A0A096MK07_RAT Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A096MK07, Species RAT (Rattus norvegicus, Rat), Gene AC118772.1, Length 1,247 aa.

						>A0A096MK07_RAT|A0A096MK07|AC118772.1
MPLAKDLLHPSPEEGKRKPKKKRLVQSPNSYFLDVKCTGCYKITTDFSHAQTVVLQISQGSRARNRGQTSHPEPDEELKHPEGTRAPVNSRDVFLLSLSVQKMPYAEITVNLGKVTLGEENRKEMTNSCLKRHENSSIVQAVCALLNSGGGVIKAKIDDKGYSYRCHGLGQDLETSFQKLLPSGSQKHLDYMQQDHDFLIFVKSWSPDASSLPLKICSLRSNIYQRDVTSAINLCASSALELLREKESRAQRGIPKLHSQDHILNRTIQEEEDIKMCALEFFKKDKLNYKEKLSFTESTHVEFKRFTTKKIVPRIKETLAHYVSAFANTQGGYIIIGVDDKSKEVFGCMKEKVNPDSLKTEIKNCIEKLPTYHFCREKPRVNFTTKILKVYQREALYGFVCVVQVEPFCCVVFAEDPDSWIMENNIVTRLKAQQWVEMMLAIQSDPSGFPTTADSAHPMSPALSAPGRPAYLTKVLEHKETLQRRFFPEKLFSDHEGLEDLLKTQTHPCSHGIVIFSRSWAGDIGLTREEKVLCDALLVAVGSPLVLYTVLTDPSWLGGSDYTQNTALQLKRRLQTLGGYRGKVCVIPRVICLPGRGSRPDPSPVYPRAYKLSSSAEVEDLLQSLVLVSLCSRSVLSDQLGCEFFKLCIEEEARALSRNLRETRELFIHCLPGTRKTALAIKMVEKIKDMFHCKPKEILYVCENDSLRDFVMQQVTCRAVTRRAFMREEFPKVKHIVLDETENFCSRHGDWYEKAKSTTHPKASGERLHHGILWLFLDPFQTRHPGASGLPAPSAQFPRKMITSEIHCAVEIAKVMKDEMKRIQENPPSNGSPDTLAMFQEVPYEEAMCAQALPGVCEIKANLTPGQIASYVAEKCHSLFHEGYRPQDIAILYRRWEDRGQYKEALLRAMARGTMEVSFNSAADICADGVIFDSVEQFSGMVRNIVFGLSTESVHSEGVHKLCFASRAVKHLYLLEAEIVLSPHQRGVVDGLSQRSTTVQNTGNKELEVPPPPDTAAIQPLNRRLHGKGVGQETLLWNTSRRPSNSGLCCRIIITVLLDKQTEDLGASRKQTTRLDLRTSCLPCRLPEISTQASPASCNPKRTQPLPVNRRMGENCSVLNRTVEGDKGTKGSRSEVWAVYDEETLALCRLSALKAWDKVAESEKKLEPFTQVIQGPKETFPDFLQRLTSAVERSVSDTAARKATVESLAFENVNTECREGIRPLRARSASVDEWIRQTADIGSSRLI
					

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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	35.6	Very low	51.8	Low	236 Å²	236	125.3 Å²	125.3	100%	1.163	69%	0.686	S	S	*	*				0	121.7	0	-72.9	178.1	157.4	0	0	108	L3	M1-L3 PolarHBondContact O-N 3.06Å
2	P	38.3	Very low	52.7	Low	132 Å²	132	123.6 Å²	123.6	86%	0.857	69%	0.686	S	S	*	*			trans	-64.6	132.6	175.8	-9.9	25	0	0	0	108.8	A4	P2-A4 PolarHBondContact O-N 2.88Å
3	L	42.9	Very low	53.6	Low	175 Å²	175	125.4 Å²	125.4	92%	0.916	69%	0.686	S	S	*	*			trans	-44.6	124.6	-176.2	-74.3	150.8	0	0	0	111.5	M1 K5	M1-L3 PolarHBondContact O-N 3.06Å; L3-K5 PolarHBondContact O-N 2.98Å; L3-K5 VanDerWaalsContact O-N 3.12Å
4	A	48	Very low	54.5	Low	99 Å²	99	121.3 Å²	121.3	82%	0.818	66%	0.66	S	S	*	*			trans	-52.7	119	176.6	0	0	0	0	0	109.1	P2 D6	P2-A4 PolarHBondContact O-N 2.88Å; A4-D6 PolarHBondContact O-N 2.94Å; A4-D6 VanDerWaalsContact O-N 3.07Å
5	K	49.1	Very low	55.1	Low	140 Å²	140	114.5 Å²	114.5	61%	0.609	63%	0.63	S	S	*	*			trans	-56.8	115	177.5	-145	174.6	-177	-179.1	0	107.5	L3 L7 E14	L3-K5 PolarHBondContact O-N 2.98Å; L3-K5 VanDerWaalsContact O-N 3.12Å; K5-L7 PolarHBondContact O-N 3.18Å; K5-E14 VanDerWaalsContact CE-OE1 3.27Å; K5-E14 WeakPolarHBondContact CE-OE1 3.3Å; K5-E14 IonicContact NZ-OE1 3.5Å; K5-E14 PolarHBondContact NZ-OE1 3.44Å; K5-E14 IonicContact NZ-OE2 2.74Å
6	D	55.7	Low	55.6	Low	87 Å²	87	117.6 Å²	117.6	47%	0.465	64%	0.635	S	S	.	*			trans	-62.1	104.6	179.1	-175.6	-8.8	0	0	0	109	A4 L8 H9	A4-D6 PolarHBondContact O-N 2.94Å; A4-D6 VanDerWaalsContact O-N 3.07Å; D6-L8 VanDerWaalsContact C-N 3.31Å; D6-L8 WeakPolarHBondContact OD1-CA 3.48Å; D6-L8 WeakPolarHBondContact OD1-CB 3.47Å; D6-L8 PolarHBondContact OD1-N 2.93Å; D6-H9 PolarHBondContact OD1-N 3.07Å; D6-H9 IonicContact OD1-ND1 2.97Å; D6-H9 WeakPolarHBondContact OD2-CB 3.48Å; D6-H9 IonicContact OD2-CG 2.98Å; D6-H9 IonicContact OD2-ND1 3.61Å; D6-H9 PolarHBondContact OD2-ND1 3.12Å
7	L	56	Low	56.2	Low	143 Å²	143	124.2 Å²	124.2	75%	0.749	65%	0.648	S	S	*	*	S	Bend	trans	-77.9	-19.7	-179.7	-66.8	176.4	0	0	0	112.1	K5	K5-L7 PolarHBondContact O-N 3.18Å
8	L	56.3	Low	56.5	Low	133 Å²	133	122.2 Å²	122.2	70%	0.696	63%	0.634	S	S	*	*	S	Bend	trans	-83.3	-32	-179.5	-73.2	162.2	0	0	0	111.3	D6 P10 L24	D6-L8 VanDerWaalsContact C-N 3.31Å; D6-L8 WeakPolarHBondContact OD1-CA 3.48Å; D6-L8 WeakPolarHBondContact OD1-CB 3.47Å; D6-L8 PolarHBondContact OD1-N 2.93Å; L8-P10 VanDerWaalsContact C-CD 3.49Å; L8-P10 WeakPolarHBondContact O-CD 3.44Å; L8-L24 VanDerWaalsContact O-CD2 3.3Å; L8-L24 WeakPolarHBondContact O-CD2 3.47Å
9	H	62	Low	56.6	Low	140 Å²	140	120.3 Å²	120.3	65%	0.648	63%	0.629	S	S	*	*	S	Bend	trans	-127	66.4	-180	-46.7	94.3	0	0	0	112.9	D6	D6-H9 PolarHBondContact OD1-N 3.07Å; D6-H9 IonicContact OD1-ND1 2.97Å; D6-H9 WeakPolarHBondContact OD2-CB 3.48Å; D6-H9 IonicContact OD2-CG 2.98Å; D6-H9 IonicContact OD2-ND1 3.61Å; D6-H9 PolarHBondContact OD2-ND1 3.12Å
10	P	61.3	Low	56.9	Low	43 Å²	43	118 Å²	118	28%	0.279	61%	0.614	S	S	.	*			trans	-61.9	144.9	174.2	26.4	-33.3	0	0	0	110.9	L8 L24	L8-P10 VanDerWaalsContact C-CD 3.49Å; L8-P10 WeakPolarHBondContact O-CD 3.44Å; P10-L24 HydrophobicContact CG-CB 4.27Å; P10-L24 HydrophobicContact CG-CD2 4.09Å
11	S	64.6	Low	57.2	Low	50 Å²	50	121.3 Å²	121.3	35%	0.35	62%	0.624	S	S	.	*			trans	-60.3	144.6	179.2	81.2	0	0	0	0	111.1	E13 E14 G15	S11-E13 PolarHBondContact O-N 3.29Å; S11-E13 VanDerWaalsContact O-N 3.09Å; S11-E14 PolarHBondContact O-N 3.3Å; S11-E14 VanDerWaalsContact O-N 3.11Å; S11-E14 PolarHBondContact OG-N 2.98Å; S11-E14 VanDerWaalsContact OG-N 3.14Å; S11-G15 PolarHBondContact O-N 2.77Å
12	P	63	Low	58.8	Low	105 Å²	105	117.6 Å²	117.6	68%	0.682	60%	0.601	S	S	*	*	H	α-helix	trans	-56	-29.7	177.4	-24.4	32.6	0	0	0	112.9	K16	P12-K16 WeakPolarHBondContact O-CG 3.47Å; P12-K16 PolarHBondContact O-N 2.86Å
13	E	63.7	Low	60.1	Low	147 Å²	147	113.3 Å²	113.3	69%	0.687	57%	0.568	S	S	*	*	H	α-helix	trans	-71.5	-44.2	178.3	-64.8	174.6	163.9	0	0	112.1	S11 G15 K16 R17	S11-E13 PolarHBondContact O-N 3.29Å; S11-E13 VanDerWaalsContact O-N 3.09Å; E13-G15 VanDerWaalsContact C-N 3.32Å; E13-G15 PolarHBondContact O-N 3.39Å; E13-K16 PolarHBondContact O-N 3.06Å; E13-R17 PolarHBondContact O-N 3.13Å
14	E	66.3	Low	61.1	Low	68 Å²	68	110.7 Å²	110.7	32%	0.318	55%	0.554	S	S	.	*	H	α-helix	trans	-63.2	-40	171.6	-89.1	-163.4	149.1	0	0	111.1	K5 S11 K16 R17 K18	K5-E14 VanDerWaalsContact CE-OE1 3.27Å; K5-E14 WeakPolarHBondContact CE-OE1 3.3Å; K5-E14 IonicContact NZ-OE1 3.5Å; K5-E14 PolarHBondContact NZ-OE1 3.44Å; K5-E14 IonicContact NZ-OE2 2.74Å; S11-E14 PolarHBondContact O-N 3.3Å; S11-E14 VanDerWaalsContact O-N 3.11Å; S11-E14 PolarHBondContact OG-N 2.98Å; S11-E14 VanDerWaalsContact OG-N 3.14Å; E14-K16 VanDerWaalsContact C-N 3.35Å; E14-K16 PolarHBondContact O-N 3.39Å; E14-R17 PolarHBondContact O-N 3.11Å; E14-K18 PolarHBondContact O-N 3.47Å
15	G	62.9	Low	61.6	Low	20 Å²	20	111.6 Å²	111.6	21%	0.206	55%	0.549	C	S	.	.	H	α-helix	trans	-59.3	-42.8	176.4	0	0	0	0	0	112.7	S11 E13 R17 K18 R23	S11-G15 PolarHBondContact O-N 2.77Å; E13-G15 VanDerWaalsContact C-N 3.32Å; E13-G15 PolarHBondContact O-N 3.39Å; G15-R17 VanDerWaalsContact C-N 3.32Å; G15-R17 PolarHBondContact O-N 2.79Å; G15-K18 PolarHBondContact O-N 3.27Å; G15-R23 WeakPolarHBondContact O-CD 3.46Å; G15-R23 WeakPolarHBondContact O-CG 3.46Å; G15-R23 PolarHBondContact O-NE 3.06Å
16	K	63.7	Low	61.7	Low	164 Å²	164	110.7 Å²	110.7	71%	0.713	55%	0.547	S	S	*	.	H	α-helix	trans	-64	-34.2	177.1	-78.1	175.6	-178.1	176.9	0	112.8	P12 E13 E14 R23	P12-K16 WeakPolarHBondContact O-CG 3.47Å; P12-K16 PolarHBondContact O-N 2.86Å; E13-K16 PolarHBondContact O-N 3.06Å; E14-K16 VanDerWaalsContact C-N 3.35Å; E14-K16 PolarHBondContact O-N 3.39Å; K16-R23 PolarHBondContact O-NH2 3.37Å; K16-R23 VanDerWaalsContact O-NH2 3.17Å
17	R	65.3	Low	61.5	Low	229 Å²	229	109.2 Å²	109.2	86%	0.864	54%	0.544	S	S	*	.	H	α-helix	trans	-76.2	-18.9	178.9	-69.7	-178	177.8	-175.7	1	114.1	E13 E14 G15	E13-R17 PolarHBondContact O-N 3.13Å; E14-R17 PolarHBondContact O-N 3.11Å; G15-R17 VanDerWaalsContact C-N 3.32Å; G15-R17 PolarHBondContact O-N 2.79Å
18	K	62.3	Low	61.3	Low	89 Å²	89	107.4 Å²	107.4	39%	0.387	54%	0.541	S	S	.	.	S	Bend	trans	-83.2	144.3	178.7	-71.5	178.6	-175.2	174.8	0	112.4	E14 G15 K22 R23	E14-K18 PolarHBondContact O-N 3.47Å; G15-K18 PolarHBondContact O-N 3.27Å; K18-K22 HydrophobicContact CB-CB 4.41Å; K18-K22 WeakPolarHBondContact CD-O 3.47Å; K18-R23 HydrophobicContact CB-CG 4.14Å; K18-R23 PolarHBondContact O-NE 3.03Å; K18-R23 PolarHBondContact O-NH2 3.45Å
19	P	58.8	Low	61.3	Low	85 Å²	85	103.3 Å²	103.3	55%	0.552	52%	0.519	S	S	*	.			trans	-55.8	149.6	169.9	-22.7	31.5	0	0	0	112.1	K21 K22 R23	P19-K21 VanDerWaalsContact C-N 3.27Å; P19-K21 PolarHBondContact O-N 2.93Å; P19-K21 VanDerWaalsContact O-N 3.11Å; P19-K22 WeakPolarHBondContact O-CA 3.29Å; P19-K22 PolarHBondContact O-N 2.96Å; P19-R23 PolarHBondContact O-N 3.45Å
20	K	62	Low	60.9	Low	74 Å²	74	98 Å²	98	32%	0.322	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-45.7	-47.2	-177.6	-177.5	-177	176.6	-176.5	0	113.3	K22 R23	K20-K22 PolarHBondContact O-N 2.81Å; K20-R23 PolarHBondContact O-N 3.03Å
21	K	62.5	Low	60.6	Low	189 Å²	189	100.7 Å²	100.7	82%	0.822	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-70.1	-11	-179.7	-69	-172.4	176.3	-176.9	0	114.7	P19	P19-K21 VanDerWaalsContact C-N 3.27Å; P19-K21 PolarHBondContact O-N 2.93Å; P19-K21 VanDerWaalsContact O-N 3.11Å
22	K	69.7	Low	60.1	Low	158 Å²	158	105.4 Å²	105.4	69%	0.687	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-110.8	8	-178.5	-65.2	-163.8	175.8	-172.9	0	113.5	K18 P19 K20	K18-K22 HydrophobicContact CB-CB 4.41Å; K18-K22 WeakPolarHBondContact CD-O 3.47Å; P19-K22 WeakPolarHBondContact O-CA 3.29Å; P19-K22 PolarHBondContact O-N 2.96Å; K20-K22 PolarHBondContact O-N 2.81Å
23	R	65.6	Low	59.8	Low	42 Å²	42	103.8 Å²	103.8	16%	0.158	50%	0.503	C	S	.	.	S	Bend	trans	-88.1	146.9	174.9	-64.7	178.8	-176	173.8	-2.1	110.2	G15 K16 K18 P19 K20 V25 N29	G15-R23 WeakPolarHBondContact O-CD 3.46Å; G15-R23 WeakPolarHBondContact O-CG 3.46Å; G15-R23 PolarHBondContact O-NE 3.06Å; K16-R23 PolarHBondContact O-NH2 3.37Å; K16-R23 VanDerWaalsContact O-NH2 3.17Å; K18-R23 HydrophobicContact CB-CG 4.14Å; K18-R23 PolarHBondContact O-NE 3.03Å; K18-R23 PolarHBondContact O-NH2 3.45Å; P19-R23 PolarHBondContact O-N 3.45Å; K20-R23 PolarHBondContact O-N 3.03Å; R23-V25 VanDerWaalsContact C-N 3.35Å; R23-N29 PolarHBondContact NH1-ND2 3.45Å; R23-N29 PolarHBondContact NH2-ND2 3.5Å
24	L	65.1	Low	59.5	Low	119 Å²	119	102 Å²	102	62%	0.623	50%	0.498	S	S	*	.	S	Bend	trans	-63	-41.5	177.6	-166.6	73.9	0	0	0	111.5	L8 P10	L8-L24 VanDerWaalsContact O-CD2 3.3Å; L8-L24 WeakPolarHBondContact O-CD2 3.47Å; P10-L24 HydrophobicContact CG-CB 4.27Å; P10-L24 HydrophobicContact CG-CD2 4.09Å
25	V	58	Low	59.1	Low	118 Å²	118	102.1 Å²	102.1	72%	0.715	50%	0.503	S	S	*	.	S	Bend	trans	-116.1	118.7	170.1	-177.3	0	0	0	0	108.8	R23 S27	R23-V25 VanDerWaalsContact C-N 3.35Å; V25-S27 PolarHBondContact O-N 3.42Å
26	Q	51	Low	58.4	Low	122 Å²	122	107 Å²	107	57%	0.57	52%	0.519	S	S	*	.			trans	-80	96.6	179.4	-61.4	-169.6	16.2	0	0	110.3
27	S	52	Low	57.4	Low	56 Å²	56	100.9 Å²	100.9	39%	0.392	50%	0.496	S	S	.	.			trans	-86.6	149.2	169.9	55.5	0	0	0	0	111.9	V25 N29	V25-S27 PolarHBondContact O-N 3.42Å; S27-N29 PolarHBondContact O-N 2.99Å
28	P	50.5	Low	56	Low	105 Å²	105	93.8 Å²	93.8	68%	0.682	48%	0.478	S	S	*	.			trans	-71.5	100	-178.6	27	-32	0	0	0	110.9
29	N	56.3	Low	54.8	Low	46 Å²	46	91.7 Å²	91.7	25%	0.246	48%	0.482	C	S	.	.			trans	-90.7	18.8	163.9	-83.2	13.4	0	0	0	112.2	R23 S27	R23-N29 PolarHBondContact NH1-ND2 3.45Å; R23-N29 PolarHBondContact NH2-ND2 3.5Å; S27-N29 PolarHBondContact O-N 2.99Å
30	S	53.5	Low	54.2	Low	28 Å²	28	91.8 Å²	91.8	20%	0.196	48%	0.483	C	S	.	.			trans	-113.8	133.7	-178.2	42.3	0	0	0	0	109.9	F47 S48	S30-F47 VanDerWaalsContact CB-CZ 3.43Å; S30-S48 WeakPolarHBondContact CA-O 3.45Å
31	Y	55.6	Low	53.1	Low	100 Å²	100	94.7 Å²	94.7	39%	0.392	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.8	179.8	56	-77.4	0	0	0	109.8	L33 S48 A50	Y31-L33 HydrophobicContact CD2-CD1 4.12Å; Y31-L33 HydrophobicContact CD2-CD2 4.13Å; Y31-L33 HydrophobicContact CD2-CG 3.68Å; Y31-L33 HydrophobicContact CE2-CD1 3.43Å; Y31-L33 VanDerWaalsContact CE2-CD1 3.43Å; Y31-L33 HydrophobicContact CE2-CD2 3.69Å; Y31-L33 HydrophobicContact CE2-CG 3.4Å; Y31-S48 PolarHBondContact N-O 2.8Å; Y31-S48 PolarHBondContact O-N 2.87Å; Y31-S48 VanDerWaalsContact O-N 3.15Å; Y31-A50 PolarHBondContact OH-O 3.14Å
32	F	55.2	Low	52.6	Low	150 Å²	150	92.7 Å²	92.7	66%	0.658	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.5	170.8	-66.2	-80.3	0	0	0	109	T45 D46 F47	F32-T45 HydrophobicContact CB-CG2 3.73Å; F32-T45 HydrophobicContact CD1-CG2 3.92Å; F32-T45 HydrophobicContact CG-CG2 4.21Å; F32-D46 WeakPolarHBondContact CA-O 3.14Å; F32-F47 HydrophobicContact CD1-CB 4.46Å; F32-F47 HydrophobicContact CD1-CD2 4.08Å; F32-F47 HydrophobicContact CE1-CB 4.39Å; F32-F47 AromaticContact CE1-CD2 3.74Å; F32-F47 HydrophobicContact CE1-CD2 3.74Å; F32-F47 HydrophobicContact CE2-CD2 4.47Å; F32-F47 AromaticContact CZ-CD2 3.96Å; F32-F47 HydrophobicContact CZ-CD2 3.96Å; F32-F47 HydrophobicContact CZ-CE2 4.34Å
33	L	55.7	Low	52	Low	70 Å²	70	89.7 Å²	89.7	37%	0.366	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.3	177.9	-84.8	161.3	0	0	0	109.2	Y31 V35 T45 D46	Y31-L33 HydrophobicContact CD2-CD1 4.12Å; Y31-L33 HydrophobicContact CD2-CD2 4.13Å; Y31-L33 HydrophobicContact CD2-CG 3.68Å; Y31-L33 HydrophobicContact CE2-CD1 3.43Å; Y31-L33 VanDerWaalsContact CE2-CD1 3.43Å; Y31-L33 HydrophobicContact CE2-CD2 3.69Å; Y31-L33 HydrophobicContact CE2-CG 3.4Å; L33-V35 PolarHBondContact O-N 3.11Å; L33-T45 CarbonylContact O-C 3.45Å; L33-T45 WeakPolarHBondContact O-CA 3.35Å; L33-D46 PolarHBondContact N-O 2.69Å; L33-D46 PolarHBondContact O-N 2.92Å
34	D	57.1	Low	51.4	Low	111 Å²	111	90.9 Å²	90.9	59%	0.594	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	105.5	168.9	-74	-18.8	0	0	0	109.8	I43 T45	D34-I43 HydrophobicContact CB-CG2 3.61Å; D34-T45 WeakPolarHBondContact OD1-CB 3.47Å; D34-T45 WeakPolarHBondContact OD1-CG2 3.15Å; D34-T45 PolarHBondContact OD1-OG1 3.26Å
35	V	58.1	Low	51.2	Low	69 Å²	69	89 Å²	89	42%	0.418	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	107.4	175.6	-174.3	0	0	0	0	108.1	L33 I43 T44	L33-V35 PolarHBondContact O-N 3.11Å; V35-I43 WeakPolarHBondContact O-CA 3.27Å; V35-T44 PolarHBondContact N-O 2.84Å; V35-T44 PolarHBondContact O-N 2.84Å; V35-T44 PolarHBondContact O-OG1 3.21Å
36	K	48.6	Very low	51	Low	123 Å²	123	87.7 Å²	87.7	54%	0.535	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	121	175	-173.7	172	175	-179.3	0	110	T38 I43	K36-T38 PolarHBondContact O-N 3.09Å; K36-I43 HydrophobicContact CB-CG1 4.04Å; K36-I43 HydrophobicContact CD-CG1 4.35Å; K36-I43 HydrophobicContact CG-CG1 3.97Å
37	C	41.9	Very low	50.9	Low	35 Å²	35	87.3 Å²	87.3	24%	0.236	47%	0.467	C	S	.	.			trans	-68.6	123	172.5	179.8	0	0	0	0	110.2	G39 C40 Y41 K42	C37-G39 PolarHBondContact O-N 2.96Å; C37-G39 PolarHBondContact SG-N 2.66Å; C37-G39 VanDerWaalsContact SG-N 3.42Å; C37-C40 PolarHBondContact SG-N 2.84Å; C37-Y41 WeakPolarHBondContact O-CA 3.45Å; C37-Y41 PolarHBondContact O-N 2.81Å; C37-K42 WeakPolarHBondContact CB-O 3.47Å; C37-K42 PolarHBondContact N-O 3.02Å
38	T	36.3	Very low	50.8	Low	81 Å²	81	86.1 Å²	86.1	50%	0.497	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.4	176.4	50.7	0	0	0	0	113.4	K36	K36-T38 PolarHBondContact O-N 3.09Å
39	G	37.2	Very low	51.1	Low	44 Å²	44	87 Å²	87	45%	0.454	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-45.3	179.4	0	0	0	0	0	114.1	C37	C37-G39 PolarHBondContact O-N 2.96Å; C37-G39 PolarHBondContact SG-N 2.66Å; C37-G39 VanDerWaalsContact SG-N 3.42Å
40	C	45.9	Very low	50.5	Low	87 Å²	87	86.4 Å²	86.4	59%	0.588	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	6.4	-177.4	67.6	0	0	0	0	114.2	C37 K42	C37-C40 PolarHBondContact SG-N 2.84Å; C40-K42 PolarHBondContact O-N 3.3Å
41	Y	39.2	Very low	50.2	Low	136 Å²	136	92.6 Å²	92.6	53%	0.533	48%	0.48	S	S	.	.			trans	60.9	1.4	178	-57.5	-82.7	0	0	0	116.4	C37 I43	C37-Y41 WeakPolarHBondContact O-CA 3.45Å; C37-Y41 PolarHBondContact O-N 2.81Å; Y41-I43 PolarHBondContact O-N 3.3Å
42	K	52	Low	49.4	Very low	146 Å²	146	93.3 Å²	93.3	64%	0.635	50%	0.495	S	S	*	.			trans	-62.1	132.1	172.8	-168.4	174	-178.3	178.3	0	110.4	C37 C40	C37-K42 WeakPolarHBondContact CB-O 3.47Å; C37-K42 PolarHBondContact N-O 3.02Å; C40-K42 PolarHBondContact O-N 3.3Å
43	I	56.3	Low	48.5	Very low	95 Å²	95	92.1 Å²	92.1	49%	0.487	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.9	174.4	-59	173.7	0	0	0	107.7	D34 V35 K36 Y41	D34-I43 HydrophobicContact CB-CG2 3.61Å; V35-I43 WeakPolarHBondContact O-CA 3.27Å; K36-I43 HydrophobicContact CB-CG1 4.04Å; K36-I43 HydrophobicContact CD-CG1 4.35Å; K36-I43 HydrophobicContact CG-CG1 3.97Å; Y41-I43 PolarHBondContact O-N 3.3Å
44	T	53.4	Low	47.2	Very low	67 Å²	67	94.1 Å²	94.1	41%	0.411	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129	169.6	37.3	0	0	0	0	109	V35	V35-T44 PolarHBondContact N-O 2.84Å; V35-T44 PolarHBondContact O-N 2.84Å; V35-T44 PolarHBondContact O-OG1 3.21Å
45	T	61.9	Low	45.8	Very low	81 Å²	81	95.7 Å²	95.7	50%	0.497	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	108.5	178.3	-51.1	0	0	0	0	109	F32 L33 D34	F32-T45 HydrophobicContact CB-CG2 3.73Å; F32-T45 HydrophobicContact CD1-CG2 3.92Å; F32-T45 HydrophobicContact CG-CG2 4.21Å; L33-T45 CarbonylContact O-C 3.45Å; L33-T45 WeakPolarHBondContact O-CA 3.35Å; D34-T45 WeakPolarHBondContact OD1-CB 3.47Å; D34-T45 WeakPolarHBondContact OD1-CG2 3.15Å; D34-T45 PolarHBondContact OD1-OG1 3.26Å
46	D	52.9	Low	44.2	Very low	90 Å²	90	99.2 Å²	99.2	48%	0.481	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	142.1	178.1	-76.4	-34.4	0	0	0	111.2	F32 L33	F32-D46 WeakPolarHBondContact CA-O 3.14Å; L33-D46 PolarHBondContact N-O 2.69Å; L33-D46 PolarHBondContact O-N 2.92Å
47	F	48.4	Very low	43.1	Very low	114 Å²	114	99.8 Å²	99.8	50%	0.5	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.2	174.7	-174.9	-105.1	0	0	0	109.9	S30 F32 H49	S30-F47 VanDerWaalsContact CB-CZ 3.43Å; F32-F47 HydrophobicContact CD1-CB 4.46Å; F32-F47 HydrophobicContact CD1-CD2 4.08Å; F32-F47 HydrophobicContact CE1-CB 4.39Å; F32-F47 AromaticContact CE1-CD2 3.74Å; F32-F47 HydrophobicContact CE1-CD2 3.74Å; F32-F47 HydrophobicContact CE2-CD2 4.47Å; F32-F47 AromaticContact CZ-CD2 3.96Å; F32-F47 HydrophobicContact CZ-CD2 3.96Å; F32-F47 HydrophobicContact CZ-CE2 4.34Å; F47-H49 AromaticContact CE1-CE1 3.27Å; F47-H49 WeakPolarHBondContact CE1-CE1 3.37Å; F47-H49 AromaticContact CE1-NE2 3.52Å; F47-H49 AromaticContact CZ-CE1 3.8Å
48	S	50.9	Low	42.2	Very low	30 Å²	30	103.2 Å²	103.2	21%	0.21	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-120	147	-176.4	-176.6	0	0	0	0	113.5	S30 Y31 A50	S30-S48 WeakPolarHBondContact CA-O 3.45Å; Y31-S48 PolarHBondContact N-O 2.8Å; Y31-S48 PolarHBondContact O-N 2.87Å; Y31-S48 VanDerWaalsContact O-N 3.15Å; S48-A50 PolarHBondContact OG-N 2.81Å
49	H	55.8	Low	41.7	Very low	124 Å²	124	107.3 Å²	107.3	57%	0.574	58%	0.58	S	S	*	*			trans	-108.5	-2.9	172.8	-68.9	-47.9	0	0	0	113.6	F47	F47-H49 AromaticContact CE1-CE1 3.27Å; F47-H49 WeakPolarHBondContact CE1-CE1 3.37Å; F47-H49 AromaticContact CE1-NE2 3.52Å; F47-H49 AromaticContact CZ-CE1 3.8Å
50	A	45.5	Very low	41.1	Very low	34 Å²	34	108.8 Å²	108.8	28%	0.281	60%	0.595	S	S	.	*			trans	-88.4	129.3	-173.8	0	0	0	0	0	111.8	Y31 S48 T52 V54	Y31-A50 PolarHBondContact OH-O 3.14Å; S48-A50 PolarHBondContact OG-N 2.81Å; A50-T52 VanDerWaalsContact C-N 3.35Å; A50-V54 HydrophobicContact CB-CG2 4.4Å
51	Q	45.3	Very low	40.1	Very low	157 Å²	157	110.5 Å²	110.5	73%	0.734	61%	0.608	S	S	*	*	S	Bend	trans	-87	-7.7	167	-78.4	-176.5	-28.8	0	0	112.7
52	T	39.6	Very low	39.5	Very low	116 Å²	116	115 Å²	115	71%	0.712	62%	0.624	S	S	*	*	S	Bend	trans	-111.6	134.6	-179.6	-27.4	0	0	0	0	109.2	A50 V54	A50-T52 VanDerWaalsContact C-N 3.35Å; T52-V54 PolarHBondContact O-N 3.37Å
53	V	36.1	Very low	38.1	Very low	124 Å²	124	112.8 Å²	112.8	75%	0.752	63%	0.633	S	S	*	*			trans	-60.8	109.1	171.8	179.6	0	0	0	0	107.6	L55	V53-L55 VanDerWaalsContact C-N 3.32Å; V53-L55 HydrophobicContact CG1-CG 4.28Å; V53-L55 PolarHBondContact O-N 2.83Å
54	V	28.8	Very low	36.7	Very low	113 Å²	113	119.1 Å²	119.1	69%	0.685	65%	0.651	S	S	*	*			trans	-76	90.6	174.5	-177.1	0	0	0	0	107.2	A50 T52 Q56	A50-V54 HydrophobicContact CB-CG2 4.4Å; T52-V54 PolarHBondContact O-N 3.37Å; V54-Q56 PolarHBondContact O-N 3.29Å
