A0A087XKX9_POEFO Loading...

M-phase phosphoprotein 8

AlphaFold DB , UniProt , Accession A0A087XKX9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 891 aa.

						>A0A087XKX9_POEFO|A0A087XKX9
MASEAEKVEPTESEQDEEEDVYEVERIIDMRVEEGEVLYRVRWKNYCSDDDTWEPEAHLEDCHEVLLAFKRHQAELKAKKEAESKKPVQKLLPIKSDVFDADSESDSDKERPTEAPVNKRRDEPKPLPAPETDDDEEEEAPPTPPSPPKEAKVESKKRYADSDEEEEDRAPSSKKQKKEKGKDGGKHKKIKTEEGGKKKKVKKEWKVESSDDEATAPVEEDLSDGPSESQVEDSGSAEAAAKPAQKLNLEDKIKQKKGKWEVKLQGIKDLISEKKSKKPDGSLQKPKSQSSKSKEDGALQSDSSDNSSLHKKAKSKGGDGTPAPPQKAPSSSTSSSSSSSSSAAMATSKVKEEEATKEEALGQKDASGSTNLFEKFLLNCEAKDRAPRRPPPATEKSSSKPTKVQTSTVLHVQTGSRDPITNVLTFFRDSYYKLIGKIEKIPKPTKESPSQKAEPERTERTKQSDGKAAGFSMTDKDLWDSFSVDSDEREEESTGKPRPADDSRERKERADEALRPSWERRSSADDRRKRRDDSEPRLFISCDENQEPPEGNDKSERGQATLSLGMDLNLDWMTLDNFQKHLNGEDEILSGPPLSPSELRDAVKSGDYMAVKLALNSKEDYNLEQEDVSGMSLCMLAAAGGQDDILRLLIRKGVRVNARQKNGTTALMHAAEKNFLTTVAMLLEAGSYVNAQTLGGETALMKACKRGNADIVRLLLEYGADCNILSKHKNTALYFANFSNNLMVCDLVKDHINKLSSVAEDTIRAYFESRLVVLERVFPLACHRLCEGPDFSMEFLYKAQPQPEGSTPGSGILLFIFHANFLNEIIARLCGPCSVHAVVLNDKFQLPIFLDSHFIYSFSPIPGINKLFIRLAEAPTAKVKLLIGAYRVQLQ
					

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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	33.1	Very low	36.4	Very low	235 Å²	235	142.9 Å²	142.9	100%	1.158	80%	0.802	S	S	*	*				0	123.2	0	-62.9	170.6	-177.7	0	0	104.7
2	A	35.1	Very low	36.4	Very low	97 Å²	97	146.3 Å²	146.3	80%	0.802	81%	0.807	S	S	*	*				63.3	124.9	58.8	0	0	0	0	0	110.4
3	S	35.5	Very low	36.5	Very low	119 Å²	119	143.7 Å²	143.7	83%	0.832	81%	0.805	S	S	*	*			cis	-153.8	178.7	6.3	47.8	0	0	0	0	112.4
4	E	36.4	Very low	37.3	Very low	185 Å²	185	146.1 Å²	146.1	86%	0.864	81%	0.807	S	S	*	*			trans	-69.1	168.3	-179.1	-61.2	153.5	97.8	0	0	114.5
5	A	41.8	Very low	37.3	Very low	95 Å²	95	149.5 Å²	149.5	79%	0.785	81%	0.814	S	S	*	*			trans	73.4	154.4	158.2	0	0	0	0	0	117.5
6	E	33.7	Very low	37.5	Very low	172 Å²	172	149.6 Å²	149.6	80%	0.804	81%	0.814	S	S	*	*			cis	-144.4	132.8	7	-148.6	-178.5	154.4	0	0	113.2
7	K	38.1	Very low	38.1	Very low	178 Å²	178	152.6 Å²	152.6	77%	0.774	82%	0.821	S	S	*	*			trans	16.9	129.7	141.5	-164.2	-174.5	-176	179.8	0	119.6
8	V	32.7	Very low	38.9	Very low	134 Å²	134	154.6 Å²	154.6	81%	0.812	82%	0.824	S	S	*	*				176.4	135.8	119.3	149.6	0	0	0	0	110.2
9	E	34.7	Very low	39.6	Very low	160 Å²	160	156.2 Å²	156.2	75%	0.748	83%	0.827	S	S	*	*			trans	-88.3	165.7	174.1	-115.5	-169.9	-106.9	0	0	111
10	P	44.6	Very low	40.1	Very low	104 Å²	104	155 Å²	155	68%	0.675	82%	0.821	S	S	*	*			cis	-149.7	160.5	49.1	43.4	-23.3	0	0	0	119.8
11	T	35.3	Very low	41.2	Very low	93 Å²	93	153.5 Å²	153.5	57%	0.571	82%	0.817	S	S	*	*			trans	46.7	124.9	141.3	60.8	0	0	0	0	123.3
12	E	35.9	Very low	42.9	Very low	184 Å²	184	148.9 Å²	148.9	86%	0.86	79%	0.788	S	S	*	*			trans	72.2	136.9	132.9	-67.9	172	-151.2	0	0	120
13	S	38.2	Very low	44.9	Very low	112 Å²	112	146.8 Å²	146.8	78%	0.783	76%	0.761	S	S	*	*			cis	-153.3	157.3	-5.4	45.1	0	0	0	0	112.7
14	E	46.8	Very low	47.1	Very low	178 Å²	178	141.2 Å²	141.2	83%	0.832	72%	0.723	S	S	*	*			trans	-99.5	159.8	-178.8	-66.8	158.5	140	0	0	111
15	Q	37.5	Very low	49.3	Very low	196 Å²	196	133.9 Å²	133.9	92%	0.916	69%	0.688	S	S	*	*			trans	-143.4	112.2	167	-70.6	-165.3	-52.4	0	0	109.2
16	D	41.4	Very low	51.3	Low	151 Å²	151	134.9 Å²	134.9	81%	0.807	67%	0.672	S	S	*	*			trans	-92.6	165.7	172.2	-66.7	-61.4	0	0	0	111.2
17	E	47.8	Very low	53.9	Low	201 Å²	201	127 Å²	127	94%	0.939	64%	0.635	S	S	*	*			trans	-97.2	114.4	178.1	-61.5	179.8	150.5	0	0	109.9
18	E	52.5	Low	56.2	Low	188 Å²	188	121.7 Å²	121.7	88%	0.879	61%	0.614	S	S	*	*			trans	-92.7	151	176.2	-67	-174.1	128.1	0	0	112.1
19	E	50.8	Low	58.7	Low	186 Å²	186	118 Å²	118	87%	0.869	59%	0.59	S	S	*	*			trans	-86	126.6	176.4	-64.7	-174.1	133	0	0	111.9	V21	E19-V21 PolarHBondContact O-N 3.37Å
20	D	51.2	Low	61.3	Low	131 Å²	131	113.1 Å²	113.1	70%	0.701	57%	0.568	S	S	*	*			trans	-69.1	95.2	-177	-81.9	-53.2	0	0	0	113.5	Y22	D20-Y22 PolarHBondContact O-N 3.49Å
21	V	63.3	Low	63.3	Low	124 Å²	124	111.2 Å²	111.2	75%	0.752	55%	0.547	S	S	*	.			trans	-82.5	113.7	173.3	-179.9	0	0	0	0	111.4	E19 E23	E19-V21 PolarHBondContact O-N 3.37Å; V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 PolarHBondContact O-N 3.2Å
22	Y	67	Low	65.9	Low	139 Å²	139	111.3 Å²	111.3	55%	0.545	55%	0.548	S	S	.	.			trans	-73.5	74.2	179.6	-68.6	-91.4	0	0	0	113.5	D20 W43 Y46	D20-Y22 PolarHBondContact O-N 3.49Å; Y22-W43 WeakPolarHBondContact O-CZ3 3.35Å; Y22-Y46 AromaticContact CD1-CE2 3.91Å; Y22-Y46 HydrophobicContact CD1-CE2 3.91Å; Y22-Y46 HydrophobicContact CE1-CE1 4.2Å; Y22-Y46 AromaticContact CE1-CE2 3.82Å; Y22-Y46 HydrophobicContact CE1-CE2 3.82Å; Y22-Y46 AromaticContact CE1-CZ 3.46Å; Y22-Y46 VanDerWaalsContact CE1-CZ 3.46Å; Y22-Y46 WeakPolarHBondContact CE1-OH 3.26Å; Y22-Y46 PolarHBondContact OH-OH 3.27Å
23	E	77	Confident	68.1	Low	52 Å²	52	106.6 Å²	106.6	24%	0.243	53%	0.526	C	S	.	.			trans	-81.4	130.5	175.7	49.9	154.1	111.8	0	0	113.3	V21 K44 K125 L127	V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 PolarHBondContact O-N 3.2Å; E23-K44 HydrophobicContact CG-CB 4.17Å; E23-K44 HydrophobicContact CG-CD 3.99Å; E23-K44 WeakPolarHBondContact O-CB 3.18Å; E23-K44 PolarHBondContact O-N 2.93Å; E23-K44 IonicContact OE1-NZ 2.65Å; E23-K44 PolarHBondContact OE1-NZ 2.9Å; E23-K44 WeakPolarHBondContact OE2-CD 3.36Å; E23-K44 WeakPolarHBondContact OE2-CE 3.48Å; E23-K44 IonicContact OE2-NZ 3.13Å; E23-K44 PolarHBondContact OE2-NZ 3.16Å; E23-K125 WeakPolarHBondContact OE2-CD 3.35Å; E23-K125 WeakPolarHBondContact OE2-CE 3.48Å; E23-K125 IonicContact OE2-NZ 3.24Å; E23-K125 PolarHBondContact OE2-NZ 3Å; E23-L127 VanDerWaalsContact OE1-CD1 3.25Å; E23-L127 WeakPolarHBondContact OE1-CD1 3.36Å; E23-L127 VanDerWaalsContact OE2-CD1 3.25Å; E23-L127 WeakPolarHBondContact OE2-CD1 3.17Å
24	V	82.2	Confident	69.9	Low	3 Å²	3	111.7 Å²	111.7	2%	0.018	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	143.9	-178.9	169.9	0	0	0	0	112.2	V41 R42 W43 L59 C62 V65 K125	V24-V41 HydrophobicContact CB-CG1 4.08Å; V24-V41 HydrophobicContact CG1-CG1 3.43Å; V24-V41 VanDerWaalsContact CG1-CG1 3.43Å; V24-V41 HydrophobicContact CG2-CG1 3.6Å; V24-R42 CarbonylContact C-O 3.57Å; V24-R42 WeakPolarHBondContact CA-O 3.42Å; V24-W43 HydrophobicContact CG2-CE3 4Å; V24-W43 HydrophobicContact CG2-CH2 4.04Å; V24-W43 HydrophobicContact CG2-CZ3 3.48Å; V24-W43 VanDerWaalsContact CG2-CZ3 3.48Å; V24-L59 HydrophobicContact CG2-CD2 4.14Å; V24-C62 HydrophobicContact CB-CB 4.1Å; V24-C62 HydrophobicContact CG1-CB 4.45Å; V24-C62 HydrophobicContact CG2-CB 4.1Å; V24-C62 VanDerWaalsContact CG2-SG 3.58Å; V24-V65 HydrophobicContact CG1-CG1 4.33Å; V24-K125 WeakPolarHBondContact O-CD 3.34Å; V24-K125 WeakPolarHBondContact O-CE 3.27Å; V24-K125 PolarHBondContact O-NZ 3.24Å
25	E	82.6	Confident	71.3	Confident	30 Å²	30	106.3 Å²	106.3	14%	0.14	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-63.3	-171	-123.1	-159	-32.8	0	0	115.9	R42 K44 P124 K125	E25-R42 HydrophobicContact CB-CB 3.52Å; E25-R42 HydrophobicContact CB-CG 3.71Å; E25-R42 PolarHBondContact N-O 3.17Å; E25-K44 HydrophobicContact CG-CB 3.83Å; E25-K44 HydrophobicContact CG-CG 3.95Å; E25-K44 WeakPolarHBondContact OE1-CA 3.45Å; E25-P124 VanDerWaalsContact CD-CB 3.5Å; E25-P124 HydrophobicContact CG-CB 4.4Å; E25-P124 CarbonylContact O-C 3.5Å; E25-P124 VanDerWaalsContact OE2-CA 3.31Å; E25-P124 WeakPolarHBondContact OE2-CA 3.42Å; E25-P124 WeakPolarHBondContact OE2-CB 3.39Å; E25-K125 HydrophobicContact CB-CB 4.5Å; E25-K125 HydrophobicContact CG-CB 3.41Å; E25-K125 VanDerWaalsContact CG-CB 3.41Å; E25-K125 HydrophobicContact CG-CD 4.13Å; E25-K125 HydrophobicContact CG-CG 3.81Å; E25-K125 VanDerWaalsContact CG-N 3.34Å; E25-K125 WeakPolarHBondContact O-CG 3.25Å; E25-K125 PolarHBondContact OE2-N 3.25Å
26	R	84.2	Confident	73.2	Confident	117 Å²	117	103.5 Å²	103.5	44%	0.442	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	-167.7	147	97.8	-110.8	161.9	179.3	-22.6	110.4	R42 V65 E123 P124	R26-R42 PolarHBondContact O-N 3.28Å; R26-R42 VanDerWaalsContact O-N 3.11Å; R26-V65 HydrophobicContact CB-CG1 4.08Å; R26-E123 HydrophobicContact CB-CB 4.11Å; R26-E123 HydrophobicContact CB-CG 4.48Å; R26-E123 HydrophobicContact CG-CB 3.61Å; R26-E123 HydrophobicContact CG-CG 3.68Å; R26-E123 VanDerWaalsContact CZ-CD 3.49Å; R26-E123 IonicContact CZ-OE1 3.83Å; R26-E123 IonicContact CZ-OE2 3.16Å; R26-E123 VanDerWaalsContact CZ-OE2 3.28Å; R26-E123 IonicContact NE-OE1 2.76Å; R26-E123 IonicContact NE-OE2 3.49Å; R26-E123 PolarHBondContact NE-OE2 3.35Å; R26-E123 IonicContact NH2-OE1 2.94Å; R26-E123 PolarHBondContact NH2-OE1 3.44Å; R26-E123 IonicContact NH2-OE2 3.84Å; R26-E123 PolarHBondContact NH2-OE2 3.44Å; R26-P124 WeakPolarHBondContact CD-O 3.49Å
27	I	88.8	Confident	75.4	Confident	6 Å²	6	98.5 Å²	98.5	3%	0.031	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.1	-178.2	-69.4	171.1	0	0	0	111.2	Y39 R40 V41 L59 V65 L66 F69	I27-Y39 HydrophobicContact CG2-CD1 4.19Å; I27-R40 WeakPolarHBondContact CA-O 3.26Å; I27-R40 WeakPolarHBondContact CG2-O 3.34Å; I27-V41 HydrophobicContact CG1-CG2 4.35Å; I27-L59 HydrophobicContact CD1-CD1 4.48Å; I27-V65 HydrophobicContact CD1-CG1 4.14Å; I27-V65 HydrophobicContact CG1-CG1 4.03Å; I27-L66 HydrophobicContact CD1-CB 4.11Å; I27-L66 HydrophobicContact CD1-CD1 4.44Å; I27-L66 HydrophobicContact CD1-CG 4.23Å; I27-F69 HydrophobicContact CB-CB 4.18Å; I27-F69 HydrophobicContact CB-CD2 4.33Å; I27-F69 HydrophobicContact CB-CG 4.07Å; I27-F69 HydrophobicContact CG2-CB 4.2Å; I27-F69 HydrophobicContact CG2-CD1 3.67Å; I27-F69 HydrophobicContact CG2-CD2 3.97Å; I27-F69 HydrophobicContact CG2-CE1 4.02Å; I27-F69 HydrophobicContact CG2-CE2 4.32Å; I27-F69 HydrophobicContact CG2-CG 3.63Å; I27-F69 HydrophobicContact CG2-CZ 4.32Å; I27-F69 WeakPolarHBondContact O-CD2 3.34Å
28	I	86.8	Confident	77.3	Confident	66 Å²	66	90.1 Å²	90.1	34%	0.338	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-47.9	171	-61.7	176.6	0	0	0	110.6	R40 F69 D122 E123	I28-R40 PolarHBondContact N-O 3.25Å; I28-F69 VanDerWaalsContact C-CE2 3.44Å; I28-F69 WeakPolarHBondContact O-CE2 3.38Å; I28-F69 WeakPolarHBondContact O-CZ 3.28Å; I28-D122 WeakPolarHBondContact CB-OD1 3.11Å; I28-D122 HydrophobicContact CD1-CB 3.87Å; I28-D122 WeakPolarHBondContact CD1-OD1 3.41Å; I28-D122 HydrophobicContact CG1-CB 3.82Å; I28-D122 WeakPolarHBondContact CG1-OD1 3.21Å; I28-D122 PolarHBondContact N-OD1 3Å; I28-E123 HydrophobicContact CB-CG 4.44Å; I28-E123 HydrophobicContact CG1-CG 3.63Å; I28-E123 VanDerWaalsContact CG1-OE1 3.23Å; I28-E123 WeakPolarHBondContact CG1-OE1 3.3Å
29	D	84.8	Confident	79	Confident	56 Å²	56	81.4 Å²	81.4	30%	0.299	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158	-147.1	-155.4	1.8	0	0	0	112.6	Y39 R40 W53	D29-Y39 WeakPolarHBondContact O-CA 3.19Å; D29-R40 HydrophobicContact CB-CB 3.76Å; D29-R40 HydrophobicContact CB-CG 4.35Å; D29-R40 PolarHBondContact O-N 3.5Å; D29-R40 IonicContact OD2-NH1 3.03Å; D29-W53 HydrophobicContact CB-CH2 3.95Å; D29-W53 HydrophobicContact CB-CZ2 4.46Å
30	M	88.9	Confident	80.9	Confident	59 Å²	59	73.8 Å²	73.8	29%	0.291	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	133	-178.7	176.9	-163.3	74.7	0	0	109.9	V37 L38 Y39 F69	M30-V37 HydrophobicContact CG-CG1 3.52Å; M30-V37 HydrophobicContact SD-CG1 3.74Å; M30-L38 WeakPolarHBondContact CA-O 3.43Å; M30-Y39 HydrophobicContact CB-CD1 3.84Å; M30-Y39 HydrophobicContact CB-CE1 3.9Å; M30-Y39 HydrophobicContact CG-CD1 3.85Å; M30-Y39 HydrophobicContact CG-CE1 3.52Å; M30-Y39 HydrophobicContact SD-CD1 4.44Å; M30-Y39 HydrophobicContact SD-CE1 3.55Å; M30-Y39 VanDerWaalsContact SD-CE1 3.55Å; M30-F69 HydrophobicContact CB-CE1 3.78Å; M30-F69 HydrophobicContact CB-CZ 4.49Å
31	R	86.3	Confident	82.7	Confident	63 Å²	63	67.6 Å²	67.6	24%	0.238	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	158.9	175.9	69.2	-165.1	173.4	139.2	16.7	110.2	E33 L38 W53	R31-E33 WeakPolarHBondContact CD-OE1 3.26Å; R31-E33 HydrophobicContact CG-CG 4.23Å; R31-E33 IonicContact CZ-OE1 3.77Å; R31-E33 IonicContact CZ-OE2 3.96Å; R31-E33 IonicContact NE-OE1 3.89Å; R31-E33 IonicContact NE-OE2 2.68Å; R31-E33 IonicContact NH1-OE1 2.59Å; R31-E33 PolarHBondContact NH1-OE1 3.2Å; R31-E33 IonicContact NH1-OE2 3.64Å; R31-E33 PolarHBondContact NH1-OE2 3.35Å; R31-E33 IonicContact NH2-OE1 2.84Å; R31-E33 IonicContact NH2-OE2 3.83Å; R31-E33 PolarHBondContact NH2-OE2 3.37Å; R31-L38 HydrophobicContact CG-CB 4.13Å; R31-L38 PolarHBondContact N-O 3.05Å; R31-L38 VanDerWaalsContact NH2-CD1 3.33Å; R31-L38 PolarHBondContact O-N 3.31Å; R31-W53 HydrophobicContact CB-CH2 4.21Å; R31-W53 HydrophobicContact CB-CZ3 4.07Å; R31-W53 VanDerWaalsContact CD-CZ3 3.43Å; R31-W53 HydrophobicContact CG-CE3 3.91Å; R31-W53 HydrophobicContact CG-CH2 3.88Å; R31-W53 HydrophobicContact CG-CZ3 3.43Å; R31-W53 VanDerWaalsContact CG-CZ3 3.43Å; R31-W53 VanDerWaalsContact NE-CD2 3.32Å
32	V	89.4	Confident	83.9	Confident	95 Å²	95	63.5 Å²	63.5	58%	0.576	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	120.4	171.9	-175.2	0	0	0	0	107.6	E36 V37	V32-E36 VanDerWaalsContact CA-O 3.3Å; V32-E36 WeakPolarHBondContact CA-O 3.37Å; V32-E36 WeakPolarHBondContact CG1-O 3.32Å; V32-V37 HydrophobicContact CG2-CG2 4.37Å
33	E	83.1	Confident	84.7	Confident	86 Å²	86	58.9 Å²	58.9	40%	0.402	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.6	178	-72	-177.5	171.2	0	0	108.7	R31 G35 E36 L38	R31-E33 WeakPolarHBondContact CD-OE1 3.26Å; R31-E33 HydrophobicContact CG-CG 4.23Å; R31-E33 IonicContact CZ-OE1 3.77Å; R31-E33 IonicContact CZ-OE2 3.96Å; R31-E33 IonicContact NE-OE1 3.89Å; R31-E33 IonicContact NE-OE2 2.68Å; R31-E33 IonicContact NH1-OE1 2.59Å; R31-E33 PolarHBondContact NH1-OE1 3.2Å; R31-E33 IonicContact NH1-OE2 3.64Å; R31-E33 PolarHBondContact NH1-OE2 3.35Å; R31-E33 IonicContact NH2-OE1 2.84Å; R31-E33 IonicContact NH2-OE2 3.83Å; R31-E33 PolarHBondContact NH2-OE2 3.37Å; E33-G35 PolarHBondContact O-N 3.11Å; E33-E36 PolarHBondContact N-O 2.8Å; E33-E36 PolarHBondContact O-N 3.08Å; E33-L38 HydrophobicContact CB-CD1 4.32Å
34	E	76	Confident	84.9	Confident	219 Å²	219	59.4 Å²	59.4	100%	1.023	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	-4.9	-176.2	-51.4	-157.3	151.2	0	0	117.7
35	G	75.7	Confident	84.7	Confident	65 Å²	65	66.5 Å²	66.5	67%	0.67	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	131.9	-16.2	-179.5	0	0	0	0	0	112.8	E33	E33-G35 PolarHBondContact O-N 3.11Å
36	E	78.1	Confident	84.5	Confident	137 Å²	137	68.8 Å²	68.8	64%	0.64	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	152	-178.7	-62.3	-177	170.6	0	0	111.5	V32 E33	V32-E36 VanDerWaalsContact CA-O 3.3Å; V32-E36 WeakPolarHBondContact CA-O 3.37Å; V32-E36 WeakPolarHBondContact CG1-O 3.32Å; E33-E36 PolarHBondContact N-O 2.8Å; E33-E36 PolarHBondContact O-N 3.08Å
37	V	87.5	Confident	83.8	Confident	46 Å²	46	66.8 Å²	66.8	28%	0.279	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.2	179.7	-169.1	0	0	0	0	109.2	M30 V32 Y39 E56	M30-V37 HydrophobicContact CG-CG1 3.52Å; M30-V37 HydrophobicContact SD-CG1 3.74Å; V32-V37 HydrophobicContact CG2-CG2 4.37Å; V37-Y39 HydrophobicContact CB-CE2 4.27Å; V37-Y39 HydrophobicContact CG1-CD2 4.45Å; V37-Y39 HydrophobicContact CG1-CE1 4.38Å; V37-Y39 HydrophobicContact CG1-CE2 3.65Å; V37-E56 PolarHBondContact O-N 3.2Å
38	L	87.2	Confident	83.1	Confident	25 Å²	25	69.5 Å²	69.5	13%	0.131	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.3	176.7	-55.9	179.2	0	0	0	109.6	M30 R31 E33 W53 E54 P55	M30-L38 WeakPolarHBondContact CA-O 3.43Å; R31-L38 HydrophobicContact CG-CB 4.13Å; R31-L38 PolarHBondContact N-O 3.05Å; R31-L38 VanDerWaalsContact NH2-CD1 3.33Å; R31-L38 PolarHBondContact O-N 3.31Å; E33-L38 HydrophobicContact CB-CD1 4.32Å; L38-W53 HydrophobicContact CB-CE3 3.9Å; L38-W53 HydrophobicContact CB-CZ3 4.5Å; L38-W53 WeakPolarHBondContact O-CZ3 3.49Å; L38-E54 CarbonylContact C-O 3.13Å; L38-E54 WeakPolarHBondContact CA-O 3.19Å; L38-P55 HydrophobicContact CD2-CB 3.94Å
39	Y	89	Confident	82.5	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.016	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	161.6	175.6	-62.8	-87.9	0	0	0	111.1	I27 D29 M30 V37 W53 E54 E56 L59 L66 F69 K70	I27-Y39 HydrophobicContact CG2-CD1 4.19Å; D29-Y39 WeakPolarHBondContact O-CA 3.19Å; M30-Y39 HydrophobicContact CB-CD1 3.84Å; M30-Y39 HydrophobicContact CB-CE1 3.9Å; M30-Y39 HydrophobicContact CG-CD1 3.85Å; M30-Y39 HydrophobicContact CG-CE1 3.52Å; M30-Y39 HydrophobicContact SD-CD1 4.44Å; M30-Y39 HydrophobicContact SD-CE1 3.55Å; M30-Y39 VanDerWaalsContact SD-CE1 3.55Å; V37-Y39 HydrophobicContact CB-CE2 4.27Å; V37-Y39 HydrophobicContact CG1-CD2 4.45Å; V37-Y39 HydrophobicContact CG1-CE1 4.38Å; V37-Y39 HydrophobicContact CG1-CE2 3.65Å; Y39-W53 CarbonylContact O-C 3.54Å; Y39-W53 VanDerWaalsContact O-CA 3.23Å; Y39-W53 WeakPolarHBondContact O-CA 3.45Å; Y39-E54 PolarHBondContact N-O 2.92Å; Y39-E54 PolarHBondContact O-N 3.25Å; Y39-E56 HydrophobicContact CD2-CB 4.44Å; Y39-E56 HydrophobicContact CE2-CB 3.85Å; Y39-E56 HydrophobicContact CE2-CG 3.83Å; Y39-E56 WeakPolarHBondContact CE2-OE2 3.19Å; Y39-E56 VanDerWaalsContact CZ-OE2 3.29Å; Y39-E56 PolarHBondContact OH-OE2 2.94Å; Y39-L59 HydrophobicContact CD2-CD1 4.11Å; Y39-L59 HydrophobicContact CG-CD1 4.21Å; Y39-L66 HydrophobicContact CD1-CG 4.48Å; Y39-L66 HydrophobicContact CD2-CD1 3.88Å; Y39-L66 HydrophobicContact CE1-CD2 4.42Å; Y39-L66 HydrophobicContact CE1-CG 4.28Å; Y39-L66 HydrophobicContact CE2-CD1 3.92Å; Y39-L66 HydrophobicContact CE2-CD2 4.37Å; Y39-L66 HydrophobicContact CE2-CG 4.35Å; Y39-L66 HydrophobicContact CG-CD1 4.24Å; Y39-F69 HydrophobicContact CD1-CD1 4.21Å; Y39-F69 HydrophobicContact CD1-CE1 4.41Å; Y39-F69 HydrophobicContact CE1-CD1 4.27Å; Y39-K70 WeakPolarHBondContact OH-CE 3.36Å
40	R	89.8	Confident	82.2	Confident	27 Å²	27	72 Å²	72	10%	0.102	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.2	-173.9	-158.2	-167	163.2	-153.5	-35.5	110.5	I27 I28 D29 T52 W53 R121 D122	I27-R40 WeakPolarHBondContact CA-O 3.26Å; I27-R40 WeakPolarHBondContact CG2-O 3.34Å; I28-R40 PolarHBondContact N-O 3.25Å; D29-R40 HydrophobicContact CB-CB 3.76Å; D29-R40 HydrophobicContact CB-CG 4.35Å; D29-R40 PolarHBondContact O-N 3.5Å; D29-R40 IonicContact OD2-NH1 3.03Å; R40-T52 VanDerWaalsContact CA-O 3.32Å; R40-T52 WeakPolarHBondContact CA-O 3.4Å; R40-W53 HydrophobicContact CB-CD2 4.04Å; R40-W53 HydrophobicContact CB-CE3 3.99Å; R40-W53 HydrophobicContact CB-CH2 3.85Å; R40-W53 HydrophobicContact CB-CZ2 3.87Å; R40-W53 HydrophobicContact CB-CZ3 3.87Å; R40-W53 HydrophobicContact CG-CD2 3.95Å; R40-W53 VanDerWaalsContact CG-CE2 3.46Å; R40-W53 HydrophobicContact CG-CE3 4.4Å; R40-W53 HydrophobicContact CG-CG 4.45Å; R40-W53 HydrophobicContact CG-CH2 4.14Å; R40-W53 HydrophobicContact CG-CZ2 3.63Å; R40-W53 HydrophobicContact CG-CZ3 4.46Å; R40-R121 PolarHBondContact NH2-O 2.74Å; R40-D122 VanDerWaalsContact CB-OD1 3.31Å; R40-D122 WeakPolarHBondContact CB-OD1 3.38Å; R40-D122 WeakPolarHBondContact CD-OD1 3.37Å; R40-D122 VanDerWaalsContact CD-OD2 3.24Å; R40-D122 WeakPolarHBondContact CD-OD2 3.24Å; R40-D122 VanDerWaalsContact CG-CG 3.43Å; R40-D122 WeakPolarHBondContact CG-OD1 3.26Å; R40-D122 VanDerWaalsContact CG-OD2 3.24Å; R40-D122 WeakPolarHBondContact CG-OD2 3.22Å; R40-D122 IonicContact CZ-OD1 2.72Å; R40-D122 IonicContact CZ-OD2 2.82Å; R40-D122 VanDerWaalsContact NE-CG 3.34Å; R40-D122 IonicContact NE-OD1 2.83Å; R40-D122 PolarHBondContact NE-OD1 3.2Å; R40-D122 IonicContact NE-OD2 3.19Å; R40-D122 PolarHBondContact NE-OD2 2.79Å; R40-D122 IonicContact NH2-OD1 3.6Å; R40-D122 IonicContact NH2-OD2 3.92Å; R40-D122 PolarHBondContact NH2-OD2 2.81Å
41	V	90	Very high	82	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	115.1	-145.1	-170.6	0	0	0	0	113.5	V24 I27 W43 D51 T52 L59	V24-V41 HydrophobicContact CB-CG1 4.08Å; V24-V41 HydrophobicContact CG1-CG1 3.43Å; V24-V41 VanDerWaalsContact CG1-CG1 3.43Å; V24-V41 HydrophobicContact CG2-CG1 3.6Å; I27-V41 HydrophobicContact CG1-CG2 4.35Å; V41-W43 HydrophobicContact CG1-CZ2 4.48Å; V41-D51 CarbonylContact O-C 3.58Å; V41-D51 VanDerWaalsContact O-C 3.25Å; V41-D51 WeakPolarHBondContact O-CA 3.37Å; V41-D51 WeakPolarHBondContact O-CB 3.42Å; V41-T52 PolarHBondContact N-O 3.03Å; V41-T52 PolarHBondContact O-N 3.44Å; V41-L59 HydrophobicContact CG1-CD2 4.15Å; V41-L59 HydrophobicContact CG2-CD1 3.91Å; V41-L59 HydrophobicContact CG2-CD2 4.13Å
42	R	86.7	Confident	82	Confident	38 Å²	38	68.2 Å²	68.2	14%	0.143	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	143.4	169	-168.7	132.7	-74	133.5	11.5	110.2	V24 E25 R26 Y46 D51 D122 E123	V24-R42 CarbonylContact C-O 3.57Å; V24-R42 WeakPolarHBondContact CA-O 3.42Å; E25-R42 HydrophobicContact CB-CB 3.52Å; E25-R42 HydrophobicContact CB-CG 3.71Å; E25-R42 PolarHBondContact N-O 3.17Å; R26-R42 PolarHBondContact O-N 3.28Å; R26-R42 VanDerWaalsContact O-N 3.11Å; R42-Y46 PolarHBondContact NE-O 2.89Å; R42-D51 WeakPolarHBondContact CA-OD1 3.14Å; R42-D51 VanDerWaalsContact CG-OD1 3.25Å; R42-D51 WeakPolarHBondContact CG-OD1 3.15Å; R42-D51 IonicContact CZ-OD1 2.61Å; R42-D51 IonicContact CZ-OD2 3.44Å; R42-D51 IonicContact NE-OD1 3.51Å; R42-D51 PolarHBondContact NE-OD1 3.47Å; R42-D51 IonicContact NE-OD2 2.74Å; R42-D51 PolarHBondContact NE-OD2 2.74Å; R42-D51 IonicContact NH2-OD1 3.59Å; R42-D51 IonicContact NH2-OD2 2.75Å; R42-D51 PolarHBondContact NH2-OD2 2.85Å; R42-D122 WeakPolarHBondContact CA-O 3.4Å; R42-D122 WeakPolarHBondContact CB-O 3.31Å; R42-D122 VanDerWaalsContact CD-O 3.27Å; R42-D122 WeakPolarHBondContact CD-O 3.4Å; R42-D122 VanDerWaalsContact CG-O 3.27Å; R42-D122 WeakPolarHBondContact CG-O 3.25Å; R42-D122 PolarHBondContact NE-O 3.38Å; R42-D122 PolarHBondContact NH1-O 3.49Å; R42-D122 PolarHBondContact NH2-O 2.91Å; R42-E123 HydrophobicContact CB-CB 3.87Å; R42-E123 WeakPolarHBondContact CD-O 3.47Å; R42-E123 PolarHBondContact NH1-O 2.85Å
43	W	85.3	Confident	82	Confident	42 Å²	42	65.6 Å²	65.6	16%	0.159	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	134.6	158.2	-51.8	106	0	0	0	110.5	Y22 V24 V41 N45 Y46 T52 E54	Y22-W43 WeakPolarHBondContact O-CZ3 3.35Å; V24-W43 HydrophobicContact CG2-CE3 4Å; V24-W43 HydrophobicContact CG2-CH2 4.04Å; V24-W43 HydrophobicContact CG2-CZ3 3.48Å; V24-W43 VanDerWaalsContact CG2-CZ3 3.48Å; V41-W43 HydrophobicContact CG1-CZ2 4.48Å; W43-N45 PolarHBondContact O-N 3.18Å; W43-Y46 HydrophobicContact CB-CD2 3.47Å; W43-Y46 VanDerWaalsContact CB-CD2 3.47Å; W43-Y46 HydrophobicContact CB-CE2 4.18Å; W43-Y46 HydrophobicContact CB-CG 4.01Å; W43-Y46 WeakPolarHBondContact O-CB 3.25Å; W43-Y46 PolarHBondContact O-N 2.9Å; W43-Y46 VanDerWaalsContact O-N 3.1Å; W43-T52 PolarHBondContact NE1-OG1 3.4Å; W43-E54 HydrophobicContact CZ2-CG 4.35Å
44	K	81.2	Confident	82.1	Confident	64 Å²	64	63.3 Å²	63.3	28%	0.278	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	133.7	-175.5	-166.1	-158.2	-145.1	157.1	0	112.4	E23 E25 Y46	E23-K44 HydrophobicContact CG-CB 4.17Å; E23-K44 HydrophobicContact CG-CD 3.99Å; E23-K44 WeakPolarHBondContact O-CB 3.18Å; E23-K44 PolarHBondContact O-N 2.93Å; E23-K44 IonicContact OE1-NZ 2.65Å; E23-K44 PolarHBondContact OE1-NZ 2.9Å; E23-K44 WeakPolarHBondContact OE2-CD 3.36Å; E23-K44 WeakPolarHBondContact OE2-CE 3.48Å; E23-K44 IonicContact OE2-NZ 3.13Å; E23-K44 PolarHBondContact OE2-NZ 3.16Å; E25-K44 HydrophobicContact CG-CB 3.83Å; E25-K44 HydrophobicContact CG-CG 3.95Å; E25-K44 WeakPolarHBondContact OE1-CA 3.45Å; K44-Y46 WeakPolarHBondContact O-CD2 3.28Å; K44-Y46 PolarHBondContact O-N 2.92Å
45	N	76.5	Confident	82.5	Confident	151 Å²	151	54.4 Å²	54.4	81%	0.807	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	2.3	-178.4	-47.3	-41.9	0	0	0	115.9	W43	W43-N45 PolarHBondContact O-N 3.18Å
46	Y	78.4	Confident	82.8	Confident	79 Å²	79	54.9 Å²	54.9	31%	0.31	28%	0.281	S	S	.	.			trans	-88.4	163.3	176.7	-72.3	-90.8	0	0	0	113.1	Y22 R42 W43 K44 D50	Y22-Y46 AromaticContact CD1-CE2 3.91Å; Y22-Y46 HydrophobicContact CD1-CE2 3.91Å; Y22-Y46 HydrophobicContact CE1-CE1 4.2Å; Y22-Y46 AromaticContact CE1-CE2 3.82Å; Y22-Y46 HydrophobicContact CE1-CE2 3.82Å; Y22-Y46 AromaticContact CE1-CZ 3.46Å; Y22-Y46 VanDerWaalsContact CE1-CZ 3.46Å; Y22-Y46 WeakPolarHBondContact CE1-OH 3.26Å; Y22-Y46 PolarHBondContact OH-OH 3.27Å; R42-Y46 PolarHBondContact NE-O 2.89Å; W43-Y46 HydrophobicContact CB-CD2 3.47Å; W43-Y46 VanDerWaalsContact CB-CD2 3.47Å; W43-Y46 HydrophobicContact CB-CE2 4.18Å; W43-Y46 HydrophobicContact CB-CG 4.01Å; W43-Y46 WeakPolarHBondContact O-CB 3.25Å; W43-Y46 PolarHBondContact O-N 2.9Å; W43-Y46 VanDerWaalsContact O-N 3.1Å; K44-Y46 WeakPolarHBondContact O-CD2 3.28Å; K44-Y46 PolarHBondContact O-N 2.92Å; Y46-D50 HydrophobicContact CD1-CB 4.15Å; Y46-D50 HydrophobicContact CG-CB 4.34Å
47	C	69.9	Low	82.8	Confident	75 Å²	75	51.4 Å²	51.4	51%	0.507	28%	0.275	S	S	.	.			trans	-89.4	171	-173.9	-157	0	0	0	0	112.2	D49 D50	C47-D49 PolarHBondContact O-N 3.14Å; C47-D50 WeakPolarHBondContact CB-OD2 3.43Å; C47-D50 PolarHBondContact N-OD2 3.31Å; C47-D50 PolarHBondContact O-N 2.78Å
48	S	74.7	Confident	82.3	Confident	62 Å²	62	55.2 Å²	55.2	43%	0.434	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	16.8	179	66.4	0	0	0	0	116.6	R120 R121	S48-R120 CarbonylContact O-C 3.55Å; S48-R121 WeakPolarHBondContact O-CA 3.35Å; S48-R121 WeakPolarHBondContact O-CB 3.15Å; S48-R121 PolarHBondContact O-N 2.75Å
49	D	74.4	Confident	81.7	Confident	109 Å²	109	54.2 Å²	54.2	58%	0.583	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	0	175.5	-57.6	-24.1	0	0	0	111.4	C47 R121	C47-D49 PolarHBondContact O-N 3.14Å; D49-R121 WeakPolarHBondContact O-CD 3.3Å; D49-R121 PolarHBondContact O-NH1 3.49Å
50	D	77.6	Confident	80.7	Confident	66 Å²	66	60.7 Å²	60.7	35%	0.353	32%	0.315	S	S	.	.			trans	-113.3	-6.6	-167.2	-65.5	-47.3	0	0	0	117.3	Y46 C47 R121	Y46-D50 HydrophobicContact CD1-CB 4.15Å; Y46-D50 HydrophobicContact CG-CB 4.34Å; C47-D50 WeakPolarHBondContact CB-OD2 3.43Å; C47-D50 PolarHBondContact N-OD2 3.31Å; C47-D50 PolarHBondContact O-N 2.78Å; D50-R121 VanDerWaalsContact C-NH1 3.27Å; D50-R121 VanDerWaalsContact C-NH2 3.27Å; D50-R121 VanDerWaalsContact CA-NH1 3.27Å; D50-R121 PolarHBondContact O-NH1 3.42Å; D50-R121 PolarHBondContact O-NH2 3.32Å
51	D	85.8	Confident	79.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.353	C	S	.	.			trans	-92.5	109.8	-164	-39.9	-66.6	0	0	0	115.4	V41 R42 R121 D122	V41-D51 CarbonylContact O-C 3.58Å; V41-D51 VanDerWaalsContact O-C 3.25Å; V41-D51 WeakPolarHBondContact O-CA 3.37Å; V41-D51 WeakPolarHBondContact O-CB 3.42Å; R42-D51 WeakPolarHBondContact CA-OD1 3.14Å; R42-D51 VanDerWaalsContact CG-OD1 3.25Å; R42-D51 WeakPolarHBondContact CG-OD1 3.15Å; R42-D51 IonicContact CZ-OD1 2.61Å; R42-D51 IonicContact CZ-OD2 3.44Å; R42-D51 IonicContact NE-OD1 3.51Å; R42-D51 PolarHBondContact NE-OD1 3.47Å; R42-D51 IonicContact NE-OD2 2.74Å; R42-D51 PolarHBondContact NE-OD2 2.74Å; R42-D51 IonicContact NH2-OD1 3.59Å; R42-D51 IonicContact NH2-OD2 2.75Å; R42-D51 PolarHBondContact NH2-OD2 2.85Å; D51-R121 HydrophobicContact CB-CB 3.63Å; D51-R121 HydrophobicContact CB-CG 4.21Å; D51-R121 VanDerWaalsContact N-CZ 3.26Å; D51-R121 WeakPolarHBondContact O-CD 3.31Å; D51-R121 WeakPolarHBondContact O-CG 3.42Å; D51-R121 PolarHBondContact O-NE 3.16Å; D51-R121 WeakPolarHBondContact OD2-CB 3.22Å; D51-D122 HydrophobicContact CB-CB 3.6Å; D51-D122 VanDerWaalsContact CG-N 3.3Å; D51-D122 PolarHBondContact OD2-N 2.86Å
52	T	85.9	Confident	79.2	Confident	43 Å²	43	69 Å²	69	26%	0.264	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	171	-156	-28.6	0	0	0	0	116.3	R40 V41 W43 E54 R121	R40-T52 VanDerWaalsContact CA-O 3.32Å; R40-T52 WeakPolarHBondContact CA-O 3.4Å; V41-T52 PolarHBondContact N-O 3.03Å; V41-T52 PolarHBondContact O-N 3.44Å; W43-T52 PolarHBondContact NE1-OG1 3.4Å; T52-E54 VanDerWaalsContact CB-OE1 3.23Å; T52-E54 WeakPolarHBondContact CB-OE1 3.33Å; T52-E54 WeakPolarHBondContact CG2-OE1 3.12Å; T52-R121 VanDerWaalsContact CA-NH2 3.26Å; T52-R121 PolarHBondContact OG1-NH2 3.1Å
53	W	88.4	Confident	78.6	Confident	39 Å²	39	71.6 Å²	71.6	15%	0.148	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	99.3	167.7	-79.8	87.1	0	0	0	110.3	D29 R31 L38 Y39 R40 R120	D29-W53 HydrophobicContact CB-CH2 3.95Å; D29-W53 HydrophobicContact CB-CZ2 4.46Å; R31-W53 HydrophobicContact CB-CH2 4.21Å; R31-W53 HydrophobicContact CB-CZ3 4.07Å; R31-W53 VanDerWaalsContact CD-CZ3 3.43Å; R31-W53 HydrophobicContact CG-CE3 3.91Å; R31-W53 HydrophobicContact CG-CH2 3.88Å; R31-W53 HydrophobicContact CG-CZ3 3.43Å; R31-W53 VanDerWaalsContact CG-CZ3 3.43Å; R31-W53 VanDerWaalsContact NE-CD2 3.32Å; L38-W53 HydrophobicContact CB-CE3 3.9Å; L38-W53 HydrophobicContact CB-CZ3 4.5Å; L38-W53 WeakPolarHBondContact O-CZ3 3.49Å; Y39-W53 CarbonylContact O-C 3.54Å; Y39-W53 VanDerWaalsContact O-CA 3.23Å; Y39-W53 WeakPolarHBondContact O-CA 3.45Å; R40-W53 HydrophobicContact CB-CD2 4.04Å; R40-W53 HydrophobicContact CB-CE3 3.99Å; R40-W53 HydrophobicContact CB-CH2 3.85Å; R40-W53 HydrophobicContact CB-CZ2 3.87Å; R40-W53 HydrophobicContact CB-CZ3 3.87Å; R40-W53 HydrophobicContact CG-CD2 3.95Å; R40-W53 VanDerWaalsContact CG-CE2 3.46Å; R40-W53 HydrophobicContact CG-CE3 4.4Å; R40-W53 HydrophobicContact CG-CG 4.45Å; R40-W53 HydrophobicContact CG-CH2 4.14Å; R40-W53 HydrophobicContact CG-CZ2 3.63Å; R40-W53 HydrophobicContact CG-CZ3 4.46Å; W53-R120 VanDerWaalsContact CZ2-NH2 3.26Å
54	E	86.7	Confident	78.5	Confident	39 Å²	39	77.7 Å²	77.7	18%	0.182	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147	-176	-63.3	-50.9	135.6	0	0	111.8	L38 Y39 W43 T52 H58 L59	L38-E54 CarbonylContact C-O 3.13Å; L38-E54 WeakPolarHBondContact CA-O 3.19Å; Y39-E54 PolarHBondContact N-O 2.92Å; Y39-E54 PolarHBondContact O-N 3.25Å; W43-E54 HydrophobicContact CZ2-CG 4.35Å; T52-E54 VanDerWaalsContact CB-OE1 3.23Å; T52-E54 WeakPolarHBondContact CB-OE1 3.33Å; T52-E54 WeakPolarHBondContact CG2-OE1 3.12Å; E54-H58 HydrophobicContact CB-CB 4.11Å; E54-H58 IonicContact OE2-CE1 2.85Å; E54-H58 IonicContact OE2-CG 2.93Å; E54-H58 IonicContact OE2-ND1 2.64Å; E54-H58 PolarHBondContact OE2-ND1 2.79Å; E54-L59 HydrophobicContact CB-CD1 4.23Å; E54-L59 HydrophobicContact CB-CD2 4.46Å; E54-L59 HydrophobicContact CB-CG 4.22Å
55	P	84.9	Confident	78.6	Confident	32 Å²	32	76.2 Å²	76.2	21%	0.208	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	158.8	170.8	32	-36.1	0	0	0	111.5	L38 A57 H58	L38-P55 HydrophobicContact CD2-CB 3.94Å; P55-A57 PolarHBondContact O-N 2.99Å; P55-A57 VanDerWaalsContact O-N 3.11Å; P55-H58 WeakPolarHBondContact CD-ND1 3.4Å; P55-H58 HydrophobicContact CG-CB 4.07Å; P55-H58 PolarHBondContact O-N 3.14Å
56	E	81.3	Confident	78.9	Confident	75 Å²	75	69.1 Å²	69.1	35%	0.35	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-54.4	-33.1	179.7	-160.4	157.1	144.6	0	0	113.1	V37 Y39 H58 L59 L66 K70	V37-E56 PolarHBondContact O-N 3.2Å; Y39-E56 HydrophobicContact CD2-CB 4.44Å; Y39-E56 HydrophobicContact CE2-CB 3.85Å; Y39-E56 HydrophobicContact CE2-CG 3.83Å; Y39-E56 WeakPolarHBondContact CE2-OE2 3.19Å; Y39-E56 VanDerWaalsContact CZ-OE2 3.29Å; Y39-E56 PolarHBondContact OH-OE2 2.94Å; E56-H58 VanDerWaalsContact C-N 3.34Å; E56-H58 PolarHBondContact O-N 3.16Å; E56-L59 PolarHBondContact O-N 3.49Å; E56-L66 HydrophobicContact CG-CD1 4.17Å; E56-L66 HydrophobicContact CG-CD2 4.37Å; E56-K70 IonicContact OE1-NZ 2.61Å; E56-K70 PolarHBondContact OE1-NZ 3.08Å; E56-K70 IonicContact OE2-NZ 2.74Å; E56-K70 PolarHBondContact OE2-NZ 3.24Å
57	A	78.8	Confident	79.3	Confident	63 Å²	63	68.1 Å²	68.1	52%	0.521	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-72.2	-16.6	178.4	0	0	0	0	0	115.1	P55 L59	P55-A57 PolarHBondContact O-N 2.99Å; P55-A57 VanDerWaalsContact O-N 3.11Å; A57-L59 VanDerWaalsContact C-N 3.31Å
58	H	75.7	Confident	80.1	Confident	126 Å²	126	67.2 Å²	67.2	58%	0.583	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-89.5	2	172.1	-72.1	-178	0	0	0	112.4	E54 P55 E56	E54-H58 HydrophobicContact CB-CB 4.11Å; E54-H58 IonicContact OE2-CE1 2.85Å; E54-H58 IonicContact OE2-CG 2.93Å; E54-H58 IonicContact OE2-ND1 2.64Å; E54-H58 PolarHBondContact OE2-ND1 2.79Å; P55-H58 WeakPolarHBondContact CD-ND1 3.4Å; P55-H58 HydrophobicContact CG-CB 4.07Å; P55-H58 PolarHBondContact O-N 3.14Å; E56-H58 VanDerWaalsContact C-N 3.34Å; E56-H58 PolarHBondContact O-N 3.16Å
59	L	75.9	Confident	80.8	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.021	35%	0.347	C	S	.	.			trans	-123	17.4	-174.8	-63.8	171.4	0	0	0	112.5	V24 I27 Y39 V41 E54 E56 A57 C62 H63 L66	V24-L59 HydrophobicContact CG2-CD2 4.14Å; I27-L59 HydrophobicContact CD1-CD1 4.48Å; Y39-L59 HydrophobicContact CD2-CD1 4.11Å; Y39-L59 HydrophobicContact CG-CD1 4.21Å; V41-L59 HydrophobicContact CG1-CD2 4.15Å; V41-L59 HydrophobicContact CG2-CD1 3.91Å; V41-L59 HydrophobicContact CG2-CD2 4.13Å; E54-L59 HydrophobicContact CB-CD1 4.23Å; E54-L59 HydrophobicContact CB-CD2 4.46Å; E54-L59 HydrophobicContact CB-CG 4.22Å; E56-L59 PolarHBondContact O-N 3.49Å; A57-L59 VanDerWaalsContact C-N 3.31Å; L59-C62 CarbonylContact O-C 3.6Å; L59-C62 PolarHBondContact O-N 3.43Å; L59-H63 PolarHBondContact O-N 3.43Å; L59-L66 HydrophobicContact CB-CD1 3.65Å; L59-L66 HydrophobicContact CD1-CD1 3.85Å; L59-L66 HydrophobicContact CG-CD1 4.42Å
60	E	67.4	Low	81.4	Confident	141 Å²	141	63.2 Å²	63.2	66%	0.659	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-61.8	-44	179.1	-63.6	-174.9	-179.7	0	0	111.1	C62 H63	E60-C62 PolarHBondContact O-N 3.29Å; E60-C62 VanDerWaalsContact O-N 3.12Å; E60-H63 VanDerWaalsContact O-CB 3.28Å; E60-H63 WeakPolarHBondContact O-CB 3.39Å; E60-H63 PolarHBondContact O-N 3.4Å
61	D	72.8	Confident	81.9	Confident	167 Å²	167	68.5 Å²	68.5	89%	0.893	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-63.7	-17.2	174	-58.5	-37.3	0	0	0	113.8
62	C	74.6	Confident	82	Confident	33 Å²	33	73.1 Å²	73.1	22%	0.223	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-115.9	22.5	-177.8	-69.6	0	0	0	0	112.7	V24 L59 E60 E64 V65 L66	V24-C62 HydrophobicContact CB-CB 4.1Å; V24-C62 HydrophobicContact CG1-CB 4.45Å; V24-C62 HydrophobicContact CG2-CB 4.1Å; V24-C62 VanDerWaalsContact CG2-SG 3.58Å; L59-C62 CarbonylContact O-C 3.6Å; L59-C62 PolarHBondContact O-N 3.43Å; E60-C62 PolarHBondContact O-N 3.29Å; E60-C62 VanDerWaalsContact O-N 3.12Å; C62-E64 VanDerWaalsContact C-N 3.26Å; C62-E64 PolarHBondContact O-N 2.76Å; C62-E64 VanDerWaalsContact O-N 3.11Å; C62-V65 WeakPolarHBondContact O-CB 3.42Å; C62-V65 PolarHBondContact O-N 3.13Å; C62-V65 VanDerWaalsContact O-N 3.1Å; C62-L66 PolarHBondContact O-N 2.82Å
63	H	74.9	Confident	82	Confident	94 Å²	94	74.5 Å²	74.5	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-56.3	-30.2	-171.9	-179.2	-123.6	0	0	0	114.7	L59 E60 V65 L66 L67	L59-H63 PolarHBondContact O-N 3.43Å; E60-H63 VanDerWaalsContact O-CB 3.28Å; E60-H63 WeakPolarHBondContact O-CB 3.39Å; E60-H63 PolarHBondContact O-N 3.4Å; H63-V65 PolarHBondContact O-N 3.45Å; H63-L66 PolarHBondContact O-N 3.03Å; H63-L67 WeakPolarHBondContact O-CG 3.4Å; H63-L67 PolarHBondContact O-N 3.06Å
64	E	82.8	Confident	81.9	Confident	169 Å²	169	75.4 Å²	75.4	79%	0.79	39%	0.388	S	S	*	.	H	α-helix	trans	-62.3	-42.4	176.6	-65	-151.2	136.1	0	0	113.3	C62 L66 L67 A68	C62-E64 VanDerWaalsContact C-N 3.26Å; C62-E64 PolarHBondContact O-N 2.76Å; C62-E64 VanDerWaalsContact O-N 3.11Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 2.82Å; E64-L67 PolarHBondContact O-N 3.35Å; E64-A68 WeakPolarHBondContact O-CB 3.11Å; E64-A68 PolarHBondContact O-N 2.98Å
65	V	84.3	Confident	81.9	Confident	34 Å²	34	78.2 Å²	78.2	21%	0.206	40%	0.401	C	S	.	.	H	α-helix	trans	-62.8	-41.8	176.4	177.6	0	0	0	0	109.9	V24 R26 I27 C62 H63 A68 F69	V24-V65 HydrophobicContact CG1-CG1 4.33Å; R26-V65 HydrophobicContact CB-CG1 4.08Å; I27-V65 HydrophobicContact CD1-CG1 4.14Å; I27-V65 HydrophobicContact CG1-CG1 4.03Å; C62-V65 WeakPolarHBondContact O-CB 3.42Å; C62-V65 PolarHBondContact O-N 3.13Å; C62-V65 VanDerWaalsContact O-N 3.1Å; H63-V65 PolarHBondContact O-N 3.45Å; V65-A68 PolarHBondContact O-N 2.97Å; V65-F69 PolarHBondContact O-N 3.25Å
66	L	82.9	Confident	81.8	Confident	2 Å²	2	80.5 Å²	80.5	1%	0.01	41%	0.412	C	S	.	.	H	α-helix	trans	-68.4	-37.7	-179.9	-161.7	149.8	0	0	0	111.7	I27 Y39 E56 L59 C62 H63 E64 K70	I27-L66 HydrophobicContact CD1-CB 4.11Å; I27-L66 HydrophobicContact CD1-CD1 4.44Å; I27-L66 HydrophobicContact CD1-CG 4.23Å; Y39-L66 HydrophobicContact CD1-CG 4.48Å; Y39-L66 HydrophobicContact CD2-CD1 3.88Å; Y39-L66 HydrophobicContact CE1-CD2 4.42Å; Y39-L66 HydrophobicContact CE1-CG 4.28Å; Y39-L66 HydrophobicContact CE2-CD1 3.92Å; Y39-L66 HydrophobicContact CE2-CD2 4.37Å; Y39-L66 HydrophobicContact CE2-CG 4.35Å; Y39-L66 HydrophobicContact CG-CD1 4.24Å; E56-L66 HydrophobicContact CG-CD1 4.17Å; E56-L66 HydrophobicContact CG-CD2 4.37Å; L59-L66 HydrophobicContact CB-CD1 3.65Å; L59-L66 HydrophobicContact CD1-CD1 3.85Å; L59-L66 HydrophobicContact CG-CD1 4.42Å; C62-L66 PolarHBondContact O-N 2.82Å; H63-L66 PolarHBondContact O-N 3.03Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 2.82Å; L66-K70 HydrophobicContact CD2-CD 3.8Å; L66-K70 HydrophobicContact CD2-CG 4.44Å; L66-K70 WeakPolarHBondContact O-CB 3.18Å; L66-K70 WeakPolarHBondContact O-CG 3.31Å; L66-K70 PolarHBondContact O-N 2.76Å
67	L	85.6	Confident	81.9	Confident	58 Å²	58	84.1 Å²	84.1	30%	0.304	43%	0.426	S	S	.	.	H	α-helix	trans	-65.7	-43.1	169.7	-74.4	177.9	0	0	0	112.6	H63 E64 F69 K70 R71	H63-L67 WeakPolarHBondContact O-CG 3.4Å; H63-L67 PolarHBondContact O-N 3.06Å; E64-L67 PolarHBondContact O-N 3.35Å; L67-F69 VanDerWaalsContact C-N 3.32Å; L67-F69 PolarHBondContact O-N 2.94Å; L67-K70 PolarHBondContact O-N 2.69Å; L67-R71 VanDerWaalsContact O-CG 3.28Å; L67-R71 WeakPolarHBondContact O-CG 2.95Å; L67-R71 PolarHBondContact O-N 3.21Å
68	A	86.9	Confident	81.9	Confident	55 Å²	55	83.9 Å²	83.9	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-60.8	-43.3	176.6	0	0	0	0	0	111.2	E64 V65 R71 H72	E64-A68 WeakPolarHBondContact O-CB 3.11Å; E64-A68 PolarHBondContact O-N 2.98Å; V65-A68 PolarHBondContact O-N 2.97Å; A68-R71 PolarHBondContact O-N 2.83Å; A68-H72 PolarHBondContact O-N 2.87Å; A68-H72 VanDerWaalsContact O-N 3.08Å
69	F	88.6	Confident	82.2	Confident	21 Å²	21	82.8 Å²	82.8	9%	0.092	42%	0.418	C	S	.	.	H	α-helix	trans	-62.8	-48.1	174.6	-177.7	-107.2	0	0	0	112.8	I27 I28 M30 Y39 V65 L67 R71 H72 Q73	I27-F69 HydrophobicContact CB-CB 4.18Å; I27-F69 HydrophobicContact CB-CD2 4.33Å; I27-F69 HydrophobicContact CB-CG 4.07Å; I27-F69 HydrophobicContact CG2-CB 4.2Å; I27-F69 HydrophobicContact CG2-CD1 3.67Å; I27-F69 HydrophobicContact CG2-CD2 3.97Å; I27-F69 HydrophobicContact CG2-CE1 4.02Å; I27-F69 HydrophobicContact CG2-CE2 4.32Å; I27-F69 HydrophobicContact CG2-CG 3.63Å; I27-F69 HydrophobicContact CG2-CZ 4.32Å; I27-F69 WeakPolarHBondContact O-CD2 3.34Å; I28-F69 VanDerWaalsContact C-CE2 3.44Å; I28-F69 WeakPolarHBondContact O-CE2 3.38Å; I28-F69 WeakPolarHBondContact O-CZ 3.28Å; M30-F69 HydrophobicContact CB-CE1 3.78Å; M30-F69 HydrophobicContact CB-CZ 4.49Å; Y39-F69 HydrophobicContact CD1-CD1 4.21Å; Y39-F69 HydrophobicContact CD1-CE1 4.41Å; Y39-F69 HydrophobicContact CE1-CD1 4.27Å; V65-F69 PolarHBondContact O-N 3.25Å; L67-F69 VanDerWaalsContact C-N 3.32Å; L67-F69 PolarHBondContact O-N 2.94Å; F69-R71 VanDerWaalsContact C-N 3.29Å; F69-R71 PolarHBondContact O-N 3.45Å; F69-H72 PolarHBondContact O-N 2.81Å; F69-H72 VanDerWaalsContact O-N 3.13Å; F69-Q73 HydrophobicContact CD1-CG 4.29Å; F69-Q73 HydrophobicContact CE1-CG 3.67Å; F69-Q73 HydrophobicContact CE2-CG 4.19Å; F69-Q73 HydrophobicContact CZ-CG 3.62Å; F69-Q73 PolarHBondContact O-N 2.65Å
