305-C1330 PolarHBondContact O-N 3.28Å
1331	P	78.6	Confident	62.8	Low	29 Å²	29	77.6 Å²	77.6	19%	0.188	45%	0.454	C	S	.	.	S	Bend	cis	-68.7	134.5	1.1	28.1	-33.6	0	0	0	111.9	Y1298 R1328	Y1298-P1331 HydrophobicContact CD1-CB 4.33Å; Y1298-P1331 HydrophobicContact CE1-CB 3.71Å; Y1298-P1331 HydrophobicContact CE1-CG 4.36Å; Y1298-P1331 HydrophobicContact CE2-CB 4.49Å; Y1298-P1331 HydrophobicContact CE2-CG 4.38Å; R1328-P1331 VanDerWaalsContact CD-O 3.29Å; R1328-P1331 WeakPolarHBondContact CD-O 3.01Å
1332	T	63	Low	60	Low	54 Å²	54	85.9 Å²	85.9	33%	0.331	49%	0.49	S	S	.	.			trans	-59.8	135.8	-180	-46.8	0	0	0	0	109.4	Q1295 I1329 Q1334	Q1295-T1332 PolarHBondContact NE2-OG1 3.44Å; I1329-T1332 PolarHBondContact O-OG1 2.88Å; T1332-Q1334 PolarHBondContact O-N 3.43Å
1333	P	54.2	Low	57.6	Low	75 Å²	75	92 Å²	92	49%	0.487	53%	0.533	S	S	.	.			trans	-67.8	95.8	-180	27.3	-34.4	0	0	0	110.5
1334	Q	39.7	Very low	56.2	Low	167 Å²	167	96.1 Å²	96.1	78%	0.78	56%	0.558	S	S	*	*			trans	-64.6	131.5	169.4	-70.2	-172.6	-6.1	0	0	109.3	T1332 V1336	T1332-Q1334 PolarHBondContact O-N 3.43Å; Q1334-V1336 PolarHBondContact O-N 2.94Å
1335	P	34.4	Very low	55	Low	112 Å²	112	96.8 Å²	96.8	73%	0.727	56%	0.564	S	S	*	*			trans	-62.4	123.3	168.1	26.8	-32.6	0	0	0	108.2	S1337	P1335-S1337 PolarHBondContact O-N 2.69Å
1336	V	33.4	Very low	53.6	Low	129 Å²	129	93.9 Å²	93.9	78%	0.782	56%	0.556	S	S	*	*			trans	-81.1	54.7	-172.1	-173.8	0	0	0	0	110.5	Q1334 V1338	Q1334-V1336 PolarHBondContact O-N 2.94Å; V1336-V1338 HydrophobicContact CG1-CG2 3.64Å; V1336-V1338 PolarHBondContact O-N 3.13Å
1337	S	29.9	Very low	51.9	Low	97 Å²	97	95.2 Å²	95.2	68%	0.678	55%	0.554	S	S	*	*			trans	-76.4	69.3	173	61	0	0	0	0	110	P1335 S1339	P1335-S1337 PolarHBondContact O-N 2.69Å; S1337-S1339 PolarHBondContact O-N 3.44Å
1338	V	34.3	Very low	49.5	Very low	105 Å²	105	98.8 Å²	98.8	64%	0.636	58%	0.579	S	S	*	*			trans	-74.4	78.8	176.4	-167	0	0	0	0	109.4	V1336 I1340	V1336-V1338 HydrophobicContact CG1-CG2 3.64Å; V1336-V1338 PolarHBondContact O-N 3.13Å; V1338-I1340 HydrophobicContact CG1-CD1 4.35Å; V1338-I1340 HydrophobicContact CG1-CG1 3.65Å; V1338-I1340 PolarHBondContact O-N 2.76Å
1339	S	30.4	Very low	47	Very low	105 Å²	105	101 Å²	101	73%	0.734	60%	0.602	S	S	*	*			trans	-66	83.6	164.1	41.8	0	0	0	0	109.1	S1337 S1341	S1337-S1339 PolarHBondContact O-N 3.44Å; S1339-S1341 PolarHBondContact O-N 3.31Å
1340	I	35.9	Very low	44	Very low	135 Å²	135	107.1 Å²	107.1	69%	0.692	64%	0.639	S	S	*	*			trans	-67.9	81.6	169.9	-52	-178.3	0	0	0	108.4	V1338 K1342	V1338-I1340 HydrophobicContact CG1-CD1 4.35Å; V1338-I1340 HydrophobicContact CG1-CG1 3.65Å; V1338-I1340 PolarHBondContact O-N 2.76Å; I1340-K1342 HydrophobicContact CG2-CG 4.39Å; I1340-K1342 PolarHBondContact O-N 3.39Å
1341	S	32.4	Very low	40.7	Very low	105 Å²	105	115.4 Å²	115.4	73%	0.734	69%	0.688	S	S	*	*			trans	-63	100.2	165.4	52.7	0	0	0	0	108.1	S1339 S1343	S1339-S1341 PolarHBondContact O-N 3.31Å; S1341-S1343 PolarHBondContact O-N 3.5Å
1342	K	30.3	Very low	37.6	Very low	201 Å²	201	122.6 Å²	122.6	87%	0.874	73%	0.73	S	S	*	*			trans	-71.9	107	174.4	-69.2	-178.8	179.8	177	0	109.6	I1340	I1340-K1342 HydrophobicContact CG2-CG 4.39Å; I1340-K1342 PolarHBondContact O-N 3.39Å
1343	S	33.3	Very low	35.3	Very low	186 Å²	186	128.8 Å²	128.8	100%	1.301	77%	0.766	S	S	*	*			trans	-115.3	0	159.5	60.2	0	0	0	0	108.5	S1341	S1341-S1343 PolarHBondContact O-N 3.5Å

Retrieved 1,343 of 1,343 residues in 808.4 ms (Link to these results)

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