55	L	28.1	Very low	35.4	Very low	143 Å²	143	123.6 Å²	123.6	75%	0.749	67%	0.673	S	S	*	*			trans	-73.7	100.1	160.1	-73.9	165.3	0	0	0	106.1	V53 I57	V53-L55 VanDerWaalsContact C-N 3.32Å; V53-L55 HydrophobicContact CG1-CG 4.28Å; V53-L55 PolarHBondContact O-N 2.83Å; L55-I57 PolarHBondContact O-N 3.15Å
56	Q	24	Very low	33.5	Very low	143 Å²	143	131.9 Å²	131.9	67%	0.668	70%	0.695	S	S	*	*			trans	-73.4	91.3	-178.3	-160.4	-176.8	-18.7	0	0	109.5	V54	V54-Q56 PolarHBondContact O-N 3.29Å
57	I	24.4	Very low	32.2	Very low	135 Å²	135	131.1 Å²	131.1	69%	0.692	71%	0.708	S	S	*	*			trans	-90.8	95.3	167.5	-56.6	170.2	0	0	0	106	L55 Q59	L55-I57 PolarHBondContact O-N 3.15Å; I57-Q59 VanDerWaalsContact C-N 3.33Å; I57-Q59 HydrophobicContact CG2-CG 4.17Å; I57-Q59 PolarHBondContact O-N 3.32Å
58	S	24.3	Very low	31	Very low	108 Å²	108	134.8 Å²	134.8	76%	0.755	73%	0.727	S	S	*	*			trans	-77.8	85.1	173.6	55.8	0	0	0	0	109.7
59	Q	25	Very low	29.8	Very low	167 Å²	167	140.1 Å²	140.1	78%	0.78	76%	0.758	S	S	*	*			trans	-81.7	115.4	158.8	-78.4	-176.6	1	0	0	108.4	I57 S61	I57-Q59 VanDerWaalsContact C-N 3.33Å; I57-Q59 HydrophobicContact CG2-CG 4.17Å; I57-Q59 PolarHBondContact O-N 3.32Å; Q59-S61 PolarHBondContact O-N 2.77Å
60	G	24.9	Very low	28.3	Very low	75 Å²	75	139.1 Å²	139.1	77%	0.773	77%	0.765	S	S	*	*			trans	-58.9	118.6	172.3	0	0	0	0	0	110.2	R62	G60-R62 PolarHBondContact O-N 3.28Å
61	S	25.3	Very low	27.3	Very low	123 Å²	123	146.1 Å²	146.1	86%	0.86	79%	0.792	S	S	*	*			trans	-69.4	90.4	178.9	-20.8	0	0	0	0	109.1	Q59 A63	Q59-S61 PolarHBondContact O-N 2.77Å; S61-A63 PolarHBondContact O-N 2.65Å
62	R	25.4	Very low	26.3	Very low	229 Å²	229	144.2 Å²	144.2	86%	0.864	79%	0.793	S	S	*	*			trans	-84.3	90.7	164.3	-115.3	179.4	-179	172.1	0.9	107.8	G60 R64	G60-R62 PolarHBondContact O-N 3.28Å; R62-R64 PolarHBondContact O-N 3.32Å; R62-R64 VanDerWaalsContact O-N 3.11Å
63	A	23.8	Very low	25.7	Very low	101 Å²	101	147.8 Å²	147.8	84%	0.835	80%	0.802	S	S	*	*			trans	-64.1	104.4	163.1	0	0	0	0	0	108.2	S61	S61-A63 PolarHBondContact O-N 2.65Å
64	R	27.5	Very low	25.2	Very low	227 Å²	227	147.5 Å²	147.5	86%	0.857	80%	0.803	S	S	*	*			trans	-124.9	129.7	164	-114.2	-177.9	-177.9	178.5	-0.9	108.8	R62	R62-R64 PolarHBondContact O-N 3.32Å; R62-R64 VanDerWaalsContact O-N 3.11Å
65	N	25.3	Very low	25.2	Very low	162 Å²	162	150 Å²	150	87%	0.866	81%	0.812	S	S	*	*			trans	-55.5	138.9	-165.4	-72.7	-36.1	0	0	0	113.9	G67	N65-G67 PolarHBondContact O-N 3.17Å
66	R	22.6	Very low	25	Very low	255 Å²	255	152.4 Å²	152.4	96%	0.962	82%	0.819	S	S	*	*			trans	-59.2	107.3	163.5	-75.8	174	169.9	171.4	-4.8	109.4
67	G	25.3	Very low	25.1	Very low	74 Å²	74	154.6 Å²	154.6	76%	0.763	83%	0.829	S	S	*	*			trans	-97.2	121.8	154.7	0	0	0	0	0	107.8	N65	N65-G67 PolarHBondContact O-N 3.17Å
68	Q	23.5	Very low	25.2	Very low	190 Å²	190	155.4 Å²	155.4	89%	0.888	83%	0.834	S	S	*	*			trans	-71.8	128.4	176.5	-67.5	160.7	-39.5	0	0	109.9
69	T	25.9	Very low	25.1	Very low	142 Å²	142	160.1 Å²	160.1	87%	0.871	84%	0.841	S	S	*	*			trans	-150.2	120.4	144.8	36.2	0	0	0	0	109.1
70	S	22.7	Very low	25.2	Very low	104 Å²	104	159.8 Å²	159.8	73%	0.727	84%	0.839	S	S	*	*			trans	-72.8	136.1	169.6	44.6	0	0	0	0	111.1
71	H	26.2	Very low	25.4	Very low	180 Å²	180	162 Å²	162	83%	0.833	84%	0.84	S	S	*	*				175.4	137.4	123.7	-104.7	-83.9	0	0	0	110.2
72	P	23.6	Very low	25.3	Very low	117 Å²	117	165.2 Å²	165.2	76%	0.76	84%	0.842	S	S	*	*			trans	-99.3	138.5	178.8	36	-26.8	0	0	0	111.3
73	E	26.6	Very low	25.3	Very low	192 Å²	192	157.5 Å²	157.5	90%	0.897	83%	0.834	S	S	*	*			trans	-149.6	136.9	155.4	-129.9	172.2	-167	0	0	109.8
74	P	25.9	Very low	25.3	Very low	118 Å²	118	159.4 Å²	159.4	77%	0.766	84%	0.835	S	S	*	*			trans	-106.8	113.6	-170.6	34.5	-19.5	0	0	0	111
75	D	28.3	Very low	25	Very low	165 Å²	165	160.1 Å²	160.1	88%	0.882	84%	0.838	S	S	*	*			trans	-100.6	129.4	166.8	-79.9	-37.6	0	0	0	110.8	E77	D75-E77 PolarHBondContact O-N 3.23Å
76	E	24	Very low	24.9	Very low	193 Å²	193	156 Å²	156	90%	0.902	83%	0.826	S	S	*	*			trans	-58.2	112	177.6	-66.7	-179.3	126.8	0	0	111.4
77	E	26.9	Very low	25	Very low	189 Å²	189	150.2 Å²	150.2	88%	0.883	82%	0.821	S	S	*	*			trans	-114.8	128.3	160.8	-90.2	-171.2	159.3	0	0	111.6	D75	D75-E77 PolarHBondContact O-N 3.23Å
78	L	25.1	Very low	24.9	Very low	152 Å²	152	151.8 Å²	151.8	80%	0.796	82%	0.816	S	S	*	*			trans	-51.9	128.8	-173.8	-84.1	81.1	0	0	0	113.2	H80	L78-H80 PolarHBondContact O-N 3.28Å
79	K	23.5	Very low	25	Very low	207 Å²	207	148.2 Å²	148.2	90%	0.9	80%	0.803	S	S	*	*			trans	-64.5	107.5	167.1	-72.1	173.2	176.4	173	0	110.8
80	H	27.8	Very low	25.1	Very low	160 Å²	160	146.5 Å²	146.5	74%	0.741	80%	0.797	S	S	*	*			trans	-96.7	137.8	153.3	-78.4	-65.4	0	0	0	110	L78	L78-H80 PolarHBondContact O-N 3.28Å
81	P	27.4	Very low	25.5	Very low	121 Å²	121	148.8 Å²	148.8	79%	0.786	79%	0.789	S	S	*	*			trans	-74.4	133.4	-164.3	29.6	-33.4	0	0	0	111.7	G83	P81-G83 PolarHBondContact O-N 3.46Å
82	E	24.6	Very low	25.7	Very low	191 Å²	191	144.9 Å²	144.9	89%	0.893	78%	0.775	S	S	*	*			trans	-55.4	101.4	176.1	-68.5	178	144	0	0	110.9	T84	E82-T84 PolarHBondContact O-N 3.31Å; E82-T84 VanDerWaalsContact O-N 3.15Å
83	G	23.8	Very low	25.9	Very low	68 Å²	68	144.4 Å²	144.4	70%	0.701	77%	0.77	S	S	*	*			trans	-64.3	111	165.4	0	0	0	0	0	109.3	P81 R85	P81-G83 PolarHBondContact O-N 3.46Å; G83-R85 PolarHBondContact O-N 3.39Å
84	T	24	Very low	26.2	Very low	140 Å²	140	143.6 Å²	143.6	86%	0.859	76%	0.763	S	S	*	*			trans	-47.3	95.3	176.1	-41.3	0	0	0	0	111	E82 A86	E82-T84 PolarHBondContact O-N 3.31Å; E82-T84 VanDerWaalsContact O-N 3.15Å; T84-A86 PolarHBondContact O-N 2.79Å
85	R	22.6	Very low	26.5	Very low	243 Å²	243	145 Å²	145	92%	0.917	76%	0.764	S	S	*	*			trans	-67.5	107.6	172.1	-96.1	-177.6	175.2	176.6	-0.3	108.5	G83	G83-R85 PolarHBondContact O-N 3.39Å
86	A	22.7	Very low	27.1	Very low	76 Å²	76	138.6 Å²	138.6	63%	0.628	73%	0.729	S	S	*	*			trans	-56.5	137.4	169.5	0	0	0	0	0	110	T84 V88	T84-A86 PolarHBondContact O-N 2.79Å; A86-V88 PolarHBondContact O-N 2.93Å; A86-V88 VanDerWaalsContact O-N 3.08Å
87	P	23.9	Very low	28	Very low	132 Å²	132	134.7 Å²	134.7	86%	0.857	72%	0.723	S	S	*	*			trans	-67.4	110.9	-177.9	25.2	-31	0	0	0	110
88	V	22.9	Very low	28.8	Very low	108 Å²	108	126.3 Å²	126.3	66%	0.655	69%	0.685	S	S	*	*			trans	-71	137.8	174.1	179.5	0	0	0	0	109.2	A86 S90	A86-V88 PolarHBondContact O-N 2.93Å; A86-V88 VanDerWaalsContact O-N 3.08Å; V88-S90 PolarHBondContact O-N 3.48Å
89	N	27.6	Very low	29.9	Very low	115 Å²	115	122.7 Å²	122.7	62%	0.615	67%	0.672	S	S	*	*			trans	-57.6	131.7	-171.5	-154.7	3	0	0	0	111.3	R91 D92	N89-R91 PolarHBondContact O-N 2.97Å; N89-D92 PolarHBondContact O-N 2.76Å
90	S	26.9	Very low	31	Very low	105 Å²	105	115.2 Å²	115.2	73%	0.734	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	6.5	-166.1	64.8	0	0	0	0	117.6	V88	V88-S90 PolarHBondContact O-N 3.48Å
91	R	31.3	Very low	31.9	Very low	152 Å²	152	112.7 Å²	112.7	57%	0.574	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-18.6	175.6	-74.1	-173.2	176.4	165.6	1.8	114.3	N89 V93 E415	N89-R91 PolarHBondContact O-N 2.97Å; R91-V93 VanDerWaalsContact C-N 3.35Å; R91-V93 PolarHBondContact O-N 2.86Å; R91-E415 IonicContact NH1-OE1 2.65Å
92	D	29.7	Very low	33	Very low	99 Å²	99	113.9 Å²	113.9	53%	0.529	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.2	5.3	-176.8	-66	-32.1	0	0	0	114.1	N89	N89-D92 PolarHBondContact O-N 2.76Å
93	V	27.9	Very low	34.5	Very low	107 Å²	107	106 Å²	106	65%	0.648	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	1.4	-171.5	-177.8	0	0	0	0	114.5	R91	R91-V93 VanDerWaalsContact C-N 3.35Å; R91-V93 PolarHBondContact O-N 2.86Å
94	F	33	Very low	36.4	Very low	174 Å²	174	106.3 Å²	106.3	76%	0.763	58%	0.578	S	S	*	*			trans	-104.9	65	167.5	-71.8	-82.4	0	0	0	110.4	L96	F94-L96 PolarHBondContact O-N 2.89Å
95	L	32	Very low	38.6	Very low	149 Å²	149	99.8 Å²	99.8	78%	0.78	54%	0.538	S	S	*	.			trans	-61.4	107.4	160.9	-79.6	168.5	0	0	0	107.3	S97	L95-S97 PolarHBondContact O-N 3.37Å
96	L	41.4	Very low	41.1	Very low	30 Å²	30	88.3 Å²	88.3	16%	0.157	50%	0.495	C	S	.	.			trans	-60.1	101.7	171.1	-85.6	166.9	0	0	0	108.1	F94 L98 I426	F94-L96 PolarHBondContact O-N 2.89Å; L96-L98 HydrophobicContact CB-CD1 3.91Å; L96-L98 HydrophobicContact CB-CG 3.85Å; L96-L98 HydrophobicContact CD1-CD1 3.8Å; L96-L98 HydrophobicContact CD2-CD1 3.96Å; L96-L98 HydrophobicContact CD2-CD2 4.24Å; L96-L98 HydrophobicContact CD2-CG 3.9Å; L96-L98 HydrophobicContact CG-CD1 4.1Å; L96-L98 HydrophobicContact CG-CG 4.3Å; L96-L98 PolarHBondContact O-N 3.18Å; L96-I426 WeakPolarHBondContact O-CG2 3.22Å
97	S	42.6	Very low	44	Very low	111 Å²	111	85.3 Å²	85.3	78%	0.776	47%	0.468	S	S	*	.			trans	-74.9	57.5	162.9	70.5	0	0	0	0	109	L95 S99	L95-S97 PolarHBondContact O-N 3.37Å; S97-S99 PolarHBondContact O-N 3.16Å
98	L	45	Very low	46.9	Very low	13 Å²	13	79.5 Å²	79.5	7%	0.068	43%	0.429	C	S	.	.			trans	-73	107.6	169.4	-69.2	170.4	0	0	0	106.1	L96 V110 N111 L112 V427	L96-L98 HydrophobicContact CB-CD1 3.91Å; L96-L98 HydrophobicContact CB-CG 3.85Å; L96-L98 HydrophobicContact CD1-CD1 3.8Å; L96-L98 HydrophobicContact CD2-CD1 3.96Å; L96-L98 HydrophobicContact CD2-CD2 4.24Å; L96-L98 HydrophobicContact CD2-CG 3.9Å; L96-L98 HydrophobicContact CG-CD1 4.1Å; L96-L98 HydrophobicContact CG-CG 4.3Å; L96-L98 PolarHBondContact O-N 3.18Å; L98-V110 HydrophobicContact CB-CG1 3.97Å; L98-V110 HydrophobicContact CD1-CG1 3.75Å; L98-V110 HydrophobicContact CD2-CG1 4.38Å; L98-V110 HydrophobicContact CG-CG1 4.25Å; L98-N111 WeakPolarHBondContact CD2-O 3.48Å; L98-L112 HydrophobicContact CD1-CD2 3.88Å; L98-L112 HydrophobicContact CD2-CD2 3.59Å; L98-L112 HydrophobicContact CG-CD2 4.41Å; L98-V427 HydrophobicContact CD1-CB 4.24Å; L98-V427 HydrophobicContact CD1-CG2 3.83Å
99	S	47.1	Very low	50	Low	76 Å²	76	74.4 Å²	74.4	53%	0.531	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-91.6	142	178.7	59.3	0	0	0	0	110.9	S97 N111	S97-S99 PolarHBondContact O-N 3.16Å; S99-N111 PolarHBondContact O-ND2 3.21Å
100	V	46.1	Very low	52.9	Low	49 Å²	49	69 Å²	69	30%	0.297	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-76.6	126.3	169.1	176.9	0	0	0	0	109.1	I108 T109 M422 N425	V100-I108 HydrophobicContact CG2-CG2 4.16Å; V100-T109 VanDerWaalsContact CA-O 3.25Å; V100-T109 WeakPolarHBondContact CA-O 3.05Å; V100-T109 WeakPolarHBondContact CG2-O 3.5Å; V100-M422 HydrophobicContact CG2-CE 4.27Å; V100-N425 HydrophobicContact CB-CB 3.96Å; V100-N425 HydrophobicContact CG2-CB 3.52Å
101	Q	47.5	Very low	55.9	Low	107 Å²	107	65.2 Å²	65.2	50%	0.5	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-98.5	147.5	164.9	-82.7	-170.9	-42.9	0	0	109.6	M103 N111	Q101-M103 PolarHBondContact O-N 3.39Å; Q101-N111 WeakPolarHBondContact CB-ND2 3.39Å; Q101-N111 WeakPolarHBondContact CG-ND2 3.1Å; Q101-N111 PolarHBondContact N-ND2 3.24Å; Q101-N111 VanDerWaalsContact N-ND2 3.12Å
102	K	50.2	Low	58.8	Low	146 Å²	146	59.2 Å²	59.2	64%	0.635	32%	0.32	S	S	*	.			trans	-68.4	112.6	169.7	-139.8	-179.6	-153.8	165.6	0	108.6	D561	K102-D561 VanDerWaalsContact CE-OD1 3.25Å; K102-D561 WeakPolarHBondContact CE-OD1 3.25Å; K102-D561 IonicContact NZ-OD1 2.9Å; K102-D561 PolarHBondContact NZ-OD1 2.89Å; K102-D561 IonicContact NZ-OD2 3.64Å; K102-D561 PolarHBondContact NZ-OD2 2.79Å
103	M	56.7	Low	61.6	Low	27 Å²	27	56.2 Å²	56.2	13%	0.133	31%	0.312	C	S	.	.			trans	-110.8	161.8	175.8	-74.1	-77.1	-77.8	0	0	108.9	Q101 Y105 T109 K154 L199 Q564	Q101-M103 PolarHBondContact O-N 3.39Å; M103-Y105 HydrophobicContact CB-CD2 4.03Å; M103-Y105 HydrophobicContact CE-CD2 3.93Å; M103-Y105 HydrophobicContact CE-CE2 3.76Å; M103-Y105 PolarHBondContact O-N 2.89Å; M103-Y105 VanDerWaalsContact O-N 3.11Å; M103-T109 HydrophobicContact CG-CG2 3.94Å; M103-K154 HydrophobicContact CE-CD 3.85Å; M103-K154 HydrophobicContact SD-CD 3.96Å; M103-L199 HydrophobicContact CE-CD2 4.4Å; M103-Q564 PolarHBondContact O-NE2 2.82Å; M103-Q564 VanDerWaalsContact O-NE2 3.11Å
104	P	64.3	Low	64.7	Low	74 Å²	74	57.8 Å²	57.8	48%	0.481	31%	0.311	S	S	.	.	S	Bend	trans	-65.3	-10.9	174.5	27.8	-36	0	0	0	113.2	P604	P104-P604 HydrophobicContact CB-CB 4.05Å; P104-P604 HydrophobicContact CB-CG 4.39Å; P104-P604 HydrophobicContact CG-CB 4.23Å; P104-P604 WeakPolarHBondContact O-CG 3.42Å
105	Y	69.4	Low	67.6	Low	3 Å²	3	49.7 Å²	49.7	1%	0.012	28%	0.275	C	S	.	.	S	Bend	trans	-81.1	125.7	173.4	-54	-75	0	0	0	110.2	M103 E107 M192 Q194 L199 F201 Q564 P604 V605 Y606	M103-Y105 HydrophobicContact CB-CD2 4.03Å; M103-Y105 HydrophobicContact CE-CD2 3.93Å; M103-Y105 HydrophobicContact CE-CE2 3.76Å; M103-Y105 PolarHBondContact O-N 2.89Å; M103-Y105 VanDerWaalsContact O-N 3.11Å; Y105-E107 PolarHBondContact O-N 2.82Å; Y105-M192 WeakPolarHBondContact OH-CE 3.46Å; Y105-Q194 PolarHBondContact OH-NE2 3.2Å; Y105-Q194 PolarHBondContact OH-OE1 3.25Å; Y105-L199 HydrophobicContact CE2-CD1 4Å; Y105-F201 HydrophobicContact CD1-CE1 4.12Å; Y105-F201 HydrophobicContact CD1-CZ 4.37Å; Y105-F201 HydrophobicContact CE1-CE1 4.07Å; Y105-F201 AromaticContact CE1-CZ 3.89Å; Y105-F201 HydrophobicContact CE1-CZ 3.89Å; Y105-Q564 PolarHBondContact O-NE2 2.65Å; Y105-P604 HydrophobicContact CD1-CB 3.47Å; Y105-P604 VanDerWaalsContact CD1-CB 3.47Å; Y105-P604 HydrophobicContact CE1-CB 3.42Å; Y105-P604 VanDerWaalsContact CE1-CB 3.42Å; Y105-P604 HydrophobicContact CG-CB 4.18Å; Y105-V605 WeakPolarHBondContact CE1-O 3.18Å; Y105-V605 PolarHBondContact OH-O 2.93Å; Y105-Y606 HydrophobicContact CD1-CD1 4.33Å; Y105-Y606 AromaticContact CD1-CD2 3.99Å; Y105-Y606 HydrophobicContact CD1-CD2 3.99Å; Y105-Y606 AromaticContact CD1-CE1 3.89Å; Y105-Y606 HydrophobicContact CD1-CE1 3.89Å; Y105-Y606 AromaticContact CD1-CE2 3.55Å; Y105-Y606 HydrophobicContact CD1-CE2 3.55Å; Y105-Y606 HydrophobicContact CD1-CG 4.37Å; Y105-Y606 AromaticContact CD1-CZ 3.5Å; Y105-Y606 VanDerWaalsContact CD1-CZ 3.5Å; Y105-Y606 HydrophobicContact CE1-CD2 4.2Å; Y105-Y606 HydrophobicContact CE1-CE2 4.21Å; Y105-Y606 HydrophobicContact CE1-CG 4.45Å
106	A	75.6	Confident	70.5	Confident	2 Å²	2	43.1 Å²	43.1	2%	0.017	24%	0.242	C	C	.	.	S	Bend	trans	-69.1	57	169.2	0	0	0	0	0	112.2	Q564 A567 L568 V586 P588 Y606	A106-Q564 VanDerWaalsContact CA-NE2 3.29Å; A106-A567 HydrophobicContact CB-CB 3.61Å; A106-L568 WeakPolarHBondContact O-CD1 3.31Å; A106-V586 WeakPolarHBondContact CB-O 3.3Å; A106-P588 HydrophobicContact CB-CG 4.08Å; A106-Y606 PolarHBondContact N-OH 3.45Å
107	E	83.5	Confident	73	Confident	12 Å²	12	41.9 Å²	41.9	6%	0.056	24%	0.235	C	C	.	.	S	Bend	trans	-137	148.3	-171.2	-69.8	-70	-174.3	0	0	110.1	Y105 T109 G151 V152 K571 Y606	Y105-E107 PolarHBondContact O-N 2.82Å; E107-T109 PolarHBondContact O-N 3.38Å; E107-G151 WeakPolarHBondContact OE2-CA 3.49Å; E107-V152 HydrophobicContact CB-CG2 3.88Å; E107-V152 HydrophobicContact CG-CG2 4Å; E107-K571 VanDerWaalsContact OE1-CE 3.31Å; E107-K571 WeakPolarHBondContact OE1-CE 3.44Å; E107-K571 IonicContact OE1-NZ 3.08Å; E107-K571 PolarHBondContact OE1-NZ 3.02Å; E107-K571 IonicContact OE2-NZ 3.06Å; E107-K571 PolarHBondContact OE2-NZ 3.32Å; E107-Y606 HydrophobicContact CG-CE1 4.1Å; E107-Y606 WeakPolarHBondContact CG-OH 3.46Å
108	I	85	Confident	75.4	Confident	11 Å²	11	36.6 Å²	36.6	6%	0.056	20%	0.198	C	C	.	.			trans	-64.8	120.6	165.4	-51.4	173.7	0	0	0	107.1	V100 L145 G151 V152 M422	V100-I108 HydrophobicContact CG2-CG2 4.16Å; I108-L145 HydrophobicContact CB-CD2 4.08Å; I108-L145 HydrophobicContact CG2-CD2 4.05Å; I108-G151 CarbonylContact O-C 3.6Å; I108-G151 VanDerWaalsContact O-CA 3.29Å; I108-G151 WeakPolarHBondContact O-CA 3.45Å; I108-V152 PolarHBondContact O-N 2.8Å; I108-M422 HydrophobicContact CG2-CE 3.91Å; I108-M422 HydrophobicContact CG2-CG 4.38Å
109	T	86.6	Confident	77.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.4	179.8	-57.9	0	0	0	0	111.5	V100 M103 E107 V152 K154	V100-T109 VanDerWaalsContact CA-O 3.25Å; V100-T109 WeakPolarHBondContact CA-O 3.05Å; V100-T109 WeakPolarHBondContact CG2-O 3.5Å; M103-T109 HydrophobicContact CG-CG2 3.94Å; E107-T109 PolarHBondContact O-N 3.38Å; T109-V152 CarbonylContact C-O 3.46Å; T109-V152 WeakPolarHBondContact CA-O 3.42Å; T109-K154 HydrophobicContact CG2-CB 3.99Å
110	V	90.1	Very high	79.8	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.3	175.2	-179.3	0	0	0	0	109.9	L98 L112 A141 L145 V152 I153 K154 M422 V427	L98-V110 HydrophobicContact CB-CG1 3.97Å; L98-V110 HydrophobicContact CD1-CG1 3.75Å; L98-V110 HydrophobicContact CD2-CG1 4.38Å; L98-V110 HydrophobicContact CG-CG1 4.25Å; V110-L112 HydrophobicContact CG1-CD2 4.26Å; V110-A141 HydrophobicContact CB-CB 4.43Å; V110-A141 HydrophobicContact CG1-CB 3.84Å; V110-L145 HydrophobicContact CG2-CD1 4.12Å; V110-L145 HydrophobicContact CG2-CD2 3.97Å; V110-L145 HydrophobicContact CG2-CG 4.07Å; V110-V152 PolarHBondContact N-O 2.8Å; V110-I153 CarbonylContact O-C 3.58Å; V110-I153 WeakPolarHBondContact O-CA 3.43Å; V110-K154 PolarHBondContact O-N 3.12Å; V110-M422 HydrophobicContact CG2-CE 3.98Å; V110-M422 HydrophobicContact CG2-SD 3.82Å; V110-V427 HydrophobicContact CG1-CG2 4.23Å; V110-V427 HydrophobicContact CG2-CG2 4.46Å
111	N	90	Very high	82	Confident	25 Å²	25	40.7 Å²	40.7	13%	0.134	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	112.5	179.2	-67.9	-68.2	0	0	0	112.2	L98 S99 Q101 K154	L98-N111 WeakPolarHBondContact CD2-O 3.48Å; S99-N111 PolarHBondContact O-ND2 3.21Å; Q101-N111 WeakPolarHBondContact CB-ND2 3.39Å; Q101-N111 WeakPolarHBondContact CG-ND2 3.1Å; Q101-N111 PolarHBondContact N-ND2 3.24Å; Q101-N111 VanDerWaalsContact N-ND2 3.12Å; N111-K154 WeakPolarHBondContact CA-O 3.43Å; N111-K154 WeakPolarHBondContact OD1-CB 2.97Å; N111-K154 WeakPolarHBondContact OD1-CD 3.1Å
112	L	90.5	Very high	84.2	Confident	27 Å²	27	35.6 Å²	35.6	14%	0.141	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-11.2	-179.8	-63.8	-177.7	0	0	0	114.3	L98 V110 V115 I138 A141 I153 K154 A155	L98-L112 HydrophobicContact CD1-CD2 3.88Å; L98-L112 HydrophobicContact CD2-CD2 3.59Å; L98-L112 HydrophobicContact CG-CD2 4.41Å; V110-L112 HydrophobicContact CG1-CD2 4.26Å; L112-V115 HydrophobicContact CB-CG2 4.17Å; L112-I138 HydrophobicContact CD1-CB 4.18Å; L112-I138 HydrophobicContact CD1-CG1 3.37Å; L112-A141 HydrophobicContact CD2-CB 4.1Å; L112-I153 HydrophobicContact CD1-CG2 3.41Å; L112-I153 VanDerWaalsContact CD1-CG2 3.41Å; L112-I153 HydrophobicContact CD2-CG2 4.44Å; L112-I153 HydrophobicContact CG-CG2 3.62Å; L112-K154 PolarHBondContact N-O 3.14Å; L112-A155 HydrophobicContact CB-CB 4.46Å
113	G	89.5	Confident	86.1	Confident	35 Å²	35	35.5 Å²	35.5	36%	0.361	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.8	-148.2	-170	0	0	0	0	0	111.6	K156	G113-K156 PolarHBondContact O-N 2.9Å
114	K	92.8	Very high	87.7	Confident	141 Å²	141	41.2 Å²	41.2	61%	0.613	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	134.5	-178.2	-75.3	172.5	155.5	-132.7	0	111.2	K156 D158	K114-K156 CarbonylContact C-O 3.41Å; K114-K156 VanDerWaalsContact CA-O 3.3Å; K114-K156 WeakPolarHBondContact CA-O 3.04Å; K114-K156 HydrophobicContact CG-CB 4.19Å; K114-D158 HydrophobicContact CB-CB 4.44Å; K114-D158 WeakPolarHBondContact CD-OD1 3.11Å; K114-D158 WeakPolarHBondContact CE-OD1 3.17Å; K114-D158 IonicContact NZ-OD1 3.45Å; K114-D158 PolarHBondContact NZ-OD1 2.91Å
115	V	93.6	Very high	89	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.024	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	137.8	178.3	-179.6	0	0	0	0	110	L112 L117 E134 I138 A155 K156 D158	L112-V115 HydrophobicContact CB-CG2 4.17Å; V115-L117 HydrophobicContact CG1-CD2 4.04Å; V115-L117 HydrophobicContact CG1-CG 4.3Å; V115-E134 HydrophobicContact CG1-CB 4.27Å; V115-E134 HydrophobicContact CG1-CG 4.36Å; V115-I138 HydrophobicContact CG1-CD1 3.94Å; V115-A155 HydrophobicContact CB-CB 4.21Å; V115-A155 HydrophobicContact CG2-CB 3.93Å; V115-K156 PolarHBondContact N-O 3.5Å; V115-D158 PolarHBondContact O-N 3.17Å