70	K	87.4	Confident	82.1	Confident	66 Å²	66	90.2 Å²	90.2	29%	0.287	45%	0.45	S	S	.	.	H	α-helix	trans	-56.9	-39.7	175.5	-78.7	174.8	176	169.4	0	112.3	Y39 E56 L66 L67 A74	Y39-K70 WeakPolarHBondContact OH-CE 3.36Å; E56-K70 IonicContact OE1-NZ 2.61Å; E56-K70 PolarHBondContact OE1-NZ 3.08Å; E56-K70 IonicContact OE2-NZ 2.74Å; E56-K70 PolarHBondContact OE2-NZ 3.24Å; L66-K70 HydrophobicContact CD2-CD 3.8Å; L66-K70 HydrophobicContact CD2-CG 4.44Å; L66-K70 WeakPolarHBondContact O-CB 3.18Å; L66-K70 WeakPolarHBondContact O-CG 3.31Å; L66-K70 PolarHBondContact O-N 2.76Å; L67-K70 PolarHBondContact O-N 2.69Å; K70-A74 WeakPolarHBondContact O-CB 3.35Å; K70-A74 PolarHBondContact O-N 2.91Å
71	R	87.4	Confident	82.3	Confident	177 Å²	177	88.3 Å²	88.3	67%	0.668	44%	0.441	S	S	*	.	H	α-helix	trans	-63.2	-45.5	174.5	-71.6	168.7	-173.9	167.7	4.6	111.8	L67 A68 F69 A74 E75	L67-R71 VanDerWaalsContact O-CG 3.28Å; L67-R71 WeakPolarHBondContact O-CG 2.95Å; L67-R71 PolarHBondContact O-N 3.21Å; A68-R71 PolarHBondContact O-N 2.83Å; F69-R71 VanDerWaalsContact C-N 3.29Å; F69-R71 PolarHBondContact O-N 3.45Å; R71-A74 PolarHBondContact O-N 2.96Å; R71-E75 PolarHBondContact O-N 3.02Å
72	H	88.8	Confident	81.9	Confident	98 Å²	98	83.4 Å²	83.4	45%	0.454	42%	0.424	S	S	.	.	H	α-helix	trans	-66.2	-40.7	178.7	-174.4	-122.3	0	0	0	112.7	A68 F69 A74 E75 L76	A68-H72 PolarHBondContact O-N 2.87Å; A68-H72 VanDerWaalsContact O-N 3.08Å; F69-H72 PolarHBondContact O-N 2.81Å; F69-H72 VanDerWaalsContact O-N 3.13Å; H72-A74 PolarHBondContact O-N 3.13Å; H72-E75 PolarHBondContact O-N 3.28Å; H72-L76 WeakPolarHBondContact O-CG 3.44Å; H72-L76 PolarHBondContact O-N 3.45Å
73	Q	85.6	Confident	81.5	Confident	72 Å²	72	88.2 Å²	88.2	34%	0.336	44%	0.443	S	S	.	.	H	α-helix	trans	-55.6	-47.3	169.4	-85.7	-105.6	13.8	0	0	111.9	F69 E75 L76 K77	F69-Q73 HydrophobicContact CD1-CG 4.29Å; F69-Q73 HydrophobicContact CE1-CG 3.67Å; F69-Q73 HydrophobicContact CE2-CG 4.19Å; F69-Q73 HydrophobicContact CZ-CG 3.62Å; F69-Q73 PolarHBondContact O-N 2.65Å; Q73-E75 PolarHBondContact O-N 3.11Å; Q73-L76 PolarHBondContact O-N 2.99Å; Q73-K77 WeakPolarHBondContact O-CB 3.45Å; Q73-K77 PolarHBondContact O-N 2.73Å
74	A	85.8	Confident	80.7	Confident	58 Å²	58	88.1 Å²	88.1	48%	0.479	45%	0.453	S	S	.	.	H	α-helix	trans	-62.7	-40.7	177.9	0	0	0	0	0	112.2	K70 R71 H72 K77 A78	K70-A74 WeakPolarHBondContact O-CB 3.35Å; K70-A74 PolarHBondContact O-N 2.91Å; R71-A74 PolarHBondContact O-N 2.96Å; H72-A74 PolarHBondContact O-N 3.13Å; A74-K77 PolarHBondContact O-N 2.84Å; A74-A78 WeakPolarHBondContact O-CB 3.48Å; A74-A78 PolarHBondContact O-N 3.22Å
75	E	87.6	Confident	79.5	Confident	97 Å²	97	86.6 Å²	86.6	45%	0.453	44%	0.443	S	S	.	.	H	α-helix	trans	-67	-41.7	177.4	-158.2	-165.1	157.6	0	0	112.3	R71 H72 Q73 K77 A78 K79	R71-E75 PolarHBondContact O-N 3.02Å; H72-E75 PolarHBondContact O-N 3.28Å; Q73-E75 PolarHBondContact O-N 3.11Å; E75-K77 VanDerWaalsContact C-N 3.34Å; E75-K77 PolarHBondContact O-N 3.48Å; E75-A78 PolarHBondContact O-N 3.19Å; E75-K79 VanDerWaalsContact CD-NZ 3.34Å; E75-K79 HydrophobicContact CG-CD 4.39Å; E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 VanDerWaalsContact O-CG 3.32Å; E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.3Å; E75-K79 WeakPolarHBondContact OE1-CE 3.45Å; E75-K79 IonicContact OE1-NZ 3.05Å; E75-K79 PolarHBondContact OE1-NZ 3.39Å; E75-K79 IonicContact OE2-NZ 3.58Å
76	L	83.6	Confident	77.5	Confident	81 Å²	81	92 Å²	92	42%	0.424	46%	0.464	S	S	.	.	H	α-helix	trans	-64.8	-36.9	173.9	-71.8	176.8	0	0	0	112.2	H72 Q73 K80	H72-L76 WeakPolarHBondContact O-CG 3.44Å; H72-L76 PolarHBondContact O-N 3.45Å; Q73-L76 PolarHBondContact O-N 2.99Å; L76-K80 WeakPolarHBondContact O-CG 3.44Å; L76-K80 PolarHBondContact O-N 3.22Å
77	K	82.9	Confident	75.3	Confident	150 Å²	150	98 Å²	98	65%	0.652	50%	0.504	S	S	*	.	H	α-helix	trans	-66.5	-44.3	174.2	-169.1	175.2	-178.4	179.3	0	111.2	Q73 A74 E75 K80 E81	Q73-K77 WeakPolarHBondContact O-CB 3.45Å; Q73-K77 PolarHBondContact O-N 2.73Å; A74-K77 PolarHBondContact O-N 2.84Å; E75-K77 VanDerWaalsContact C-N 3.34Å; E75-K77 PolarHBondContact O-N 3.48Å; K77-K80 PolarHBondContact O-N 3.11Å; K77-E81 PolarHBondContact O-N 3.03Å
78	A	78.8	Confident	72.9	Confident	58 Å²	58	102 Å²	102	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-63	-41	174.8	0	0	0	0	0	112.3	A74 E75 E81 A82	A74-A78 WeakPolarHBondContact O-CB 3.48Å; A74-A78 PolarHBondContact O-N 3.22Å; E75-A78 PolarHBondContact O-N 3.19Å; A78-E81 PolarHBondContact O-N 3.22Å; A78-A82 WeakPolarHBondContact O-CB 3.28Å; A78-A82 PolarHBondContact O-N 2.84Å
79	K	81.4	Confident	70.5	Confident	104 Å²	104	108 Å²	108	45%	0.452	55%	0.548	S	S	.	.	H	α-helix	trans	-61.1	-45	173.8	-77.3	164.6	172.1	167.1	0	111.7	E75 E81 A82 E83	E75-K79 VanDerWaalsContact CD-NZ 3.34Å; E75-K79 HydrophobicContact CG-CD 4.39Å; E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 VanDerWaalsContact O-CG 3.32Å; E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.3Å; E75-K79 WeakPolarHBondContact OE1-CE 3.45Å; E75-K79 IonicContact OE1-NZ 3.05Å; E75-K79 PolarHBondContact OE1-NZ 3.39Å; E75-K79 IonicContact OE2-NZ 3.58Å; K79-E81 PolarHBondContact O-N 2.9Å; K79-A82 PolarHBondContact O-N 2.97Å; K79-E83 PolarHBondContact O-N 3.29Å
80	K	74.8	Confident	68	Low	160 Å²	160	117.1 Å²	117.1	70%	0.696	59%	0.588	S	S	*	*	H	α-helix	trans	-63.2	-36.8	174.2	-75.8	178	177.6	176	0	113.1	L76 K77 S84	L76-K80 WeakPolarHBondContact O-CG 3.44Å; L76-K80 PolarHBondContact O-N 3.22Å; K77-K80 PolarHBondContact O-N 3.11Å; K80-S84 WeakPolarHBondContact O-CB 3.38Å; K80-S84 PolarHBondContact O-N 3.26Å; K80-S84 VanDerWaalsContact O-N 3.13Å; K80-S84 PolarHBondContact O-OG 2.95Å
81	E	69.8	Low	65.3	Low	100 Å²	100	122.1 Å²	122.1	47%	0.467	62%	0.617	S	S	.	*	H	α-helix	trans	-70.7	-31.4	172	-75.1	-146.4	165	0	0	113.9	K77 A78 K79 S84 K85	K77-E81 PolarHBondContact O-N 3.03Å; A78-E81 PolarHBondContact O-N 3.22Å; K79-E81 PolarHBondContact O-N 2.9Å; E81-S84 PolarHBondContact O-OG 2.88Å; E81-S84 VanDerWaalsContact O-OG 3.13Å; E81-K85 WeakPolarHBondContact O-CD 3.22Å; E81-K85 VanDerWaalsContact O-CG 3.29Å; E81-K85 WeakPolarHBondContact O-CG 3.34Å; E81-K85 PolarHBondContact O-N 3.42Å; E81-K85 IonicContact OE2-NZ 2.73Å; E81-K85 PolarHBondContact OE2-NZ 3.17Å
82	A	66.1	Low	62.8	Low	65 Å²	65	121.6 Å²	121.6	54%	0.537	63%	0.626	S	S	.	*	H	α-helix	trans	-71.9	-37.7	176.4	0	0	0	0	0	111.6	A78 K79 K85	A78-A82 WeakPolarHBondContact O-CB 3.28Å; A78-A82 PolarHBondContact O-N 2.84Å; K79-A82 PolarHBondContact O-N 2.97Å; A82-K85 PolarHBondContact O-N 3.13Å
83	E	65.3	Low	60.6	Low	134 Å²	134	121.7 Å²	121.7	63%	0.626	64%	0.636	S	S	*	*	H	α-helix	trans	-71.1	-36.9	174.9	-66.6	-155.3	115.9	0	0	112.8	K79 K85	K79-E83 PolarHBondContact O-N 3.29Å; E83-K85 PolarHBondContact O-N 3.06Å
84	S	58.6	Low	58	Low	91 Å²	91	125.4 Å²	125.4	64%	0.636	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-8.8	176.9	70.8	0	0	0	0	114.5	K80 E81	K80-S84 WeakPolarHBondContact O-CB 3.38Å; K80-S84 PolarHBondContact O-N 3.26Å; K80-S84 VanDerWaalsContact O-N 3.13Å; K80-S84 PolarHBondContact O-OG 2.95Å; E81-S84 PolarHBondContact O-OG 2.88Å; E81-S84 VanDerWaalsContact O-OG 3.13Å
85	K	56.7	Low	55.5	Low	137 Å²	137	132 Å²	132	60%	0.596	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	10.6	-177.2	-68.8	170.5	-171.1	162	0	114.5	E81 A82 E83 P87	E81-K85 WeakPolarHBondContact O-CD 3.22Å; E81-K85 VanDerWaalsContact O-CG 3.29Å; E81-K85 WeakPolarHBondContact O-CG 3.34Å; E81-K85 PolarHBondContact O-N 3.42Å; E81-K85 IonicContact OE2-NZ 2.73Å; E81-K85 PolarHBondContact OE2-NZ 3.17Å; A82-K85 PolarHBondContact O-N 3.13Å; E83-K85 PolarHBondContact O-N 3.06Å; K85-P87 VanDerWaalsContact O-CD 3.29Å; K85-P87 WeakPolarHBondContact O-CD 3.46Å
86	K	43.7	Very low	52.8	Low	147 Å²	147	131.8 Å²	131.8	64%	0.639	68%	0.683	S	S	*	*			trans	-74	115	169.8	-77.7	175.7	-179.1	161.8	0	111.2	V88	K86-V88 PolarHBondContact O-N 3.32Å
87	P	35	Very low	50.2	Low	130 Å²	130	135.1 Å²	135.1	84%	0.844	70%	0.702	S	S	*	*			trans	-86.3	100.4	179.9	33.6	-31.1	0	0	0	111.2	K85	K85-P87 VanDerWaalsContact O-CD 3.29Å; K85-P87 WeakPolarHBondContact O-CD 3.46Å
88	V	35.3	Very low	47.8	Very low	140 Å²	140	134.2 Å²	134.2	85%	0.848	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-81.6	146.3	165.1	179.7	0	0	0	0	109.8	K86	K86-V88 PolarHBondContact O-N 3.32Å
89	Q	36.8	Very low	45.3	Very low	182 Å²	182	140.4 Å²	140.4	85%	0.85	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-57.1	153	-171.9	-63.3	164.6	-6.3	0	0	113.7	L91	Q89-L91 PolarHBondContact O-N 3.44Å
90	K	36	Very low	42.8	Very low	213 Å²	213	142 Å²	142	93%	0.926	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-53.4	119.8	168.9	-81.9	-176.9	174.9	177.7	0	111.2
91	L	32.3	Very low	40.8	Very low	170 Å²	170	138.4 Å²	138.4	89%	0.89	74%	0.739	S	S	*	*			trans	-140.8	157.4	144.1	-105.3	166.9	0	0	0	109.3	Q89	Q89-L91 PolarHBondContact O-N 3.44Å
92	L	34.4	Very low	38.7	Very low	166 Å²	166	141.3 Å²	141.3	87%	0.869	76%	0.758	S	S	*	*			trans	-83.8	150.4	-167.7	-69.4	167.9	0	0	0	112.3
93	P	41.3	Very low	37.2	Very low	101 Å²	101	142.7 Å²	142.7	66%	0.656	76%	0.763	S	S	*	*			trans	-90.1	176.2	-172.3	37.8	-38.3	0	0	0	113.5
94	I	32.5	Very low	35.3	Very low	150 Å²	150	144.7 Å²	144.7	77%	0.769	77%	0.773	S	S	*	*			trans	78.4	119.2	171	-49.6	166.6	0	0	0	111.2
95	K	32.6	Very low	34	Very low	197 Å²	197	145.4 Å²	145.4	86%	0.857	78%	0.777	S	S	*	*			cis	-156.6	162.6	32	-140.9	157.9	-161.3	-176.9	0	113.3
96	S	29.9	Very low	32.7	Very low	91 Å²	91	146 Å²	146	64%	0.636	79%	0.787	S	S	*	*			trans	-103.1	130.1	165.9	52.8	0	0	0	0	112.1
97	D	30.5	Very low	32	Very low	152 Å²	152	144.3 Å²	144.3	81%	0.813	79%	0.794	S	S	*	*			trans	59.8	-180	138.8	-46.9	-38.1	0	0	0	122.3
98	V	31.6	Very low	31.7	Very low	131 Å²	131	145.9 Å²	145.9	79%	0.794	80%	0.795	S	S	*	*			trans	82.2	116	-153.2	-177.2	0	0	0	0	111.5
99	F	26.2	Very low	31.4	Very low	188 Å²	188	147.3 Å²	147.3	83%	0.825	79%	0.79	S	S	*	*			cis	-134.8	168.6	22	-133.1	-77.1	0	0	0	112.8
100	D	30.1	Very low	31.2	Very low	137 Å²	137	146 Å²	146	73%	0.733	78%	0.784	S	S	*	*			trans	-60.1	159.4	-177.9	-50.2	-114.5	0	0	0	117.7
101	A	31.2	Very low	30.7	Very low	85 Å²	85	147.4 Å²	147.4	70%	0.702	78%	0.783	S	S	*	*				-177.2	129.8	119.2	0	0	0	0	0	115.1
102	D	26.3	Very low	31.2	Very low	161 Å²	161	144.3 Å²	144.3	86%	0.861	77%	0.773	S	S	*	*			trans	67.8	141.8	141.6	-57	-22.6	0	0	0	126.6
103	S	33.9	Very low	30.9	Very low	94 Å²	94	141.7 Å²	141.7	66%	0.657	76%	0.764	S	S	*	*			trans	78.6	102.3	156.1	-80.6	0	0	0	0	123.2
104	E	27.3	Very low	30.4	Very low	176 Å²	176	145.9 Å²	145.9	82%	0.822	78%	0.775	S	S	*	*				57	122.2	122.1	-61.9	160.3	133.9	0	0	118.8
105	S	30.5	Very low	30.2	Very low	105 Å²	105	143.1 Å²	143.1	73%	0.734	78%	0.775	S	S	*	*			cis	-166.4	158.4	49.7	36.7	0	0	0	0	113.5
106	D	28.3	Very low	31	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	77%	0.77	S	S	*	*			trans	20.5	109.2	158.3	-53.1	-22.5	0	0	0	118.6
107	S	29.3	Very low	30.8	Very low	111 Å²	111	140.3 Å²	140.3	78%	0.776	77%	0.772	S	S	*	*			cis	76.4	139.4	40.8	-48.5	0	0	0	0	116.3
108	D	30.3	Very low	30.7	Very low	163 Å²	163	139.3 Å²	139.3	87%	0.872	77%	0.767	S	S	*	*			trans	-63.3	174.8	-175.8	-50.5	-88.3	0	0	0	115.3
109	K	29	Very low	30.7	Very low	171 Å²	171	140.6 Å²	140.6	74%	0.743	76%	0.762	S	S	*	*	S	Bend	trans	-109.6	107	157.2	-164.7	164.4	-174.6	177.4	0	112.8
110	E	31.1	Very low	31.4	Very low	155 Å²	155	136.6 Å²	136.6	72%	0.724	74%	0.741	S	S	*	*			trans	73.3	95.3	148.4	-70.3	160	-164	0	0	120.6
111	R	25.9	Very low	31.6	Very low	242 Å²	242	134 Å²	134	91%	0.913	72%	0.721	S	S	*	*				-25.5	169.4	129.7	-91.7	-170.7	-171.1	-147.2	3.6	116.4
112	P	43.2	Very low	31.9	Very low	104 Å²	104	130 Å²	130	68%	0.675	69%	0.688	S	S	*	*			cis	-144.1	-166.6	21.8	37.7	-14.8	0	0	0	117.8
113	T	28.9	Very low	32.5	Very low	112 Å²	112	123.9 Å²	123.9	69%	0.687	65%	0.654	S	S	*	*			trans	84	100.7	148.1	36.5	0	0	0	0	122.4
114	E	29.1	Very low	33.5	Very low	189 Å²	189	122.3 Å²	122.3	88%	0.883	64%	0.641	S	S	*	*			trans	72	173.6	131.2	-65.2	179.3	-161.2	0	0	119.6
115	A	29.3	Very low	33.6	Very low	92 Å²	92	116.4 Å²	116.4	76%	0.76	61%	0.613	S	S	*	*			trans	-159.2	-177.5	-149	0	0	0	0	0	111.2
116	P	48.6	Very low	35.1	Very low	115 Å²	115	117 Å²	117	75%	0.747	61%	0.614	S	S	*	*			cis	-131.9	-165.1	-12.7	21.2	4.9	0	0	0	113.3
117	V	27.1	Very low	35.5	Very low	114 Å²	114	114.9 Å²	114.9	69%	0.691	60%	0.603	S	S	*	*			trans	101.4	106.5	147.9	-170.6	0	0	0	0	120.1
118	N	27.1	Very low	36.4	Very low	130 Å²	130	115.4 Å²	115.4	70%	0.695	60%	0.603	S	S	*	*			trans	92.7	129.8	139.7	-82.1	-18	0	0	0	125.3
119	K	32.3	Very low	36.4	Very low	159 Å²	159	112.2 Å²	112.2	69%	0.691	60%	0.6	S	S	*	*			trans	72.8	119	145.5	-67.3	171.8	-175.8	-176.9	0	116.4
120	R	40.2	Very low	37.9	Very low	103 Å²	103	109.1 Å²	109.1	39%	0.389	60%	0.597	S	S	.	*				65.2	126.9	87.4	-67.3	-179.5	169.6	166.4	-0.3	110.1	S48 W53	S48-R120 CarbonylContact O-C 3.55Å; W53-R120 VanDerWaalsContact CZ2-NH2 3.26Å
121	R	34	Very low	38	Very low	82 Å²	82	109.9 Å²	109.9	31%	0.309	60%	0.6	S	S	.	*				-158.9	-151.4	83.3	-85.1	165.4	124.3	-165.1	-20	113.3	R40 S48 D49 D50 D51 T52	R40-R121 PolarHBondContact NH2-O 2.74Å; S48-R121 WeakPolarHBondContact O-CA 3.35Å; S48-R121 WeakPolarHBondContact O-CB 3.15Å; S48-R121 PolarHBondContact O-N 2.75Å; D49-R121 WeakPolarHBondContact O-CD 3.3Å; D49-R121 PolarHBondContact O-NH1 3.49Å; D50-R121 VanDerWaalsContact C-NH1 3.27Å; D50-R121 VanDerWaalsContact C-NH2 3.27Å; D50-R121 VanDerWaalsContact CA-NH1 3.27Å; D50-R121 PolarHBondContact O-NH1 3.42Å; D50-R121 PolarHBondContact O-NH2 3.32Å; D51-R121 HydrophobicContact CB-CB 3.63Å; D51-R121 HydrophobicContact CB-CG 4.21Å; D51-R121 VanDerWaalsContact N-CZ 3.26Å; D51-R121 WeakPolarHBondContact O-CD 3.31Å; D51-R121 WeakPolarHBondContact O-CG 3.42Å; D51-R121 PolarHBondContact O-NE 3.16Å; D51-R121 WeakPolarHBondContact OD2-CB 3.22Å; T52-R121 VanDerWaalsContact CA-NH2 3.26Å; T52-R121 PolarHBondContact OG1-NH2 3.1Å
122	D	38.1	Very low	38.5	Very low	1 Å²	1	103.5 Å²	103.5	1%	0.005	59%	0.589	C	S	.	*			trans	-143.8	141	-138.7	-63.7	-120.1	0	0	0	119.9	I28 R40 R42 D51	I28-D122 WeakPolarHBondContact CB-OD1 3.11Å; I28-D122 HydrophobicContact CD1-CB 3.87Å; I28-D122 WeakPolarHBondContact CD1-OD1 3.41Å; I28-D122 HydrophobicContact CG1-CB 3.82Å; I28-D122 WeakPolarHBondContact CG1-OD1 3.21Å; I28-D122 PolarHBondContact N-OD1 3Å; R40-D122 VanDerWaalsContact CB-OD1 3.31Å; R40-D122 WeakPolarHBondContact CB-OD1 3.38Å; R40-D122 WeakPolarHBondContact CD-OD1 3.37Å; R40-D122 VanDerWaalsContact CD-OD2 3.24Å; R40-D122 WeakPolarHBondContact CD-OD2 3.24Å; R40-D122 VanDerWaalsContact CG-CG 3.43Å; R40-D122 WeakPolarHBondContact CG-OD1 3.26Å; R40-D122 VanDerWaalsContact CG-OD2 3.24Å; R40-D122 WeakPolarHBondContact CG-OD2 3.22Å; R40-D122 IonicContact CZ-OD1 2.72Å; R40-D122 IonicContact CZ-OD2 2.82Å; R40-D122 VanDerWaalsContact NE-CG 3.34Å; R40-D122 IonicContact NE-OD1 2.83Å; R40-D122 PolarHBondContact NE-OD1 3.2Å; R40-D122 IonicContact NE-OD2 3.19Å; R40-D122 PolarHBondContact NE-OD2 2.79Å; R40-D122 IonicContact NH2-OD1 3.6Å; R40-D122 IonicContact NH2-OD2 3.92Å; R40-D122 PolarHBondContact NH2-OD2 2.81Å; R42-D122 WeakPolarHBondContact CA-O 3.4Å; R42-D122 WeakPolarHBondContact CB-O 3.31Å; R42-D122 VanDerWaalsContact CD-O 3.27Å; R42-D122 WeakPolarHBondContact CD-O 3.4Å; R42-D122 VanDerWaalsContact CG-O 3.27Å; R42-D122 WeakPolarHBondContact CG-O 3.25Å; R42-D122 PolarHBondContact NE-O 3.38Å; R42-D122 PolarHBondContact NH1-O 3.49Å; R42-D122 PolarHBondContact NH2-O 2.91Å; D51-D122 HydrophobicContact CB-CB 3.6Å; D51-D122 VanDerWaalsContact CG-N 3.3Å; D51-D122 PolarHBondContact OD2-N 2.86Å
123	E	39.6	Very low	38.3	Very low	34 Å²	34	105.8 Å²	105.8	16%	0.159	60%	0.595	C	S	.	*			trans	74	171.6	145.2	-46.8	-48.7	60.5	0	0	129.6	R26 I28 R42	R26-E123 HydrophobicContact CB-CB 4.11Å; R26-E123 HydrophobicContact CB-CG 4.48Å; R26-E123 HydrophobicContact CG-CB 3.61Å; R26-E123 HydrophobicContact CG-CG 3.68Å; R26-E123 VanDerWaalsContact CZ-CD 3.49Å; R26-E123 IonicContact CZ-OE1 3.83Å; R26-E123 IonicContact CZ-OE2 3.16Å; R26-E123 VanDerWaalsContact CZ-OE2 3.28Å; R26-E123 IonicContact NE-OE1 2.76Å; R26-E123 IonicContact NE-OE2 3.49Å; R26-E123 PolarHBondContact NE-OE2 3.35Å; R26-E123 IonicContact NH2-OE1 2.94Å; R26-E123 PolarHBondContact NH2-OE1 3.44Å; R26-E123 IonicContact NH2-OE2 3.84Å; R26-E123 PolarHBondContact NH2-OE2 3.44Å; I28-E123 HydrophobicContact CB-CG 4.44Å; I28-E123 HydrophobicContact CG1-CG 3.63Å; I28-E123 VanDerWaalsContact CG1-OE1 3.23Å; I28-E123 WeakPolarHBondContact CG1-OE1 3.3Å; R42-E123 HydrophobicContact CB-CB 3.87Å; R42-E123 WeakPolarHBondContact CD-O 3.47Å; R42-E123 PolarHBondContact NH1-O 2.85Å
124	P	54.2	Low	38.5	Very low	60 Å²	60	108.4 Å²	108.4	39%	0.39	61%	0.605	S	S	.	*			trans	-157.3	-179.5	150.3	33.5	-8	0	0	0	120.9	E25 R26	E25-P124 VanDerWaalsContact CD-CB 3.5Å; E25-P124 HydrophobicContact CG-CB 4.4Å; E25-P124 CarbonylContact O-C 3.5Å; E25-P124 VanDerWaalsContact OE2-CA 3.31Å; E25-P124 WeakPolarHBondContact OE2-CA 3.42Å; E25-P124 WeakPolarHBondContact OE2-CB 3.39Å; R26-P124 WeakPolarHBondContact CD-O 3.49Å
125	K	30.3	Very low	39	Very low	52 Å²	52	106.4 Å²	106.4	23%	0.226	60%	0.601	C	S	.	*			trans	-101.6	178.2	-156.4	-125.2	174.9	171.1	156	0	123.5	E23 V24 E25 L127	E23-K125 WeakPolarHBondContact OE2-CD 3.35Å; E23-K125 WeakPolarHBondContact OE2-CE 3.48Å; E23-K125 IonicContact OE2-NZ 3.24Å; E23-K125 PolarHBondContact OE2-NZ 3Å; V24-K125 WeakPolarHBondContact O-CD 3.34Å; V24-K125 WeakPolarHBondContact O-CE 3.27Å; V24-K125 PolarHBondContact O-NZ 3.24Å; E25-K125 HydrophobicContact CB-CB 4.5Å; E25-K125 HydrophobicContact CG-CB 3.41Å; E25-K125 VanDerWaalsContact CG-CB 3.41Å; E25-K125 HydrophobicContact CG-CD 4.13Å; E25-K125 HydrophobicContact CG-CG 3.81Å; E25-K125 VanDerWaalsContact CG-N 3.34Å; E25-K125 WeakPolarHBondContact O-CG 3.25Å; E25-K125 PolarHBondContact OE2-N 3.25Å; K125-L127 HydrophobicContact CD-CG 4.05Å
126	P	60.1	Low	39.6	Very low	117 Å²	117	110.9 Å²	110.9	76%	0.76	61%	0.606	S	S	*	*				-141.2	-174.3	104.5	42.4	-28.6	0	0	0	118.4
127	L	36.7	Very low	39	Very low	107 Å²	107	113.7 Å²	113.7	56%	0.56	61%	0.609	S	S	*	*			trans	-151	-175.6	-179.6	-90.6	-167.2	0	0	0	111.4	E23 K125	E23-L127 VanDerWaalsContact OE1-CD1 3.25Å; E23-L127 WeakPolarHBondContact OE1-CD1 3.36Å; E23-L127 VanDerWaalsContact OE2-CD1 3.25Å; E23-L127 WeakPolarHBondContact OE2-CD1 3.17Å; K125-L127 HydrophobicContact CD-CG 4.05Å
128	P	48.4	Very low	39.5	Very low	121 Å²	121	115.9 Å²	115.9	79%	0.786	61%	0.611	S	S	*	*			cis	-133.4	-177.2	2.3	43.7	-26.9	0	0	0	117
129	A	30.2	Very low	39.5	Very low	97 Å²	97	117.5 Å²	117.5	80%	0.802	62%	0.615	S	S	*	*			trans	-162.8	154.2	165.6	0	0	0	0	0	114.6
130	P	60.7	Low	39.4	Very low	105 Å²	105	114.1 Å²	114.1	68%	0.682	62%	0.616	S	S	*	*			trans	-136.7	-166.7	173.6	38.9	-18.9	0	0	0	116.3
131	E	34.2	Very low	40.2	Very low	171 Å²	171	114.6 Å²	114.6	80%	0.799	63%	0.633	S	S	*	*			trans	76	144.3	165.2	-59.6	163.7	-103.1	0	0	118.3
132	T	36.3	Very low	40.8	Very low	109 Å²	109	115.6 Å²	115.6	67%	0.669	65%	0.65	S	S	*	*			cis	-168.1	158.1	-16.6	28.8	0	0	0	0	111.5
133	D	38.1	Very low	40.3	Very low	152 Å²	152	122 Å²	122	81%	0.813	69%	0.689	S	S	*	*			trans	62.7	172.8	161.8	-45.2	-30	0	0	0	118.7
134	D	34.7	Very low	41	Very low	166 Å²	166	125.6 Å²	125.6	89%	0.888	72%	0.716	S	S	*	*			cis	-156.7	-178.3	10	-160.1	-3.3	0	0	0	111.6
135	D	39.4	Very low	40.2	Very low	148 Å²	148	129 Å²	129	79%	0.791	74%	0.738	S	S	*	*			trans	-101.8	-164.6	-173.3	-123.8	-40.8	0	0	0	115.5
136	E	40.6	Very low	40.1	Very low	185 Å²	185	131.9 Å²	131.9	86%	0.864	76%	0.764	S	S	*	*			cis	-154.7	175.4	16.5	-159.1	-178.7	-164.6	0	0	111.7
137	E	37.8	Very low	40	Very low	175 Å²	175	131.5 Å²	131.5	82%	0.818	76%	0.762	S	S	*	*			trans	-95.2	175.8	-178	-50.9	-172.9	120.6	0	0	115.1
138	E	36.1	Very low	40.3	Very low	159 Å²	159	131.6 Å²	131.6	74%	0.743	77%	0.769	S	S	*	*			cis	-165.8	-179.5	-9.7	-125.7	-72.4	68.1	0	0	111.1
139	E	28.2	Very low	39.4	Very low	164 Å²	164	134 Å²	134	77%	0.766	77%	0.768	S	S	*	*			trans	84.1	150.9	150.8	-90.7	-83.8	74.5	0	0	121.7
140	A	30.1	Very low	39.2	Very low	88 Å²	88	136.6 Å²	136.6	73%	0.727	76%	0.763	S	S	*	*			trans	-136.4	-107.9	-160.1	0	0	0	0	0	122.4
141	P	56.4	Low	37.7	Very low	113 Å²	113	135.6 Å²	135.6	73%	0.734	76%	0.764	S	S	*	*				-123.1	-156.8	-125.3	41.1	-23.2	0	0	0	115
142	P	46.7	Very low	37.3	Very low	103 Å²	103	136.3 Å²	136.3	67%	0.669	76%	0.764	S	S	*	*			cis	-145.8	143.1	-2.4	39.6	-16.7	0	0	0	120.6
143	T	27.6	Very low	36.9	Very low	136 Å²	136	137 Å²	137	83%	0.834	77%	0.768	S	S	*	*			trans	76.9	-162.1	138.9	68.2	0	0	0	0	122.1
144	P	54.2	Low	36.3	Very low	110 Å²	110	137.5 Å²	137.5	71%	0.714	77%	0.765	S	S	*	*				-129.1	-174.2	-115.5	43.1	-21.1	0	0	0	116.5
145	P	37.3	Very low	36	Very low	130 Å²	130	133.1 Å²	133.1	84%	0.844	75%	0.748	S	S	*	*				-155	-166.7	90.2	41.3	-19.8	0	0	0	115.9
146	S	28.7	Very low	35.4	Very low	113 Å²	113	134.9 Å²	134.9	79%	0.79	75%	0.748	S	S	*	*			trans	-130	-144.3	-170.1	49.7	0	0	0	0	116.4
147	P	57.3	Low	34.8	Very low	110 Å²	110	134.9 Å²	134.9	71%	0.714	75%	0.746	S	S	*	*				-106.5	-171.1	-108	42	-27.6	0	0	0	114.9
148	P	43.3	Very low	34.2	Very low	109 Å²	109	135.9 Å²	135.9	71%	0.708	74%	0.742	S	S	*	*				-160.3	152.1	99.9	41.1	-21.4	0	0	0	120
149	K	28.9	Very low	33.7	Very low	172 Å²	172	137 Å²	137	75%	0.748	74%	0.74	S	S	*	*				48.8	156	126.2	-58.6	175.9	170.8	-87.6	0	122.3
150	E	27.9	Very low	33.6	Very low	150 Å²	150	132.7 Å²	132.7	70%	0.701	73%	0.733	S	S	*	*			cis	-172.3	170.9	-9.8	-110.5	166.5	-153.8	0	0	111.8
151	A	28	Very low	33.3	Very low	85 Å²	85	134.9 Å²	134.9	70%	0.702	73%	0.733	S	S	*	*			trans	68.9	156.7	152.3	0	0	0	0	0	119.4
152	K	26.5	Very low	31.9	Very low	185 Å²	185	134 Å²	134	80%	0.804	73%	0.729	S	S	*	*			cis	-156.3	144.8	-10.1	-111.4	166.9	-174.7	173.5	0	107.5
153	V	26.8	Very low	31	Very low	124 Å²	124	136.1 Å²	136.1	75%	0.752	74%	0.735	S	S	*	*				50.1	121	94.5	-175.2	0	0	0	0	112.4
154	E	25.4	Very low	31.1	Very low	163 Å²	163	137.6 Å²	137.6	76%	0.762	73%	0.732	S	S	*	*				-175.8	179.6	64.1	-148.6	-172.9	-124.8	0	0	114.9
155	S	28.1	Very low	29.9	Very low	74 Å²	74	140.8 Å²	140.8	52%	0.517	74%	0.738	S	S	.	*			trans	65.2	115.2	145.7	-80.1	0	0	0	0	120.8
156	K	27.8	Very low	29.4	Very low	185 Å²	185	142.9 Å²	142.9	80%	0.804	74%	0.736	S	S	*	*				67.9	109	82.7	-72.3	170.6	-176.6	161.3	0	113.6
157	K	27.9	Very low	29.4	Very low	185 Å²	185	144.1 Å²	144.1	80%	0.804	73%	0.729	S	S	*	*				96.5	118.5	58.7	178.9	-172	-166.8	178.7	0	112.4
158	R	25.1	Very low	27.8	Very low	195 Å²	195	144.4 Å²	144.4	74%	0.736	73%	0.725	S	S	*	*			trans	170.9	146	134.7	-97	159.9	-166.7	-104.2	2.2	116.6
159	Y	25.1	Very low	27	Very low	182 Å²	182	148.4 Å²	148.4	71%	0.714	73%	0.726	S	S	*	*			trans	52.7	132.1	160.1	-57.5	-62	0	0	0	119.5
160	A	27.5	Very low	26.9	Very low	75 Å²	75	144.7 Å²	144.7	62%	0.62	73%	0.727	S	S	*	*			cis	83.9	155.8	40.5	0	0	0	0	0	113.1
161	D	23.4	Very low	27.1	Very low	134 Å²	134	143.4 Å²	143.4	72%	0.717	73%	0.732	S	S	*	*			cis	-120	163.8	6.6	-91.4	-60.5	0	0	0	110.9
162	S	27.6	Very low	27.1	Very low	95 Å²	95	144.5 Å²	144.5	66%	0.664	74%	0.735	S	S	*	*				72.8	118.1	51.6	-32.3	0	0	0	0	114.8
163	D	27	Very low	27	Very low	146 Å²	146	141.5 Å²	141.5	78%	0.781	74%	0.737	S	S	*	*			trans	-161.2	112.4	148.6	-86	-25.5	0	0	0	102.9
164	E	29.3	Very low	27.1	Very low	167 Å²	167	145.1 Å²	145.1	78%	0.78	74%	0.742	S	S	*	*				67.7	128.3	90.3	-70.5	-172.8	-169.9	0	0	113.6
165	E	28.3	Very low	27.1	Very low	178 Å²	178	147.3 Å²	147.3	83%	0.832	75%	0.749	S	S	*	*			cis	-158	-172.3	-4.5	-137.3	-177.9	-169	0	0	111.1
166	E	28.6	Very low	27.2	Very low	173 Å²	173	152.1 Å²	152.1	81%	0.808	76%	0.764	S	S	*	*			trans	-77.7	-175.2	171.2	-54.6	-154.5	145.8	0	0	112.1
167	E	26.8	Very low	27.2	Very low	139 Å²	139	151.6 Å²	151.6	65%	0.65	76%	0.761	S	S	*	*			cis	-155.7	-178.9	6	-155.6	-149.5	141.3	0	0	110.5	R169	E167-R169 IonicContact OE1-NH1 2.73Å; E167-R169 PolarHBondContact OE1-NH1 3.05Å; E167-R169 VanDerWaalsContact OE1-NH1 3.1Å
168	D	25.2	Very low	27.1	Very low	116 Å²	116	150.6 Å²	150.6	62%	0.62	76%	0.757	S	S	*	*			trans	93.2	173.5	140.9	-141.4	-1.1	0	0	0	121.1
169	R	25.8	Very low	27.1	Very low	194 Å²	194	146.9 Å²	146.9	73%	0.732	75%	0.748	S	S	*	*			trans	-107.9	160.2	-135.5	-72.8	157.6	-176.7	83	-1.6	117.8	E167	E167-R169 IonicContact OE1-NH1 2.73Å; E167-R169 PolarHBondContact OE1-NH1 3.05Å; E167-R169 VanDerWaalsContact OE1-NH1 3.1Å
170	A	26.6	Very low	27.1	Very low	93 Å²	93	147.1 Å²	147.1	77%	0.769	75%	0.753	S	S	*	*			trans	78.3	145.2	139.2	0	0	0	0	0	121.3
171	P	33.1	Very low	27.2	Very low	123 Å²	123	147.1 Å²	147.1	80%	0.799	76%	0.761	S	S	*	*			trans	-89.1	115.7	176.9	34.3	-33	0	0	0	113.9
172	S	27.2	Very low	27.4	Very low	109 Å²	109	149.6 Å²	149.6	76%	0.762	77%	0.765	S	S	*	*			trans	10.3	140.2	149.2	66.5	0	0	0	0	122
173	S	25.3	Very low	27.3	Very low	122 Å²	122	151.1 Å²	151.1	85%	0.853	77%	0.766	S	S	*	*			trans	-127.8	145.9	131.7	70.3	0	0	0	0	110.5
174	K	27.4	Very low	27.3	Very low	199 Å²	199	148.2 Å²	148.2	87%	0.865	77%	0.77	S	S	*	*			trans	-134.9	127.7	-178.5	-92.1	-177.7	176.4	170.5	0	111.2
175	K	27	Very low	27.2	Very low	209 Å²	209	144.1 Å²	144.1	91%	0.909	77%	0.772	S	S	*	*			trans	-161.4	166.8	135	-111.2	160.9	-174.6	174	0	111.9
176	Q	29	Very low	27.2	Very low	175 Å²	175	144.3 Å²	144.3	82%	0.818	77%	0.771	S	S	*	*			trans	-83.3	176.6	-168.7	-53.8	168.1	-25.1	0	0	110.5
177	K	27.5	Very low	27.2	Very low	174 Å²	174	143.4 Å²	143.4	76%	0.757	77%	0.766	S	S	*	*			cis	-169.6	151.6	24.4	-158.1	-180	179.4	175	0	112.2
178	K	25.7	Very low	27.3	Very low	165 Å²	165	145.6 Å²	145.6	72%	0.717	77%	0.773	S	S	*	*			trans	65.5	118.9	149.9	-107.8	-159.2	175.5	-151.2	0	123.1
179	E	26.4	Very low	27.3	Very low	117 Å²	117	148 Å²	148	55%	0.547	78%	0.778	S	S	.	*				81.3	136.2	123.1	-109.5	-167.3	117.3	0	0	124.6
180	K	25.2	Very low	27.2	Very low	186 Å²	186	145.4 Å²	145.4	81%	0.809	78%	0.777	S	S	*	*			trans	58.8	128.6	158.6	-70.4	-166.9	172.1	84.2	0	119.4
181	G	28.9	Very low	27.3	Very low	76 Å²	76	148.7 Å²	148.7	78%	0.784	77%	0.774	S	S	*	*			trans	-140.1	174.4	161.4	0	0	0	0	0	111.3
182	K	28.2	Very low	26.9	Very low	186 Å²	186	147.4 Å²	147.4	81%	0.809	76%	0.764	S	S	*	*			trans	-164.5	153.9	166.3	-137.1	-178.9	176.9	-87.9	0	112
183	D	25.9	Very low	26.8	Very low	127 Å²	127	149.4 Å²	149.4	68%	0.679	76%	0.762	S	S	*	*			trans	42.5	115.3	156.5	-69.9	-50.2	0	0	0	123
184	G	27.1	Very low	26.8	Very low	84 Å²	84	151.9 Å²	151.9	87%	0.866	76%	0.76	S	S	*	*				86.3	163.9	111.8	0	0	0	0	0	120.1
185	G	26.6	Very low	26.6	Very low	81 Å²	81	145.4 Å²	145.4	84%	0.835	75%	0.75	S	S	*	*			trans	137.9	24.6	156.4	0	0	0	0	0	122.9
186	K	28.4	Very low	26.7	Very low	183 Å²	183	138.8 Å²	138.8	80%	0.796	74%	0.74	S	S	*	*			trans	3.8	132.4	159.2	-73.8	-175	176.6	177.7	0	121.7
187	H	28.6	Very low	26.6	Very low	153 Å²	153	140.2 Å²	140.2	71%	0.708	74%	0.744	S	S	*	*				91.9	145.3	125	-80	-147.2	0	0	0	124.7
188	K	28	Very low	26.7	Very low	185 Å²	185	141.3 Å²	141.3	80%	0.804	75%	0.749	S	S	*	*			trans	73.5	155.1	151	-76.5	179.6	176.5	178.7	0	118.9
189	K	25.2	Very low	26.7	Very low	166 Å²	166	143.8 Å²	143.8	72%	0.722	76%	0.759	S	S	*	*			cis	-173.5	129	-21.3	-179.1	172	-178.8	-178.6	0	110.5
190	I	25.3	Very low	26.6	Very low	140 Å²	140	147.9 Å²	147.9	72%	0.718	78%	0.775	S	S	*	*				34.7	140.2	128	-88.3	161.8	0	0	0	118.7
191	K	27.3	Very low	26.6	Very low	163 Å²	163	145.9 Å²	145.9	71%	0.709	78%	0.779	S	S	*	*			cis	-170.6	161.2	23.8	-137.9	-174.2	172	-157	0	113.4
192	T	25.4	Very low	26.7	Very low	95 Å²	95	149.8 Å²	149.8	58%	0.583	77%	0.774	S	S	*	*			trans	41.7	179.3	147	32.3	0	0	0	0	123.1
193	E	24.1	Very low	26.4	Very low	152 Å²	152	148.7 Å²	148.7	71%	0.71	77%	0.769	S	S	*	*			cis	-156.5	156.6	4.9	-119.8	127.4	-117.9	0	0	106.8
194	E	25.2	Very low	26.6	Very low	174 Å²	174	147.9 Å²	147.9	81%	0.813	76%	0.761	S	S	*	*			cis	-166.6	155.5	-25.2	-144.7	-57.9	89.7	0	0	108.8
195	G	24.7	Very low	26.5	Very low	63 Å²	63	154.1 Å²	154.1	65%	0.649	76%	0.759	S	S	*	*			trans	104	147.2	155.1	0	0	0	0	0	118.1
196	G	28.4	Very low	26.5	Very low	69 Å²	69	157 Å²	157	71%	0.711	75%	0.748	S	S	*	*			cis	143.5	115.3	-12.5	0	0	0	0	0	115.6
197	K	26.8	Very low	26.6	Very low	206 Å²	206	154 Å²	154	90%	0.896	75%	0.745	S	S	*	*			trans	175.6	156	159.8	-100.1	149.8	-174.4	173.8	0	111.4
198	K	28.7	Very low	26.3	Very low	197 Å²	197	152.3 Å²	152.3	86%	0.857	74%	0.738	S	S	*	*			cis	-177.3	121.9	-48.4	-117.2	-179	179.8	178.4	0	109.6
199	K	26.4	Very low	26.1	Very low	216 Å²	216	148.2 Å²	148.2	94%	0.939	73%	0.732	S	S	*	*			trans	-175.2	120.8	136.5	-109.1	175.4	-179.9	-178.5	0	112.7
200	K	24.7	Very low	26.1	Very low	203 Å²	203	144.3 Å²	144.3	88%	0.883	73%	0.726	S	S	*	*			trans	-105.2	156.1	154.9	-65.6	179.6	177.6	-180	0	107.5
201	V	25.3	Very low	26.2	Very low	145 Å²	145	144.3 Å²	144.3	88%	0.879	73%	0.727	S	S	*	*				-141	134.5	126.6	179.7	0	0	0	0	107.9
202	K	30.3	Very low	26.1	Very low	158 Å²	158	143.6 Å²	143.6	69%	0.687	73%	0.731	S	S	*	*			trans	-128.1	146.5	161	-170.3	-171.3	-168.8	-168	0	104.2	E204	K202-E204 HydrophobicContact CD-CG 4.38Å; K202-E204 WeakPolarHBondContact CE-OE1 3.27Å; K202-E204 IonicContact NZ-OE1 2.69Å; K202-E204 PolarHBondContact NZ-OE1 2.98Å
203	K	22.2	Very low	26.2	Very low	162 Å²	162	146.8 Å²	146.8	70%	0.704	74%	0.739	S	S	*	*			trans	-135.9	117.7	164.9	-158.1	175.7	-177.6	-168.7	0	111.5
204	E	30.7	Very low	26.5	Very low	110 Å²	110	143.3 Å²	143.3	51%	0.514	74%	0.737	S	S	.	*			trans	-108.3	174.9	167.1	-55.7	139.5	142.2	0	0	107.4	K202	K202-E204 HydrophobicContact CD-CG 4.38Å; K202-E204 WeakPolarHBondContact CE-OE1 3.27Å; K202-E204 IonicContact NZ-OE1 2.69Å; K202-E204 PolarHBondContact NZ-OE1 2.98Å
205	W	24.6	Very low	26.4	Very low	215 Å²	215	141.6 Å²	141.6	81%	0.814	74%	0.738	S	S	*	*			trans	-144	126.8	133.9	-83.7	-25.6	0	0	0	107.4
206	K	27.1	Very low	26.7	Very low	142 Å²	142	143.1 Å²	143.1	62%	0.617	74%	0.744	S	S	*	*			cis	84.3	162.2	17	-150.5	-114	-174.3	-162.9	0	114.5	E208	K206-E208 WeakPolarHBondContact CD-OE2 2.87Å; K206-E208 WeakPolarHBondContact CE-OE2 3.38Å; K206-E208 IonicContact NZ-OE1 3.65Å; K206-E208 PolarHBondContact NZ-OE1 2.87Å; K206-E208 IonicContact NZ-OE2 2.72Å; K206-E208 PolarHBondContact NZ-OE2 3.41Å
207	V	29.5	Very low	27	Very low	120 Å²	120	145.8 Å²	145.8	73%	0.727	75%	0.749	S	S	*	*			trans	95.8	121.8	-171	-179.6	0	0	0	0	112
208	E	23.4	Very low	27.1	Very low	118 Å²	118	141.6 Å²	141.6	55%	0.551	74%	0.741	S	S	*	*			cis	-159.6	-172.4	-22.6	-133	62.7	116.4	0	0	106.9	K206	K206-E208 WeakPolarHBondContact CD-OE2 2.87Å; K206-E208 WeakPolarHBondContact CE-OE2 3.38Å; K206-E208 IonicContact NZ-OE1 3.65Å; K206-E208 PolarHBondContact NZ-OE1 2.87Å; K206-E208 IonicContact NZ-OE2 2.72Å; K206-E208 PolarHBondContact NZ-OE2 3.41Å
209	S	22.3	Very low	27.1	Very low	98 Å²	98	139.2 Å²	139.2	69%	0.685	73%	0.733	S	S	*	*			cis	-154.1	170.4	9.8	-151.6	0	0	0	0	108
210	S	26.3	Very low	27.3	Very low	85 Å²	85	137 Å²	137	59%	0.594	73%	0.726	S	S	*	*			cis	76.1	126.3	21.4	-87.3	0	0	0	0	115.3
211	D	26.5	Very low	27.4	Very low	140 Å²	140	133.8 Å²	133.8	75%	0.749	72%	0.718	S	S	*	*			cis	-154.6	176.1	10.2	-80.7	-43.6	0	0	0	114.8
212	D	26.7	Very low	27.6	Very low	147 Å²	147	133.3 Å²	133.3	79%	0.786	71%	0.71	S	S	*	*			trans	70.5	113.4	149.3	-85.5	-136.7	0	0	0	126.9
213	E	27.3	Very low	27.4	Very low	163 Å²	163	130.1 Å²	130.1	76%	0.762	71%	0.708	S	S	*	*				63.1	93.4	107.3	-152.4	73.1	167	0	0	123.1
214	A	28.9	Very low	27.6	Very low	79 Å²	79	129.7 Å²	129.7	65%	0.653	71%	0.713	S	S	*	*			trans	64.3	157.2	130.3	0	0	0	0	0	124.5
215	T	24	Very low	27.4	Very low	138 Å²	138	127.6 Å²	127.6	85%	0.847	72%	0.721	S	S	*	*			trans	88.8	129.4	165.1	-32	0	0	0	0	117
216	A	29.9	Very low	28.2	Very low	94 Å²	94	123 Å²	123	78%	0.777	72%	0.718	S	S	*	*			trans	-116.6	138.2	169.1	0	0	0	0	0	110.3
217	P	34.6	Very low	28.3	Very low	125 Å²	125	120.8 Å²	120.8	81%	0.812	72%	0.721	S	S	*	*			trans	-132.5	-163.1	136.5	37.3	-24.3	0	0	0	112.2
218	V	29.7	Very low	28.2	Very low	119 Å²	119	123.4 Å²	123.4	72%	0.721	73%	0.725	S	S	*	*			trans	-115.7	168.4	-147.8	-146.4	0	0	0	0	113.4
219	E	29.3	Very low	28.4	Very low	147 Å²	147	121.9 Å²	121.9	69%	0.687	73%	0.728	S	S	*	*			trans	80	139.3	162.9	-43	-49.9	175.4	0	0	122.1
220	E	30.7	Very low	28.5	Very low	170 Å²	170	125.7 Å²	125.7	79%	0.794	74%	0.735	S	S	*	*			trans	38.4	135.5	138	-59.1	172.5	152.7	0	0	119.1
221	D	25.6	Very low	28.6	Very low	135 Å²	135	127 Å²	127	72%	0.722	74%	0.739	S	S	*	*				-165.2	169.9	51.3	-145.9	-3	0	0	0	115.3
222	L	29.7	Very low	28.7	Very low	135 Å²	135	128.1 Å²	128.1	71%	0.707	74%	0.74	S	S	*	*			trans	6.1	125.6	160.7	-68.5	161.1	0	0	0	122
223	S	25.8	Very low	28.7	Very low	91 Å²	91	127.1 Å²	127.1	64%	0.636	73%	0.734	S	S	*	*				82.4	145	97.2	93.2	0	0	0	0	114.9
224	D	26.9	Very low	28.9	Very low	153 Å²	153	124.2 Å²	124.2	82%	0.818	73%	0.732	S	S	*	*			cis	-146	176.8	27.1	-102.6	-68.3	0	0	0	113.8
225	G	26.7	Very low	28.8	Very low	66 Å²	66	124.2 Å²	124.2	68%	0.68	74%	0.74	S	S	*	*			trans	-90.9	-139.4	171.3	0	0	0	0	0	113.5
226	P	40.6	Very low	29	Very low	117 Å²	117	123.8 Å²	123.8	76%	0.76	74%	0.742	S	S	*	*			cis	-138.1	-170.7	0.5	38.6	-18.3	0	0	0	114.9
227	S	30.6	Very low	29	Very low	96 Å²	96	123.8 Å²	123.8	67%	0.671	74%	0.743	S	S	*	*			trans	68.5	142	146.1	61.7	0	0	0	0	119.9
228	E	25.8	Very low	28.6	Very low	175 Å²	175	127.2 Å²	127.2	82%	0.818	75%	0.747	S	S	*	*			cis	-159.6	163.1	-5.3	-126.1	171.1	-179.8	0	0	113.6
229	S	27.5	Very low	28.4	Very low	86 Å²	86	125.6 Å²	125.6	60%	0.601	75%	0.747	S	S	*	*			trans	33.4	122.6	151.6	49.9	0	0	0	0	121.1
230	Q	25	Very low	28.3	Very low	179 Å²	179	123.5 Å²	123.5	84%	0.836	76%	0.755	S	S	*	*				66.3	146.1	74.7	-67.2	-179.3	-44.5	0	0	114
231	V	28.9	Very low	28.1	Very low	113 Å²	113	120.3 Å²	120.3	69%	0.685	76%	0.757	S	S	*	*			cis	-146.4	159.5	24.1	-98	0	0	0	0	112.1
232	E	28	Very low	28.2	Very low	163 Å²	163	123.5 Å²	123.5	76%	0.762	77%	0.765	S	S	*	*			trans	26	159.5	131.2	-44.3	-54	102.3	0	0	122.1
233	D	27.6	Very low	29.2	Very low	126 Å²	126	122.8 Å²	122.8	67%	0.674	77%	0.768	S	S	*	*			cis	-175.1	168	-26.2	177.1	42.8	0	0	0	108
234	S	31	Very low	29.2	Very low	102 Å²	102	122.3 Å²	122.3	71%	0.713	77%	0.77	S	S	*	*			trans	18.7	139.9	159.8	69.1	0	0	0	0	123.5
235	G	26.7	Very low	29.2	Very low	79 Å²	79	122.5 Å²	122.5	81%	0.814	77%	0.766	S	S	*	*			trans	-172.6	124.5	163	0	0	0	0	0	113
236	S	29.2	Very low	29.2	Very low	128 Å²	128	127.1 Å²	127.1	90%	0.895	77%	0.767	S	S	*	*			trans	-109.7	142.2	177.8	-55.2	0	0	0	0	112.1
237	A	28.6	Very low	28.5	Very low	95 Å²	95	128.1 Å²	128.1	79%	0.785	77%	0.765	S	S	*	*			trans	-175.6	117	143.7	0	0	0	0	0	114
238	E	25.8	Very low	28.2	Very low	196 Å²	196	129.8 Å²	129.8	92%	0.916	77%	0.767	S	S	*	*				49.5	160.1	125.8	-122	-179.4	134.1	0	0	125.9
239	A	26.5	Very low	28.3	Very low	85 Å²	85	128.1 Å²	128.1	70%	0.702	76%	0.763	S	S	*	*			trans	86.8	80.4	149.1	0	0	0	0	0	122.8
240	A	26.5	Very low	28.3	Very low	104 Å²	104	131 Å²	131	86%	0.86	77%	0.767	S	S	*	*				74.3	170.6	118.7	0	0	0	0	0	123.3
241	A	26.9	Very low	28.6	Very low	102 Å²	102	128.2 Å²	128.2	84%	0.843	76%	0.757	S	S	*	*			trans	83	127.6	172	0	0	0	0	0	120.6
242	K	27.8	Very low	28.6	Very low	202 Å²	202	130.4 Å²	130.4	88%	0.878	76%	0.758	S	S	*	*			trans	-110	-172.3	156.2	-48.6	180	178.9	177.7	0	107.1
243	P	50.1	Low	28.7	Very low	121 Å²	121	129.6 Å²	129.6	79%	0.786	76%	0.757	S	S	*	*			cis	-138.1	-169.7	-6.4	36.8	-15	0	0	0	115.4
244	A	26.2	Very low	28.7	Very low	81 Å²	81	132.4 Å²	132.4	67%	0.669	76%	0.763	S	S	*	*			trans	112.8	119.6	134.8	0	0	0	0	0	122.4
245	Q	26.9	Very low	28.6	Very low	156 Å²	156	135.2 Å²	135.2	73%	0.729	77%	0.765	S	S	*	*			trans	78	122.3	130.3	-73.6	-170.1	40.6	0	0	124.8
246	K	26.1	Very low	28.6	Very low	164 Å²	164	139.8 Å²	139.8	71%	0.713	76%	0.763	S	S	*	*				94.7	117.7	124.1	-79.8	-179	172.9	167.5	0	124.5
247	L	26.1	Very low	28.6	Very low	137 Å²	137	143.5 Å²	143.5	72%	0.717	76%	0.763	S	S	*	*				84.6	143.5	125.7	-66.7	171.1	0	0	0	124.4
248	N	25.1	Very low	28.5	Very low	131 Å²	131	143 Å²	143	70%	0.701	77%	0.766	S	S	*	*			trans	71	155.1	146.1	-81.1	25.4	0	0	0	120.5
249	L	29	Very low	28.4	Very low	140 Å²	140	142.2 Å²	142.2	73%	0.733	76%	0.76	S	S	*	*			cis	-163.3	175.6	-21.3	-160.6	63	0	0	0	109.2
250	E	27.1	Very low	28.4	Very low	148 Å²	148	149.8 Å²	149.8	69%	0.692	77%	0.771	S	S	*	*			trans	-81	158.5	-173.9	-52.3	102.6	124.4	0	0	118.1
251	D	29.8	Very low	28.2	Very low	119 Å²	119	152 Å²	152	64%	0.636	76%	0.763	S	S	*	*				165.2	160.5	119.8	-97	19.7	0	0	0	113
252	K	29.7	Very low	28.1	Very low	159 Å²	159	154 Å²	154	69%	0.691	76%	0.764	S	S	*	*			cis	170.6	-176.7	-19.4	-101.3	-168.4	-161.5	80.5	0	105.6
253	I	30.2	Very low	28	Very low	147 Å²	147	152.6 Å²	152.6	75%	0.754	76%	0.758	S	S	*	*			trans	86.8	136.6	160.1	-54.7	-178.6	0	0	0	116.5
254	K	27.6	Very low	27.1	Very low	184 Å²	184	154.5 Å²	154.5	80%	0.8	76%	0.761	S	S	*	*			cis	179.1	175.6	-27.6	-106.1	165.1	-176.7	171.4	0	109.1
255	Q	29	Very low	27.1	Very low	161 Å²	161	158.9 Å²	158.9	75%	0.752	77%	0.768	S	S	*	*			trans	102.3	148.6	157.5	-56.6	-148.5	49.6	0	0	118.5
256	K	27	Very low	27.1	Very low	175 Å²	175	154.4 Å²	154.4	76%	0.761	76%	0.763	S	S	*	*			cis	-169.3	148.3	-17.5	165.8	172.9	166.8	-169.5	0	114.4
257	K	27.9	Very low	27.3	Very low	207 Å²	207	153.9 Å²	153.9	90%	0.9	77%	0.767	S	S	*	*			trans	-17.7	152.1	172.2	-58.2	177.1	176.4	179.4	0	122.7
258	G	26.6	Very low	27.3	Very low	83 Å²	83	155.4 Å²	155.4	86%	0.856	77%	0.767	S	S	*	*			trans	-160.5	138.6	152.4	0	0	0	0	0	115.1
259	K	25.2	Very low	27.4	Very low	181 Å²	181	154.2 Å²	154.2	79%	0.787	76%	0.761	S	S	*	*			trans	-102.2	176.7	175.3	-134.7	-172.8	179.4	-168.6	0	109.9
260	W	24.9	Very low	27.4	Very low	244 Å²	244	153.6 Å²	153.6	92%	0.924	76%	0.758	S	S	*	*				-171.5	179.3	69.3	-86.8	84.8	0	0	0	111.7
261	E	22.8	Very low	27.5	Very low	150 Å²	150	153.9 Å²	153.9	70%	0.701	76%	0.762	S	S	*	*			trans	-138.8	143.4	-176.5	175.6	-166.1	173.5	0	0	111.4
262	V	25.8	Very low	27.2	Very low	144 Å²	144	152.8 Å²	152.8	87%	0.873	76%	0.764	S	S	*	*			trans	-149.1	160.6	164.5	-173.5	0	0	0	0	110.6
263	K	24.8	Very low	27	Very low	173 Å²	173	152 Å²	152	75%	0.752	76%	0.763	S	S	*	*			trans	-146.9	175.1	-168.5	-164.4	172.5	-177.9	176.2	0	112.5
264	L	31	Very low	26.8	Very low	160 Å²	160	152.5 Å²	152.5	84%	0.838	76%	0.76	S	S	*	*			trans	96.2	161.4	173.4	-56.1	166.4	0	0	0	117.4
265	Q	25.5	Very low	26.7	Very low	174 Å²	174	152.3 Å²	152.3	81%	0.813	76%	0.759	S	S	*	*			cis	-172.6	142.7	-42.5	-171.9	66.5	5.5	0	0	112
266	G	28.3	Very low	26.5	Very low	61 Å²	61	149.7 Å²	149.7	63%	0.629	76%	0.758	S	S	*	*			trans	98.9	172.8	160.3	0	0	0	0	0	118.3
267	I	29.8	Very low	26.4	Very low	154 Å²	154	150.3 Å²	150.3	79%	0.79	76%	0.761	S	S	*	*			cis	-168.2	136.6	-21.3	-109.5	158.7	0	0	0	109.7
268	K	26.6	Very low	26.5	Very low	168 Å²	168	149.7 Å²	149.7	73%	0.73	76%	0.758	S	S	*	*			trans	59.7	164.8	161.7	-79.9	-179.7	150.6	-74.3	0	119
269	D	27.8	Very low	27.1	Very low	106 Å²	106	151.1 Å²	151.1	57%	0.567	75%	0.753	S	S	*	*			cis	-160.4	161	-1.7	-119.6	-13.2	0	0	0	114.1
270	L	27.4	Very low	26.9	Very low	127 Å²	127	150.3 Å²	150.3	67%	0.665	76%	0.757	S	S	*	*			trans	60.5	123.5	146.5	-95	76.1	0	0	0	126.1
271	I	29.9	Very low	27	Very low	154 Å²	154	141.6 Å²	141.6	79%	0.79	74%	0.743	S	S	*	*				63.6	147.3	119.1	-72.8	-178.7	0	0	0	119.5
272	S	24.1	Very low	27	Very low	96 Å²	96	140 Å²	140	67%	0.671	75%	0.749	S	S	*	*			cis	-155.2	149.5	27.7	58.3	0	0	0	0	117.9
273	E	24	Very low	27	Very low	143 Å²	143	140.2 Å²	140.2	67%	0.668	74%	0.744	S	S	*	*			trans	61.9	131.8	131.2	-70.6	-118.5	101.4	0	0	127.3
274	K	26.8	Very low	27	Very low	158 Å²	158	140.7 Å²	140.7	69%	0.687	75%	0.749	S	S	*	*			trans	67.2	158	138.5	-76.7	-177.9	172.9	75.4	0	122.6
275	K	26.3	Very low	26.8	Very low	179 Å²	179	142.6 Å²	142.6	78%	0.778	75%	0.75	S	S	*	*			cis	171.4	150.8	-33.7	176.8	170	-177.5	174	0	109.5