116	T	94.1	Very high	90	Very high	11 Å²	11	46 Å²	46	7%	0.067	24%	0.235	C	C	.	.			trans	-79	125.6	172.4	-46.1	0	0	0	0	109.9	N121 R122 M125 E134 D159	T116-N121 HydrophobicContact CG2-CB 3.94Å; T116-R122 HydrophobicContact CG2-CG 4.42Å; T116-R122 PolarHBondContact O-NH1 2.85Å; T116-M125 HydrophobicContact CG2-CE 4.49Å; T116-M125 HydrophobicContact CG2-CG 3.85Å; T116-M125 HydrophobicContact CG2-SD 3.81Å; T116-M125 WeakPolarHBondContact OG1-CE 3.31Å; T116-E134 PolarHBondContact N-OE1 3.16Å; T116-E134 VanDerWaalsContact N-OE1 3.15Å; T116-E134 PolarHBondContact N-OE2 3.43Å; T116-E134 PolarHBondContact OG1-OE1 3.21Å; T116-D159 WeakPolarHBondContact CG2-OD2 3.41Å
117	L	93.7	Very high	90.7	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	25%	0.25	C	S	.	.			trans	-128.3	152.6	-177.7	-65	173	0	0	0	111.4	V115 N121 I157 D159 Y162 L169 L173 F198	V115-L117 HydrophobicContact CG1-CD2 4.04Å; V115-L117 HydrophobicContact CG1-CG 4.3Å; L117-N121 WeakPolarHBondContact O-CB 3.37Å; L117-N121 PolarHBondContact O-ND2 3.17Å; L117-I157 HydrophobicContact CD1-CG1 4.39Å; L117-D159 PolarHBondContact N-OD2 3.07Å; L117-Y162 VanDerWaalsContact C-CE2 3.47Å; L117-Y162 HydrophobicContact CB-CD1 4.31Å; L117-Y162 HydrophobicContact CB-CD2 3.92Å; L117-Y162 HydrophobicContact CB-CE1 3.89Å; L117-Y162 HydrophobicContact CB-CE2 3.47Å; L117-Y162 VanDerWaalsContact CB-CE2 3.47Å; L117-Y162 HydrophobicContact CB-CG 4.31Å; L117-Y162 VanDerWaalsContact CB-CZ 3.43Å; L117-Y162 HydrophobicContact CD1-CE1 3.87Å; L117-Y162 WeakPolarHBondContact O-CD2 3.43Å; L117-L169 HydrophobicContact CD2-CD2 4.4Å; L117-L173 HydrophobicContact CD2-CD1 3.83Å; L117-F198 HydrophobicContact CD1-CB 3.72Å; L117-F198 HydrophobicContact CD1-CD1 3.75Å; L117-F198 HydrophobicContact CD1-CD2 4.28Å; L117-F198 HydrophobicContact CD1-CE1 4.45Å; L117-F198 HydrophobicContact CD1-CG 3.64Å
118	G	92.6	Very high	91	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	99.9	143.3	-179.6	0	0	0	0	0	112.9	E120 N121 R122 H167 L169	G118-E120 PolarHBondContact O-N 2.78Å; G118-N121 PolarHBondContact O-N 3.47Å; G118-R122 VanDerWaalsContact O-CB 3.28Å; G118-R122 WeakPolarHBondContact O-CB 3.36Å; G118-R122 VanDerWaalsContact O-CG 3.24Å; G118-R122 WeakPolarHBondContact O-CG 3.35Å; G118-R122 PolarHBondContact O-N 2.79Å; G118-H167 WeakPolarHBondContact CA-O 3.37Å; G118-L169 PolarHBondContact N-O 2.91Å
119	E	93	Very high	91.4	Very high	53 Å²	53	54.8 Å²	54.8	25%	0.248	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-42.4	-171.4	176.9	60.3	-176.3	0	0	113.5	K123 H167 G170 Q171	E119-K123 HydrophobicContact CG-CD 4.33Å; E119-K123 WeakPolarHBondContact O-CB 3.27Å; E119-K123 WeakPolarHBondContact O-CG 3.09Å; E119-K123 PolarHBondContact O-N 3.26Å; E119-K123 WeakPolarHBondContact OE1-CE 3.37Å; E119-K123 IonicContact OE1-NZ 3.93Å; E119-K123 PolarHBondContact OE1-NZ 2.89Å; E119-H167 PolarHBondContact N-O 3.15Å; E119-G170 WeakPolarHBondContact OE2-CA 3.48Å; E119-Q171 VanDerWaalsContact OE2-CB 3.24Å; E119-Q171 WeakPolarHBondContact OE2-CB 3.08Å; E119-Q171 PolarHBondContact OE2-N 2.88Å
120	E	91.1	Very high	91.7	Very high	133 Å²	133	58.3 Å²	58.3	62%	0.621	31%	0.311	S	S	*	.	H	α-helix	trans	-67.5	-53.1	179.1	-65.5	-179.8	169	0	0	110.8	G118 R122 K123 E124	G118-E120 PolarHBondContact O-N 2.78Å; E120-R122 VanDerWaalsContact C-N 3.3Å; E120-R122 PolarHBondContact O-N 3.47Å; E120-K123 WeakPolarHBondContact O-CA 3.43Å; E120-K123 WeakPolarHBondContact O-CB 3.42Å; E120-K123 PolarHBondContact O-N 2.62Å; E120-E124 WeakPolarHBondContact O-CG 3.44Å; E120-E124 PolarHBondContact O-N 3.33Å
121	N	92.3	Very high	91.9	Very high	38 Å²	38	60.6 Å²	60.6	20%	0.203	32%	0.321	C	S	.	.	H	α-helix	trans	-55.2	-45.7	176.9	-62.1	-18.1	0	0	0	111.5	T116 L117 G118 K123 E124 M125 D159	T116-N121 HydrophobicContact CG2-CB 3.94Å; L117-N121 WeakPolarHBondContact O-CB 3.37Å; L117-N121 PolarHBondContact O-ND2 3.17Å; G118-N121 PolarHBondContact O-N 3.47Å; N121-K123 VanDerWaalsContact C-N 3.3Å; N121-K123 PolarHBondContact O-N 2.79Å; N121-E124 PolarHBondContact O-N 3.24Å; N121-M125 WeakPolarHBondContact O-CG 3.48Å; N121-M125 PolarHBondContact O-N 2.96Å; N121-M125 VanDerWaalsContact O-N 3.12Å; N121-D159 PolarHBondContact ND2-OD2 3.22Å
122	R	93	Very high	91.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-66.5	-29.3	178.4	-69.6	-164.6	72.5	76.7	3.6	112.3	T116 G118 E120 M125 K131 E134 L169 D172	T116-R122 HydrophobicContact CG2-CG 4.42Å; T116-R122 PolarHBondContact O-NH1 2.85Å; G118-R122 VanDerWaalsContact O-CB 3.28Å; G118-R122 WeakPolarHBondContact O-CB 3.36Å; G118-R122 VanDerWaalsContact O-CG 3.24Å; G118-R122 WeakPolarHBondContact O-CG 3.35Å; G118-R122 PolarHBondContact O-N 2.79Å; E120-R122 VanDerWaalsContact C-N 3.3Å; E120-R122 PolarHBondContact O-N 3.47Å; R122-M125 HydrophobicContact CG-SD 4.4Å; R122-K131 VanDerWaalsContact NH2-CG 3.33Å; R122-K131 PolarHBondContact NH2-O 2.79Å; R122-K131 WeakPolarHBondContact O-CD 3.42Å; R122-K131 WeakPolarHBondContact O-CE 3.48Å; R122-K131 PolarHBondContact O-NZ 2.95Å; R122-E134 IonicContact CZ-OE2 2.76Å; R122-E134 IonicContact NH1-OE2 3.65Å; R122-E134 PolarHBondContact NH1-OE2 3.19Å; R122-E134 IonicContact NH2-OE2 3.11Å; R122-L169 WeakPolarHBondContact CD-O 3.48Å; R122-D172 WeakPolarHBondContact CD-OD1 3.44Å; R122-D172 IonicContact CZ-OD1 2.56Å; R122-D172 IonicContact CZ-OD2 2.82Å; R122-D172 IonicContact NE-OD1 3.91Å; R122-D172 PolarHBondContact NE-OD1 2.87Å; R122-D172 IonicContact NE-OD2 2.85Å; R122-D172 PolarHBondContact NE-OD2 2.88Å; R122-D172 IonicContact NH2-OD1 2.66Å; R122-D172 IonicContact NH2-OD2 2.64Å; R122-D172 PolarHBondContact NH2-OD2 2.94Å
123	K	91.6	Very high	92	Very high	143 Å²	143	69 Å²	69	62%	0.622	35%	0.353	S	S	*	.	H	α-helix	trans	-72.9	-36.5	172.2	-82.8	171.5	168.7	147.3	0	112.4	E119 E120 N121 M125	E119-K123 HydrophobicContact CG-CD 4.33Å; E119-K123 WeakPolarHBondContact O-CB 3.27Å; E119-K123 WeakPolarHBondContact O-CG 3.09Å; E119-K123 PolarHBondContact O-N 3.26Å; E119-K123 WeakPolarHBondContact OE1-CE 3.37Å; E119-K123 IonicContact OE1-NZ 3.93Å; E119-K123 PolarHBondContact OE1-NZ 2.89Å; E120-K123 WeakPolarHBondContact O-CA 3.43Å; E120-K123 WeakPolarHBondContact O-CB 3.42Å; E120-K123 PolarHBondContact O-N 2.62Å; N121-K123 VanDerWaalsContact C-N 3.3Å; N121-K123 PolarHBondContact O-N 2.79Å; K123-M125 VanDerWaalsContact C-N 3.28Å; K123-M125 PolarHBondContact O-N 2.84Å
124	E	90.6	Very high	92.3	Very high	148 Å²	148	68 Å²	68	69%	0.692	34%	0.338	S	S	*	.	H	α-helix	trans	-76.9	-11.5	-179.9	-68.7	-177.4	176.9	0	0	113.8	E120 N121 T126	E120-E124 WeakPolarHBondContact O-CG 3.44Å; E120-E124 PolarHBondContact O-N 3.33Å; N121-E124 PolarHBondContact O-N 3.24Å; E124-T126 PolarHBondContact O-N 3.31Å
125	M	91.4	Very high	92.4	Very high	33 Å²	33	62.2 Å²	62.2	16%	0.163	31%	0.314	C	S	.	.			trans	-56.3	106.4	174.1	-70.6	-178.2	83.3	0	0	112.1	T116 N121 R122 K123 N127 L130 K131 E134	T116-M125 HydrophobicContact CG2-CE 4.49Å; T116-M125 HydrophobicContact CG2-CG 3.85Å; T116-M125 HydrophobicContact CG2-SD 3.81Å; T116-M125 WeakPolarHBondContact OG1-CE 3.31Å; N121-M125 WeakPolarHBondContact O-CG 3.48Å; N121-M125 PolarHBondContact O-N 2.96Å; N121-M125 VanDerWaalsContact O-N 3.12Å; R122-M125 HydrophobicContact CG-SD 4.4Å; K123-M125 VanDerWaalsContact C-N 3.28Å; K123-M125 PolarHBondContact O-N 2.84Å; M125-N127 VanDerWaalsContact C-N 3.3Å; M125-N127 PolarHBondContact O-N 2.79Å; M125-L130 HydrophobicContact CE-CD2 4.26Å; M125-L130 HydrophobicContact CE-CG 4.13Å; M125-K131 HydrophobicContact CB-CB 4.47Å; M125-K131 HydrophobicContact CE-CB 3.83Å; M125-K131 HydrophobicContact CE-CG 4.46Å; M125-K131 HydrophobicContact SD-CB 3.73Å; M125-K131 HydrophobicContact SD-CD 4.23Å; M125-K131 HydrophobicContact SD-CG 3.74Å; M125-E134 WeakPolarHBondContact CE-OE2 3.3Å
126	T	89.2	Confident	92.4	Very high	145 Å²	145	64.5 Å²	64.5	89%	0.89	33%	0.33	S	S	*	.	S	Bend	trans	-67	-30.4	176.9	55.8	0	0	0	0	112.7	E124 S128	E124-T126 PolarHBondContact O-N 3.31Å; T126-S128 PolarHBondContact O-N 3.36Å
127	N	90.3	Very high	92.4	Very high	61 Å²	61	64.4 Å²	64.4	33%	0.326	33%	0.33	S	S	.	.			trans	-88.6	90.5	179.4	-170.4	-20.7	0	0	0	111.8	M125 C129 L130 K131	M125-N127 VanDerWaalsContact C-N 3.3Å; M125-N127 PolarHBondContact O-N 2.79Å; N127-C129 PolarHBondContact O-N 3.38Å; N127-C129 WeakPolarHBondContact OD1-CB 3.49Å; N127-C129 PolarHBondContact OD1-N 3.26Å; N127-C129 VanDerWaalsContact OD1-N 3.1Å; N127-L130 HydrophobicContact CB-CB 3.94Å; N127-L130 PolarHBondContact O-N 2.99Å; N127-L130 PolarHBondContact OD1-N 3.29Å; N127-K131 PolarHBondContact O-N 3.27Å
128	S	90.3	Very high	92.5	Very high	70 Å²	70	64.4 Å²	64.4	49%	0.49	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-22.9	178.6	77.3	0	0	0	0	114.4	T126 R132	T126-S128 PolarHBondContact O-N 3.36Å; S128-R132 WeakPolarHBondContact O-CG 3.31Å; S128-R132 PolarHBondContact O-N 3.37Å; S128-R132 PolarHBondContact O-NE 3.44Å; S128-R132 PolarHBondContact OG-NH2 3.43Å
129	C	92.7	Very high	92.6	Very high	77 Å²	77	64.8 Å²	64.8	52%	0.52	33%	0.332	S	S	.	.	H	α-helix	trans	-75	-47.8	176.9	-170.3	0	0	0	0	110.2	N127 K131 R132 H133	N127-C129 PolarHBondContact O-N 3.38Å; N127-C129 WeakPolarHBondContact OD1-CB 3.49Å; N127-C129 PolarHBondContact OD1-N 3.26Å; N127-C129 VanDerWaalsContact OD1-N 3.1Å; C129-K131 PolarHBondContact O-N 3.19Å; C129-R132 PolarHBondContact O-N 2.89Å; C129-H133 WeakPolarHBondContact O-CB 3.49Å; C129-H133 PolarHBondContact O-N 2.88Å
130	L	93.3	Very high	92.7	Very high	75 Å²	75	63.9 Å²	63.9	39%	0.393	33%	0.328	S	S	.	.	H	α-helix	trans	-59.5	-46.8	175.5	-179.6	62.7	0	0	0	111.4	M125 N127 R132 H133 E134	M125-L130 HydrophobicContact CE-CD2 4.26Å; M125-L130 HydrophobicContact CE-CG 4.13Å; N127-L130 HydrophobicContact CB-CB 3.94Å; N127-L130 PolarHBondContact O-N 2.99Å; N127-L130 PolarHBondContact OD1-N 3.29Å; L130-R132 VanDerWaalsContact C-N 3.28Å; L130-R132 PolarHBondContact O-N 3.01Å; L130-H133 WeakPolarHBondContact O-CB 3.41Å; L130-H133 PolarHBondContact O-N 2.97Å; L130-E134 HydrophobicContact CD1-CG 4.31Å; L130-E134 HydrophobicContact CG-CG 4.46Å; L130-E134 WeakPolarHBondContact O-CG 3.16Å; L130-E134 PolarHBondContact O-N 3.39Å
131	K	93.8	Very high	92.9	Very high	49 Å²	49	57.6 Å²	57.6	21%	0.213	30%	0.299	C	S	.	.	H	α-helix	trans	-53	-45.8	176.6	-175.8	178.5	179.6	169	0	112.3	R122 M125 N127 C129 N135	R122-K131 VanDerWaalsContact NH2-CG 3.33Å; R122-K131 PolarHBondContact NH2-O 2.79Å; R122-K131 WeakPolarHBondContact O-CD 3.42Å; R122-K131 WeakPolarHBondContact O-CE 3.48Å; R122-K131 PolarHBondContact O-NZ 2.95Å; M125-K131 HydrophobicContact CB-CB 4.47Å; M125-K131 HydrophobicContact CE-CB 3.83Å; M125-K131 HydrophobicContact CE-CG 4.46Å; M125-K131 HydrophobicContact SD-CB 3.73Å; M125-K131 HydrophobicContact SD-CD 4.23Å; M125-K131 HydrophobicContact SD-CG 3.74Å; N127-K131 PolarHBondContact O-N 3.27Å; C129-K131 PolarHBondContact O-N 3.19Å; K131-N135 PolarHBondContact O-N 2.94Å
132	R	90.6	Very high	93	Very high	145 Å²	145	55.8 Å²	55.8	55%	0.547	29%	0.289	S	S	.	.	H	α-helix	trans	-68.8	-38.8	177.7	-79.1	-179.7	-82.1	159	-10.8	112.4	S128 C129 L130 N135 S136	S128-R132 WeakPolarHBondContact O-CG 3.31Å; S128-R132 PolarHBondContact O-N 3.37Å; S128-R132 PolarHBondContact O-NE 3.44Å; S128-R132 PolarHBondContact OG-NH2 3.43Å; C129-R132 PolarHBondContact O-N 2.89Å; L130-R132 VanDerWaalsContact C-N 3.28Å; L130-R132 PolarHBondContact O-N 3.01Å; R132-N135 PolarHBondContact O-N 3.3Å; R132-S136 WeakPolarHBondContact O-CB 3.42Å; R132-S136 PolarHBondContact O-N 2.94Å
133	H	92.7	Very high	93	Very high	85 Å²	85	55.8 Å²	55.8	39%	0.394	29%	0.289	S	S	.	.	H	α-helix	trans	-62.5	-50.6	176.8	-178.7	70.3	0	0	0	111.1	C129 L130 N135 S136 S137	C129-H133 WeakPolarHBondContact O-CB 3.49Å; C129-H133 PolarHBondContact O-N 2.88Å; L130-H133 WeakPolarHBondContact O-CB 3.41Å; L130-H133 PolarHBondContact O-N 2.97Å; H133-N135 VanDerWaalsContact C-N 3.32Å; H133-N135 PolarHBondContact O-N 2.89Å; H133-S136 WeakPolarHBondContact O-CB 3.4Å; H133-S136 PolarHBondContact O-N 3.22Å; H133-S136 VanDerWaalsContact O-N 3.15Å; H133-S137 WeakPolarHBondContact O-CB 2.89Å; H133-S137 PolarHBondContact O-N 2.85Å; H133-S137 PolarHBondContact O-OG 3.31Å; H133-S137 VanDerWaalsContact O-OG 3.07Å
134	E	95	Very high	93.1	Very high	13 Å²	13	49 Å²	49	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-55.4	-45.9	176.1	-70.9	179.1	166	0	0	112.1	V115 T116 R122 M125 L130 S137 I138	V115-E134 HydrophobicContact CG1-CB 4.27Å; V115-E134 HydrophobicContact CG1-CG 4.36Å; T116-E134 PolarHBondContact N-OE1 3.16Å; T116-E134 VanDerWaalsContact N-OE1 3.15Å; T116-E134 PolarHBondContact N-OE2 3.43Å; T116-E134 PolarHBondContact OG1-OE1 3.21Å; R122-E134 IonicContact CZ-OE2 2.76Å; R122-E134 IonicContact NH1-OE2 3.65Å; R122-E134 PolarHBondContact NH1-OE2 3.19Å; R122-E134 IonicContact NH2-OE2 3.11Å; M125-E134 WeakPolarHBondContact CE-OE2 3.3Å; L130-E134 HydrophobicContact CD1-CG 4.31Å; L130-E134 HydrophobicContact CG-CG 4.46Å; L130-E134 WeakPolarHBondContact O-CG 3.16Å; L130-E134 PolarHBondContact O-N 3.39Å; E134-S137 PolarHBondContact O-N 2.81Å; E134-I138 WeakPolarHBondContact O-CG1 3.28Å; E134-I138 PolarHBondContact O-N 2.84Å
135	N	95.5	Very high	93.2	Very high	20 Å²	20	41.9 Å²	41.9	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-49.2	176.8	-172.5	-47.8	0	0	0	111.2	K131 R132 H133 S137 I138 V139 D172 L173 S176	K131-N135 PolarHBondContact O-N 2.94Å; R132-N135 PolarHBondContact O-N 3.3Å; H133-N135 VanDerWaalsContact C-N 3.32Å; H133-N135 PolarHBondContact O-N 2.89Å; N135-S137 PolarHBondContact O-N 3.4Å; N135-I138 PolarHBondContact O-N 3.22Å; N135-V139 VanDerWaalsContact O-CG2 3.28Å; N135-V139 WeakPolarHBondContact O-CG2 3.49Å; N135-V139 PolarHBondContact O-N 3.45Å; N135-D172 PolarHBondContact ND2-O 3.24Å; N135-D172 PolarHBondContact ND2-OD2 3.42Å; N135-L173 HydrophobicContact CB-CD2 3.9Å; N135-S176 PolarHBondContact ND2-OG 2.97Å; N135-S176 WeakPolarHBondContact OD1-CB 3.46Å; N135-S176 PolarHBondContact OD1-OG 3.19Å
136	S	94.2	Very high	93.1	Very high	51 Å²	51	40.4 Å²	40.4	36%	0.357	22%	0.219	S	C	.	.	H	α-helix	trans	-59.2	-45.1	177.3	-169.9	0	0	0	0	111.9	R132 H133 I138 V139 Q140	R132-S136 WeakPolarHBondContact O-CB 3.42Å; R132-S136 PolarHBondContact O-N 2.94Å; H133-S136 WeakPolarHBondContact O-CB 3.4Å; H133-S136 PolarHBondContact O-N 3.22Å; H133-S136 VanDerWaalsContact O-N 3.15Å; S136-I138 PolarHBondContact O-N 2.89Å; S136-V139 PolarHBondContact O-N 2.73Å; S136-Q140 WeakPolarHBondContact O-CB 3.3Å; S136-Q140 WeakPolarHBondContact O-CG 3.32Å; S136-Q140 PolarHBondContact O-N 2.86Å; S136-Q140 PolarHBondContact OG-NE2 3.37Å
137	S	94.2	Very high	93.1	Very high	9 Å²	9	34.8 Å²	34.8	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-41.9	179.5	-63	0	0	0	0	112.1	H133 E134 N135 A141	H133-S137 WeakPolarHBondContact O-CB 2.89Å; H133-S137 PolarHBondContact O-N 2.85Å; H133-S137 PolarHBondContact O-OG 3.31Å; H133-S137 VanDerWaalsContact O-OG 3.07Å; E134-S137 PolarHBondContact O-N 2.81Å; N135-S137 PolarHBondContact O-N 3.4Å; S137-A141 WeakPolarHBondContact O-CB 3.5Å; S137-A141 PolarHBondContact O-N 3.23Å
138	I	95.4	Very high	92.9	Very high	5 Å²	5	33 Å²	33	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-63.7	-49.1	175.4	-66.9	164.9	0	0	0	110.6	L112 V115 E134 N135 S136 Q140 A141 V142 L173 F177 I200	L112-I138 HydrophobicContact CD1-CB 4.18Å; L112-I138 HydrophobicContact CD1-CG1 3.37Å; V115-I138 HydrophobicContact CG1-CD1 3.94Å; E134-I138 WeakPolarHBondContact O-CG1 3.28Å; E134-I138 PolarHBondContact O-N 2.84Å; N135-I138 PolarHBondContact O-N 3.22Å; S136-I138 PolarHBondContact O-N 2.89Å; I138-Q140 VanDerWaalsContact C-N 3.34Å; I138-Q140 PolarHBondContact O-N 3.31Å; I138-A141 PolarHBondContact O-N 3.24Å; I138-V142 HydrophobicContact CG2-CG2 4.43Å; I138-V142 WeakPolarHBondContact O-CG2 3.28Å; I138-V142 PolarHBondContact O-N 3.16Å; I138-L173 HydrophobicContact CB-CD2 4.5Å; I138-L173 HydrophobicContact CD1-CD1 3.96Å; I138-L173 HydrophobicContact CD1-CD2 3.63Å; I138-L173 HydrophobicContact CD1-CG 4.48Å; I138-F177 HydrophobicContact CG2-CE1 3.74Å; I138-F177 HydrophobicContact CG2-CZ 3.53Å; I138-I200 HydrophobicContact CG2-CD1 4.05Å
139	V	94.9	Very high	92.4	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-62.6	-41.5	-177.8	171.1	0	0	0	0	111.6	N135 S136 V142 C143 L180	N135-V139 VanDerWaalsContact O-CG2 3.28Å; N135-V139 WeakPolarHBondContact O-CG2 3.49Å; N135-V139 PolarHBondContact O-N 3.45Å; S136-V139 PolarHBondContact O-N 2.73Å; V139-V142 PolarHBondContact O-N 3.23Å; V139-C143 WeakPolarHBondContact O-CB 3.34Å; V139-C143 PolarHBondContact O-N 2.98Å; V139-L180 HydrophobicContact CG1-CD2 4.37Å
140	Q	94.9	Very high	92.2	Very high	35 Å²	35	26.8 Å²	26.8	16%	0.164	14%	0.136	C	C	.	.	H	α-helix	trans	-64.7	-42.8	176.9	-71.5	174.5	-14	0	0	111.6	S136 I138 C143 A144 W420 V427	S136-Q140 WeakPolarHBondContact O-CB 3.3Å; S136-Q140 WeakPolarHBondContact O-CG 3.32Å; S136-Q140 PolarHBondContact O-N 2.86Å; S136-Q140 PolarHBondContact OG-NE2 3.37Å; I138-Q140 VanDerWaalsContact C-N 3.34Å; I138-Q140 PolarHBondContact O-N 3.31Å; Q140-C143 PolarHBondContact O-N 3.37Å; Q140-A144 VanDerWaalsContact O-CB 3.3Å; Q140-A144 WeakPolarHBondContact O-CB 3.49Å; Q140-A144 PolarHBondContact O-N 3.46Å; Q140-W420 HydrophobicContact CB-CD2 4.13Å; Q140-W420 HydrophobicContact CB-CE3 4.42Å; Q140-W420 HydrophobicContact CB-CG 4.39Å; Q140-W420 HydrophobicContact CG-CD2 3.8Å; Q140-W420 HydrophobicContact CG-CE3 4.03Å; Q140-W420 HydrophobicContact CG-CG 4.49Å; Q140-W420 HydrophobicContact CG-CH2 3.84Å; Q140-W420 HydrophobicContact CG-CZ2 3.61Å; Q140-W420 HydrophobicContact CG-CZ3 4.04Å; Q140-W420 VanDerWaalsContact NE2-CZ2 3.31Å; Q140-V427 HydrophobicContact CB-CG1 4.46Å
141	A	95.2	Very high	92.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-41.5	175.2	0	0	0	0	0	112.2	V110 L112 S137 I138 A144 L145 I153	V110-A141 HydrophobicContact CB-CB 4.43Å; V110-A141 HydrophobicContact CG1-CB 3.84Å; L112-A141 HydrophobicContact CD2-CB 4.1Å; S137-A141 WeakPolarHBondContact O-CB 3.5Å; S137-A141 PolarHBondContact O-N 3.23Å; I138-A141 PolarHBondContact O-N 3.24Å; A141-A144 PolarHBondContact O-N 3.34Å; A141-L145 WeakPolarHBondContact O-CB 3.39Å; A141-L145 WeakPolarHBondContact O-CG 3.31Å; A141-L145 PolarHBondContact O-N 3.01Å; A141-I153 HydrophobicContact CB-CD1 3.75Å; A141-I153 HydrophobicContact CB-CG1 4.13Å; A141-I153 HydrophobicContact CB-CG2 4.48Å
142	V	94.8	Very high	92	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.5	-50.5	174.4	171.2	0	0	0	0	110.4	I138 V139 A144 L145 L146 I153 F177 L180 L189	I138-V142 HydrophobicContact CG2-CG2 4.43Å; I138-V142 WeakPolarHBondContact O-CG2 3.28Å; I138-V142 PolarHBondContact O-N 3.16Å; V139-V142 PolarHBondContact O-N 3.23Å; V142-A144 VanDerWaalsContact C-N 3.34Å; V142-A144 PolarHBondContact O-N 3.07Å; V142-L145 PolarHBondContact O-N 3.09Å; V142-L146 HydrophobicContact CG1-CD1 3.7Å; V142-L146 HydrophobicContact CG1-CG 4.22Å; V142-L146 VanDerWaalsContact O-CG 3.23Å; V142-L146 WeakPolarHBondContact O-CG 3.29Å; V142-L146 PolarHBondContact O-N 3.37Å; V142-I153 HydrophobicContact CB-CD1 4.27Å; V142-I153 HydrophobicContact CG2-CD1 3.38Å; V142-F177 HydrophobicContact CG2-CE1 3.86Å; V142-F177 HydrophobicContact CG2-CZ 4.31Å; V142-L180 HydrophobicContact CB-CD2 4.18Å; V142-L180 HydrophobicContact CG1-CD2 3.65Å; V142-L189 HydrophobicContact CG1-CD1 4.4Å; V142-L189 HydrophobicContact CG1-CD2 3.84Å; V142-L189 HydrophobicContact CG2-CD2 4.35Å
143	C	93.1	Very high	92.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57.6	-46.5	178.9	-173	0	0	0	0	111.7	V139 Q140 L145 L146 N147 L180 C217 W420	V139-C143 WeakPolarHBondContact O-CB 3.34Å; V139-C143 PolarHBondContact O-N 2.98Å; Q140-C143 PolarHBondContact O-N 3.37Å; C143-L145 PolarHBondContact O-N 3.07Å; C143-L146 PolarHBondContact O-N 2.87Å; C143-N147 PolarHBondContact O-N 2.88Å; C143-N147 VanDerWaalsContact O-N 3.11Å; C143-N147 PolarHBondContact O-ND2 3.23Å; C143-L180 HydrophobicContact CB-CD1 4.46Å; C143-L180 HydrophobicContact CB-CD2 4.47Å; C143-C217 PolarHBondContact SG-O 2.91Å; C143-C217 VanDerWaalsContact SG-O 3.41Å; C143-W420 HydrophobicContact CB-CE3 3.9Å
144	A	93.3	Very high	92.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.6	-46.8	177.7	0	0	0	0	0	112.9	Q140 A141 V142 N147 S148 W420 M422 V427	Q140-A144 VanDerWaalsContact O-CB 3.3Å; Q140-A144 WeakPolarHBondContact O-CB 3.49Å; Q140-A144 PolarHBondContact O-N 3.46Å; A141-A144 PolarHBondContact O-N 3.34Å; V142-A144 VanDerWaalsContact C-N 3.34Å; V142-A144 PolarHBondContact O-N 3.07Å; A144-N147 PolarHBondContact O-N 2.85Å; A144-S148 VanDerWaalsContact O-CB 3.28Å; A144-S148 WeakPolarHBondContact O-CB 3.43Å; A144-S148 PolarHBondContact O-N 2.99Å; A144-S148 VanDerWaalsContact O-N 3.16Å; A144-S148 PolarHBondContact O-OG 3.42Å; A144-W420 WeakPolarHBondContact CA-O 3.44Å; A144-W420 HydrophobicContact CB-CB 3.88Å; A144-M422 HydrophobicContact CB-CG 4.32Å; A144-M422 HydrophobicContact CB-SD 4Å; A144-V427 HydrophobicContact CB-CB 4.44Å; A144-V427 HydrophobicContact CB-CG1 3.86Å; A144-V427 HydrophobicContact CB-CG2 4.05Å
145	L	91.9	Very high	92	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.8	-40.2	178.5	-71.4	177.2	0	0	0	111.9	I108 V110 A141 V142 C143 N147 S148 G149 G150 I153 V202 M422	I108-L145 HydrophobicContact CB-CD2 4.08Å; I108-L145 HydrophobicContact CG2-CD2 4.05Å; V110-L145 HydrophobicContact CG2-CD1 4.12Å; V110-L145 HydrophobicContact CG2-CD2 3.97Å; V110-L145 HydrophobicContact CG2-CG 4.07Å; A141-L145 WeakPolarHBondContact O-CB 3.39Å; A141-L145 WeakPolarHBondContact O-CG 3.31Å; A141-L145 PolarHBondContact O-N 3.01Å; V142-L145 PolarHBondContact O-N 3.09Å; C143-L145 PolarHBondContact O-N 3.07Å; L145-N147 VanDerWaalsContact C-N 3.27Å; L145-N147 PolarHBondContact O-N 3.03Å; L145-S148 PolarHBondContact O-N 3.39Å; L145-G149 PolarHBondContact O-N 2.76Å; L145-G150 VanDerWaalsContact O-CA 3.23Å; L145-G150 WeakPolarHBondContact O-CA 3.41Å; L145-G150 PolarHBondContact O-N 2.68Å; L145-I153 HydrophobicContact CD1-CD1 4.26Å; L145-I153 HydrophobicContact CD1-CG1 3.51Å; L145-V202 HydrophobicContact CB-CB 3.93Å; L145-V202 HydrophobicContact CB-CG1 3.83Å; L145-V202 HydrophobicContact CB-CG2 4.17Å; L145-V202 HydrophobicContact CD1-CB 4.17Å; L145-V202 HydrophobicContact CD1-CG2 3.81Å; L145-M422 HydrophobicContact CD2-CG 4.07Å; L145-M422 HydrophobicContact CD2-SD 4.35Å
146	L	89.7	Confident	91.9	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-56.3	-43.8	175.4	-72.1	167.7	0	0	0	111.4	V142 C143 S148 L180 L181 H188 V202 K203 W205 C217	V142-L146 HydrophobicContact CG1-CD1 3.7Å; V142-L146 HydrophobicContact CG1-CG 4.22Å; V142-L146 VanDerWaalsContact O-CG 3.23Å; V142-L146 WeakPolarHBondContact O-CG 3.29Å; V142-L146 PolarHBondContact O-N 3.37Å; C143-L146 PolarHBondContact O-N 2.87Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 2.91Å; L146-L180 HydrophobicContact CD1-CD2 4.34Å; L146-L181 HydrophobicContact CD1-CD2 3.86Å; L146-H188 HydrophobicContact CD2-CB 4.02Å; L146-V202 HydrophobicContact CD2-CG1 3.6Å; L146-V202 HydrophobicContact CG-CG1 3.7Å; L146-K203 VanDerWaalsContact CD2-O 3.28Å; L146-K203 WeakPolarHBondContact CD2-O 3.44Å; L146-W205 HydrophobicContact CB-CB 4.31Å; L146-W205 HydrophobicContact CB-CE3 4.35Å; L146-W205 HydrophobicContact CD1-CE3 4.2Å; L146-W205 HydrophobicContact CD1-CZ3 4.43Å; L146-W205 HydrophobicContact CD2-CE3 4.17Å; L146-W205 HydrophobicContact CG-CE3 4.48Å; L146-W205 VanDerWaalsContact O-CB 3.24Å; L146-W205 WeakPolarHBondContact O-CB 3.5Å; L146-W205 PolarHBondContact O-N 3.24Å; L146-W205 VanDerWaalsContact O-N 3.12Å; L146-C217 HydrophobicContact CB-CB 3.98Å; L146-C217 HydrophobicContact CD1-CB 4.04Å; L146-C217 VanDerWaalsContact CD1-SG 3.55Å
147	N	89.2	Confident	91.8	Very high	27 Å²	27	14 Å²	14	14%	0.144	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-4.8	178.9	-64.9	-24.7	0	0	0	114.1	C143 A144 L145 C217 S419 W420	C143-N147 PolarHBondContact O-N 2.88Å; C143-N147 VanDerWaalsContact O-N 3.11Å; C143-N147 PolarHBondContact O-ND2 3.23Å; A144-N147 PolarHBondContact O-N 2.85Å; L145-N147 VanDerWaalsContact C-N 3.27Å; L145-N147 PolarHBondContact O-N 3.03Å; N147-C217 PolarHBondContact ND2-O 3.41Å; N147-C217 WeakPolarHBondContact OD1-CB 3.47Å; N147-C217 PolarHBondContact OD1-N 3.14Å; N147-S419 PolarHBondContact ND2-OG 3.42Å; N147-W420 WeakPolarHBondContact CB-O 3.31Å; N147-W420 PolarHBondContact ND2-O 2.98Å
148	S	86.1	Confident	91.6	Very high	22 Å²	22	17 Å²	17	15%	0.154	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	22.5	-173.6	-48.5	0	0	0	0	114.8	A144 L145 L146 I421 M422	A144-S148 VanDerWaalsContact O-CB 3.28Å; A144-S148 WeakPolarHBondContact O-CB 3.43Å; A144-S148 PolarHBondContact O-N 2.99Å; A144-S148 VanDerWaalsContact O-N 3.16Å; A144-S148 PolarHBondContact O-OG 3.42Å; L145-S148 PolarHBondContact O-N 3.39Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 2.91Å; S148-I421 WeakPolarHBondContact OG-CG1 3.39Å; S148-M422 WeakPolarHBondContact OG-CB 3.42Å; S148-M422 PolarHBondContact OG-N 2.87Å
149	G	80.4	Confident	91.1	Very high	16 Å²	16	18.8 Å²	18.8	17%	0.165	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	12.7	179.3	0	0	0	0	0	114.8	L145 S204 K571 Q575	L145-G149 PolarHBondContact O-N 2.76Å; G149-S204 WeakPolarHBondContact CA-OG 3.35Å; G149-K571 PolarHBondContact O-NZ 3.44Å; G149-Q575 PolarHBondContact O-OE1 3.35Å
150	G	88	Confident	90.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.3	-176.5	-176.7	0	0	0	0	0	113.7	L145 V202	L145-G150 VanDerWaalsContact O-CA 3.23Å; L145-G150 WeakPolarHBondContact O-CA 3.41Å; L145-G150 PolarHBondContact O-N 2.68Å; G150-V202 CarbonylContact C-O 3.36Å; G150-V202 WeakPolarHBondContact CA-O 3.35Å
151	G	90.3	Very high	89.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.7	-157.1	-178.1	0	0	0	0	0	112.5	E107 I108 V202	E107-G151 WeakPolarHBondContact OE2-CA 3.49Å; I108-G151 CarbonylContact O-C 3.6Å; I108-G151 VanDerWaalsContact O-CA 3.29Å; I108-G151 WeakPolarHBondContact O-CA 3.45Å; G151-V202 PolarHBondContact N-O 3.5Å; G151-V202 PolarHBondContact O-N 3.37Å
152	V	91.7	Very high	89.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.5	179.2	-175.8	0	0	0	0	109.9	E107 I108 T109 V110 L199 I200 F201	E107-V152 HydrophobicContact CB-CG2 3.88Å; E107-V152 HydrophobicContact CG-CG2 4Å; I108-V152 PolarHBondContact O-N 2.8Å; T109-V152 CarbonylContact C-O 3.46Å; T109-V152 WeakPolarHBondContact CA-O 3.42Å; V110-V152 PolarHBondContact N-O 2.8Å; V152-L199 HydrophobicContact CG1-CB 4.19Å; V152-L199 HydrophobicContact CG1-CD2 4.13Å; V152-I200 CarbonylContact C-O 3.48Å; V152-I200 WeakPolarHBondContact CA-O 3.22Å; V152-F201 HydrophobicContact CG1-CE1 4.47Å; V152-F201 HydrophobicContact CG1-CZ 4.43Å; V152-F201 HydrophobicContact CG2-CD1 3.54Å; V152-F201 HydrophobicContact CG2-CE1 3.59Å; V152-F201 HydrophobicContact CG2-CG 4.24Å; V152-F201 HydrophobicContact CG2-CZ 4.31Å
153	I	93.7	Very high	89.5	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.5	168.5	-54	173	0	0	0	107.5	V110 L112 A141 V142 L145 L199 I200 V202	V110-I153 CarbonylContact O-C 3.58Å; V110-I153 WeakPolarHBondContact O-CA 3.43Å; L112-I153 HydrophobicContact CD1-CG2 3.41Å; L112-I153 VanDerWaalsContact CD1-CG2 3.41Å; L112-I153 HydrophobicContact CD2-CG2 4.44Å; L112-I153 HydrophobicContact CG-CG2 3.62Å; A141-I153 HydrophobicContact CB-CD1 3.75Å; A141-I153 HydrophobicContact CB-CG1 4.13Å; A141-I153 HydrophobicContact CB-CG2 4.48Å; V142-I153 HydrophobicContact CB-CD1 4.27Å; V142-I153 HydrophobicContact CG2-CD1 3.38Å; L145-I153 HydrophobicContact CD1-CD1 4.26Å; L145-I153 HydrophobicContact CD1-CG1 3.51Å; I153-L199 CarbonylContact O-C 3.52Å; I153-L199 VanDerWaalsContact O-CA 3.3Å; I153-L199 WeakPolarHBondContact O-CA 3.44Å; I153-I200 HydrophobicContact CB-CB 4.1Å; I153-I200 HydrophobicContact CD1-CB 4.44Å; I153-I200 PolarHBondContact N-O 3.05Å; I153-I200 PolarHBondContact O-N 3.17Å; I153-V202 HydrophobicContact CD1-CG2 4.14Å; I153-V202 HydrophobicContact CG1-CG2 4.28Å
154	K	92.1	Very high	89.4	Confident	26 Å²	26	35.8 Å²	35.8	11%	0.113	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.6	176.8	-179.1	174.1	-174.6	172.7	0	110.2	M103 T109 V110 N111 L112 D197 L199	M103-K154 HydrophobicContact CE-CD 3.85Å; M103-K154 HydrophobicContact SD-CD 3.96Å; T109-K154 HydrophobicContact CG2-CB 3.99Å; V110-K154 PolarHBondContact O-N 3.12Å; N111-K154 WeakPolarHBondContact CA-O 3.43Å; N111-K154 WeakPolarHBondContact OD1-CB 2.97Å; N111-K154 WeakPolarHBondContact OD1-CD 3.1Å; L112-K154 PolarHBondContact N-O 3.14Å; K154-D197 VanDerWaalsContact CE-OD1 3.31Å; K154-D197 WeakPolarHBondContact CE-OD1 3.47Å; K154-D197 WeakPolarHBondContact CE-OD2 3.36Å; K154-D197 IonicContact NZ-OD1 3.99Å; K154-D197 IonicContact NZ-OD2 3.85Å; K154-D197 PolarHBondContact NZ-OD2 3.17Å; K154-L199 HydrophobicContact CB-CD2 3.84Å; K154-L199 HydrophobicContact CD-CD2 4.36Å; K154-L199 HydrophobicContact CG-CD2 3.81Å
155	A	93.4	Very high	89.2	Confident	5 Å²	5	47 Å²	47	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133	175	0	0	0	0	0	110.1	L112 V115 F198	L112-A155 HydrophobicContact CB-CB 4.46Å; V115-A155 HydrophobicContact CB-CB 4.21Å; V115-A155 HydrophobicContact CG2-CB 3.93Å; A155-F198 PolarHBondContact N-O 3.42Å; A155-F198 PolarHBondContact O-N 3.38Å
156	K	93.3	Very high	89.2	Confident	115 Å²	115	51.8 Å²	51.8	50%	0.5	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	128.6	171.4	-69.3	-177.1	176.6	-176.1	0	108.9	G113 K114 V115 D158 D197	G113-K156 PolarHBondContact O-N 2.9Å; K114-K156 CarbonylContact C-O 3.41Å; K114-K156 VanDerWaalsContact CA-O 3.3Å; K114-K156 WeakPolarHBondContact CA-O 3.04Å; K114-K156 HydrophobicContact CG-CB 4.19Å; V115-K156 PolarHBondContact N-O 3.5Å; K156-D158 PolarHBondContact O-N 2.71Å; K156-D197 WeakPolarHBondContact CG-OD1 2.87Å
157	I	92.9	Very high	89.3	Confident	22 Å²	22	55 Å²	55	11%	0.113	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	120.9	178.8	-61.5	161.3	0	0	0	108.1	L117 D159 Y162 Q193 H196 F198	L117-I157 HydrophobicContact CD1-CG1 4.39Å; I157-D159 WeakPolarHBondContact CG2-O 3.09Å; I157-Y162 HydrophobicContact CD1-CD1 3.89Å; I157-Y162 HydrophobicContact CD1-CE1 4.2Å; I157-Y162 HydrophobicContact CG1-CD1 4.05Å; I157-Y162 HydrophobicContact CG1-CE1 4.35Å; I157-Y162 HydrophobicContact CG2-CD1 3.64Å; I157-Y162 HydrophobicContact CG2-CG 4.03Å; I157-Q193 HydrophobicContact CD1-CG 3.91Å; I157-H196 PolarHBondContact N-O 2.98Å; I157-F198 HydrophobicContact CD1-CB 4.24Å; I157-F198 HydrophobicContact CG1-CB 3.98Å
158	D	88.5	Confident	89.4	Confident	74 Å²	74	54.8 Å²	54.8	40%	0.396	29%	0.287	S	S	.	.			trans	-78.8	-35.7	178.3	-158	43	0	0	0	112.1	K114 V115 K156	K114-D158 HydrophobicContact CB-CB 4.44Å; K114-D158 WeakPolarHBondContact CD-OD1 3.11Å; K114-D158 WeakPolarHBondContact CE-OD1 3.17Å; K114-D158 IonicContact NZ-OD1 3.45Å; K114-D158 PolarHBondContact NZ-OD1 2.91Å; V115-D158 PolarHBondContact O-N 3.17Å; K156-D158 PolarHBondContact O-N 2.71Å
159	D	85.8	Confident	89.7	Confident	41 Å²	41	53.9 Å²	53.9	22%	0.219	28%	0.281	C	S	.	.			trans	-83	115.5	-175.8	-53	-71.4	0	0	0	112.6	T116 L117 N121 I157 G161 Y162	T116-D159 WeakPolarHBondContact CG2-OD2 3.41Å; L117-D159 PolarHBondContact N-OD2 3.07Å; N121-D159 PolarHBondContact ND2-OD2 3.22Å; I157-D159 WeakPolarHBondContact CG2-O 3.09Å; D159-G161 PolarHBondContact O-N 3.09Å; D159-G161 VanDerWaalsContact O-N 3.11Å; D159-Y162 WeakPolarHBondContact O-CB 3.34Å; D159-Y162 PolarHBondContact O-N 3.22Å; D159-Y162 VanDerWaalsContact O-N 3.13Å
160	K	79.5	Confident	90.3	Very high	220 Å²	220	53.2 Å²	53.2	96%	0.957	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.8	-175.3	-67.5	-174.7	179.3	-179.1	0	115.1
161	G	84	Confident	90.5	Very high	66 Å²	66	58 Å²	58	68%	0.68	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	0.1	179.7	0	0	0	0	0	114.6	D159 S163 H167	D159-G161 PolarHBondContact O-N 3.09Å; D159-G161 VanDerWaalsContact O-N 3.11Å; G161-S163 PolarHBondContact O-N 3.23Å; G161-H167 PolarHBondContact O-CE1 2.88Å; G161-H167 VanDerWaalsContact O-CE1 3.25Å
162	Y	91.9	Very high	90.7	Very high	10 Å²	10	59.8 Å²	59.8	4%	0.039	31%	0.305	C	S	.	.			trans	-73.4	122.7	-173.2	171.8	-94.1	0	0	0	112.6	L117 I157 D159 H167 G168 Q193 F198	L117-Y162 VanDerWaalsContact C-CE2 3.47Å; L117-Y162 HydrophobicContact CB-CD1 4.31Å; L117-Y162 HydrophobicContact CB-CD2 3.92Å; L117-Y162 HydrophobicContact CB-CE1 3.89Å; L117-Y162 HydrophobicContact CB-CE2 3.47Å; L117-Y162 VanDerWaalsContact CB-CE2 3.47Å; L117-Y162 HydrophobicContact CB-CG 4.31Å; L117-Y162 VanDerWaalsContact CB-CZ 3.43Å; L117-Y162 HydrophobicContact CD1-CE1 3.87Å; L117-Y162 WeakPolarHBondContact O-CD2 3.43Å; I157-Y162 HydrophobicContact CD1-CD1 3.89Å; I157-Y162 HydrophobicContact CD1-CE1 4.2Å; I157-Y162 HydrophobicContact CG1-CD1 4.05Å; I157-Y162 HydrophobicContact CG1-CE1 4.35Å; I157-Y162 HydrophobicContact CG2-CD1 3.64Å; I157-Y162 HydrophobicContact CG2-CG 4.03Å; D159-Y162 WeakPolarHBondContact O-CB 3.34Å; D159-Y162 PolarHBondContact O-N 3.22Å; D159-Y162 VanDerWaalsContact O-N 3.13Å; Y162-H167 HydrophobicContact CD2-CB 3.99Å; Y162-H167 HydrophobicContact CE2-CB 4.03Å; Y162-G168 WeakPolarHBondContact CE2-O 3.08Å; Y162-G168 PolarHBondContact OH-O 2.78Å; Y162-Q193 PolarHBondContact O-NE2 2.94Å; Y162-F198 HydrophobicContact CE1-CD2 4.34Å
163	S	90.4	Very high	90.8	Very high	37 Å²	37	59.8 Å²	59.8	26%	0.259	31%	0.305	S	S	.	.			trans	-118.2	125.3	160.8	-176.1	0	0	0	0	110.4	G161 R165 C166 H167	G161-S163 PolarHBondContact O-N 3.23Å; S163-R165 PolarHBondContact O-N 2.97Å; S163-C166 PolarHBondContact O-N 3.44Å; S163-H167 PolarHBondContact N-CE1 3.31Å; S163-H167 PolarHBondContact N-ND1 3.03Å; S163-H167 PolarHBondContact O-N 3.23Å; S163-H167 PolarHBondContact O-ND1 2.68Å
164	Y	91	Very high	90.8	Very high	67 Å²	67	63.7 Å²	63.7	26%	0.263	32%	0.323	S	S	.	.	H	α-helix	trans	-56	-37.5	175.1	173.1	-119.8	0	0	0	112	C166 G168 L169 Y191 F198	Y164-C166 PolarHBondContact O-N 3.38Å; Y164-G168 PolarHBondContact O-N 3.2Å; Y164-G168 VanDerWaalsContact O-N 3.08Å; Y164-L169 HydrophobicContact CD2-CD2 4.46Å; Y164-L169 HydrophobicContact CE2-CD2 4.3Å; Y164-L169 HydrophobicContact CE2-CG 4.03Å; Y164-Y191 VanDerWaalsContact OH-CD2 3.27Å; Y164-Y191 WeakPolarHBondContact OH-CD2 3.26Å; Y164-F198 HydrophobicContact CD1-CE2 4.18Å; Y164-F198 AromaticContact CD2-CE2 3.8Å; Y164-F198 HydrophobicContact CD2-CE2 3.8Å; Y164-F198 AromaticContact CD2-CZ 3.94Å; Y164-F198 HydrophobicContact CD2-CZ 3.94Å; Y164-F198 HydrophobicContact CE2-CE2 4.49Å; Y164-F198 HydrophobicContact CE2-CZ 4.25Å; Y164-F198 AromaticContact CG-CE2 3.62Å; Y164-F198 HydrophobicContact CG-CE2 3.62Å; Y164-F198 HydrophobicContact CG-CZ 4.19Å
165	R	90	Very high	90.7	Very high	236 Å²	236	64.6 Å²	64.6	89%	0.891	33%	0.331	S	S	*	.	H	α-helix	trans	-62.9	-28.2	178.7	-65.9	-174.5	-179.9	-179	2	113.2	S163	S163-R165 PolarHBondContact O-N 2.97Å
166	C	91.3	Very high	90.7	Very high	99 Å²	99	65.6 Å²	65.6	67%	0.669	34%	0.338	S	S	*	.	H	α-helix	trans	-100.9	-31.5	-177.2	-56.7	0	0	0	0	112.8	S163 Y164	S163-C166 PolarHBondContact O-N 3.44Å; Y164-C166 PolarHBondContact O-N 3.38Å
167	H	92.3	Very high	90.6	Very high	70 Å²	70	60.2 Å²	60.2	32%	0.324	31%	0.314	S	S	.	.	H	α-helix	trans	-118.6	-9.1	-166.7	-46	100.1	0	0	0	115.1	G118 E119 G161 Y162 S163	G118-H167 WeakPolarHBondContact CA-O 3.37Å; E119-H167 PolarHBondContact N-O 3.15Å; G161-H167 PolarHBondContact O-CE1 2.88Å; G161-H167 VanDerWaalsContact O-CE1 3.25Å; Y162-H167 HydrophobicContact CD2-CB 3.99Å; Y162-H167 HydrophobicContact CE2-CB 4.03Å; S163-H167 PolarHBondContact N-CE1 3.31Å; S163-H167 PolarHBondContact N-ND1 3.03Å; S163-H167 PolarHBondContact O-N 3.23Å; S163-H167 PolarHBondContact O-ND1 2.68Å
168	G	91.6	Very high	90.3	Very high	22 Å²	22	65.6 Å²	65.6	23%	0.227	34%	0.339	C	S	.	.			trans	64.6	-165.5	-177.6	0	0	0	0	0	113.6	Y162 Y164	Y162-G168 WeakPolarHBondContact CE2-O 3.08Å; Y162-G168 PolarHBondContact OH-O 2.78Å; Y164-G168 PolarHBondContact O-N 3.2Å; Y164-G168 VanDerWaalsContact O-N 3.08Å
169	L	91.9	Very high	90.2	Very high	4 Å²	4	69.2 Å²	69.2	2%	0.021	35%	0.351	C	S	.	.	S	Bend	trans	-86.6	-39.1	177.6	-70.3	171.9	0	0	0	112.2	L117 G118 R122 Y164 L173 E174 F177 Y191 F198	L117-L169 HydrophobicContact CD2-CD2 4.4Å; G118-L169 PolarHBondContact N-O 2.91Å; R122-L169 WeakPolarHBondContact CD-O 3.48Å; Y164-L169 HydrophobicContact CD2-CD2 4.46Å; Y164-L169 HydrophobicContact CE2-CD2 4.3Å; Y164-L169 HydrophobicContact CE2-CG 4.03Å; L169-L173 HydrophobicContact CB-CB 4.36Å; L169-L173 HydrophobicContact CB-CD1 4.35Å; L169-E174 HydrophobicContact CB-CG 4.22Å; L169-E174 HydrophobicContact CD1-CG 4.38Å; L169-F177 HydrophobicContact CD1-CD2 4.22Å; L169-F177 HydrophobicContact CD1-CE2 3.78Å; L169-Y191 HydrophobicContact CD1-CD1 4.34Å; L169-Y191 HydrophobicContact CD1-CE1 3.82Å; L169-F198 HydrophobicContact CD2-CD1 4.43Å; L169-F198 HydrophobicContact CD2-CE1 3.38Å; L169-F198 HydrophobicContact CD2-CZ 3.43Å; L169-F198 VanDerWaalsContact CD2-CZ 3.43Å
170	G	92.6	Very high	90.1	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.01	34%	0.342	C	S	.	.			trans	115.2	136.5	-167.4	0	0	0	0	0	111	E119 D172 L173 E174	E119-G170 WeakPolarHBondContact OE2-CA 3.48Å; G170-D172 PolarHBondContact O-N 3.16Å; G170-L173 PolarHBondContact O-N 3.08Å; G170-E174 PolarHBondContact O-N 3.17Å; G170-E174 VanDerWaalsContact O-N 3.08Å
171	Q	92.5	Very high	90.3	Very high	102 Å²	102	57.3 Å²	57.3	48%	0.477	30%	0.298	S	S	.	.	H	α-helix	trans	-59.1	-33	-171.6	-172.9	66	46	0	0	112.3	E119 T175	E119-Q171 VanDerWaalsContact OE2-CB 3.24Å; E119-Q171 WeakPolarHBondContact OE2-CB 3.08Å; E119-Q171 PolarHBondContact OE2-N 2.88Å; Q171-T175 PolarHBondContact NE2-OG1 2.86Å; Q171-T175 WeakPolarHBondContact O-CB 3.36Å; Q171-T175 PolarHBondContact O-N 3.35Å; Q171-T175 PolarHBondContact O-OG1 2.85Å
172	D	94.6	Very high	89.9	Confident	37 Å²	37	59.3 Å²	59.3	20%	0.198	30%	0.299	C	S	.	.	H	α-helix	trans	-68.6	-35.4	178.5	70	-61.2	0	0	0	112.4	R122 N135 G170 S176	R122-D172 WeakPolarHBondContact CD-OD1 3.44Å; R122-D172 IonicContact CZ-OD1 2.56Å; R122-D172 IonicContact CZ-OD2 2.82Å; R122-D172 IonicContact NE-OD1 3.91Å; R122-D172 PolarHBondContact NE-OD1 2.87Å; R122-D172 IonicContact NE-OD2 2.85Å; R122-D172 PolarHBondContact NE-OD2 2.88Å; R122-D172 IonicContact NH2-OD1 2.66Å; R122-D172 IonicContact NH2-OD2 2.64Å; R122-D172 PolarHBondContact NH2-OD2 2.94Å; N135-D172 PolarHBondContact ND2-O 3.24Å; N135-D172 PolarHBondContact ND2-OD2 3.42Å; G170-D172 PolarHBondContact O-N 3.16Å; D172-S176 PolarHBondContact O-N 3.04Å; D172-S176 PolarHBondContact O-OG 2.76Å; D172-S176 VanDerWaalsContact O-OG 3.13Å
173	L	94.1	Very high	88.8	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-73.4	-45.7	175.2	-66.4	175.6	0	0	0	110.8	L117 N135 I138 L169 G170 T175 S176 F177	L117-L173 HydrophobicContact CD2-CD1 3.83Å; N135-L173 HydrophobicContact CB-CD2 3.9Å; I138-L173 HydrophobicContact CB-CD2 4.5Å; I138-L173 HydrophobicContact CD1-CD1 3.96Å; I138-L173 HydrophobicContact CD1-CD2 3.63Å; I138-L173 HydrophobicContact CD1-CG 4.48Å; L169-L173 HydrophobicContact CB-CB 4.36Å; L169-L173 HydrophobicContact CB-CD1 4.35Å; G170-L173 PolarHBondContact O-N 3.08Å; L173-T175 VanDerWaalsContact C-N 3.33Å; L173-T175 PolarHBondContact O-N 3.05Å; L173-S176 WeakPolarHBondContact O-CB 3.22Å; L173-S176 PolarHBondContact O-N 2.97Å; L173-S176 VanDerWaalsContact O-N 3.14Å; L173-F177 WeakPolarHBondContact O-CG 3.42Å; L173-F177 PolarHBondContact O-N 3.47Å
174	E	92.7	Very high	88.1	Confident	82 Å²	82	61.7 Å²	61.7	38%	0.383	32%	0.322	S	S	.	.	H	α-helix	trans	-60.7	-42.5	178.4	-68.9	170.5	-161.3	0	0	111.6	L169 G170 S176 F177 Q178	L169-E174 HydrophobicContact CB-CG 4.22Å; L169-E174 HydrophobicContact CD1-CG 4.38Å; G170-E174 PolarHBondContact O-N 3.17Å; G170-E174 VanDerWaalsContact O-N 3.08Å; E174-S176 VanDerWaalsContact C-N 3.35Å; E174-S176 PolarHBondContact O-N 3.28Å; E174-F177 PolarHBondContact O-N 3.44Å; E174-Q178 PolarHBondContact O-N 3.4Å