276	S	24.6	Very low	27.5	Very low	106 Å²	106	139.2 Å²	139.2	74%	0.741	74%	0.744	S	S	*	*			trans	87.3	154.4	163.1	90.7	0	0	0	0	116.8
277	K	25	Very low	27.3	Very low	188 Å²	188	146 Å²	146	82%	0.817	76%	0.756	S	S	*	*			cis	-156.2	152	0.5	-141.1	169.9	179.5	-176.2	0	111
278	K	30.3	Very low	27.1	Very low	194 Å²	194	144.6 Å²	144.6	84%	0.843	76%	0.759	S	S	*	*			trans	-107.1	155	150.4	-78.4	-169.8	176	-176.2	0	108.5
279	P	37.6	Very low	27	Very low	114 Å²	114	145.5 Å²	145.5	74%	0.74	77%	0.766	S	S	*	*				-147.5	-169.8	108	38.6	-20.9	0	0	0	114.8
280	D	22.4	Very low	26.8	Very low	163 Å²	163	145.7 Å²	145.7	87%	0.872	78%	0.776	S	S	*	*			trans	-25.8	166.8	171.8	-55.5	-79.4	0	0	0	120.9
281	G	25.5	Very low	26.8	Very low	61 Å²	61	144.3 Å²	144.3	63%	0.629	78%	0.777	S	S	*	*			cis	151.9	165.4	-7.4	0	0	0	0	0	115.4
282	S	24.5	Very low	26.6	Very low	118 Å²	118	146.8 Å²	146.8	83%	0.825	78%	0.782	S	S	*	*			trans	80.9	154.1	160.8	85.2	0	0	0	0	123.2
283	L	23.9	Very low	26.7	Very low	148 Å²	148	147.2 Å²	147.2	78%	0.775	79%	0.785	S	S	*	*			trans	62.1	106.9	155.3	-93.2	70.4	0	0	0	125.4
284	Q	25.6	Very low	27	Very low	182 Å²	182	147.8 Å²	147.8	85%	0.85	79%	0.785	S	S	*	*				34.1	133.2	121.3	-55.2	-174.2	7.7	0	0	124.5
285	K	26.8	Very low	27.2	Very low	200 Å²	200	146.5 Å²	146.5	87%	0.87	78%	0.781	S	S	*	*			trans	15.3	163.9	134.6	-84.4	-173.7	176.4	175.6	0	121.9
286	P	41.2	Very low	27.5	Very low	104 Å²	104	145.3 Å²	145.3	68%	0.675	78%	0.784	S	S	*	*			cis	-143.1	-176.7	-27.3	41.5	-23.1	0	0	0	115.7
287	K	22.3	Very low	27.7	Very low	204 Å²	204	143.2 Å²	143.2	89%	0.887	78%	0.778	S	S	*	*			trans	52.3	123.7	154.5	-77.8	-173.5	175.2	-176.7	0	121.5
288	S	26	Very low	27.8	Very low	123 Å²	123	138.8 Å²	138.8	86%	0.86	78%	0.777	S	S	*	*				-166.8	179	126	57.5	0	0	0	0	111.4
289	Q	25.6	Very low	27.7	Very low	187 Å²	187	136.1 Å²	136.1	87%	0.874	77%	0.771	S	S	*	*			trans	-121.9	155.2	-167.4	-54.5	146.3	-79.4	0	0	112
290	S	24	Very low	27.2	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	77%	0.773	S	S	*	*				178.8	144.3	125.7	53.5	0	0	0	0	116.8
291	S	27.2	Very low	27.4	Very low	99 Å²	99	134.8 Å²	134.8	69%	0.692	76%	0.759	S	S	*	*			trans	50	126.3	142.6	61.3	0	0	0	0	124.8
292	K	24.2	Very low	27.3	Very low	206 Å²	206	138.8 Å²	138.8	90%	0.896	77%	0.766	S	S	*	*			trans	47.9	137.9	131	-72.6	-178	176.5	179.9	0	120.1
293	S	26.8	Very low	27.5	Very low	104 Å²	104	137.9 Å²	137.9	73%	0.727	76%	0.76	S	S	*	*			cis	-153.8	-150.6	6.5	46.6	0	0	0	0	109.8
294	K	30	Very low	27.9	Very low	155 Å²	155	135.6 Å²	135.6	67%	0.674	76%	0.756	S	S	*	*			cis	-158.9	-166	14.8	-143.8	-177.4	-165.3	-73.7	0	111.1
295	E	31.2	Very low	27.9	Very low	131 Å²	131	133.1 Å²	133.1	61%	0.612	75%	0.749	S	S	*	*			trans	-37.1	154.1	169.8	-75.3	128.7	-138	0	0	118
296	D	32.1	Very low	27.9	Very low	155 Å²	155	130.2 Å²	130.2	83%	0.829	74%	0.743	S	S	*	*			cis	-145.1	157.3	2.7	-97.3	-40.9	0	0	0	110.6
297	G	30.6	Very low	27.4	Very low	61 Å²	61	130.7 Å²	130.7	63%	0.629	75%	0.749	S	S	*	*			cis	168.1	143.3	-6.5	0	0	0	0	0	113.8
298	A	27.1	Very low	27.8	Very low	96 Å²	96	125.8 Å²	125.8	79%	0.793	74%	0.74	S	S	*	*			trans	67.5	147.4	154.3	0	0	0	0	0	121.3
299	L	27.4	Very low	28.3	Very low	138 Å²	138	126.7 Å²	126.7	72%	0.723	74%	0.735	S	S	*	*			cis	-164.6	162.9	-15.3	-109.9	174.7	0	0	0	110
300	Q	26.7	Very low	28.8	Very low	165 Å²	165	123.9 Å²	123.9	77%	0.771	72%	0.721	S	S	*	*			trans	63.6	172.3	153.2	-73.8	155.5	-10.5	0	0	119.6
301	S	26.3	Very low	29.2	Very low	83 Å²	83	126 Å²	126	58%	0.58	72%	0.716	S	S	*	*				-169.3	167.1	-67.2	57	0	0	0	0	110.1
302	D	24.5	Very low	29.2	Very low	145 Å²	145	130.4 Å²	130.4	78%	0.775	72%	0.723	S	S	*	*			trans	69.1	148.5	154.6	-54.8	-51.9	0	0	0	122.6
303	S	28	Very low	29.6	Very low	99 Å²	99	124.9 Å²	124.9	69%	0.692	72%	0.716	S	S	*	*			trans	71.3	98.9	136	-171.7	0	0	0	0	122.6
304	S	31.4	Very low	29.7	Very low	101 Å²	101	129.2 Å²	129.2	71%	0.706	72%	0.722	S	S	*	*				70.2	162.5	114.7	-41.1	0	0	0	0	123
305	D	26.6	Very low	29.8	Very low	129 Å²	129	126.2 Å²	126.2	69%	0.69	72%	0.721	S	S	*	*			trans	75.6	121.7	150.5	-81.4	-59.1	0	0	0	122.9
306	N	26.5	Very low	29.7	Very low	139 Å²	139	129.8 Å²	129.8	74%	0.743	73%	0.734	S	S	*	*				19.7	133.4	117	-63.6	-63.4	0	0	0	117
307	S	31.3	Very low	29.4	Very low	114 Å²	114	126.3 Å²	126.3	80%	0.797	74%	0.735	S	S	*	*				-168.9	153.6	62.3	35.9	0	0	0	0	114.2
308	S	30.6	Very low	29.2	Very low	102 Å²	102	127.1 Å²	127.1	71%	0.713	74%	0.743	S	S	*	*			trans	-66.9	167.9	164.2	66.3	0	0	0	0	112.5
309	L	35.4	Very low	29.1	Very low	142 Å²	142	130.9 Å²	130.9	74%	0.743	75%	0.75	S	S	*	*				179.8	142.8	127.8	-90	172.5	0	0	0	105.5
310	H	36.3	Very low	29.1	Very low	128 Å²	128	127.5 Å²	127.5	59%	0.593	75%	0.748	S	S	*	*			cis	-157.4	170.3	27.1	-89.8	-34.1	0	0	0	108.7
311	K	33.6	Very low	29.4	Very low	153 Å²	153	126.3 Å²	126.3	67%	0.665	75%	0.752	S	S	*	*			cis	-165.4	148.9	-4.8	-115.3	158.6	179.7	150.1	0	110.1
312	K	26.8	Very low	30.5	Very low	192 Å²	192	128.3 Å²	128.3	84%	0.835	76%	0.764	S	S	*	*			trans	61.6	133	156.3	-74.7	-174.2	174.7	-175.5	0	118.3
313	A	32.1	Very low	30.8	Very low	90 Å²	90	125.7 Å²	125.7	74%	0.744	76%	0.762	S	S	*	*			cis	72.7	144.9	19.6	0	0	0	0	0	115.4
314	K	30	Very low	32.3	Very low	195 Å²	195	126.6 Å²	126.6	85%	0.848	77%	0.766	S	S	*	*			cis	-161.7	156.8	10.6	-151.6	173.9	179.6	175.3	0	107.2
315	S	31.5	Very low	33.3	Very low	93 Å²	93	127.4 Å²	127.4	65%	0.65	77%	0.769	S	S	*	*				152.8	166.2	79.5	58.9	0	0	0	0	112.5
316	K	28.5	Very low	33.7	Very low	206 Å²	206	128.5 Å²	128.5	90%	0.896	77%	0.769	S	S	*	*			trans	65.2	141	173.2	-57.9	-176.5	178.4	-175.2	0	114
317	G	27.1	Very low	34.1	Very low	82 Å²	82	129.6 Å²	129.6	85%	0.845	77%	0.768	S	S	*	*			cis	111.9	106.4	27	0	0	0	0	0	106.9
318	G	26.4	Very low	34	Very low	78 Å²	78	128.4 Å²	128.4	80%	0.804	77%	0.765	S	S	*	*			trans	-121.1	179	-168.2	0	0	0	0	0	113.9
319	D	25	Very low	35	Very low	174 Å²	174	128.6 Å²	128.6	93%	0.93	76%	0.763	S	S	*	*			trans	-165.3	169.1	170.5	-142.3	-29.6	0	0	0	111.8
320	G	27.8	Very low	34.9	Very low	67 Å²	67	126.8 Å²	126.8	69%	0.691	76%	0.762	S	S	*	*			trans	81.7	99.9	149.4	0	0	0	0	0	121.8
321	T	31.5	Very low	34.8	Very low	140 Å²	140	125.4 Å²	125.4	86%	0.859	77%	0.767	S	S	*	*			trans	-66.9	174.6	155.3	14.5	0	0	0	0	112.8
322	P	49.1	Very low	34.8	Very low	126 Å²	126	122.6 Å²	122.6	82%	0.818	77%	0.767	S	S	*	*			cis	-142.1	-167.1	36.6	31	-4.7	0	0	0	115.6
323	A	32.5	Very low	34.9	Very low	89 Å²	89	120.1 Å²	120.1	74%	0.736	77%	0.768	S	S	*	*			cis	-165.2	-149.7	-39.7	0	0	0	0	0	110.1
324	P	58.6	Low	34.7	Very low	119 Å²	119	120.7 Å²	120.7	77%	0.773	77%	0.767	S	S	*	*				-111.9	-168.1	-118.9	41.4	-23.3	0	0	0	115.2
325	P	52	Low	34.7	Very low	118 Å²	118	116.1 Å²	116.1	77%	0.766	76%	0.759	S	S	*	*			cis	-139.6	-155	16	44.1	-20.4	0	0	0	115.1
326	Q	36.1	Very low	34.5	Very low	151 Å²	151	116.6 Å²	116.6	71%	0.706	76%	0.763	S	S	*	*			cis	-147.2	-79.4	2.6	-147.9	-146.8	129.8	0	0	117.9
327	K	33.3	Very low	34.5	Very low	163 Å²	163	112 Å²	112	71%	0.709	76%	0.757	S	S	*	*			trans	-156.3	167.8	-160.6	-71.5	-174.4	-166.8	163.4	0	112.6
328	A	30.3	Very low	34.5	Very low	89 Å²	89	113 Å²	113	74%	0.736	75%	0.75	S	S	*	*			cis	85.5	164.2	15.1	0	0	0	0	0	116.4
329	P	51.5	Low	34.7	Very low	105 Å²	105	114 Å²	114	68%	0.682	75%	0.745	S	S	*	*			cis	-144	-179	-6.5	36.7	-14.2	0	0	0	118.4
330	S	33.9	Very low	34.9	Very low	104 Å²	104	110.4 Å²	110.4	73%	0.727	73%	0.733	S	S	*	*			trans	61.6	159	142.3	53.5	0	0	0	0	123.9
331	S	34.4	Very low	35	Very low	99 Å²	99	111.7 Å²	111.7	69%	0.692	73%	0.732	S	S	*	*			cis	-173.7	160.5	-24.1	58.7	0	0	0	0	114.6
332	S	32.2	Very low	34.8	Very low	95 Å²	95	110.2 Å²	110.2	66%	0.664	73%	0.727	S	S	*	*			trans	66.6	143	138.5	60.2	0	0	0	0	126.4
333	T	29.3	Very low	33.6	Very low	140 Å²	140	108.9 Å²	108.9	86%	0.859	73%	0.727	S	S	*	*			trans	80.2	178.1	145.7	40.6	0	0	0	0	121.5
334	S	28.8	Very low	33.2	Very low	101 Å²	101	108.8 Å²	108.8	71%	0.706	73%	0.726	S	S	*	*			trans	-136.9	178.7	-139.4	60.3	0	0	0	0	116.6
335	S	29.5	Very low	31.8	Very low	99 Å²	99	112.2 Å²	112.2	69%	0.692	73%	0.734	S	S	*	*			trans	83	137.4	146.9	35.4	0	0	0	0	122.6
336	S	27.1	Very low	30.5	Very low	104 Å²	104	111.1 Å²	111.1	73%	0.727	74%	0.735	S	S	*	*			trans	74	130.3	144.3	56	0	0	0	0	122.9
337	S	27.6	Very low	30.1	Very low	110 Å²	110	110.1 Å²	110.1	77%	0.769	74%	0.74	S	S	*	*			trans	63.8	144.6	148.4	45.3	0	0	0	0	120
338	S	28.6	Very low	29.8	Very low	101 Å²	101	107.3 Å²	107.3	71%	0.706	74%	0.74	S	S	*	*			cis	-167.4	178.4	-13	52	0	0	0	0	110
339	S	29	Very low	29.6	Very low	100 Å²	100	112.5 Å²	112.5	70%	0.699	75%	0.746	S	S	*	*			trans	29.5	141.7	143.2	61.1	0	0	0	0	121.9
340	S	29.8	Very low	28.5	Very low	98 Å²	98	113.1 Å²	113.1	69%	0.685	75%	0.748	S	S	*	*			cis	-178.7	172.2	-11.3	51.3	0	0	0	0	108.8
341	S	29.6	Very low	28.1	Very low	95 Å²	95	115.8 Å²	115.8	66%	0.664	75%	0.746	S	S	*	*			trans	50.2	115.3	144.1	60.6	0	0	0	0	121.9
342	S	26.9	Very low	27.7	Very low	108 Å²	108	118 Å²	118	76%	0.755	75%	0.746	S	S	*	*			trans	69	135.7	130.6	66.2	0	0	0	0	123.5
343	A	24.8	Very low	27.7	Very low	98 Å²	98	121.5 Å²	121.5	81%	0.81	75%	0.752	S	S	*	*			trans	69.2	154.2	146.4	0	0	0	0	0	119.4
344	A	25	Very low	27.5	Very low	88 Å²	88	123 Å²	123	73%	0.727	75%	0.749	S	S	*	*			cis	-166	159.9	-26.7	0	0	0	0	0	110.8
345	M	27.5	Very low	27.5	Very low	191 Å²	191	120.9 Å²	120.9	94%	0.941	74%	0.737	S	S	*	*			trans	53.4	130.5	159.9	-66.2	-168.5	-177.6	0	0	121.7
346	A	26.3	Very low	27.4	Very low	94 Å²	94	122.5 Å²	122.5	78%	0.777	74%	0.743	S	S	*	*			trans	-151.5	94.6	146.2	0	0	0	0	0	112.1
347	T	26.3	Very low	27.4	Very low	131 Å²	131	126.1 Å²	126.1	80%	0.804	75%	0.746	S	S	*	*			trans	16.3	140.7	143.9	60.6	0	0	0	0	120
348	S	27.1	Very low	27.3	Very low	103 Å²	103	128.2 Å²	128.2	72%	0.72	74%	0.744	S	S	*	*				-179.5	146	66.6	46.3	0	0	0	0	115.4
349	K	26.8	Very low	27.2	Very low	199 Å²	199	131.8 Å²	131.8	87%	0.865	75%	0.749	S	S	*	*			trans	53.3	147.2	137.9	-74.3	-167.8	176.1	-174.4	0	120.7
350	V	27.9	Very low	27.2	Very low	118 Å²	118	130.3 Å²	130.3	72%	0.715	74%	0.743	S	S	*	*			cis	-168.2	152.3	-11	109.2	0	0	0	0	105.7
351	K	26.3	Very low	27.1	Very low	159 Å²	159	134 Å²	134	69%	0.691	75%	0.754	S	S	*	*				-173.5	151.1	68.7	-162.4	162.7	177	-173.3	0	113.5
352	E	26	Very low	26.9	Very low	145 Å²	145	132.8 Å²	132.8	68%	0.678	76%	0.756	S	S	*	*			trans	-1.5	148.2	162.9	-64.9	133.1	-127.1	0	0	122.5
353	E	31.1	Very low	27	Very low	169 Å²	169	136.2 Å²	136.2	79%	0.79	76%	0.761	S	S	*	*			cis	-150.3	-113.3	-26.8	-161.3	-166.3	91.3	0	0	111.7	A355	E353-A355 PolarHBondContact OE1-N 3.15Å
354	E	25.5	Very low	27.1	Very low	172 Å²	172	139 Å²	139	80%	0.804	75%	0.754	S	S	*	*			cis	-156.9	144.7	0	-154.8	-173.9	121.3	0	0	113.5
355	A	29.9	Very low	27.2	Very low	56 Å²	56	141.1 Å²	141.1	46%	0.463	75%	0.753	S	S	.	*			trans	56.4	95.6	152.6	0	0	0	0	0	124.4	E353	E353-A355 PolarHBondContact OE1-N 3.15Å
356	T	26.1	Very low	27.4	Very low	134 Å²	134	137 Å²	137	82%	0.822	75%	0.75	S	S	*	*			trans	71.9	153.3	135.9	70.7	0	0	0	0	120.4
357	K	27.8	Very low	27.7	Very low	179 Å²	179	138.8 Å²	138.8	78%	0.778	76%	0.757	S	S	*	*			cis	-149.6	179.1	8.1	-142.6	175.4	177.4	-173.6	0	113.7
358	E	25.6	Very low	27.9	Very low	154 Å²	154	136 Å²	136	72%	0.72	75%	0.753	S	S	*	*			trans	-66	174.2	177.7	-52.6	145.5	124.6	0	0	113.3
359	E	26.5	Very low	28.3	Very low	176 Å²	176	136.9 Å²	136.9	82%	0.822	76%	0.76	S	S	*	*			cis	-159.4	171.1	13.2	-149.2	-169.3	157.4	0	0	112.6
360	A	28.9	Very low	29	Very low	69 Å²	69	133.5 Å²	133.5	57%	0.57	76%	0.756	S	S	*	*			trans	67.4	125.4	141.3	0	0	0	0	0	124
361	L	26.5	Very low	29.9	Very low	177 Å²	177	133.6 Å²	133.6	93%	0.927	75%	0.752	S	S	*	*			trans	63	124.2	136.4	-64.1	169.4	0	0	0	122.1
362	G	25.6	Very low	30.9	Very low	68 Å²	68	133.1 Å²	133.1	70%	0.701	76%	0.757	S	S	*	*				122.8	81.6	104.7	0	0	0	0	0	120.6
363	Q	28.9	Very low	31.6	Very low	181 Å²	181	133.5 Å²	133.5	85%	0.846	76%	0.756	S	S	*	*			trans	62.3	133.6	145.1	-58	-168.4	5.8	0	0	122.8
364	K	27.6	Very low	32.5	Very low	155 Å²	155	131.5 Å²	131.5	67%	0.674	75%	0.747	S	S	*	*			trans	86.6	145.1	130.3	-95.9	177.3	133.1	-70	0	122.7
365	D	27.6	Very low	33.5	Very low	133 Å²	133	131.2 Å²	131.2	71%	0.711	74%	0.743	S	S	*	*			trans	70.5	144.5	156.4	-55.2	-24.7	0	0	0	118.4
366	A	30.7	Very low	34.7	Very low	105 Å²	105	134.8 Å²	134.8	87%	0.868	75%	0.748	S	S	*	*			trans	-147.1	150	-161.2	0	0	0	0	0	111.3
367	S	32.7	Very low	35.8	Very low	132 Å²	132	133.2 Å²	133.2	92%	0.923	73%	0.734	S	S	*	*			trans	-177	170.2	150.2	-166	0	0	0	0	110.1
368	G	30.7	Very low	36.7	Very low	71 Å²	71	131.2 Å²	131.2	73%	0.732	73%	0.732	S	S	*	*			trans	107.5	46.1	160.9	0	0	0	0	0	117.3	T370	G368-T370 PolarHBondContact O-N 3.38Å
369	S	36.5	Very low	37.6	Very low	122 Å²	122	129.6 Å²	129.6	85%	0.853	73%	0.728	S	S	*	*			trans	-86.1	107.2	177.8	59.4	0	0	0	0	113.9
370	T	40.6	Very low	38.5	Very low	128 Å²	128	124.8 Å²	124.8	79%	0.785	71%	0.713	S	S	*	*			trans	-136.2	105	158.7	52.9	0	0	0	0	109.9	G368	G368-T370 PolarHBondContact O-N 3.38Å
371	N	47.5	Very low	39	Very low	120 Å²	120	129.5 Å²	129.5	64%	0.642	72%	0.723	S	S	*	*			trans	169.3	71.3	151.9	-90.5	-2.5	0	0	0	111.8	E374	N371-E374 PolarHBondContact ND2-OE2 3.44Å
372	L	47.7	Very low	39.7	Very low	149 Å²	149	124.9 Å²	124.9	78%	0.78	71%	0.71	S	S	*	*	S	Bend	trans	-108.8	-21.6	168.4	-156.6	69.6	0	0	0	112.8	F376	L372-F376 PolarHBondContact O-N 3.43Å
373	F	39	Very low	40.3	Very low	154 Å²	154	130.7 Å²	130.7	68%	0.675	72%	0.716	S	S	*	*	S	Bend	trans	-75.7	-41.5	-174.7	-157.6	-107.1	0	0	0	113.1	K375 F376 L377	F373-K375 VanDerWaalsContact C-N 3.29Å; F373-K375 PolarHBondContact O-N 2.82Å; F373-F376 WeakPolarHBondContact O-CB 3.4Å; F373-F376 PolarHBondContact O-N 3.14Å; F373-L377 HydrophobicContact CD1-CD1 4.09Å; F373-L377 HydrophobicContact CE1-CD1 4.06Å; F373-L377 HydrophobicContact CE1-CG 4.42Å; F373-L377 PolarHBondContact O-N 3.41Å
374	E	50.1	Low	40.6	Very low	127 Å²	127	129.7 Å²	129.7	59%	0.593	72%	0.717	S	S	*	*	H	α-helix	trans	-60.9	-38.2	176	-61.5	-174.6	132.9	0	0	112.3	N371 F376 L377 L378	N371-E374 PolarHBondContact ND2-OE2 3.44Å; E374-F376 PolarHBondContact O-N 3.32Å; E374-L377 PolarHBondContact O-N 3.12Å; E374-L378 PolarHBondContact O-N 2.9Å
375	K	46.8	Very low	40.9	Very low	166 Å²	166	133.3 Å²	133.3	72%	0.722	73%	0.726	S	S	*	*	H	α-helix	trans	-69.2	-17.4	174.6	-93.2	-175.4	174.6	176.6	0	114.1	F373	F373-K375 VanDerWaalsContact C-N 3.29Å; F373-K375 PolarHBondContact O-N 2.82Å
376	F	55.9	Low	41.2	Very low	130 Å²	130	131.4 Å²	131.4	57%	0.57	73%	0.729	S	S	*	*	H	α-helix	trans	-79.7	-51.1	172.3	-173.8	-100	0	0	0	110.5	L372 F373 E374 L378 N379 C380	L372-F376 PolarHBondContact O-N 3.43Å; F373-F376 WeakPolarHBondContact O-CB 3.4Å; F373-F376 PolarHBondContact O-N 3.14Å; E374-F376 PolarHBondContact O-N 3.32Å; F376-L378 PolarHBondContact O-N 3.32Å; F376-N379 PolarHBondContact O-N 2.85Å; F376-C380 PolarHBondContact O-N 2.72Å
377	L	49.2	Very low	41.4	Very low	101 Å²	101	132.5 Å²	132.5	53%	0.529	73%	0.728	S	S	.	*	H	α-helix	trans	-56.5	-47.2	-179.2	-65.9	172.9	0	0	0	112.2	F373 E374 N379 C380	F373-L377 HydrophobicContact CD1-CD1 4.09Å; F373-L377 HydrophobicContact CE1-CD1 4.06Å; F373-L377 HydrophobicContact CE1-CG 4.42Å; F373-L377 PolarHBondContact O-N 3.41Å; E374-L377 PolarHBondContact O-N 3.12Å; L377-N379 PolarHBondContact O-N 3.01Å; L377-N379 VanDerWaalsContact O-N 3.11Å; L377-C380 PolarHBondContact O-N 3.34Å
378	L	45.5	Very low	41.3	Very low	138 Å²	138	137.9 Å²	137.9	72%	0.723	73%	0.727	S	S	*	*	H	α-helix	trans	-64.3	-16.6	179.9	-137	78.6	0	0	0	114.2	E374 F376	E374-L378 PolarHBondContact O-N 2.9Å; F376-L378 PolarHBondContact O-N 3.32Å
379	N	45.6	Very low	41.2	Very low	120 Å²	120	146 Å²	146	64%	0.642	74%	0.736	S	S	*	*	H	α-helix	trans	-99.6	-12.5	-177.8	-155.1	17.7	0	0	0	112.7	F376 L377	F376-N379 PolarHBondContact O-N 2.85Å; L377-N379 PolarHBondContact O-N 3.01Å; L377-N379 VanDerWaalsContact O-N 3.11Å
380	C	44.1	Very low	41	Very low	74 Å²	74	145.5 Å²	145.5	50%	0.5	73%	0.73	S	S	.	*	H	α-helix	trans	-79.6	-40.5	171.3	-70.1	0	0	0	0	111.9	F376 L377 A382 K383	F376-C380 PolarHBondContact O-N 2.72Å; L377-C380 PolarHBondContact O-N 3.34Å; C380-A382 PolarHBondContact O-N 3.24Å; C380-K383 PolarHBondContact O-N 3.5Å
381	E	40.3	Very low	40.7	Very low	168 Å²	168	144.9 Å²	144.9	79%	0.785	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-65.6	-23.9	-178	-164.4	176.5	175.3	0	0	113.3	K383	E381-K383 VanDerWaalsContact C-N 3.29Å; E381-K383 PolarHBondContact O-N 2.97Å
382	A	41.8	Very low	40.1	Very low	80 Å²	80	145.4 Å²	145.4	66%	0.661	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-76.5	-4.5	-175.8	0	0	0	0	0	115.4	C380	C380-A382 PolarHBondContact O-N 3.24Å
383	K	36.8	Very low	39	Very low	190 Å²	190	142.5 Å²	142.5	83%	0.826	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-111.1	-7.7	-163.8	-132.5	170.5	-172.8	174.1	0	117	C380 E381	C380-K383 PolarHBondContact O-N 3.5Å; E381-K383 VanDerWaalsContact C-N 3.29Å; E381-K383 PolarHBondContact O-N 2.97Å
384	D	35.5	Very low	38.4	Very low	161 Å²	161	140.5 Å²	140.5	86%	0.861	74%	0.736	S	S	*	*			trans	-106.7	65.2	-177.5	-153.8	-2.7	0	0	0	112.6
385	R	34.3	Very low	37.1	Very low	230 Å²	230	144 Å²	144	87%	0.868	75%	0.753	S	S	*	*			trans	-144.1	82.6	-178	-155.8	179.3	-165.3	96.1	-4.6	112.9
386	A	34.8	Very low	36.1	Very low	94 Å²	94	145 Å²	145	78%	0.777	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-62.3	134.3	176.7	0	0	0	0	0	112.6
387	P	33.7	Very low	34.6	Very low	128 Å²	128	144.8 Å²	144.8	83%	0.831	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-78.3	134.9	-176.1	29.9	-34.5	0	0	0	113
388	R	30.4	Very low	33.4	Very low	244 Å²	244	144.8 Å²	144.8	92%	0.921	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-71.8	137.9	170.8	-73.6	-178.7	174.4	168.4	-1.9	111.1
389	R	29.3	Very low	32.5	Very low	242 Å²	242	143 Å²	143	91%	0.913	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-78.7	129.9	174.5	-146.8	179.4	-157	168.5	6.2	110.3
390	P	31.6	Very low	31.7	Very low	111 Å²	111	147.2 Å²	147.2	72%	0.721	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-76.5	159.9	173.9	31.4	-34.7	0	0	0	112.2
391	P	35	Very low	31.7	Very low	115 Å²	115	149 Å²	149	75%	0.747	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-81.8	158.8	-179.3	34.1	-36.3	0	0	0	113.3
392	P	33.9	Very low	31	Very low	132 Å²	132	147 Å²	147	86%	0.857	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.4	151.9	168.7	31.6	-35.1	0	0	0	111.5
393	A	25.6	Very low	30.3	Very low	88 Å²	88	152.3 Å²	152.3	73%	0.727	81%	0.81	S	S	*	*			trans	-108.2	137.8	-172.8	0	0	0	0	0	113.8
394	T	25.5	Very low	29.8	Very low	112 Å²	112	148.1 Å²	148.1	69%	0.687	80%	0.8	S	S	*	*			trans	40.3	120.6	146.8	60.4	0	0	0	0	120.9
395	E	23.5	Very low	29.3	Very low	201 Å²	201	148 Å²	148	94%	0.939	80%	0.795	S	S	*	*				-116.6	166.8	126	-72.3	-152.3	146	0	0	110
396	K	26	Very low	28.8	Very low	185 Å²	185	142.7 Å²	142.7	80%	0.804	79%	0.787	S	S	*	*			trans	-132.3	124.2	-168	-65.8	175.8	-179	171.2	0	113.4
397	S	24	Very low	28.4	Very low	126 Å²	126	142.4 Å²	142.4	88%	0.881	78%	0.78	S	S	*	*			trans	173.4	148.8	146.1	35.1	0	0	0	0	109.5
398	S	23.5	Very low	28	Very low	102 Å²	102	142 Å²	142	71%	0.713	78%	0.775	S	S	*	*			cis	-155.3	170.7	-8.4	50.3	0	0	0	0	111.8
399	S	27.4	Very low	27.8	Very low	100 Å²	100	136.1 Å²	136.1	70%	0.699	77%	0.766	S	S	*	*			trans	57.6	88.9	151.8	56.9	0	0	0	0	121.7
400	K	29.3	Very low	27.6	Very low	208 Å²	208	131.7 Å²	131.7	90%	0.904	76%	0.76	S	S	*	*				63.3	160.7	114.8	-78.8	-166.5	172.9	-178.3	0	122
401	P	43	Very low	27.3	Very low	112 Å²	112	134.7 Å²	134.7	73%	0.727	76%	0.764	S	S	*	*			trans	-133.5	175.2	-146.3	44.9	-29.9	0	0	0	117.4
402	T	25.7	Very low	26.9	Very low	126 Å²	126	133.9 Å²	133.9	77%	0.773	76%	0.757	S	S	*	*			trans	-145.7	129.9	152	17.8	0	0	0	0	108.5
403	K	26.7	Very low	26.5	Very low	192 Å²	192	135.2 Å²	135.2	84%	0.835	75%	0.752	S	S	*	*				62.3	138.6	94	-70.9	-163.8	173.3	-174.3	0	113.6
404	V	26.5	Very low	26.5	Very low	101 Å²	101	137.5 Å²	137.5	61%	0.612	76%	0.756	S	S	*	*			cis	-157.8	158.6	9	108.4	0	0	0	0	112.5
405	Q	25.8	Very low	26.4	Very low	160 Å²	160	135.7 Å²	135.7	75%	0.748	76%	0.76	S	S	*	*			trans	-2.5	167	150.5	-48.9	156.7	-54	0	0	120.5
406	T	24.1	Very low	26.5	Very low	117 Å²	117	131.8 Å²	131.8	72%	0.718	76%	0.755	S	S	*	*			cis	-158.9	178.8	19.4	-20.7	0	0	0	0	112.7
407	S	25.9	Very low	26.7	Very low	89 Å²	89	133.2 Å²	133.2	62%	0.622	76%	0.756	S	S	*	*			trans	-33.5	176.8	164	63.1	0	0	0	0	119
408	T	24.9	Very low	27	Very low	118 Å²	118	133.7 Å²	133.7	72%	0.724	75%	0.748	S	S	*	*			cis	-161.8	122.8	32.9	-32.1	0	0	0	0	111.5
409	V	25.9	Very low	27.5	Very low	122 Å²	122	135.1 Å²	135.1	74%	0.739	76%	0.755	S	S	*	*				50.2	140.5	101.1	-147.8	0	0	0	0	118.8
410	L	26.6	Very low	28.1	Very low	148 Å²	148	138 Å²	138	78%	0.775	76%	0.761	S	S	*	*			trans	90	115.2	167.9	-58.4	-177.9	0	0	0	116.8
411	H	24.1	Very low	28.7	Very low	174 Å²	174	133.7 Å²	133.7	81%	0.806	75%	0.752	S	S	*	*				83.5	138.7	79.1	-107.1	45.4	0	0	0	113.2
412	V	26	Very low	28.3	Very low	99 Å²	99	134.5 Å²	134.5	60%	0.6	75%	0.75	S	S	*	*			cis	-161.6	156.4	6.4	72.8	0	0	0	0	114
413	Q	26	Very low	28.9	Very low	160 Å²	160	134.3 Å²	134.3	75%	0.748	75%	0.749	S	S	*	*			trans	69.6	143.5	151.4	-95.3	162.9	-49.3	0	0	126.7
414	T	25.1	Very low	29.4	Very low	135 Å²	135	132.7 Å²	132.7	83%	0.828	75%	0.748	S	S	*	*			trans	65.4	131.2	150.2	49.2	0	0	0	0	121.8
415	G	24.3	Very low	30	Very low	75 Å²	75	131.6 Å²	131.6	77%	0.773	74%	0.742	S	S	*	*			trans	168.7	17.8	161.5	0	0	0	0	0	126.2
416	S	26.4	Very low	30.4	Very low	118 Å²	118	132.6 Å²	132.6	83%	0.825	74%	0.744	S	S	*	*			trans	67.6	157	161	-150.9	0	0	0	0	121.2
417	R	28.4	Very low	31	Very low	216 Å²	216	135.4 Å²	135.4	82%	0.815	75%	0.747	S	S	*	*			trans	72.7	130.8	163	-76.4	176.2	-177.1	162.8	0.1	122.7
418	D	31.3	Very low	31.5	Very low	136 Å²	136	139.7 Å²	139.7	73%	0.727	75%	0.749	S	S	*	*			trans	58.8	114.1	140.8	-45.4	-21.7	0	0	0	121.8
419	P	34.5	Very low	31.9	Very low	131 Å²	131	140.5 Å²	140.5	85%	0.851	75%	0.749	S	S	*	*			trans	-112.7	56.6	179.6	42	-34.3	0	0	0	115.3
420	I	40.3	Very low	32.3	Very low	160 Å²	160	139.5 Å²	139.5	82%	0.821	75%	0.747	S	S	*	*			trans	-127.9	74.9	172	-48.9	-179.1	0	0	0	111.5
421	T	40.5	Very low	32.8	Very low	118 Å²	118	142.3 Å²	142.3	72%	0.724	75%	0.749	S	S	*	*	S	Bend	trans	-158.7	0.1	169.5	-9.9	0	0	0	0	116.6
422	N	35.7	Very low	33.5	Very low	130 Å²	130	143.4 Å²	143.4	70%	0.695	75%	0.748	S	S	*	*	S	Bend	trans	-107.5	9.6	-163.5	-90.2	-33.1	0	0	0	117.7	T425	N422-T425 PolarHBondContact O-OG1 3.4Å
423	V	38.1	Very low	33.9	Very low	122 Å²	122	148 Å²	148	74%	0.739	76%	0.76	S	S	*	*	S	Bend	trans	-90.4	-33.6	175.5	-176.2	0	0	0	0	112.3
424	L	36.6	Very low	34.2	Very low	158 Å²	158	148.3 Å²	148.3	83%	0.827	77%	0.766	S	S	*	*	S	Bend	trans	-81.7	-13.4	-177	-74.8	170.3	0	0	0	114.5
425	T	39	Very low	34.7	Very low	77 Å²	77	150.1 Å²	150.1	47%	0.472	77%	0.768	S	S	.	*	S	Bend	trans	-80.6	-38.1	177.9	41.2	0	0	0	0	112.4	N422 F427 R428	N422-T425 PolarHBondContact O-OG1 3.4Å; T425-F427 VanDerWaalsContact C-N 3.32Å; T425-F427 PolarHBondContact O-N 2.87Å; T425-R428 PolarHBondContact O-N 3.49Å
426	F	33.6	Very low	34.8	Very low	181 Å²	181	149.6 Å²	149.6	79%	0.794	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-26.1	-173.5	-114.8	-84.6	0	0	0	115.1
427	F	36.7	Very low	34.9	Very low	176 Å²	176	153.6 Å²	153.6	77%	0.772	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-15.8	177.4	-89.3	-85.2	0	0	0	114.2	T425	T425-F427 VanDerWaalsContact C-N 3.32Å; T425-F427 PolarHBondContact O-N 2.87Å
428	R	37.6	Very low	35	Very low	180 Å²	180	150.2 Å²	150.2	68%	0.679	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-30.3	-170.1	-152.9	171.8	77	168.2	4.1	113.9	T425	T425-R428 PolarHBondContact O-N 3.49Å
429	D	33.1	Very low	34.7	Very low	134 Å²	134	152.9 Å²	152.9	72%	0.717	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-20	-176.4	-79.7	9.5	0	0	0	113.7	Y431	D429-Y431 VanDerWaalsContact C-N 3.27Å; D429-Y431 PolarHBondContact O-N 2.88Å
430	S	35	Very low	34.4	Very low	101 Å²	101	154.5 Å²	154.5	71%	0.706	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-15.8	179.8	-167.1	0	0	0	0	114
431	Y	36.6	Very low	34	Very low	207 Å²	207	154.1 Å²	154.1	81%	0.812	76%	0.762	S	S	*	*	S	Bend	trans	-94.3	-19.1	-174.6	-116.7	-92.8	0	0	0	114.5	D429 K433	D429-Y431 VanDerWaalsContact C-N 3.27Å; D429-Y431 PolarHBondContact O-N 2.88Å; Y431-K433 PolarHBondContact O-N 3.09Å; Y431-K433 VanDerWaalsContact O-N 3.16Å
432	Y	38.1	Very low	34.1	Very low	198 Å²	198	154.2 Å²	154.2	78%	0.776	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	14.3	-175.2	-87.2	-75.2	0	0	0	115.3
433	K	34.6	Very low	33.7	Very low	195 Å²	195	157.6 Å²	157.6	85%	0.848	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	3.6	-172	-147	172.3	-175.6	175.5	0	115.8	Y431	Y431-K433 PolarHBondContact O-N 3.09Å; Y431-K433 VanDerWaalsContact O-N 3.16Å
434	L	33.7	Very low	34.1	Very low	167 Å²	167	157.2 Å²	157.2	87%	0.874	77%	0.773	S	S	*	*	S	Bend	trans	-119.7	0.7	-174.3	-152.7	64.8	0	0	0	115.8
435	I	34.3	Very low	33.4	Very low	172 Å²	172	155.1 Å²	155.1	88%	0.882	77%	0.767	S	S	*	*			trans	-128.3	114.4	172.8	-58.1	-179	0	0	0	110.1
436	G	27.6	Very low	32.9	Very low	64 Å²	64	159.5 Å²	159.5	66%	0.66	78%	0.779	S	S	*	*			trans	-177	129.7	172.7	0	0	0	0	0	113.1
437	K	27.9	Very low	32.3	Very low	202 Å²	202	158.1 Å²	158.1	88%	0.878	78%	0.775	S	S	*	*			trans	73.2	115.2	-174.4	-50.2	172.4	-175.2	179.5	0	112.3
438	I	30.1	Very low	31.9	Very low	145 Å²	145	155 Å²	155	74%	0.744	78%	0.776	S	S	*	*			cis	69.4	109.4	21.1	-44	173.6	0	0	0	114.6
439	E	24.8	Very low	32.1	Very low	193 Å²	193	151.8 Å²	151.8	90%	0.902	78%	0.778	S	S	*	*			trans	-153.4	178.4	135.4	-122.5	163.6	-155.4	0	0	112.2
440	K	28.4	Very low	31.8	Very low	165 Å²	165	150.3 Å²	150.3	72%	0.717	78%	0.778	S	S	*	*			trans	-140.3	147.7	-137.6	-74.6	175.1	172.3	177.1	0	116.2
441	I	31.7	Very low	31.5	Very low	151 Å²	151	152.2 Å²	152.2	77%	0.774	78%	0.776	S	S	*	*			trans	70.9	156.5	142	-70	167.9	0	0	0	115.8
442	P	42.1	Very low	31	Very low	120 Å²	120	151.1 Å²	151.1	78%	0.779	78%	0.776	S	S	*	*			cis	-127	-176.5	5.1	23.6	2.1	0	0	0	118.2
443	K	28.3	Very low	30.3	Very low	201 Å²	201	146.2 Å²	146.2	87%	0.874	78%	0.776	S	S	*	*			trans	-83.4	-179.8	166.4	-90.2	-178.7	179.8	-178.1	0	112.1
444	P	47.5	Very low	29.8	Very low	115 Å²	115	145.7 Å²	145.7	75%	0.747	78%	0.776	S	S	*	*			cis	-138.3	-165.8	33.4	31.4	-3.1	0	0	0	114.8
445	T	21.5	Very low	30.7	Very low	114 Å²	114	142.9 Å²	142.9	70%	0.699	77%	0.768	S	S	*	*			cis	-162.6	153.4	36.9	51.3	0	0	0	0	115.6
446	K	27.1	Very low	30.2	Very low	168 Å²	168	141.6 Å²	141.6	73%	0.73	76%	0.758	S	S	*	*			trans	48.3	155.4	140.8	-74.3	-179	158.2	-133.8	0	121.6
447	E	22.5	Very low	30.3	Very low	152 Å²	152	148.7 Å²	148.7	71%	0.71	77%	0.765	S	S	*	*			cis	-154.8	-172.8	-1.4	-130.6	152.7	-170.6	0	0	112.2
448	S	26.8	Very low	30.3	Very low	112 Å²	112	145.2 Å²	145.2	78%	0.783	76%	0.761	S	S	*	*			trans	-117.7	-166.5	-178.1	-46.3	0	0	0	0	111.5
449	P	41.8	Very low	30	Very low	111 Å²	111	145.1 Å²	145.1	72%	0.721	76%	0.757	S	S	*	*			cis	-144.9	-172.9	-1.7	44.7	-24.9	0	0	0	118.2
450	S	27.3	Very low	30	Very low	104 Å²	104	146 Å²	146	73%	0.727	75%	0.752	S	S	*	*			trans	70.5	168.5	149.6	-71.4	0	0	0	0	122.3
451	Q	29.8	Very low	29.8	Very low	140 Å²	140	144.2 Å²	144.2	65%	0.654	76%	0.755	S	S	*	*			cis	-176.9	145	-37	-170.1	-172.6	128.4	0	0	112.2
452	K	25.2	Very low	29.6	Very low	185 Å²	185	145.7 Å²	145.7	80%	0.804	76%	0.756	S	S	*	*			trans	72.2	152.1	159.4	-94.6	171.2	-171.4	162.1	0	119.3
453	A	24.6	Very low	28.9	Very low	95 Å²	95	147.6 Å²	147.6	79%	0.785	76%	0.755	S	S	*	*			cis	-153	173.8	1.1	0	0	0	0	0	113.9
454	E	23.1	Very low	28.8	Very low	184 Å²	184	143.4 Å²	143.4	86%	0.86	75%	0.751	S	S	*	*			trans	-99	-154.6	174.2	-52.1	-173.4	134.9	0	0	111.8
455	P	53.4	Low	27.9	Very low	107 Å²	107	145.6 Å²	145.6	70%	0.695	76%	0.756	S	S	*	*			cis	-145.6	-172.8	-3.9	44.8	-24.4	0	0	0	118.2
456	E	23.6	Very low	28.2	Very low	145 Å²	145	143.8 Å²	143.8	68%	0.678	76%	0.76	S	S	*	*			trans	168.8	127.3	136.2	-80.6	-104.9	109.4	0	0	108.5
457	R	28.8	Very low	28.3	Very low	214 Å²	214	145.7 Å²	145.7	81%	0.808	77%	0.768	S	S	*	*				79.7	140.8	67.5	-89.1	167.8	162.3	-177	-1.8	114.6
458	T	27.2	Very low	28.6	Very low	129 Å²	129	142.7 Å²	142.7	79%	0.791	77%	0.769	S	S	*	*			cis	-142.5	166.4	13.7	49.2	0	0	0	0	116.6
459	E	24.4	Very low	28.6	Very low	142 Å²	142	142.8 Å²	142.8	66%	0.664	78%	0.777	S	S	*	*			trans	-44.5	141.7	169.5	-65	-174.6	100.3	0	0	119
460	R	24.5	Very low	27.9	Very low	212 Å²	212	140.7 Å²	140.7	80%	0.8	78%	0.775	S	S	*	*				71.5	127.6	88.4	-57.4	170.1	161.8	163.6	-14.5	118.8
461	T	24.9	Very low	27.9	Very low	127 Å²	127	146 Å²	146	78%	0.779	79%	0.786	S	S	*	*				-171.4	129.4	118.1	18.9	0	0	0	0	113.9
462	K	27	Very low	27.9	Very low	183 Å²	183	143.9 Å²	143.9	80%	0.796	79%	0.786	S	S	*	*			trans	56.4	156.3	146.9	-64.4	179.9	179.8	-178.9	0	121.2
463	Q	28	Very low	28.1	Very low	160 Å²	160	143.7 Å²	143.7	75%	0.748	79%	0.79	S	S	*	*			cis	-177.1	129.3	-25.2	175.3	170.8	-1.8	0	0	109.6
464	S	26.8	Very low	28.4	Very low	112 Å²	112	143.9 Å²	143.9	78%	0.783	78%	0.782	S	S	*	*			trans	164	172.7	131	52	0	0	0	0	113.9
465	D	28.1	Very low	28.4	Very low	162 Å²	162	142.5 Å²	142.5	87%	0.866	78%	0.781	S	S	*	*			trans	-71	171.8	-167.7	-48.6	-97.4	0	0	0	115.1
466	G	26.9	Very low	27.1	Very low	75 Å²	75	145.4 Å²	145.4	77%	0.773	78%	0.782	S	S	*	*			cis	-171.5	-144.9	10	0	0	0	0	0	116.8
467	K	29.8	Very low	27.3	Very low	208 Å²	208	144.1 Å²	144.1	90%	0.904	78%	0.78	S	S	*	*			trans	-64.6	174.7	-171	-63.4	167.3	-174.8	170.2	0	115.6
468	A	27.9	Very low	27.1	Very low	89 Å²	89	141.7 Å²	141.7	74%	0.736	78%	0.782	S	S	*	*			cis	-179.3	151.2	-32.5	0	0	0	0	0	111.7
469	A	28.6	Very low	27	Very low	115 Å²	115	147.1 Å²	147.1	95%	0.95	79%	0.788	S	S	*	*			trans	61.3	160.8	163.3	0	0	0	0	0	119.5
470	G	27.1	Very low	27	Very low	66 Å²	66	146.7 Å²	146.7	68%	0.68	79%	0.791	S	S	*	*			trans	-159.5	179.1	177.3	0	0	0	0	0	112.2
471	F	26.4	Very low	26.9	Very low	216 Å²	216	140.3 Å²	140.3	95%	0.947	78%	0.779	S	S	*	*			trans	-157.8	176.3	176.6	-122.1	-84.9	0	0	0	113.5
472	S	30.1	Very low	26.8	Very low	95 Å²	95	144.1 Å²	144.1	66%	0.664	79%	0.785	S	S	*	*			trans	-125.6	152.7	-179.8	56.2	0	0	0	0	112.8
473	M	29.7	Very low	26.7	Very low	181 Å²	181	139.7 Å²	139.7	89%	0.892	78%	0.777	S	S	*	*			trans	-158.4	-165.8	157.7	-145	52.4	-177.5	0	0	113
474	T	29.6	Very low	26.6	Very low	99 Å²	99	138.2 Å²	138.2	61%	0.607	78%	0.779	S	S	*	*			trans	-116	177	-155.6	47.9	0	0	0	0	113.9
475	D	24.2	Very low	26.5	Very low	156 Å²	156	139.2 Å²	139.2	83%	0.834	78%	0.775	S	S	*	*				178.9	-175.9	113.6	-91.2	3	0	0	0	114.2
476	K	25	Very low	26.5	Very low	167 Å²	167	135.9 Å²	135.9	73%	0.726	76%	0.764	S	S	*	*			trans	-152.1	132.1	-167.5	-172.7	176.2	-169.8	-52.2	0	112.7
477	D	28.3	Very low	26.3	Very low	119 Å²	119	138.7 Å²	138.7	64%	0.636	76%	0.762	S	S	*	*			trans	59.4	98.6	166.3	-49.4	-12	0	0	0	120.3
478	L	25.3	Very low	26.3	Very low	163 Å²	163	135.4 Å²	135.4	85%	0.853	75%	0.749	S	S	*	*			trans	168.8	146.1	132.4	-110.4	84	0	0	0	107.4
479	W	23.8	Very low	26.1	Very low	242 Å²	242	139.1 Å²	139.1	92%	0.917	75%	0.745	S	S	*	*			cis	-142.4	-156.7	20.2	-160.3	-2.8	0	0	0	110.8
480	D	24.4	Very low	26	Very low	133 Å²	133	140.5 Å²	140.5	71%	0.711	73%	0.731	S	S	*	*			trans	-135.2	154.4	-158.6	-165.1	-6.1	0	0	0	114.2
481	S	22.6	Very low	25.9	Very low	78 Å²	78	145.4 Å²	145.4	55%	0.545	74%	0.736	S	S	.	*			trans	60	107.3	155.3	-71.5	0	0	0	0	122
482	F	22.2	Very low	25.9	Very low	208 Å²	208	143.4 Å²	143.4	91%	0.912	73%	0.73	S	S	*	*				-152.3	117.1	118.4	-86.7	-79.8	0	0	0	105.8
483	S	26.1	Very low	25.6	Very low	89 Å²	89	143.6 Å²	143.6	62%	0.622	73%	0.732	S	S	*	*			cis	79.7	134.4	44.2	-55.5	0	0	0	0	114.4
484	V	26.1	Very low	25.3	Very low	130 Å²	130	141.7 Å²	141.7	79%	0.788	73%	0.73	S	S	*	*			trans	73.7	125.9	163.4	171.6	0	0	0	0	114.9
485	D	24.1	Very low	25.2	Very low	132 Å²	132	140.9 Å²	140.9	71%	0.706	74%	0.742	S	S	*	*			cis	-165.5	-176.8	-7.3	-130	-43.6	0	0	0	113
486	S	27.5	Very low	25.2	Very low	92 Å²	92	142.2 Å²	142.2	64%	0.643	74%	0.74	S	S	*	*			trans	71.4	148.4	147.2	-78.7	0	0	0	0	120.3
487	D	24.5	Very low	25.5	Very low	134 Å²	134	140 Å²	140	72%	0.717	74%	0.742	S	S	*	*			cis	-166.9	177.5	-20.9	-127.9	-56.1	0	0	0	113.2
488	E	28	Very low	25.4	Very low	139 Å²	139	144.2 Å²	144.2	65%	0.65	75%	0.75	S	S	*	*			trans	75.8	145.1	159.1	-56.4	-127.3	121.1	0	0	119.3
489	R	25.3	Very low	25.8	Very low	168 Å²	168	142.3 Å²	142.3	63%	0.634	75%	0.747	S	S	*	*			cis	-166	144.3	-18.1	168.9	174.5	-68.3	-89.6	-1.4	110
490	E	25.2	Very low	26	Very low	143 Å²	143	134.2 Å²	134.2	67%	0.668	73%	0.732	S	S	*	*			trans	11.5	164.3	146.5	-52.1	161.9	165.9	0	0	121.6
491	E	26.6	Very low	26	Very low	169 Å²	169	134.7 Å²	134.7	79%	0.79	73%	0.734	S	S	*	*			cis	-157.3	-168.6	-0.6	-136	-167.5	167.9	0	0	111.7
492	E	25.1	Very low	26.1	Very low	175 Å²	175	137.2 Å²	137.2	82%	0.818	74%	0.742	S	S	*	*			trans	70.8	153.1	156.3	-85.2	-156.3	121.2	0	0	119.6
493	S	24.5	Very low	26.3	Very low	99 Å²	99	131.3 Å²	131.3	69%	0.692	73%	0.726	S	S	*	*			cis	-144.8	177.7	2.5	51.5	0	0	0	0	113.8
494	T	22.8	Very low	26.6	Very low	140 Å²	140	138.2 Å²	138.2	86%	0.859	74%	0.739	S	S	*	*			trans	-54.4	155.7	-175.4	56.2	0	0	0	0	118.6
495	G	27.2	Very low	26.6	Very low	83 Å²	83	139.5 Å²	139.5	86%	0.856	74%	0.736	S	S	*	*			trans	-173.5	52.7	171.8	0	0	0	0	0	118.3
496	K	24.3	Very low	26.7	Very low	183 Å²	183	142.3 Å²	142.3	80%	0.796	74%	0.737	S	S	*	*			trans	-108.4	148.4	171.6	-93.4	173.8	-176.5	162.6	0	109.9
497	P	30.9	Very low	26.6	Very low	120 Å²	120	145.3 Å²	145.3	78%	0.779	74%	0.738	S	S	*	*				-133.2	171.6	64.8	43.7	-29.6	0	0	0	113.3
498	R	26.3	Very low	26.6	Very low	209 Å²	209	146.9 Å²	146.9	79%	0.789	74%	0.741	S	S	*	*			cis	62.7	160.6	36.8	-82.6	-168	173.3	-171.7	-3.8	113.8
499	P	34.5	Very low	26.6	Very low	123 Å²	123	151.6 Å²	151.6	80%	0.799	75%	0.753	S	S	*	*			cis	-108.4	-163.7	-3.4	8.1	18.3	0	0	0	111.6
500	A	27.1	Very low	26.8	Very low	72 Å²	72	147.8 Å²	147.8	60%	0.595	76%	0.757	S	S	*	*			cis	-179.6	151.8	-37.8	0	0	0	0	0	109.5
501	D	25.4	Very low	26.7	Very low	142 Å²	142	148.7 Å²	148.7	76%	0.759	77%	0.767	S	S	*	*			trans	49.9	167.3	133.5	-55.5	-34.4	0	0	0	121.2
502	D	24.6	Very low	26.6	Very low	132 Å²	132	149.6 Å²	149.6	71%	0.706	77%	0.771	S	S	*	*			cis	-128.3	154.5	2.9	-101.9	-63.4	0	0	0	109.2
503	S	26.4	Very low	26.6	Very low	83 Å²	83	145.3 Å²	145.3	58%	0.58	77%	0.766	S	S	*	*				64.9	114.3	62.7	120.8	0	0	0	0	113.8
504	R	32.3	Very low	26.8	Very low	235 Å²	235	149 Å²	149	89%	0.887	78%	0.777	S	S	*	*				74.3	125.7	87.1	-83.3	-176.4	168.5	173.9	-2.1	114.7
505	E	26.6	Very low	27	Very low	157 Å²	157	153.4 Å²	153.4	73%	0.734	78%	0.778	S	S	*	*			trans	-172.7	160.1	142.4	-87.8	-118	150.4	0	0	109.9
506	R	26.6	Very low	27.5	Very low	191 Å²	191	155.1 Å²	155.1	72%	0.721	77%	0.774	S	S	*	*			cis	-167.9	141.6	-33.6	-166.4	151.9	-179.8	-169.9	1.9	111.6
507	K	25.3	Very low	27.4	Very low	154 Å²	154	151.6 Å²	151.6	67%	0.67	77%	0.772	S	S	*	*			trans	26.3	129.3	142.1	-164.9	-170.3	152.8	-95.1	0	119.4
508	E	24	Very low	27.2	Very low	167 Å²	167	155.5 Å²	155.5	78%	0.78	77%	0.771	S	S	*	*				-162.8	169.9	106.8	-104.1	176.2	-173.5	0	0	114.2
509	R	27.2	Very low	27.1	Very low	239 Å²	239	152 Å²	152	90%	0.902	76%	0.764	S	S	*	*			trans	-155.6	130	-167.7	-168.7	-172.4	-165.6	112	0.9	112.2
510	A	29	Very low	26.6	Very low	88 Å²	88	156.6 Å²	156.6	73%	0.727	77%	0.765	S	S	*	*			trans	61.4	115.8	163.1	0	0	0	0	0	118
511	D	24.4	Very low	26.5	Very low	162 Å²	162	162.1 Å²	162.1	87%	0.866	77%	0.771	S	S	*	*				-150.8	166	120.9	-115.5	-38.1	0	0	0	111.2
512	E	23.2	Very low	26.6	Very low	187 Å²	187	160.8 Å²	160.8	87%	0.874	77%	0.772	S	S	*	*			trans	68.6	152.6	165.5	-73.4	-166.7	101.4	0	0	124.3
513	A	26.3	Very low	26.5	Very low	86 Å²	86	159.9 Å²	159.9	71%	0.711	78%	0.777	S	S	*	*			trans	70.4	89.9	151.3	0	0	0	0	0	122.1
514	L	28	Very low	26.5	Very low	176 Å²	176	160.1 Å²	160.1	92%	0.921	78%	0.783	S	S	*	*				38.3	130.1	115.2	-64.8	166.3	0	0	0	121.5
515	R	26.9	Very low	26.2	Very low	233 Å²	233	155.6 Å²	155.6	88%	0.879	78%	0.777	S	S	*	*			trans	-52.6	169.6	159.8	-69.5	179.1	172.9	-173.2	-0.9	114
516	P	37.2	Very low	26.2	Very low	119 Å²	119	152.7 Å²	152.7	77%	0.773	77%	0.767	S	S	*	*			cis	-138.1	-132.6	-41.8	41.6	-22.5	0	0	0	109.5
517	S	22.6	Very low	26.3	Very low	108 Å²	108	151.3 Å²	151.3	76%	0.755	76%	0.761	S	S	*	*			trans	102.6	134.2	165.9	-149.9	0	0	0	0	113.8
518	W	26.3	Very low	26.8	Very low	203 Å²	203	153.6 Å²	153.6	77%	0.769	77%	0.766	S	S	*	*			cis	-139.1	132.3	23.6	49.1	-77.4	0	0	0	113.8	R520	W518-R520 HydrophobicContact CE3-CB 3.95Å; W518-R520 HydrophobicContact CZ3-CB 4.08Å
519	E	24.7	Very low	27	Very low	136 Å²	136	153.6 Å²	153.6	64%	0.636	76%	0.763	S	S	*	*			trans	-68.8	152.1	142	-75.3	-175.4	143.5	0	0	108.3	R521	E519-R521 VanDerWaalsContact CD-NE 3.3Å; E519-R521 IonicContact OE1-CZ 2.73Å; E519-R521 IonicContact OE1-NE 3.38Å; E519-R521 PolarHBondContact OE1-NE 3.42Å; E519-R521 VanDerWaalsContact OE1-NE 3.16Å; E519-R521 IonicContact OE1-NH2 2.91Å; E519-R521 PolarHBondContact OE1-NH2 3.32Å; E519-R521 IonicContact OE2-CZ 2.81Å; E519-R521 IonicContact OE2-NE 3.52Å; E519-R521 PolarHBondContact OE2-NE 2.88Å; E519-R521 IonicContact OE2-NH2 3.87Å; E519-R521 PolarHBondContact OE2-NH2 3.08Å
520	R	25	Very low	27.1	Very low	219 Å²	219	152.5 Å²	152.5	83%	0.826	76%	0.759	S	S	*	*			trans	-129	103.1	144.7	-169.8	175.9	-67.6	-115.5	2.3	109.4	W518	W518-R520 HydrophobicContact CE3-CB 3.95Å; W518-R520 HydrophobicContact CZ3-CB 4.08Å
521	R	24.3	Very low	27	Very low	187 Å²	187	157.6 Å²	157.6	71%	0.706	76%	0.759	S	S	*	*			trans	-77.5	142.5	173.8	-59.6	179.9	179	-132.4	-16.3	111.3	E519	E519-R521 VanDerWaalsContact CD-NE 3.3Å; E519-R521 IonicContact OE1-CZ 2.73Å; E519-R521 IonicContact OE1-NE 3.38Å; E519-R521 PolarHBondContact OE1-NE 3.42Å; E519-R521 VanDerWaalsContact OE1-NE 3.16Å; E519-R521 IonicContact OE1-NH2 2.91Å; E519-R521 PolarHBondContact OE1-NH2 3.32Å; E519-R521 IonicContact OE2-CZ 2.81Å; E519-R521 IonicContact OE2-NE 3.52Å; E519-R521 PolarHBondContact OE2-NE 2.88Å; E519-R521 IonicContact OE2-NH2 3.87Å; E519-R521 PolarHBondContact OE2-NH2 3.08Å
522	S	26.9	Very low	27.2	Very low	114 Å²	114	155.4 Å²	155.4	80%	0.797	75%	0.748	S	S	*	*				-174.9	130.9	115.3	-104.6	0	0	0	0	107.6
523	S	23.6	Very low	27.3	Very low	114 Å²	114	153.9 Å²	153.9	80%	0.797	75%	0.745	S	S	*	*			cis	87.9	149.7	47.1	-161.6	0	0	0	0	112.5
524	A	25.8	Very low	27.6	Very low	87 Å²	87	154.9 Å²	154.9	72%	0.719	75%	0.747	S	S	*	*			trans	71.8	128.8	-159.7	0	0	0	0	0	114
525	D	26.6	Very low	27.8	Very low	140 Å²	140	155.2 Å²	155.2	75%	0.749	74%	0.744	S	S	*	*			cis	-154.6	174.6	-7.4	-137.6	-30	0	0	0	114.5
526	D	26.9	Very low	29	Very low	97 Å²	97	149.1 Å²	149.1	52%	0.519	74%	0.735	S	S	.	*			trans	-13.7	151.8	152.2	-78	-32	0	0	0	118
527	R	28.3	Very low	28.9	Very low	162 Å²	162	155.6 Å²	155.6	61%	0.611	74%	0.744	S	S	*	*			cis	-171.1	145.2	5.7	-115.3	161.9	-158.4	170.3	24.3	112.4
528	R	35.2	Very low	29.4	Very low	201 Å²	201	158.1 Å²	158.1	76%	0.758	75%	0.748	S	S	*	*			trans	62.9	169.8	139.6	-70.8	165.7	-162.8	-175.8	7.8	118.4
529	K	29.5	Very low	29.5	Very low	167 Å²	167	157.8 Å²	157.8	73%	0.726	75%	0.752	S	S	*	*			cis	177.7	130.9	-35.4	170.7	179.1	174.6	-176.7	0	107.9
530	R	27.4	Very low	30.1	Very low	216 Å²	216	157.8 Å²	157.8	82%	0.815	76%	0.755	S	S	*	*			trans	64.8	164.6	166.8	-71.7	-79.3	-171.5	-116.7	0.6	113
531	R	27.4	Very low	30.3	Very low	195 Å²	195	152.8 Å²	152.8	74%	0.736	75%	0.754	S	S	*	*			cis	-166.7	166.7	-14	166.9	174.7	-155.2	171.2	6.8	108
532	D	28.8	Very low	30.7	Very low	116 Å²	116	148.7 Å²	148.7	62%	0.62	75%	0.753	S	S	*	*			trans	-7.5	127.6	159	-34.6	-38.3	0	0	0	115.6