175	T	91.9	Very high	87.5	Confident	45 Å²	45	59.8 Å²	59.8	28%	0.276	32%	0.319	S	S	.	.	H	α-helix	trans	-63.7	-39.9	175.2	-57	0	0	0	0	111.6	Q171 L173 Q178 K179	Q171-T175 PolarHBondContact NE2-OG1 2.86Å; Q171-T175 WeakPolarHBondContact O-CB 3.36Å; Q171-T175 PolarHBondContact O-N 3.35Å; Q171-T175 PolarHBondContact O-OG1 2.85Å; L173-T175 VanDerWaalsContact C-N 3.33Å; L173-T175 PolarHBondContact O-N 3.05Å; T175-Q178 PolarHBondContact O-N 2.78Å; T175-K179 WeakPolarHBondContact O-CG 3.25Å; T175-K179 PolarHBondContact O-N 3.1Å; T175-K179 VanDerWaalsContact O-N 3.08Å
176	S	92	Very high	87	Confident	26 Å²	26	54.1 Å²	54.1	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-41.1	175.3	-72.7	0	0	0	0	111.8	N135 D172 L173 E174 K179 L180	N135-S176 PolarHBondContact ND2-OG 2.97Å; N135-S176 WeakPolarHBondContact OD1-CB 3.46Å; N135-S176 PolarHBondContact OD1-OG 3.19Å; D172-S176 PolarHBondContact O-N 3.04Å; D172-S176 PolarHBondContact O-OG 2.76Å; D172-S176 VanDerWaalsContact O-OG 3.13Å; L173-S176 WeakPolarHBondContact O-CB 3.22Å; L173-S176 PolarHBondContact O-N 2.97Å; L173-S176 VanDerWaalsContact O-N 3.14Å; E174-S176 VanDerWaalsContact C-N 3.35Å; E174-S176 PolarHBondContact O-N 3.28Å; S176-K179 PolarHBondContact O-N 3.42Å; S176-L180 WeakPolarHBondContact O-CB 3.35Å; S176-L180 PolarHBondContact O-N 3.35Å
177	F	91	Very high	86.5	Confident	2 Å²	2	54 Å²	54	1%	0.009	29%	0.29	C	S	.	.	H	α-helix	trans	-66	-39.2	175.5	-66.4	-23.5	0	0	0	112.6	I138 V142 L169 L173 E174 K179 L180 L181 L189 Y191 I200	I138-F177 HydrophobicContact CG2-CE1 3.74Å; I138-F177 HydrophobicContact CG2-CZ 3.53Å; V142-F177 HydrophobicContact CG2-CE1 3.86Å; V142-F177 HydrophobicContact CG2-CZ 4.31Å; L169-F177 HydrophobicContact CD1-CD2 4.22Å; L169-F177 HydrophobicContact CD1-CE2 3.78Å; L173-F177 WeakPolarHBondContact O-CG 3.42Å; L173-F177 PolarHBondContact O-N 3.47Å; E174-F177 PolarHBondContact O-N 3.44Å; F177-K179 VanDerWaalsContact C-N 3.3Å; F177-K179 PolarHBondContact O-N 3.45Å; F177-L180 PolarHBondContact O-N 3.35Å; F177-L181 WeakPolarHBondContact O-CA 3.08Å; F177-L181 WeakPolarHBondContact O-CB 3.36Å; F177-L181 PolarHBondContact O-N 3.27Å; F177-L189 HydrophobicContact CB-CD1 4.49Å; F177-L189 HydrophobicContact CD1-CD1 4.19Å; F177-L189 HydrophobicContact CD2-CD1 4.05Å; F177-L189 HydrophobicContact CE1-CD1 4.4Å; F177-L189 HydrophobicContact CE2-CD1 4.24Å; F177-L189 HydrophobicContact CG-CD1 4.01Å; F177-L189 HydrophobicContact CZ-CD1 4.41Å; F177-Y191 HydrophobicContact CE2-CE1 4.23Å; F177-I200 HydrophobicContact CZ-CD1 4.28Å
178	Q	87.3	Confident	86.2	Confident	135 Å²	135	51 Å²	51	63%	0.631	28%	0.277	S	S	*	.	H	α-helix	trans	-64	-36.4	175.5	-170.5	178.6	9.6	0	0	112.1	E174 T175 L181 P182	E174-Q178 PolarHBondContact O-N 3.4Å; T175-Q178 PolarHBondContact O-N 2.78Å; Q178-L181 CarbonylContact O-C 3.2Å; Q178-P182 WeakPolarHBondContact O-CA 3.26Å
179	K	85.2	Confident	86.3	Confident	150 Å²	150	50 Å²	50	65%	0.652	27%	0.266	S	S	*	.	H	α-helix	trans	-68.7	-39.9	174.3	-73.3	174.6	-178.9	177.4	0	112.7	T175 S176 F177	T175-K179 WeakPolarHBondContact O-CG 3.25Å; T175-K179 PolarHBondContact O-N 3.1Å; T175-K179 VanDerWaalsContact O-N 3.08Å; S176-K179 PolarHBondContact O-N 3.42Å; F177-K179 VanDerWaalsContact C-N 3.3Å; F177-K179 PolarHBondContact O-N 3.45Å
180	L	85.2	Confident	86.3	Confident	7 Å²	7	50.7 Å²	50.7	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-72.9	-35.2	178.2	-171.2	69.7	0	0	0	112	V139 V142 C143 L146 S176 F177 P182 C217 L219	V139-L180 HydrophobicContact CG1-CD2 4.37Å; V142-L180 HydrophobicContact CB-CD2 4.18Å; V142-L180 HydrophobicContact CG1-CD2 3.65Å; C143-L180 HydrophobicContact CB-CD1 4.46Å; C143-L180 HydrophobicContact CB-CD2 4.47Å; L146-L180 HydrophobicContact CD1-CD2 4.34Å; S176-L180 WeakPolarHBondContact O-CB 3.35Å; S176-L180 PolarHBondContact O-N 3.35Å; F177-L180 PolarHBondContact O-N 3.35Å; L180-P182 WeakPolarHBondContact O-CD 3.11Å; L180-C217 VanDerWaalsContact CD1-SG 3.51Å; L180-L219 HydrophobicContact CD1-CB 4.43Å; L180-L219 HydrophobicContact CD1-CD1 4.47Å
181	L	84.2	Confident	86.3	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.021	28%	0.276	C	S	.	.			trans	-126.5	73	-174.5	-57.4	174.4	0	0	0	110.8	L146 F177 Q178 S183 G184 H188 L189 W205	L146-L181 HydrophobicContact CD1-CD2 3.86Å; F177-L181 WeakPolarHBondContact O-CA 3.08Å; F177-L181 WeakPolarHBondContact O-CB 3.36Å; F177-L181 PolarHBondContact O-N 3.27Å; Q178-L181 CarbonylContact O-C 3.2Å; L181-S183 PolarHBondContact O-N 3.28Å; L181-G184 PolarHBondContact O-N 2.93Å; L181-H188 HydrophobicContact CD1-CB 4.1Å; L181-L189 HydrophobicContact CD1-CD1 3.76Å; L181-L189 HydrophobicContact CD1-CD2 4.45Å; L181-L189 HydrophobicContact CD1-CG 3.8Å; L181-W205 HydrophobicContact CD2-CE3 4.44Å; L181-W205 HydrophobicContact CD2-CH2 4.49Å; L181-W205 HydrophobicContact CD2-CZ3 3.61Å
182	P	73.6	Confident	86.2	Confident	108 Å²	108	48.9 Å²	48.9	70%	0.701	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.6	-176.1	-25.6	35.4	0	0	0	113.9	Q178 L180 G184	Q178-P182 WeakPolarHBondContact O-CA 3.26Å; L180-P182 WeakPolarHBondContact O-CD 3.11Å; P182-G184 PolarHBondContact O-N 2.97Å; P182-G184 VanDerWaalsContact O-N 3.14Å
183	S	70.4	Confident	86	Confident	65 Å²	65	50 Å²	50	46%	0.455	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	1.2	177.6	-55.8	0	0	0	0	115.4	L181 D208	L181-S183 PolarHBondContact O-N 3.28Å; S183-D208 WeakPolarHBondContact CB-OD2 3.48Å; S183-D208 PolarHBondContact OG-OD2 2.88Å
184	G	75.1	Confident	85.6	Confident	32 Å²	32	52.9 Å²	52.9	33%	0.33	28%	0.278	S	S	.	.			trans	104	126.7	-177.2	0	0	0	0	0	112.6	L181 P182 Q186	L181-G184 PolarHBondContact O-N 2.93Å; P182-G184 PolarHBondContact O-N 2.97Å; P182-G184 VanDerWaalsContact O-N 3.14Å; G184-Q186 VanDerWaalsContact C-N 3.34Å; G184-Q186 PolarHBondContact O-N 2.67Å
185	S	77.8	Confident	85.2	Confident	28 Å²	28	56.1 Å²	56.1	20%	0.196	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-64.3	-34	-177.5	54.5	0	0	0	0	113.5	K187 H188 L189	S185-K187 PolarHBondContact O-N 3.37Å; S185-K187 VanDerWaalsContact O-N 3.11Å; S185-H188 PolarHBondContact O-N 3.03Å; S185-L189 PolarHBondContact O-N 3.19Å
186	Q	80.8	Confident	85	Confident	117 Å²	117	61.1 Å²	61.1	55%	0.547	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-61.2	-23.4	-175.6	-62.5	-64.1	-29.9	0	0	114.3	G184 H188 K583	G184-Q186 VanDerWaalsContact C-N 3.34Å; G184-Q186 PolarHBondContact O-N 2.67Å; Q186-H188 PolarHBondContact O-N 3.45Å; Q186-K583 PolarHBondContact O-NZ 3.38Å
187	K	80.7	Confident	84.9	Confident	96 Å²	96	61.7 Å²	61.7	42%	0.417	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-65	-31.6	174.3	-70	-175.4	177.8	-176.6	0	112.2	S185 K203 D208 K583	S185-K187 PolarHBondContact O-N 3.37Å; S185-K187 VanDerWaalsContact O-N 3.11Å; K187-K203 WeakPolarHBondContact O-CD 3.4Å; K187-D208 IonicContact NZ-OD1 3.05Å; K187-D208 PolarHBondContact NZ-OD1 2.72Å; K187-D208 IonicContact NZ-OD2 3.86Å; K187-D208 PolarHBondContact NZ-OD2 3.21Å; K187-K583 WeakPolarHBondContact O-CE 3.43Å
188	H	86.2	Confident	85.1	Confident	8 Å²	8	61.7 Å²	61.7	4%	0.037	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-23.9	-171.3	-61.7	97.7	0	0	0	113.9	L146 L181 S185 Q186 V202 K203	L146-H188 HydrophobicContact CD2-CB 4.02Å; L181-H188 HydrophobicContact CD1-CB 4.1Å; S185-H188 PolarHBondContact O-N 3.03Å; Q186-H188 PolarHBondContact O-N 3.45Å; H188-V202 WeakPolarHBondContact O-CA 3.36Å; H188-K203 PolarHBondContact O-N 2.95Å
189	L	92.1	Very high	85.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.1	-175.1	-54.3	-177.4	0	0	0	110.6	V142 F177 L181 S185 Y191 I200 F201 V202	V142-L189 HydrophobicContact CG1-CD1 4.4Å; V142-L189 HydrophobicContact CG1-CD2 3.84Å; V142-L189 HydrophobicContact CG2-CD2 4.35Å; F177-L189 HydrophobicContact CB-CD1 4.49Å; F177-L189 HydrophobicContact CD1-CD1 4.19Å; F177-L189 HydrophobicContact CD2-CD1 4.05Å; F177-L189 HydrophobicContact CE1-CD1 4.4Å; F177-L189 HydrophobicContact CE2-CD1 4.24Å; F177-L189 HydrophobicContact CG-CD1 4.01Å; F177-L189 HydrophobicContact CZ-CD1 4.41Å; L181-L189 HydrophobicContact CD1-CD1 3.76Å; L181-L189 HydrophobicContact CD1-CD2 4.45Å; L181-L189 HydrophobicContact CD1-CG 3.8Å; S185-L189 PolarHBondContact O-N 3.19Å; L189-Y191 HydrophobicContact CB-CE1 4.28Å; L189-I200 HydrophobicContact CB-CG2 4.47Å; L189-I200 HydrophobicContact CD2-CG2 4.23Å; L189-F201 VanDerWaalsContact CA-O 3.31Å; L189-F201 WeakPolarHBondContact CA-O 3.43Å; L189-V202 HydrophobicContact CD2-CB 4.35Å; L189-V202 HydrophobicContact CD2-CG1 4.19Å; L189-V202 HydrophobicContact CD2-CG2 3.87Å
190	D	92.6	Very high	85.7	Confident	19 Å²	19	48.4 Å²	48.4	10%	0.102	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.7	165.5	-60.1	-84.1	0	0	0	109.9	I200 F201 K583 P607 Y610	D190-I200 CarbonylContact O-C 3.58Å; D190-I200 WeakPolarHBondContact O-CA 3.5Å; D190-F201 HydrophobicContact CB-CB 4.22Å; D190-F201 PolarHBondContact N-O 3.41Å; D190-F201 PolarHBondContact O-N 3.12Å; D190-K583 IonicContact OD1-NZ 2.85Å; D190-K583 PolarHBondContact OD1-NZ 3.26Å; D190-K583 WeakPolarHBondContact OD2-CD 3.44Å; D190-K583 WeakPolarHBondContact OD2-CE 3.47Å; D190-K583 IonicContact OD2-NZ 3.46Å; D190-K583 PolarHBondContact OD2-NZ 3.46Å; D190-P607 HydrophobicContact CB-CB 3.85Å; D190-P607 HydrophobicContact CB-CG 3.77Å; D190-Y610 WeakPolarHBondContact OD2-CE2 3.33Å
191	Y	92.7	Very high	86.1	Confident	35 Å²	35	48.1 Å²	48.1	14%	0.137	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.8	-172.1	-49.1	-74.5	0	0	0	111.1	Y164 L169 F177 L189 F198 I200	Y164-Y191 VanDerWaalsContact OH-CD2 3.27Å; Y164-Y191 WeakPolarHBondContact OH-CD2 3.26Å; L169-Y191 HydrophobicContact CD1-CD1 4.34Å; L169-Y191 HydrophobicContact CD1-CE1 3.82Å; F177-Y191 HydrophobicContact CE2-CE1 4.23Å; L189-Y191 HydrophobicContact CB-CE1 4.28Å; Y191-F198 HydrophobicContact CD1-CE1 4.2Å; Y191-F198 HydrophobicContact CD1-CZ 4.05Å; Y191-F198 HydrophobicContact CG-CZ 4.29Å; Y191-I200 HydrophobicContact CD1-CG1 4.2Å; Y191-I200 HydrophobicContact CD1-CG2 4.08Å; Y191-I200 HydrophobicContact CE1-CG1 4.5Å; Y191-I200 HydrophobicContact CE1-CG2 3.92Å
192	M	90	Very high	86.5	Confident	30 Å²	30	47.9 Å²	47.9	15%	0.148	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	131.1	175	-167.4	175.5	62.7	0	0	111	Y105 Q194 L199 F201 V605	Y105-M192 WeakPolarHBondContact OH-CE 3.46Å; M192-Q194 HydrophobicContact CE-CG 3.83Å; M192-Q194 HydrophobicContact CG-CG 4.41Å; M192-Q194 HydrophobicContact SD-CG 4.42Å; M192-L199 HydrophobicContact CE-CD1 3.67Å; M192-L199 PolarHBondContact N-O 3.28Å; M192-L199 WeakPolarHBondContact O-CB 3.38Å; M192-L199 PolarHBondContact O-N 3.29Å; M192-F201 HydrophobicContact CB-CE2 4.06Å; M192-F201 HydrophobicContact CE-CE2 3.86Å; M192-F201 HydrophobicContact CE-CZ 3.93Å; M192-V605 WeakPolarHBondContact CE-O 3.4Å; M192-V605 HydrophobicContact SD-CB 4.27Å; M192-V605 HydrophobicContact SD-CG1 3.91Å
193	Q	90.6	Very high	87.1	Confident	61 Å²	61	44 Å²	44	29%	0.285	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.5	171.2	-179	174.4	-0	0	0	109.3	I157 Y162 F198	I157-Q193 HydrophobicContact CD1-CG 3.91Å; Y162-Q193 PolarHBondContact O-NE2 2.94Å; Q193-F198 HydrophobicContact CB-CD2 4.16Å
194	Q	85.4	Confident	87.3	Confident	61 Å²	61	42.1 Å²	42.1	29%	0.285	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	108.3	174.5	-75.2	-177.9	-30	0	0	108.4	Y105 M192 H196 D197	Y105-Q194 PolarHBondContact OH-NE2 3.2Å; Y105-Q194 PolarHBondContact OH-OE1 3.25Å; M192-Q194 HydrophobicContact CE-CG 3.83Å; M192-Q194 HydrophobicContact CG-CG 4.41Å; M192-Q194 HydrophobicContact SD-CG 4.42Å; Q194-H196 PolarHBondContact O-N 3.15Å; Q194-D197 PolarHBondContact N-O 3.35Å; Q194-D197 PolarHBondContact O-N 2.93Å; Q194-D197 VanDerWaalsContact O-O 3.14Å
195	D	83.7	Confident	87.1	Confident	149 Å²	149	43.1 Å²	43.1	80%	0.797	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	-110.7	-176.6	-54.3	-40.4	0	0	0	112.5
196	H	88.4	Confident	86.4	Confident	151 Å²	151	43 Å²	43	70%	0.699	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	2.6	179.7	-59.3	-55.6	0	0	0	114	I157 Q194	I157-H196 PolarHBondContact N-O 2.98Å; Q194-H196 PolarHBondContact O-N 3.15Å
197	D	90.7	Very high	85.2	Confident	37 Å²	37	39.6 Å²	39.6	20%	0.198	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.9	179.7	-68.9	-38.8	0	0	0	110.7	K154 K156 Q194	K154-D197 VanDerWaalsContact CE-OD1 3.31Å; K154-D197 WeakPolarHBondContact CE-OD1 3.47Å; K154-D197 WeakPolarHBondContact CE-OD2 3.36Å; K154-D197 IonicContact NZ-OD1 3.99Å; K154-D197 IonicContact NZ-OD2 3.85Å; K154-D197 PolarHBondContact NZ-OD2 3.17Å; K156-D197 WeakPolarHBondContact CG-OD1 2.87Å; Q194-D197 PolarHBondContact N-O 3.35Å; Q194-D197 PolarHBondContact O-N 2.93Å; Q194-D197 VanDerWaalsContact O-O 3.14Å
198	F	93.7	Very high	83.9	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.9	169.9	-169.5	-102.2	0	0	0	109.3	L117 A155 I157 Y162 Y164 L169 Y191 Q193 I200	L117-F198 HydrophobicContact CD1-CB 3.72Å; L117-F198 HydrophobicContact CD1-CD1 3.75Å; L117-F198 HydrophobicContact CD1-CD2 4.28Å; L117-F198 HydrophobicContact CD1-CE1 4.45Å; L117-F198 HydrophobicContact CD1-CG 3.64Å; A155-F198 PolarHBondContact N-O 3.42Å; A155-F198 PolarHBondContact O-N 3.38Å; I157-F198 HydrophobicContact CD1-CB 4.24Å; I157-F198 HydrophobicContact CG1-CB 3.98Å; Y162-F198 HydrophobicContact CE1-CD2 4.34Å; Y164-F198 HydrophobicContact CD1-CE2 4.18Å; Y164-F198 AromaticContact CD2-CE2 3.8Å; Y164-F198 HydrophobicContact CD2-CE2 3.8Å; Y164-F198 AromaticContact CD2-CZ 3.94Å; Y164-F198 HydrophobicContact CD2-CZ 3.94Å; Y164-F198 HydrophobicContact CE2-CE2 4.49Å; Y164-F198 HydrophobicContact CE2-CZ 4.25Å; Y164-F198 AromaticContact CG-CE2 3.62Å; Y164-F198 HydrophobicContact CG-CE2 3.62Å; Y164-F198 HydrophobicContact CG-CZ 4.19Å; L169-F198 HydrophobicContact CD2-CD1 4.43Å; L169-F198 HydrophobicContact CD2-CE1 3.38Å; L169-F198 HydrophobicContact CD2-CZ 3.43Å; L169-F198 VanDerWaalsContact CD2-CZ 3.43Å; Y191-F198 HydrophobicContact CD1-CE1 4.2Å; Y191-F198 HydrophobicContact CD1-CZ 4.05Å; Y191-F198 HydrophobicContact CG-CZ 4.29Å; Q193-F198 HydrophobicContact CB-CD2 4.16Å; F198-I200 HydrophobicContact CD1-CG1 4.08Å; F198-I200 HydrophobicContact CE1-CD1 4.27Å; F198-I200 HydrophobicContact CE1-CG1 3.78Å
199	L	92.4	Very high	82.1	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.8	-174.9	-57.9	177.8	0	0	0	110.2	M103 Y105 V152 I153 K154 M192 F201	M103-L199 HydrophobicContact CE-CD2 4.4Å; Y105-L199 HydrophobicContact CE2-CD1 4Å; V152-L199 HydrophobicContact CG1-CB 4.19Å; V152-L199 HydrophobicContact CG1-CD2 4.13Å; I153-L199 CarbonylContact O-C 3.52Å; I153-L199 VanDerWaalsContact O-CA 3.3Å; I153-L199 WeakPolarHBondContact O-CA 3.44Å; K154-L199 HydrophobicContact CB-CD2 3.84Å; K154-L199 HydrophobicContact CD-CD2 4.36Å; K154-L199 HydrophobicContact CG-CD2 3.81Å; M192-L199 HydrophobicContact CE-CD1 3.67Å; M192-L199 PolarHBondContact N-O 3.28Å; M192-L199 WeakPolarHBondContact O-CB 3.38Å; M192-L199 PolarHBondContact O-N 3.29Å; L199-F201 HydrophobicContact CB-CD2 4.39Å; L199-F201 HydrophobicContact CB-CE2 3.78Å; L199-F201 HydrophobicContact CD1-CE2 4.3Å; L199-F201 HydrophobicContact CD1-CZ 4.36Å
200	I	94.1	Very high	79.9	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.2	172	-48.4	176.4	0	0	0	107.6	I138 V152 I153 F177 L189 D190 Y191 F198 V202	I138-I200 HydrophobicContact CG2-CD1 4.05Å; V152-I200 CarbonylContact C-O 3.48Å; V152-I200 WeakPolarHBondContact CA-O 3.22Å; I153-I200 HydrophobicContact CB-CB 4.1Å; I153-I200 HydrophobicContact CD1-CB 4.44Å; I153-I200 PolarHBondContact N-O 3.05Å; I153-I200 PolarHBondContact O-N 3.17Å; F177-I200 HydrophobicContact CZ-CD1 4.28Å; L189-I200 HydrophobicContact CB-CG2 4.47Å; L189-I200 HydrophobicContact CD2-CG2 4.23Å; D190-I200 CarbonylContact O-C 3.58Å; D190-I200 WeakPolarHBondContact O-CA 3.5Å; Y191-I200 HydrophobicContact CD1-CG1 4.2Å; Y191-I200 HydrophobicContact CD1-CG2 4.08Å; Y191-I200 HydrophobicContact CE1-CG1 4.5Å; Y191-I200 HydrophobicContact CE1-CG2 3.92Å; F198-I200 HydrophobicContact CD1-CG1 4.08Å; F198-I200 HydrophobicContact CE1-CD1 4.27Å; F198-I200 HydrophobicContact CE1-CG1 3.78Å; I200-V202 HydrophobicContact CG2-CG2 4.49Å
201	F	92.7	Very high	77.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	125.2	175.6	-68.9	-102.1	0	0	0	108.6	Y105 V152 L189 D190 M192 L199 Y606 P607 Y610	Y105-F201 HydrophobicContact CD1-CE1 4.12Å; Y105-F201 HydrophobicContact CD1-CZ 4.37Å; Y105-F201 HydrophobicContact CE1-CE1 4.07Å; Y105-F201 AromaticContact CE1-CZ 3.89Å; Y105-F201 HydrophobicContact CE1-CZ 3.89Å; V152-F201 HydrophobicContact CG1-CE1 4.47Å; V152-F201 HydrophobicContact CG1-CZ 4.43Å; V152-F201 HydrophobicContact CG2-CD1 3.54Å; V152-F201 HydrophobicContact CG2-CE1 3.59Å; V152-F201 HydrophobicContact CG2-CG 4.24Å; V152-F201 HydrophobicContact CG2-CZ 4.31Å; L189-F201 VanDerWaalsContact CA-O 3.31Å; L189-F201 WeakPolarHBondContact CA-O 3.43Å; D190-F201 HydrophobicContact CB-CB 4.22Å; D190-F201 PolarHBondContact N-O 3.41Å; D190-F201 PolarHBondContact O-N 3.12Å; M192-F201 HydrophobicContact CB-CE2 4.06Å; M192-F201 HydrophobicContact CE-CE2 3.86Å; M192-F201 HydrophobicContact CE-CZ 3.93Å; L199-F201 HydrophobicContact CB-CD2 4.39Å; L199-F201 HydrophobicContact CB-CE2 3.78Å; L199-F201 HydrophobicContact CD1-CE2 4.3Å; L199-F201 HydrophobicContact CD1-CZ 4.36Å; F201-Y606 AromaticContact CD1-CD1 3.89Å; F201-Y606 HydrophobicContact CD1-CD1 3.89Å; F201-Y606 HydrophobicContact CD1-CE1 4.16Å; F201-Y606 AromaticContact CE1-CD1 3.51Å; F201-Y606 HydrophobicContact CE1-CD1 3.51Å; F201-Y606 AromaticContact CE1-CE1 3.78Å; F201-Y606 HydrophobicContact CE1-CE1 3.78Å; F201-Y606 HydrophobicContact CE1-CG 4.32Å; F201-P607 HydrophobicContact CB-CG 4.17Å; F201-P607 HydrophobicContact CD1-CG 4.15Å; F201-P607 HydrophobicContact CD2-CG 3.42Å; F201-P607 VanDerWaalsContact CD2-CG 3.42Å; F201-P607 HydrophobicContact CE1-CG 4.45Å; F201-P607 HydrophobicContact CE2-CG 3.8Å; F201-P607 HydrophobicContact CG-CG 3.64Å; F201-P607 HydrophobicContact CZ-CG 4.3Å; F201-Y610 HydrophobicContact CB-CE2 4.05Å
202	V	92	Very high	75.9	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112.5	-178.8	-173.8	0	0	0	0	107.8	L145 L146 G150 G151 I153 H188 L189 I200	L145-V202 HydrophobicContact CB-CB 3.93Å; L145-V202 HydrophobicContact CB-CG1 3.83Å; L145-V202 HydrophobicContact CB-CG2 4.17Å; L145-V202 HydrophobicContact CD1-CB 4.17Å; L145-V202 HydrophobicContact CD1-CG2 3.81Å; L146-V202 HydrophobicContact CD2-CG1 3.6Å; L146-V202 HydrophobicContact CG-CG1 3.7Å; G150-V202 CarbonylContact C-O 3.36Å; G150-V202 WeakPolarHBondContact CA-O 3.35Å; G151-V202 PolarHBondContact N-O 3.5Å; G151-V202 PolarHBondContact O-N 3.37Å; I153-V202 HydrophobicContact CD1-CG2 4.14Å; I153-V202 HydrophobicContact CG1-CG2 4.28Å; H188-V202 WeakPolarHBondContact O-CA 3.36Å; L189-V202 HydrophobicContact CD2-CB 4.35Å; L189-V202 HydrophobicContact CD2-CG1 4.19Å; L189-V202 HydrophobicContact CD2-CG2 3.87Å; I200-V202 HydrophobicContact CG2-CG2 4.49Å
203	K	87.3	Confident	74.3	Confident	27 Å²	27	51.5 Å²	51.5	12%	0.117	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	144.2	167.4	-172.2	-162	175.2	-161.2	0	108.8	L146 K187 H188 S206 R581 K583	L146-K203 VanDerWaalsContact CD2-O 3.28Å; L146-K203 WeakPolarHBondContact CD2-O 3.44Å; K187-K203 WeakPolarHBondContact O-CD 3.4Å; H188-K203 PolarHBondContact O-N 2.95Å; K203-S206 PolarHBondContact NZ-OG 3.47Å; K203-S206 VanDerWaalsContact NZ-OG 3.12Å; K203-R581 WeakPolarHBondContact CE-O 3.49Å; K203-R581 PolarHBondContact NZ-O 3.43Å; K203-K583 HydrophobicContact CB-CG 4.39Å; K203-K583 HydrophobicContact CD-CG 3.85Å; K203-K583 HydrophobicContact CG-CG 4.05Å
204	S	74.3	Confident	73.1	Confident	25 Å²	25	50 Å²	50	18%	0.175	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-50.4	147.4	170.7	-173.2	0	0	0	0	111.3	G149 S206	G149-S204 WeakPolarHBondContact CA-OG 3.35Å; S204-S206 PolarHBondContact O-N 3.42Å
205	W	70.7	Confident	72.4	Confident	53 Å²	53	52.9 Å²	52.9	20%	0.201	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-57.9	126.5	172.8	-173.8	-102	0	0	0	110.7	L146 L181 L214 C217	L146-W205 HydrophobicContact CB-CB 4.31Å; L146-W205 HydrophobicContact CB-CE3 4.35Å; L146-W205 HydrophobicContact CD1-CE3 4.2Å; L146-W205 HydrophobicContact CD1-CZ3 4.43Å; L146-W205 HydrophobicContact CD2-CE3 4.17Å; L146-W205 HydrophobicContact CG-CE3 4.48Å; L146-W205 VanDerWaalsContact O-CB 3.24Å; L146-W205 WeakPolarHBondContact O-CB 3.5Å; L146-W205 PolarHBondContact O-N 3.24Å; L146-W205 VanDerWaalsContact O-N 3.12Å; L181-W205 HydrophobicContact CD2-CE3 4.44Å; L181-W205 HydrophobicContact CD2-CH2 4.49Å; L181-W205 HydrophobicContact CD2-CZ3 3.61Å; W205-L214 PolarHBondContact NE1-O 2.92Å; W205-C217 HydrophobicContact CD2-CB 4.09Å; W205-C217 HydrophobicContact CE3-CB 3.67Å; W205-C217 HydrophobicContact CH2-CB 4.37Å; W205-C217 HydrophobicContact CZ3-CB 3.81Å
206	S	64.1	Low	72.3	Confident	25 Å²	25	45.9 Å²	45.9	18%	0.175	27%	0.267	C	S	.	.			trans	-135.2	119.6	173.5	59.9	0	0	0	0	108.2	K203 S204	K203-S206 PolarHBondContact NZ-OG 3.47Å; K203-S206 VanDerWaalsContact NZ-OG 3.12Å; S204-S206 PolarHBondContact O-N 3.42Å
207	P	55.6	Low	72.3	Confident	45 Å²	45	38.8 Å²	38.8	29%	0.292	23%	0.234	S	C	.	.			trans	-61.4	143.8	179.7	20.1	-28.3	0	0	0	111.5	P213	P207-P213 VanDerWaalsContact CB-CA 3.45Å; P207-P213 HydrophobicContact CB-CB 3.68Å; P207-P213 HydrophobicContact CG-CB 3.68Å
208	D	52.8	Low	72.2	Confident	34 Å²	34	38.2 Å²	38.2	18%	0.182	23%	0.233	C	C	.	.			trans	-70	144.6	169.6	-83.5	-32.3	0	0	0	110.2	S183 K187 S210 S211	S183-D208 WeakPolarHBondContact CB-OD2 3.48Å; S183-D208 PolarHBondContact OG-OD2 2.88Å; K187-D208 IonicContact NZ-OD1 3.05Å; K187-D208 PolarHBondContact NZ-OD1 2.72Å; K187-D208 IonicContact NZ-OD2 3.86Å; K187-D208 PolarHBondContact NZ-OD2 3.21Å; D208-S210 PolarHBondContact O-N 3.45Å; D208-S210 VanDerWaalsContact O-N 3.15Å; D208-S211 PolarHBondContact O-N 3.37Å
209	A	48.3	Very low	72	Confident	104 Å²	104	41.5 Å²	41.5	86%	0.86	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.9	-179.8	0	0	0	0	0	113.9
210	S	45.3	Very low	72	Confident	116 Å²	116	46.4 Å²	46.4	81%	0.811	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.7	-172.9	57.3	0	0	0	0	115	D208	D208-S210 PolarHBondContact O-N 3.45Å; D208-S210 VanDerWaalsContact O-N 3.15Å
211	S	50.2	Low	71.9	Confident	62 Å²	62	46.4 Å²	46.4	43%	0.434	27%	0.269	S	S	.	.	S	Bend	trans	-128.6	157.9	-179.6	57.7	0	0	0	0	110.9	D208 P213	D208-S211 PolarHBondContact O-N 3.37Å; S211-P213 VanDerWaalsContact O-N 3.12Å
212	L	51.7	Low	72.1	Confident	60 Å²	60	46.7 Å²	46.7	31%	0.314	27%	0.271	S	S	.	.			trans	-40.6	122.5	166.3	-90.9	154.4	0	0	0	109.1	L214 L240 E241	L212-L214 PolarHBondContact O-N 3.22Å; L212-L240 HydrophobicContact CD2-CD2 4.29Å; L212-E241 HydrophobicContact CD1-CG 4.45Å
213	P	56.1	Low	72.4	Confident	63 Å²	63	46.7 Å²	46.7	41%	0.409	27%	0.271	S	S	.	.			trans	-73.7	81.8	-169.1	25.9	-32.4	0	0	0	110.5	P207 S211 K215 I442	P207-P213 VanDerWaalsContact CB-CA 3.45Å; P207-P213 HydrophobicContact CB-CB 3.68Å; P207-P213 HydrophobicContact CG-CB 3.68Å; S211-P213 VanDerWaalsContact O-N 3.12Å; P213-K215 PolarHBondContact O-N 3.35Å; P213-I442 HydrophobicContact CG-CG2 3.99Å; P213-I442 WeakPolarHBondContact O-CD1 3.48Å; P213-I442 VanDerWaalsContact O-CG1 3.31Å; P213-I442 WeakPolarHBondContact O-CG1 3.42Å; P213-I442 WeakPolarHBondContact O-CG2 3.23Å
214	L	66.5	Low	72.9	Confident	28 Å²	28	46.2 Å²	46.2	15%	0.147	27%	0.268	C	S	.	.			trans	-59.4	130.8	173.2	-66.3	169.9	0	0	0	108.8	W205 L212 A236 L240 M439 I442	W205-L214 PolarHBondContact NE1-O 2.92Å; L212-L214 PolarHBondContact O-N 3.22Å; L214-A236 HydrophobicContact CD1-CB 3.45Å; L214-A236 VanDerWaalsContact CD1-CB 3.45Å; L214-A236 HydrophobicContact CD2-CB 3.93Å; L214-A236 HydrophobicContact CG-CB 4.33Å; L214-L240 HydrophobicContact CD2-CD2 4.23Å; L214-M439 HydrophobicContact CD2-CE 3.89Å; L214-M439 HydrophobicContact CD2-SD 4.11Å; L214-I442 HydrophobicContact CD2-CD1 4.34Å
215	K	69.4	Low	73.9	Confident	122 Å²	122	47.4 Å²	47.4	53%	0.53	27%	0.271	S	S	.	.			trans	-94	-4	176.1	-84.8	-178.6	176.6	-179.4	0	113.6	P213 A441 I442	P213-K215 PolarHBondContact O-N 3.35Å; K215-A441 HydrophobicContact CD-CB 4.36Å; K215-A441 PolarHBondContact NZ-O 3.44Å; K215-I442 HydrophobicContact CB-CD1 4.44Å; K215-I442 HydrophobicContact CB-CG1 3.98Å; K215-I442 HydrophobicContact CD-CG1 4.02Å; K215-I442 HydrophobicContact CG-CG1 3.86Å
216	I	82.5	Confident	75	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	26%	0.264	C	S	.	.			trans	-134.6	136.8	-173.8	-170.8	166.7	0	0	0	110.6	L430 W435 M438 M439	I216-L430 HydrophobicContact CD1-CD1 3.51Å; I216-L430 HydrophobicContact CG1-CD1 4.5Å; I216-W435 HydrophobicContact CD1-CG 4.09Å; I216-M438 HydrophobicContact CD1-CB 3.98Å; I216-M438 HydrophobicContact CD1-SD 3.92Å; I216-M439 HydrophobicContact CG2-CG 3.77Å; I216-M439 HydrophobicContact CG2-SD 3.18Å; I216-M439 WeakPolarHBondContact CG2-SD 3.46Å
217	C	87.4	Confident	76.1	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.014	28%	0.28	C	S	.	.			trans	-88.3	134.4	168.4	-176.4	0	0	0	0	109	C143 L146 N147 L180 W205 S419	C143-C217 PolarHBondContact SG-O 2.91Å; C143-C217 VanDerWaalsContact SG-O 3.41Å; L146-C217 HydrophobicContact CB-CB 3.98Å; L146-C217 HydrophobicContact CD1-CB 4.04Å; L146-C217 VanDerWaalsContact CD1-SG 3.55Å; N147-C217 PolarHBondContact ND2-O 3.41Å; N147-C217 WeakPolarHBondContact OD1-CB 3.47Å; N147-C217 PolarHBondContact OD1-N 3.14Å; L180-C217 VanDerWaalsContact CD1-SG 3.51Å; W205-C217 HydrophobicContact CD2-CB 4.09Å; W205-C217 HydrophobicContact CE3-CB 3.67Å; W205-C217 HydrophobicContact CH2-CB 4.37Å; W205-C217 HydrophobicContact CZ3-CB 3.81Å; C217-S419 PolarHBondContact O-OG 2.85Å
218	S	89.6	Confident	77.6	Confident	25 Å²	25	50.2 Å²	50.2	18%	0.175	29%	0.287	C	S	.	.			trans	-151.4	141.4	178.4	-60.4	0	0	0	0	109.9	S419 W435	S218-S419 VanDerWaalsContact OG-CB 3.24Å; S218-S419 WeakPolarHBondContact OG-CB 3.25Å; S218-S419 PolarHBondContact OG-OG 3.24Å; S218-S419 VanDerWaalsContact OG-OG 3.05Å; S218-W435 PolarHBondContact OG-NE1 3.37Å
219	L	88.8	Confident	79.3	Confident	71 Å²	71	51.9 Å²	51.9	37%	0.372	30%	0.298	S	S	.	.	S	Bend	trans	-77.7	-39.5	176.9	-175.3	66.7	0	0	0	111.2	L180 D418 W420	L180-L219 HydrophobicContact CD1-CB 4.43Å; L180-L219 HydrophobicContact CD1-CD1 4.47Å; L219-D418 HydrophobicContact CB-CB 4Å; L219-D418 WeakPolarHBondContact CB-O 3.26Å; L219-D418 PolarHBondContact N-O 2.88Å; L219-W420 HydrophobicContact CB-CZ3 4.34Å
220	R	91.8	Very high	81.3	Confident	105 Å²	105	49.1 Å²	49.1	40%	0.396	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-147.7	137.7	176.1	-61.8	-177.2	175.3	168.5	-5	109.8	N222 D418	R220-N222 VanDerWaalsContact C-N 3.29Å; R220-D418 HydrophobicContact CB-CB 3.96Å; R220-D418 WeakPolarHBondContact CD-OD2 3.27Å; R220-D418 PolarHBondContact O-N 3.43Å
221	S	93.3	Very high	83.6	Confident	5 Å²	5	45.1 Å²	45.1	4%	0.035	25%	0.247	C	C	.	.			trans	-72.5	-28.9	173.9	65	0	0	0	0	111.6	I223 N233 L234 F413	S221-I223 PolarHBondContact O-N 3.33Å; S221-I223 PolarHBondContact OG-N 2.97Å; S221-I223 VanDerWaalsContact OG-N 3.16Å; S221-I223 PolarHBondContact OG-O 2.92Å; S221-N233 PolarHBondContact N-OD1 2.83Å; S221-N233 PolarHBondContact OG-OD1 2.91Å; S221-N233 VanDerWaalsContact OG-OD1 3.08Å; S221-L234 WeakPolarHBondContact CB-O 2.89Å; S221-L234 PolarHBondContact OG-O 3.38Å; S221-F413 WeakPolarHBondContact O-CD1 3.36Å
222	N	96.9	Very high	85.8	Confident	7 Å²	7	45.6 Å²	45.6	4%	0.037	24%	0.244	C	C	.	.			trans	58.3	19.4	-168.9	-65.7	-28.2	0	0	0	113.2	R220 N233 F413 A414 E415 D416 D418	R220-N222 VanDerWaalsContact C-N 3.29Å; N222-N233 PolarHBondContact N-OD1 3.49Å; N222-N233 PolarHBondContact OD1-ND2 2.79Å; N222-F413 WeakPolarHBondContact O-CA 3.49Å; N222-A414 PolarHBondContact O-N 3.49Å; N222-E415 WeakPolarHBondContact CB-O 3.29Å; N222-D416 PolarHBondContact ND2-O 3.11Å; N222-D418 PolarHBondContact ND2-OD1 2.95Å
223	I	97.8	Very high	87.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-96.4	123.3	165.8	-58.5	172	0	0	0	106.4	S221 L234 A239 L242 N328 V411 F413 W435	S221-I223 PolarHBondContact O-N 3.33Å; S221-I223 PolarHBondContact OG-N 2.97Å; S221-I223 VanDerWaalsContact OG-N 3.16Å; S221-I223 PolarHBondContact OG-O 2.92Å; I223-L234 HydrophobicContact CG2-CD1 3.86Å; I223-L234 HydrophobicContact CG2-CG 4.44Å; I223-L234 PolarHBondContact O-N 2.96Å; I223-A239 HydrophobicContact CD1-CB 4.12Å; I223-L242 HydrophobicContact CG2-CD2 3.77Å; I223-N328 WeakPolarHBondContact CG2-ND2 3.04Å; I223-V411 HydrophobicContact CD1-CG1 3.99Å; I223-V411 HydrophobicContact CG1-CG1 4.11Å; I223-V411 HydrophobicContact CG2-CG1 4.07Å; I223-F413 HydrophobicContact CD1-CD1 4.28Å; I223-F413 HydrophobicContact CD1-CE1 3.51Å; I223-F413 HydrophobicContact CD1-CE2 4.4Å; I223-F413 HydrophobicContact CD1-CZ 3.57Å; I223-F413 HydrophobicContact CG1-CD1 3.51Å; I223-F413 HydrophobicContact CG1-CE1 3.25Å; I223-F413 HydrophobicContact CG1-CE2 4.32Å; I223-F413 HydrophobicContact CG1-CG 4.15Å; I223-F413 HydrophobicContact CG1-CZ 3.7Å; I223-W435 HydrophobicContact CD1-CH2 4.23Å; I223-W435 HydrophobicContact CD1-CZ3 3.76Å
224	Y	98	Very high	89.7	Confident	16 Å²	16	42.3 Å²	42.3	6%	0.063	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	150.1	177.3	-67.4	-102.7	0	0	0	110.8	A231 I232 N233 H321 S324 A325 N328 A414	Y224-A231 HydrophobicContact CD1-CB 4.36Å; Y224-I232 WeakPolarHBondContact CA-O 3.06Å; Y224-N233 HydrophobicContact CD1-CB 4.04Å; Y224-N233 HydrophobicContact CE1-CB 3.54Å; Y224-N233 HydrophobicContact CE2-CB 4.43Å; Y224-N233 VanDerWaalsContact CZ-ND2 3.29Å; Y224-N233 PolarHBondContact OH-ND2 2.91Å; Y224-H321 HydrophobicContact CD1-CB 4.35Å; Y224-H321 HydrophobicContact CD2-CB 4.49Å; Y224-H321 HydrophobicContact CE1-CB 4.21Å; Y224-H321 HydrophobicContact CE2-CB 4.35Å; Y224-H321 AromaticContact CE2-CD2 3.65Å; Y224-H321 HydrophobicContact CG-CB 4.5Å; Y224-H321 AromaticContact CZ-CD2 3.64Å; Y224-H321 AromaticContact CZ-CG 3.78Å; Y224-H321 AromaticContact CZ-NE2 3.99Å; Y224-H321 PolarHBondContact OH-NE2 3.24Å; Y224-S324 PolarHBondContact N-OG 2.95Å; Y224-S324 VanDerWaalsContact N-OG 3.11Å; Y224-A325 WeakPolarHBondContact O-CA 3.44Å; Y224-N328 VanDerWaalsContact O-CB 3.29Å; Y224-N328 WeakPolarHBondContact O-CB 3.4Å; Y224-N328 PolarHBondContact O-ND2 3.21Å; Y224-A414 HydrophobicContact CD2-CB 3.89Å; Y224-A414 HydrophobicContact CE2-CB 3.73Å
225	Q	96.1	Very high	90.7	Very high	51 Å²	51	44.3 Å²	44.3	24%	0.238	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	156.8	162.9	-80.1	-177.3	-51.2	0	0	110	I232 L234 L242 N328	Q225-I232 PolarHBondContact N-O 3.1Å; Q225-I232 VanDerWaalsContact N-O 3.11Å; Q225-I232 PolarHBondContact O-N 2.92Å; Q225-L234 HydrophobicContact CB-CD2 4.18Å; Q225-L234 HydrophobicContact CG-CD1 4.06Å; Q225-L234 HydrophobicContact CG-CD2 4.41Å; Q225-L234 HydrophobicContact CG-CG 4.48Å; Q225-L242 HydrophobicContact CG-CD2 4.2Å; Q225-N328 HydrophobicContact CG-CB 3.95Å; Q225-N328 PolarHBondContact NE2-O 3.34Å
226	R	93.5	Very high	91.4	Very high	13 Å²	13	39.7 Å²	39.7	5%	0.049	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133.6	173.3	-72.5	-66.7	-65.5	175.6	-19.5	109.4	V228 T229 S230 S298 T299 V301 E302 A325 F326 T329	R226-V228 PolarHBondContact NH2-O 3.26Å; R226-T229 VanDerWaalsContact NH1-C 3.3Å; R226-T229 PolarHBondContact NH1-O 3.03Å; R226-S230 VanDerWaalsContact NH1-C 3.27Å; R226-S230 PolarHBondContact NH1-O 2.67Å; R226-S230 VanDerWaalsContact NH1-O 3.14Å; R226-S298 PolarHBondContact NH2-O 2.72Å; R226-T299 HydrophobicContact CB-CG2 3.83Å; R226-T299 WeakPolarHBondContact CB-O 3.29Å; R226-T299 WeakPolarHBondContact CG-O 3.38Å; R226-T299 PolarHBondContact NE-O 3.11Å; R226-V301 PolarHBondContact NH2-O 3.05Å; R226-E302 IonicContact CZ-OE2 2.62Å; R226-E302 VanDerWaalsContact CZ-OE2 3.3Å; R226-E302 IonicContact NH1-OE2 2.77Å; R226-E302 PolarHBondContact NH1-OE2 3.31Å; R226-E302 IonicContact NH2-OE2 3.53Å; R226-E302 PolarHBondContact NH2-OE2 2.86Å; R226-A325 HydrophobicContact CG-CB 3.84Å; R226-F326 HydrophobicContact CG-CD1 3.58Å; R226-F326 HydrophobicContact CG-CE1 3.72Å; R226-F326 HydrophobicContact CG-CG 4.22Å; R226-F326 HydrophobicContact CG-CZ 4.43Å; R226-T329 HydrophobicContact CB-CG2 4.22Å; R226-T329 PolarHBondContact N-OG1 3.15Å
227	D	87.2	Confident	91.6	Very high	94 Å²	94	41.7 Å²	41.7	50%	0.503	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	103.4	168	-177	12.3	0	0	0	107.5	T229 S230 I232	D227-T229 PolarHBondContact O-N 3.28Å; D227-S230 PolarHBondContact N-O 2.88Å; D227-S230 VanDerWaalsContact N-O 3.12Å; D227-S230 PolarHBondContact O-N 3.23Å; D227-S230 PolarHBondContact O-OG 3.25Å; D227-I232 HydrophobicContact CB-CD1 3.54Å; D227-I232 HydrophobicContact CB-CG1 4.25Å
228	V	87.2	Confident	91.7	Very high	75 Å²	75	43.6 Å²	43.6	46%	0.455	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	-118.7	-170.9	-166.8	0	0	0	0	109.5	R226 S230 S298 T299	R226-V228 PolarHBondContact NH2-O 3.26Å; V228-S230 VanDerWaalsContact C-N 3.34Å; V228-S230 PolarHBondContact O-N 2.97Å; V228-S298 CarbonylContact O-C 3.59Å; V228-T299 VanDerWaalsContact O-CA 3.26Å; V228-T299 WeakPolarHBondContact O-CA 3.46Å; V228-T299 PolarHBondContact O-N 3.43Å
229	T	87.6	Confident	91.9	Very high	68 Å²	68	42.4 Å²	42.4	42%	0.417	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-3.9	-178.7	58.6	0	0	0	0	113.7	R226 D227 E297	R226-T229 VanDerWaalsContact NH1-C 3.3Å; R226-T229 PolarHBondContact NH1-O 3.03Å; D227-T229 PolarHBondContact O-N 3.28Å; T229-E297 HydrophobicContact CG2-CB 3.56Å
230	S	91	Very high	91.9	Very high	47 Å²	47	39 Å²	39	33%	0.329	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	147.7	-173.6	75.3	0	0	0	0	112.7	R226 D227 V228 I232	R226-S230 VanDerWaalsContact NH1-C 3.27Å; R226-S230 PolarHBondContact NH1-O 2.67Å; R226-S230 VanDerWaalsContact NH1-O 3.14Å; D227-S230 PolarHBondContact N-O 2.88Å; D227-S230 VanDerWaalsContact N-O 3.12Å; D227-S230 PolarHBondContact O-N 3.23Å; D227-S230 PolarHBondContact O-OG 3.25Å; V228-S230 VanDerWaalsContact C-N 3.34Å; V228-S230 PolarHBondContact O-N 2.97Å; S230-I232 VanDerWaalsContact OG-CG1 3.27Å; S230-I232 WeakPolarHBondContact OG-CG1 3.28Å
231	A	93.9	Very high	91.9	Very high	31 Å²	31	39.1 Å²	39.1	26%	0.256	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	101.1	168	0	0	0	0	0	107.6	Y224 Y322 A325	Y224-A231 HydrophobicContact CD1-CB 4.36Å; A231-Y322 HydrophobicContact CB-CD1 4.1Å; A231-Y322 HydrophobicContact CB-CE1 4.08Å; A231-A325 HydrophobicContact CB-CB 3.94Å
232	I	95	Very high	91.9	Very high	72 Å²	72	39.1 Å²	39.1	37%	0.369	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.7	-171	-56.5	-177.5	0	0	0	109.2	Y224 Q225 D227 S230 L234	Y224-I232 WeakPolarHBondContact CA-O 3.06Å; Q225-I232 PolarHBondContact N-O 3.1Å; Q225-I232 VanDerWaalsContact N-O 3.11Å; Q225-I232 PolarHBondContact O-N 2.92Å; D227-I232 HydrophobicContact CB-CD1 3.54Å; D227-I232 HydrophobicContact CB-CG1 4.25Å; S230-I232 VanDerWaalsContact OG-CG1 3.27Å; S230-I232 WeakPolarHBondContact OG-CG1 3.28Å; I232-L234 PolarHBondContact O-N 3.41Å
233	N	95.2	Very high	91.8	Very high	40 Å²	40	38.8 Å²	38.8	21%	0.214	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	116.4	168.5	-167.1	-51.5	0	0	0	107.8	S221 N222 Y224 C235	S221-N233 PolarHBondContact N-OD1 2.83Å; S221-N233 PolarHBondContact OG-OD1 2.91Å; S221-N233 VanDerWaalsContact OG-OD1 3.08Å; N222-N233 PolarHBondContact N-OD1 3.49Å; N222-N233 PolarHBondContact OD1-ND2 2.79Å; Y224-N233 HydrophobicContact CD1-CB 4.04Å; Y224-N233 HydrophobicContact CE1-CB 3.54Å; Y224-N233 HydrophobicContact CE2-CB 4.43Å; Y224-N233 VanDerWaalsContact CZ-ND2 3.29Å; Y224-N233 PolarHBondContact OH-ND2 2.91Å; N233-C235 PolarHBondContact O-N 2.96Å
234	L	94.1	Very high	91.4	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.073	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-65.4	132.1	-175	-64.6	-174.7	0	0	0	110.4	S221 I223 Q225 I232 A239 L242	S221-L234 WeakPolarHBondContact CB-O 2.89Å; S221-L234 PolarHBondContact OG-O 3.38Å; I223-L234 HydrophobicContact CG2-CD1 3.86Å; I223-L234 HydrophobicContact CG2-CG 4.44Å; I223-L234 PolarHBondContact O-N 2.96Å; Q225-L234 HydrophobicContact CB-CD2 4.18Å; Q225-L234 HydrophobicContact CG-CD1 4.06Å; Q225-L234 HydrophobicContact CG-CD2 4.41Å; Q225-L234 HydrophobicContact CG-CG 4.48Å; I232-L234 PolarHBondContact O-N 3.41Å; L234-A239 HydrophobicContact CB-CB 4.07Å; L234-L242 HydrophobicContact CD1-CB 4.24Å; L234-L242 HydrophobicContact CD1-CD2 3.72Å
235	C	88.9	Confident	91.1	Very high	70 Å²	70	44 Å²	44	47%	0.473	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-63	162.9	166.1	75	0	0	0	0	110	N233 S237 S238 A239	N233-C235 PolarHBondContact O-N 2.96Å; C235-S237 VanDerWaalsContact C-N 3.29Å; C235-S237 PolarHBondContact O-N 3.49Å; C235-S237 PolarHBondContact SG-OG 3.43Å; C235-S238 PolarHBondContact O-N 3.37Å; C235-S238 PolarHBondContact SG-OG 2.86Å; C235-A239 VanDerWaalsContact O-CB 3.31Å; C235-A239 WeakPolarHBondContact O-CB 3.08Å; C235-A239 PolarHBondContact O-N 2.99Å
236	A	84.6	Confident	90.9	Very high	26 Å²	26	42 Å²	42	22%	0.215	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-37.2	-174.4	0	0	0	0	0	113.4	L214 L240 M439	L214-A236 HydrophobicContact CD1-CB 3.45Å; L214-A236 VanDerWaalsContact CD1-CB 3.45Å; L214-A236 HydrophobicContact CD2-CB 3.93Å; L214-A236 HydrophobicContact CG-CB 4.33Å; A236-L240 PolarHBondContact O-N 3.3Å; A236-M439 WeakPolarHBondContact O-CE 3.05Å
237	S	85.5	Confident	90.7	Very high	44 Å²	44	44.5 Å²	44.5	31%	0.308	25%	0.253	S	S	.	.	H	α-helix	trans	-67.1	-49.5	177.1	49.7	0	0	0	0	112.2	C235 A239 L240 E241	C235-S237 VanDerWaalsContact C-N 3.29Å; C235-S237 PolarHBondContact O-N 3.49Å; C235-S237 PolarHBondContact SG-OG 3.43Å; S237-A239 VanDerWaalsContact C-N 3.27Å; S237-A239 PolarHBondContact O-N 2.77Å; S237-L240 WeakPolarHBondContact O-CB 3.45Å; S237-L240 PolarHBondContact O-N 3.29Å; S237-L240 VanDerWaalsContact O-N 3.11Å; S237-E241 WeakPolarHBondContact O-CG 3.37Å; S237-E241 PolarHBondContact O-N 2.92Å
238	S	90.4	Very high	90.6	Very high	41 Å²	41	41.4 Å²	41.4	29%	0.287	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-34.7	176.9	-52.8	0	0	0	0	112.2	C235 E241 L242	C235-S238 PolarHBondContact O-N 3.37Å; C235-S238 PolarHBondContact SG-OG 2.86Å; S238-E241 PolarHBondContact O-N 3.1Å; S238-L242 PolarHBondContact O-N 3.49Å
239	A	92.3	Very high	90.5	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-40.3	173.6	0	0	0	0	0	111.9	I223 L234 C235 S237 L242 L243 W435 M439	I223-A239 HydrophobicContact CD1-CB 4.12Å; L234-A239 HydrophobicContact CB-CB 4.07Å; C235-A239 VanDerWaalsContact O-CB 3.31Å; C235-A239 WeakPolarHBondContact O-CB 3.08Å; C235-A239 PolarHBondContact O-N 2.99Å; S237-A239 VanDerWaalsContact C-N 3.27Å; S237-A239 PolarHBondContact O-N 2.77Å; A239-L242 PolarHBondContact O-N 3.43Å; A239-L243 VanDerWaalsContact O-CG 3.25Å; A239-L243 WeakPolarHBondContact O-CG 3.45Å; A239-L243 PolarHBondContact O-N 3.36Å; A239-W435 HydrophobicContact CB-CH2 3.91Å; A239-M439 HydrophobicContact CB-CE 4.5Å
240	L	90.2	Very high	90.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-43.4	174.6	-175.7	59.5	0	0	0	111.7	L212 L214 A236 S237 L243 R244 M439 L440 I442	L212-L240 HydrophobicContact CD2-CD2 4.29Å; L214-L240 HydrophobicContact CD2-CD2 4.23Å; A236-L240 PolarHBondContact O-N 3.3Å; S237-L240 WeakPolarHBondContact O-CB 3.45Å; S237-L240 PolarHBondContact O-N 3.29Å; S237-L240 VanDerWaalsContact O-N 3.11Å; L240-L243 PolarHBondContact O-N 2.81Å; L240-R244 HydrophobicContact CD1-CG 4.44Å; L240-R244 WeakPolarHBondContact O-CB 3.33Å; L240-R244 WeakPolarHBondContact O-CG 3.45Å; L240-R244 PolarHBondContact O-N 3.42Å; L240-M439 HydrophobicContact CB-CE 3.59Å; L240-M439 HydrophobicContact CD1-CB 4.33Å; L240-M439 HydrophobicContact CD1-CE 4.2Å; L240-M439 VanDerWaalsContact CD1-O 3.3Å; L240-M439 WeakPolarHBondContact CD1-O 3.03Å; L240-M439 HydrophobicContact CG-CE 4.41Å; L240-L440 HydrophobicContact CD1-CD2 4.38Å; L240-I442 HydrophobicContact CD1-CD1 4.21Å; L240-I442 HydrophobicContact CD2-CD1 3.66Å; L240-I442 HydrophobicContact CD2-CG2 4.48Å