533	D	25.8	Very low	31	Very low	155 Å²	155	150.1 Å²	150.1	83%	0.829	75%	0.751	S	S	*	*				-170.7	170.4	106.6	-120.4	-54.4	0	0	0	115.8
534	S	32	Very low	31.2	Very low	108 Å²	108	152.5 Å²	152.5	76%	0.755	75%	0.75	S	S	*	*			trans	-54.6	167.6	-165.4	-57.5	0	0	0	0	121.8
535	E	33.2	Very low	31.3	Very low	182 Å²	182	154.7 Å²	154.7	85%	0.85	75%	0.749	S	S	*	*			trans	-62.9	-167.1	172.4	-56.7	-171	133.8	0	0	115.4
536	P	51.9	Low	31.4	Very low	105 Å²	105	157.6 Å²	157.6	68%	0.682	76%	0.759	S	S	*	*				-129.2	164.3	-59.6	32.9	-18.2	0	0	0	112.1
537	R	33.7	Very low	31.7	Very low	256 Å²	256	162 Å²	162	97%	0.966	78%	0.776	S	S	*	*			trans	-142.4	133.6	154.5	-74.5	-158	170.6	159.4	3.9	115.7
538	L	34.2	Very low	32.7	Very low	161 Å²	161	159.2 Å²	159.2	84%	0.843	78%	0.779	S	S	*	*			trans	-69.4	152	166.3	-53.4	159.5	0	0	0	110.6
539	F	28.3	Very low	32.9	Very low	195 Å²	195	155.6 Å²	155.6	86%	0.855	78%	0.782	S	S	*	*				-163.8	171.4	107.2	-133.6	-104.4	0	0	0	114.1
540	I	37.6	Very low	33.2	Very low	137 Å²	137	157.1 Å²	157.1	70%	0.703	79%	0.791	S	S	*	*			trans	-109.6	145.2	-172.1	-62	156.5	0	0	0	110.3
541	S	29.5	Very low	33.4	Very low	113 Å²	113	150.5 Å²	150.5	79%	0.79	79%	0.791	S	S	*	*			trans	-154	137.9	146.2	59.5	0	0	0	0	111.6
542	C	31.8	Very low	33.6	Very low	102 Å²	102	147.7 Å²	147.7	69%	0.689	79%	0.79	S	S	*	*			trans	-72.4	-172.2	168.4	-49.2	0	0	0	0	109.9
543	D	32.8	Very low	33.7	Very low	143 Å²	143	149.5 Å²	149.5	77%	0.765	80%	0.8	S	S	*	*			cis	-165.7	-168.9	23.2	-142.2	-49.5	0	0	0	112.1
544	E	28	Very low	34.1	Very low	165 Å²	165	150.6 Å²	150.6	77%	0.771	80%	0.797	S	S	*	*			trans	96.3	81.5	148.8	-130.8	174.4	128.9	0	0	120
545	N	28.3	Very low	34.3	Very low	132 Å²	132	151 Å²	151	71%	0.706	80%	0.8	S	S	*	*				47	119.9	127.2	-57	-48.2	0	0	0	121.2
546	Q	29.8	Very low	34.4	Very low	201 Å²	201	151.3 Å²	151.3	94%	0.939	80%	0.801	S	S	*	*				-162	151.2	108.1	-108.5	162.2	54.5	0	0	113.2
547	E	31.4	Very low	33.4	Very low	190 Å²	190	157.8 Å²	157.8	89%	0.888	81%	0.812	S	S	*	*			trans	-104.4	174	-176	-107.2	-161.5	160.9	0	0	112.4
548	P	50.3	Low	33.6	Very low	103 Å²	103	149.3 Å²	149.3	67%	0.669	80%	0.804	S	S	*	*			trans	-91.6	-175.3	-150.8	38.5	-40.5	0	0	0	115.2
549	P	39.8	Very low	33.7	Very low	126 Å²	126	150.2 Å²	150.2	82%	0.818	80%	0.804	S	S	*	*				-129.8	156.4	124.6	37.6	-31.4	0	0	0	114.1
550	E	35.6	Very low	34.3	Very low	198 Å²	198	145.8 Å²	145.8	93%	0.925	80%	0.804	S	S	*	*			trans	-74.1	152.4	174.7	-59.5	-177	123.7	0	0	112.7
551	G	31.7	Very low	34.1	Very low	78 Å²	78	144.5 Å²	144.5	80%	0.804	80%	0.803	S	S	*	*			trans	-150.1	92.8	173.7	0	0	0	0	0	111.9
552	N	32.1	Very low	34.5	Very low	135 Å²	135	146.9 Å²	146.9	72%	0.722	81%	0.806	S	S	*	*			trans	-73.3	125.7	174.1	160.9	103.3	0	0	0	110.5
553	D	29.9	Very low	34.6	Very low	154 Å²	154	147.2 Å²	147.2	82%	0.824	81%	0.809	S	S	*	*			trans	-150.3	157.1	147.6	-139.1	-23.4	0	0	0	113
554	K	35.2	Very low	35.2	Very low	179 Å²	179	148.7 Å²	148.7	78%	0.778	82%	0.816	S	S	*	*			trans	-119.5	127	-174.1	-66.4	178.3	-178.4	175.8	0	111.7
555	S	34.4	Very low	35.6	Very low	117 Å²	117	144 Å²	144	82%	0.818	81%	0.811	S	S	*	*			trans	-152.4	123.3	157.3	-143.8	0	0	0	0	113
556	E	35.3	Very low	36	Very low	187 Å²	187	145.4 Å²	145.4	87%	0.874	82%	0.816	S	S	*	*			trans	-78.1	124.9	166.7	-65.5	178.1	108.6	0	0	110.4
557	R	31.9	Very low	36.4	Very low	242 Å²	242	142.8 Å²	142.8	91%	0.913	81%	0.808	S	S	*	*			trans	-154.6	107.2	142.8	-145.1	164.6	-70.3	-173.2	-0.6	110.5
558	G	38	Very low	37.1	Very low	77 Å²	77	140.4 Å²	140.4	79%	0.794	80%	0.801	S	S	*	*			trans	-78.2	144.5	-170	0	0	0	0	0	114.5
559	Q	36.1	Very low	36.7	Very low	180 Å²	180	141 Å²	141	84%	0.841	80%	0.799	S	S	*	*			trans	-127.3	127.5	142.9	-80.3	-171.6	-32.6	0	0	108	T561	Q559-T561 PolarHBondContact O-N 3.46Å
560	A	40.1	Very low	37.2	Very low	103 Å²	103	141.5 Å²	141.5	85%	0.851	79%	0.794	S	S	*	*			trans	-80.1	67.4	178.8	0	0	0	0	0	110.8	L562	A560-L562 PolarHBondContact O-N 3.49Å
561	T	34.1	Very low	38.2	Very low	110 Å²	110	137.9 Å²	137.9	68%	0.675	78%	0.781	S	S	*	*			trans	-76.8	102.2	166.5	-55.8	0	0	0	0	107.8	Q559 S563	Q559-T561 PolarHBondContact O-N 3.46Å; T561-S563 PolarHBondContact O-N 3.04Å
562	L	37.3	Very low	39.1	Very low	163 Å²	163	145.8 Å²	145.8	85%	0.853	79%	0.786	S	S	*	*			trans	-63.8	103.1	171.7	-67	174.3	0	0	0	108.3	A560 L564	A560-L562 PolarHBondContact O-N 3.49Å; L562-L564 PolarHBondContact O-N 2.96Å
563	S	35.3	Very low	40.3	Very low	108 Å²	108	144.9 Å²	144.9	76%	0.755	78%	0.779	S	S	*	*			trans	-64.9	109.1	176.2	-69.9	0	0	0	0	108.8	T561 G565	T561-S563 PolarHBondContact O-N 3.04Å; S563-G565 PolarHBondContact O-N 3.27Å
564	L	43.9	Very low	42.5	Very low	174 Å²	174	141 Å²	141	91%	0.911	76%	0.761	S	S	*	*			trans	-75.1	27.7	172.2	-146.3	81.1	0	0	0	112.1	L562 M566	L562-L564 PolarHBondContact O-N 2.96Å; L564-M566 PolarHBondContact O-N 3.19Å; L564-M566 VanDerWaalsContact O-N 3.14Å
565	G	37.2	Very low	43.9	Very low	66 Å²	66	139.6 Å²	139.6	68%	0.68	76%	0.761	S	S	*	*			trans	-83.4	67.8	171.2	0	0	0	0	0	109.7	S563 D567	S563-G565 PolarHBondContact O-N 3.27Å; G565-D567 PolarHBondContact O-N 3Å
566	M	36.4	Very low	45.3	Very low	162 Å²	162	139.6 Å²	139.6	80%	0.798	75%	0.752	S	S	*	*			trans	-70.1	106.1	153.7	-77.3	173.3	58.9	0	0	106	L564 L568	L564-M566 PolarHBondContact O-N 3.19Å; L564-M566 VanDerWaalsContact O-N 3.14Å; M566-L568 PolarHBondContact O-N 3.48Å
567	D	38.8	Very low	46.5	Very low	146 Å²	146	134.1 Å²	134.1	78%	0.781	73%	0.729	S	S	*	*			trans	-56.2	111.6	169.3	-105	-40.5	0	0	0	107.9	G565 N569	G565-D567 PolarHBondContact O-N 3Å; D567-N569 PolarHBondContact O-N 2.86Å
568	L	46.3	Very low	47.8	Very low	140 Å²	140	127.9 Å²	127.9	73%	0.733	71%	0.708	S	S	*	*			trans	-78.5	75.3	169.6	-75.5	171.6	0	0	0	107.3	M566 L570	M566-L568 PolarHBondContact O-N 3.48Å; L568-L570 HydrophobicContact CB-CD1 4Å; L568-L570 PolarHBondContact O-N 2.96Å
569	N	42.3	Very low	49	Very low	116 Å²	116	129 Å²	129	62%	0.62	69%	0.693	S	S	*	*			trans	-58.8	77.8	153.5	-91.8	81.9	0	0	0	108.2	D567 D571	D567-N569 PolarHBondContact O-N 2.86Å; N569-D571 PolarHBondContact ND2-OD1 2.84Å; N569-D571 PolarHBondContact O-N 3.46Å
570	L	50.2	Low	50.4	Low	136 Å²	136	123.3 Å²	123.3	71%	0.712	67%	0.666	S	S	*	*			trans	-69	68.8	152.8	-71.7	124.2	0	0	0	106.6	L568 W572	L568-L570 HydrophobicContact CB-CD1 4Å; L568-L570 PolarHBondContact O-N 2.96Å; L570-W572 VanDerWaalsContact O-CD1 3.28Å; L570-W572 PolarHBondContact O-N 2.8Å
571	D	55.2	Low	51.5	Low	122 Å²	122	122.6 Å²	122.6	65%	0.652	64%	0.644	S	S	*	*			trans	-63.2	114.1	164	-65.7	-14.8	0	0	0	105.4	N569 M573	N569-D571 PolarHBondContact ND2-OD1 2.84Å; N569-D571 PolarHBondContact O-N 3.46Å; D571-M573 PolarHBondContact O-N 3.05Å
572	W	52	Low	52.7	Low	245 Å²	245	122.5 Å²	122.5	93%	0.928	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-59.2	126.3	-171.6	-70.1	17.5	0	0	0	108.9	L570 T574	L570-W572 VanDerWaalsContact O-CD1 3.28Å; L570-W572 PolarHBondContact O-N 2.8Å; W572-T574 PolarHBondContact O-N 3.48Å; W572-T574 VanDerWaalsContact O-N 3.08Å
573	M	57.2	Low	53.8	Low	116 Å²	116	119.5 Å²	119.5	57%	0.571	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-53.4	122.5	175.3	-73.5	-177.6	70.9	0	0	108.5	D571 N577 H581	D571-M573 PolarHBondContact O-N 3.05Å; M573-N577 HydrophobicContact CE-CB 4.17Å; M573-H581 HydrophobicContact CE-CB 4.47Å
574	T	74.6	Confident	54.8	Low	71 Å²	71	115.8 Å²	115.8	44%	0.436	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-56.2	151.5	175.6	56.1	0	0	0	0	109.7	W572 D576 N577 F578	W572-T574 PolarHBondContact O-N 3.48Å; W572-T574 VanDerWaalsContact O-N 3.08Å; T574-D576 PolarHBondContact O-N 3.21Å; T574-D576 VanDerWaalsContact O-N 3.16Å; T574-N577 WeakPolarHBondContact O-CA 3.48Å; T574-N577 PolarHBondContact O-N 3.29Å; T574-N577 WeakPolarHBondContact OG1-CB 3.48Å; T574-N577 VanDerWaalsContact OG1-CG 3.22Å; T574-N577 PolarHBondContact OG1-N 3.05Å; T574-F578 PolarHBondContact O-N 3.35Å
575	L	64.7	Low	55.6	Low	151 Å²	151	113.5 Å²	113.5	79%	0.791	59%	0.588	S	S	*	*	H	α-helix	trans	-56.8	-34.9	179.4	-143.5	77.3	0	0	0	111	F578 Q579	L575-F578 PolarHBondContact O-N 3.05Å; L575-Q579 WeakPolarHBondContact O-CB 3.28Å; L575-Q579 PolarHBondContact O-N 2.85Å
576	D	64.6	Low	56.6	Low	116 Å²	116	112.3 Å²	112.3	62%	0.62	57%	0.566	S	S	*	*	H	α-helix	trans	-64.1	-40.5	172.5	-50.1	-82.5	0	0	0	113.1	T574 Q579 K580	T574-D576 PolarHBondContact O-N 3.21Å; T574-D576 VanDerWaalsContact O-N 3.16Å; D576-Q579 PolarHBondContact O-N 3.43Å; D576-K580 VanDerWaalsContact O-CB 3.3Å; D576-K580 WeakPolarHBondContact O-CB 3.39Å; D576-K580 VanDerWaalsContact O-CG 3.28Å; D576-K580 WeakPolarHBondContact O-CG 3.32Å; D576-K580 PolarHBondContact O-N 2.9Å
577	N	60.3	Low	57.7	Low	72 Å²	72	112.5 Å²	112.5	39%	0.385	57%	0.565	S	S	.	*	H	α-helix	trans	-70.3	-35.4	175.8	-77.7	-0.4	0	0	0	111.8	M573 T574 H581	M573-N577 HydrophobicContact CE-CB 4.17Å; T574-N577 WeakPolarHBondContact O-CA 3.48Å; T574-N577 PolarHBondContact O-N 3.29Å; T574-N577 WeakPolarHBondContact OG1-CB 3.48Å; T574-N577 VanDerWaalsContact OG1-CG 3.22Å; T574-N577 PolarHBondContact OG1-N 3.05Å; N577-H581 WeakPolarHBondContact O-CB 3.49Å; N577-H581 PolarHBondContact O-N 2.94Å
578	F	59.8	Low	58.5	Low	111 Å²	111	108.2 Å²	108.2	49%	0.487	54%	0.541	S	S	.	.	H	α-helix	trans	-68.1	-40.9	172.6	-170.8	-104.3	0	0	0	111.6	T574 L575 H581 L582	T574-F578 PolarHBondContact O-N 3.35Å; L575-F578 PolarHBondContact O-N 3.05Å; F578-H581 WeakPolarHBondContact O-CB 3.25Å; F578-H581 PolarHBondContact O-N 2.68Å; F578-L582 HydrophobicContact CD1-CD1 3.99Å; F578-L582 HydrophobicContact CE1-CD1 3.71Å; F578-L582 HydrophobicContact CE1-CG 4.33Å; F578-L582 HydrophobicContact CZ-CD1 4.43Å; F578-L582 WeakPolarHBondContact O-CG 3.36Å; F578-L582 PolarHBondContact O-N 2.91Å
579	Q	62.5	Low	58.7	Low	101 Å²	101	109.4 Å²	109.4	47%	0.472	55%	0.548	S	S	.	.	H	α-helix	trans	-67.1	-40.2	174.7	-169.7	60.9	63.1	0	0	111.9	L575 D576 H581 L582 N583	L575-Q579 WeakPolarHBondContact O-CB 3.28Å; L575-Q579 PolarHBondContact O-N 2.85Å; D576-Q579 PolarHBondContact O-N 3.43Å; Q579-H581 VanDerWaalsContact C-N 3.33Å; Q579-H581 PolarHBondContact O-N 2.7Å; Q579-L582 PolarHBondContact O-N 2.76Å; Q579-N583 PolarHBondContact NE2-OD1 3.18Å; Q579-N583 WeakPolarHBondContact O-CB 3.39Å; Q579-N583 PolarHBondContact O-N 3.38Å; Q579-N583 PolarHBondContact O-OD1 3.12Å
580	K	64.9	Low	59.3	Low	61 Å²	61	109.5 Å²	109.5	27%	0.265	56%	0.557	S	S	.	*	H	α-helix	trans	-57.1	-44.6	169.2	-81.7	178.1	175.1	-176.3	0	111.3	D576 L582 N583 G584 E585 E587	D576-K580 VanDerWaalsContact O-CB 3.3Å; D576-K580 WeakPolarHBondContact O-CB 3.39Å; D576-K580 VanDerWaalsContact O-CG 3.28Å; D576-K580 WeakPolarHBondContact O-CG 3.32Å; D576-K580 PolarHBondContact O-N 2.9Å; K580-L582 PolarHBondContact O-N 2.74Å; K580-N583 CarbonylContact O-C 3.44Å; K580-N583 PolarHBondContact O-N 3.07Å; K580-N583 VanDerWaalsContact O-N 3.16Å; K580-G584 CarbonylContact O-C 3.25Å; K580-G584 PolarHBondContact O-N 3.23Å; K580-E585 HydrophobicContact CB-CB 4.17Å; K580-E585 HydrophobicContact CG-CB 4.11Å; K580-E585 PolarHBondContact O-N 3.1Å; K580-E587 IonicContact NZ-OE1 2.79Å; K580-E587 PolarHBondContact NZ-OE1 2.8Å
581	H	64.8	Low	59.8	Low	87 Å²	87	105 Å²	105	40%	0.403	54%	0.543	S	S	.	.	H	α-helix	trans	-59.5	-44.3	177.7	-164.6	78.4	0	0	0	112.2	M573 N577 F578 Q579 G584 D586	M573-H581 HydrophobicContact CE-CB 4.47Å; N577-H581 WeakPolarHBondContact O-CB 3.49Å; N577-H581 PolarHBondContact O-N 2.94Å; F578-H581 WeakPolarHBondContact O-CB 3.25Å; F578-H581 PolarHBondContact O-N 2.68Å; Q579-H581 VanDerWaalsContact C-N 3.33Å; Q579-H581 PolarHBondContact O-N 2.7Å; H581-G584 PolarHBondContact O-N 3.11Å; H581-D586 IonicContact CE1-OD1 3.31Å; H581-D586 IonicContact CE1-OD2 3.84Å; H581-D586 IonicContact CG-OD1 3.68Å; H581-D586 VanDerWaalsContact ND1-CG 3.33Å; H581-D586 IonicContact ND1-OD1 3.92Å; H581-D586 PolarHBondContact ND1-OD1 2.91Å; H581-D586 IonicContact ND1-OD2 2.76Å; H581-D586 PolarHBondContact ND1-OD2 3.05Å; H581-D586 VanDerWaalsContact ND1-OD2 3.13Å
582	L	58.1	Low	60.2	Low	108 Å²	108	104.7 Å²	104.7	57%	0.565	55%	0.548	S	S	*	.	H	α-helix	trans	-65.7	-37.7	174.4	-67.8	173.8	0	0	0	112.6	F578 Q579 K580 G584	F578-L582 HydrophobicContact CD1-CD1 3.99Å; F578-L582 HydrophobicContact CE1-CD1 3.71Å; F578-L582 HydrophobicContact CE1-CG 4.33Å; F578-L582 HydrophobicContact CZ-CD1 4.43Å; F578-L582 WeakPolarHBondContact O-CG 3.36Å; F578-L582 PolarHBondContact O-N 2.91Å; Q579-L582 PolarHBondContact O-N 2.76Å; K580-L582 PolarHBondContact O-N 2.74Å; L582-G584 VanDerWaalsContact C-N 3.29Å; L582-G584 PolarHBondContact O-N 2.69Å
583	N	61.4	Low	60.9	Low	100 Å²	100	96.7 Å²	96.7	54%	0.535	53%	0.528	S	S	.	.	H	α-helix	trans	-74.1	-17.6	176.2	-64.9	-1.6	0	0	0	113	Q579 K580 E585	Q579-N583 PolarHBondContact NE2-OD1 3.18Å; Q579-N583 WeakPolarHBondContact O-CB 3.39Å; Q579-N583 PolarHBondContact O-N 3.38Å; Q579-N583 PolarHBondContact O-OD1 3.12Å; K580-N583 CarbonylContact O-C 3.44Å; K580-N583 PolarHBondContact O-N 3.07Å; K580-N583 VanDerWaalsContact O-N 3.16Å; N583-E585 HydrophobicContact CB-CG 4.28Å
584	G	56.2	Low	61.9	Low	31 Å²	31	93.3 Å²	93.3	32%	0.32	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	9	-174.2	0	0	0	0	0	115.3	K580 H581 L582 D586 N616	K580-G584 CarbonylContact O-C 3.25Å; K580-G584 PolarHBondContact O-N 3.23Å; H581-G584 PolarHBondContact O-N 3.11Å; L582-G584 VanDerWaalsContact C-N 3.29Å; L582-G584 PolarHBondContact O-N 2.69Å; G584-D586 VanDerWaalsContact C-N 3.33Å; G584-D586 PolarHBondContact O-N 3.11Å; G584-N616 PolarHBondContact O-ND2 3.44Å
585	E	59.5	Low	62.3	Low	125 Å²	125	91.3 Å²	91.3	58%	0.584	50%	0.501	S	S	*	.			trans	-92.7	36.4	-178.4	-61	-171.2	144.3	0	0	113.1	K580 N583 E587	K580-E585 HydrophobicContact CB-CB 4.17Å; K580-E585 HydrophobicContact CG-CB 4.11Å; K580-E585 PolarHBondContact O-N 3.1Å; N583-E585 HydrophobicContact CB-CG 4.28Å; E585-E587 PolarHBondContact O-N 3.36Å
586	D	58.2	Low	63.2	Low	42 Å²	42	87.4 Å²	87.4	23%	0.225	48%	0.484	C	S	.	.			trans	-58.4	128.8	170	-67	-58.2	0	0	0	110.1	H581 G584 I588 K612	H581-D586 IonicContact CE1-OD1 3.31Å; H581-D586 IonicContact CE1-OD2 3.84Å; H581-D586 IonicContact CG-OD1 3.68Å; H581-D586 VanDerWaalsContact ND1-CG 3.33Å; H581-D586 IonicContact ND1-OD1 3.92Å; H581-D586 PolarHBondContact ND1-OD1 2.91Å; H581-D586 IonicContact ND1-OD2 2.76Å; H581-D586 PolarHBondContact ND1-OD2 3.05Å; H581-D586 VanDerWaalsContact ND1-OD2 3.13Å; G584-D586 VanDerWaalsContact C-N 3.33Å; G584-D586 PolarHBondContact O-N 3.11Å; D586-I588 HydrophobicContact CB-CG1 4.18Å; D586-I588 WeakPolarHBondContact O-CG1 3.36Å; D586-I588 PolarHBondContact O-N 3.48Å; D586-K612 VanDerWaalsContact OD2-CE 3.26Å; D586-K612 WeakPolarHBondContact OD2-CE 3.39Å; D586-K612 IonicContact OD2-NZ 3.54Å; D586-K612 PolarHBondContact OD2-NZ 3.48Å
587	E	60.1	Low	64.3	Low	166 Å²	166	84.4 Å²	84.4	78%	0.776	47%	0.473	S	S	*	.			trans	-74.8	91.3	168.7	-79.7	174	-134.3	0	0	109.2	K580 E585 L589	K580-E587 IonicContact NZ-OE1 2.79Å; K580-E587 PolarHBondContact NZ-OE1 2.8Å; E585-E587 PolarHBondContact O-N 3.36Å; E587-L589 PolarHBondContact O-N 3.47Å
588	I	55.4	Low	65.5	Low	55 Å²	55	85.5 Å²	85.5	28%	0.282	48%	0.475	S	S	.	.			trans	-73.6	124.7	-172.1	-55.9	-168.9	0	0	0	111.5	D586 S590 L613 N616	D586-I588 HydrophobicContact CB-CG1 4.18Å; D586-I588 WeakPolarHBondContact O-CG1 3.36Å; D586-I588 PolarHBondContact O-N 3.48Å; I588-S590 PolarHBondContact O-N 2.9Å; I588-L613 HydrophobicContact CD1-CD2 4.48Å; I588-L613 HydrophobicContact CG2-CD2 3.3Å; I588-N616 HydrophobicContact CD1-CB 3.44Å; I588-N616 VanDerWaalsContact CD1-CB 3.44Å
589	L	51.7	Low	66.9	Low	166 Å²	166	80.2 Å²	80.2	87%	0.869	45%	0.452	S	S	*	.			trans	-54.7	106.9	158.9	-74.8	167.4	0	0	0	109	E587 G591	E587-L589 PolarHBondContact O-N 3.47Å; L589-G591 PolarHBondContact O-N 3.11Å
590	S	55.2	Low	68.2	Low	118 Å²	118	77.8 Å²	77.8	83%	0.825	44%	0.439	S	S	*	.			trans	-65.7	95.1	-174.3	61.5	0	0	0	0	111.4	I588	I588-S590 PolarHBondContact O-N 2.9Å
591	G	59.9	Low	69.4	Low	41 Å²	41	78.9 Å²	78.9	42%	0.423	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-61.7	167.4	164.6	0	0	0	0	0	111.3	L589	L589-G591 PolarHBondContact O-N 3.11Å
592	P	64	Low	70.7	Confident	116 Å²	116	75.2 Å²	75.2	75%	0.753	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-54.9	138.1	174.3	-22.8	33.7	0	0	0	110.7	L594	P592-L594 PolarHBondContact O-N 3.27Å; P592-L594 VanDerWaalsContact O-N 3.17Å
593	P	65.9	Low	72.3	Confident	76 Å²	76	70 Å²	70	49%	0.494	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-61.8	120.8	174.7	25.3	-32.7	0	0	0	109.4	E619	P593-E619 VanDerWaalsContact CB-CD 3.47Å; P593-E619 WeakPolarHBondContact CB-OE1 3.34Å; P593-E619 WeakPolarHBondContact CB-OE2 3.45Å
594	L	78.1	Confident	73.7	Confident	45 Å²	45	70.6 Å²	70.6	24%	0.236	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-65.7	142.5	176.7	-64.4	-176.2	0	0	0	109.7	P592 E598 A610 A614 Y621	P592-L594 PolarHBondContact O-N 3.27Å; P592-L594 VanDerWaalsContact O-N 3.17Å; L594-E598 WeakPolarHBondContact CA-OE2 3.38Å; L594-E598 HydrophobicContact CB-CB 4.01Å; L594-E598 HydrophobicContact CD2-CB 4.27Å; L594-A610 HydrophobicContact CD1-CB 3.93Å; L594-A614 HydrophobicContact CB-CB 4.47Å; L594-A614 HydrophobicContact CD1-CB 4.08Å; L594-A614 HydrophobicContact CG-CB 4.44Å; L594-Y621 PolarHBondContact N-OH 2.91Å; L594-Y621 VanDerWaalsContact N-OH 3.13Å; L594-Y621 VanDerWaalsContact O-CE1 3.24Å; L594-Y621 WeakPolarHBondContact O-CE1 3.19Å; L594-Y621 PolarHBondContact O-OH 2.65Å
595	S	83.5	Confident	75.3	Confident	29 Å²	29	73.1 Å²	73.1	20%	0.203	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-67.3	157.6	171.8	81.8	0	0	0	0	111.5	S597 E598 L599	S595-S597 PolarHBondContact O-N 3.05Å; S595-S597 VanDerWaalsContact O-N 3.08Å; S595-S597 PolarHBondContact OG-N 2.94Å; S595-S597 PolarHBondContact OG-OG 3.46Å; S595-E598 WeakPolarHBondContact CB-OE1 3.49Å; S595-E598 PolarHBondContact N-OE2 3.18Å; S595-E598 PolarHBondContact O-N 3.37Å; S595-E598 PolarHBondContact OG-N 3.1Å; S595-E598 PolarHBondContact OG-OE1 3.43Å; S595-L599 PolarHBondContact O-N 3Å
596	P	83.4	Confident	76.9	Confident	69 Å²	69	68.2 Å²	68.2	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-48.3	-35.4	169.9	-31.9	38.2	0	0	0	113.5	R600 Q625	P596-R600 PolarHBondContact O-N 2.92Å; P596-R600 PolarHBondContact O-NH1 3.48Å; P596-Q625 PolarHBondContact O-OE1 3.08Å
597	S	86.6	Confident	78.5	Confident	54 Å²	54	69.8 Å²	69.8	38%	0.378	41%	0.407	S	S	.	.	H	α-helix	trans	-66.2	-52.5	173	5.7	0	0	0	0	112.8	S595 L599 R600 D601	S595-S597 PolarHBondContact O-N 3.05Å; S595-S597 VanDerWaalsContact O-N 3.08Å; S595-S597 PolarHBondContact OG-N 2.94Å; S595-S597 PolarHBondContact OG-OG 3.46Å; S597-L599 VanDerWaalsContact C-N 3.27Å; S597-L599 PolarHBondContact O-N 3.2Å; S597-R600 PolarHBondContact O-N 2.84Å; S597-R600 VanDerWaalsContact O-N 3.07Å; S597-D601 PolarHBondContact O-N 3.34Å
598	E	87.4	Confident	79.9	Confident	94 Å²	94	65.7 Å²	65.7	44%	0.439	39%	0.385	S	S	.	.	H	α-helix	trans	-60.2	-36.3	179.3	-73.9	130.5	-120.5	0	0	112	L594 S595 D601 A602	L594-E598 WeakPolarHBondContact CA-OE2 3.38Å; L594-E598 HydrophobicContact CB-CB 4.01Å; L594-E598 HydrophobicContact CD2-CB 4.27Å; S595-E598 WeakPolarHBondContact CB-OE1 3.49Å; S595-E598 PolarHBondContact N-OE2 3.18Å; S595-E598 PolarHBondContact O-N 3.37Å; S595-E598 PolarHBondContact OG-N 3.1Å; S595-E598 PolarHBondContact OG-OE1 3.43Å; E598-D601 PolarHBondContact O-N 3.04Å; E598-A602 WeakPolarHBondContact O-CB 3.17Å; E598-A602 PolarHBondContact O-N 2.97Å
599	L	88.8	Confident	81.4	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-63	-41.3	174.2	-177.8	62.3	0	0	0	112.1	S595 S597 V603 V611 A614 L615 Y621 L633	S595-L599 PolarHBondContact O-N 3Å; S597-L599 VanDerWaalsContact C-N 3.27Å; S597-L599 PolarHBondContact O-N 3.2Å; L599-V603 WeakPolarHBondContact O-CB 3.47Å; L599-V603 WeakPolarHBondContact O-CG2 3.36Å; L599-V603 PolarHBondContact O-N 3.14Å; L599-V611 HydrophobicContact CD1-CG1 4.35Å; L599-V611 HydrophobicContact CD1-CG2 4.26Å; L599-A614 HydrophobicContact CD1-CB 4.04Å; L599-L615 HydrophobicContact CD1-CG 4.47Å; L599-L615 HydrophobicContact CD2-CD2 4.15Å; L599-Y621 HydrophobicContact CD2-CD1 3.71Å; L599-Y621 HydrophobicContact CD2-CE1 4.36Å; L599-Y621 HydrophobicContact CD2-CG 4.01Å; L599-L633 HydrophobicContact CD2-CD1 4.18Å; L599-L633 HydrophobicContact CG-CD2 4.44Å
600	R	89.3	Confident	83.1	Confident	51 Å²	51	61.4 Å²	61.4	19%	0.192	36%	0.363	C	S	.	.	H	α-helix	trans	-65.8	-42.9	174.8	-70.3	-169.6	-52.1	-81	2.6	111.7	P596 S597 K604 L633 L636	P596-R600 PolarHBondContact O-N 2.92Å; P596-R600 PolarHBondContact O-NH1 3.48Å; S597-R600 PolarHBondContact O-N 2.84Å; S597-R600 VanDerWaalsContact O-N 3.07Å; R600-K604 WeakPolarHBondContact O-CB 3.42Å; R600-K604 PolarHBondContact O-N 2.89Å; R600-L633 HydrophobicContact CB-CD2 4.3Å; R600-L633 HydrophobicContact CG-CD2 3.7Å; R600-L636 HydrophobicContact CB-CD1 4.09Å; R600-L636 HydrophobicContact CG-CD1 4.34Å
601	D	90.1	Very high	84.7	Confident	84 Å²	84	55.8 Å²	55.8	45%	0.449	32%	0.324	S	S	.	.	H	α-helix	trans	-71.8	-31.6	179.9	-75.6	-45.4	0	0	0	112.5	S597 E598 K604 S605	S597-D601 PolarHBondContact O-N 3.34Å; E598-D601 PolarHBondContact O-N 3.04Å; D601-K604 PolarHBondContact O-N 3.31Å; D601-K604 IonicContact OD1-NZ 3.51Å; D601-K604 PolarHBondContact OD1-NZ 3.05Å; D601-K604 VanDerWaalsContact OD1-NZ 3.16Å; D601-S605 VanDerWaalsContact O-CB 3.3Å; D601-S605 WeakPolarHBondContact O-CB 3.12Å; D601-S605 PolarHBondContact O-N 2.77Å; D601-S605 PolarHBondContact O-OG 3.37Å; D601-S605 VanDerWaalsContact O-OG 3.13Å
602	A	91.6	Very high	86	Confident	9 Å²	9	54.9 Å²	54.9	7%	0.074	31%	0.308	C	S	.	.	H	α-helix	trans	-66.9	-45.3	171.2	0	0	0	0	0	112.7	E598 K604 S605 G606 D607 A610 V611	E598-A602 WeakPolarHBondContact O-CB 3.17Å; E598-A602 PolarHBondContact O-N 2.97Å; A602-K604 PolarHBondContact O-N 2.98Å; A602-S605 WeakPolarHBondContact CA-OG 3.22Å; A602-S605 PolarHBondContact O-N 3.04Å; A602-S605 PolarHBondContact O-OG 3.22Å; A602-S605 VanDerWaalsContact O-OG 3.08Å; A602-G606 PolarHBondContact O-N 3.33Å; A602-D607 HydrophobicContact CB-CB 4.31Å; A602-D607 PolarHBondContact O-N 2.7Å; A602-A610 HydrophobicContact CB-CB 3.97Å; A602-V611 HydrophobicContact CB-CG2 3.86Å
603	V	92.1	Very high	87.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-35.9	173.5	167.2	0	0	0	0	111.7	L599 V611 L633 L636 A637 I645 L649	L599-V603 WeakPolarHBondContact O-CB 3.47Å; L599-V603 WeakPolarHBondContact O-CG2 3.36Å; L599-V603 PolarHBondContact O-N 3.14Å; V603-V611 HydrophobicContact CB-CG2 4.43Å; V603-V611 HydrophobicContact CG2-CG1 4.1Å; V603-V611 HydrophobicContact CG2-CG2 3.52Å; V603-L633 HydrophobicContact CB-CD2 4.25Å; V603-L633 HydrophobicContact CG1-CD2 4.5Å; V603-L633 WeakPolarHBondContact CG1-O 3.48Å; V603-L633 HydrophobicContact CG2-CD2 4.05Å; V603-L636 HydrophobicContact CG1-CB 3.87Å; V603-A637 HydrophobicContact CG1-CB 3.93Å; V603-I645 HydrophobicContact CB-CG2 4.37Å; V603-I645 HydrophobicContact CG1-CG2 4.05Å; V603-I645 HydrophobicContact CG2-CG2 3.94Å; V603-L649 HydrophobicContact CG1-CD1 4.18Å; V603-L649 HydrophobicContact CG2-CD1 4.32Å
604	K	90.7	Very high	88	Confident	111 Å²	111	49.4 Å²	49.4	48%	0.483	27%	0.269	S	S	.	.	H	α-helix	trans	-79.4	-28.6	-179.6	176.3	-179.2	162	-159.6	0	113.6	R600 D601 A602 L636	R600-K604 WeakPolarHBondContact O-CB 3.42Å; R600-K604 PolarHBondContact O-N 2.89Å; D601-K604 PolarHBondContact O-N 3.31Å; D601-K604 IonicContact OD1-NZ 3.51Å; D601-K604 PolarHBondContact OD1-NZ 3.05Å; D601-K604 VanDerWaalsContact OD1-NZ 3.16Å; A602-K604 PolarHBondContact O-N 2.98Å; K604-L636 HydrophobicContact CB-CD2 4.43Å; K604-L636 HydrophobicContact CD-CD2 4.29Å; K604-L636 HydrophobicContact CG-CD2 4.42Å
605	S	90.8	Very high	88.3	Confident	84 Å²	84	48 Å²	48	59%	0.587	26%	0.262	S	S	*	.	H	α-helix	trans	-83.9	-25.4	175	66.8	0	0	0	0	113.1	D601 A602	D601-S605 VanDerWaalsContact O-CB 3.3Å; D601-S605 WeakPolarHBondContact O-CB 3.12Å; D601-S605 PolarHBondContact O-N 2.77Å; D601-S605 PolarHBondContact O-OG 3.37Å; D601-S605 VanDerWaalsContact O-OG 3.13Å; A602-S605 WeakPolarHBondContact CA-OG 3.22Å; A602-S605 PolarHBondContact O-N 3.04Å; A602-S605 PolarHBondContact O-OG 3.22Å; A602-S605 VanDerWaalsContact O-OG 3.08Å
606	G	91.6	Very high	88.3	Confident	23 Å²	23	49.1 Å²	49.1	24%	0.237	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	96	16.7	-175	0	0	0	0	0	114.4	A602 Y608 Q642	A602-G606 PolarHBondContact O-N 3.33Å; G606-Y608 VanDerWaalsContact C-N 3.31Å; G606-Y608 PolarHBondContact O-N 2.97Å; G606-Q642 VanDerWaalsContact CA-CD 3.44Å
607	D	91.9	Very high	88.2	Confident	74 Å²	74	48.1 Å²	48.1	40%	0.396	26%	0.26	S	S	.	.			trans	-75.5	83.9	177.2	-168.9	-18.9	0	0	0	111.3	A602 M609 A610 V611	A602-D607 HydrophobicContact CB-CB 4.31Å; A602-D607 PolarHBondContact O-N 2.7Å; D607-M609 PolarHBondContact O-N 3.2Å; D607-M609 PolarHBondContact OD1-N 3.08Å; D607-M609 VanDerWaalsContact OD1-N 3.11Å; D607-A610 HydrophobicContact CB-CB 3.95Å; D607-A610 PolarHBondContact O-N 3.48Å; D607-A610 PolarHBondContact OD1-N 3.04Å; D607-A610 WeakPolarHBondContact OD2-CB 3.37Å; D607-V611 VanDerWaalsContact O-CG2 3.31Å; D607-V611 WeakPolarHBondContact O-CG2 3.34Å; D607-V611 PolarHBondContact O-N 2.89Å; D607-V611 VanDerWaalsContact O-N 3.09Å
608	Y	89.3	Confident	87.4	Confident	80 Å²	80	56 Å²	56	31%	0.314	29%	0.287	S	S	.	.	H	α-helix	trans	-56.5	-35.1	177.1	175.2	-95.2	0	0	0	112.7	G606 K612 D644 I645 L648	G606-Y608 VanDerWaalsContact C-N 3.31Å; G606-Y608 PolarHBondContact O-N 2.97Å; Y608-K612 HydrophobicContact CE1-CB 4.34Å; Y608-K612 HydrophobicContact CE1-CD 3.88Å; Y608-K612 VanDerWaalsContact O-CB 3.26Å; Y608-K612 WeakPolarHBondContact O-CB 3.17Å; Y608-K612 PolarHBondContact O-N 2.96Å; Y608-D644 HydrophobicContact CD2-CB 3.89Å; Y608-D644 HydrophobicContact CE2-CB 3.86Å; Y608-I645 HydrophobicContact CD2-CG1 4.03Å; Y608-L648 HydrophobicContact CE2-CD1 3.92Å
609	M	87.1	Confident	86.9	Confident	115 Å²	115	56.3 Å²	56.3	57%	0.567	29%	0.289	S	S	*	.	H	α-helix	trans	-72.5	-48.7	-177.7	-67.9	-61.5	-74.1	0	0	110.4	D607 V611 K612 L613	D607-M609 PolarHBondContact O-N 3.2Å; D607-M609 PolarHBondContact OD1-N 3.08Å; D607-M609 VanDerWaalsContact OD1-N 3.11Å; M609-V611 VanDerWaalsContact C-N 3.27Å; M609-V611 PolarHBondContact O-N 2.6Å; M609-K612 PolarHBondContact O-N 2.99Å; M609-L613 WeakPolarHBondContact O-CB 3.41Å; M609-L613 WeakPolarHBondContact O-CG 3.16Å; M609-L613 PolarHBondContact O-N 3.21Å
610	A	88.3	Confident	86.2	Confident	16 Å²	16	64.6 Å²	64.6	13%	0.132	33%	0.333	C	S	.	.	H	α-helix	trans	-55	-42.5	173.5	0	0	0	0	0	112.2	L594 A602 D607 A614	L594-A610 HydrophobicContact CD1-CB 3.93Å; A602-A610 HydrophobicContact CB-CB 3.97Å; D607-A610 HydrophobicContact CB-CB 3.95Å; D607-A610 PolarHBondContact O-N 3.48Å; D607-A610 PolarHBondContact OD1-N 3.04Å; D607-A610 WeakPolarHBondContact OD2-CB 3.37Å; A610-A614 WeakPolarHBondContact O-CB 3.39Å; A610-A614 PolarHBondContact O-N 2.98Å
611	V	88.9	Confident	85.8	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-69.3	-41.5	178.1	177.7	0	0	0	0	112.3	L599 A602 V603 D607 M609 L615 I645	L599-V611 HydrophobicContact CD1-CG1 4.35Å; L599-V611 HydrophobicContact CD1-CG2 4.26Å; A602-V611 HydrophobicContact CB-CG2 3.86Å; V603-V611 HydrophobicContact CB-CG2 4.43Å; V603-V611 HydrophobicContact CG2-CG1 4.1Å; V603-V611 HydrophobicContact CG2-CG2 3.52Å; D607-V611 VanDerWaalsContact O-CG2 3.31Å; D607-V611 WeakPolarHBondContact O-CG2 3.34Å; D607-V611 PolarHBondContact O-N 2.89Å; D607-V611 VanDerWaalsContact O-N 3.09Å; M609-V611 VanDerWaalsContact C-N 3.27Å; M609-V611 PolarHBondContact O-N 2.6Å; V611-L615 HydrophobicContact CG1-CD1 3.74Å; V611-L615 HydrophobicContact CG1-CG 4.32Å; V611-L615 WeakPolarHBondContact O-CB 3.46Å; V611-L615 WeakPolarHBondContact O-CG 3.17Å; V611-L615 PolarHBondContact O-N 3.13Å; V611-I645 HydrophobicContact CG1-CG2 4.27Å; V611-I645 HydrophobicContact CG2-CD1 4.3Å
612	K	87.5	Confident	85.4	Confident	22 Å²	22	64.2 Å²	64.2	10%	0.096	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-43.6	175.3	179.9	174	175.6	-179.2	0	111.4	D586 Y608 M609 N616 L648	D586-K612 VanDerWaalsContact OD2-CE 3.26Å; D586-K612 WeakPolarHBondContact OD2-CE 3.39Å; D586-K612 IonicContact OD2-NZ 3.54Å; D586-K612 PolarHBondContact OD2-NZ 3.48Å; Y608-K612 HydrophobicContact CE1-CB 4.34Å; Y608-K612 HydrophobicContact CE1-CD 3.88Å; Y608-K612 VanDerWaalsContact O-CB 3.26Å; Y608-K612 WeakPolarHBondContact O-CB 3.17Å; Y608-K612 PolarHBondContact O-N 2.96Å; M609-K612 PolarHBondContact O-N 2.99Å; K612-N616 WeakPolarHBondContact O-CB 3.39Å; K612-N616 PolarHBondContact O-N 3.48Å; K612-N616 VanDerWaalsContact O-N 3.08Å; K612-L648 HydrophobicContact CB-CD1 3.83Å; K612-L648 HydrophobicContact CG-CD1 3.99Å
613	L	86.3	Confident	85.1	Confident	72 Å²	72	65.4 Å²	65.4	38%	0.377	34%	0.338	S	S	.	.	H	α-helix	trans	-60.1	-48.9	177.1	-70.3	172.3	0	0	0	111.3	I588 M609 S617	I588-L613 HydrophobicContact CD1-CD2 4.48Å; I588-L613 HydrophobicContact CG2-CD2 3.3Å; M609-L613 WeakPolarHBondContact O-CB 3.41Å; M609-L613 WeakPolarHBondContact O-CG 3.16Å; M609-L613 PolarHBondContact O-N 3.21Å; L613-S617 PolarHBondContact O-N 3.01Å
614	A	85.4	Confident	84.7	Confident	5 Å²	5	68 Å²	68	4%	0.041	35%	0.35	C	S	.	.	H	α-helix	trans	-64.9	-51.9	178.5	0	0	0	0	0	112	L594 L599 A610 N616 S617 Y621	L594-A614 HydrophobicContact CB-CB 4.47Å; L594-A614 HydrophobicContact CD1-CB 4.08Å; L594-A614 HydrophobicContact CG-CB 4.44Å; L599-A614 HydrophobicContact CD1-CB 4.04Å; A610-A614 WeakPolarHBondContact O-CB 3.39Å; A610-A614 PolarHBondContact O-N 2.98Å; A614-N616 PolarHBondContact O-N 2.87Å; A614-S617 VanDerWaalsContact O-CB 3.26Å; A614-S617 WeakPolarHBondContact O-CB 3.37Å; A614-S617 PolarHBondContact O-N 2.76Å; A614-S617 PolarHBondContact O-OG 3.49Å; A614-Y621 HydrophobicContact CB-CE2 3.88Å; A614-Y621 WeakPolarHBondContact O-CD2 3.43Å; A614-Y621 WeakPolarHBondContact O-CE2 3.13Å
615	L	83.4	Confident	84.5	Confident	15 Å²	15	63.5 Å²	63.5	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-74	-10.4	-173.9	-64.8	-179	0	0	0	114.3	L599 V611 Y621 L623 L648 L649 K652	L599-L615 HydrophobicContact CD1-CG 4.47Å; L599-L615 HydrophobicContact CD2-CD2 4.15Å; V611-L615 HydrophobicContact CG1-CD1 3.74Å; V611-L615 HydrophobicContact CG1-CG 4.32Å; V611-L615 WeakPolarHBondContact O-CB 3.46Å; V611-L615 WeakPolarHBondContact O-CG 3.17Å; V611-L615 PolarHBondContact O-N 3.13Å; L615-Y621 HydrophobicContact CD2-CD2 4.35Å; L615-Y621 HydrophobicContact CD2-CG 4.36Å; L615-L623 HydrophobicContact CD1-CD2 4.42Å; L615-L623 HydrophobicContact CD2-CD2 3.72Å; L615-L648 HydrophobicContact CB-CD2 3.81Å; L615-L648 HydrophobicContact CD1-CD2 3.64Å; L615-L648 HydrophobicContact CG-CD2 4.33Å; L615-L649 HydrophobicContact CD1-CD2 3.72Å; L615-L649 HydrophobicContact CD1-CG 4.49Å; L615-K652 HydrophobicContact CB-CG 4.38Å; L615-K652 WeakPolarHBondContact O-CE 3.35Å; L615-K652 PolarHBondContact O-NZ 2.81Å
616	N	83.8	Confident	84.4	Confident	54 Å²	54	64.5 Å²	64.5	29%	0.289	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	6.5	166.9	-79.7	4.9	0	0	0	113.5	G584 I588 K612 A614 K652	G584-N616 PolarHBondContact O-ND2 3.44Å; I588-N616 HydrophobicContact CD1-CB 3.44Å; I588-N616 VanDerWaalsContact CD1-CB 3.44Å; K612-N616 WeakPolarHBondContact O-CB 3.39Å; K612-N616 PolarHBondContact O-N 3.48Å; K612-N616 VanDerWaalsContact O-N 3.08Å; A614-N616 PolarHBondContact O-N 2.87Å; N616-K652 WeakPolarHBondContact OD1-CE 3.37Å; N616-K652 PolarHBondContact OD1-NZ 3.19Å
617	S	81.4	Confident	84.1	Confident	47 Å²	47	65.1 Å²	65.1	33%	0.329	32%	0.324	S	S	.	.	S	Bend	trans	-69.7	173.2	168.7	108.2	0	0	0	0	110.9	L613 A614 E619	L613-S617 PolarHBondContact O-N 3.01Å; A614-S617 VanDerWaalsContact O-CB 3.26Å; A614-S617 WeakPolarHBondContact O-CB 3.37Å; A614-S617 PolarHBondContact O-N 2.76Å; A614-S617 PolarHBondContact O-OG 3.49Å; S617-E619 PolarHBondContact O-N 2.84Å; S617-E619 WeakPolarHBondContact OG-CB 3.26Å; S617-E619 PolarHBondContact OG-N 3.26Å
618	K	69.6	Low	83.9	Confident	220 Å²	220	68 Å²	68	96%	0.957	34%	0.344	S	S	*	.	S	Bend	trans	-85.9	12.1	176	-65.6	-177.8	179.3	175.3	0	113.5
619	E	76.9	Confident	83.6	Confident	101 Å²	101	66.9 Å²	66.9	47%	0.472	35%	0.348	S	S	.	.	S	Bend	trans	-100.7	134	-178.2	-61.3	-170.5	171.7	0	0	112.3	P593 S617 Y621	P593-E619 VanDerWaalsContact CB-CD 3.47Å; P593-E619 WeakPolarHBondContact CB-OE1 3.34Å; P593-E619 WeakPolarHBondContact CB-OE2 3.45Å; S617-E619 PolarHBondContact O-N 2.84Å; S617-E619 WeakPolarHBondContact OG-CB 3.26Å; S617-E619 PolarHBondContact OG-N 3.26Å; E619-Y621 VanDerWaalsContact C-N 3.29Å; E619-Y621 HydrophobicContact CB-CD2 4.46Å; E619-Y621 HydrophobicContact CB-CE2 4.13Å; E619-Y621 WeakPolarHBondContact O-CD2 3.49Å; E619-Y621 PolarHBondContact O-N 2.83Å
620	D	74.5	Confident	83.7	Confident	174 Å²	174	61.5 Å²	61.5	93%	0.93	32%	0.321	S	S	*	.			trans	-74.2	78.6	177.6	-69.6	-46.1	0	0	0	111.3	N622	D620-N622 PolarHBondContact O-N 3.32Å
621	Y	80	Confident	83.8	Confident	31 Å²	31	62.7 Å²	62.7	12%	0.122	33%	0.325	C	S	.	.			trans	-61.1	125.1	172.8	-77.5	-75.2	0	0	0	111.3	L594 L599 A614 L615 E619 L623	L594-Y621 PolarHBondContact N-OH 2.91Å; L594-Y621 VanDerWaalsContact N-OH 3.13Å; L594-Y621 VanDerWaalsContact O-CE1 3.24Å; L594-Y621 WeakPolarHBondContact O-CE1 3.19Å; L594-Y621 PolarHBondContact O-OH 2.65Å; L599-Y621 HydrophobicContact CD2-CD1 3.71Å; L599-Y621 HydrophobicContact CD2-CE1 4.36Å; L599-Y621 HydrophobicContact CD2-CG 4.01Å; A614-Y621 HydrophobicContact CB-CE2 3.88Å; A614-Y621 WeakPolarHBondContact O-CD2 3.43Å; A614-Y621 WeakPolarHBondContact O-CE2 3.13Å; L615-Y621 HydrophobicContact CD2-CD2 4.35Å; L615-Y621 HydrophobicContact CD2-CG 4.36Å; E619-Y621 VanDerWaalsContact C-N 3.29Å; E619-Y621 HydrophobicContact CB-CD2 4.46Å; E619-Y621 HydrophobicContact CB-CE2 4.13Å; E619-Y621 WeakPolarHBondContact O-CD2 3.49Å; E619-Y621 PolarHBondContact O-N 2.83Å; Y621-L623 PolarHBondContact O-N 2.98Å
622	N	83.4	Confident	83.9	Confident	96 Å²	96	62.9 Å²	62.9	51%	0.513	33%	0.326	S	S	.	.			trans	-64.3	105.8	169.4	178	11.7	0	0	0	109.5	D620 E624 Q625	D620-N622 PolarHBondContact O-N 3.32Å; N622-E624 VanDerWaalsContact C-N 3.26Å; N622-E624 PolarHBondContact O-N 3.18Å; N622-E624 PolarHBondContact OD1-N 3.46Å; N622-Q625 HydrophobicContact CB-CG 3.98Å; N622-Q625 WeakPolarHBondContact O-CG 3.33Å; N622-Q625 PolarHBondContact O-NE2 2.66Å
623	L	83.8	Confident	84.1	Confident	33 Å²	33	61.9 Å²	61.9	17%	0.173	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-17.8	179.5	-74.1	178.9	0	0	0	113.5	L615 Y621 Q625 L633 L649 K652 V654	L615-L623 HydrophobicContact CD1-CD2 4.42Å; L615-L623 HydrophobicContact CD2-CD2 3.72Å; Y621-L623 PolarHBondContact O-N 2.98Å; L623-Q625 VanDerWaalsContact C-N 3.33Å; L623-Q625 PolarHBondContact O-N 2.93Å; L623-L633 HydrophobicContact CD2-CD1 4.43Å; L623-L649 HydrophobicContact CD2-CD2 4.39Å; L623-K652 HydrophobicContact CD1-CB 3.95Å; L623-K652 WeakPolarHBondContact CD1-O 3.33Å; L623-V654 HydrophobicContact CB-CG2 3.84Å; L623-V654 HydrophobicContact CD1-CG2 4.09Å; L623-V654 HydrophobicContact CD2-CG2 3.82Å; L623-V654 HydrophobicContact CG-CG2 4.12Å
624	E	84.3	Confident	84.5	Confident	56 Å²	56	58.5 Å²	58.5	26%	0.262	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	23.9	-177.5	-59.8	-67.3	115.8	0	0	112.3	N622 R655	N622-E624 VanDerWaalsContact C-N 3.26Å; N622-E624 PolarHBondContact O-N 3.18Å; N622-E624 PolarHBondContact OD1-N 3.46Å; E624-R655 WeakPolarHBondContact OE1-CB 3.02Å; E624-R655 WeakPolarHBondContact OE1-CG 3.37Å; E624-R655 PolarHBondContact OE1-N 2.61Å; E624-R655 WeakPolarHBondContact OE2-CB 3.42Å; E624-R655 WeakPolarHBondContact OE2-CD 3.2Å; E624-R655 VanDerWaalsContact OE2-CG 3.29Å; E624-R655 WeakPolarHBondContact OE2-CG 3.13Å; E624-R655 IonicContact OE2-CZ 2.67Å; E624-R655 IonicContact OE2-NE 3.57Å; E624-R655 IonicContact OE2-NH1 3.55Å; E624-R655 PolarHBondContact OE2-NH1 3.02Å
625	Q	85.8	Confident	84.9	Confident	16 Å²	16	58.3 Å²	58.3	8%	0.075	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-68.8	129.5	176.9	-77.7	173.3	60.8	0	0	112.4	P596 N622 L623 S632	P596-Q625 PolarHBondContact O-OE1 3.08Å; N622-Q625 HydrophobicContact CB-CG 3.98Å; N622-Q625 WeakPolarHBondContact O-CG 3.33Å; N622-Q625 PolarHBondContact O-NE2 2.66Å; L623-Q625 VanDerWaalsContact C-N 3.33Å; L623-Q625 PolarHBondContact O-N 2.93Å; Q625-S632 WeakPolarHBondContact O-CA 3.37Å
626	E	88.7	Confident	85.4	Confident	104 Å²	104	58 Å²	58	49%	0.486	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-92.6	141.4	167.2	-69.9	-179.4	-156.2	0	0	111.9	G630 M631	E626-G630 WeakPolarHBondContact OE2-CA 3.4Å; E626-M631 CarbonylContact C-O 3.56Å; E626-M631 WeakPolarHBondContact CA-O 3.48Å
627	D	86.8	Confident	85.9	Confident	36 Å²	36	55.4 Å²	55.4	19%	0.193	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-68.6	168.7	159.7	176.4	50.9	0	0	0	111.8	S629 G630 M631	D627-S629 PolarHBondContact O-N 3.36Å; D627-S629 VanDerWaalsContact O-N 3.09Å; D627-S629 WeakPolarHBondContact OD2-CB 3.22Å; D627-S629 PolarHBondContact OD2-N 3.13Å; D627-S629 PolarHBondContact OD2-OG 3.41Å; D627-G630 WeakPolarHBondContact O-CA 3.5Å; D627-G630 PolarHBondContact O-N 3.03Å; D627-M631 HydrophobicContact CB-CB 4.32Å; D627-M631 PolarHBondContact N-O 3.37Å
628	V	86.2	Confident	86.5	Confident	135 Å²	135	53.2 Å²	53.2	82%	0.818	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-34.3	174	-171.2	0	0	0	0	112.1	G630	V628-G630 VanDerWaalsContact C-N 3.27Å; V628-G630 PolarHBondContact O-N 3.04Å
629	S	84.1	Confident	87.6	Confident	57 Å²	57	44 Å²	44	40%	0.399	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.3	175.1	58.5	0	0	0	0	115.4	D627 M631	D627-S629 PolarHBondContact O-N 3.36Å; D627-S629 VanDerWaalsContact O-N 3.09Å; D627-S629 WeakPolarHBondContact OD2-CB 3.22Å; D627-S629 PolarHBondContact OD2-N 3.13Å; D627-S629 PolarHBondContact OD2-OG 3.41Å; S629-M631 VanDerWaalsContact OG-CE 3.24Å; S629-M631 WeakPolarHBondContact OG-CE 3.21Å; S629-M631 WeakPolarHBondContact OG-CG 3.3Å
630	G	88.1	Confident	88.4	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.01	23%	0.23	C	C	.	.	S	Bend	trans	82.7	23.3	-172	0	0	0	0	0	114.2	E626 D627 V628 Q660	E626-G630 WeakPolarHBondContact OE2-CA 3.4Å; D627-G630 WeakPolarHBondContact O-CA 3.5Å; D627-G630 PolarHBondContact O-N 3.03Å; V628-G630 VanDerWaalsContact C-N 3.27Å; V628-G630 PolarHBondContact O-N 3.04Å; G630-Q660 WeakPolarHBondContact O-CG 3.24Å
631	M	90.6	Very high	89.3	Confident	41 Å²	41	33.2 Å²	33.2	20%	0.202	19%	0.194	C	C	.	.			trans	-94.2	123.7	179.2	-68.1	-161.7	-74	0	0	112	E626 D627 S629 M635 L636 Q660	E626-M631 CarbonylContact C-O 3.56Å; E626-M631 WeakPolarHBondContact CA-O 3.48Å; D627-M631 HydrophobicContact CB-CB 4.32Å; D627-M631 PolarHBondContact N-O 3.37Å; S629-M631 VanDerWaalsContact OG-CE 3.24Å; S629-M631 WeakPolarHBondContact OG-CE 3.21Å; S629-M631 WeakPolarHBondContact OG-CG 3.3Å; M631-M635 HydrophobicContact CB-CB 4.24Å; M631-M635 HydrophobicContact CB-SD 4.47Å; M631-L636 HydrophobicContact CB-CD2 3.99Å; M631-L636 HydrophobicContact CB-CG 4.15Å; M631-L636 HydrophobicContact CE-CD2 3.68Å; M631-L636 HydrophobicContact SD-CD2 4.27Å; M631-Q660 VanDerWaalsContact CG-NE2 3.31Å
632	S	92.5	Very high	90	Very high	5 Å²	5	34.4 Å²	34.4	4%	0.035	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-73.5	164.2	171.9	72.1	0	0	0	0	112.3	Q625 C634 M635 L636	Q625-S632 WeakPolarHBondContact O-CA 3.37Å; S632-C634 PolarHBondContact O-N 3.43Å; S632-M635 WeakPolarHBondContact O-CA 3.44Å; S632-M635 WeakPolarHBondContact O-CB 3.44Å; S632-M635 PolarHBondContact O-N 2.94Å; S632-L636 PolarHBondContact O-N 2.82Å
633	L	91.6	Very high	90.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-51.9	-41.8	175	-67.4	173.4	0	0	0	112.6	L599 R600 V603 L623 M635 L636 A637 L649	L599-L633 HydrophobicContact CD2-CD1 4.18Å; L599-L633 HydrophobicContact CG-CD2 4.44Å; R600-L633 HydrophobicContact CB-CD2 4.3Å; R600-L633 HydrophobicContact CG-CD2 3.7Å; V603-L633 HydrophobicContact CB-CD2 4.25Å; V603-L633 HydrophobicContact CG1-CD2 4.5Å; V603-L633 WeakPolarHBondContact CG1-O 3.48Å; V603-L633 HydrophobicContact CG2-CD2 4.05Å; L623-L633 HydrophobicContact CD2-CD1 4.43Å; L633-M635 PolarHBondContact O-N 2.84Å; L633-L636 PolarHBondContact O-N 2.85Å; L633-A637 PolarHBondContact O-N 3.28Å; L633-L649 HydrophobicContact CB-CD1 4.23Å; L633-L649 HydrophobicContact CB-CD2 4.11Å; L633-L649 HydrophobicContact CD1-CD2 4.23Å
634	C	93.5	Very high	90.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-42.6	174.6	178.3	0	0	0	0	112.3	S632 A638 L646 V654 A666	S632-C634 PolarHBondContact O-N 3.43Å; C634-A638 WeakPolarHBondContact O-CB 3.42Å; C634-A638 PolarHBondContact O-N 3.47Å; C634-L646 HydrophobicContact CB-CD1 4.48Å; C634-V654 HydrophobicContact CB-CG1 3.7Å; C634-A666 VanDerWaalsContact SG-CB 3.55Å
635	M	93.9	Very high	91.3	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-67.7	-36.9	176.5	-63.2	173.4	-169.7	0	0	112.6	M631 S632 L633 A638 A639 A658 Q660 A666	M631-M635 HydrophobicContact CB-CB 4.24Å; M631-M635 HydrophobicContact CB-SD 4.47Å; S632-M635 WeakPolarHBondContact O-CA 3.44Å; S632-M635 WeakPolarHBondContact O-CB 3.44Å; S632-M635 PolarHBondContact O-N 2.94Å; L633-M635 PolarHBondContact O-N 2.84Å; M635-A638 PolarHBondContact O-N 2.8Å; M635-A639 WeakPolarHBondContact O-CB 3.42Å; M635-A639 PolarHBondContact O-N 2.97Å; M635-A658 HydrophobicContact CE-CB 3.86Å; M635-A658 WeakPolarHBondContact CE-O 3.15Å; M635-Q660 HydrophobicContact CE-CG 3.89Å; M635-Q660 HydrophobicContact SD-CG 3.37Å; M635-Q660 WeakPolarHBondContact SD-CG 3.35Å; M635-A666 HydrophobicContact CG-CB 4.15Å
636	L	93.5	Very high	91.7	Very high	8 Å²	8	31 Å²	31	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-63.8	-48.2	176.8	-69.7	172.3	0	0	0	110.7	R600 V603 K604 M631 S632 L633 A639 G640	R600-L636 HydrophobicContact CB-CD1 4.09Å; R600-L636 HydrophobicContact CG-CD1 4.34Å; V603-L636 HydrophobicContact CG1-CB 3.87Å; K604-L636 HydrophobicContact CB-CD2 4.43Å; K604-L636 HydrophobicContact CD-CD2 4.29Å; K604-L636 HydrophobicContact CG-CD2 4.42Å; M631-L636 HydrophobicContact CB-CD2 3.99Å; M631-L636 HydrophobicContact CB-CG 4.15Å; M631-L636 HydrophobicContact CE-CD2 3.68Å; M631-L636 HydrophobicContact SD-CD2 4.27Å; S632-L636 PolarHBondContact O-N 2.82Å; L633-L636 PolarHBondContact O-N 2.85Å; L636-A639 PolarHBondContact O-N 3.35Å; L636-G640 PolarHBondContact O-N 3.07Å; L636-G640 VanDerWaalsContact O-N 3.16Å
637	A	94	Very high	91.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-47.2	174.6	0	0	0	0	0	111.6	V603 L633 A639 G640 G641 Q642 I645 L646 L649	V603-A637 HydrophobicContact CG1-CB 3.93Å; L633-A637 PolarHBondContact O-N 3.28Å; A637-A639 PolarHBondContact O-N 3.26Å; A637-G640 CarbonylContact O-C 3.55Å; A637-G640 PolarHBondContact O-N 3.21Å; A637-G641 PolarHBondContact O-N 3.24Å; A637-Q642 HydrophobicContact CB-CB 4.34Å; A637-Q642 PolarHBondContact O-N 3.35Å; A637-I645 HydrophobicContact CB-CG2 4.07Å; A637-L646 HydrophobicContact CB-CB 4.06Å; A637-L646 HydrophobicContact CB-CD1 4.4Å; A637-L649 HydrophobicContact CB-CD1 4Å
638	A	94.9	Very high	92.1	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.9	-32.2	-178.2	0	0	0	0	0	114.1	C634 M635 G640 L646 A666 F675 T678 L682	C634-A638 WeakPolarHBondContact O-CB 3.42Å; C634-A638 PolarHBondContact O-N 3.47Å; M635-A638 PolarHBondContact O-N 2.8Å; A638-G640 VanDerWaalsContact C-N 3.3Å; A638-L646 HydrophobicContact CB-CD2 4.44Å; A638-A666 HydrophobicContact CB-CB 3.86Å; A638-F675 WeakPolarHBondContact O-CD2 3.29Å; A638-T678 HydrophobicContact CB-CG2 3.93Å; A638-L682 HydrophobicContact CB-CD1 3.95Å
639	A	93.8	Very high	92.3	Very high	26 Å²	26	23.6 Å²	23.6	22%	0.215	14%	0.136	C	C	.	.	H	α-helix	trans	-77.4	-16.5	174.9	0	0	0	0	0	113.2	M635 L636 A637 H669	M635-A639 WeakPolarHBondContact O-CB 3.42Å; M635-A639 PolarHBondContact O-N 2.97Å; L636-A639 PolarHBondContact O-N 3.35Å; A637-A639 PolarHBondContact O-N 3.26Å; A639-H669 HydrophobicContact CB-CB 3.92Å
640	G	92.3	Very high	92.6	Very high	32 Å²	32	23.1 Å²	23.1	33%	0.33	13%	0.129	S	C	.	.	H	α-helix	trans	-98.5	-10.2	172.8	0	0	0	0	0	115.2	L636 A637 A638	L636-G640 PolarHBondContact O-N 3.07Å; L636-G640 VanDerWaalsContact O-N 3.16Å; A637-G640 CarbonylContact O-C 3.55Å; A637-G640 PolarHBondContact O-N 3.21Å; A638-G640 VanDerWaalsContact C-N 3.3Å
641	G	93.1	Very high	92.7	Very high	18 Å²	18	32.7 Å²	32.7	19%	0.186	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	25.4	-175.6	0	0	0	0	0	113.6	A637 D643 F675	A637-G641 PolarHBondContact O-N 3.24Å; G641-D643 PolarHBondContact O-N 2.96Å; G641-F675 VanDerWaalsContact CA-CD2 3.47Å
642	Q	94.5	Very high	92.6	Very high	56 Å²	56	34.9 Å²	34.9	26%	0.262	17%	0.173	S	C	.	.			trans	-85.8	73.1	-169.9	-58.9	-64.3	-10.1	0	0	111.5	G606 A637 D644 I645 L646	G606-Q642 VanDerWaalsContact CA-CD 3.44Å; A637-Q642 HydrophobicContact CB-CB 4.34Å; A637-Q642 PolarHBondContact O-N 3.35Å; Q642-D644 PolarHBondContact O-N 2.81Å; Q642-I645 HydrophobicContact CB-CB 4.04Å; Q642-I645 HydrophobicContact CB-CD1 4.21Å; Q642-I645 HydrophobicContact CB-CG1 4.48Å; Q642-I645 PolarHBondContact O-N 3.48Å; Q642-L646 WeakPolarHBondContact O-CB 3.16Å; Q642-L646 PolarHBondContact O-N 3.33Å
643	D	94.1	Very high	92.3	Very high	36 Å²	36	37.3 Å²	37.3	19%	0.193	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-48.5	-169.1	-69.8	-37	0	0	0	114	G641 I645 L646 R647 T677 T678 M681	G641-D643 PolarHBondContact O-N 2.96Å; D643-I645 VanDerWaalsContact C-N 3.33Å; D643-I645 PolarHBondContact O-N 3.11Å; D643-L646 PolarHBondContact O-N 3.08Å; D643-L646 VanDerWaalsContact O-N 3.14Å; D643-R647 WeakPolarHBondContact O-CG 3.44Å; D643-R647 PolarHBondContact O-N 2.81Å; D643-T677 HydrophobicContact CB-CG2 4.47Å; D643-T677 WeakPolarHBondContact OD2-CB 3.16Å; D643-T677 VanDerWaalsContact OD2-CG2 3.28Å; D643-T677 WeakPolarHBondContact OD2-CG2 3.36Å; D643-T678 WeakPolarHBondContact OD1-CA 3.25Å; D643-T678 WeakPolarHBondContact OD1-CB 3.24Å; D643-T678 PolarHBondContact OD1-N 3.04Å; D643-T678 VanDerWaalsContact OD1-N 3.1Å; D643-T678 PolarHBondContact OD1-OG1 3.47Å; D643-M681 HydrophobicContact CB-CE 3.88Å; D643-M681 HydrophobicContact CB-SD 4.21Å; D643-M681 WeakPolarHBondContact O-CE 3.43Å
644	D	92.2	Very high	92.2	Very high	90 Å²	90	37.7 Å²	37.7	48%	0.481	20%	0.201	S	C	.	.	H	α-helix	trans	-71.4	-28.9	-176.9	-65.4	-49.5	0	0	0	113.1	Y608 Q642 R647 L648	Y608-D644 HydrophobicContact CD2-CB 3.89Å; Y608-D644 HydrophobicContact CE2-CB 3.86Å; Q642-D644 PolarHBondContact O-N 2.81Å; D644-R647 IonicContact OD1-CZ 3.65Å; D644-R647 IonicContact OD1-NH1 2.87Å; D644-R647 PolarHBondContact OD1-NH1 3.19Å; D644-L648 WeakPolarHBondContact O-CB 3.48Å; D644-L648 PolarHBondContact O-N 2.98Å; D644-L648 VanDerWaalsContact O-N 3.12Å
645	I	93	Very high	91.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-45.8	168.4	-70.4	179.1	0	0	0	110	V603 Y608 V611 A637 Q642 D643 R647 L648 L649	V603-I645 HydrophobicContact CB-CG2 4.37Å; V603-I645 HydrophobicContact CG1-CG2 4.05Å; V603-I645 HydrophobicContact CG2-CG2 3.94Å; Y608-I645 HydrophobicContact CD2-CG1 4.03Å; V611-I645 HydrophobicContact CG1-CG2 4.27Å; V611-I645 HydrophobicContact CG2-CD1 4.3Å; A637-I645 HydrophobicContact CB-CG2 4.07Å; Q642-I645 HydrophobicContact CB-CB 4.04Å; Q642-I645 HydrophobicContact CB-CD1 4.21Å; Q642-I645 HydrophobicContact CB-CG1 4.48Å; Q642-I645 PolarHBondContact O-N 3.48Å; D643-I645 VanDerWaalsContact C-N 3.33Å; D643-I645 PolarHBondContact O-N 3.11Å; I645-R647 PolarHBondContact O-N 3.37Å; I645-L648 PolarHBondContact O-N 3.01Å; I645-L649 HydrophobicContact CG2-CD1 3.76Å; I645-L649 HydrophobicContact CG2-CG 4.29Å; I645-L649 WeakPolarHBondContact O-CB 3.2Å; I645-L649 VanDerWaalsContact O-CG 3.31Å; I645-L649 WeakPolarHBondContact O-CG 3.38Å; I645-L649 PolarHBondContact O-N 2.83Å
646	L	94	Very high	91.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-39.8	179.4	-178.4	56.5	0	0	0	111.9	C634 A637 A638 Q642 D643 L648 L649 I650 T678 M681 L682	C634-L646 HydrophobicContact CB-CD1 4.48Å; A637-L646 HydrophobicContact CB-CB 4.06Å; A637-L646 HydrophobicContact CB-CD1 4.4Å; A638-L646 HydrophobicContact CB-CD2 4.44Å; Q642-L646 WeakPolarHBondContact O-CB 3.16Å; Q642-L646 PolarHBondContact O-N 3.33Å; D643-L646 PolarHBondContact O-N 3.08Å; D643-L646 VanDerWaalsContact O-N 3.14Å; L646-L648 VanDerWaalsContact C-N 3.35Å; L646-L648 PolarHBondContact O-N 2.79Å; L646-L649 PolarHBondContact O-N 2.72Å; L646-I650 HydrophobicContact CD1-CD1 3.93Å; L646-I650 HydrophobicContact CD1-CG1 4.19Å; L646-I650 HydrophobicContact CG-CD1 3.86Å; L646-I650 WeakPolarHBondContact O-CB 3.12Å; L646-I650 WeakPolarHBondContact O-CD1 3.35Å; L646-I650 VanDerWaalsContact O-CG1 3.22Å; L646-I650 WeakPolarHBondContact O-CG1 3.29Å; L646-I650 PolarHBondContact O-N 2.93Å; L646-T678 HydrophobicContact CD2-CG2 3.57Å; L646-M681 HydrophobicContact CB-CE 3.97Å; L646-M681 HydrophobicContact CD2-CE 3.85Å; L646-M681 HydrophobicContact CG-CE 3.97Å; L646-L682 HydrophobicContact CD1-CD2 4.22Å; L646-L682 HydrophobicContact CD2-CD1 4.37Å; L646-L682 HydrophobicContact CD2-CD2 3.99Å; L646-L682 HydrophobicContact CD2-CG 3.96Å
647	R	92.8	Very high	91.5	Very high	107 Å²	107	48 Å²	48	40%	0.404	24%	0.244	S	C	.	.	H	α-helix	trans	-57.6	-45.6	170.7	-74.1	169	171.2	168.5	-2.7	111.9	D643 D644 I645 I650 R651 M681	D643-R647 WeakPolarHBondContact O-CG 3.44Å; D643-R647 PolarHBondContact O-N 2.81Å; D644-R647 IonicContact OD1-CZ 3.65Å; D644-R647 IonicContact OD1-NH1 2.87Å; D644-R647 PolarHBondContact OD1-NH1 3.19Å; I645-R647 PolarHBondContact O-N 3.37Å; R647-I650 PolarHBondContact O-N 3.08Å; R647-R651 VanDerWaalsContact O-CG 3.28Å; R647-R651 WeakPolarHBondContact O-CG 3.38Å; R647-R651 PolarHBondContact O-N 3.04Å; R647-M681 HydrophobicContact CG-CE 3.88Å; R647-M681 HydrophobicContact CG-SD 3.48Å; R647-M681 WeakPolarHBondContact CG-SD 3.4Å; R647-M681 PolarHBondContact NE-SD 2.53Å
648	L	91.3	Very high	91.3	Very high	14 Å²	14	49 Å²	49	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-68	-41.8	-179.4	-161.7	153.5	0	0	0	111.3	Y608 K612 L615 D644 I645 L646 R651 K652	Y608-L648 HydrophobicContact CE2-CD1 3.92Å; K612-L648 HydrophobicContact CB-CD1 3.83Å; K612-L648 HydrophobicContact CG-CD1 3.99Å; L615-L648 HydrophobicContact CB-CD2 3.81Å; L615-L648 HydrophobicContact CD1-CD2 3.64Å; L615-L648 HydrophobicContact CG-CD2 4.33Å; D644-L648 WeakPolarHBondContact O-CB 3.48Å; D644-L648 PolarHBondContact O-N 2.98Å; D644-L648 VanDerWaalsContact O-N 3.12Å; I645-L648 PolarHBondContact O-N 3.01Å; L646-L648 VanDerWaalsContact C-N 3.35Å; L646-L648 PolarHBondContact O-N 2.79Å; L648-R651 PolarHBondContact O-N 3.4Å; L648-K652 HydrophobicContact CD2-CG 4.25Å; L648-K652 VanDerWaalsContact O-CG 3.3Å; L648-K652 WeakPolarHBondContact O-CG 3.13Å; L648-K652 PolarHBondContact O-N 2.77Å; L648-K652 VanDerWaalsContact O-N 3.11Å
649	L	91.1	Very high	91.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60	-44.5	172.8	-76.2	171.6	0	0	0	112.5	V603 L615 L623 L633 A637 I645 L646 K652 G653 V654	V603-L649 HydrophobicContact CG1-CD1 4.18Å; V603-L649 HydrophobicContact CG2-CD1 4.32Å; L615-L649 HydrophobicContact CD1-CD2 3.72Å; L615-L649 HydrophobicContact CD1-CG 4.49Å; L623-L649 HydrophobicContact CD2-CD2 4.39Å; L633-L649 HydrophobicContact CB-CD1 4.23Å; L633-L649 HydrophobicContact CB-CD2 4.11Å; L633-L649 HydrophobicContact CD1-CD2 4.23Å; A637-L649 HydrophobicContact CB-CD1 4Å; I645-L649 HydrophobicContact CG2-CD1 3.76Å; I645-L649 HydrophobicContact CG2-CG 4.29Å; I645-L649 WeakPolarHBondContact O-CB 3.2Å; I645-L649 VanDerWaalsContact O-CG 3.31Å; I645-L649 WeakPolarHBondContact O-CG 3.38Å; I645-L649 PolarHBondContact O-N 2.83Å; L646-L649 PolarHBondContact O-N 2.72Å; L649-K652 PolarHBondContact O-N 2.77Å; L649-G653 PolarHBondContact O-N 3.19Å; L649-V654 HydrophobicContact CB-CG2 3.89Å; L649-V654 HydrophobicContact CD2-CG2 3.82Å; L649-V654 HydrophobicContact CG-CG2 4.43Å; L649-V654 VanDerWaalsContact O-CG2 3.26Å; L649-V654 WeakPolarHBondContact O-CG2 3.48Å; L649-V654 PolarHBondContact O-N 2.66Å
650	I	90.8	Very high	91	Very high	47 Å²	47	55 Å²	55	24%	0.241	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-45.1	176.8	-70.5	163.8	0	0	0	110.7	L646 R647 K652 G653 V656 A685	L646-I650 HydrophobicContact CD1-CD1 3.93Å; L646-I650 HydrophobicContact CD1-CG1 4.19Å; L646-I650 HydrophobicContact CG-CD1 3.86Å; L646-I650 WeakPolarHBondContact O-CB 3.12Å; L646-I650 WeakPolarHBondContact O-CD1 3.35Å; L646-I650 VanDerWaalsContact O-CG1 3.22Å; L646-I650 WeakPolarHBondContact O-CG1 3.29Å; L646-I650 PolarHBondContact O-N 2.93Å; R647-I650 PolarHBondContact O-N 3.08Å; I650-K652 PolarHBondContact O-N 3.16Å; I650-G653 PolarHBondContact O-N 2.73Å; I650-V656 HydrophobicContact CG1-CG2 4.15Å; I650-A685 HydrophobicContact CD1-CB 3.92Å; I650-A685 HydrophobicContact CG1-CB 4.4Å; I650-A685 HydrophobicContact CG2-CB 4.01Å
651	R	89.9	Confident	90.9	Very high	201 Å²	201	61 Å²	61	76%	0.758	29%	0.287	S	S	*	.	H	α-helix	trans	-59.4	-28.4	175.3	-72.4	172.4	-169.7	175.5	3.5	113.4	R647 L648	R647-R651 VanDerWaalsContact O-CG 3.28Å; R647-R651 WeakPolarHBondContact O-CG 3.38Å; R647-R651 PolarHBondContact O-N 3.04Å; L648-R651 PolarHBondContact O-N 3.4Å
652	K	88.5	Confident	90.8	Very high	87 Å²	87	63.6 Å²	63.6	38%	0.378	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.7	176.4	-65.1	-77.7	174.4	168.7	0	113.5	L615 N616 L623 L648 L649 I650	L615-K652 HydrophobicContact CB-CG 4.38Å; L615-K652 WeakPolarHBondContact O-CE 3.35Å; L615-K652 PolarHBondContact O-NZ 2.81Å; N616-K652 WeakPolarHBondContact OD1-CE 3.37Å; N616-K652 PolarHBondContact OD1-NZ 3.19Å; L623-K652 HydrophobicContact CD1-CB 3.95Å; L623-K652 WeakPolarHBondContact CD1-O 3.33Å; L648-K652 HydrophobicContact CD2-CG 4.25Å; L648-K652 VanDerWaalsContact O-CG 3.3Å; L648-K652 WeakPolarHBondContact O-CG 3.13Å; L648-K652 PolarHBondContact O-N 2.77Å; L648-K652 VanDerWaalsContact O-N 3.11Å; L649-K652 PolarHBondContact O-N 2.77Å; I650-K652 PolarHBondContact O-N 3.16Å
653	G	85.8	Confident	90.6	Very high	57 Å²	57	61.1 Å²	61.1	59%	0.588	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	22.3	171.5	0	0	0	0	0	116.2	L649 I650	L649-G653 PolarHBondContact O-N 3.19Å; I650-G653 PolarHBondContact O-N 2.73Å
654	V	88.8	Confident	90.6	Very high	8 Å²	8	60 Å²	60	5%	0.048	28%	0.281	C	S	.	.			trans	-58.4	139.9	173.5	176.7	0	0	0	0	111.2	L623 C634 L649 V656	L623-V654 HydrophobicContact CB-CG2 3.84Å; L623-V654 HydrophobicContact CD1-CG2 4.09Å; L623-V654 HydrophobicContact CD2-CG2 3.82Å; L623-V654 HydrophobicContact CG-CG2 4.12Å; C634-V654 HydrophobicContact CB-CG1 3.7Å; L649-V654 HydrophobicContact CB-CG2 3.89Å; L649-V654 HydrophobicContact CD2-CG2 3.82Å; L649-V654 HydrophobicContact CG-CG2 4.43Å; L649-V654 VanDerWaalsContact O-CG2 3.26Å; L649-V654 WeakPolarHBondContact O-CG2 3.48Å; L649-V654 PolarHBondContact O-N 2.66Å; V654-V656 PolarHBondContact O-N 2.83Å
655	R	88.3	Confident	90.7	Very high	166 Å²	166	55.9 Å²	55.9	63%	0.626	26%	0.259	S	S	*	.			trans	-69.3	99.6	174.2	-64.6	-171	-166.7	124.2	-10	111.8	E624 N657 A658	E624-R655 WeakPolarHBondContact OE1-CB 3.02Å; E624-R655 WeakPolarHBondContact OE1-CG 3.37Å; E624-R655 PolarHBondContact OE1-N 2.61Å; E624-R655 WeakPolarHBondContact OE2-CB 3.42Å; E624-R655 WeakPolarHBondContact OE2-CD 3.2Å; E624-R655 VanDerWaalsContact OE2-CG 3.29Å; E624-R655 WeakPolarHBondContact OE2-CG 3.13Å; E624-R655 IonicContact OE2-CZ 2.67Å; E624-R655 IonicContact OE2-NE 3.57Å; E624-R655 IonicContact OE2-NH1 3.55Å; E624-R655 PolarHBondContact OE2-NH1 3.02Å; R655-N657 PolarHBondContact O-N 3.06Å; R655-A658 WeakPolarHBondContact O-CB 3.33Å; R655-A658 PolarHBondContact O-N 2.85Å
656	V	89.3	Confident	90.8	Very high	16 Å²	16	55.9 Å²	55.9	10%	0.097	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-41.6	173.7	-174.7	0	0	0	0	112.1	I650 V654 A658 L682 A685 S687	I650-V656 HydrophobicContact CG1-CG2 4.15Å; V654-V656 PolarHBondContact O-N 2.83Å; V656-A658 VanDerWaalsContact C-N 3.28Å; V656-A658 PolarHBondContact O-N 2.84Å; V656-L682 HydrophobicContact CG1-CD2 3.74Å; V656-A685 HydrophobicContact CG1-CB 4.47Å; V656-A685 HydrophobicContact CG2-CB 3.96Å; V656-S687 WeakPolarHBondContact CG1-OG 3.41Å
657	N	89.6	Confident	90.9	Very high	44 Å²	44	55.9 Å²	55.9	24%	0.235	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	21.4	-177.5	-73.6	-49.4	0	0	0	115.3	R655 G686 S687 Y688	R655-N657 PolarHBondContact O-N 3.06Å; N657-G686 PolarHBondContact ND2-O 3.01Å; N657-S687 WeakPolarHBondContact OD1-CA 3.49Å; N657-Y688 HydrophobicContact CB-CD2 3.79Å; N657-Y688 HydrophobicContact CB-CE2 3.68Å; N657-Y688 VanDerWaalsContact CG-CD2 3.45Å; N657-Y688 WeakPolarHBondContact OD1-CD2 3.12Å; N657-Y688 PolarHBondContact OD1-N 3.23Å
658	A	89.8	Confident	91.1	Very high	21 Å²	21	50.9 Å²	50.9	17%	0.174	24%	0.24	C	C	.	.			trans	-58.7	149.5	169.5	0	0	0	0	0	111.6	M635 R655 V656	M635-A658 HydrophobicContact CE-CB 3.86Å; M635-A658 WeakPolarHBondContact CE-O 3.15Å; R655-A658 WeakPolarHBondContact O-CB 3.33Å; R655-A658 PolarHBondContact O-N 2.85Å; V656-A658 VanDerWaalsContact C-N 3.28Å; V656-A658 PolarHBondContact O-N 2.84Å
659	R	91.2	Very high	91.3	Very high	135 Å²	135	52 Å²	52	51%	0.509	25%	0.245	S	C	.	.			trans	-131.6	132.8	-179.4	-70.9	176.6	74.3	-155.5	7.7	111.3	G663 T664 T665 Q692	R659-G663 PolarHBondContact NE-O 2.97Å; R659-G663 VanDerWaalsContact NE-O 3.1Å; R659-T664 WeakPolarHBondContact CA-O 3.23Å; R659-T665 HydrophobicContact CG-CG2 3.78Å; R659-Q692 PolarHBondContact NH2-O 2.94Å
660	Q	91.8	Very high	91.5	Very high	18 Å²	18	52 Å²	52	8%	0.084	25%	0.245	C	C	.	.			trans	-65.5	168.3	173.3	-59.9	-175.2	-2.6	0	0	111.5	G630 M631 M635 N662 G663 T664 H669	G630-Q660 WeakPolarHBondContact O-CG 3.24Å; M631-Q660 VanDerWaalsContact CG-NE2 3.31Å; M635-Q660 HydrophobicContact CE-CG 3.89Å; M635-Q660 HydrophobicContact SD-CG 3.37Å; M635-Q660 WeakPolarHBondContact SD-CG 3.35Å; Q660-N662 VanDerWaalsContact CB-OD1 3.32Å; Q660-N662 WeakPolarHBondContact CB-OD1 3.24Å; Q660-N662 PolarHBondContact O-N 3.26Å; Q660-N662 PolarHBondContact OE1-ND2 3.44Å; Q660-N662 PolarHBondContact OE1-OD1 3.2Å; Q660-G663 WeakPolarHBondContact O-CA 3.48Å; Q660-G663 PolarHBondContact O-N 3.49Å; Q660-T664 WeakPolarHBondContact CG-O 3.32Å; Q660-T664 PolarHBondContact N-O 2.94Å; Q660-H669 PolarHBondContact NE2-NE2 2.94Å
661	K	90	Very high	91.8	Very high	158 Å²	158	49.8 Å²	49.8	69%	0.687	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-23.4	171.6	-65	166	-173.2	162	0	114.3	L694	K661-L694 WeakPolarHBondContact O-CD1 3.43Å
662	N	90.1	Very high	92	Very high	72 Å²	72	42.8 Å²	42.8	39%	0.385	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	5	174.8	64.2	24.9	0	0	0	113.7	Q660 T664 L694	Q660-N662 VanDerWaalsContact CB-OD1 3.32Å; Q660-N662 WeakPolarHBondContact CB-OD1 3.24Å; Q660-N662 PolarHBondContact O-N 3.26Å; Q660-N662 PolarHBondContact OE1-ND2 3.44Å; Q660-N662 PolarHBondContact OE1-OD1 3.2Å; N662-T664 WeakPolarHBondContact OD1-CB 3.01Å; N662-T664 PolarHBondContact OD1-N 3.36Å; N662-T664 PolarHBondContact OD1-OG1 3.48Å; N662-L694 PolarHBondContact O-N 3.14Å
663	G	90.3	Very high	92.3	Very high	4 Å²	4	44.5 Å²	44.5	4%	0.041	22%	0.217	C	C	.	.	S	Bend	trans	85.7	-4.7	-178.5	0	0	0	0	0	116.3	R659 Q660	R659-G663 PolarHBondContact NE-O 2.97Å; R659-G663 VanDerWaalsContact NE-O 3.1Å; Q660-G663 WeakPolarHBondContact O-CA 3.48Å; Q660-G663 PolarHBondContact O-N 3.49Å
664	T	94.2	Very high	92.7	Very high	12 Å²	12	45.5 Å²	45.5	7%	0.074	21%	0.209	C	C	.	.			trans	-69.5	138.7	-174.6	-50.6	0	0	0	0	112.6	R659 Q660 N662 M668 H669 T693	R659-T664 WeakPolarHBondContact CA-O 3.23Å; Q660-T664 WeakPolarHBondContact CG-O 3.32Å; Q660-T664 PolarHBondContact N-O 2.94Å; N662-T664 WeakPolarHBondContact OD1-CB 3.01Å; N662-T664 PolarHBondContact OD1-N 3.36Å; N662-T664 PolarHBondContact OD1-OG1 3.48Å; T664-M668 HydrophobicContact CG2-CB 3.68Å; T664-M668 HydrophobicContact CG2-CG 4.41Å; T664-M668 HydrophobicContact CG2-SD 3.83Å; T664-H669 WeakPolarHBondContact CG2-NE2 3.03Å; T664-T693 WeakPolarHBondContact OG1-CG2 3.29Å
665	T	94.7	Very high	93.1	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.031	22%	0.22	C	C	.	.			trans	-103	168.6	176	59.5	0	0	0	0	112.2	R659 L667 M668 H669 A691	R659-T665 HydrophobicContact CG-CG2 3.78Å; T665-L667 VanDerWaalsContact C-N 3.29Å; T665-L667 PolarHBondContact O-N 3.26Å; T665-M668 PolarHBondContact O-N 3.37Å; T665-M668 WeakPolarHBondContact OG1-CG 3.35Å; T665-M668 PolarHBondContact OG1-N 2.95Å; T665-H669 PolarHBondContact O-CD2 3.3Å; T665-A691 HydrophobicContact CG2-CB 4.01Å
666	A	95.2	Very high	93.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-57.1	-41.5	172.2	0	0	0	0	0	112.5	C634 M635 A638 M668 H669 A670 L682	C634-A666 VanDerWaalsContact SG-CB 3.55Å; M635-A666 HydrophobicContact CG-CB 4.15Å; A638-A666 HydrophobicContact CB-CB 3.86Å; A666-M668 VanDerWaalsContact C-N 3.3Å; A666-M668 PolarHBondContact O-N 2.92Å; A666-H669 PolarHBondContact O-N 2.84Å; A666-H669 VanDerWaalsContact O-N 3.1Å; A666-A670 PolarHBondContact O-N 3.25Å; A666-A670 VanDerWaalsContact O-N 3.14Å; A666-L682 HydrophobicContact CB-CD1 4.14Å; A666-L682 HydrophobicContact CB-CD2 4.04Å
667	L	96.2	Very high	93.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-57.7	-39.8	178.2	-174.5	69.7	0	0	0	112.6	T665 H669 A670 A671 V679 L682 L683 V689 A699 L715	T665-L667 VanDerWaalsContact C-N 3.29Å; T665-L667 PolarHBondContact O-N 3.26Å; L667-H669 VanDerWaalsContact C-N 3.34Å; L667-H669 PolarHBondContact O-N 3.13Å; L667-A670 PolarHBondContact O-N 3.08Å; L667-A671 WeakPolarHBondContact O-CB 3.21Å; L667-A671 PolarHBondContact O-N 3.33Å; L667-V679 HydrophobicContact CD1-CB 4.45Å; L667-V679 HydrophobicContact CD1-CG1 3.96Å; L667-V679 HydrophobicContact CD1-CG2 4.41Å; L667-L682 HydrophobicContact CD1-CB 3.99Å; L667-L683 HydrophobicContact CD1-CD2 3.91Å; L667-L683 HydrophobicContact CD1-CG 3.95Å; L667-L683 HydrophobicContact CD2-CD2 3.95Å; L667-V689 HydrophobicContact CD2-CB 4.43Å; L667-V689 HydrophobicContact CD2-CG1 4.49Å; L667-V689 HydrophobicContact CD2-CG2 4.4Å; L667-A699 HydrophobicContact CD2-CB 3.92Å; L667-A699 HydrophobicContact CG-CB 3.95Å; L667-L715 HydrophobicContact CD1-CD2 4.36Å; L667-L715 HydrophobicContact CD2-CD2 4.21Å; L667-L715 HydrophobicContact CG-CD2 4.46Å
668	M	96.1	Very high	94	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-66.2	-33.7	177.6	-68.6	171.2	-172.2	0	0	113	T664 T665 A666 E672 A691 T693 A699 K702	T664-M668 HydrophobicContact CG2-CB 3.68Å; T664-M668 HydrophobicContact CG2-CG 4.41Å; T664-M668 HydrophobicContact CG2-SD 3.83Å; T665-M668 PolarHBondContact O-N 3.37Å; T665-M668 WeakPolarHBondContact OG1-CG 3.35Å; T665-M668 PolarHBondContact OG1-N 2.95Å; A666-M668 VanDerWaalsContact C-N 3.3Å; A666-M668 PolarHBondContact O-N 2.92Å; M668-E672 WeakPolarHBondContact O-CB 3.03Å; M668-E672 PolarHBondContact O-N 3.22Å; M668-A691 VanDerWaalsContact CE-C 3.48Å; M668-A691 HydrophobicContact CE-CB 4.04Å; M668-A691 WeakPolarHBondContact CE-O 3.46Å; M668-T693 HydrophobicContact CE-CG2 4.28Å; M668-T693 HydrophobicContact SD-CG2 3.58Å; M668-T693 VanDerWaalsContact SD-CG2 3.58Å; M668-A699 HydrophobicContact CG-CB 4.11Å; M668-K702 HydrophobicContact CB-CG 4.35Å
669	H	95.4	Very high	94.3	Very high	38 Å²	38	43.4 Å²	43.4	18%	0.176	21%	0.206	C	C	.	.	H	α-helix	trans	-70	-49.3	175.5	-76.1	-73.3	0	0	0	111.3	A639 Q660 T664 T665 A666 L667 A671 E672 K673	A639-H669 HydrophobicContact CB-CB 3.92Å; Q660-H669 PolarHBondContact NE2-NE2 2.94Å; T664-H669 WeakPolarHBondContact CG2-NE2 3.03Å; T665-H669 PolarHBondContact O-CD2 3.3Å; A666-H669 PolarHBondContact O-N 2.84Å; A666-H669 VanDerWaalsContact O-N 3.1Å; L667-H669 VanDerWaalsContact C-N 3.34Å; L667-H669 PolarHBondContact O-N 3.13Å; H669-A671 VanDerWaalsContact C-N 3.27Å; H669-A671 PolarHBondContact O-N 2.68Å; H669-E672 PolarHBondContact O-N 2.89Å; H669-K673 VanDerWaalsContact O-CB 3.3Å; H669-K673 WeakPolarHBondContact O-CB 3.19Å; H669-K673 WeakPolarHBondContact O-CG 3.15Å; H669-K673 PolarHBondContact O-N 3.48Å
670	A	96.3	Very high	94.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58	-42.2	176.7	0	0	0	0	0	111.5	A666 L667 K673 N674 F675 T678 V679 L682	A666-A670 PolarHBondContact O-N 3.25Å; A666-A670 VanDerWaalsContact O-N 3.14Å; L667-A670 PolarHBondContact O-N 3.08Å; A670-K673 PolarHBondContact O-N 2.59Å; A670-N674 PolarHBondContact O-N 3.24Å; A670-N674 VanDerWaalsContact O-N 3.12Å; A670-F675 HydrophobicContact CB-CB 4.46Å; A670-F675 PolarHBondContact O-N 2.73Å; A670-T678 HydrophobicContact CB-CG2 3.71Å; A670-V679 HydrophobicContact CB-CG2 3.59Å; A670-L682 HydrophobicContact CB-CD1 4.04Å
671	A	96.4	Very high	94.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.5	-39.2	176.2	0	0	0	0	0	113.8	L667 H669 K673 V679 A699 K702 A703 N708 I711 L715	L667-A671 WeakPolarHBondContact O-CB 3.21Å; L667-A671 PolarHBondContact O-N 3.33Å; H669-A671 VanDerWaalsContact C-N 3.27Å; H669-A671 PolarHBondContact O-N 2.68Å; A671-K673 VanDerWaalsContact C-N 3.34Å; A671-V679 HydrophobicContact CB-CG2 4.36Å; A671-A699 HydrophobicContact CB-CB 4.34Å; A671-K702 HydrophobicContact CB-CB 4.47Å; A671-A703 HydrophobicContact CB-CB 4.42Å; A671-N708 PolarHBondContact O-ND2 3.32Å; A671-I711 HydrophobicContact CB-CG2 4.01Å; A671-L715 HydrophobicContact CB-CD1 4.39Å
672	E	94.7	Very high	94.8	Very high	54 Å²	54	30.3 Å²	30.3	25%	0.252	16%	0.157	S	C	.	.	H	α-helix	trans	-73.4	-25.7	176.1	-164.2	174.8	152.7	0	0	112.6	M668 H669 K702 R706	M668-E672 WeakPolarHBondContact O-CB 3.03Å; M668-E672 PolarHBondContact O-N 3.22Å; H669-E672 PolarHBondContact O-N 2.89Å; E672-K702 HydrophobicContact CB-CB 4.07Å; E672-K702 HydrophobicContact CB-CD 4.44Å; E672-K702 HydrophobicContact CB-CG 4.4Å; E672-K702 HydrophobicContact CG-CD 4.45Å; E672-K702 VanDerWaalsContact OE2-CD 3.25Å; E672-K702 WeakPolarHBondContact OE2-CD 3.21Å; E672-K702 WeakPolarHBondContact OE2-CE 3.23Å; E672-K702 IonicContact OE2-NZ 2.69Å; E672-K702 PolarHBondContact OE2-NZ 3.01Å; E672-R706 HydrophobicContact CG-CG 4.11Å; E672-R706 WeakPolarHBondContact O-CG 3.31Å; E672-R706 PolarHBondContact O-NE 3.31Å; E672-R706 IonicContact OE1-CZ 3.79Å; E672-R706 IonicContact OE1-NE 3.2Å; E672-R706 IonicContact OE1-NH2 2.76Å; E672-R706 PolarHBondContact OE1-NH2 2.87Å
673	K	94.2	Very high	94.8	Very high	123 Å²	123	27.3 Å²	27.3	54%	0.535	14%	0.141	S	C	.	.	H	α-helix	trans	-91.2	-7.9	-178.9	-67.7	-69.1	-174	173.6	0	115.2	H669 A670 A671 F675	H669-K673 VanDerWaalsContact O-CB 3.3Å; H669-K673 WeakPolarHBondContact O-CB 3.19Å; H669-K673 WeakPolarHBondContact O-CG 3.15Å; H669-K673 PolarHBondContact O-N 3.48Å; A670-K673 PolarHBondContact O-N 2.59Å; A671-K673 VanDerWaalsContact C-N 3.34Å; K673-F675 HydrophobicContact CB-CD2 3.45Å; K673-F675 VanDerWaalsContact CB-CD2 3.45Å; K673-F675 HydrophobicContact CB-CE2 3.37Å; K673-F675 HydrophobicContact CB-CG 4.18Å; K673-F675 HydrophobicContact CB-CZ 4.04Å; K673-F675 HydrophobicContact CG-CD2 4.29Å; K673-F675 HydrophobicContact CG-CE2 3.9Å
674	N	94.6	Very high	94.8	Very high	78 Å²	78	33.7 Å²	33.7	42%	0.417	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	34.8	-174	-156.6	42.8	0	0	0	115.5	A670 L676 N708 I711	A670-N674 PolarHBondContact O-N 3.24Å; A670-N674 VanDerWaalsContact O-N 3.12Å; N674-L676 PolarHBondContact O-N 2.84Å; N674-N708 WeakPolarHBondContact CB-ND2 3.48Å; N674-N708 VanDerWaalsContact OD1-CB 3.29Å; N674-N708 WeakPolarHBondContact OD1-CB 3.19Å; N674-N708 PolarHBondContact OD1-OD1 2.76Å; N674-I711 WeakPolarHBondContact OD1-CD1 3.34Å
675	F	96.3	Very high	94.5	Very high	65 Å²	65	34.9 Å²	34.9	29%	0.285	18%	0.181	S	C	.	.			trans	-92.2	86.4	176.1	-59.7	-47.9	0	0	0	111.5	A638 G641 A670 K673 T678 V679	A638-F675 WeakPolarHBondContact O-CD2 3.29Å; G641-F675 VanDerWaalsContact CA-CD2 3.47Å; A670-F675 HydrophobicContact CB-CB 4.46Å; A670-F675 PolarHBondContact O-N 2.73Å; K673-F675 HydrophobicContact CB-CD2 3.45Å; K673-F675 VanDerWaalsContact CB-CD2 3.45Å; K673-F675 HydrophobicContact CB-CE2 3.37Å; K673-F675 HydrophobicContact CB-CG 4.18Å; K673-F675 HydrophobicContact CB-CZ 4.04Å; K673-F675 HydrophobicContact CG-CD2 4.29Å; K673-F675 HydrophobicContact CG-CE2 3.9Å; F675-T678 WeakPolarHBondContact CB-OG1 3.44Å; F675-T678 WeakPolarHBondContact O-CB 3.12Å; F675-T678 PolarHBondContact O-N 3.43Å; F675-V679 WeakPolarHBondContact O-CG2 3.28Å; F675-V679 PolarHBondContact O-N 2.77Å
676	L	95.9	Very high	94.1	Very high	74 Å²	74	36.1 Å²	36.1	39%	0.387	20%	0.195	S	C	.	.	H	α-helix	trans	-59.6	-49.3	-173.9	-177	65.1	0	0	0	113.4	N674 T678 V679 A680 D710 I711 L714	N674-L676 PolarHBondContact O-N 2.84Å; L676-T678 VanDerWaalsContact C-N 3.34Å; L676-T678 PolarHBondContact O-N 2.92Å; L676-V679 WeakPolarHBondContact O-CB 3.38Å; L676-V679 PolarHBondContact O-N 3.45Å; L676-A680 PolarHBondContact O-N 2.7Å; L676-D710 HydrophobicContact CD1-CB 4Å; L676-D710 HydrophobicContact CD2-CB 3.99Å; L676-I711 HydrophobicContact CB-CG1 4.3Å; L676-I711 HydrophobicContact CD1-CG1 3.72Å; L676-L714 HydrophobicContact CD1-CB 4.36Å; L676-L714 HydrophobicContact CD1-CD2 3.7Å
677	T	95.7	Very high	93.8	Very high	72 Å²	72	36.5 Å²	36.5	44%	0.442	20%	0.198	S	C	.	.	H	α-helix	trans	-59.8	-45	178.2	-45.2	0	0	0	0	111.5	D643 V679 A680 M681	D643-T677 HydrophobicContact CB-CG2 4.47Å; D643-T677 WeakPolarHBondContact OD2-CB 3.16Å; D643-T677 VanDerWaalsContact OD2-CG2 3.28Å; D643-T677 WeakPolarHBondContact OD2-CG2 3.36Å; T677-V679 VanDerWaalsContact C-N 3.33Å; T677-V679 PolarHBondContact O-N 3.07Å; T677-A680 WeakPolarHBondContact O-CB 3.29Å; T677-A680 PolarHBondContact O-N 3.12Å; T677-M681 HydrophobicContact CG2-SD 4.42Å; T677-M681 WeakPolarHBondContact O-CG 3.18Å; T677-M681 PolarHBondContact O-N 3.2Å
678	T	95.7	Very high	93.4	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-42.3	176.4	-48.1	0	0	0	0	111.4	A638 D643 L646 A670 F675 L676 L682	A638-T678 HydrophobicContact CB-CG2 3.93Å; D643-T678 WeakPolarHBondContact OD1-CA 3.25Å; D643-T678 WeakPolarHBondContact OD1-CB 3.24Å; D643-T678 PolarHBondContact OD1-N 3.04Å; D643-T678 VanDerWaalsContact OD1-N 3.1Å; D643-T678 PolarHBondContact OD1-OG1 3.47Å; L646-T678 HydrophobicContact CD2-CG2 3.57Å; A670-T678 HydrophobicContact CB-CG2 3.71Å; F675-T678 WeakPolarHBondContact CB-OG1 3.44Å; F675-T678 WeakPolarHBondContact O-CB 3.12Å; F675-T678 PolarHBondContact O-N 3.43Å; L676-T678 VanDerWaalsContact C-N 3.34Å; L676-T678 PolarHBondContact O-N 2.92Å; T678-L682 HydrophobicContact CG2-CD1 4.11Å; T678-L682 WeakPolarHBondContact O-CB 3.37Å; T678-L682 WeakPolarHBondContact O-CD1 3.34Å; T678-L682 WeakPolarHBondContact O-CG 3.2Å; T678-L682 PolarHBondContact O-N 3.01Å; T678-L682 VanDerWaalsContact O-N 3.08Å
679	V	96.3	Very high	93.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-49.5	172.9	168.2	0	0	0	0	110.8	L667 A670 A671 F675 L676 T677 M681 L682 L683 I711 L714 L715	L667-V679 HydrophobicContact CD1-CB 4.45Å; L667-V679 HydrophobicContact CD1-CG1 3.96Å; L667-V679 HydrophobicContact CD1-CG2 4.41Å; A670-V679 HydrophobicContact CB-CG2 3.59Å; A671-V679 HydrophobicContact CB-CG2 4.36Å; F675-V679 WeakPolarHBondContact O-CG2 3.28Å; F675-V679 PolarHBondContact O-N 2.77Å; L676-V679 WeakPolarHBondContact O-CB 3.38Å; L676-V679 PolarHBondContact O-N 3.45Å; T677-V679 VanDerWaalsContact C-N 3.33Å; T677-V679 PolarHBondContact O-N 3.07Å; V679-M681 PolarHBondContact O-N 3.43Å; V679-L682 PolarHBondContact O-N 3.03Å; V679-L683 HydrophobicContact CG1-CD1 3.58Å; V679-L683 HydrophobicContact CG1-CG 4.2Å; V679-L683 VanDerWaalsContact O-CG 3.22Å; V679-L683 WeakPolarHBondContact O-CG 3.45Å; V679-L683 PolarHBondContact O-N 3.3Å; V679-I711 HydrophobicContact CG1-CG2 4.34Å; V679-I711 HydrophobicContact CG2-CD1 4.05Å; V679-I711 HydrophobicContact CG2-CG1 4.4Å; V679-I711 HydrophobicContact CG2-CG2 4.17Å; V679-L714 HydrophobicContact CB-CD2 4.34Å; V679-L714 HydrophobicContact CG1-CD2 3.77Å; V679-L714 HydrophobicContact CG1-CG 4.41Å; V679-L715 HydrophobicContact CG1-CD2 4.27Å
680	A	94.8	Very high	92.8	Very high	24 Å²	24	41.2 Å²	41.2	20%	0.198	22%	0.216	C	C	.	.	H	α-helix	trans	-55.7	-50.4	-179.9	0	0	0	0	0	112.1	L676 T677 L682 L683 E684 L714	L676-A680 PolarHBondContact O-N 2.7Å; T677-A680 WeakPolarHBondContact O-CB 3.29Å; T677-A680 PolarHBondContact O-N 3.12Å; A680-L682 VanDerWaalsContact C-N 3.33Å; A680-L682 PolarHBondContact O-N 2.86Å; A680-L683 WeakPolarHBondContact O-CB 3.16Å; A680-L683 PolarHBondContact O-N 2.85Å; A680-L683 VanDerWaalsContact O-N 3.15Å; A680-E684 WeakPolarHBondContact O-CG 3.15Å; A680-E684 PolarHBondContact O-N 3.5Å; A680-L714 HydrophobicContact CB-CD2 3.89Å
681	M	94.3	Very high	92.5	Very high	12 Å²	12	42 Å²	42	6%	0.059	22%	0.223	C	C	.	.	H	α-helix	trans	-64.9	-34.5	179.3	-63	-178.1	-22.7	0	0	113.4	D643 L646 R647 T677 V679 L683 A685	D643-M681 HydrophobicContact CB-CE 3.88Å; D643-M681 HydrophobicContact CB-SD 4.21Å; D643-M681 WeakPolarHBondContact O-CE 3.43Å; L646-M681 HydrophobicContact CB-CE 3.97Å; L646-M681 HydrophobicContact CD2-CE 3.85Å; L646-M681 HydrophobicContact CG-CE 3.97Å; R647-M681 HydrophobicContact CG-CE 3.88Å; R647-M681 HydrophobicContact CG-SD 3.48Å; R647-M681 WeakPolarHBondContact CG-SD 3.4Å; R647-M681 PolarHBondContact NE-SD 2.53Å; T677-M681 HydrophobicContact CG2-SD 4.42Å; T677-M681 WeakPolarHBondContact O-CG 3.18Å; T677-M681 PolarHBondContact O-N 3.2Å; V679-M681 PolarHBondContact O-N 3.43Å; M681-L683 VanDerWaalsContact C-N 3.33Å; M681-A685 WeakPolarHBondContact O-CB 3.29Å; M681-A685 PolarHBondContact O-N 3.48Å
682	L	93.3	Very high	92.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.2	-37.3	175.1	-75.1	170.5	0	0	0	111.3	A638 L646 V656 A666 L667 A670 T678 V679 A680 G686 S687	A638-L682 HydrophobicContact CB-CD1 3.95Å; L646-L682 HydrophobicContact CD1-CD2 4.22Å; L646-L682 HydrophobicContact CD2-CD1 4.37Å; L646-L682 HydrophobicContact CD2-CD2 3.99Å; L646-L682 HydrophobicContact CD2-CG 3.96Å; V656-L682 HydrophobicContact CG1-CD2 3.74Å; A666-L682 HydrophobicContact CB-CD1 4.14Å; A666-L682 HydrophobicContact CB-CD2 4.04Å; L667-L682 HydrophobicContact CD1-CB 3.99Å; A670-L682 HydrophobicContact CB-CD1 4.04Å; T678-L682 HydrophobicContact CG2-CD1 4.11Å; T678-L682 WeakPolarHBondContact O-CB 3.37Å; T678-L682 WeakPolarHBondContact O-CD1 3.34Å; T678-L682 WeakPolarHBondContact O-CG 3.2Å; T678-L682 PolarHBondContact O-N 3.01Å; T678-L682 VanDerWaalsContact O-N 3.08Å; V679-L682 PolarHBondContact O-N 3.03Å; A680-L682 VanDerWaalsContact C-N 3.33Å; A680-L682 PolarHBondContact O-N 2.86Å; L682-G686 PolarHBondContact O-N 3.36Å; L682-S687 VanDerWaalsContact C-OG 3.26Å; L682-S687 WeakPolarHBondContact CB-OG 3.34Å; L682-S687 WeakPolarHBondContact O-CB 3.43Å; L682-S687 PolarHBondContact O-N 3.14Å; L682-S687 PolarHBondContact O-OG 2.87Å
683	L	91.1	Very high	92.2	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-69.9	-46.1	175.9	-66.7	169.9	0	0	0	111.7	L667 V679 A680 M681 A685 G686 V689 L714 L715 Y718	L667-L683 HydrophobicContact CD1-CD2 3.91Å; L667-L683 HydrophobicContact CD1-CG 3.95Å; L667-L683 HydrophobicContact CD2-CD2 3.95Å; V679-L683 HydrophobicContact CG1-CD1 3.58Å; V679-L683 HydrophobicContact CG1-CG 4.2Å; V679-L683 VanDerWaalsContact O-CG 3.22Å; V679-L683 WeakPolarHBondContact O-CG 3.45Å; V679-L683 PolarHBondContact O-N 3.3Å; A680-L683 WeakPolarHBondContact O-CB 3.16Å; A680-L683 PolarHBondContact O-N 2.85Å; A680-L683 VanDerWaalsContact O-N 3.15Å; M681-L683 VanDerWaalsContact C-N 3.33Å; L683-A685 VanDerWaalsContact C-N 3.26Å; L683-A685 PolarHBondContact O-N 3.38Å; L683-G686 PolarHBondContact O-N 2.86Å; L683-V689 HydrophobicContact CD2-CG2 3.39Å; L683-L714 HydrophobicContact CD1-CD1 4.45Å; L683-L714 HydrophobicContact CD1-CD2 4.17Å; L683-L714 HydrophobicContact CD1-CG 3.82Å; L683-L715 HydrophobicContact CD1-CD2 4.29Å; L683-L715 HydrophobicContact CD2-CD2 4.25Å; L683-Y718 HydrophobicContact CB-CD1 3.66Å; L683-Y718 HydrophobicContact CB-CD2 4.32Å; L683-Y718 HydrophobicContact CB-CE1 3.65Å; L683-Y718 HydrophobicContact CB-CE2 4.32Å; L683-Y718 HydrophobicContact CB-CG 3.98Å; L683-Y718 HydrophobicContact CD1-CD1 4.39Å; L683-Y718 HydrophobicContact CD1-CD2 3.81Å; L683-Y718 HydrophobicContact CD1-CE2 4.31Å; L683-Y718 HydrophobicContact CD1-CG 3.83Å; L683-Y718 HydrophobicContact CD2-CD1 4.31Å; L683-Y718 HydrophobicContact CD2-CG 4.22Å; L683-Y718 HydrophobicContact CG-CD1 4.33Å; L683-Y718 HydrophobicContact CG-CG 4.23Å
684	E	89.9	Confident	92	Very high	137 Å²	137	44.2 Å²	44.2	64%	0.64	24%	0.24	S	C	*	.	H	α-helix	trans	-55.8	-39.5	171.8	-72.6	171.4	178.1	0	0	112.1	A680 G686	A680-E684 WeakPolarHBondContact O-CG 3.15Å; A680-E684 PolarHBondContact O-N 3.5Å; E684-G686 PolarHBondContact O-N 2.95Å
685	A	88	Confident	91.9	Very high	37 Å²	37	41.9 Å²	41.9	31%	0.306	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	13.8	176.8	0	0	0	0	0	114.4	I650 V656 M681 L683	I650-A685 HydrophobicContact CD1-CB 3.92Å; I650-A685 HydrophobicContact CG1-CB 4.4Å; I650-A685 HydrophobicContact CG2-CB 4.01Å; V656-A685 HydrophobicContact CG1-CB 4.47Å; V656-A685 HydrophobicContact CG2-CB 3.96Å; M681-A685 WeakPolarHBondContact O-CB 3.29Å; M681-A685 PolarHBondContact O-N 3.48Å; L683-A685 VanDerWaalsContact C-N 3.26Å; L683-A685 PolarHBondContact O-N 3.38Å
686	G	85.4	Confident	91.6	Very high	31 Å²	31	39.2 Å²	39.2	32%	0.32	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	33.4	171.5	0	0	0	0	0	115.2	N657 L682 L683 E684	N657-G686 PolarHBondContact ND2-O 3.01Å; L682-G686 PolarHBondContact O-N 3.36Å; L683-G686 PolarHBondContact O-N 2.86Å; E684-G686 PolarHBondContact O-N 2.95Å
687	S	88.6	Confident	91.5	Very high	10 Å²	10	37.2 Å²	37.2	7%	0.07	21%	0.214	C	C	.	.			trans	-62	139.2	172.4	-70.6	0	0	0	0	112.7	V656 N657 L682 V689	V656-S687 WeakPolarHBondContact CG1-OG 3.41Å; N657-S687 WeakPolarHBondContact OD1-CA 3.49Å; L682-S687 VanDerWaalsContact C-OG 3.26Å; L682-S687 WeakPolarHBondContact CB-OG 3.34Å; L682-S687 WeakPolarHBondContact O-CB 3.43Å; L682-S687 PolarHBondContact O-N 3.14Å; L682-S687 PolarHBondContact O-OG 2.87Å; S687-V689 PolarHBondContact O-N 3.2Å
688	Y	88.3	Confident	91.4	Very high	114 Å²	114	33.9 Å²	33.9	45%	0.447	19%	0.193	S	C	.	.			trans	-71.7	104.6	167.1	-55	-36.3	0	0	0	109.8	N657 A691	N657-Y688 HydrophobicContact CB-CD2 3.79Å; N657-Y688 HydrophobicContact CB-CE2 3.68Å; N657-Y688 VanDerWaalsContact CG-CD2 3.45Å; N657-Y688 WeakPolarHBondContact OD1-CD2 3.12Å; N657-Y688 PolarHBondContact OD1-N 3.23Å; Y688-A691 WeakPolarHBondContact O-CB 3.29Å
689	V	89.6	Confident	91.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-41.2	-178.8	-168.8	0	0	0	0	111.1	L667 L683 S687 A691 L715 A720 E787	L667-V689 HydrophobicContact CD2-CB 4.43Å; L667-V689 HydrophobicContact CD2-CG1 4.49Å; L667-V689 HydrophobicContact CD2-CG2 4.4Å; L683-V689 HydrophobicContact CD2-CG2 3.39Å; S687-V689 PolarHBondContact O-N 3.2Å; V689-A691 VanDerWaalsContact C-N 3.28Å; V689-A691 PolarHBondContact O-N 3.46Å; V689-L715 HydrophobicContact CG1-CD2 3.82Å; V689-A720 HydrophobicContact CG1-CB 3.72Å; V689-E787 WeakPolarHBondContact CA-OE2 3.5Å; V689-E787 WeakPolarHBondContact CB-OE1 3.24Å; V689-E787 WeakPolarHBondContact CB-OE2 3.21Å; V689-E787 VanDerWaalsContact CG2-OE1 3.26Å; V689-E787 WeakPolarHBondContact CG2-OE1 3.36Å; V689-E787 PolarHBondContact N-OE2 3.23Å