241	E	91.2	Very high	89.3	Confident	107 Å²	107	47.5 Å²	47.5	50%	0.5	25%	0.254	S	S	.	.	H	α-helix	trans	-59.3	-47.9	176.8	-72.1	168.1	-175.5	0	0	111.2	L212 S237 S238 L243 R244 E245	L212-E241 HydrophobicContact CD1-CG 4.45Å; S237-E241 WeakPolarHBondContact O-CG 3.37Å; S237-E241 PolarHBondContact O-N 2.92Å; S238-E241 PolarHBondContact O-N 3.1Å; E241-L243 PolarHBondContact O-N 3.33Å; E241-R244 PolarHBondContact O-N 3.4Å; E241-E245 WeakPolarHBondContact O-CB 3.45Å; E241-E245 PolarHBondContact O-N 2.89Å
242	L	93.6	Very high	88.1	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-44.1	175.7	177.8	62	0	0	0	112.1	I223 Q225 L234 S238 A239 R244 E245 K246 N328	I223-L242 HydrophobicContact CG2-CD2 3.77Å; Q225-L242 HydrophobicContact CG-CD2 4.2Å; L234-L242 HydrophobicContact CD1-CB 4.24Å; L234-L242 HydrophobicContact CD1-CD2 3.72Å; S238-L242 PolarHBondContact O-N 3.49Å; A239-L242 PolarHBondContact O-N 3.43Å; L242-R244 VanDerWaalsContact C-N 3.34Å; L242-R244 PolarHBondContact O-N 3.34Å; L242-E245 PolarHBondContact O-N 3.05Å; L242-K246 HydrophobicContact CD1-CG 4.02Å; L242-K246 HydrophobicContact CG-CG 4.38Å; L242-K246 WeakPolarHBondContact O-CB 3.41Å; L242-K246 WeakPolarHBondContact O-CG 3.44Å; L242-K246 PolarHBondContact O-N 3.42Å; L242-N328 HydrophobicContact CD2-CB 4.15Å
243	L	93.7	Very high	86.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-45.1	178.2	-73.1	169.7	0	0	0	111.4	A239 L240 E241 K246 E247 F374 V411 W435 V436 M439 L440	A239-L243 VanDerWaalsContact O-CG 3.25Å; A239-L243 WeakPolarHBondContact O-CG 3.45Å; A239-L243 PolarHBondContact O-N 3.36Å; L240-L243 PolarHBondContact O-N 2.81Å; E241-L243 PolarHBondContact O-N 3.33Å; L243-K246 PolarHBondContact O-N 3.26Å; L243-E247 WeakPolarHBondContact O-CB 3.45Å; L243-E247 PolarHBondContact O-N 2.94Å; L243-F374 HydrophobicContact CB-CZ 4.43Å; L243-F374 HydrophobicContact CD2-CE2 4.3Å; L243-F374 HydrophobicContact CD2-CZ 4.05Å; L243-F374 WeakPolarHBondContact O-CZ 3.28Å; L243-V411 HydrophobicContact CD2-CB 4.34Å; L243-V411 HydrophobicContact CD2-CG2 3.79Å; L243-W435 HydrophobicContact CD1-CZ3 3.9Å; L243-V436 HydrophobicContact CD1-CG1 4.19Å; L243-V436 HydrophobicContact CD1-CG2 4.22Å; L243-V436 HydrophobicContact CD2-CB 4.47Å; L243-V436 HydrophobicContact CD2-CG1 3.8Å; L243-V436 HydrophobicContact CD2-CG2 3.81Å; L243-M439 HydrophobicContact CD1-CB 3.95Å; L243-M439 HydrophobicContact CD1-CG 4.45Å; L243-L440 HydrophobicContact CB-CD2 3.9Å; L243-L440 HydrophobicContact CB-CG 4.44Å
244	R	90.5	Very high	84.3	Confident	54 Å²	54	57.4 Å²	57.4	20%	0.204	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-40.8	177.2	-73	178.7	171.6	-163.5	-4	112.3	L240 E241 L242 K246 E247 S248 L440 I442 Q443	L240-R244 HydrophobicContact CD1-CG 4.44Å; L240-R244 WeakPolarHBondContact O-CB 3.33Å; L240-R244 WeakPolarHBondContact O-CG 3.45Å; L240-R244 PolarHBondContact O-N 3.42Å; E241-R244 PolarHBondContact O-N 3.4Å; L242-R244 VanDerWaalsContact C-N 3.34Å; L242-R244 PolarHBondContact O-N 3.34Å; R244-K246 PolarHBondContact O-N 2.89Å; R244-E247 PolarHBondContact O-N 3.03Å; R244-S248 WeakPolarHBondContact O-CB 3.09Å; R244-S248 PolarHBondContact O-N 2.7Å; R244-L440 HydrophobicContact CG-CD2 4.16Å; R244-I442 PolarHBondContact NH2-O 3.08Å; R244-Q443 PolarHBondContact NH2-O 2.97Å
245	E	90.8	Very high	81.8	Confident	72 Å²	72	61.8 Å²	61.8	34%	0.336	33%	0.327	S	S	.	.	H	α-helix	trans	-57.7	-49.8	174.4	-173.7	-161.6	161.2	0	0	110.5	E241 L242 S248 R249	E241-E245 WeakPolarHBondContact O-CB 3.45Å; E241-E245 PolarHBondContact O-N 2.89Å; L242-E245 PolarHBondContact O-N 3.05Å; E245-S248 PolarHBondContact O-N 3.19Å; E245-S248 PolarHBondContact O-OG 2.96Å; E245-R249 WeakPolarHBondContact O-CG 3.46Å; E245-R249 PolarHBondContact O-N 3.42Å; E245-R249 VanDerWaalsContact O-N 3.08Å; E245-R249 IonicContact OE1-CZ 3.3Å; E245-R249 IonicContact OE1-NE 3.95Å; E245-R249 IonicContact OE1-NH1 2.88Å; E245-R249 PolarHBondContact OE1-NH1 2.95Å; E245-R249 IonicContact OE1-NH2 2.91Å; E245-R249 PolarHBondContact OE1-NH2 2.85Å
246	K	91.8	Very high	79.5	Confident	9 Å²	9	66.6 Å²	66.6	4%	0.039	34%	0.34	C	S	.	.	H	α-helix	trans	-65.2	-40.5	-179.9	-65.8	-76.1	-174.5	169.9	0	112.2	L242 L243 R244 R249 A250 F374 F408 C409 C410 V411	L242-K246 HydrophobicContact CD1-CG 4.02Å; L242-K246 HydrophobicContact CG-CG 4.38Å; L242-K246 WeakPolarHBondContact O-CB 3.41Å; L242-K246 WeakPolarHBondContact O-CG 3.44Å; L242-K246 PolarHBondContact O-N 3.42Å; L243-K246 PolarHBondContact O-N 3.26Å; R244-K246 PolarHBondContact O-N 2.89Å; K246-R249 PolarHBondContact O-N 2.64Å; K246-A250 PolarHBondContact O-N 3.19Å; K246-F374 HydrophobicContact CB-CD2 3.92Å; K246-F374 HydrophobicContact CB-CE2 3.77Å; K246-F408 PolarHBondContact NZ-O 2.74Å; K246-C409 WeakPolarHBondContact CD-O 3.24Å; K246-C410 VanDerWaalsContact CD-O 3.31Å; K246-C410 WeakPolarHBondContact CD-O 3.24Å; K246-C410 WeakPolarHBondContact CE-O 3.22Å; K246-C410 PolarHBondContact NZ-O 3.5Å; K246-V411 HydrophobicContact CB-CG2 4.39Å; K246-V411 HydrophobicContact CG-CG2 3.95Å
247	E	90.1	Very high	77.2	Confident	65 Å²	65	73.6 Å²	73.6	30%	0.304	37%	0.373	S	S	.	.	H	α-helix	trans	-59.1	-49.5	173.2	-176.2	176.8	-148.7	0	0	111.3	L243 R244 R249 A250 Q251 F374	L243-E247 WeakPolarHBondContact O-CB 3.45Å; L243-E247 PolarHBondContact O-N 2.94Å; R244-E247 PolarHBondContact O-N 3.03Å; E247-R249 VanDerWaalsContact C-N 3.26Å; E247-R249 PolarHBondContact O-N 2.89Å; E247-A250 PolarHBondContact O-N 2.79Å; E247-A250 VanDerWaalsContact O-N 3.13Å; E247-Q251 WeakPolarHBondContact O-CG 3.47Å; E247-Q251 PolarHBondContact O-N 3.48Å; E247-F374 HydrophobicContact CB-CD1 3.8Å; E247-F374 HydrophobicContact CB-CE1 3.68Å; E247-F374 HydrophobicContact CB-CG 4.33Å; E247-F374 HydrophobicContact CB-CZ 4.14Å; E247-F374 HydrophobicContact CG-CD1 3.97Å; E247-F374 HydrophobicContact CG-CE1 4.06Å
248	S	85.5	Confident	74.6	Confident	30 Å²	30	78.6 Å²	78.6	21%	0.21	39%	0.391	C	S	.	.	H	α-helix	trans	-62.5	-32.4	-179.9	81.2	0	0	0	0	113.1	R244 E245 R252	R244-S248 WeakPolarHBondContact O-CB 3.09Å; R244-S248 PolarHBondContact O-N 2.7Å; E245-S248 PolarHBondContact O-N 3.19Å; E245-S248 PolarHBondContact O-OG 2.96Å; S248-R252 WeakPolarHBondContact O-CG 3.28Å; S248-R252 PolarHBondContact O-N 3.45Å; S248-R252 PolarHBondContact O-NE 2.94Å; S248-R252 PolarHBondContact OG-NH2 3.2Å
249	R	83.7	Confident	72.2	Confident	130 Å²	130	80.8 Å²	80.8	49%	0.491	41%	0.406	S	S	.	.	H	α-helix	trans	-72.7	-39.1	175.5	-76.3	-176.8	178.4	170.3	8.8	111.7	E245 K246 E247 Q251	E245-R249 WeakPolarHBondContact O-CG 3.46Å; E245-R249 PolarHBondContact O-N 3.42Å; E245-R249 VanDerWaalsContact O-N 3.08Å; E245-R249 IonicContact OE1-CZ 3.3Å; E245-R249 IonicContact OE1-NE 3.95Å; E245-R249 IonicContact OE1-NH1 2.88Å; E245-R249 PolarHBondContact OE1-NH1 2.95Å; E245-R249 IonicContact OE1-NH2 2.91Å; E245-R249 PolarHBondContact OE1-NH2 2.85Å; K246-R249 PolarHBondContact O-N 2.64Å; E247-R249 VanDerWaalsContact C-N 3.26Å; E247-R249 PolarHBondContact O-N 2.89Å; R249-Q251 VanDerWaalsContact C-N 3.29Å; R249-Q251 PolarHBondContact O-N 3.42Å
250	A	81.5	Confident	69.3	Low	41 Å²	41	89.4 Å²	89.4	34%	0.339	45%	0.446	S	S	.	.	H	α-helix	trans	-65	-35.1	176.3	0	0	0	0	0	112	K246 E247 F374	K246-A250 PolarHBondContact O-N 3.19Å; E247-A250 PolarHBondContact O-N 2.79Å; E247-A250 VanDerWaalsContact O-N 3.13Å; A250-F374 HydrophobicContact CB-CB 3.48Å; A250-F374 VanDerWaalsContact CB-CB 3.48Å
251	Q	73.7	Confident	66.6	Low	147 Å²	147	95 Å²	95	69%	0.687	48%	0.477	S	S	*	.	H	α-helix	trans	-73.2	-39.3	177.7	-70.7	176.4	1.2	0	0	113.6	E247 R249 G253	E247-Q251 WeakPolarHBondContact O-CG 3.47Å; E247-Q251 PolarHBondContact O-N 3.48Å; R249-Q251 VanDerWaalsContact C-N 3.29Å; R249-Q251 PolarHBondContact O-N 3.42Å; Q251-G253 PolarHBondContact O-N 3.13Å; Q251-G253 VanDerWaalsContact O-N 3.09Å
252	R	67.1	Low	63.8	Low	170 Å²	170	98.3 Å²	98.3	64%	0.642	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-7.7	179.5	-78	-177.2	-89	-167.4	-5.2	113.9	S248	S248-R252 WeakPolarHBondContact O-CG 3.28Å; S248-R252 PolarHBondContact O-N 3.45Å; S248-R252 PolarHBondContact O-NE 2.94Å; S248-R252 PolarHBondContact OG-NH2 3.2Å
253	G	59.7	Low	61.1	Low	38 Å²	38	105.2 Å²	105.2	39%	0.392	53%	0.527	S	S	.	.			trans	69	147.6	-163.8	0	0	0	0	0	109.4	Q251 P255	Q251-G253 PolarHBondContact O-N 3.13Å; Q251-G253 VanDerWaalsContact O-N 3.09Å; G253-P255 WeakPolarHBondContact O-CD 3.24Å
254	I	51.2	Low	58.3	Low	143 Å²	143	112.9 Å²	112.9	73%	0.733	57%	0.567	S	S	*	*			trans	-58	112.1	178.1	-61.6	169.2	0	0	0	106.8	K256	I254-K256 PolarHBondContact O-N 2.92Å
255	P	42.3	Very low	55.9	Low	105 Å²	105	115.5 Å²	115.5	68%	0.682	59%	0.585	S	S	*	*			trans	-59.5	116.8	155.1	-7.3	25.1	0	0	0	102.2	G253 L257	G253-P255 WeakPolarHBondContact O-CD 3.24Å; P255-L257 PolarHBondContact O-N 3.19Å
256	K	39.4	Very low	53.5	Low	172 Å²	172	123.2 Å²	123.2	75%	0.748	61%	0.611	S	S	*	*			trans	-39.2	127.5	160.2	-77.6	177.2	177.5	175.5	0	104.5	I254 H258	I254-K256 PolarHBondContact O-N 2.92Å; K256-H258 PolarHBondContact O-N 3.06Å
257	L	36	Very low	51.4	Low	172 Å²	172	128.5 Å²	128.5	90%	0.901	65%	0.645	S	S	*	*			trans	-60.2	77.1	170.7	-172.1	79	0	0	0	105.6	P255 S259	P255-L257 PolarHBondContact O-N 3.19Å; L257-S259 VanDerWaalsContact C-N 3.3Å; L257-S259 PolarHBondContact O-N 3.49Å
258	H	32.6	Very low	49.6	Very low	150 Å²	150	130 Å²	130	69%	0.694	65%	0.654	S	S	*	*			trans	-58.7	112.5	154.6	-95.8	-55.1	0	0	0	101.2	K256 Q260	K256-H258 PolarHBondContact O-N 3.06Å; H258-Q260 PolarHBondContact O-N 3.25Å
259	S	38.5	Very low	48.8	Very low	87 Å²	87	134.7 Å²	134.7	61%	0.608	67%	0.672	S	S	*	*			trans	-31.5	95.5	148.9	44	0	0	0	0	106.8	L257 D261	L257-S259 VanDerWaalsContact C-N 3.3Å; L257-S259 PolarHBondContact O-N 3.49Å; S259-D261 PolarHBondContact O-N 3.2Å
260	Q	31.3	Very low	48.5	Very low	180 Å²	180	136 Å²	136	84%	0.841	68%	0.684	S	S	*	*			trans	-77.6	86.4	-178.3	-157.9	172.4	-7.8	0	0	103.4	H258 H262	H258-Q260 PolarHBondContact O-N 3.25Å; Q260-H262 PolarHBondContact O-N 2.99Å
261	D	33.6	Very low	48.7	Very low	119 Å²	119	136.4 Å²	136.4	64%	0.636	68%	0.679	S	S	*	*			trans	-51.8	127.9	176.7	-87.7	-39.4	0	0	0	109.2	S259	S259-D261 PolarHBondContact O-N 3.2Å
262	H	34	Very low	49.1	Very low	177 Å²	177	132.8 Å²	132.8	82%	0.819	66%	0.662	S	S	*	*			trans	50.8	67.7	147.1	-71.3	-74.8	0	0	0	117.8	Q260	Q260-H262 PolarHBondContact O-N 2.99Å
263	I	36.9	Very low	50.1	Low	149 Å²	149	128.5 Å²	128.5	76%	0.764	65%	0.652	S	S	*	*			trans	-123.1	89.8	150.1	-56.3	179.3	0	0	0	109.1	N265	I263-N265 PolarHBondContact O-N 3.1Å
264	L	33.7	Very low	51.5	Low	161 Å²	161	128 Å²	128	84%	0.843	64%	0.64	S	S	*	*			trans	20.3	88.4	153	-75	143	0	0	0	117.2
265	N	41.1	Very low	53.3	Low	109 Å²	109	124 Å²	124	58%	0.583	62%	0.617	S	S	*	*			trans	-140.1	90.1	149.1	-143.1	-1.1	0	0	0	109.4	I263 T267 I268	I263-N265 PolarHBondContact O-N 3.1Å; N265-T267 PolarHBondContact O-N 2.98Å; N265-T267 PolarHBondContact OD1-OG1 3.23Å; N265-I268 HydrophobicContact CB-CD1 4.4Å; N265-I268 PolarHBondContact O-N 3.04Å
266	R	40.2	Very low	55.6	Low	233 Å²	233	123 Å²	123	88%	0.879	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-58	-13.3	-178.5	-103.8	-179.5	175.8	176	-1.2	113.6
267	T	47.2	Very low	58.1	Low	121 Å²	121	116.5 Å²	116.5	74%	0.742	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-81	-7.1	-176.4	-5	0	0	0	0	114.7	N265	N265-T267 PolarHBondContact O-N 2.98Å; N265-T267 PolarHBondContact OD1-OG1 3.23Å
268	I	53.4	Low	60.8	Low	97 Å²	97	108.3 Å²	108.3	50%	0.497	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-101.8	-5.5	-175.9	-57.2	176.3	0	0	0	113.2	N265 E270 E271 E272	N265-I268 HydrophobicContact CB-CD1 4.4Å; N265-I268 PolarHBondContact O-N 3.04Å; I268-E270 VanDerWaalsContact C-N 3.32Å; I268-E270 PolarHBondContact O-N 3.49Å; I268-E271 PolarHBondContact O-N 3.4Å; I268-E272 PolarHBondContact O-N 3.44Å
269	Q	67.1	Low	63.7	Low	127 Å²	127	103.4 Å²	103.4	59%	0.593	52%	0.516	S	S	*	.	H	α-helix	trans	-60.2	-40	-173.2	-169.2	165.5	-5.5	0	0	112.7	E272 D273	Q269-E272 PolarHBondContact O-N 3.03Å; Q269-D273 WeakPolarHBondContact O-CB 3.39Å; Q269-D273 PolarHBondContact O-N 2.84Å
270	E	78.9	Confident	66.2	Low	159 Å²	159	105.2 Å²	105.2	74%	0.743	52%	0.515	S	S	*	.	H	α-helix	trans	-66.9	-40.3	-177.9	-62.8	-177.8	173.3	0	0	113.7	I268 D273 I274	I268-E270 VanDerWaalsContact C-N 3.32Å; I268-E270 PolarHBondContact O-N 3.49Å; E270-D273 PolarHBondContact O-N 3.03Å; E270-I274 VanDerWaalsContact O-CG1 3.28Å; E270-I274 WeakPolarHBondContact O-CG1 3.29Å; E270-I274 PolarHBondContact O-N 3.15Å
271	E	83.8	Confident	69.2	Low	49 Å²	49	96.9 Å²	96.9	23%	0.229	48%	0.476	C	S	.	.	H	α-helix	trans	-68.3	-40.1	178.5	-77.8	-77.4	122.2	0	0	111.3	I268 I274 K275 S298 T299 H300	I268-E271 PolarHBondContact O-N 3.4Å; E271-I274 PolarHBondContact O-N 3.08Å; E271-K275 PolarHBondContact O-N 3.45Å; E271-S298 VanDerWaalsContact OE1-CB 3.32Å; E271-S298 WeakPolarHBondContact OE1-CB 3.42Å; E271-T299 WeakPolarHBondContact OE2-CB 3.21Å; E271-T299 PolarHBondContact OE2-N 3.42Å; E271-T299 PolarHBondContact OE2-OG1 3.41Å; E271-H300 IonicContact OE2-ND1 4Å
272	E	83.9	Confident	71.9	Confident	71 Å²	71	92.6 Å²	92.6	33%	0.332	45%	0.451	S	S	.	.	H	α-helix	trans	-68.1	-38.2	175.1	-166.5	63.6	-149.6	0	0	110.9	I268 Q269 I274 K275 M276	I268-E272 PolarHBondContact O-N 3.44Å; Q269-E272 PolarHBondContact O-N 3.03Å; E272-I274 VanDerWaalsContact C-N 3.33Å; E272-I274 PolarHBondContact O-N 3.37Å; E272-K275 WeakPolarHBondContact O-CB 3.44Å; E272-K275 PolarHBondContact O-N 2.79Å; E272-K275 IonicContact OE1-NZ 3.6Å; E272-K275 PolarHBondContact OE1-NZ 3.11Å; E272-K275 IonicContact OE2-NZ 3.24Å; E272-K275 PolarHBondContact OE2-NZ 3.32Å; E272-M276 VanDerWaalsContact O-CG 3.31Å; E272-M276 WeakPolarHBondContact O-CG 3.37Å; E272-M276 PolarHBondContact O-N 3.26Å
273	D	86.9	Confident	74.7	Confident	80 Å²	80	90.6 Å²	90.6	43%	0.428	44%	0.441	S	S	.	.	H	α-helix	trans	-60.6	-41.2	173.7	-71.6	-17.8	0	0	0	111.5	Q269 E270 M276 C277	Q269-D273 WeakPolarHBondContact O-CB 3.39Å; Q269-D273 PolarHBondContact O-N 2.84Å; E270-D273 PolarHBondContact O-N 3.03Å; D273-M276 PolarHBondContact O-N 2.9Å; D273-C277 PolarHBondContact O-N 3.02Å; D273-C277 PolarHBondContact O-SG 3.31Å
274	I	88.8	Confident	77.4	Confident	27 Å²	27	87.6 Å²	87.6	14%	0.138	42%	0.422	C	S	.	.	H	α-helix	trans	-63.8	-43.5	174.6	-69	165.2	0	0	0	111	E270 E271 E272 M276 C277 A278 F295 S298 V301	E270-I274 VanDerWaalsContact O-CG1 3.28Å; E270-I274 WeakPolarHBondContact O-CG1 3.29Å; E270-I274 PolarHBondContact O-N 3.15Å; E271-I274 PolarHBondContact O-N 3.08Å; E272-I274 VanDerWaalsContact C-N 3.33Å; E272-I274 PolarHBondContact O-N 3.37Å; I274-M276 VanDerWaalsContact C-N 3.31Å; I274-M276 PolarHBondContact O-N 2.92Å; I274-C277 WeakPolarHBondContact O-CB 3.44Å; I274-C277 PolarHBondContact O-N 3.24Å; I274-A278 PolarHBondContact O-N 2.91Å; I274-F295 HydrophobicContact CG1-CB 4.33Å; I274-F295 HydrophobicContact CG2-CB 4.12Å; I274-F295 HydrophobicContact CG2-CD2 4.03Å; I274-F295 HydrophobicContact CG2-CG 4.48Å; I274-S298 WeakPolarHBondContact CG2-OG 3.26Å; I274-V301 HydrophobicContact CG2-CB 4.4Å; I274-V301 HydrophobicContact CG2-CG2 3.8Å
275	K	89.5	Confident	79.8	Confident	58 Å²	58	85.5 Å²	85.5	25%	0.252	41%	0.412	S	S	.	.	H	α-helix	trans	-61.8	-39.3	175.8	177.6	179.6	160.3	-141.5	0	111.6	E271 E272 A278 L279 H300	E271-K275 PolarHBondContact O-N 3.45Å; E272-K275 WeakPolarHBondContact O-CB 3.44Å; E272-K275 PolarHBondContact O-N 2.79Å; E272-K275 IonicContact OE1-NZ 3.6Å; E272-K275 PolarHBondContact OE1-NZ 3.11Å; E272-K275 IonicContact OE2-NZ 3.24Å; E272-K275 PolarHBondContact OE2-NZ 3.32Å; K275-A278 PolarHBondContact O-N 3.15Å; K275-L279 PolarHBondContact O-N 3.08Å; K275-H300 HydrophobicContact CB-CB 4.07Å; K275-H300 HydrophobicContact CD-CB 4.31Å; K275-H300 HydrophobicContact CG-CB 4.16Å
276	M	90.4	Very high	82.2	Confident	84 Å²	84	87 Å²	87	41%	0.414	41%	0.413	S	S	.	.	H	α-helix	trans	-65.5	-41.7	173.8	-69.9	-55.3	-66.2	0	0	111.7	E272 D273 I274 A278 L279 E280	E272-M276 VanDerWaalsContact O-CG 3.31Å; E272-M276 WeakPolarHBondContact O-CG 3.37Å; E272-M276 PolarHBondContact O-N 3.26Å; D273-M276 PolarHBondContact O-N 2.9Å; I274-M276 VanDerWaalsContact C-N 3.31Å; I274-M276 PolarHBondContact O-N 2.92Å; M276-A278 VanDerWaalsContact C-N 3.3Å; M276-A278 PolarHBondContact O-N 2.98Å; M276-L279 HydrophobicContact CE-CD2 4.19Å; M276-L279 WeakPolarHBondContact O-CB 3.49Å; M276-L279 PolarHBondContact O-N 2.82Å; M276-L279 HydrophobicContact SD-CD2 4.26Å; M276-E280 WeakPolarHBondContact O-CG 3.42Å; M276-E280 PolarHBondContact O-N 2.98Å
277	C	93	Very high	84.7	Confident	36 Å²	36	75.9 Å²	75.9	24%	0.243	37%	0.371	C	S	.	.	H	α-helix	trans	-61.2	-38.9	173	-67.5	0	0	0	0	112.1	D273 I274 E280 F281 F295	D273-C277 PolarHBondContact O-N 3.02Å; D273-C277 PolarHBondContact O-SG 3.31Å; I274-C277 WeakPolarHBondContact O-CB 3.44Å; I274-C277 PolarHBondContact O-N 3.24Å; C277-E280 PolarHBondContact O-N 3.14Å; C277-F281 VanDerWaalsContact O-CB 3.3Å; C277-F281 WeakPolarHBondContact O-CB 3.33Å; C277-F281 PolarHBondContact O-N 3.19Å; C277-F295 HydrophobicContact CB-CB 3.97Å; C277-F295 HydrophobicContact CB-CD1 3.41Å; C277-F295 VanDerWaalsContact CB-CD1 3.41Å; C277-F295 HydrophobicContact CB-CE1 3.95Å; C277-F295 HydrophobicContact CB-CG 3.74Å
278	A	92.2	Very high	87	Confident	0 Å²	0	75 Å²	75	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-67.5	-38.3	176	0	0	0	0	0	112.3	I274 K275 M276 F281 F282 F295 V301 Y333	I274-A278 PolarHBondContact O-N 2.91Å; K275-A278 PolarHBondContact O-N 3.15Å; M276-A278 VanDerWaalsContact C-N 3.3Å; M276-A278 PolarHBondContact O-N 2.98Å; A278-F281 PolarHBondContact O-N 3.38Å; A278-F282 WeakPolarHBondContact O-CB 3.2Å; A278-F282 PolarHBondContact O-N 3.48Å; A278-F295 HydrophobicContact CB-CE2 3.92Å; A278-F295 HydrophobicContact CB-CZ 4.17Å; A278-V301 HydrophobicContact CB-CG2 3.53Å; A278-Y333 HydrophobicContact CB-CD2 3.59Å; A278-Y333 HydrophobicContact CB-CE2 4.04Å; A278-Y333 HydrophobicContact CB-CG 4.01Å
279	L	92.9	Very high	88.9	Confident	47 Å²	47	73 Å²	73	25%	0.246	35%	0.348	C	S	.	.	H	α-helix	trans	-63.4	-42.9	172.2	179.1	68.2	0	0	0	111.6	K275 M276 F282 K283 Y333	K275-L279 PolarHBondContact O-N 3.08Å; M276-L279 HydrophobicContact CE-CD2 4.19Å; M276-L279 WeakPolarHBondContact O-CB 3.49Å; M276-L279 PolarHBondContact O-N 2.82Å; M276-L279 HydrophobicContact SD-CD2 4.26Å; L279-F282 WeakPolarHBondContact O-CB 3.49Å; L279-F282 PolarHBondContact O-N 3.39Å; L279-K283 WeakPolarHBondContact O-CG 3.35Å; L279-K283 PolarHBondContact O-N 2.69Å; L279-K283 VanDerWaalsContact O-N 3.16Å; L279-Y333 WeakPolarHBondContact CD1-OH 3.45Å
280	E	92.3	Very high	90.1	Very high	125 Å²	125	72.4 Å²	72.4	58%	0.584	34%	0.344	S	S	*	.	H	α-helix	trans	-64.3	-42.5	173.7	-73.7	-173.1	172.2	0	0	112	M276 C277 F282 K283 K284	M276-E280 WeakPolarHBondContact O-CG 3.42Å; M276-E280 PolarHBondContact O-N 2.98Å; C277-E280 PolarHBondContact O-N 3.14Å; E280-F282 VanDerWaalsContact C-N 3.27Å; E280-F282 PolarHBondContact O-N 2.97Å; E280-K283 WeakPolarHBondContact O-CB 3.47Å; E280-K283 PolarHBondContact O-N 3.44Å; E280-K284 PolarHBondContact O-N 3.26Å