690	N	89.4	Confident	91.4	Very high	24 Å²	24	33.9 Å²	33.9	13%	0.128	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	11.6	-176.9	-66.6	-29	0	0	0	113.2	G719 A720 D721 I724 L785 E787	N690-G719 PolarHBondContact ND2-O 2.86Å; N690-A720 WeakPolarHBondContact OD1-CA 3.43Å; N690-D721 PolarHBondContact OD1-N 2.82Å; N690-I724 HydrophobicContact CB-CD1 3.87Å; N690-L785 PolarHBondContact ND2-O 2.99Å; N690-E787 PolarHBondContact N-OE2 3.46Å
691	A	89.3	Confident	91.4	Very high	16 Å²	16	32.8 Å²	32.8	13%	0.132	18%	0.184	C	C	.	.			trans	-59	144.1	168.6	0	0	0	0	0	111.5	T665 M668 Y688 V689	T665-A691 HydrophobicContact CG2-CB 4.01Å; M668-A691 VanDerWaalsContact CE-C 3.48Å; M668-A691 HydrophobicContact CE-CB 4.04Å; M668-A691 WeakPolarHBondContact CE-O 3.46Å; Y688-A691 WeakPolarHBondContact O-CB 3.29Å; V689-A691 VanDerWaalsContact C-N 3.28Å; V689-A691 PolarHBondContact O-N 3.46Å
692	Q	91.4	Very high	91.4	Very high	74 Å²	74	33.3 Å²	33.3	35%	0.346	19%	0.186	S	C	.	.			trans	-115.3	147.1	177.8	-68.4	-170.3	-73.2	0	0	112.8	R659 G696 T698 I724 L725	R659-Q692 PolarHBondContact NH2-O 2.94Å; Q692-G696 VanDerWaalsContact NE2-CA 3.34Å; Q692-G696 PolarHBondContact NE2-O 3.03Å; Q692-T698 HydrophobicContact CG-CG2 3.87Å; Q692-I724 HydrophobicContact CG-CG2 4.1Å; Q692-L725 PolarHBondContact NE2-O 3.49Å; Q692-L725 VanDerWaalsContact NE2-O 3.13Å
693	T	93.8	Very high	91.5	Very high	17 Å²	17	33.3 Å²	33.3	10%	0.104	19%	0.186	C	C	.	.			trans	-72	170.9	161.1	58.6	0	0	0	0	111.7	T664 M668 G695 G696 E697	T664-T693 WeakPolarHBondContact OG1-CG2 3.29Å; M668-T693 HydrophobicContact CE-CG2 4.28Å; M668-T693 HydrophobicContact SD-CG2 3.58Å; M668-T693 VanDerWaalsContact SD-CG2 3.58Å; T693-G695 PolarHBondContact O-N 3.35Å; T693-G695 VanDerWaalsContact O-N 3.16Å; T693-G695 PolarHBondContact OG1-N 3.37Å; T693-G696 WeakPolarHBondContact O-CA 3.24Å; T693-G696 PolarHBondContact O-N 3.16Å; T693-G696 PolarHBondContact OG1-N 2.91Å; T693-E697 PolarHBondContact N-O 2.81Å; T693-E697 PolarHBondContact OG1-N 2.88Å; T693-E697 PolarHBondContact OG1-O 2.75Å
694	L	91.4	Very high	91.7	Very high	132 Å²	132	32.9 Å²	32.9	69%	0.691	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.6	167.9	-65	-177.8	0	0	0	113.5	K661 N662	K661-L694 WeakPolarHBondContact O-CD1 3.43Å; N662-L694 PolarHBondContact O-N 3.14Å
695	G	90.7	Very high	91.9	Very high	30 Å²	30	31.1 Å²	31.1	31%	0.309	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.2	169.5	0	0	0	0	0	113.9	T693 E697 K727	T693-G695 PolarHBondContact O-N 3.35Å; T693-G695 VanDerWaalsContact O-N 3.16Å; T693-G695 PolarHBondContact OG1-N 3.37Å; G695-E697 PolarHBondContact O-N 2.86Å; G695-K727 VanDerWaalsContact O-CB 3.27Å; G695-K727 WeakPolarHBondContact O-CB 3.23Å; G695-K727 PolarHBondContact O-N 2.96Å
696	G	90.8	Very high	92.2	Very high	9 Å²	9	36.1 Å²	36.1	9%	0.093	19%	0.185	C	C	.	.			trans	73.1	1.1	-173.5	0	0	0	0	0	114.9	Q692 T693	Q692-G696 VanDerWaalsContact NE2-CA 3.34Å; Q692-G696 PolarHBondContact NE2-O 3.03Å; T693-G696 WeakPolarHBondContact O-CA 3.24Å; T693-G696 PolarHBondContact O-N 3.16Å; T693-G696 PolarHBondContact OG1-N 2.91Å
697	E	93.3	Very high	92.5	Very high	32 Å²	32	35.2 Å²	35.2	15%	0.15	18%	0.175	C	C	.	.			trans	-66.6	131.2	173.5	-62.1	-170.7	152	0	0	110.3	T693 G695 K702 K705	T693-E697 PolarHBondContact N-O 2.81Å; T693-E697 PolarHBondContact OG1-N 2.88Å; T693-E697 PolarHBondContact OG1-O 2.75Å; G695-E697 PolarHBondContact O-N 2.86Å; E697-K702 WeakPolarHBondContact OE2-CE 3.2Å; E697-K702 IonicContact OE2-NZ 3.1Å; E697-K702 PolarHBondContact OE2-NZ 3.43Å; E697-K705 IonicContact OE1-NZ 3.16Å; E697-K705 PolarHBondContact OE1-NZ 2.96Å; E697-K705 IonicContact OE2-NZ 3.44Å
698	T	94.6	Very high	92.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	18%	0.177	C	C	.	.			trans	-99.3	170.8	171.8	63.1	0	0	0	0	111.8	Q692 L700 M701 K702 I724	Q692-T698 HydrophobicContact CG-CG2 3.87Å; T698-L700 VanDerWaalsContact C-N 3.27Å; T698-L700 PolarHBondContact O-N 3.33Å; T698-M701 PolarHBondContact O-N 3.1Å; T698-M701 VanDerWaalsContact O-N 3.15Å; T698-M701 WeakPolarHBondContact OG1-CG 3.13Å; T698-M701 PolarHBondContact OG1-N 3.36Å; T698-K702 WeakPolarHBondContact O-CG 3.39Å; T698-K702 PolarHBondContact O-N 2.83Å; T698-I724 HydrophobicContact CG2-CB 4.21Å; T698-I724 HydrophobicContact CG2-CD1 3.86Å; T698-I724 HydrophobicContact CG2-CG2 3.66Å
699	A	95.4	Very high	93.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-57.3	-39.1	173.1	0	0	0	0	0	112.7	L667 M668 A671 K702 A703 L715	L667-A699 HydrophobicContact CD2-CB 3.92Å; L667-A699 HydrophobicContact CG-CB 3.95Å; M668-A699 HydrophobicContact CG-CB 4.11Å; A671-A699 HydrophobicContact CB-CB 4.34Å; A699-K702 WeakPolarHBondContact O-CB 3.34Å; A699-K702 PolarHBondContact O-N 3.48Å; A699-A703 PolarHBondContact O-N 3.47Å; A699-L715 HydrophobicContact CB-CD1 4.3Å; A699-L715 HydrophobicContact CB-CD2 4.3Å
700	L	95.4	Very high	93.3	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-45.5	174.2	-178.3	67.1	0	0	0	111.6	T698 K702 A703 C704 V712 L715 L716 A720 A732	T698-L700 VanDerWaalsContact C-N 3.27Å; T698-L700 PolarHBondContact O-N 3.33Å; L700-K702 VanDerWaalsContact C-N 3.29Å; L700-K702 PolarHBondContact O-N 3.28Å; L700-A703 PolarHBondContact O-N 3.4Å; L700-C704 WeakPolarHBondContact O-CB 3.46Å; L700-C704 PolarHBondContact O-N 2.94Å; L700-C704 PolarHBondContact O-SG 3.29Å; L700-V712 HydrophobicContact CD1-CG1 4.13Å; L700-V712 HydrophobicContact CD1-CG2 4.42Å; L700-L715 HydrophobicContact CD1-CB 4.26Å; L700-L716 HydrophobicContact CD1-CD2 4.1Å; L700-L716 HydrophobicContact CD1-CG 4.23Å; L700-L716 HydrophobicContact CD2-CD2 4.03Å; L700-A720 HydrophobicContact CB-CB 3.97Å; L700-A720 HydrophobicContact CD1-CB 4.38Å; L700-A720 HydrophobicContact CD2-CB 3.85Å; L700-A720 HydrophobicContact CG-CB 4.28Å; L700-A732 HydrophobicContact CD2-CB 3.62Å; L700-A732 HydrophobicContact CG-CB 3.93Å
701	M	95.3	Very high	93.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-37.1	176.1	-66.5	178.6	-173.9	0	0	112.3	T698 K705 I724 A732 F735	T698-M701 PolarHBondContact O-N 3.1Å; T698-M701 VanDerWaalsContact O-N 3.15Å; T698-M701 WeakPolarHBondContact OG1-CG 3.13Å; T698-M701 PolarHBondContact OG1-N 3.36Å; M701-K705 WeakPolarHBondContact O-CB 3.47Å; M701-K705 PolarHBondContact O-N 3.15Å; M701-I724 HydrophobicContact CE-CB 4.25Å; M701-I724 HydrophobicContact CE-CG2 3.97Å; M701-I724 WeakPolarHBondContact CE-O 3.34Å; M701-A732 HydrophobicContact CG-CB 4.41Å; M701-F735 HydrophobicContact CB-CD2 3.85Å; M701-F735 HydrophobicContact CB-CE2 4.13Å; M701-F735 HydrophobicContact CG-CD2 3.79Å; M701-F735 HydrophobicContact CG-CE2 3.99Å; M701-F735 HydrophobicContact SD-CD2 4.14Å; M701-F735 HydrophobicContact SD-CE2 3.7Å
702	K	94.9	Very high	93.9	Very high	22 Å²	22	32.4 Å²	32.4	10%	0.096	17%	0.166	C	C	.	.	H	α-helix	trans	-61.8	-48.8	173.8	-65.2	-54.9	-158.2	167.6	0	112.1	M668 A671 E672 E697 T698 A699 L700 K705 R706	M668-K702 HydrophobicContact CB-CG 4.35Å; A671-K702 HydrophobicContact CB-CB 4.47Å; E672-K702 HydrophobicContact CB-CB 4.07Å; E672-K702 HydrophobicContact CB-CD 4.44Å; E672-K702 HydrophobicContact CB-CG 4.4Å; E672-K702 HydrophobicContact CG-CD 4.45Å; E672-K702 VanDerWaalsContact OE2-CD 3.25Å; E672-K702 WeakPolarHBondContact OE2-CD 3.21Å; E672-K702 WeakPolarHBondContact OE2-CE 3.23Å; E672-K702 IonicContact OE2-NZ 2.69Å; E672-K702 PolarHBondContact OE2-NZ 3.01Å; E697-K702 WeakPolarHBondContact OE2-CE 3.2Å; E697-K702 IonicContact OE2-NZ 3.1Å; E697-K702 PolarHBondContact OE2-NZ 3.43Å; T698-K702 WeakPolarHBondContact O-CG 3.39Å; T698-K702 PolarHBondContact O-N 2.83Å; A699-K702 WeakPolarHBondContact O-CB 3.34Å; A699-K702 PolarHBondContact O-N 3.48Å; L700-K702 VanDerWaalsContact C-N 3.29Å; L700-K702 PolarHBondContact O-N 3.28Å; K702-K705 PolarHBondContact O-N 2.84Å; K702-R706 WeakPolarHBondContact O-CG 3.46Å; K702-R706 PolarHBondContact O-N 3.16Å
703	A	95.6	Very high	94	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-44.4	179.1	0	0	0	0	0	111.7	A671 A699 L700 R706 G707 N708 I711 V712 L715	A671-A703 HydrophobicContact CB-CB 4.42Å; A699-A703 PolarHBondContact O-N 3.47Å; L700-A703 PolarHBondContact O-N 3.4Å; A703-R706 PolarHBondContact O-N 3.39Å; A703-G707 PolarHBondContact O-N 2.87Å; A703-G707 VanDerWaalsContact O-N 3.1Å; A703-N708 HydrophobicContact CB-CB 4.34Å; A703-N708 PolarHBondContact O-N 3.09Å; A703-N708 VanDerWaalsContact O-N 3.07Å; A703-I711 HydrophobicContact CB-CB 4.32Å; A703-I711 HydrophobicContact CB-CG2 3.67Å; A703-V712 HydrophobicContact CB-CG2 3.68Å; A703-L715 HydrophobicContact CB-CD1 3.99Å
704	C	95.4	Very high	93.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-49.7	176.3	-69.5	0	0	0	0	112.1	L700 R706 G707 F735 A736 S739 V744	L700-C704 WeakPolarHBondContact O-CB 3.46Å; L700-C704 PolarHBondContact O-N 2.94Å; L700-C704 PolarHBondContact O-SG 3.29Å; C704-R706 PolarHBondContact O-N 2.95Å; C704-G707 PolarHBondContact O-N 2.86Å; C704-F735 HydrophobicContact CB-CB 4.02Å; C704-A736 HydrophobicContact CB-CB 4.32Å; C704-S739 WeakPolarHBondContact O-CB 2.93Å; C704-V744 HydrophobicContact CB-CG1 4.06Å
705	K	93.6	Very high	93.9	Very high	101 Å²	101	27.1 Å²	27.1	44%	0.439	13%	0.134	S	C	.	.	H	α-helix	trans	-59.2	-18.6	178.2	-171.1	179.1	-170.7	177.7	0	113.9	E697 M701 K702 F735	E697-K705 IonicContact OE1-NZ 3.16Å; E697-K705 PolarHBondContact OE1-NZ 2.96Å; E697-K705 IonicContact OE2-NZ 3.44Å; M701-K705 WeakPolarHBondContact O-CB 3.47Å; M701-K705 PolarHBondContact O-N 3.15Å; K702-K705 PolarHBondContact O-N 2.84Å; K705-F735 HydrophobicContact CB-CB 4.23Å; K705-F735 HydrophobicContact CB-CD1 4.25Å; K705-F735 HydrophobicContact CD-CD1 4.19Å; K705-F735 HydrophobicContact CD-CE1 4.43Å; K705-F735 HydrophobicContact CG-CD1 4.22Å
706	R	93.4	Very high	93.9	Very high	142 Å²	142	26.1 Å²	26.1	54%	0.536	12%	0.122	S	C	.	.	H	α-helix	trans	-99.5	-15.1	176.5	-67	-72.8	178	-159.9	-1.6	113.7	E672 K702 A703 C704 N708	E672-R706 HydrophobicContact CG-CG 4.11Å; E672-R706 WeakPolarHBondContact O-CG 3.31Å; E672-R706 PolarHBondContact O-NE 3.31Å; E672-R706 IonicContact OE1-CZ 3.79Å; E672-R706 IonicContact OE1-NE 3.2Å; E672-R706 IonicContact OE1-NH2 2.76Å; E672-R706 PolarHBondContact OE1-NH2 2.87Å; K702-R706 WeakPolarHBondContact O-CG 3.46Å; K702-R706 PolarHBondContact O-N 3.16Å; A703-R706 PolarHBondContact O-N 3.39Å; C704-R706 PolarHBondContact O-N 2.95Å; R706-N708 WeakPolarHBondContact CB-ND2 3.39Å; R706-N708 WeakPolarHBondContact CB-OD1 3.35Å
707	G	93.3	Very high	93.7	Very high	11 Å²	11	30.7 Å²	30.7	11%	0.113	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	18.6	-174.7	0	0	0	0	0	114.2	A703 C704 A709 N741	A703-G707 PolarHBondContact O-N 2.87Å; A703-G707 VanDerWaalsContact O-N 3.1Å; C704-G707 PolarHBondContact O-N 2.86Å; G707-A709 PolarHBondContact O-N 2.72Å; G707-N741 PolarHBondContact O-ND2 3.02Å
708	N	93.8	Very high	93.3	Very high	18 Å²	18	32.1 Å²	32.1	10%	0.096	15%	0.145	C	C	.	.			trans	-79.1	73.9	-170.1	-66.1	-9.6	0	0	0	112	A671 N674 A703 R706 D710 I711 V712	A671-N708 PolarHBondContact O-ND2 3.32Å; N674-N708 WeakPolarHBondContact CB-ND2 3.48Å; N674-N708 VanDerWaalsContact OD1-CB 3.29Å; N674-N708 WeakPolarHBondContact OD1-CB 3.19Å; N674-N708 PolarHBondContact OD1-OD1 2.76Å; A703-N708 HydrophobicContact CB-CB 4.34Å; A703-N708 PolarHBondContact O-N 3.09Å; A703-N708 VanDerWaalsContact O-N 3.07Å; R706-N708 WeakPolarHBondContact CB-ND2 3.39Å; R706-N708 WeakPolarHBondContact CB-OD1 3.35Å; N708-D710 VanDerWaalsContact C-N 3.34Å; N708-D710 PolarHBondContact O-N 2.96Å; N708-I711 HydrophobicContact CB-CB 4.19Å; N708-I711 PolarHBondContact O-N 3.37Å; N708-I711 VanDerWaalsContact O-N 3.16Å; N708-V712 WeakPolarHBondContact O-CG2 3.45Å; N708-V712 PolarHBondContact O-N 3.09Å
709	A	94.3	Very high	92.7	Very high	9 Å²	9	32.1 Å²	32.1	7%	0.074	15%	0.145	C	C	.	.	H	α-helix	trans	-55.9	-38.7	-170.5	0	0	0	0	0	115.2	G707 V712 R713 V744 L747	G707-A709 PolarHBondContact O-N 2.72Å; A709-V712 PolarHBondContact O-N 3.31Å; A709-R713 PolarHBondContact O-N 2.98Å; A709-V744 HydrophobicContact CB-CG2 3.95Å; A709-L747 HydrophobicContact CB-CD1 4.26Å
710	D	94.6	Very high	92.3	Very high	79 Å²	79	32 Å²	32	42%	0.422	14%	0.144	S	C	.	.	H	α-helix	trans	-67.6	-39.9	178.9	-57.1	-76.6	0	0	0	112.6	L676 N708 R713 L714	L676-D710 HydrophobicContact CD1-CB 4Å; L676-D710 HydrophobicContact CD2-CB 3.99Å; N708-D710 VanDerWaalsContact C-N 3.34Å; N708-D710 PolarHBondContact O-N 2.96Å; D710-R713 PolarHBondContact O-N 3.11Å; D710-R713 IonicContact OD1-CZ 2.74Å; D710-R713 IonicContact OD1-NE 2.65Å; D710-R713 IonicContact OD1-NH2 3.52Å; D710-R713 PolarHBondContact OD1-NH2 2.85Å; D710-R713 IonicContact OD2-NH2 2.69Å; D710-L714 WeakPolarHBondContact O-CB 3.45Å; D710-L714 PolarHBondContact O-N 2.99Å
711	I	95.6	Very high	91.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-71.4	-34.2	174.4	-67.9	179.5	0	0	0	110.6	A671 N674 L676 V679 A703 N708 L714 L715	A671-I711 HydrophobicContact CB-CG2 4.01Å; N674-I711 WeakPolarHBondContact OD1-CD1 3.34Å; L676-I711 HydrophobicContact CB-CG1 4.3Å; L676-I711 HydrophobicContact CD1-CG1 3.72Å; V679-I711 HydrophobicContact CG1-CG2 4.34Å; V679-I711 HydrophobicContact CG2-CD1 4.05Å; V679-I711 HydrophobicContact CG2-CG1 4.4Å; V679-I711 HydrophobicContact CG2-CG2 4.17Å; A703-I711 HydrophobicContact CB-CB 4.32Å; A703-I711 HydrophobicContact CB-CG2 3.67Å; N708-I711 HydrophobicContact CB-CB 4.19Å; N708-I711 PolarHBondContact O-N 3.37Å; N708-I711 VanDerWaalsContact O-N 3.16Å; I711-L714 PolarHBondContact O-N 2.58Å; I711-L715 HydrophobicContact CG2-CD1 3.62Å; I711-L715 HydrophobicContact CG2-CG 4.07Å; I711-L715 VanDerWaalsContact O-CB 3.29Å; I711-L715 WeakPolarHBondContact O-CB 3.4Å; I711-L715 WeakPolarHBondContact O-CG 3.42Å; I711-L715 PolarHBondContact O-N 3.47Å
712	V	95.2	Very high	91.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-47.2	173.5	169.8	0	0	0	0	110.5	L700 A703 N708 A709 L714 L715 L716 V744 L747 V748	L700-V712 HydrophobicContact CD1-CG1 4.13Å; L700-V712 HydrophobicContact CD1-CG2 4.42Å; A703-V712 HydrophobicContact CB-CG2 3.68Å; N708-V712 WeakPolarHBondContact O-CG2 3.45Å; N708-V712 PolarHBondContact O-N 3.09Å; A709-V712 PolarHBondContact O-N 3.31Å; V712-L714 PolarHBondContact O-N 3.24Å; V712-L715 PolarHBondContact O-N 3.41Å; V712-L716 HydrophobicContact CG1-CD1 3.73Å; V712-L716 HydrophobicContact CG1-CG 4.42Å; V712-L716 WeakPolarHBondContact O-CD1 3.45Å; V712-L716 WeakPolarHBondContact O-CG 3.23Å; V712-L716 PolarHBondContact O-N 3.48Å; V712-V744 HydrophobicContact CG1-CG1 4.36Å; V712-V744 HydrophobicContact CG2-CG1 4.01Å; V712-L747 HydrophobicContact CG1-CB 4.39Å; V712-V748 HydrophobicContact CG1-CG2 4.06Å
713	R	93.1	Very high	91	Very high	89 Å²	89	33.2 Å²	33.2	34%	0.336	15%	0.152	S	C	.	.	H	α-helix	trans	-51.6	-57.5	171	-82.2	-174.4	-81.3	-98.1	4.5	111.5	A709 D710 L715 L716 E717 L747	A709-R713 PolarHBondContact O-N 2.98Å; D710-R713 PolarHBondContact O-N 3.11Å; D710-R713 IonicContact OD1-CZ 2.74Å; D710-R713 IonicContact OD1-NE 2.65Å; D710-R713 IonicContact OD1-NH2 3.52Å; D710-R713 PolarHBondContact OD1-NH2 2.85Å; D710-R713 IonicContact OD2-NH2 2.69Å; R713-L715 VanDerWaalsContact C-N 3.32Å; R713-L715 PolarHBondContact O-N 2.93Å; R713-L716 PolarHBondContact O-N 3.28Å; R713-E717 WeakPolarHBondContact O-CG 3.11Å; R713-E717 PolarHBondContact O-N 3.36Å; R713-L747 HydrophobicContact CG-CD1 3.81Å; R713-L747 HydrophobicContact CG-CD2 3.72Å; R713-L747 HydrophobicContact CG-CG 4.43Å
714	L	92.7	Very high	90.5	Very high	24 Å²	24	34 Å²	34	13%	0.126	16%	0.156	C	C	.	.	H	α-helix	trans	-60.6	-37.5	-176.6	-176.6	63.3	0	0	0	112.9	L676 V679 A680 L683 D710 I711 V712 Y718	L676-L714 HydrophobicContact CD1-CB 4.36Å; L676-L714 HydrophobicContact CD1-CD2 3.7Å; V679-L714 HydrophobicContact CB-CD2 4.34Å; V679-L714 HydrophobicContact CG1-CD2 3.77Å; V679-L714 HydrophobicContact CG1-CG 4.41Å; A680-L714 HydrophobicContact CB-CD2 3.89Å; L683-L714 HydrophobicContact CD1-CD1 4.45Å; L683-L714 HydrophobicContact CD1-CD2 4.17Å; L683-L714 HydrophobicContact CD1-CG 3.82Å; D710-L714 WeakPolarHBondContact O-CB 3.45Å; D710-L714 PolarHBondContact O-N 2.99Å; I711-L714 PolarHBondContact O-N 2.58Å; V712-L714 PolarHBondContact O-N 3.24Å; L714-Y718 HydrophobicContact CD1-CD2 3.85Å; L714-Y718 HydrophobicContact CD1-CE2 3.73Å; L714-Y718 HydrophobicContact CG-CD2 4.43Å; L714-Y718 WeakPolarHBondContact O-CB 3.14Å; L714-Y718 WeakPolarHBondContact O-CD2 3.14Å; L714-Y718 PolarHBondContact O-N 3.02Å
715	L	91.9	Very high	90.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.3	-32.6	175.3	-70.4	170	0	0	0	112.3	L667 A671 V679 L683 V689 A699 L700 A703 I711 V712 R713 Y718 G719 A720	L667-L715 HydrophobicContact CD1-CD2 4.36Å; L667-L715 HydrophobicContact CD2-CD2 4.21Å; L667-L715 HydrophobicContact CG-CD2 4.46Å; A671-L715 HydrophobicContact CB-CD1 4.39Å; V679-L715 HydrophobicContact CG1-CD2 4.27Å; L683-L715 HydrophobicContact CD1-CD2 4.29Å; L683-L715 HydrophobicContact CD2-CD2 4.25Å; V689-L715 HydrophobicContact CG1-CD2 3.82Å; A699-L715 HydrophobicContact CB-CD1 4.3Å; A699-L715 HydrophobicContact CB-CD2 4.3Å; L700-L715 HydrophobicContact CD1-CB 4.26Å; A703-L715 HydrophobicContact CB-CD1 3.99Å; I711-L715 HydrophobicContact CG2-CD1 3.62Å; I711-L715 HydrophobicContact CG2-CG 4.07Å; I711-L715 VanDerWaalsContact O-CB 3.29Å; I711-L715 WeakPolarHBondContact O-CB 3.4Å; I711-L715 WeakPolarHBondContact O-CG 3.42Å; I711-L715 PolarHBondContact O-N 3.47Å; V712-L715 PolarHBondContact O-N 3.41Å; R713-L715 VanDerWaalsContact C-N 3.32Å; R713-L715 PolarHBondContact O-N 2.93Å; L715-Y718 CarbonylContact O-C 3.52Å; L715-Y718 PolarHBondContact O-N 3.5Å; L715-G719 PolarHBondContact O-N 3.39Å; L715-A720 HydrophobicContact CB-CB 4.13Å; L715-A720 WeakPolarHBondContact O-CB 3.48Å; L715-A720 PolarHBondContact O-N 3.44Å
716	L	89.6	Confident	89.9	Confident	9 Å²	9	33.3 Å²	33.3	5%	0.047	16%	0.157	C	C	.	.	H	α-helix	trans	-75.1	-39.2	175.8	-63.6	167.1	0	0	0	111.6	L700 V712 R713 Y718 G719 C722 L747 V748 H751	L700-L716 HydrophobicContact CD1-CD2 4.1Å; L700-L716 HydrophobicContact CD1-CG 4.23Å; L700-L716 HydrophobicContact CD2-CD2 4.03Å; V712-L716 HydrophobicContact CG1-CD1 3.73Å; V712-L716 HydrophobicContact CG1-CG 4.42Å; V712-L716 WeakPolarHBondContact O-CD1 3.45Å; V712-L716 WeakPolarHBondContact O-CG 3.23Å; V712-L716 PolarHBondContact O-N 3.48Å; R713-L716 PolarHBondContact O-N 3.28Å; L716-Y718 VanDerWaalsContact C-N 3.26Å; L716-Y718 PolarHBondContact O-N 2.94Å; L716-G719 WeakPolarHBondContact O-CA 3.29Å; L716-G719 PolarHBondContact O-N 2.84Å; L716-C722 WeakPolarHBondContact CD2-SG 3.32Å; L716-L747 HydrophobicContact CD1-CB 4.45Å; L716-V748 HydrophobicContact CD1-CG2 4.46Å; L716-H751 HydrophobicContact CD1-CB 4.13Å; L716-H751 HydrophobicContact CD2-CB 4.18Å; L716-H751 PolarHBondContact O-NE2 2.8Å
717	E	86.6	Confident	89.8	Confident	104 Å²	104	34.3 Å²	34.3	49%	0.486	17%	0.165	S	C	.	.	H	α-helix	trans	-60	-36.8	168.7	-70.1	159.4	-156.4	0	0	111.5	R713 G719 F821	R713-E717 WeakPolarHBondContact O-CG 3.11Å; R713-E717 PolarHBondContact O-N 3.36Å; E717-G719 PolarHBondContact O-N 3.1Å; E717-F821 WeakPolarHBondContact O-CB 3.49Å
718	Y	84.4	Confident	89.5	Confident	63 Å²	63	40.7 Å²	40.7	25%	0.247	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	33.7	166.5	-76.8	-102.4	0	0	0	112.7	L683 L714 L715 L716 A720 K880	L683-Y718 HydrophobicContact CB-CD1 3.66Å; L683-Y718 HydrophobicContact CB-CD2 4.32Å; L683-Y718 HydrophobicContact CB-CE1 3.65Å; L683-Y718 HydrophobicContact CB-CE2 4.32Å; L683-Y718 HydrophobicContact CB-CG 3.98Å; L683-Y718 HydrophobicContact CD1-CD1 4.39Å; L683-Y718 HydrophobicContact CD1-CD2 3.81Å; L683-Y718 HydrophobicContact CD1-CE2 4.31Å; L683-Y718 HydrophobicContact CD1-CG 3.83Å; L683-Y718 HydrophobicContact CD2-CD1 4.31Å; L683-Y718 HydrophobicContact CD2-CG 4.22Å; L683-Y718 HydrophobicContact CG-CD1 4.33Å; L683-Y718 HydrophobicContact CG-CG 4.23Å; L714-Y718 HydrophobicContact CD1-CD2 3.85Å; L714-Y718 HydrophobicContact CD1-CE2 3.73Å; L714-Y718 HydrophobicContact CG-CD2 4.43Å; L714-Y718 WeakPolarHBondContact O-CB 3.14Å; L714-Y718 WeakPolarHBondContact O-CD2 3.14Å; L714-Y718 PolarHBondContact O-N 3.02Å; L715-Y718 CarbonylContact O-C 3.52Å; L715-Y718 PolarHBondContact O-N 3.5Å; L716-Y718 VanDerWaalsContact C-N 3.26Å; L716-Y718 PolarHBondContact O-N 2.94Å; Y718-A720 PolarHBondContact O-N 2.61Å; Y718-K880 PolarHBondContact O-NZ 2.87Å
719	G	82.6	Confident	89.2	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	40.3	162.7	0	0	0	0	0	116.6	N690 L715 L716 E717 L785	N690-G719 PolarHBondContact ND2-O 2.86Å; L715-G719 PolarHBondContact O-N 3.39Å; L716-G719 WeakPolarHBondContact O-CA 3.29Å; L716-G719 PolarHBondContact O-N 2.84Å; E717-G719 PolarHBondContact O-N 3.1Å; G719-L785 WeakPolarHBondContact O-CB 3.37Å; G719-L785 WeakPolarHBondContact O-CD1 3.49Å
720	A	88.1	Confident	89	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.228	C	C	.	.			trans	-68.3	128.4	172.8	0	0	0	0	0	112.3	V689 N690 L700 L715 Y718 C722	V689-A720 HydrophobicContact CG1-CB 3.72Å; N690-A720 WeakPolarHBondContact OD1-CA 3.43Å; L700-A720 HydrophobicContact CB-CB 3.97Å; L700-A720 HydrophobicContact CD1-CB 4.38Å; L700-A720 HydrophobicContact CD2-CB 3.85Å; L700-A720 HydrophobicContact CG-CB 4.28Å; L715-A720 HydrophobicContact CB-CB 4.13Å; L715-A720 WeakPolarHBondContact O-CB 3.48Å; L715-A720 PolarHBondContact O-N 3.44Å; Y718-A720 PolarHBondContact O-N 2.61Å; A720-C722 PolarHBondContact O-N 3.32Å
721	D	85.5	Confident	88.8	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.032	22%	0.22	C	C	.	.			trans	-77.1	111.5	178.7	-178.2	-4.9	0	0	0	110.9	N690 N723 I724 R784 L785	N690-D721 PolarHBondContact OD1-N 2.82Å; D721-N723 VanDerWaalsContact C-N 3.29Å; D721-N723 PolarHBondContact O-N 3.14Å; D721-N723 WeakPolarHBondContact OD1-CA 3.42Å; D721-N723 VanDerWaalsContact OD1-CB 3.26Å; D721-N723 WeakPolarHBondContact OD1-CB 3.47Å; D721-N723 PolarHBondContact OD1-N 2.83Å; D721-I724 HydrophobicContact CB-CD1 3.78Å; D721-I724 HydrophobicContact CB-CG1 3.86Å; D721-R784 WeakPolarHBondContact OD2-CA 3.49Å; D721-R784 WeakPolarHBondContact OD2-CB 3.41Å; D721-R784 WeakPolarHBondContact OD2-CD 3.35Å; D721-R784 VanDerWaalsContact OD2-CG 3.27Å; D721-R784 WeakPolarHBondContact OD2-CG 3.15Å; D721-R784 IonicContact OD2-NE 2.65Å; D721-L785 HydrophobicContact CB-CB 4.3Å
722	C	87.8	Confident	88.6	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.007	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-20	179.2	-61	0	0	0	0	113.4	L716 A720 V748 I752	L716-C722 WeakPolarHBondContact CD2-SG 3.32Å; A720-C722 PolarHBondContact O-N 3.32Å; C722-V748 HydrophobicContact CB-CG1 4.37Å; C722-I752 HydrophobicContact CB-CD1 3.83Å; C722-I752 HydrophobicContact CB-CG1 3.7Å
723	N	83.8	Confident	88.4	Confident	42 Å²	42	49.6 Å²	49.6	23%	0.225	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.6	-176.7	-56.4	-57.5	0	0	0	112.9	D721 H783 R784	D721-N723 VanDerWaalsContact C-N 3.29Å; D721-N723 PolarHBondContact O-N 3.14Å; D721-N723 WeakPolarHBondContact OD1-CA 3.42Å; D721-N723 VanDerWaalsContact OD1-CB 3.26Å; D721-N723 WeakPolarHBondContact OD1-CB 3.47Å; D721-N723 PolarHBondContact OD1-N 2.83Å; N723-H783 PolarHBondContact ND2-O 3.27Å; N723-R784 PolarHBondContact O-NH2 3.19Å
724	I	85.1	Confident	88.4	Confident	16 Å²	16	50 Å²	50	8%	0.082	23%	0.234	C	C	.	.			trans	-66.1	139.4	167.1	-68.9	174.6	0	0	0	109.2	N690 Q692 T698 M701 D721	N690-I724 HydrophobicContact CB-CD1 3.87Å; Q692-I724 HydrophobicContact CG-CG2 4.1Å; T698-I724 HydrophobicContact CG2-CB 4.21Å; T698-I724 HydrophobicContact CG2-CD1 3.86Å; T698-I724 HydrophobicContact CG2-CG2 3.66Å; M701-I724 HydrophobicContact CE-CB 4.25Å; M701-I724 HydrophobicContact CE-CG2 3.97Å; M701-I724 WeakPolarHBondContact CE-O 3.34Å; D721-I724 HydrophobicContact CB-CD1 3.78Å; D721-I724 HydrophobicContact CB-CG1 3.86Å
725	L	87.8	Confident	88.3	Confident	80 Å²	80	50 Å²	50	42%	0.419	23%	0.232	S	C	.	.			trans	-106.3	131.9	177.4	-60.7	-179.3	0	0	0	110.5	Q692 T731	Q692-L725 PolarHBondContact NE2-O 3.49Å; Q692-L725 VanDerWaalsContact NE2-O 3.13Å; L725-T731 HydrophobicContact CD2-CG2 3.53Å
726	S	89.9	Confident	88.3	Confident	7 Å²	7	50 Å²	50	5%	0.049	23%	0.232	C	C	.	.			trans	-68.8	169.3	164.3	60.4	0	0	0	0	111.5	H728 K729 N730	S726-H728 PolarHBondContact O-N 2.96Å; S726-K729 WeakPolarHBondContact O-CA 3.34Å; S726-K729 PolarHBondContact O-N 3.06Å; S726-N730 PolarHBondContact N-O 3.07Å; S726-N730 WeakPolarHBondContact OG-CB 3.38Å; S726-N730 PolarHBondContact OG-N 3.16Å; S726-N730 PolarHBondContact OG-O 3.45Å
727	K	90.3	Very high	88.3	Confident	162 Å²	162	54 Å²	54	70%	0.704	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.8	176.4	-177.1	173.9	-179.9	177.2	0	113.7	G695	G695-K727 VanDerWaalsContact O-CB 3.27Å; G695-K727 WeakPolarHBondContact O-CB 3.23Å; G695-K727 PolarHBondContact O-N 2.96Å
728	H	87.6	Confident	88.3	Confident	145 Å²	145	56 Å²	56	67%	0.671	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	11	177.5	-60.9	-77	0	0	0	113.7	S726 N730	S726-H728 PolarHBondContact O-N 2.96Å; H728-N730 PolarHBondContact O-N 2.9Å
729	K	87.9	Confident	88.4	Confident	172 Å²	172	53.6 Å²	53.6	75%	0.748	25%	0.254	S	S	*	.	S	Bend	trans	63	18.3	-174.6	-54.9	-178.8	-179.4	178.7	0	114.8	S726	S726-K729 WeakPolarHBondContact O-CA 3.34Å; S726-K729 PolarHBondContact O-N 3.06Å
730	N	90	Very high	88.3	Confident	36 Å²	36	62.1 Å²	62.1	19%	0.193	30%	0.299	C	S	.	.			trans	-86.8	132.4	175.2	-62.4	-21.5	0	0	0	110.7	S726 H728 Y734 F735	S726-N730 PolarHBondContact N-O 3.07Å; S726-N730 WeakPolarHBondContact OG-CB 3.38Å; S726-N730 PolarHBondContact OG-N 3.16Å; S726-N730 PolarHBondContact OG-O 3.45Å; H728-N730 PolarHBondContact O-N 2.9Å; N730-Y734 HydrophobicContact CB-CD1 3.65Å; N730-Y734 HydrophobicContact CB-CD2 4.18Å; N730-Y734 HydrophobicContact CB-CE1 4.21Å; N730-Y734 HydrophobicContact CB-CG 3.65Å; N730-Y734 VanDerWaalsContact ND2-CE1 3.25Å; N730-Y734 WeakPolarHBondContact ND2-CE1 3.35Å; N730-Y734 WeakPolarHBondContact OD1-CD2 3.45Å; N730-Y734 WeakPolarHBondContact OD1-CE2 2.93Å; N730-F735 HydrophobicContact CB-CE2 3.95Å; N730-F735 HydrophobicContact CB-CZ 4.08Å
731	T	90.4	Very high	88.4	Confident	42 Å²	42	64.3 Å²	64.3	26%	0.258	31%	0.311	S	S	.	.			trans	-84.2	174.1	174.9	54.2	0	0	0	0	112.3	L725 L733 Y734 F735	L725-T731 HydrophobicContact CD2-CG2 3.53Å; T731-L733 PolarHBondContact O-N 3.45Å; T731-Y734 WeakPolarHBondContact O-CB 3.46Å; T731-Y734 PolarHBondContact O-N 2.99Å; T731-Y734 PolarHBondContact OG1-N 3.42Å; T731-F735 WeakPolarHBondContact O-CD2 3.14Å; T731-F735 PolarHBondContact O-N 3.14Å
732	A	90	Very high	88.6	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57	-37.8	170.2	0	0	0	0	0	112.8	L700 M701 Y734 F735 A736	L700-A732 HydrophobicContact CD2-CB 3.62Å; L700-A732 HydrophobicContact CG-CB 3.93Å; M701-A732 HydrophobicContact CG-CB 4.41Å; A732-Y734 VanDerWaalsContact C-N 3.35Å; A732-Y734 PolarHBondContact O-N 2.67Å; A732-F735 PolarHBondContact O-N 2.88Å; A732-A736 PolarHBondContact O-N 2.95Å
733	L	91.5	Very high	88.8	Confident	44 Å²	44	75.7 Å²	75.7	23%	0.23	37%	0.369	C	S	.	.	H	α-helix	trans	-65.1	-34.1	177.6	-177.5	60.5	0	0	0	112.8	T731 A736 N737 V748 K749	T731-L733 PolarHBondContact O-N 3.45Å; L733-A736 WeakPolarHBondContact O-CB 3.42Å; L733-A736 PolarHBondContact O-N 3.16Å; L733-N737 VanDerWaalsContact O-CG 3.26Å; L733-N737 PolarHBondContact O-N 3.41Å; L733-N737 PolarHBondContact O-ND2 2.95Å; L733-V748 HydrophobicContact CB-CG1 3.95Å; L733-V748 HydrophobicContact CD1-CB 4.46Å; L733-V748 HydrophobicContact CD1-CG1 4.22Å; L733-K749 HydrophobicContact CD1-CG 4Å; L733-K749 HydrophobicContact CD2-CG 4.47Å
734	Y	91.9	Very high	89.2	Confident	97 Å²	97	73.7 Å²	73.7	38%	0.38	36%	0.358	S	S	.	.	H	α-helix	trans	-59.2	-50.7	171.7	178.2	-78.5	0	0	0	110.4	N730 T731 A732 A736 N737 F738	N730-Y734 HydrophobicContact CB-CD1 3.65Å; N730-Y734 HydrophobicContact CB-CD2 4.18Å; N730-Y734 HydrophobicContact CB-CE1 4.21Å; N730-Y734 HydrophobicContact CB-CG 3.65Å; N730-Y734 VanDerWaalsContact ND2-CE1 3.25Å; N730-Y734 WeakPolarHBondContact ND2-CE1 3.35Å; N730-Y734 WeakPolarHBondContact OD1-CD2 3.45Å; N730-Y734 WeakPolarHBondContact OD1-CE2 2.93Å; T731-Y734 WeakPolarHBondContact O-CB 3.46Å; T731-Y734 PolarHBondContact O-N 2.99Å; T731-Y734 PolarHBondContact OG1-N 3.42Å; A732-Y734 VanDerWaalsContact C-N 3.35Å; A732-Y734 PolarHBondContact O-N 2.67Å; Y734-A736 VanDerWaalsContact C-N 3.27Å; Y734-A736 PolarHBondContact O-N 2.89Å; Y734-N737 PolarHBondContact O-N 3.39Å; Y734-F738 AromaticContact CD1-CD2 3.87Å; Y734-F738 HydrophobicContact CD1-CD2 3.87Å; Y734-F738 HydrophobicContact CD1-CE2 4.11Å; Y734-F738 HydrophobicContact CD2-CE2 4.03Å; Y734-F738 AromaticContact CE1-CD2 3.55Å; Y734-F738 HydrophobicContact CE1-CD2 3.55Å; Y734-F738 AromaticContact CE1-CE2 3.64Å; Y734-F738 HydrophobicContact CE1-CE2 3.64Å; Y734-F738 HydrophobicContact CE2-CD2 4.31Å; Y734-F738 AromaticContact CE2-CE2 3.59Å; Y734-F738 HydrophobicContact CE2-CE2 3.59Å; Y734-F738 HydrophobicContact CE2-CZ 4.47Å; Y734-F738 HydrophobicContact CG-CD2 4.34Å; Y734-F738 HydrophobicContact CG-CE2 4.27Å; Y734-F738 AromaticContact CZ-CD2 3.81Å; Y734-F738 AromaticContact CZ-CE2 3.36Å; Y734-F738 VanDerWaalsContact O-CD2 3.28Å; Y734-F738 WeakPolarHBondContact O-CD2 3.38Å; Y734-F738 PolarHBondContact O-N 3.3Å
735	F	90.9	Very high	89.5	Confident	23 Å²	23	73.1 Å²	73.1	10%	0.101	36%	0.356	C	S	.	.	H	α-helix	trans	-66	-30.1	-180	-66	-72.2	0	0	0	112.9	M701 C704 K705 N730 T731 A732 S739	M701-F735 HydrophobicContact CB-CD2 3.85Å; M701-F735 HydrophobicContact CB-CE2 4.13Å; M701-F735 HydrophobicContact CG-CD2 3.79Å; M701-F735 HydrophobicContact CG-CE2 3.99Å; M701-F735 HydrophobicContact SD-CD2 4.14Å; M701-F735 HydrophobicContact SD-CE2 3.7Å; C704-F735 HydrophobicContact CB-CB 4.02Å; K705-F735 HydrophobicContact CB-CB 4.23Å; K705-F735 HydrophobicContact CB-CD1 4.25Å; K705-F735 HydrophobicContact CD-CD1 4.19Å; K705-F735 HydrophobicContact CD-CE1 4.43Å; K705-F735 HydrophobicContact CG-CD1 4.22Å; N730-F735 HydrophobicContact CB-CE2 3.95Å; N730-F735 HydrophobicContact CB-CZ 4.08Å; T731-F735 WeakPolarHBondContact O-CD2 3.14Å; T731-F735 PolarHBondContact O-N 3.14Å; A732-F735 PolarHBondContact O-N 2.88Å; F735-S739 PolarHBondContact O-N 3.49Å
736	A	92.4	Very high	89.8	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-48.2	171.7	0	0	0	0	0	111.9	C704 A732 L733 Y734 F738 S739 V744 C745	C704-A736 HydrophobicContact CB-CB 4.32Å; A732-A736 PolarHBondContact O-N 2.95Å; L733-A736 WeakPolarHBondContact O-CB 3.42Å; L733-A736 PolarHBondContact O-N 3.16Å; Y734-A736 VanDerWaalsContact C-N 3.27Å; Y734-A736 PolarHBondContact O-N 2.89Å; A736-F738 PolarHBondContact O-N 3.12Å; A736-S739 WeakPolarHBondContact O-CB 3.17Å; A736-S739 PolarHBondContact O-N 3.48Å; A736-S739 PolarHBondContact O-OG 2.83Å; A736-V744 HydrophobicContact CB-CG1 3.73Å; A736-C745 HydrophobicContact CB-CB 4.41Å; A736-C745 PolarHBondContact O-SG 3.49Å
737	N	90.7	Very high	89.9	Confident	93 Å²	93	73.9 Å²	73.9	50%	0.497	36%	0.359	S	S	.	.	H	α-helix	trans	-62.5	-23.6	-179.2	-69.8	-18.3	0	0	0	114	L733 Y734	L733-N737 VanDerWaalsContact O-CG 3.26Å; L733-N737 PolarHBondContact O-N 3.41Å; L733-N737 PolarHBondContact O-ND2 2.95Å; Y734-N737 PolarHBondContact O-N 3.39Å
738	F	86	Confident	89.9	Confident	146 Å²	146	66.1 Å²	66.1	64%	0.64	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	7.1	173	-68.6	-74.7	0	0	0	113.7	Y734 A736	Y734-F738 AromaticContact CD1-CD2 3.87Å; Y734-F738 HydrophobicContact CD1-CD2 3.87Å; Y734-F738 HydrophobicContact CD1-CE2 4.11Å; Y734-F738 HydrophobicContact CD2-CE2 4.03Å; Y734-F738 AromaticContact CE1-CD2 3.55Å; Y734-F738 HydrophobicContact CE1-CD2 3.55Å; Y734-F738 AromaticContact CE1-CE2 3.64Å; Y734-F738 HydrophobicContact CE1-CE2 3.64Å; Y734-F738 HydrophobicContact CE2-CD2 4.31Å; Y734-F738 AromaticContact CE2-CE2 3.59Å; Y734-F738 HydrophobicContact CE2-CE2 3.59Å; Y734-F738 HydrophobicContact CE2-CZ 4.47Å; Y734-F738 HydrophobicContact CG-CD2 4.34Å; Y734-F738 HydrophobicContact CG-CE2 4.27Å; Y734-F738 AromaticContact CZ-CD2 3.81Å; Y734-F738 AromaticContact CZ-CE2 3.36Å; Y734-F738 VanDerWaalsContact O-CD2 3.28Å; Y734-F738 WeakPolarHBondContact O-CD2 3.38Å; Y734-F738 PolarHBondContact O-N 3.3Å; A736-F738 PolarHBondContact O-N 3.12Å
739	S	87.2	Confident	90	Very high	14 Å²	14	63 Å²	63	10%	0.098	31%	0.31	C	S	.	.	S	Bend	trans	-86.1	154.2	170.4	86.7	0	0	0	0	110.7	C704 F735 A736 N741	C704-S739 WeakPolarHBondContact O-CB 2.93Å; F735-S739 PolarHBondContact O-N 3.49Å; A736-S739 WeakPolarHBondContact O-CB 3.17Å; A736-S739 PolarHBondContact O-N 3.48Å; A736-S739 PolarHBondContact O-OG 2.83Å; S739-N741 PolarHBondContact O-N 3.35Å; S739-N741 PolarHBondContact OG-N 3.23Å; S739-N741 PolarHBondContact OG-O 3.35Å
740	N	80.1	Confident	90.1	Very high	178 Å²	178	59.6 Å²	59.6	95%	0.952	30%	0.3	S	S	*	.	S	Bend	trans	-75.9	14.6	175.5	-68.9	-0.1	0	0	0	113.2
741	N	89.6	Confident	90	Very high	46 Å²	46	58.7 Å²	58.7	25%	0.246	30%	0.295	C	S	.	.			trans	-132.8	98.2	-171.6	-170.3	-4.5	0	0	0	112.1	G707 S739 M743 V744	G707-N741 PolarHBondContact O-ND2 3.02Å; S739-N741 PolarHBondContact O-N 3.35Å; S739-N741 PolarHBondContact OG-N 3.23Å; S739-N741 PolarHBondContact OG-O 3.35Å; N741-M743 PolarHBondContact O-N 2.95Å; N741-M743 WeakPolarHBondContact OD1-CB 3.32Å; N741-M743 WeakPolarHBondContact OD1-CG 3.4Å; N741-M743 PolarHBondContact OD1-N 3.03Å; N741-V744 HydrophobicContact CB-CG2 4.08Å; N741-V744 WeakPolarHBondContact O-CB 3.36Å; N741-V744 PolarHBondContact O-N 3.28Å
742	L	89.6	Confident	89.7	Confident	134 Å²	134	58 Å²	58	70%	0.702	29%	0.289	S	S	*	.	H	α-helix	trans	-57.7	-32	-179.8	-62.8	176.3	0	0	0	113.2	V744 C745 D746	L742-V744 PolarHBondContact O-N 3.25Å; L742-V744 VanDerWaalsContact O-N 3.11Å; L742-C745 WeakPolarHBondContact O-CA 3.46Å; L742-C745 VanDerWaalsContact O-CB 3.28Å; L742-C745 WeakPolarHBondContact O-CB 3.36Å; L742-C745 PolarHBondContact O-N 2.92Å; L742-D746 PolarHBondContact O-N 3.2Å; L742-D746 VanDerWaalsContact O-N 3.15Å
743	M	91.4	Very high	89.5	Confident	112 Å²	112	62.7 Å²	62.7	55%	0.552	31%	0.314	S	S	*	.	H	α-helix	trans	-56.1	-32	177.4	-55.4	-59.3	-60.6	0	0	112.1	N741 L747	N741-M743 PolarHBondContact O-N 2.95Å; N741-M743 WeakPolarHBondContact OD1-CB 3.32Å; N741-M743 WeakPolarHBondContact OD1-CG 3.4Å; N741-M743 PolarHBondContact OD1-N 3.03Å; M743-L747 VanDerWaalsContact O-CB 3.3Å; M743-L747 WeakPolarHBondContact O-CB 3.33Å; M743-L747 WeakPolarHBondContact O-CD1 3.14Å; M743-L747 WeakPolarHBondContact O-CG 3.43Å; M743-L747 PolarHBondContact O-N 2.91Å
744	V	92.8	Very high	89.2	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-70.8	-36.4	177.8	175.3	0	0	0	0	111.5	C704 A709 V712 A736 N741 L742 D746 V748	C704-V744 HydrophobicContact CB-CG1 4.06Å; A709-V744 HydrophobicContact CB-CG2 3.95Å; V712-V744 HydrophobicContact CG1-CG1 4.36Å; V712-V744 HydrophobicContact CG2-CG1 4.01Å; A736-V744 HydrophobicContact CB-CG1 3.73Å; N741-V744 HydrophobicContact CB-CG2 4.08Å; N741-V744 WeakPolarHBondContact O-CB 3.36Å; N741-V744 PolarHBondContact O-N 3.28Å; L742-V744 PolarHBondContact O-N 3.25Å; L742-V744 VanDerWaalsContact O-N 3.11Å; V744-D746 VanDerWaalsContact C-N 3.34Å; V744-V748 VanDerWaalsContact O-CG2 3.3Å; V744-V748 WeakPolarHBondContact O-CG2 3.43Å; V744-V748 PolarHBondContact O-N 2.74Å
745	C	92.3	Very high	88.7	Confident	4 Å²	4	60.2 Å²	60.2	3%	0.027	30%	0.304	C	S	.	.	H	α-helix	trans	-63.8	-44.5	175.1	-51.3	0	0	0	0	110.6	A736 L742 K749	A736-C745 HydrophobicContact CB-CB 4.41Å; A736-C745 PolarHBondContact O-SG 3.49Å; L742-C745 WeakPolarHBondContact O-CA 3.46Å; L742-C745 VanDerWaalsContact O-CB 3.28Å; L742-C745 WeakPolarHBondContact O-CB 3.36Å; L742-C745 PolarHBondContact O-N 2.92Å; C745-K749 VanDerWaalsContact O-CG 3.26Å; C745-K749 WeakPolarHBondContact O-CG 3.38Å; C745-K749 PolarHBondContact O-N 2.94Å; C745-K749 VanDerWaalsContact O-N 3.1Å
746	D	92.9	Very high	88.2	Confident	65 Å²	65	60.6 Å²	60.6	35%	0.348	31%	0.309	S	S	.	.	H	α-helix	trans	-74.9	-44.3	-174.2	-59.2	-31	0	0	0	111	L742 V744 V748 K749 D750	L742-D746 PolarHBondContact O-N 3.2Å; L742-D746 VanDerWaalsContact O-N 3.15Å; V744-D746 VanDerWaalsContact C-N 3.34Å; D746-V748 VanDerWaalsContact C-N 3.26Å; D746-V748 PolarHBondContact O-N 3.1Å; D746-K749 PolarHBondContact O-N 2.84Å; D746-K749 IonicContact OD1-NZ 3.66Å; D746-K749 PolarHBondContact OD1-NZ 3.05Å; D746-D750 WeakPolarHBondContact O-CB 3.4Å; D746-D750 PolarHBondContact O-N 2.57Å
747	L	92	Very high	87.7	Confident	38 Å²	38	63 Å²	63	20%	0.199	33%	0.326	C	S	.	.	H	α-helix	trans	-51.2	-42.3	170.4	-76.9	167.3	0	0	0	113.4	A709 V712 R713 L716 M743 H751	A709-L747 HydrophobicContact CB-CD1 4.26Å; V712-L747 HydrophobicContact CG1-CB 4.39Å; R713-L747 HydrophobicContact CG-CD1 3.81Å; R713-L747 HydrophobicContact CG-CD2 3.72Å; R713-L747 HydrophobicContact CG-CG 4.43Å; L716-L747 HydrophobicContact CD1-CB 4.45Å; M743-L747 VanDerWaalsContact O-CB 3.3Å; M743-L747 WeakPolarHBondContact O-CB 3.33Å; M743-L747 WeakPolarHBondContact O-CD1 3.14Å; M743-L747 WeakPolarHBondContact O-CG 3.43Å; M743-L747 PolarHBondContact O-N 2.91Å; L747-H751 WeakPolarHBondContact O-CB 3.44Å; L747-H751 PolarHBondContact O-N 3.21Å; L747-H751 VanDerWaalsContact O-N 3.1Å
748	V	90.4	Very high	87.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-72.5	-38.4	179.1	171.6	0	0	0	0	111.6	V712 L716 C722 L733 V744 D746 I752	V712-V748 HydrophobicContact CG1-CG2 4.06Å; L716-V748 HydrophobicContact CD1-CG2 4.46Å; C722-V748 HydrophobicContact CB-CG1 4.37Å; L733-V748 HydrophobicContact CB-CG1 3.95Å; L733-V748 HydrophobicContact CD1-CB 4.46Å; L733-V748 HydrophobicContact CD1-CG1 4.22Å; V744-V748 VanDerWaalsContact O-CG2 3.3Å; V744-V748 WeakPolarHBondContact O-CG2 3.43Å; V744-V748 PolarHBondContact O-N 2.74Å; D746-V748 VanDerWaalsContact C-N 3.26Å; D746-V748 PolarHBondContact O-N 3.1Å; V748-I752 HydrophobicContact CG1-CD1 3.94Å; V748-I752 WeakPolarHBondContact O-CD1 3.3Å; V748-I752 WeakPolarHBondContact O-CG1 3.39Å; V748-I752 PolarHBondContact O-N 3.05Å; V748-I752 VanDerWaalsContact O-N 3.14Å
749	K	90.2	Very high	86.8	Confident	79 Å²	79	52.7 Å²	52.7	34%	0.343	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-48.8	173.5	-67.5	164	-156.6	163.6	0	111	L733 C745 D746 H751 I752 N753	L733-K749 HydrophobicContact CD1-CG 4Å; L733-K749 HydrophobicContact CD2-CG 4.47Å; C745-K749 VanDerWaalsContact O-CG 3.26Å; C745-K749 WeakPolarHBondContact O-CG 3.38Å; C745-K749 PolarHBondContact O-N 2.94Å; C745-K749 VanDerWaalsContact O-N 3.1Å; D746-K749 PolarHBondContact O-N 2.84Å; D746-K749 IonicContact OD1-NZ 3.66Å; D746-K749 PolarHBondContact OD1-NZ 3.05Å; K749-H751 VanDerWaalsContact C-N 3.3Å; K749-H751 PolarHBondContact O-N 2.86Å; K749-I752 PolarHBondContact O-N 2.95Å; K749-I752 VanDerWaalsContact O-N 3.14Å; K749-N753 WeakPolarHBondContact O-CB 3.44Å; K749-N753 PolarHBondContact O-N 3.26Å; K749-N753 PolarHBondContact O-ND2 2.98Å
750	D	89.8	Confident	86.2	Confident	100 Å²	100	54.7 Å²	54.7	54%	0.535	29%	0.286	S	S	.	.	H	α-helix	trans	-63.3	-38.8	-175.8	-65.7	-18.3	0	0	0	111.1	D746 N753 K754	D746-D750 WeakPolarHBondContact O-CB 3.4Å; D746-D750 PolarHBondContact O-N 2.57Å; D750-N753 PolarHBondContact O-N 3.2Å; D750-K754 VanDerWaalsContact O-CB 3.29Å; D750-K754 WeakPolarHBondContact O-CB 3.49Å; D750-K754 PolarHBondContact O-N 3.37Å
751	H	87.1	Confident	86.2	Confident	18 Å²	18	49.5 Å²	49.5	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-41.8	173	-172.9	-103.2	0	0	0	113	L716 L747 K749 K754 L755 F821	L716-H751 HydrophobicContact CD1-CB 4.13Å; L716-H751 HydrophobicContact CD2-CB 4.18Å; L716-H751 PolarHBondContact O-NE2 2.8Å; L747-H751 WeakPolarHBondContact O-CB 3.44Å; L747-H751 PolarHBondContact O-N 3.21Å; L747-H751 VanDerWaalsContact O-N 3.1Å; K749-H751 VanDerWaalsContact C-N 3.3Å; K749-H751 PolarHBondContact O-N 2.86Å; H751-K754 PolarHBondContact O-N 3.39Å; H751-L755 WeakPolarHBondContact O-CB 3.48Å; H751-L755 WeakPolarHBondContact O-CG 3.29Å; H751-L755 PolarHBondContact O-N 2.8Å; H751-F821 AromaticContact NE2-CE1 3.73Å
752	I	85.8	Confident	85.5	Confident	28 Å²	28	49 Å²	49	14%	0.144	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-44	174.4	-68.6	163.7	0	0	0	110.6	C722 V748 K749 L755 S756	C722-I752 HydrophobicContact CB-CD1 3.83Å; C722-I752 HydrophobicContact CB-CG1 3.7Å; V748-I752 HydrophobicContact CG1-CD1 3.94Å; V748-I752 WeakPolarHBondContact O-CD1 3.3Å; V748-I752 WeakPolarHBondContact O-CG1 3.39Å; V748-I752 PolarHBondContact O-N 3.05Å; V748-I752 VanDerWaalsContact O-N 3.14Å; K749-I752 PolarHBondContact O-N 2.95Å; K749-I752 VanDerWaalsContact O-N 3.14Å; I752-L755 PolarHBondContact O-N 3.09Å; I752-S756 PolarHBondContact O-N 2.89Å
753	N	85.9	Confident	84.8	Confident	98 Å²	98	43.2 Å²	43.2	52%	0.524	23%	0.227	S	C	.	.	H	α-helix	trans	-64	-43.7	178.1	-67.2	-22.2	0	0	0	111.4	K749 D750 S756 S757	K749-N753 WeakPolarHBondContact O-CB 3.44Å; K749-N753 PolarHBondContact O-N 3.26Å; K749-N753 PolarHBondContact O-ND2 2.98Å; D750-N753 PolarHBondContact O-N 3.2Å; N753-S756 WeakPolarHBondContact O-CB 3.38Å; N753-S756 PolarHBondContact O-N 3.16Å; N753-S756 VanDerWaalsContact O-N 3.16Å; N753-S757 PolarHBondContact O-N 3.13Å
754	K	84.9	Confident	83.8	Confident	89 Å²	89	43.6 Å²	43.6	39%	0.387	22%	0.222	S	C	.	.	H	α-helix	trans	-66.8	-37.1	177.7	-168.4	174.2	-177.6	173.8	0	112.4	D750 H751 S756 S757 V758 I825	D750-K754 VanDerWaalsContact O-CB 3.29Å; D750-K754 WeakPolarHBondContact O-CB 3.49Å; D750-K754 PolarHBondContact O-N 3.37Å; H751-K754 PolarHBondContact O-N 3.39Å; K754-S756 VanDerWaalsContact C-N 3.33Å; K754-S757 PolarHBondContact O-OG 2.93Å; K754-V758 HydrophobicContact CG-CG2 4.46Å; K754-V758 WeakPolarHBondContact O-CB 3.46Å; K754-V758 WeakPolarHBondContact O-CG2 3.41Å; K754-V758 PolarHBondContact O-N 3.27Å; K754-V758 VanDerWaalsContact O-N 3.07Å; K754-I825 HydrophobicContact CB-CD1 4.33Å; K754-I825 HydrophobicContact CD-CD1 3.89Å; K754-I825 HydrophobicContact CD-CG1 4.14Å; K754-I825 HydrophobicContact CG-CD1 3.99Å; K754-I825 HydrophobicContact CG-CG1 4.48Å
755	L	81.5	Confident	82.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-42.7	169.4	-78.1	172	0	0	0	111.5	H751 I752 A759 H783 L785 F821 I825 L882	H751-L755 WeakPolarHBondContact O-CB 3.48Å; H751-L755 WeakPolarHBondContact O-CG 3.29Å; H751-L755 PolarHBondContact O-N 2.8Å; I752-L755 PolarHBondContact O-N 3.09Å; L755-A759 VanDerWaalsContact O-CB 3.29Å; L755-A759 WeakPolarHBondContact O-CB 3.45Å; L755-A759 PolarHBondContact O-N 2.71Å; L755-H783 HydrophobicContact CB-CB 4.32Å; L755-H783 HydrophobicContact CD1-CB 4.38Å; L755-L785 HydrophobicContact CD1-CD1 4.45Å; L755-L785 HydrophobicContact CD2-CD2 4.36Å; L755-F821 HydrophobicContact CD2-CE1 3.95Å; L755-F821 HydrophobicContact CD2-CZ 3.97Å; L755-I825 HydrophobicContact CD2-CD1 4.49Å; L755-I825 HydrophobicContact CD2-CG2 4.27Å; L755-L882 HydrophobicContact CD2-CD1 4.31Å
756	S	80.8	Confident	81.6	Confident	31 Å²	31	49.4 Å²	49.4	22%	0.217	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-45.9	179.4	-165	0	0	0	0	112.4	I752 N753 K754 A759 E760 H783	I752-S756 PolarHBondContact O-N 2.89Å; N753-S756 WeakPolarHBondContact O-CB 3.38Å; N753-S756 PolarHBondContact O-N 3.16Å; N753-S756 VanDerWaalsContact O-N 3.16Å; K754-S756 VanDerWaalsContact C-N 3.33Å; S756-A759 PolarHBondContact O-N 3.21Å; S756-E760 WeakPolarHBondContact O-CB 3.49Å; S756-E760 WeakPolarHBondContact O-CG 3.42Å; S756-E760 PolarHBondContact O-N 3.16Å; S756-H783 WeakPolarHBondContact CA-NE2 3.39Å
757	S	81.9	Confident	80.5	Confident	51 Å²	51	47.7 Å²	47.7	36%	0.357	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-50.3	178.2	66	0	0	0	0	110.7	N753 K754 A759 E760 D761	N753-S757 PolarHBondContact O-N 3.13Å; K754-S757 PolarHBondContact O-OG 2.93Å; S757-A759 VanDerWaalsContact C-N 3.26Å; S757-A759 PolarHBondContact O-N 2.82Å; S757-E760 PolarHBondContact O-N 2.64Å; S757-E760 VanDerWaalsContact O-N 3.12Å; S757-D761 VanDerWaalsContact O-CB 3.25Å; S757-D761 WeakPolarHBondContact O-CB 3.47Å; S757-D761 PolarHBondContact O-N 3.36Å
758	V	81.7	Confident	78.8	Confident	21 Å²	21	52.3 Å²	52.3	13%	0.127	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-36.8	-180	171.6	0	0	0	0	112.1	K754 T762 I825 A827	K754-V758 HydrophobicContact CG-CG2 4.46Å; K754-V758 WeakPolarHBondContact O-CB 3.46Å; K754-V758 WeakPolarHBondContact O-CG2 3.41Å; K754-V758 PolarHBondContact O-N 3.27Å; K754-V758 VanDerWaalsContact O-N 3.07Å; V758-T762 WeakPolarHBondContact O-CB 3.36Å; V758-T762 VanDerWaalsContact O-CG2 3.24Å; V758-T762 WeakPolarHBondContact O-CG2 3.22Å; V758-T762 PolarHBondContact O-N 2.96Å; V758-T762 VanDerWaalsContact O-N 3.11Å; V758-T762 PolarHBondContact O-OG1 2.96Å; V758-I825 HydrophobicContact CG1-CG2 4.3Å; V758-I825 HydrophobicContact CG2-CB 4.4Å; V758-I825 HydrophobicContact CG2-CG2 4.43Å; V758-I825 WeakPolarHBondContact CG2-O 3.49Å; V758-A827 HydrophobicContact CG1-CB 3.58Å
759	A	75.5	Confident	77.1	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-72.2	-42.7	175.6	0	0	0	0	0	113.2	L755 S756 S757 T762 I763 H783 L882	L755-A759 VanDerWaalsContact O-CB 3.29Å; L755-A759 WeakPolarHBondContact O-CB 3.45Å; L755-A759 PolarHBondContact O-N 2.71Å; S756-A759 PolarHBondContact O-N 3.21Å; S757-A759 VanDerWaalsContact C-N 3.26Å; S757-A759 PolarHBondContact O-N 2.82Å; A759-T762 PolarHBondContact O-OG1 3.32Å; A759-I763 WeakPolarHBondContact O-CB 3.1Å; A759-I763 WeakPolarHBondContact O-CD1 3.19Å; A759-I763 VanDerWaalsContact O-CG1 3.29Å; A759-I763 WeakPolarHBondContact O-CG1 3.34Å; A759-I763 PolarHBondContact O-N 3.02Å; A759-H783 WeakPolarHBondContact CB-CE1 3.46Å; A759-L882 HydrophobicContact CB-CD2 4.35Å
760	E	75.1	Confident	75.4	Confident	56 Å²	56	62 Å²	62	26%	0.262	32%	0.318	S	S	.	.	H	α-helix	trans	-70.8	-37.1	178.1	-69.3	-165.6	149.4	0	0	111.7	S756 S757 I763 R764 R776	S756-E760 WeakPolarHBondContact O-CB 3.49Å; S756-E760 WeakPolarHBondContact O-CG 3.42Å; S756-E760 PolarHBondContact O-N 3.16Å; S757-E760 PolarHBondContact O-N 2.64Å; S757-E760 VanDerWaalsContact O-N 3.12Å; E760-I763 PolarHBondContact O-N 2.92Å; E760-R764 WeakPolarHBondContact O-CB 3.14Å; E760-R764 PolarHBondContact O-N 3.04Å; E760-R776 IonicContact OE1-CZ 2.77Å; E760-R776 IonicContact OE1-NE 3.94Å; E760-R776 IonicContact OE1-NH2 2.69Å; E760-R776 PolarHBondContact OE1-NH2 2.86Å; E760-R776 IonicContact OE2-NH2 2.73Å
761	D	78.4	Confident	73.5	Confident	69 Å²	69	61.2 Å²	61.2	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-69.1	-41.8	178.1	-63.3	-30.5	0	0	0	112.1	S757 I763 R764 A765	S757-D761 VanDerWaalsContact O-CB 3.25Å; S757-D761 WeakPolarHBondContact O-CB 3.47Å; S757-D761 PolarHBondContact O-N 3.36Å; D761-I763 VanDerWaalsContact C-N 3.32Å; D761-I763 PolarHBondContact O-N 3.46Å; D761-R764 PolarHBondContact O-N 3.27Å; D761-R764 IonicContact OD1-CZ 3.55Å; D761-R764 IonicContact OD1-NH1 3.62Å; D761-R764 PolarHBondContact OD1-NH1 2.97Å; D761-R764 IonicContact OD1-NH2 2.81Å; D761-R764 PolarHBondContact OD1-NH2 3.17Å; D761-A765 WeakPolarHBondContact O-CB 3.27Å; D761-A765 PolarHBondContact O-N 2.84Å
762	T	76.7	Confident	71.8	Confident	36 Å²	36	67.3 Å²	67.3	22%	0.221	35%	0.351	C	S	.	.	H	α-helix	trans	-71.3	-26.3	176.3	51.9	0	0	0	0	113.3	V758 A759 A827	V758-T762 WeakPolarHBondContact O-CB 3.36Å; V758-T762 VanDerWaalsContact O-CG2 3.24Å; V758-T762 WeakPolarHBondContact O-CG2 3.22Å; V758-T762 PolarHBondContact O-N 2.96Å; V758-T762 VanDerWaalsContact O-N 3.11Å; V758-T762 PolarHBondContact O-OG1 2.96Å; A759-T762 PolarHBondContact O-OG1 3.32Å; T762-A827 HydrophobicContact CG2-CB 4.3Å; T762-A827 WeakPolarHBondContact CG2-O 3.37Å
763	I	73.1	Confident	70.2	Confident	12 Å²	12	71 Å²	71	6%	0.062	38%	0.375	C	S	.	.	H	α-helix	trans	-74.4	-42.2	168.9	-74.3	171.9	0	0	0	110.6	A759 E760 D761 Y766 F767 F815 F817 Y886	A759-I763 WeakPolarHBondContact O-CB 3.1Å; A759-I763 WeakPolarHBondContact O-CD1 3.19Å; A759-I763 VanDerWaalsContact O-CG1 3.29Å; A759-I763 WeakPolarHBondContact O-CG1 3.34Å; A759-I763 PolarHBondContact O-N 3.02Å; E760-I763 PolarHBondContact O-N 2.92Å; D761-I763 VanDerWaalsContact C-N 3.32Å; D761-I763 PolarHBondContact O-N 3.46Å; I763-Y766 WeakPolarHBondContact O-CB 3.48Å; I763-Y766 PolarHBondContact O-N 3.48Å; I763-Y766 VanDerWaalsContact O-N 3.14Å; I763-F767 HydrophobicContact CG2-CD2 3.73Å; I763-F767 HydrophobicContact CG2-CE2 4.05Å; I763-F767 WeakPolarHBondContact O-CD2 3.4Å; I763-F767 PolarHBondContact O-N 3.25Å; I763-F815 HydrophobicContact CD1-CD1 4.1Å; I763-F815 HydrophobicContact CD1-CE1 4.27Å; I763-F815 HydrophobicContact CD1-CG 4.22Å; I763-F815 HydrophobicContact CG1-CD1 4.01Å; I763-F815 HydrophobicContact CG1-CE1 4.05Å; I763-F817 HydrophobicContact CD1-CZ 3.94Å; I763-F817 HydrophobicContact CG1-CE1 4.26Å; I763-F817 HydrophobicContact CG1-CZ 3.84Å; I763-Y886 HydrophobicContact CD1-CD2 3.93Å; I763-Y886 HydrophobicContact CD1-CE1 4.05Å; I763-Y886 HydrophobicContact CD1-CE2 3.18Å; I763-Y886 VanDerWaalsContact CD1-OH 3.29Å; I763-Y886 WeakPolarHBondContact CD1-OH 3.3Å
764	R	72.1	Confident	68.9	Low	119 Å²	119	69 Å²	69	45%	0.449	36%	0.364	S	S	.	.	H	α-helix	trans	-61	-50.6	177.9	-151.1	-169.4	-57.6	100.3	10.3	111	E760 D761 Y766 F767 E768	E760-R764 WeakPolarHBondContact O-CB 3.14Å; E760-R764 PolarHBondContact O-N 3.04Å; D761-R764 PolarHBondContact O-N 3.27Å; D761-R764 IonicContact OD1-CZ 3.55Å; D761-R764 IonicContact OD1-NH1 3.62Å; D761-R764 PolarHBondContact OD1-NH1 2.97Å; D761-R764 IonicContact OD1-NH2 2.81Å; D761-R764 PolarHBondContact OD1-NH2 3.17Å; R764-Y766 PolarHBondContact O-N 2.66Å; R764-F767 PolarHBondContact O-N 2.93Å; R764-E768 WeakPolarHBondContact CD-OE1 3.34Å; R764-E768 HydrophobicContact CG-CG 4.04Å; R764-E768 WeakPolarHBondContact CG-OE1 3.26Å; R764-E768 VanDerWaalsContact O-CB 3.32Å; R764-E768 WeakPolarHBondContact O-CB 3.38Å; R764-E768 VanDerWaalsContact O-CG 3.25Å; R764-E768 WeakPolarHBondContact O-CG 3.38Å; R764-E768 PolarHBondContact O-N 3.11Å
765	A	71.7	Confident	67.4	Low	70 Å²	70	69.6 Å²	69.6	58%	0.579	37%	0.368	S	S	*	.	H	α-helix	trans	-59.1	-19.7	176	0	0	0	0	0	114.2	D761 E768	D761-A765 WeakPolarHBondContact O-CB 3.27Å; D761-A765 PolarHBondContact O-N 2.84Å; A765-E768 WeakPolarHBondContact CA-OE2 3.39Å
766	Y	66.9	Low	66.1	Low	56 Å²	56	77.1 Å²	77.1	22%	0.22	40%	0.396	C	S	.	.	H	α-helix	trans	-84.7	-47	171.2	-166.9	-81.9	0	0	0	112.5	I763 R764 S769 L829 D851 F854	I763-Y766 WeakPolarHBondContact O-CB 3.48Å; I763-Y766 PolarHBondContact O-N 3.48Å; I763-Y766 VanDerWaalsContact O-N 3.14Å; R764-Y766 PolarHBondContact O-N 2.66Å; Y766-S769 PolarHBondContact O-OG 3.07Å; Y766-L829 HydrophobicContact CD2-CD1 3.46Å; Y766-L829 VanDerWaalsContact CD2-CD1 3.46Å; Y766-L829 HydrophobicContact CE2-CD1 3.98Å; Y766-L829 HydrophobicContact CG-CD1 4.04Å; Y766-D851 PolarHBondContact OH-OD2 3.19Å; Y766-D851 VanDerWaalsContact OH-OD2 3.13Å; Y766-F854 HydrophobicContact CD1-CE2 4.06Å; Y766-F854 AromaticContact CD1-CZ 3.58Å; Y766-F854 HydrophobicContact CD1-CZ 3.58Å; Y766-F854 HydrophobicContact CD2-CZ 4.04Å; Y766-F854 AromaticContact CE1-CE2 3.37Å; Y766-F854 HydrophobicContact CE1-CE2 3.37Å; Y766-F854 AromaticContact CE1-CZ 3.35Å; Y766-F854 HydrophobicContact CE1-CZ 3.35Å; Y766-F854 HydrophobicContact CE2-CE2 4.21Å; Y766-F854 AromaticContact CE2-CZ 3.81Å; Y766-F854 HydrophobicContact CE2-CZ 3.81Å; Y766-F854 AromaticContact CG-CZ 3.93Å; Y766-F854 HydrophobicContact CG-CZ 3.93Å; Y766-F854 AromaticContact CZ-CE2 3.45Å; Y766-F854 VanDerWaalsContact CZ-CE2 3.45Å; Y766-F854 AromaticContact CZ-CZ 3.47Å; Y766-F854 VanDerWaalsContact CZ-CZ 3.47Å
767	F	68.4	Low	64.8	Low	29 Å²	29	77 Å²	77	13%	0.127	39%	0.394	C	S	.	.	H	α-helix	trans	-92.5	-6.4	-173.2	-69	-71.5	0	0	0	115.7	I763 R764 S769 R770 L771 L774 L813 F815 F854	I763-F767 HydrophobicContact CG2-CD2 3.73Å; I763-F767 HydrophobicContact CG2-CE2 4.05Å; I763-F767 WeakPolarHBondContact O-CD2 3.4Å; I763-F767 PolarHBondContact O-N 3.25Å; R764-F767 PolarHBondContact O-N 2.93Å; F767-S769 PolarHBondContact O-N 3.15Å; F767-R770 PolarHBondContact O-N 3.3Å; F767-L771 PolarHBondContact O-N 3.1Å; F767-L771 VanDerWaalsContact O-N 3.14Å; F767-L774 HydrophobicContact CD2-CD1 3.87Å; F767-L774 HydrophobicContact CE2-CD1 4.07Å; F767-L774 HydrophobicContact CG-CD1 4.24Å; F767-L813 HydrophobicContact CZ-CD2 4.33Å; F767-F815 AromaticContact CE2-CE1 3.62Å; F767-F815 HydrophobicContact CE2-CE1 3.62Å; F767-F815 AromaticContact CE2-CZ 3.62Å; F767-F815 HydrophobicContact CE2-CZ 3.62Å; F767-F815 HydrophobicContact CZ-CE1 4.08Å; F767-F815 AromaticContact CZ-CZ 3.95Å; F767-F815 HydrophobicContact CZ-CZ 3.95Å; F767-F854 HydrophobicContact CZ-CE2 4.4Å; F767-F854 HydrophobicContact CZ-CZ 4.21Å
768	E	57.7	Low	63.5	Low	135 Å²	135	77 Å²	77	63%	0.631	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-25.3	171.8	-93.1	158.4	-169.6	0	0	112.5	R764 A765	R764-E768 WeakPolarHBondContact CD-OE1 3.34Å; R764-E768 HydrophobicContact CG-CG 4.04Å; R764-E768 WeakPolarHBondContact CG-OE1 3.26Å; R764-E768 VanDerWaalsContact O-CB 3.32Å; R764-E768 WeakPolarHBondContact O-CB 3.38Å; R764-E768 VanDerWaalsContact O-CG 3.25Å; R764-E768 WeakPolarHBondContact O-CG 3.38Å; R764-E768 PolarHBondContact O-N 3.11Å; A765-E768 WeakPolarHBondContact CA-OE2 3.39Å
769	S	54.4	Low	61.8	Low	95 Å²	95	82 Å²	82	66%	0.664	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-8.6	174.9	63.7	0	0	0	0	115.7	Y766 F767	Y766-S769 PolarHBondContact O-OG 3.07Å; F767-S769 PolarHBondContact O-N 3.15Å
770	R	54.3	Low	60.3	Low	189 Å²	189	87 Å²	87	71%	0.713	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.5	-29.1	-163	-72.2	-172	-179.5	173.9	2.5	120.6	F767	F767-R770 PolarHBondContact O-N 3.3Å
771	L	49.4	Very low	59.2	Low	82 Å²	82	84.7 Å²	84.7	43%	0.429	44%	0.437	S	S	.	.			trans	-146.8	142.9	-174.4	-80.1	179.6	0	0	0	115.9	F767	F767-L771 PolarHBondContact O-N 3.1Å; F767-L771 VanDerWaalsContact O-N 3.14Å
772	V	52.2	Low	58	Low	146 Å²	146	83 Å²	83	89%	0.885	43%	0.43	S	S	*	.	S	Bend	trans	-100.1	-16.3	-173.9	173.1	0	0	0	0	114.3
773	V	50.4	Low	57.7	Low	106 Å²	106	81.4 Å²	81.4	64%	0.642	42%	0.42	S	S	*	.			trans	-134	124	-177.4	-173.6	0	0	0	0	111.8	E775	V773-E775 HydrophobicContact CG1-CG 4.39Å
774	L	59	Low	57.6	Low	56 Å²	56	83.2 Å²	83.2	29%	0.293	43%	0.427	S	S	.	.			trans	-143.4	86.3	179.9	-126.9	158.4	0	0	0	109.1	F767 Y886 V888	F767-L774 HydrophobicContact CD2-CD1 3.87Å; F767-L774 HydrophobicContact CE2-CD1 4.07Å; F767-L774 HydrophobicContact CG-CD1 4.24Å; L774-Y886 HydrophobicContact CD2-CD1 4.12Å; L774-Y886 HydrophobicContact CD2-CG 4.24Å; L774-V888 HydrophobicContact CD2-CG2 3.89Å; L774-V888 HydrophobicContact CG-CG2 4.42Å
775	E	52.9	Low	57.7	Low	101 Å²	101	77.8 Å²	77.8	47%	0.472	41%	0.406	S	S	.	.			trans	-70.6	157	-178.9	-71.1	-170.3	156.9	0	0	112.7	V773 R887	V773-E775 HydrophobicContact CG1-CG 4.39Å; E775-R887 HydrophobicContact CB-CB 4.24Å; E775-R887 WeakPolarHBondContact O-CA 2.96Å; E775-R887 WeakPolarHBondContact O-CB 2.95Å; E775-R887 PolarHBondContact O-N 3.05Å; E775-R887 IonicContact OE2-CZ 2.61Å; E775-R887 IonicContact OE2-NH1 3.32Å; E775-R887 PolarHBondContact OE2-NH1 2.91Å
776	R	55.5	Low	57.6	Low	158 Å²	158	74.8 Å²	74.8	60%	0.596	38%	0.381	S	S	*	.			trans	-94.5	117	177.7	-63.3	173.1	175.6	144.7	-8.2	109.1	E760 F778	E760-R776 IonicContact OE1-CZ 2.77Å; E760-R776 IonicContact OE1-NE 3.94Å; E760-R776 IonicContact OE1-NH2 2.69Å; E760-R776 PolarHBondContact OE1-NH2 2.86Å; E760-R776 IonicContact OE2-NH2 2.73Å; R776-F778 PolarHBondContact O-N 3.34Å
777	V	53.8	Low	57.7	Low	28 Å²	28	74.2 Å²	74.2	17%	0.17	38%	0.38	C	S	.	.	S	Bend	trans	-63.8	-43.6	-177.1	-140.5	0	0	0	0	111.7	Y797 R887	V777-Y797 HydrophobicContact CG1-CD2 4.49Å; V777-Y797 HydrophobicContact CG1-CE2 3.94Å; V777-R887 HydrophobicContact CB-CB 4.1Å; V777-R887 HydrophobicContact CG1-CB 4.24Å; V777-R887 HydrophobicContact CG1-CG 4.16Å; V777-R887 HydrophobicContact CG2-CB 3.67Å; V777-R887 HydrophobicContact CG2-CG 4.38Å
778	F	55.2	Low	57.7	Low	52 Å²	52	73.7 Å²	73.7	23%	0.228	38%	0.383	C	S	.	.	S	Bend	trans	-135.5	166.3	-173.7	-60.4	-53.5	0	0	0	110.3	R776 L780 F795 Y797 K798	R776-F778 PolarHBondContact O-N 3.34Å; F778-L780 PolarHBondContact O-N 2.77Å; F778-L780 VanDerWaalsContact O-N 3.16Å; F778-F795 HydrophobicContact CD2-CD2 4.2Å; F778-F795 HydrophobicContact CE2-CD2 4.22Å; F778-F795 HydrophobicContact CE2-CE2 4.18Å; F778-Y797 AromaticContact CE2-CD2 3.57Å; F778-Y797 HydrophobicContact CE2-CD2 3.57Å; F778-Y797 HydrophobicContact CE2-CE2 4.21Å; F778-Y797 HydrophobicContact CE2-CG 4.15Å; F778-Y797 VanDerWaalsContact CZ-CA 3.42Å; F778-Y797 HydrophobicContact CZ-CD1 4.36Å; F778-Y797 AromaticContact CZ-CD2 3.36Å; F778-Y797 HydrophobicContact CZ-CD2 3.36Å; F778-Y797 AromaticContact CZ-CE2 3.89Å; F778-Y797 HydrophobicContact CZ-CE2 3.89Å; F778-Y797 AromaticContact CZ-CG 3.62Å; F778-Y797 HydrophobicContact CZ-CG 3.62Å; F778-K798 HydrophobicContact CE1-CB 4.43Å; F778-K798 VanDerWaalsContact CE1-N 3.32Å
779	P	45.3	Very low	58.1	Low	125 Å²	125	70.3 Å²	70.3	81%	0.812	37%	0.373	S	S	*	.	S	Bend	trans	-57.7	120.1	179.5	-26.5	36.6	0	0	0	112.1
780	L	43.3	Very low	59	Low	108 Å²	108	69.3 Å²	69.3	57%	0.565	36%	0.36	S	S	*	.	S	Bend	trans	63.3	145.1	-172	-79.2	70.9	0	0	0	115.3	F778 C782	F778-L780 PolarHBondContact O-N 2.77Å; F778-L780 VanDerWaalsContact O-N 3.16Å; L780-C782 PolarHBondContact O-N 3.1Å
781	A	51.8	Low	60	Low	6 Å²	6	61.5 Å²	61.5	5%	0.05	33%	0.331	C	S	.	.			trans	-53.9	125.2	152.8	0	0	0	0	0	108	H783 Y886	A781-H783 PolarHBondContact O-N 2.97Å; A781-H783 PolarHBondContact O-NE2 3.35Å; A781-Y886 HydrophobicContact CB-CE1 3.96Å; A781-Y886 HydrophobicContact CB-CE2 3.96Å; A781-Y886 VanDerWaalsContact CB-CZ 3.41Å; A781-Y886 WeakPolarHBondContact CB-OH 3.37Å
782	C	54.5	Low	61.1	Low	34 Å²	34	61.7 Å²	61.7	23%	0.23	34%	0.34	C	S	.	.			trans	-63.4	138.2	177.5	-144.8	0	0	0	0	109	L780 M793 I883 G884	L780-C782 PolarHBondContact O-N 3.1Å; C782-M793 HydrophobicContact CB-CE 4.5Å; C782-I883 CarbonylContact C-O 3.57Å; C782-I883 VanDerWaalsContact C-O 3.28Å; C782-I883 CarbonylContact O-C 3.28Å; C782-G884 WeakPolarHBondContact O-CA 3.14Å
783	H	69.3	Low	62.1	Low	3 Å²	3	55.5 Å²	55.5	1%	0.014	30%	0.301	C	S	.	.			trans	-129.5	77.8	173.3	-61.3	-36.4	0	0	0	107.8	N723 L755 S756 A759 A781 L882	N723-H783 PolarHBondContact ND2-O 3.27Å; L755-H783 HydrophobicContact CB-CB 4.32Å; L755-H783 HydrophobicContact CD1-CB 4.38Å; S756-H783 WeakPolarHBondContact CA-NE2 3.39Å; A759-H783 WeakPolarHBondContact CB-CE1 3.46Å; A781-H783 PolarHBondContact O-N 2.97Å; A781-H783 PolarHBondContact O-NE2 3.35Å; H783-L882 HydrophobicContact CB-CD1 3.72Å
784	R	71.1	Confident	63.1	Low	50 Å²	50	56.1 Å²	56.1	19%	0.189	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.3	173.8	-69.5	-140.5	158.4	143.6	3	110.8	D721 N723 F791 M793 L882 I883	D721-R784 WeakPolarHBondContact OD2-CA 3.49Å; D721-R784 WeakPolarHBondContact OD2-CB 3.41Å; D721-R784 WeakPolarHBondContact OD2-CD 3.35Å; D721-R784 VanDerWaalsContact OD2-CG 3.27Å; D721-R784 WeakPolarHBondContact OD2-CG 3.15Å; D721-R784 IonicContact OD2-NE 2.65Å; N723-R784 PolarHBondContact O-NH2 3.19Å; R784-F791 HydrophobicContact CB-CE2 4.14Å; R784-F791 HydrophobicContact CB-CZ 4.1Å; R784-M793 HydrophobicContact CG-SD 4.31Å; R784-M793 PolarHBondContact NH1-SD 3.18Å; R784-M793 VanDerWaalsContact NH1-SD 3.35Å; R784-L882 WeakPolarHBondContact O-CA 3.49Å; R784-I883 PolarHBondContact N-O 3.19Å; R784-I883 PolarHBondContact O-N 3.1Å
785	L	73.9	Confident	63.4	Low	5 Å²	5	55.4 Å²	55.4	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	107	-176.6	-58.8	-178.9	0	0	0	109.3	N690 G719 D721 L755 F821 L881 L882	N690-L785 PolarHBondContact ND2-O 2.99Å; G719-L785 WeakPolarHBondContact O-CB 3.37Å; G719-L785 WeakPolarHBondContact O-CD1 3.49Å; D721-L785 HydrophobicContact CB-CB 4.3Å; L755-L785 HydrophobicContact CD1-CD1 4.45Å; L755-L785 HydrophobicContact CD2-CD2 4.36Å; L785-F821 HydrophobicContact CD1-CE1 3.96Å; L785-F821 HydrophobicContact CD1-CE2 4.34Å; L785-F821 HydrophobicContact CD1-CZ 3.59Å; L785-F821 HydrophobicContact CD2-CE2 4.1Å; L785-F821 HydrophobicContact CD2-CZ 3.58Å; L785-F821 HydrophobicContact CG-CZ 4.25Å; L785-L881 CarbonylContact C-O 3.33Å; L785-L881 WeakPolarHBondContact CA-O 3.29Å; L785-L882 HydrophobicContact CD2-CB 4.01Å; L785-L882 HydrophobicContact CD2-CD1 3.77Å; L785-L882 HydrophobicContact CD2-CG 4.49Å
786	C	70.6	Confident	64	Low	7 Å²	7	55 Å²	55	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140.1	-174.2	-51.2	0	0	0	0	111.9	F791 L881 I883	C786-F791 HydrophobicContact CB-CB 4.41Å; C786-F791 HydrophobicContact CB-CD2 4.34Å; C786-F791 WeakPolarHBondContact SG-CD2 3.32Å; C786-F791 VanDerWaalsContact SG-CG 3.53Å; C786-L881 HydrophobicContact CB-CB 4.2Å; C786-L881 PolarHBondContact N-O 2.69Å; C786-I883 WeakPolarHBondContact SG-CD1 3.4Å
787	E	68.6	Low	64.3	Low	44 Å²	44	48.2 Å²	48.2	21%	0.206	27%	0.267	C	S	.	.			trans	-134.2	129.4	179	-54.7	-171.4	123.5	0	0	109	V689 N690 K880	V689-E787 WeakPolarHBondContact CA-OE2 3.5Å; V689-E787 WeakPolarHBondContact CB-OE1 3.24Å; V689-E787 WeakPolarHBondContact CB-OE2 3.21Å; V689-E787 VanDerWaalsContact CG2-OE1 3.26Å; V689-E787 WeakPolarHBondContact CG2-OE1 3.36Å; V689-E787 PolarHBondContact N-OE2 3.23Å; N690-E787 PolarHBondContact N-OE2 3.46Å; E787-K880 IonicContact OE1-NZ 3.38Å; E787-K880 PolarHBondContact OE1-NZ 2.78Å
788	G	67.3	Low	64.6	Low	17 Å²	17	54 Å²	54	18%	0.175	29%	0.29	C	S	.	.	S	Bend	trans	82.3	179.7	-170	0	0	0	0	0	113.7	L871 P875	G788-L871 WeakPolarHBondContact O-CD1 3.43Å; G788-P875 WeakPolarHBondContact O-CD 3.44Å
789	P	67.4	Low	64.5	Low	65 Å²	65	54.3 Å²	54.3	42%	0.422	30%	0.302	S	S	.	.	S	Bend	trans	-88.4	-13.6	-163.8	34	-37.4	0	0	0	115.8	L871 A874	P789-L871 WeakPolarHBondContact O-CB 3.47Å; P789-L871 WeakPolarHBondContact O-CG 3.49Å; P789-L871 PolarHBondContact O-N 3.01Å; P789-A874 HydrophobicContact CB-CB 4.44Å
790	D	71.9	Confident	64.9	Low	73 Å²	73	55 Å²	55	39%	0.39	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.7	-178.9	-81.7	-18.3	0	0	0	109.9	F868 R870	D790-F868 HydrophobicContact CB-CE2 4.2Å; D790-F868 HydrophobicContact CB-CZ 4.11Å; D790-R870 WeakPolarHBondContact OD1-CB 3.2Å; D790-R870 WeakPolarHBondContact OD1-CG 3.4Å; D790-R870 IonicContact OD1-CZ 2.66Å; D790-R870 IonicContact OD1-NE 3.28Å; D790-R870 PolarHBondContact OD1-NE 2.86Å; D790-R870 IonicContact OD1-NH2 3.58Å; D790-R870 PolarHBondContact OD1-NH2 3.29Å; D790-R870 IonicContact OD2-CZ 3.64Å; D790-R870 IonicContact OD2-NE 3.51Å; D790-R870 IonicContact OD2-NH2 2.71Å; D790-R870 PolarHBondContact OD2-NH2 3.05Å
791	F	75.7	Confident	65.1	Low	25 Å²	25	56 Å²	56	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.1	176	169.3	-102.5	0	0	0	111.1	R784 C786 M793 L867 F868 I869 I883	R784-F791 HydrophobicContact CB-CE2 4.14Å; R784-F791 HydrophobicContact CB-CZ 4.1Å; C786-F791 HydrophobicContact CB-CB 4.41Å; C786-F791 HydrophobicContact CB-CD2 4.34Å; C786-F791 WeakPolarHBondContact SG-CD2 3.32Å; C786-F791 VanDerWaalsContact SG-CG 3.53Å; F791-M793 HydrophobicContact CE1-CB 3.92Å; F791-M793 HydrophobicContact CE1-CE 4.47Å; F791-M793 HydrophobicContact CZ-CB 3.67Å; F791-M793 HydrophobicContact CZ-CE 4.3Å; F791-M793 HydrophobicContact CZ-SD 4.46Å; F791-L867 HydrophobicContact CE1-CD2 4.29Å; F791-F868 WeakPolarHBondContact O-CA 3.31Å; F791-F868 WeakPolarHBondContact O-CD2 3.43Å; F791-I869 HydrophobicContact CB-CB 4.47Å; F791-I869 HydrophobicContact CD1-CB 4.31Å; F791-I869 HydrophobicContact CD1-CD1 4.13Å; F791-I869 HydrophobicContact CD1-CG1 4.06Å; F791-I869 PolarHBondContact N-O 3.01Å; F791-I869 PolarHBondContact O-N 2.84Å; F791-I883 HydrophobicContact CD1-CD1 3.38Å; F791-I883 HydrophobicContact CD2-CD1 4.47Å; F791-I883 HydrophobicContact CE1-CD1 3.4Å; F791-I883 VanDerWaalsContact CE1-CD1 3.4Å; F791-I883 HydrophobicContact CE2-CD1 4.48Å; F791-I883 HydrophobicContact CG-CD1 3.94Å; F791-I883 HydrophobicContact CZ-CD1 3.97Å
792	S	73.4	Confident	64.9	Low	87 Å²	87	59 Å²	59	61%	0.608	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.8	171.7	67.3	0	0	0	0	112.5	L867	S792-L867 CarbonylContact C-O 3.41Å; S792-L867 VanDerWaalsContact CA-O 3.31Å; S792-L867 WeakPolarHBondContact CA-O 3.28Å
793	M	72.9	Confident	64.4	Low	16 Å²	16	62.4 Å²	62.4	8%	0.079	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	132.3	176.6	169.6	161.8	65.6	0	0	110.7	C782 R784 F791 L867	C782-M793 HydrophobicContact CB-CE 4.5Å; R784-M793 HydrophobicContact CG-SD 4.31Å; R784-M793 PolarHBondContact NH1-SD 3.18Å; R784-M793 VanDerWaalsContact NH1-SD 3.35Å; F791-M793 HydrophobicContact CE1-CB 3.92Å; F791-M793 HydrophobicContact CE1-CE 4.47Å; F791-M793 HydrophobicContact CZ-CB 3.67Å; F791-M793 HydrophobicContact CZ-CE 4.3Å; F791-M793 HydrophobicContact CZ-SD 4.46Å; M793-L867 HydrophobicContact CE-CD2 4.05Å; M793-L867 PolarHBondContact N-O 2.84Å; M793-L867 PolarHBondContact O-N 2.98Å
794	E	71.2	Confident	62.9	Low	118 Å²	118	72.3 Å²	72.3	55%	0.551	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.3	165.9	-54.7	-168.4	160.9	0	0	109.3	I864 N865 K866	E794-I864 HydrophobicContact CB-CG2 4.13Å; E794-N865 WeakPolarHBondContact CA-O 3.5Å; E794-K866 HydrophobicContact CG-CD 4.31Å; E794-K866 HydrophobicContact CG-CG 4.15Å; E794-K866 WeakPolarHBondContact OE1-CD 3.29Å; E794-K866 VanDerWaalsContact OE1-CE 3.29Å; E794-K866 WeakPolarHBondContact OE1-CE 3.22Å; E794-K866 IonicContact OE1-NZ 3.59Å; E794-K866 PolarHBondContact OE1-NZ 3.48Å
795	F	66.7	Low	61.7	Low	42 Å²	42	73.6 Å²	73.6	18%	0.184	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.1	177.1	70	-83.9	0	0	0	110.6	F778 I812 L840 N865 L867	F778-F795 HydrophobicContact CD2-CD2 4.2Å; F778-F795 HydrophobicContact CE2-CD2 4.22Å; F778-F795 HydrophobicContact CE2-CE2 4.18Å; F795-I812 HydrophobicContact CE2-CD1 3.79Å; F795-I812 HydrophobicContact CZ-CD1 3.76Å; F795-L840 HydrophobicContact CE1-CD2 4.01Å; F795-L840 HydrophobicContact CZ-CD2 4.24Å; F795-N865 HydrophobicContact CD1-CB 3.95Å; F795-N865 VanDerWaalsContact CD1-O 3.29Å; F795-N865 WeakPolarHBondContact CD1-O 3.49Å; F795-N865 HydrophobicContact CD2-CB 4.11Å; F795-N865 HydrophobicContact CE1-CB 3.47Å; F795-N865 VanDerWaalsContact CE1-CB 3.47Å; F795-N865 HydrophobicContact CE2-CB 3.66Å; F795-N865 HydrophobicContact CG-CB 4.26Å; F795-N865 HydrophobicContact CZ-CB 3.32Å; F795-N865 PolarHBondContact N-O 3.35Å; F795-N865 PolarHBondContact O-N 3.21Å; F795-L867 HydrophobicContact CD1-CB 4.4Å; F795-L867 HydrophobicContact CE1-CB 4.05Å
796	L	64.3	Low	60.2	Low	93 Å²	93	75.6 Å²	75.6	49%	0.487	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	106.5	-177.2	-179.3	66	0	0	0	110.6	K798 I864	L796-K798 HydrophobicContact CD2-CG 4.41Å; L796-K798 HydrophobicContact CG-CG 4.36Å; L796-K798 PolarHBondContact O-N 3.31Å; L796-I864 HydrophobicContact CD1-CG1 4.01Å
797	Y	63.1	Low	59	Low	15 Å²	15	79.1 Å²	79.1	6%	0.059	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	118.5	169.9	-168.8	-79.8	0	0	0	109.9	V777 F778 A799 I812 P862 G863 N865	V777-Y797 HydrophobicContact CG1-CD2 4.49Å; V777-Y797 HydrophobicContact CG1-CE2 3.94Å; F778-Y797 AromaticContact CE2-CD2 3.57Å; F778-Y797 HydrophobicContact CE2-CD2 3.57Å; F778-Y797 HydrophobicContact CE2-CE2 4.21Å; F778-Y797 HydrophobicContact CE2-CG 4.15Å; F778-Y797 VanDerWaalsContact CZ-CA 3.42Å; F778-Y797 HydrophobicContact CZ-CD1 4.36Å; F778-Y797 AromaticContact CZ-CD2 3.36Å; F778-Y797 HydrophobicContact CZ-CD2 3.36Å; F778-Y797 AromaticContact CZ-CE2 3.89Å; F778-Y797 HydrophobicContact CZ-CE2 3.89Å; F778-Y797 AromaticContact CZ-CG 3.62Å; F778-Y797 HydrophobicContact CZ-CG 3.62Å; Y797-A799 HydrophobicContact CE1-CB 4.09Å; Y797-I812 HydrophobicContact CD2-CD1 3.94Å; Y797-I812 HydrophobicContact CE2-CD1 4.17Å; Y797-I812 HydrophobicContact CE2-CG1 4.25Å; Y797-P862 WeakPolarHBondContact O-CA 3.32Å; Y797-G863 PolarHBondContact N-O 3.44Å; Y797-G863 PolarHBondContact O-N 3.34Å; Y797-N865 WeakPolarHBondContact CB-ND2 3.32Å
798	K	58.1	Low	57.9	Low	150 Å²	150	83.3 Å²	83.3	65%	0.652	48%	0.484	S	S	*	.			trans	-107.8	120.7	164.1	-69	-172.5	177.4	-174.7	0	108.5	F778 L796 Q800	F778-K798 HydrophobicContact CE1-CB 4.43Å; F778-K798 VanDerWaalsContact CE1-N 3.32Å; L796-K798 HydrophobicContact CD2-CG 4.41Å; L796-K798 HydrophobicContact CG-CG 4.36Å; L796-K798 PolarHBondContact O-N 3.31Å; K798-Q800 PolarHBondContact O-N 3.49Å
799	A	54.9	Low	57.2	Low	58 Å²	58	83.3 Å²	83.3	48%	0.479	48%	0.484	S	S	.	.			trans	-68.2	127	164.2	0	0	0	0	0	108.4	Y797 P862	Y797-A799 HydrophobicContact CE1-CB 4.09Å; A799-P862 HydrophobicContact CB-CB 4.36Å
800	Q	53.7	Low	56.7	Low	139 Å²	139	81.4 Å²	81.4	65%	0.65	47%	0.472	S	S	*	.			trans	-71.3	148.9	161	-78.3	-171.8	-14.8	0	0	109.4	K798 Q802	K798-Q800 PolarHBondContact O-N 3.49Å; Q800-Q802 PolarHBondContact O-N 2.98Å; Q800-Q802 VanDerWaalsContact O-N 3.08Å
801	P	47.7	Very low	56.3	Low	128 Å²	128	78.1 Å²	78.1	83%	0.831	46%	0.456	S	S	*	.			trans	-66.3	106.6	167.3	28.7	-32.4	0	0	0	108.6
802	Q	47.4	Very low	55.8	Low	70 Å²	70	77.4 Å²	77.4	33%	0.327	45%	0.453	S	S	.	.			trans	-66.4	139.1	172.3	-66.5	-77.9	82.5	0	0	109.1	Q800 S806 R887	Q800-Q802 PolarHBondContact O-N 2.98Å; Q800-Q802 VanDerWaalsContact O-N 3.08Å; Q802-S806 WeakPolarHBondContact CB-OG 3.42Å; Q802-S806 WeakPolarHBondContact CG-OG 3.46Å; Q802-S806 PolarHBondContact NE2-OG 3.16Å; Q802-R887 VanDerWaalsContact OE1-NH2 3.09Å
803	P	43.1	Very low	55.6	Low	106 Å²	106	73.6 Å²	73.6	69%	0.688	43%	0.426	S	S	*	.			trans	-62.9	147.8	166.2	28.4	-33.8	0	0	0	110.2	G805	P803-G805 PolarHBondContact O-N 2.87Å
804	E	37.3	Very low	55.5	Low	210 Å²	210	73.2 Å²	73.2	98%	0.981	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	104.4	-174.7	-61.6	-170.7	148.9	0	0	111.2
805	G	45.9	Very low	55.6	Low	78 Å²	78	67.6 Å²	67.6	80%	0.804	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	147.2	-19.3	178.9	0	0	0	0	0	115.7	P803	P803-G805 PolarHBondContact O-N 2.87Å
806	S	42.6	Very low	55.9	Low	47 Å²	47	66 Å²	66	33%	0.329	39%	0.391	S	S	.	.			trans	-66.3	135.6	-179.8	74.2	0	0	0	0	112.6	Q802	Q802-S806 WeakPolarHBondContact CB-OG 3.42Å; Q802-S806 WeakPolarHBondContact CG-OG 3.46Å; Q802-S806 PolarHBondContact NE2-OG 3.16Å
807	T	45.6	Very low	56.3	Low	80 Å²	80	61.5 Å²	61.5	49%	0.491	37%	0.368	S	S	.	.			trans	-62.1	147.4	174.1	44.2	0	0	0	0	112.3	G809 Q889	T807-G809 PolarHBondContact O-N 2.77Å; T807-Q889 PolarHBondContact OG1-NE2 2.69Å
808	P	46.4	Very low	56.9	Low	132 Å²	132	64.3 Å²	64.3	86%	0.857	38%	0.381	S	S	*	.	S	Bend	trans	-77.2	62.8	179.6	33.2	-36.6	0	0	0	111.9
809	G	52.1	Low	57.6	Low	18 Å²	18	57.2 Å²	57.2	19%	0.186	35%	0.35	C	S	.	.			trans	-127	5	-171.5	0	0	0	0	0	116.3	T807 G811	T807-G809 PolarHBondContact O-N 2.77Å; G809-G811 PolarHBondContact O-N 3.25Å
810	S	57.6	Low	58.4	Low	24 Å²	24	57.1 Å²	57.1	17%	0.168	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	113.6	179.9	67.7	0	0	0	0	112
811	G	62.1	Low	59.1	Low	5 Å²	5	51.2 Å²	51.2	5%	0.052	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-179.2	173.8	0	0	0	0	0	113.4	G809 Y856 V888	G809-G811 PolarHBondContact O-N 3.25Å; G811-Y856 WeakPolarHBondContact CA-OH 3.46Å; G811-V888 PolarHBondContact N-O 2.73Å; G811-V888 PolarHBondContact O-N 2.61Å
812	I	66.8	Low	59.8	Low	10 Å²	10	50.1 Å²	50.1	5%	0.051	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.1	169.5	-52.6	176	0	0	0	107.2	F795 Y797 S857 A885	F795-I812 HydrophobicContact CE2-CD1 3.79Å; F795-I812 HydrophobicContact CZ-CD1 3.76Å; Y797-I812 HydrophobicContact CD2-CD1 3.94Å; Y797-I812 HydrophobicContact CE2-CD1 4.17Å; Y797-I812 HydrophobicContact CE2-CG1 4.25Å; I812-S857 PolarHBondContact O-N 2.77Å; I812-A885 HydrophobicContact CG2-CB 4.12Å
813	L	69.1	Low	60.5	Low	6 Å²	6	54.7 Å²	54.7	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.3	169.4	-169.3	61.1	0	0	0	108.4	F767 F815 L850 F854 Y856 Y886 V888	F767-L813 HydrophobicContact CZ-CD2 4.33Å; L813-F815 HydrophobicContact CB-CE2 3.88Å; L813-F815 HydrophobicContact CD2-CE1 4.37Å; L813-F815 HydrophobicContact CD2-CE2 3.67Å; L813-F815 HydrophobicContact CD2-CZ 3.46Å; L813-F815 VanDerWaalsContact CD2-CZ 3.46Å; L813-F815 HydrophobicContact CG-CD2 4.31Å; L813-F815 HydrophobicContact CG-CE2 3.6Å; L813-F815 HydrophobicContact CG-CZ 3.89Å; L813-F815 WeakPolarHBondContact O-CD2 3.38Å; L813-L850 HydrophobicContact CD1-CD1 3.97Å; L813-F854 HydrophobicContact CD1-CB 3.72Å; L813-F854 HydrophobicContact CD1-CG 4.41Å; L813-F854 HydrophobicContact CG-CB 4.34Å; L813-Y856 HydrophobicContact CB-CD2 4.45Å; L813-Y856 HydrophobicContact CD1-CD2 4.01Å; L813-Y856 HydrophobicContact CD1-CG 4.44Å; L813-Y886 PolarHBondContact N-O 3.44Å; L813-Y886 PolarHBondContact O-N 3.08Å; L813-V888 HydrophobicContact CB-CB 4.32Å; L813-V888 HydrophobicContact CB-CG2 3.65Å; L813-V888 HydrophobicContact CD2-CG2 3.78Å; L813-V888 HydrophobicContact CG-CG2 4.37Å
814	L	70.8	Confident	61.7	Low	8 Å²	8	55.5 Å²	55.5	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123	-179	-170.8	72.1	0	0	0	109.5	I816 V838 I855 L867 I869 I883 A885	L814-I816 HydrophobicContact CD2-CD1 4.27Å; L814-I816 HydrophobicContact CG-CG1 4.36Å; L814-V838 HydrophobicContact CD2-CG2 4.36Å; L814-I855 HydrophobicContact CB-CB 4.32Å; L814-I855 VanDerWaalsContact CB-O 3.29Å; L814-I855 WeakPolarHBondContact CB-O 3.41Å; L814-I855 PolarHBondContact N-O 3.15Å; L814-I855 PolarHBondContact O-N 3.03Å; L814-I855 VanDerWaalsContact O-N 3.15Å; L814-L867 HydrophobicContact CD1-CD2 3.75Å; L814-L867 HydrophobicContact CD2-CD1 3.95Å; L814-L867 HydrophobicContact CD2-CD2 4.21Å; L814-I869 HydrophobicContact CD2-CD1 3.78Å; L814-I883 HydrophobicContact CD1-CG2 3.66Å; L814-I883 HydrophobicContact CG-CG2 4.35Å; L814-A885 HydrophobicContact CD1-CB 4.1Å
815	F	72.2	Confident	63.4	Low	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132	179.3	-66.4	-100.9	0	0	0	108.9	I763 F767 L813 F817 L829 F854 I883 G884 Y886	I763-F815 HydrophobicContact CD1-CD1 4.1Å; I763-F815 HydrophobicContact CD1-CE1 4.27Å; I763-F815 HydrophobicContact CD1-CG 4.22Å; I763-F815 HydrophobicContact CG1-CD1 4.01Å; I763-F815 HydrophobicContact CG1-CE1 4.05Å; F767-F815 AromaticContact CE2-CE1 3.62Å; F767-F815 HydrophobicContact CE2-CE1 3.62Å; F767-F815 AromaticContact CE2-CZ 3.62Å; F767-F815 HydrophobicContact CE2-CZ 3.62Å; F767-F815 HydrophobicContact CZ-CE1 4.08Å; F767-F815 AromaticContact CZ-CZ 3.95Å; F767-F815 HydrophobicContact CZ-CZ 3.95Å; L813-F815 HydrophobicContact CB-CE2 3.88Å; L813-F815 HydrophobicContact CD2-CE1 4.37Å; L813-F815 HydrophobicContact CD2-CE2 3.67Å; L813-F815 HydrophobicContact CD2-CZ 3.46Å; L813-F815 VanDerWaalsContact CD2-CZ 3.46Å; L813-F815 HydrophobicContact CG-CD2 4.31Å; L813-F815 HydrophobicContact CG-CE2 3.6Å; L813-F815 HydrophobicContact CG-CZ 3.89Å; L813-F815 WeakPolarHBondContact O-CD2 3.38Å; F815-F817 HydrophobicContact CB-CD2 4.46Å; F815-F817 HydrophobicContact CB-CE2 3.55Å; F815-F817 HydrophobicContact CB-CZ 3.65Å; F815-F817 HydrophobicContact CD1-CZ 4.18Å; F815-F817 HydrophobicContact CG-CZ 4.26Å; F815-L829 HydrophobicContact CD1-CD2 4.05Å; F815-F854 AromaticContact CD1-CD1 3.54Å; F815-F854 HydrophobicContact CD1-CD1 3.54Å; F815-F854 AromaticContact CD1-CE1 3.46Å; F815-F854 HydrophobicContact CD1-CE1 3.46Å; F815-F854 VanDerWaalsContact CD1-CE1 3.46Å; F815-F854 AromaticContact CE1-CD1 3.49Å; F815-F854 HydrophobicContact CE1-CD1 3.49Å; F815-F854 VanDerWaalsContact CE1-CD1 3.49Å; F815-F854 AromaticContact CE1-CE1 3.26Å; F815-F854 HydrophobicContact CE1-CE1 3.26Å; F815-F854 HydrophobicContact CE1-CZ 4.13Å; F815-F854 HydrophobicContact CG-CD1 4.34Å; F815-F854 HydrophobicContact CZ-CD1 4.27Å; F815-F854 HydrophobicContact CZ-CE1 4.31Å; F815-I883 WeakPolarHBondContact O-CA 3.25Å; F815-G884 PolarHBondContact N-O 2.71Å; F815-G884 PolarHBondContact O-N 2.97Å; F815-G884 VanDerWaalsContact O-O 3.07Å; F815-Y886 AromaticContact CD2-CD2 3.55Å; F815-Y886 HydrophobicContact CD2-CD2 3.55Å; F815-Y886 HydrophobicContact CD2-CE2 4.2Å; F815-Y886 HydrophobicContact CD2-CG 4.39Å; F815-Y886 AromaticContact CE2-CD2 3.73Å; F815-Y886 HydrophobicContact CE2-CD2 3.73Å; F815-Y886 HydrophobicContact CE2-CG 4.14Å; F815-Y886 HydrophobicContact CG-CD2 4.4Å
816	I	72.6	Confident	64.7	Low	8 Å²	8	46.9 Å²	46.9	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.8	179	-51.4	176	0	0	0	106	L814 C830 V835 I855 I869 L881 L882 I883	L814-I816 HydrophobicContact CD2-CD1 4.27Å; L814-I816 HydrophobicContact CG-CG1 4.36Å; I816-C830 HydrophobicContact CB-CB 4.34Å; I816-C830 HydrophobicContact CG2-CB 4.33Å; I816-C830 WeakPolarHBondContact O-CB 3.48Å; I816-C830 PolarHBondContact O-N 3.33Å; I816-C830 PolarHBondContact O-SG 2.74Å; I816-V835 HydrophobicContact CD1-CG2 3.5Å; I816-I855 HydrophobicContact CD1-CD1 3.99Å; I816-I869 HydrophobicContact CD1-CD1 3.87Å; I816-L881 HydrophobicContact CG2-CB 4.4Å; I816-L881 HydrophobicContact CG2-CD1 4.13Å; I816-L882 WeakPolarHBondContact CA-O 3.46Å; I816-I883 HydrophobicContact CG1-CG1 4.38Å; I816-I883 HydrophobicContact CG2-CG1 4.28Å
817	F	73.1	Confident	66.2	Low	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.9	-175.3	-46	-101.1	0	0	0	110.2	I763 F815 A819 A827 R828 L829 L881 L882	I763-F817 HydrophobicContact CD1-CZ 3.94Å; I763-F817 HydrophobicContact CG1-CE1 4.26Å; I763-F817 HydrophobicContact CG1-CZ 3.84Å; F815-F817 HydrophobicContact CB-CD2 4.46Å; F815-F817 HydrophobicContact CB-CE2 3.55Å; F815-F817 HydrophobicContact CB-CZ 3.65Å; F815-F817 HydrophobicContact CD1-CZ 4.18Å; F815-F817 HydrophobicContact CG-CZ 4.26Å; F817-A819 PolarHBondContact O-N 2.73Å; F817-A827 HydrophobicContact CB-CB 3.97Å; F817-A827 HydrophobicContact CD1-CB 4.35Å; F817-A827 HydrophobicContact CG-CB 4.32Å; F817-R828 CarbonylContact C-O 3.2Å; F817-R828 WeakPolarHBondContact CA-O 3.47Å; F817-R828 WeakPolarHBondContact CB-O 3.45Å; F817-L829 HydrophobicContact CD1-CD2 3.61Å; F817-L829 HydrophobicContact CD1-CG 4Å; F817-L829 HydrophobicContact CE1-CD2 3.41Å; F817-L829 VanDerWaalsContact CE1-CD2 3.41Å; F817-L829 HydrophobicContact CE1-CG 4Å; F817-L829 HydrophobicContact CG-CD2 4.46Å; F817-L829 HydrophobicContact CZ-CD2 4.12Å; F817-L881 WeakPolarHBondContact O-CA 3.41Å; F817-L882 HydrophobicContact CB-CB 4.28Å; F817-L882 HydrophobicContact CD2-CB 4.36Å; F817-L882 HydrophobicContact CD2-CD2 4.22Å; F817-L882 HydrophobicContact CD2-CG 4.11Å; F817-L882 WeakPolarHBondContact CD2-O 3.42Å; F817-L882 PolarHBondContact N-O 3.05Å; F817-L882 PolarHBondContact O-N 3.04Å
818	H	75.1	Confident	67.5	Low	74 Å²	74	50 Å²	50	34%	0.343	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	109.3	159.4	-69	-61.8	0	0	0	107.9	A827 R828 C830 V879 L881	H818-A827 CarbonylContact O-C 3.54Å; H818-A827 WeakPolarHBondContact O-CA 3.3Å; H818-R828 PolarHBondContact N-O 2.85Å; H818-R828 PolarHBondContact O-N 3.13Å; H818-C830 PolarHBondContact CD2-SG 3.04Å; H818-C830 PolarHBondContact N-SG 3.32Å; H818-C830 PolarHBondContact NE2-SG 2.89Å; H818-V879 HydrophobicContact CB-CG1 3.76Å; H818-L881 VanDerWaalsContact ND1-CD2 3.34Å; H818-L881 WeakPolarHBondContact ND1-CD2 3.3Å
819	A	72.9	Confident	68.6	Low	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.1	174.6	0	0	0	0	0	109.7	F817 F821 I826 K880 L882	F817-A819 PolarHBondContact O-N 2.73Å; A819-F821 HydrophobicContact CB-CD2 4.23Å; A819-F821 HydrophobicContact CB-CE2 3.45Å; A819-F821 VanDerWaalsContact CB-CE2 3.45Å; A819-F821 HydrophobicContact CB-CZ 3.99Å; A819-I826 WeakPolarHBondContact CA-O 3.26Å; A819-K880 PolarHBondContact N-O 3.18Å; A819-K880 PolarHBondContact O-N 2.96Å; A819-L882 HydrophobicContact CB-CB 4.09Å
820	N	73	Confident	69.3	Low	57 Å²	57	44.4 Å²	44.4	31%	0.305	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	142.4	161	-174	12.3	0	0	0	108.3	L822 E824 I825 I826	N820-L822 WeakPolarHBondContact OD1-CB 3.47Å; N820-L822 WeakPolarHBondContact OD1-CG 3.39Å; N820-L822 PolarHBondContact OD1-N 3.37Å; N820-E824 VanDerWaalsContact O-O 3.14Å; N820-I825 WeakPolarHBondContact O-CA 3.28Å; N820-I826 PolarHBondContact N-O 2.88Å; N820-I826 PolarHBondContact O-N 3.44Å
821	F	68.8	Low	69.4	Low	15 Å²	15	44.3 Å²	44.3	7%	0.066	22%	0.221	C	C	.	.			trans	-118.8	-2.2	179.1	-71.7	-97.2	0	0	0	112.9	E717 H751 L755 L785 A819 N823 I825 K880	E717-F821 WeakPolarHBondContact O-CB 3.49Å; H751-F821 AromaticContact NE2-CE1 3.73Å; L755-F821 HydrophobicContact CD2-CE1 3.95Å; L755-F821 HydrophobicContact CD2-CZ 3.97Å; L785-F821 HydrophobicContact CD1-CE1 3.96Å; L785-F821 HydrophobicContact CD1-CE2 4.34Å; L785-F821 HydrophobicContact CD1-CZ 3.59Å; L785-F821 HydrophobicContact CD2-CE2 4.1Å; L785-F821 HydrophobicContact CD2-CZ 3.58Å; L785-F821 HydrophobicContact CG-CZ 4.25Å; A819-F821 HydrophobicContact CB-CD2 4.23Å; A819-F821 HydrophobicContact CB-CE2 3.45Å; A819-F821 VanDerWaalsContact CB-CE2 3.45Å; A819-F821 HydrophobicContact CB-CZ 3.99Å; F821-N823 PolarHBondContact O-N 2.94Å; F821-I825 HydrophobicContact CD1-CD1 4.04Å; F821-I825 HydrophobicContact CD1-CG1 3.86Å; F821-I825 HydrophobicContact CD1-CG2 4.34Å; F821-I825 HydrophobicContact CE1-CD1 3.92Å; F821-I825 HydrophobicContact CE1-CG1 4.1Å; F821-I825 HydrophobicContact CE1-CG2 3.97Å; F821-I825 HydrophobicContact CZ-CG2 4.3Å; F821-K880 HydrophobicContact CD2-CB 4.35Å; F821-K880 HydrophobicContact CE2-CB 4.1Å
822	L	62.3	Low	69.3	Low	105 Å²	105	46.7 Å²	46.7	55%	0.55	24%	0.235	S	C	.	.	S	Bend	trans	-70.6	114.3	178.2	-64.3	170.8	0	0	0	110	N820 E824	N820-L822 WeakPolarHBondContact OD1-CB 3.47Å; N820-L822 WeakPolarHBondContact OD1-CG 3.39Å; N820-L822 PolarHBondContact OD1-N 3.37Å; L822-E824 PolarHBondContact O-N 3.27Å
823	N	61.1	Low	68.5	Low	166 Å²	166	51.1 Å²	51.1	89%	0.888	27%	0.266	S	S	*	.	S	Bend	trans	64.6	-52.1	-173.9	-53.6	-16.7	0	0	0	114.4	F821	F821-N823 PolarHBondContact O-N 2.94Å
824	E	68	Low	68.2	Low	123 Å²	123	51.4 Å²	51.4	58%	0.575	27%	0.269	S	S	*	.	S	Bend	trans	-130.8	147.8	180	-63.6	-166.8	143.8	0	0	111.7	N820 L822 I826	N820-E824 VanDerWaalsContact O-O 3.14Å; L822-E824 PolarHBondContact O-N 3.27Å; E824-I826 HydrophobicContact CB-CG1 4.29Å; E824-I826 PolarHBondContact O-N 3.35Å
825	I	73.7	Confident	68	Low	17 Å²	17	51.5 Å²	51.5	9%	0.087	27%	0.27	C	S	.	.			trans	-83.8	99.5	177.1	-54.4	-176.9	0	0	0	107.1	K754 L755 V758 N820 F821	K754-I825 HydrophobicContact CB-CD1 4.33Å; K754-I825 HydrophobicContact CD-CD1 3.89Å; K754-I825 HydrophobicContact CD-CG1 4.14Å; K754-I825 HydrophobicContact CG-CD1 3.99Å; K754-I825 HydrophobicContact CG-CG1 4.48Å; L755-I825 HydrophobicContact CD2-CD1 4.49Å; L755-I825 HydrophobicContact CD2-CG2 4.27Å; V758-I825 HydrophobicContact CG1-CG2 4.3Å; V758-I825 HydrophobicContact CG2-CB 4.4Å; V758-I825 HydrophobicContact CG2-CG2 4.43Å; V758-I825 WeakPolarHBondContact CG2-O 3.49Å; N820-I825 WeakPolarHBondContact O-CA 3.28Å; F821-I825 HydrophobicContact CD1-CD1 4.04Å; F821-I825 HydrophobicContact CD1-CG1 3.86Å; F821-I825 HydrophobicContact CD1-CG2 4.34Å; F821-I825 HydrophobicContact CE1-CD1 3.92Å; F821-I825 HydrophobicContact CE1-CG1 4.1Å; F821-I825 HydrophobicContact CE1-CG2 3.97Å; F821-I825 HydrophobicContact CZ-CG2 4.3Å
826	I	73.4	Confident	67.7	Low	89 Å²	89	57.2 Å²	57.2	46%	0.456	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109.5	177.8	-57.4	176.6	0	0	0	107.8	A819 N820 E824 R828	A819-I826 WeakPolarHBondContact CA-O 3.26Å; N820-I826 PolarHBondContact N-O 2.88Å; N820-I826 PolarHBondContact O-N 3.44Å; E824-I826 HydrophobicContact CB-CG1 4.29Å; E824-I826 PolarHBondContact O-N 3.35Å; I826-R828 HydrophobicContact CG2-CG 4.41Å
827	A	73.8	Confident	67.4	Low	6 Å²	6	57.7 Å²	57.7	5%	0.05	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	141.7	171.6	0	0	0	0	0	110.7	V758 T762 F817 H818 L882	V758-A827 HydrophobicContact CG1-CB 3.58Å; T762-A827 HydrophobicContact CG2-CB 4.3Å; T762-A827 WeakPolarHBondContact CG2-O 3.37Å; F817-A827 HydrophobicContact CB-CB 3.97Å; F817-A827 HydrophobicContact CD1-CB 4.35Å; F817-A827 HydrophobicContact CG-CB 4.32Å; H818-A827 CarbonylContact O-C 3.54Å; H818-A827 WeakPolarHBondContact O-CA 3.3Å; A827-L882 HydrophobicContact CB-CD2 4.36Å
828	R	73	Confident	67.2	Low	187 Å²	187	57.8 Å²	57.8	71%	0.706	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	139.6	170.6	-60.1	-176.4	70	151.9	2.9	108.6	F817 H818 I826 C830	F817-R828 CarbonylContact C-O 3.2Å; F817-R828 WeakPolarHBondContact CA-O 3.47Å; F817-R828 WeakPolarHBondContact CB-O 3.45Å; H818-R828 PolarHBondContact N-O 2.85Å; H818-R828 PolarHBondContact O-N 3.13Å; I826-R828 HydrophobicContact CG2-CG 4.41Å; R828-C830 PolarHBondContact O-N 3.16Å
829	L	69.7	Low	66.8	Low	29 Å²	29	54.9 Å²	54.9	15%	0.152	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	138.4	-179.6	-73.4	164.1	0	0	0	111.9	Y766 F815 F817 H853 F854	Y766-L829 HydrophobicContact CD2-CD1 3.46Å; Y766-L829 VanDerWaalsContact CD2-CD1 3.46Å; Y766-L829 HydrophobicContact CE2-CD1 3.98Å; Y766-L829 HydrophobicContact CG-CD1 4.04Å; F815-L829 HydrophobicContact CD1-CD2 4.05Å; F817-L829 HydrophobicContact CD1-CD2 3.61Å; F817-L829 HydrophobicContact CD1-CG 4Å; F817-L829 HydrophobicContact CE1-CD2 3.41Å; F817-L829 VanDerWaalsContact CE1-CD2 3.41Å; F817-L829 HydrophobicContact CE1-CG 4Å; F817-L829 HydrophobicContact CG-CD2 4.46Å; F817-L829 HydrophobicContact CZ-CD2 4.12Å; L829-H853 HydrophobicContact CB-CB 3.99Å; L829-H853 HydrophobicContact CD1-CB 4.14Å; L829-F854 HydrophobicContact CD1-CE1 3.73Å; L829-F854 HydrophobicContact CD1-CZ 3.9Å; L829-F854 HydrophobicContact CD2-CD1 4.34Å; L829-F854 HydrophobicContact CD2-CE1 3.72Å; L829-F854 HydrophobicContact CG-CE1 4.38Å
830	C	66.6	Low	66.5	Low	4 Å²	4	55.2 Å²	55.2	3%	0.027	29%	0.291	C	S	.	.			trans	-75.1	141.1	174.2	-69.1	0	0	0	0	111	I816 H818 R828 S834 H853	I816-C830 HydrophobicContact CB-CB 4.34Å; I816-C830 HydrophobicContact CG2-CB 4.33Å; I816-C830 WeakPolarHBondContact O-CB 3.48Å; I816-C830 PolarHBondContact O-N 3.33Å; I816-C830 PolarHBondContact O-SG 2.74Å; H818-C830 PolarHBondContact CD2-SG 3.04Å; H818-C830 PolarHBondContact N-SG 3.32Å; H818-C830 PolarHBondContact NE2-SG 2.89Å; R828-C830 PolarHBondContact O-N 3.16Å; C830-S834 WeakPolarHBondContact CB-OG 3.34Å; C830-H853 WeakPolarHBondContact O-CA 3.46Å; C830-H853 PolarHBondContact O-ND1 3.18Å
831	G	60.2	Low	66.2	Low	21 Å²	21	53.8 Å²	53.8	22%	0.216	28%	0.283	C	S	.	.			trans	-66.1	177	162.2	0	0	0	0	0	112.3	C833 S834 S852	G831-C833 PolarHBondContact O-N 2.62Å; G831-C833 VanDerWaalsContact O-N 3.08Å; G831-S834 PolarHBondContact O-N 3.36Å; G831-S852 CarbonylContact C-O 3.48Å; G831-S852 WeakPolarHBondContact CA-O 3.48Å
832	P	58.8	Low	66	Low	55 Å²	55	58.7 Å²	58.7	36%	0.357	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-64.7	-18.1	172.2	33	-35.5	0	0	0	111	S834 V835 F849 S852	P832-S834 PolarHBondContact O-N 2.83Å; P832-V835 PolarHBondContact O-N 2.89Å; P832-F849 HydrophobicContact CB-CD1 4.1Å; P832-F849 HydrophobicContact CB-CE1 3.68Å; P832-F849 HydrophobicContact CB-CE2 4.3Å; P832-F849 HydrophobicContact CB-CZ 3.79Å; P832-S852 WeakPolarHBondContact CD-O 3.48Å
833	C	50.3	Low	66	Low	104 Å²	104	59.7 Å²	59.7	70%	0.703	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-51.7	-19	178	-49.8	0	0	0	0	114.9	G831 A872	G831-C833 PolarHBondContact O-N 2.62Å; G831-C833 VanDerWaalsContact O-N 3.08Å; C833-A872 WeakPolarHBondContact O-CB 3.16Å
834	S	62.9	Low	66	Low	11 Å²	11	59.9 Å²	59.9	8%	0.077	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-102.6	-1.7	-178.3	79.3	0	0	0	0	115.2	C830 G831 P832 L871 A872	C830-S834 WeakPolarHBondContact CB-OG 3.34Å; G831-S834 PolarHBondContact O-N 3.36Å; P832-S834 PolarHBondContact O-N 2.83Å; S834-L871 WeakPolarHBondContact O-CA 3.25Å; S834-L871 WeakPolarHBondContact O-CB 3.45Å; S834-L871 WeakPolarHBondContact O-CD2 3.27Å; S834-A872 PolarHBondContact O-N 3.12Å
835	V	66.8	Low	65.8	Low	11 Å²	11	55.7 Å²	55.7	7%	0.067	28%	0.284	C	S	.	.			trans	-137.5	122.5	-177.2	179.8	0	0	0	0	113.9	I816 P832 V838 I855 I869 L871	I816-V835 HydrophobicContact CD1-CG2 3.5Å; P832-V835 PolarHBondContact O-N 2.89Å; V835-V838 HydrophobicContact CG1-CG2 3.97Å; V835-I855 HydrophobicContact CB-CD1 3.83Å; V835-I855 HydrophobicContact CG1-CD1 3.64Å; V835-I855 HydrophobicContact CG2-CD1 3.93Å; V835-I869 HydrophobicContact CB-CG2 4.28Å; V835-I869 HydrophobicContact CG1-CG2 3.67Å; V835-I869 HydrophobicContact CG2-CG2 3.65Å; V835-L871 HydrophobicContact CG2-CD2 4.36Å
836	H	65.6	Low	65.1	Low	119 Å²	119	62.3 Å²	62.3	55%	0.551	32%	0.319	S	S	*	.	S	Bend	trans	-83.8	-37.7	173.2	-84	134.5	0	0	0	114.2	R870 L871 A872	H836-R870 HydrophobicContact CB-CB 4.35Å; H836-R870 HydrophobicContact CB-CG 4.15Å; H836-R870 PolarHBondContact N-O 3.43Å; H836-L871 PolarHBondContact ND1-O 3.27Å; H836-A872 VanDerWaalsContact CE1-CA 3.42Å; H836-A872 WeakPolarHBondContact CE1-CA 3.31Å; H836-A872 WeakPolarHBondContact ND1-CA 3.23Å
837	A	67.2	Low	64.5	Low	19 Å²	19	58.8 Å²	58.8	16%	0.157	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	144.1	-170.2	0	0	0	0	0	112	I869 R870	A837-I869 WeakPolarHBondContact O-CA 3.43Å; A837-R870 PolarHBondContact O-N 2.94Å
838	V	68.1	Low	63.9	Low	1 Å²	1	62.7 Å²	62.7	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	109.8	169.4	170.4	0	0	0	0	109.5	L814 V835 L840 Q845 P847 I855 L867 F868 I869	L814-V838 HydrophobicContact CD2-CG2 4.36Å; V835-V838 HydrophobicContact CG1-CG2 3.97Å; V838-L840 HydrophobicContact CG1-CG 4.34Å; V838-Q845 PolarHBondContact O-N 2.78Å; V838-P847 HydrophobicContact CG2-CB 4.46Å; V838-I855 HydrophobicContact CB-CG2 4.33Å; V838-I855 HydrophobicContact CG2-CD1 3.72Å; V838-I855 HydrophobicContact CG2-CG2 3.99Å; V838-L867 HydrophobicContact CG1-CD1 3.75Å; V838-F868 WeakPolarHBondContact CA-O 3.14Å; V838-I869 HydrophobicContact CG2-CG1 4.42Å
839	V	66.4	Low	63.5	Low	14 Å²	14	57.9 Å²	57.9	9%	0.085	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.9	170.9	-170.6	0	0	0	0	107.8	K843 F844 L867 F868	V839-K843 WeakPolarHBondContact CG1-O 3Å; V839-F844 HydrophobicContact CG2-CD1 3.94Å; V839-F844 HydrophobicContact CG2-CD2 4.43Å; V839-F844 HydrophobicContact CG2-CE1 3.83Å; V839-F844 HydrophobicContact CG2-CE2 4.33Å; V839-F844 HydrophobicContact CG2-CG 4.24Å; V839-F844 HydrophobicContact CG2-CZ 4.04Å; V839-L867 WeakPolarHBondContact O-CA 3.15Å; V839-F868 HydrophobicContact CB-CB 3.99Å; V839-F868 HydrophobicContact CG2-CB 4.13Å; V839-F868 HydrophobicContact CG2-CD1 4.21Å; V839-F868 PolarHBondContact N-O 3.17Å; V839-F868 VanDerWaalsContact N-O 3.09Å; V839-F868 PolarHBondContact O-N 3.32Å; V839-F868 VanDerWaalsContact O-N 3.16Å
840	L	67.3	Low	63	Low	6 Å²	6	60.8 Å²	60.8	3%	0.031	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.7	166.9	-77.3	-166.5	0	0	0	110.4	F795 V838 D842 K843 S857 K866 L867	F795-L840 HydrophobicContact CE1-CD2 4.01Å; F795-L840 HydrophobicContact CZ-CD2 4.24Å; V838-L840 HydrophobicContact CG1-CG 4.34Å; L840-D842 VanDerWaalsContact C-N 3.29Å; L840-D842 PolarHBondContact O-N 2.86Å; L840-K843 PolarHBondContact N-O 2.79Å; L840-K843 VanDerWaalsContact N-O 3.16Å; L840-K843 PolarHBondContact O-N 2.89Å; L840-K843 VanDerWaalsContact O-N 3.11Å; L840-S857 WeakPolarHBondContact CD1-OG 3.47Å; L840-K866 WeakPolarHBondContact CA-O 3.15Å; L840-L867 HydrophobicContact CD2-CB 3.99Å; L840-L867 HydrophobicContact CD2-CD1 4.01Å
841	N	66.4	Low	62.6	Low	27 Å²	27	63.7 Å²	63.7	14%	0.144	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	44.2	-178.4	-67	-51.3	0	0	0	113.3	K843 S859 I861 N865 K866	N841-K843 PolarHBondContact O-N 3.11Å; N841-S859 VanDerWaalsContact ND2-CB 3.32Å; N841-S859 WeakPolarHBondContact ND2-CB 3.47Å; N841-S859 PolarHBondContact ND2-OG 3.19Å; N841-I861 HydrophobicContact CB-CD1 4.15Å; N841-N865 PolarHBondContact ND2-OD1 2.69Å; N841-N865 VanDerWaalsContact OD1-CA 3.31Å; N841-N865 WeakPolarHBondContact OD1-CA 3.47Å; N841-N865 PolarHBondContact OD1-ND2 3.36Å; N841-N865 PolarHBondContact OD1-OD1 2.65Å; N841-K866 PolarHBondContact N-O 3.48Å
842	D	63.8	Low	62.7	Low	118 Å²	118	65.2 Å²	65.2	63%	0.631	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	13.7	-177.4	-54.9	-34.9	0	0	0	114.6	L840 K866	L840-D842 VanDerWaalsContact C-N 3.29Å; L840-D842 PolarHBondContact O-N 2.86Å; D842-K866 WeakPolarHBondContact OD1-CD 3.29Å
843	K	63	Low	62.9	Low	126 Å²	126	65.6 Å²	65.6	55%	0.548	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.9	170	-66.3	174.1	-177.2	175.2	0	108.7	V839 L840 N841 Q845	V839-K843 WeakPolarHBondContact CG1-O 3Å; L840-K843 PolarHBondContact N-O 2.79Å; L840-K843 VanDerWaalsContact N-O 3.16Å; L840-K843 PolarHBondContact O-N 2.89Å; L840-K843 VanDerWaalsContact O-N 3.11Å; N841-K843 PolarHBondContact O-N 3.11Å; K843-Q845 PolarHBondContact O-N 3.37Å; K843-Q845 VanDerWaalsContact O-N 3.13Å
844	F	61.8	Low	63.7	Low	170 Å²	170	61.2 Å²	61.2	75%	0.746	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	116.2	165.7	-84.6	-91.8	0	0	0	109	V839	V839-F844 HydrophobicContact CG2-CD1 3.94Å; V839-F844 HydrophobicContact CG2-CD2 4.43Å; V839-F844 HydrophobicContact CG2-CE1 3.83Å; V839-F844 HydrophobicContact CG2-CE2 4.33Å; V839-F844 HydrophobicContact CG2-CG 4.24Å; V839-F844 HydrophobicContact CG2-CZ 4.04Å
845	Q	62.7	Low	63.8	Low	36 Å²	36	61 Å²	61	17%	0.168	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.2	161.2	-56.6	-162.9	5.4	0	0	106.6	V838 K843 S857 F858	V838-Q845 PolarHBondContact O-N 2.78Å; K843-Q845 PolarHBondContact O-N 3.37Å; K843-Q845 VanDerWaalsContact O-N 3.13Å; Q845-S857 PolarHBondContact OE1-OG 3.22Å; Q845-F858 PolarHBondContact NE2-O 2.92Å
846	L	58.3	Low	63.6	Low	155 Å²	155	61.5 Å²	61.5	81%	0.812	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-66.9	130.1	158.8	-69.8	173.3	0	0	0	105.9	I848	L846-I848 PolarHBondContact O-N 2.98Å; L846-I848 VanDerWaalsContact O-N 3.09Å
847	P	62.7	Low	63.5	Low	16 Å²	16	56 Å²	56	10%	0.104	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-56.8	118.9	-179.9	21.7	-32.3	0	0	0	109.7	V838 F849 I855	V838-P847 HydrophobicContact CG2-CB 4.46Å; P847-F849 HydrophobicContact CB-CE1 4.29Å; P847-F849 HydrophobicContact CB-CE2 4.05Å; P847-F849 HydrophobicContact CB-CZ 3.89Å; P847-F849 HydrophobicContact CG-CD2 4.48Å; P847-F849 HydrophobicContact CG-CE2 3.63Å; P847-F849 HydrophobicContact CG-CZ 3.64Å; P847-F849 WeakPolarHBondContact O-CD2 3.21Å; P847-F849 PolarHBondContact O-N 2.77Å; P847-F849 VanDerWaalsContact O-N 3.08Å; P847-I855 HydrophobicContact CB-CB 4.27Å; P847-I855 HydrophobicContact CB-CD1 3.9Å; P847-I855 HydrophobicContact CB-CG1 3.89Å; P847-I855 HydrophobicContact CB-CG2 3.46Å; P847-I855 VanDerWaalsContact CB-CG2 3.46Å
848	I	59.6	Low	62.9	Low	88 Å²	88	59.3 Å²	59.3	45%	0.451	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	93.4	177.7	-53.6	179.3	0	0	0	106.8	L846 L850 Y856	L846-I848 PolarHBondContact O-N 2.98Å; L846-I848 VanDerWaalsContact O-N 3.09Å; I848-L850 PolarHBondContact O-N 3.34Å; I848-L850 VanDerWaalsContact O-N 3.11Å; I848-Y856 WeakPolarHBondContact CB-O 3.29Å; I848-Y856 PolarHBondContact N-O 3.29Å; I848-Y856 PolarHBondContact O-N 3.13Å
849	F	65.1	Low	62.3	Low	86 Å²	86	59.5 Å²	59.5	38%	0.377	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	102.4	172.8	-61.2	-71.5	0	0	0	109.3	P832 P847 D851 F854 I855	P832-F849 HydrophobicContact CB-CD1 4.1Å; P832-F849 HydrophobicContact CB-CE1 3.68Å; P832-F849 HydrophobicContact CB-CE2 4.3Å; P832-F849 HydrophobicContact CB-CZ 3.79Å; P847-F849 HydrophobicContact CB-CE1 4.29Å; P847-F849 HydrophobicContact CB-CE2 4.05Å; P847-F849 HydrophobicContact CB-CZ 3.89Å; P847-F849 HydrophobicContact CG-CD2 4.48Å; P847-F849 HydrophobicContact CG-CE2 3.63Å; P847-F849 HydrophobicContact CG-CZ 3.64Å; P847-F849 WeakPolarHBondContact O-CD2 3.21Å; P847-F849 PolarHBondContact O-N 2.77Å; P847-F849 VanDerWaalsContact O-N 3.08Å; F849-D851 VanDerWaalsContact C-N 3.27Å; F849-F854 WeakPolarHBondContact CA-O 3.32Å; F849-I855 HydrophobicContact CD1-CG1 4.18Å; F849-I855 HydrophobicContact CE1-CD1 4.29Å; F849-I855 HydrophobicContact CE1-CG1 3.81Å
850	L	59.3	Low	61.6	Low	90 Å²	90	62.2 Å²	62.2	47%	0.471	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-33.4	169.6	-67.3	179.2	0	0	0	111	L813 I848 Y856	L813-L850 HydrophobicContact CD1-CD1 3.97Å; I848-L850 PolarHBondContact O-N 3.34Å; I848-L850 VanDerWaalsContact O-N 3.11Å; L850-Y856 HydrophobicContact CD1-CD2 4.26Å; L850-Y856 HydrophobicContact CD1-CG 3.94Å; L850-Y856 HydrophobicContact CD2-CD1 4.44Å; L850-Y856 HydrophobicContact CG-CG 4.27Å
851	D	59.1	Low	61.2	Low	65 Å²	65	65.1 Å²	65.1	35%	0.348	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	170.4	168.7	-157	-40.5	0	0	0	106.3	Y766 F849 H853 F854	Y766-D851 PolarHBondContact OH-OD2 3.19Å; Y766-D851 VanDerWaalsContact OH-OD2 3.13Å; F849-D851 VanDerWaalsContact C-N 3.27Å; D851-H853 PolarHBondContact O-N 3.13Å; D851-F854 HydrophobicContact CB-CD2 4.21Å; D851-F854 HydrophobicContact CB-CE2 4.45Å; D851-F854 PolarHBondContact O-N 3.49Å
852	S	60.8	Low	61	Low	52 Å²	52	68 Å²	68	36%	0.364	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-15.2	165.6	61.2	0	0	0	0	115.5	G831 P832	G831-S852 CarbonylContact C-O 3.48Å; G831-S852 WeakPolarHBondContact CA-O 3.48Å; P832-S852 WeakPolarHBondContact CD-O 3.48Å
853	H	63.4	Low	61	Low	64 Å²	64	63.6 Å²	63.6	30%	0.296	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-4.9	-172.3	-71	-5.9	0	0	0	116.6	L829 C830 D851	L829-H853 HydrophobicContact CB-CB 3.99Å; L829-H853 HydrophobicContact CD1-CB 4.14Å; C830-H853 WeakPolarHBondContact O-CA 3.46Å; C830-H853 PolarHBondContact O-ND1 3.18Å; D851-H853 PolarHBondContact O-N 3.13Å
854	F	68.3	Low	61.2	Low	11 Å²	11	62.9 Å²	62.9	5%	0.048	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.9	-176.2	-45.4	-62.1	0	0	0	113.3	Y766 F767 L813 F815 L829 F849 D851	Y766-F854 HydrophobicContact CD1-CE2 4.06Å; Y766-F854 AromaticContact CD1-CZ 3.58Å; Y766-F854 HydrophobicContact CD1-CZ 3.58Å; Y766-F854 HydrophobicContact CD2-CZ 4.04Å; Y766-F854 AromaticContact CE1-CE2 3.37Å; Y766-F854 HydrophobicContact CE1-CE2 3.37Å; Y766-F854 AromaticContact CE1-CZ 3.35Å; Y766-F854 HydrophobicContact CE1-CZ 3.35Å; Y766-F854 HydrophobicContact CE2-CE2 4.21Å; Y766-F854 AromaticContact CE2-CZ 3.81Å; Y766-F854 HydrophobicContact CE2-CZ 3.81Å; Y766-F854 AromaticContact CG-CZ 3.93Å; Y766-F854 HydrophobicContact CG-CZ 3.93Å; Y766-F854 AromaticContact CZ-CE2 3.45Å; Y766-F854 VanDerWaalsContact CZ-CE2 3.45Å; Y766-F854 AromaticContact CZ-CZ 3.47Å; Y766-F854 VanDerWaalsContact CZ-CZ 3.47Å; F767-F854 HydrophobicContact CZ-CE2 4.4Å; F767-F854 HydrophobicContact CZ-CZ 4.21Å; L813-F854 HydrophobicContact CD1-CB 3.72Å; L813-F854 HydrophobicContact CD1-CG 4.41Å; L813-F854 HydrophobicContact CG-CB 4.34Å; F815-F854 AromaticContact CD1-CD1 3.54Å; F815-F854 HydrophobicContact CD1-CD1 3.54Å; F815-F854 AromaticContact CD1-CE1 3.46Å; F815-F854 HydrophobicContact CD1-CE1 3.46Å; F815-F854 VanDerWaalsContact CD1-CE1 3.46Å; F815-F854 AromaticContact CE1-CD1 3.49Å; F815-F854 HydrophobicContact CE1-CD1 3.49Å; F815-F854 VanDerWaalsContact CE1-CD1 3.49Å; F815-F854 AromaticContact CE1-CE1 3.26Å; F815-F854 HydrophobicContact CE1-CE1 3.26Å; F815-F854 HydrophobicContact CE1-CZ 4.13Å; F815-F854 HydrophobicContact CG-CD1 4.34Å; F815-F854 HydrophobicContact CZ-CD1 4.27Å; F815-F854 HydrophobicContact CZ-CE1 4.31Å; L829-F854 HydrophobicContact CD1-CE1 3.73Å; L829-F854 HydrophobicContact CD1-CZ 3.9Å; L829-F854 HydrophobicContact CD2-CD1 4.34Å; L829-F854 HydrophobicContact CD2-CE1 3.72Å; L829-F854 HydrophobicContact CG-CE1 4.38Å; F849-F854 WeakPolarHBondContact CA-O 3.32Å; D851-F854 HydrophobicContact CB-CD2 4.21Å; D851-F854 HydrophobicContact CB-CE2 4.45Å; D851-F854 PolarHBondContact O-N 3.49Å
855	I	65.1	Low	61.5	Low	6 Å²	6	54.8 Å²	54.8	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	105.6	167.7	-58.2	174.4	0	0	0	107.8	L814 I816 V835 V838 P847 F849	L814-I855 HydrophobicContact CB-CB 4.32Å; L814-I855 VanDerWaalsContact CB-O 3.29Å; L814-I855 WeakPolarHBondContact CB-O 3.41Å; L814-I855 PolarHBondContact N-O 3.15Å; L814-I855 PolarHBondContact O-N 3.03Å; L814-I855 VanDerWaalsContact O-N 3.15Å; I816-I855 HydrophobicContact CD1-CD1 3.99Å; V835-I855 HydrophobicContact CB-CD1 3.83Å; V835-I855 HydrophobicContact CG1-CD1 3.64Å; V835-I855 HydrophobicContact CG2-CD1 3.93Å; V838-I855 HydrophobicContact CB-CG2 4.33Å; V838-I855 HydrophobicContact CG2-CD1 3.72Å; V838-I855 HydrophobicContact CG2-CG2 3.99Å; P847-I855 HydrophobicContact CB-CB 4.27Å; P847-I855 HydrophobicContact CB-CD1 3.9Å; P847-I855 HydrophobicContact CB-CG1 3.89Å; P847-I855 HydrophobicContact CB-CG2 3.46Å; P847-I855 VanDerWaalsContact CB-CG2 3.46Å; F849-I855 HydrophobicContact CD1-CG1 4.18Å; F849-I855 HydrophobicContact CE1-CD1 4.29Å; F849-I855 HydrophobicContact CE1-CG1 3.81Å
856	Y	61.7	Low	61.9	Low	23 Å²	23	57 Å²	57	9%	0.09	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.6	165.3	-171.8	-119.6	0	0	0	108.5	G811 L813 I848 L850 L890	G811-Y856 WeakPolarHBondContact CA-OH 3.46Å; L813-Y856 HydrophobicContact CB-CD2 4.45Å; L813-Y856 HydrophobicContact CD1-CD2 4.01Å; L813-Y856 HydrophobicContact CD1-CG 4.44Å; I848-Y856 WeakPolarHBondContact CB-O 3.29Å; I848-Y856 PolarHBondContact N-O 3.29Å; I848-Y856 PolarHBondContact O-N 3.13Å; L850-Y856 HydrophobicContact CD1-CD2 4.26Å; L850-Y856 HydrophobicContact CD1-CG 3.94Å; L850-Y856 HydrophobicContact CD2-CD1 4.44Å; L850-Y856 HydrophobicContact CG-CG 4.27Å; Y856-L890 HydrophobicContact CD1-CD1 4.43Å; Y856-L890 HydrophobicContact CE1-CD1 3.83Å; Y856-L890 HydrophobicContact CE2-CD1 4.12Å
857	S	62.6	Low	62.6	Low	3 Å²	3	50 Å²	50	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	116.2	179.3	-170.9	0	0	0	0	109.8	I812 L840 Q845 S859	I812-S857 PolarHBondContact O-N 2.77Å; L840-S857 WeakPolarHBondContact CD1-OG 3.47Å; Q845-S857 PolarHBondContact OE1-OG 3.22Å; S857-S859 PolarHBondContact O-N 3.23Å
858	F	55.3	Low	63	Low	88 Å²	88	52 Å²	52	39%	0.386	28%	0.276	S	S	.	.			trans	-92.3	99.1	-172.7	-166.8	-104.7	0	0	0	109.6	Q845 P860	Q845-F858 PolarHBondContact NE2-O 2.92Å; F858-P860 HydrophobicContact CD1-CG 4.15Å; F858-P860 HydrophobicContact CE1-CB 4.39Å; F858-P860 HydrophobicContact CE1-CG 3.64Å; F858-P860 HydrophobicContact CZ-CB 4.26Å; F858-P860 HydrophobicContact CZ-CG 3.98Å
859	S	55.6	Low	63.7	Low	6 Å²	6	47.9 Å²	47.9	4%	0.042	25%	0.254	C	S	.	.			trans	-132.5	77.6	175.8	-119.4	0	0	0	0	110.3	N841 S857 I861	N841-S859 VanDerWaalsContact ND2-CB 3.32Å; N841-S859 WeakPolarHBondContact ND2-CB 3.47Å; N841-S859 PolarHBondContact ND2-OG 3.19Å; S857-S859 PolarHBondContact O-N 3.23Å; S859-I861 PolarHBondContact O-N 3.03Å
860	P	52.9	Low	64.1	Low	70 Å²	70	49.1 Å²	49.1	46%	0.455	26%	0.257	S	S	.	.			trans	-79	37.6	-173.8	36.3	-40.3	0	0	0	112.7	F858 P862	F858-P860 HydrophobicContact CD1-CG 4.15Å; F858-P860 HydrophobicContact CE1-CB 4.39Å; F858-P860 HydrophobicContact CE1-CG 3.64Å; F858-P860 HydrophobicContact CZ-CB 4.26Å; F858-P860 HydrophobicContact CZ-CG 3.98Å; P860-P862 WeakPolarHBondContact O-CD 3.32Å
861	I	57.1	Low	64.7	Low	68 Å²	68	45.3 Å²	45.3	35%	0.349	24%	0.237	S	C	.	.			trans	-101.6	112.8	-172.8	-52.2	-177	0	0	0	109.7	N841 S859 G863 N865	N841-I861 HydrophobicContact CB-CD1 4.15Å; S859-I861 PolarHBondContact O-N 3.03Å; I861-G863 PolarHBondContact O-N 2.89Å; I861-N865 PolarHBondContact O-ND2 3.36Å; I861-N865 VanDerWaalsContact O-ND2 3.12Å
862	P	62.2	Low	64.9	Low	86 Å²	86	44.6 Å²	44.6	56%	0.558	24%	0.239	S	C	*	.	S	Bend	trans	-64.5	122.4	168.2	27.4	-32.7	0	0	0	110.6	Y797 A799 P860	Y797-P862 WeakPolarHBondContact O-CA 3.32Å; A799-P862 HydrophobicContact CB-CB 4.36Å; P860-P862 WeakPolarHBondContact O-CD 3.32Å
863	G	63.9	Low	65	Low	27 Å²	27	49 Å²	49	28%	0.278	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	149.6	-178.6	-172	0	0	0	0	0	113	Y797 I861 N865	Y797-G863 PolarHBondContact N-O 3.44Å; Y797-G863 PolarHBondContact O-N 3.34Å; I861-G863 PolarHBondContact O-N 2.89Å; G863-N865 PolarHBondContact O-N 3.39Å; G863-N865 PolarHBondContact O-ND2 3.44Å
864	I	67.3	Low	64.7	Low	111 Å²	111	48.8 Å²	48.8	57%	0.569	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	110.8	174.8	-59.3	172	0	0	0	108.1	E794 L796	E794-I864 HydrophobicContact CB-CG2 4.13Å; L796-I864 HydrophobicContact CD1-CG1 4.01Å
865	N	69.6	Low	64.1	Low	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.2	175	-76.8	-123.8	0	0	0	108.6	E794 F795 Y797 N841 I861 G863	E794-N865 WeakPolarHBondContact CA-O 3.5Å; F795-N865 HydrophobicContact CD1-CB 3.95Å; F795-N865 VanDerWaalsContact CD1-O 3.29Å; F795-N865 WeakPolarHBondContact CD1-O 3.49Å; F795-N865 HydrophobicContact CD2-CB 4.11Å; F795-N865 HydrophobicContact CE1-CB 3.47Å; F795-N865 VanDerWaalsContact CE1-CB 3.47Å; F795-N865 HydrophobicContact CE2-CB 3.66Å; F795-N865 HydrophobicContact CG-CB 4.26Å; F795-N865 HydrophobicContact CZ-CB 3.32Å; F795-N865 PolarHBondContact N-O 3.35Å; F795-N865 PolarHBondContact O-N 3.21Å; Y797-N865 WeakPolarHBondContact CB-ND2 3.32Å; N841-N865 PolarHBondContact ND2-OD1 2.69Å; N841-N865 VanDerWaalsContact OD1-CA 3.31Å; N841-N865 WeakPolarHBondContact OD1-CA 3.47Å; N841-N865 PolarHBondContact OD1-ND2 3.36Å; N841-N865 PolarHBondContact OD1-OD1 2.65Å; I861-N865 PolarHBondContact O-ND2 3.36Å; I861-N865 VanDerWaalsContact O-ND2 3.12Å; G863-N865 PolarHBondContact O-N 3.39Å; G863-N865 PolarHBondContact O-ND2 3.44Å
866	K	70	Confident	63.5	Low	83 Å²	83	53.1 Å²	53.1	36%	0.361	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.4	167.5	-46.7	-159.7	-169.5	-143.4	0	108.8	E794 L840 N841 D842	E794-K866 HydrophobicContact CG-CD 4.31Å; E794-K866 HydrophobicContact CG-CG 4.15Å; E794-K866 WeakPolarHBondContact OE1-CD 3.29Å; E794-K866 VanDerWaalsContact OE1-CE 3.29Å; E794-K866 WeakPolarHBondContact OE1-CE 3.22Å; E794-K866 IonicContact OE1-NZ 3.59Å; E794-K866 PolarHBondContact OE1-NZ 3.48Å; L840-K866 WeakPolarHBondContact CA-O 3.15Å; N841-K866 PolarHBondContact N-O 3.48Å; D842-K866 WeakPolarHBondContact OD1-CD 3.29Å
867	L	72.7	Confident	63	Low	6 Å²	6	56.4 Å²	56.4	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.6	165.5	172.3	59.3	0	0	0	108.1	F791 S792 M793 F795 L814 V838 V839 L840 I869	F791-L867 HydrophobicContact CE1-CD2 4.29Å; S792-L867 CarbonylContact C-O 3.41Å; S792-L867 VanDerWaalsContact CA-O 3.31Å; S792-L867 WeakPolarHBondContact CA-O 3.28Å; M793-L867 HydrophobicContact CE-CD2 4.05Å; M793-L867 PolarHBondContact N-O 2.84Å; M793-L867 PolarHBondContact O-N 2.98Å; F795-L867 HydrophobicContact CD1-CB 4.4Å; F795-L867 HydrophobicContact CE1-CB 4.05Å; L814-L867 HydrophobicContact CD1-CD2 3.75Å; L814-L867 HydrophobicContact CD2-CD1 3.95Å; L814-L867 HydrophobicContact CD2-CD2 4.21Å; V838-L867 HydrophobicContact CG1-CD1 3.75Å; V839-L867 WeakPolarHBondContact O-CA 3.15Å; L840-L867 HydrophobicContact CD2-CB 3.99Å; L840-L867 HydrophobicContact CD2-CD1 4.01Å; L867-I869 HydrophobicContact CD1-CD1 4.24Å; L867-I869 HydrophobicContact CD1-CG1 3.77Å; L867-I869 HydrophobicContact CD2-CD1 4.26Å; L867-I869 HydrophobicContact CD2-CG1 4.45Å; L867-I869 HydrophobicContact CG-CD1 4.35Å; L867-I869 HydrophobicContact CG-CG1 4Å
868	F	72.5	Confident	62.7	Low	60 Å²	60	64.1 Å²	64.1	26%	0.263	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.1	166.6	-179.2	-96.7	0	0	0	109.1	D790 F791 V838 V839 R870	D790-F868 HydrophobicContact CB-CE2 4.2Å; D790-F868 HydrophobicContact CB-CZ 4.11Å; F791-F868 WeakPolarHBondContact O-CA 3.31Å; F791-F868 WeakPolarHBondContact O-CD2 3.43Å; V838-F868 WeakPolarHBondContact CA-O 3.14Å; V839-F868 HydrophobicContact CB-CB 3.99Å; V839-F868 HydrophobicContact CG2-CB 4.13Å; V839-F868 HydrophobicContact CG2-CD1 4.21Å; V839-F868 PolarHBondContact N-O 3.17Å; V839-F868 VanDerWaalsContact N-O 3.09Å; V839-F868 PolarHBondContact O-N 3.32Å; V839-F868 VanDerWaalsContact O-N 3.16Å; F868-R870 HydrophobicContact CE1-CB 3.89Å; F868-R870 HydrophobicContact CZ-CB 4.44Å
869	I	73.8	Confident	63.2	Low	0 Å²	0	62 Å²	62	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.9	174.8	-49.1	-173.7	0	0	0	108.3	F791 L814 I816 V835 A837 V838 L867 L871 I883	F791-I869 HydrophobicContact CB-CB 4.47Å; F791-I869 HydrophobicContact CD1-CB 4.31Å; F791-I869 HydrophobicContact CD1-CD1 4.13Å; F791-I869 HydrophobicContact CD1-CG1 4.06Å; F791-I869 PolarHBondContact N-O 3.01Å; F791-I869 PolarHBondContact O-N 2.84Å; L814-I869 HydrophobicContact CD2-CD1 3.78Å; I816-I869 HydrophobicContact CD1-CD1 3.87Å; V835-I869 HydrophobicContact CB-CG2 4.28Å; V835-I869 HydrophobicContact CG1-CG2 3.67Å; V835-I869 HydrophobicContact CG2-CG2 3.65Å; A837-I869 WeakPolarHBondContact O-CA 3.43Å; V838-I869 HydrophobicContact CG2-CG1 4.42Å; L867-I869 HydrophobicContact CD1-CD1 4.24Å; L867-I869 HydrophobicContact CD1-CG1 3.77Å; L867-I869 HydrophobicContact CD2-CD1 4.26Å; L867-I869 HydrophobicContact CD2-CG1 4.45Å; L867-I869 HydrophobicContact CG-CD1 4.35Å; L867-I869 HydrophobicContact CG-CG1 4Å; I869-L871 HydrophobicContact CG2-CD2 3.92Å; I869-I883 HydrophobicContact CD1-CD1 3.58Å; I869-I883 HydrophobicContact CD1-CG1 4.39Å; I869-I883 HydrophobicContact CD1-CG2 4.48Å
870	R	73.6	Confident	64	Low	113 Å²	113	62.9 Å²	62.9	43%	0.426	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.6	164.4	174.9	159.5	-71	151.4	1.7	109.4	D790 H836 A837 F868	D790-R870 WeakPolarHBondContact OD1-CB 3.2Å; D790-R870 WeakPolarHBondContact OD1-CG 3.4Å; D790-R870 IonicContact OD1-CZ 2.66Å; D790-R870 IonicContact OD1-NE 3.28Å; D790-R870 PolarHBondContact OD1-NE 2.86Å; D790-R870 IonicContact OD1-NH2 3.58Å; D790-R870 PolarHBondContact OD1-NH2 3.29Å; D790-R870 IonicContact OD2-CZ 3.64Å; D790-R870 IonicContact OD2-NE 3.51Å; D790-R870 IonicContact OD2-NH2 2.71Å; D790-R870 PolarHBondContact OD2-NH2 3.05Å; H836-R870 HydrophobicContact CB-CB 4.35Å; H836-R870 HydrophobicContact CB-CG 4.15Å; H836-R870 PolarHBondContact N-O 3.43Å; A837-R870 PolarHBondContact O-N 2.94Å; F868-R870 HydrophobicContact CE1-CB 3.89Å; F868-R870 HydrophobicContact CZ-CB 4.44Å
871	L	70.9	Confident	65	Low	10 Å²	10	59.7 Å²	59.7	5%	0.052	33%	0.333	C	S	.	.			trans	-81.3	161.3	175.4	-49.9	-179.7	0	0	0	110.9	G788 P789 S834 V835 H836 I869 P875 L881	G788-L871 WeakPolarHBondContact O-CD1 3.43Å; P789-L871 WeakPolarHBondContact O-CB 3.47Å; P789-L871 WeakPolarHBondContact O-CG 3.49Å; P789-L871 PolarHBondContact O-N 3.01Å; S834-L871 WeakPolarHBondContact O-CA 3.25Å; S834-L871 WeakPolarHBondContact O-CB 3.45Å; S834-L871 WeakPolarHBondContact O-CD2 3.27Å; V835-L871 HydrophobicContact CG2-CD2 4.36Å; H836-L871 PolarHBondContact ND1-O 3.27Å; I869-L871 HydrophobicContact CG2-CD2 3.92Å; L871-P875 HydrophobicContact CD1-CG 4.18Å; L871-L881 HydrophobicContact CD1-CD1 3.55Å; L871-L881 HydrophobicContact CD1-CG 4.47Å; L871-L881 HydrophobicContact CD2-CD1 3.47Å; L871-L881 VanDerWaalsContact CD2-CD1 3.47Å; L871-L881 HydrophobicContact CG-CD1 4.16Å
872	A	64.7	Low	65.9	Low	49 Å²	49	56.4 Å²	56.4	41%	0.405	32%	0.317	S	S	.	.	S	Bend	trans	-90.6	-45.4	180	0	0	0	0	0	113.2	C833 S834 H836	C833-A872 WeakPolarHBondContact O-CB 3.16Å; S834-A872 PolarHBondContact O-N 3.12Å; H836-A872 VanDerWaalsContact CE1-CA 3.42Å; H836-A872 WeakPolarHBondContact CE1-CA 3.31Å; H836-A872 WeakPolarHBondContact ND1-CA 3.23Å
873	E	61.7	Low	66.4	Low	145 Å²	145	52.5 Å²	52.5	68%	0.678	29%	0.291	S	S	*	.	S	Bend	trans	-108.4	146.1	166.3	-159.7	170.1	178.1	0	0	108.1
874	A	56.7	Low	66.9	Low	60 Å²	60	51.2 Å²	51.2	50%	0.496	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-63.9	130.2	166.9	0	0	0	0	0	107.3	P789 T876	P789-A874 HydrophobicContact CB-CB 4.44Å; A874-T876 PolarHBondContact O-N 3.27Å
875	P	56	Low	67	Low	29 Å²	29	47.3 Å²	47.3	19%	0.188	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-57	120.5	-176.7	21.9	-32	0	0	0	108.8	G788 L871 A877	G788-P875 WeakPolarHBondContact O-CD 3.44Å; L871-P875 HydrophobicContact CD1-CG 4.18Å; P875-A877 PolarHBondContact O-N 2.87Å
876	T	52.7	Low	67.1	Low	79 Å²	79	47.9 Å²	47.9	49%	0.485	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-51.8	135.3	177.8	69.2	0	0	0	0	107.9	A874 K878 V879	A874-T876 PolarHBondContact O-N 3.27Å; T876-K878 PolarHBondContact O-N 3.21Å; T876-V879 PolarHBondContact O-N 3.32Å
877	A	52.1	Low	66.9	Low	92 Å²	92	45 Å²	45	76%	0.76	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-9.9	-164.5	0	0	0	0	0	115.9	P875	P875-A877 PolarHBondContact O-N 2.87Å
878	K	55.5	Low	66.4	Low	165 Å²	165	45.1 Å²	45.1	72%	0.717	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-11	175.7	-57.1	-176.5	179.4	-176.3	0	114.7	T876	T876-K878 PolarHBondContact O-N 3.21Å
879	V	65.1	Low	65.6	Low	42 Å²	42	46.5 Å²	46.5	26%	0.255	26%	0.259	S	S	.	.			trans	-130.2	131.5	-176.8	-176.6	0	0	0	0	108.8	H818 T876	H818-V879 HydrophobicContact CB-CG1 3.76Å; T876-V879 PolarHBondContact O-N 3.32Å
880	K	72.1	Confident	64.5	Low	25 Å²	25	49.7 Å²	49.7	11%	0.109	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150.7	178.2	-57.8	-169.1	179.8	-149	0	109.4	Y718 E787 A819 F821	Y718-K880 PolarHBondContact O-NZ 2.87Å; E787-K880 IonicContact OE1-NZ 3.38Å; E787-K880 PolarHBondContact OE1-NZ 2.78Å; A819-K880 PolarHBondContact N-O 3.18Å; A819-K880 PolarHBondContact O-N 2.96Å; F821-K880 HydrophobicContact CD2-CB 4.35Å; F821-K880 HydrophobicContact CE2-CB 4.1Å
881	L	74.5	Confident	63.3	Low	3 Å²	3	55.9 Å²	55.9	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.8	178.7	-59.5	-170	0	0	0	110.5	L785 C786 I816 F817 H818 L871	L785-L881 CarbonylContact C-O 3.33Å; L785-L881 WeakPolarHBondContact CA-O 3.29Å; C786-L881 HydrophobicContact CB-CB 4.2Å; C786-L881 PolarHBondContact N-O 2.69Å; I816-L881 HydrophobicContact CG2-CB 4.4Å; I816-L881 HydrophobicContact CG2-CD1 4.13Å; F817-L881 WeakPolarHBondContact O-CA 3.41Å; H818-L881 VanDerWaalsContact ND1-CD2 3.34Å; H818-L881 WeakPolarHBondContact ND1-CD2 3.3Å; L871-L881 HydrophobicContact CD1-CD1 3.55Å; L871-L881 HydrophobicContact CD1-CG 4.47Å; L871-L881 HydrophobicContact CD2-CD1 3.47Å; L871-L881 VanDerWaalsContact CD2-CD1 3.47Å; L871-L881 HydrophobicContact CG-CD1 4.16Å
882	L	75.8	Confident	62.9	Low	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.5	166.9	173.8	64.2	0	0	0	108.1	L755 A759 H783 R784 L785 I816 F817 A819 A827	L755-L882 HydrophobicContact CD2-CD1 4.31Å; A759-L882 HydrophobicContact CB-CD2 4.35Å; H783-L882 HydrophobicContact CB-CD1 3.72Å; R784-L882 WeakPolarHBondContact O-CA 3.49Å; L785-L882 HydrophobicContact CD2-CB 4.01Å; L785-L882 HydrophobicContact CD2-CD1 3.77Å; L785-L882 HydrophobicContact CD2-CG 4.49Å; I816-L882 WeakPolarHBondContact CA-O 3.46Å; F817-L882 HydrophobicContact CB-CB 4.28Å; F817-L882 HydrophobicContact CD2-CB 4.36Å; F817-L882 HydrophobicContact CD2-CD2 4.22Å; F817-L882 HydrophobicContact CD2-CG 4.11Å; F817-L882 WeakPolarHBondContact CD2-O 3.42Å; F817-L882 PolarHBondContact N-O 3.05Å; F817-L882 PolarHBondContact O-N 3.04Å; A819-L882 HydrophobicContact CB-CB 4.09Å; A827-L882 HydrophobicContact CB-CD2 4.36Å
883	I	74	Confident	62.8	Low	3 Å²	3	58.7 Å²	58.7	2%	0.015	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.1	175.5	-58.3	169	0	0	0	110.1	C782 R784 C786 F791 L814 F815 I816 I869	C782-I883 CarbonylContact C-O 3.57Å; C782-I883 VanDerWaalsContact C-O 3.28Å; C782-I883 CarbonylContact O-C 3.28Å; R784-I883 PolarHBondContact N-O 3.19Å; R784-I883 PolarHBondContact O-N 3.1Å; C786-I883 WeakPolarHBondContact SG-CD1 3.4Å; F791-I883 HydrophobicContact CD1-CD1 3.38Å; F791-I883 HydrophobicContact CD2-CD1 4.47Å; F791-I883 HydrophobicContact CE1-CD1 3.4Å; F791-I883 VanDerWaalsContact CE1-CD1 3.4Å; F791-I883 HydrophobicContact CE2-CD1 4.48Å; F791-I883 HydrophobicContact CG-CD1 3.94Å; F791-I883 HydrophobicContact CZ-CD1 3.97Å; L814-I883 HydrophobicContact CD1-CG2 3.66Å; L814-I883 HydrophobicContact CG-CG2 4.35Å; F815-I883 WeakPolarHBondContact O-CA 3.25Å; I816-I883 HydrophobicContact CG1-CG1 4.38Å; I816-I883 HydrophobicContact CG2-CG1 4.28Å; I869-I883 HydrophobicContact CD1-CD1 3.58Å; I869-I883 HydrophobicContact CD1-CG1 4.39Å; I869-I883 HydrophobicContact CD1-CG2 4.48Å
884	G	72.6	Confident	62.9	Low	1 Å²	1	53.9 Å²	53.9	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	156.5	170	0	0	0	0	0	113	C782 F815	C782-G884 WeakPolarHBondContact O-CA 3.14Å; F815-G884 PolarHBondContact N-O 2.71Å; F815-G884 PolarHBondContact O-N 2.97Å; F815-G884 VanDerWaalsContact O-O 3.07Å
885	A	71.1	Confident	63.3	Low	29 Å²	29	53.5 Å²	53.5	24%	0.24	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	130.3	-178	0	0	0	0	0	110.2	I812 L814	I812-A885 HydrophobicContact CG2-CB 4.12Å; L814-A885 HydrophobicContact CD1-CB 4.1Å
886	Y	70.4	Confident	63.7	Low	11 Å²	11	55.1 Å²	55.1	4%	0.043	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	159.2	-172.3	-68.1	-104.4	0	0	0	111.4	I763 L774 A781 L813 F815	I763-Y886 HydrophobicContact CD1-CD2 3.93Å; I763-Y886 HydrophobicContact CD1-CE1 4.05Å; I763-Y886 HydrophobicContact CD1-CE2 3.18Å; I763-Y886 VanDerWaalsContact CD1-OH 3.29Å; I763-Y886 WeakPolarHBondContact CD1-OH 3.3Å; L774-Y886 HydrophobicContact CD2-CD1 4.12Å; L774-Y886 HydrophobicContact CD2-CG 4.24Å; A781-Y886 HydrophobicContact CB-CE1 3.96Å; A781-Y886 HydrophobicContact CB-CE2 3.96Å; A781-Y886 VanDerWaalsContact CB-CZ 3.41Å; A781-Y886 WeakPolarHBondContact CB-OH 3.37Å; L813-Y886 PolarHBondContact N-O 3.44Å; L813-Y886 PolarHBondContact O-N 3.08Å; F815-Y886 AromaticContact CD2-CD2 3.55Å; F815-Y886 HydrophobicContact CD2-CD2 3.55Å; F815-Y886 HydrophobicContact CD2-CE2 4.2Å; F815-Y886 HydrophobicContact CD2-CG 4.39Å; F815-Y886 AromaticContact CE2-CD2 3.73Å; F815-Y886 HydrophobicContact CE2-CD2 3.73Å; F815-Y886 HydrophobicContact CE2-CG 4.14Å; F815-Y886 HydrophobicContact CG-CD2 4.4Å
887	R	66.1	Low	64.5	Low	24 Å²	24	53.5 Å²	53.5	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.7	173.5	-161.3	-176.4	-175.7	-161.8	1.4	106.8	E775 V777 Q802	E775-R887 HydrophobicContact CB-CB 4.24Å; E775-R887 WeakPolarHBondContact O-CA 2.96Å; E775-R887 WeakPolarHBondContact O-CB 2.95Å; E775-R887 PolarHBondContact O-N 3.05Å; E775-R887 IonicContact OE2-CZ 2.61Å; E775-R887 IonicContact OE2-NH1 3.32Å; E775-R887 PolarHBondContact OE2-NH1 2.91Å; V777-R887 HydrophobicContact CB-CB 4.1Å; V777-R887 HydrophobicContact CG1-CB 4.24Å; V777-R887 HydrophobicContact CG1-CG 4.16Å; V777-R887 HydrophobicContact CG2-CB 3.67Å; V777-R887 HydrophobicContact CG2-CG 4.38Å; Q802-R887 VanDerWaalsContact OE1-NH2 3.09Å
888	V	61.9	Low	65.3	Low	8 Å²	8	50.7 Å²	50.7	5%	0.048	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.5	167.4	-177.5	0	0	0	0	107.4	L774 G811 L813 L890	L774-V888 HydrophobicContact CD2-CG2 3.89Å; L774-V888 HydrophobicContact CG-CG2 4.42Å; G811-V888 PolarHBondContact N-O 2.73Å; G811-V888 PolarHBondContact O-N 2.61Å; L813-V888 HydrophobicContact CB-CB 4.32Å; L813-V888 HydrophobicContact CB-CG2 3.65Å; L813-V888 HydrophobicContact CD2-CG2 3.78Å; L813-V888 HydrophobicContact CG-CG2 4.37Å; V888-L890 HydrophobicContact CG1-CD2 3.71Å; V888-L890 HydrophobicContact CG1-CG 4.16Å
889	Q	56.4	Low	66.1	Low	88 Å²	88	41.9 Å²	41.9	41%	0.411	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	105.4	159	-178.4	169.2	-15.6	0	0	105.6	T807	T807-Q889 PolarHBondContact OG1-NE2 2.69Å
890	L	51.6	Low	66.2	Low	68 Å²	68	41.9 Å²	41.9	36%	0.356	21%	0.206	S	C	.	.			trans	-67.2	137.7	169.9	-62.3	172.6	0	0	0	107.7	Y856 V888	Y856-L890 HydrophobicContact CD1-CD1 4.43Å; Y856-L890 HydrophobicContact CE1-CD1 3.83Å; Y856-L890 HydrophobicContact CE2-CD1 4.12Å; V888-L890 HydrophobicContact CG1-CD2 3.71Å; V888-L890 HydrophobicContact CG1-CG 4.16Å
891	Q	47.7	Very low	65.6	Low	243 Å²	243	43.5 Å²	43.5	100%	1.136	22%	0.215	S	C	*	.			trans	-76.9	0	175	-71.6	-174.6	-29.9	0	0	110.9

Retrieved 891 of 891 residues in 186.9 ms (Link to these results)

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