281	F	92.6	Very high	90.8	Very high	5 Å²	5	67 Å²	67	2%	0.022	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-39.7	174.1	-177.2	-98.7	0	0	0	111.6	C277 A278 K283 K284 L287 L293 F295 I335 L388 V400 V402	C277-F281 VanDerWaalsContact O-CB 3.3Å; C277-F281 WeakPolarHBondContact O-CB 3.33Å; C277-F281 PolarHBondContact O-N 3.19Å; A278-F281 PolarHBondContact O-N 3.38Å; F281-K283 PolarHBondContact O-N 3.34Å; F281-K284 HydrophobicContact CD2-CD 4.22Å; F281-K284 WeakPolarHBondContact O-CB 3.48Å; F281-K284 PolarHBondContact O-N 2.84Å; F281-L287 HydrophobicContact CD2-CD2 4.28Å; F281-L287 HydrophobicContact CE2-CD1 3.88Å; F281-L287 HydrophobicContact CE2-CD2 3.47Å; F281-L287 VanDerWaalsContact CE2-CD2 3.47Å; F281-L287 HydrophobicContact CE2-CG 4.33Å; F281-L287 HydrophobicContact CZ-CD1 3.52Å; F281-L287 HydrophobicContact CZ-CD2 4.02Å; F281-L287 HydrophobicContact CZ-CG 4.42Å; F281-L293 HydrophobicContact CD2-CD2 3.37Å; F281-L293 HydrophobicContact CE2-CD2 3.38Å; F281-L293 HydrophobicContact CE2-CG 4.4Å; F281-L293 HydrophobicContact CG-CD2 4.02Å; F281-L293 HydrophobicContact CZ-CD2 4.03Å; F281-F295 HydrophobicContact CB-CE1 3.96Å; F281-F295 HydrophobicContact CB-CZ 3.86Å; F281-F295 HydrophobicContact CG-CE1 4.37Å; F281-F295 HydrophobicContact CG-CZ 4.12Å; F281-I335 HydrophobicContact CD1-CD1 3.75Å; F281-I335 HydrophobicContact CD1-CG1 4.31Å; F281-I335 HydrophobicContact CE1-CD1 3.95Å; F281-I335 HydrophobicContact CE1-CG1 4.17Å; F281-I335 HydrophobicContact CE1-CG2 3.73Å; F281-I335 HydrophobicContact CZ-CG2 4.27Å; F281-L388 HydrophobicContact CD1-CD1 4.39Å; F281-L388 HydrophobicContact CE1-CD1 3.86Å; F281-L388 HydrophobicContact CZ-CD1 4.04Å; F281-V400 HydrophobicContact CE1-CG1 4.3Å; F281-V400 HydrophobicContact CZ-CG1 4.33Å; F281-V402 HydrophobicContact CD1-CG2 4.28Å; F281-V402 HydrophobicContact CE1-CG2 3.84Å
282	F	92.1	Very high	91.2	Very high	29 Å²	29	71.6 Å²	71.6	13%	0.127	34%	0.338	C	S	.	.	H	α-helix	trans	-63.5	-28.1	174.6	-171.7	-103.9	0	0	0	112.8	A278 L279 E280 Y333 T384 K386 V402 Q404	A278-F282 WeakPolarHBondContact O-CB 3.2Å; A278-F282 PolarHBondContact O-N 3.48Å; L279-F282 WeakPolarHBondContact O-CB 3.49Å; L279-F282 PolarHBondContact O-N 3.39Å; E280-F282 VanDerWaalsContact C-N 3.27Å; E280-F282 PolarHBondContact O-N 2.97Å; F282-Y333 HydrophobicContact CB-CE1 4.11Å; F282-Y333 HydrophobicContact CD2-CD1 4.44Å; F282-Y333 HydrophobicContact CD2-CE1 4.36Å; F282-Y333 HydrophobicContact CG-CE1 4.17Å; F282-T384 HydrophobicContact CZ-CG2 3.77Å; F282-K386 HydrophobicContact CD2-CB 4.15Å; F282-K386 HydrophobicContact CE2-CB 3.51Å; F282-K386 HydrophobicContact CE2-CD 4.48Å; F282-K386 HydrophobicContact CZ-CB 3.92Å; F282-K386 WeakPolarHBondContact O-CD 3.02Å; F282-K386 PolarHBondContact O-NZ 3.43Å; F282-V402 HydrophobicContact CD2-CB 3.91Å; F282-V402 HydrophobicContact CD2-CG1 3.61Å; F282-V402 HydrophobicContact CE2-CB 4.25Å; F282-V402 HydrophobicContact CE2-CG1 4.18Å; F282-Q404 HydrophobicContact CE2-CB 4.21Å; F282-Q404 HydrophobicContact CZ-CB 4.35Å
283	K	92.7	Very high	91.6	Very high	136 Å²	136	68.9 Å²	68.9	59%	0.591	33%	0.325	S	S	*	.	H	α-helix	trans	-76.7	-22.7	176	-68.8	171.8	-175	174.5	0	113.5	L279 E280 F281 K386	L279-K283 WeakPolarHBondContact O-CG 3.35Å; L279-K283 PolarHBondContact O-N 2.69Å; L279-K283 VanDerWaalsContact O-N 3.16Å; E280-K283 WeakPolarHBondContact O-CB 3.47Å; E280-K283 PolarHBondContact O-N 3.44Å; F281-K283 PolarHBondContact O-N 3.34Å; K283-K386 PolarHBondContact O-NZ 3.2Å
284	K	92	Very high	91.7	Very high	85 Å²	85	70.2 Å²	70.2	37%	0.37	34%	0.341	S	S	.	.			trans	-58.1	153.9	177	-66.1	-169.5	176.3	-171.1	0	112	E280 F281 L287 E291 K386 L388	E280-K284 PolarHBondContact O-N 3.26Å; F281-K284 HydrophobicContact CD2-CD 4.22Å; F281-K284 WeakPolarHBondContact O-CB 3.48Å; F281-K284 PolarHBondContact O-N 2.84Å; K284-L287 HydrophobicContact CD-CD2 3.77Å; K284-E291 IonicContact NZ-OE1 2.97Å; K284-E291 PolarHBondContact NZ-OE1 2.81Å; K284-K386 WeakPolarHBondContact O-CE 3.43Å; K284-K386 PolarHBondContact O-NZ 2.78Å; K284-L388 WeakPolarHBondContact O-CD2 3.37Å
285	D	85.6	Confident	91.9	Very high	118 Å²	118	69.3 Å²	69.3	63%	0.631	34%	0.336	S	S	*	.	S	Bend	trans	-110.7	-24.6	177.6	-66.3	-35.9	0	0	0	114	K386	D285-K386 IonicContact OD1-NZ 3.79Å; D285-K386 PolarHBondContact OD1-NZ 3.49Å
286	K	90.3	Very high	91.9	Very high	139 Å²	139	69 Å²	69	60%	0.604	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.4	148	-177.6	-59.3	-179.3	-176.1	172.1	0	109.4	K389 Y391	K286-K389 WeakPolarHBondContact CA-O 3.21Å; K286-Y391 HydrophobicContact CB-CD2 4.35Å; K286-Y391 HydrophobicContact CB-CE2 4.21Å; K286-Y391 HydrophobicContact CD-CE2 3.91Å; K286-Y391 HydrophobicContact CG-CE2 3.93Å
287	L	94.1	Very high	92	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153	176.7	-60.1	172.9	0	0	0	109.7	F281 K284 E291 V345 L388 K389 V390 Y391 V400	F281-L287 HydrophobicContact CD2-CD2 4.28Å; F281-L287 HydrophobicContact CE2-CD1 3.88Å; F281-L287 HydrophobicContact CE2-CD2 3.47Å; F281-L287 VanDerWaalsContact CE2-CD2 3.47Å; F281-L287 HydrophobicContact CE2-CG 4.33Å; F281-L287 HydrophobicContact CZ-CD1 3.52Å; F281-L287 HydrophobicContact CZ-CD2 4.02Å; F281-L287 HydrophobicContact CZ-CG 4.42Å; K284-L287 HydrophobicContact CD-CD2 3.77Å; L287-E291 WeakPolarHBondContact CA-OE2 3.32Å; L287-V345 HydrophobicContact CB-CG1 4.07Å; L287-V345 HydrophobicContact CD1-CG1 4.02Å; L287-V345 HydrophobicContact CD1-CG2 4.19Å; L287-L388 HydrophobicContact CD1-CB 3.88Å; L287-L388 HydrophobicContact CD1-CD1 3.81Å; L287-L388 HydrophobicContact CG-CB 4.22Å; L287-L388 HydrophobicContact CG-CD1 4.27Å; L287-K389 PolarHBondContact N-O 3.09Å; L287-V390 HydrophobicContact CB-CG2 4.35Å; L287-V390 CarbonylContact O-C 3.56Å; L287-V390 VanDerWaalsContact O-CA 3.31Å; L287-V390 WeakPolarHBondContact O-CA 3.48Å; L287-Y391 PolarHBondContact O-N 3.38Å; L287-V400 HydrophobicContact CD1-CB 3.92Å; L287-V400 HydrophobicContact CD1-CG1 4.26Å; L287-V400 HydrophobicContact CD1-CG2 3.84Å
288	N	94.7	Very high	92	Very high	103 Å²	103	64.1 Å²	64.1	55%	0.551	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	144.8	172.2	-68.5	-45	0	0	0	111.1	K290 E291 Y391	N288-K290 PolarHBondContact O-N 3.08Å; N288-E291 HydrophobicContact CB-CB 4.19Å; N288-E291 PolarHBondContact N-OE2 3.11Å; N288-E291 WeakPolarHBondContact O-CB 3.38Å; N288-E291 PolarHBondContact O-N 3.32Å; N288-Y391 CarbonylContact C-O 3.59Å
289	Y	93.7	Very high	92	Very high	53 Å²	53	65.4 Å²	65.4	21%	0.208	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	130.5	172.8	179.7	-98.2	0	0	0	109.8	E291 F346 Y391 Q392 Y397	Y289-E291 PolarHBondContact O-N 3.41Å; Y289-F346 HydrophobicContact CE2-CB 4.49Å; Y289-F346 AromaticContact CE2-CD1 3.67Å; Y289-F346 HydrophobicContact CE2-CD1 3.67Å; Y289-F346 HydrophobicContact CE2-CE1 4.35Å; Y289-F346 HydrophobicContact CE2-CG 4.45Å; Y289-F346 AromaticContact CZ-CD1 3.78Å; Y289-F346 WeakPolarHBondContact OH-CD1 3.27Å; Y289-Y391 WeakPolarHBondContact CB-O 3.46Å; Y289-Y391 PolarHBondContact N-O 3.42Å; Y289-Q392 HydrophobicContact CD1-CG 4.04Å; Y289-Q392 HydrophobicContact CG-CB 4.25Å; Y289-Q392 HydrophobicContact CG-CG 4.22Å; Y289-Y397 AromaticContact CD2-CD1 3.73Å; Y289-Y397 HydrophobicContact CD2-CD1 3.73Å; Y289-Y397 HydrophobicContact CD2-CD2 4.34Å; Y289-Y397 AromaticContact CD2-CE1 3.63Å; Y289-Y397 HydrophobicContact CD2-CE1 3.63Å; Y289-Y397 HydrophobicContact CD2-CE2 4.22Å; Y289-Y397 HydrophobicContact CD2-CG 4.11Å; Y289-Y397 AromaticContact CD2-CZ 3.86Å; Y289-Y397 HydrophobicContact CE2-CD1 4.16Å; Y289-Y397 AromaticContact CE2-CE1 3.57Å; Y289-Y397 HydrophobicContact CE2-CE1 3.57Å; Y289-Y397 HydrophobicContact CE2-CE2 4Å; Y289-Y397 AromaticContact CE2-CZ 3.45Å; Y289-Y397 VanDerWaalsContact CE2-CZ 3.45Å
290	K	92.2	Very high	92	Very high	115 Å²	115	63.6 Å²	63.6	50%	0.5	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	20.3	-168.7	-63.1	178.8	170.2	-167.7	0	115	N288 K292 V345 F346	N288-K290 PolarHBondContact O-N 3.08Å; K290-K292 PolarHBondContact O-N 2.94Å; K290-V345 PolarHBondContact N-O 3.05Å; K290-F346 HydrophobicContact CG-CE1 4.36Å; K290-F346 HydrophobicContact CG-CZ 4.48Å
291	E	92.9	Very high	92.1	Very high	45 Å²	45	57.6 Å²	57.6	21%	0.21	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-60.2	127.2	165.2	-176.9	-179.7	158.6	0	0	109	K284 L287 N288 Y289 E344 V345	K284-E291 IonicContact NZ-OE1 2.97Å; K284-E291 PolarHBondContact NZ-OE1 2.81Å; L287-E291 WeakPolarHBondContact CA-OE2 3.32Å; N288-E291 HydrophobicContact CB-CB 4.19Å; N288-E291 PolarHBondContact N-OE2 3.11Å; N288-E291 WeakPolarHBondContact O-CB 3.38Å; N288-E291 PolarHBondContact O-N 3.32Å; Y289-E291 PolarHBondContact O-N 3.41Å; E291-E344 CarbonylContact O-C 3.54Å; E291-E344 WeakPolarHBondContact O-CA 3.49Å; E291-V345 HydrophobicContact CB-CB 4.3Å; E291-V345 HydrophobicContact CB-CG2 4.2Å; E291-V345 WeakPolarHBondContact O-CG2 3.36Å; E291-V345 PolarHBondContact O-N 3.44Å
292	K	92.5	Very high	92.3	Very high	147 Å²	147	57.6 Å²	57.6	64%	0.639	28%	0.282	S	S	*	.	B	Isolated β-bridge	trans	-91.3	127.3	180	-169.4	173.1	-176.9	178.2	0	110	K290 K343	K290-K292 PolarHBondContact O-N 2.94Å; K292-K343 WeakPolarHBondContact CA-O 3.28Å
293	L	92.3	Very high	92.3	Very high	13 Å²	13	56.3 Å²	56.3	7%	0.068	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-75.3	147.4	175.9	-70.1	137	0	0	0	111.3	F281 F295 F303 V338 K343 V345	F281-L293 HydrophobicContact CD2-CD2 3.37Å; F281-L293 HydrophobicContact CE2-CD2 3.38Å; F281-L293 HydrophobicContact CE2-CG 4.4Å; F281-L293 HydrophobicContact CG-CD2 4.02Å; F281-L293 HydrophobicContact CZ-CD2 4.03Å; L293-F295 VanDerWaalsContact C-N 3.31Å; L293-F295 HydrophobicContact CB-CD1 4.45Å; L293-F295 HydrophobicContact CB-CE1 4.45Å; L293-F295 HydrophobicContact CD2-CD1 4.27Å; L293-F295 HydrophobicContact CD2-CE1 3.47Å; L293-F295 VanDerWaalsContact CD2-CE1 3.47Å; L293-F295 HydrophobicContact CD2-CZ 3.67Å; L293-F303 HydrophobicContact CD1-CZ 4.3Å; L293-V338 HydrophobicContact CD1-CB 4.03Å; L293-V338 HydrophobicContact CD1-CG1 3.23Å; L293-V338 HydrophobicContact CD1-CG2 3.58Å; L293-K343 HydrophobicContact CB-CB 4.4Å; L293-K343 PolarHBondContact N-O 3.04Å; L293-V345 HydrophobicContact CD1-CG2 4.4Å
294	S	89.9	Confident	92.2	Very high	108 Å²	108	52 Å²	52	76%	0.755	26%	0.257	S	S	*	.	S	Bend	trans	-81.8	-5.6	177.6	50.8	0	0	0	0	114.1
295	F	92	Very high	91.9	Very high	9 Å²	9	52.2 Å²	52.2	4%	0.039	26%	0.256	C	S	.	.			trans	-132.8	164.9	-175.1	62.9	-82.7	0	0	0	112.2	I274 C277 A278 F281 L293 V301 F303 I335	I274-F295 HydrophobicContact CG1-CB 4.33Å; I274-F295 HydrophobicContact CG2-CB 4.12Å; I274-F295 HydrophobicContact CG2-CD2 4.03Å; I274-F295 HydrophobicContact CG2-CG 4.48Å; C277-F295 HydrophobicContact CB-CB 3.97Å; C277-F295 HydrophobicContact CB-CD1 3.41Å; C277-F295 VanDerWaalsContact CB-CD1 3.41Å; C277-F295 HydrophobicContact CB-CE1 3.95Å; C277-F295 HydrophobicContact CB-CG 3.74Å; A278-F295 HydrophobicContact CB-CE2 3.92Å; A278-F295 HydrophobicContact CB-CZ 4.17Å; F281-F295 HydrophobicContact CB-CE1 3.96Å; F281-F295 HydrophobicContact CB-CZ 3.86Å; F281-F295 HydrophobicContact CG-CE1 4.37Å; F281-F295 HydrophobicContact CG-CZ 4.12Å; L293-F295 VanDerWaalsContact C-N 3.31Å; L293-F295 HydrophobicContact CB-CD1 4.45Å; L293-F295 HydrophobicContact CB-CE1 4.45Å; L293-F295 HydrophobicContact CD2-CD1 4.27Å; L293-F295 HydrophobicContact CD2-CE1 3.47Å; L293-F295 VanDerWaalsContact CD2-CE1 3.47Å; L293-F295 HydrophobicContact CD2-CZ 3.67Å; F295-V301 HydrophobicContact CD2-CG1 4.13Å; F295-V301 HydrophobicContact CD2-CG2 4.34Å; F295-V301 HydrophobicContact CE2-CG1 3.78Å; F295-V301 HydrophobicContact CE2-CG2 4.2Å; F295-F303 HydrophobicContact CD2-CE1 4.32Å; F295-F303 AromaticContact CD2-CZ 3.8Å; F295-F303 HydrophobicContact CD2-CZ 3.8Å; F295-F303 AromaticContact CE2-CE1 3.78Å; F295-F303 HydrophobicContact CE2-CE1 3.78Å; F295-F303 AromaticContact CE2-CZ 3.7Å; F295-F303 HydrophobicContact CE2-CZ 3.7Å; F295-F303 HydrophobicContact CZ-CE1 4.46Å; F295-F303 HydrophobicContact CZ-CZ 4.46Å; F295-I335 HydrophobicContact CE2-CD1 4.11Å; F295-I335 HydrophobicContact CZ-CD1 4.1Å
296	T	90.8	Very high	91.5	Very high	51 Å²	51	47.7 Å²	47.7	31%	0.313	23%	0.231	S	C	.	.			trans	-108.5	176.8	-178	47.8	0	0	0	0	112.6	K343	T296-K343 HydrophobicContact CG2-CD 3.89Å
297	E	92.4	Very high	90.6	Very high	18 Å²	18	45.5 Å²	45.5	8%	0.084	23%	0.229	C	C	.	.			trans	-56.9	146.8	156.8	-61.8	-168.8	155.8	0	0	110.1	T229 V301 F303 K304	T229-E297 HydrophobicContact CG2-CB 3.56Å; E297-V301 VanDerWaalsContact CA-O 3.28Å; E297-V301 WeakPolarHBondContact CA-O 3.43Å; E297-V301 WeakPolarHBondContact CB-O 3.25Å; E297-F303 HydrophobicContact CG-CB 3.96Å; E297-F303 HydrophobicContact CG-CD2 3.72Å; E297-F303 HydrophobicContact CG-CE2 4.44Å; E297-F303 HydrophobicContact CG-CG 3.88Å; E297-F303 WeakPolarHBondContact OE1-CA 3.32Å; E297-F303 WeakPolarHBondContact OE1-CB 3.36Å; E297-F303 PolarHBondContact OE1-N 3.13Å; E297-K304 IonicContact OE1-NZ 3.89Å
298	S	93.1	Very high	89.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-157.4	-176.5	-176.6	73.9	0	0	0	0	109.8	R226 V228 E271 I274 H300 V301	R226-S298 PolarHBondContact NH2-O 2.72Å; V228-S298 CarbonylContact O-C 3.59Å; E271-S298 VanDerWaalsContact OE1-CB 3.32Å; E271-S298 WeakPolarHBondContact OE1-CB 3.42Å; I274-S298 WeakPolarHBondContact CG2-OG 3.26Å; S298-H300 PolarHBondContact O-N 3.28Å; S298-H300 VanDerWaalsContact O-N 3.08Å; S298-H300 PolarHBondContact OG-N 3.3Å; S298-V301 PolarHBondContact N-O 3.11Å; S298-V301 PolarHBondContact O-N 2.97Å; S298-V301 VanDerWaalsContact O-N 3.16Å; S298-V301 PolarHBondContact OG-N 3.32Å
299	T	90.6	Very high	88	Confident	27 Å²	27	51.1 Å²	51.1	17%	0.166	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-30.1	174.2	-47.5	0	0	0	0	111.8	R226 V228 E271 F326 T329	R226-T299 HydrophobicContact CB-CG2 3.83Å; R226-T299 WeakPolarHBondContact CB-O 3.29Å; R226-T299 WeakPolarHBondContact CG-O 3.38Å; R226-T299 PolarHBondContact NE-O 3.11Å; V228-T299 VanDerWaalsContact O-CA 3.26Å; V228-T299 WeakPolarHBondContact O-CA 3.46Å; V228-T299 PolarHBondContact O-N 3.43Å; E271-T299 WeakPolarHBondContact OE2-CB 3.21Å; E271-T299 PolarHBondContact OE2-N 3.42Å; E271-T299 PolarHBondContact OE2-OG1 3.41Å; T299-F326 VanDerWaalsContact O-CE1 3.25Å; T299-F326 WeakPolarHBondContact O-CE1 3.35Å; T299-T329 HydrophobicContact CG2-CG2 4.2Å
300	H	93.8	Very high	87.1	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.037	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-1.7	-177.5	-47.4	93.1	0	0	0	114.4	E271 K275 S298 Q330 G332 Y333	E271-H300 IonicContact OE2-ND1 4Å; K275-H300 HydrophobicContact CB-CB 4.07Å; K275-H300 HydrophobicContact CD-CB 4.31Å; K275-H300 HydrophobicContact CG-CB 4.16Å; S298-H300 PolarHBondContact O-N 3.28Å; S298-H300 VanDerWaalsContact O-N 3.08Å; S298-H300 PolarHBondContact OG-N 3.3Å; H300-Q330 PolarHBondContact NE2-OE1 3.47Å; H300-G332 CarbonylContact O-C 3.56Å; H300-G332 WeakPolarHBondContact O-CA 3.29Å; H300-Y333 PolarHBondContact O-N 2.98Å
301	V	95	Very high	86.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131	-174.9	-179.8	0	0	0	0	111.8	R226 I274 A278 F295 E297 S298 F303 Y333 I335	R226-V301 PolarHBondContact NH2-O 3.05Å; I274-V301 HydrophobicContact CG2-CB 4.4Å; I274-V301 HydrophobicContact CG2-CG2 3.8Å; A278-V301 HydrophobicContact CB-CG2 3.53Å; F295-V301 HydrophobicContact CD2-CG1 4.13Å; F295-V301 HydrophobicContact CD2-CG2 4.34Å; F295-V301 HydrophobicContact CE2-CG1 3.78Å; F295-V301 HydrophobicContact CE2-CG2 4.2Å; E297-V301 VanDerWaalsContact CA-O 3.28Å; E297-V301 WeakPolarHBondContact CA-O 3.43Å; E297-V301 WeakPolarHBondContact CB-O 3.25Å; S298-V301 PolarHBondContact N-O 3.11Å; S298-V301 PolarHBondContact O-N 2.97Å; S298-V301 VanDerWaalsContact O-N 3.16Å; S298-V301 PolarHBondContact OG-N 3.32Å; V301-F303 HydrophobicContact CG1-CD1 3.9Å; V301-F303 HydrophobicContact CG1-CE1 3.39Å; V301-F303 HydrophobicContact CG1-CZ 3.9Å; V301-Y333 WeakPolarHBondContact CA-O 3.09Å; V301-I335 HydrophobicContact CG1-CD1 4.31Å
302	E	95.3	Very high	85.8	Confident	5 Å²	5	50.4 Å²	50.4	2%	0.023	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.1	171.5	-173	80.3	-179.3	0	0	111.1	R226 K304 Y322 F326 Y333 I335	R226-E302 IonicContact CZ-OE2 2.62Å; R226-E302 VanDerWaalsContact CZ-OE2 3.3Å; R226-E302 IonicContact NH1-OE2 2.77Å; R226-E302 PolarHBondContact NH1-OE2 3.31Å; R226-E302 IonicContact NH2-OE2 3.53Å; R226-E302 PolarHBondContact NH2-OE2 2.86Å; E302-K304 HydrophobicContact CG-CG 4.41Å; E302-K304 WeakPolarHBondContact OE1-CE 3.49Å; E302-K304 IonicContact OE1-NZ 3.61Å; E302-K304 PolarHBondContact OE1-NZ 2.91Å; E302-Y322 HydrophobicContact CB-CD1 4.41Å; E302-Y322 HydrophobicContact CB-CE1 4.45Å; E302-Y322 HydrophobicContact CG-CD1 3.89Å; E302-Y322 HydrophobicContact CG-CE1 3.53Å; E302-Y322 HydrophobicContact CG-CE2 4.5Å; E302-Y322 WeakPolarHBondContact OE1-CE1 3.37Å; E302-Y322 PolarHBondContact OE1-OH 2.92Å; E302-F326 HydrophobicContact CB-CE2 4.2Å; E302-F326 HydrophobicContact CB-CZ 3.98Å; E302-Y333 PolarHBondContact N-O 3.46Å; E302-I335 PolarHBondContact O-N 2.99Å
303	F	93.8	Very high	85.4	Confident	1 Å²	1	46.2 Å²	46.2	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.2	176.3	-61.3	-29.5	0	0	0	110.9	L293 F295 E297 V301 I335 V338 D340	L293-F303 HydrophobicContact CD1-CZ 4.3Å; F295-F303 HydrophobicContact CD2-CE1 4.32Å; F295-F303 AromaticContact CD2-CZ 3.8Å; F295-F303 HydrophobicContact CD2-CZ 3.8Å; F295-F303 AromaticContact CE2-CE1 3.78Å; F295-F303 HydrophobicContact CE2-CE1 3.78Å; F295-F303 AromaticContact CE2-CZ 3.7Å; F295-F303 HydrophobicContact CE2-CZ 3.7Å; F295-F303 HydrophobicContact CZ-CE1 4.46Å; F295-F303 HydrophobicContact CZ-CZ 4.46Å; E297-F303 HydrophobicContact CG-CB 3.96Å; E297-F303 HydrophobicContact CG-CD2 3.72Å; E297-F303 HydrophobicContact CG-CE2 4.44Å; E297-F303 HydrophobicContact CG-CG 3.88Å; E297-F303 WeakPolarHBondContact OE1-CA 3.32Å; E297-F303 WeakPolarHBondContact OE1-CB 3.36Å; E297-F303 PolarHBondContact OE1-N 3.13Å; V301-F303 HydrophobicContact CG1-CD1 3.9Å; V301-F303 HydrophobicContact CG1-CE1 3.39Å; V301-F303 HydrophobicContact CG1-CZ 3.9Å; F303-I335 HydrophobicContact CD1-CB 4.02Å; F303-I335 HydrophobicContact CD1-CD1 4.22Å; F303-I335 HydrophobicContact CE1-CB 4.39Å; F303-I335 HydrophobicContact CE1-CD1 3.75Å; F303-V338 HydrophobicContact CB-CB 4.45Å; F303-V338 HydrophobicContact CB-CG1 4.23Å; F303-V338 HydrophobicContact CD1-CB 4.35Å; F303-V338 HydrophobicContact CD1-CG1 4.08Å; F303-V338 HydrophobicContact CD2-CG1 4.05Å; F303-V338 HydrophobicContact CE1-CG1 4.42Å; F303-V338 HydrophobicContact CE2-CG1 4.4Å; F303-V338 HydrophobicContact CG-CB 4.39Å; F303-V338 HydrophobicContact CG-CG1 3.87Å; F303-D340 HydrophobicContact CB-CB 4.25Å
304	K	89.3	Confident	84.9	Confident	45 Å²	45	50.1 Å²	50.1	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	125.5	174.6	-70.3	-68.8	160.2	-95.8	0	112.1	E297 E302 F306 Y322 I335 I336 G337 V338	E297-K304 IonicContact OE1-NZ 3.89Å; E302-K304 HydrophobicContact CG-CG 4.41Å; E302-K304 WeakPolarHBondContact OE1-CE 3.49Å; E302-K304 IonicContact OE1-NZ 3.61Å; E302-K304 PolarHBondContact OE1-NZ 2.91Å; K304-F306 HydrophobicContact CB-CE2 4.19Å; K304-F306 HydrophobicContact CB-CZ 4.09Å; K304-Y322 WeakPolarHBondContact CE-OH 3.27Å; K304-Y322 PolarHBondContact NZ-OH 3.28Å; K304-I335 PolarHBondContact N-O 2.89Å; K304-I336 CarbonylContact O-C 3.55Å; K304-I336 VanDerWaalsContact O-CA 3.31Å; K304-I336 WeakPolarHBondContact O-CA 3.42Å; K304-G337 PolarHBondContact O-N 3.14Å; K304-V338 CarbonylContact C-O 3.55Å
305	R	86.4	Confident	84.6	Confident	90 Å²	90	45.1 Å²	45.1	34%	0.34	22%	0.22	S	C	.	.			trans	-111.3	125.8	170.9	-174.8	179.7	176.4	-171.4	4.7	111.2	T307 V338 D339 F346	R305-T307 HydrophobicContact CG-CG2 4.36Å; R305-V338 WeakPolarHBondContact CB-O 3.23Å; R305-V338 PolarHBondContact N-O 2.88Å; R305-D339 WeakPolarHBondContact CD-OD1 3.34Å; R305-D339 IonicContact CZ-OD1 3.97Å; R305-D339 IonicContact NE-OD1 3.9Å; R305-D339 IonicContact NH1-OD1 2.83Å; R305-D339 PolarHBondContact NH1-OD1 3.27Å; R305-F346 VanDerWaalsContact CZ-CD2 3.46Å; R305-F346 VanDerWaalsContact NH2-CE1 3.32Å
306	F	77.3	Confident	84.3	Confident	24 Å²	24	49.6 Å²	49.6	11%	0.105	24%	0.24	C	C	.	.			trans	-114.7	111	173.8	-57.2	-59.9	0	0	0	110.2	K304 I311 R314 I315 I336	K304-F306 HydrophobicContact CB-CE2 4.19Å; K304-F306 HydrophobicContact CB-CZ 4.09Å; F306-I311 HydrophobicContact CB-CB 4.43Å; F306-I311 HydrophobicContact CB-CD1 4.48Å; F306-I311 HydrophobicContact CB-CG1 3.75Å; F306-I311 HydrophobicContact CB-CG2 4.42Å; F306-I311 HydrophobicContact CD2-CG2 4Å; F306-R314 HydrophobicContact CD1-CB 3.97Å; F306-R314 VanDerWaalsContact CD1-CD 3.48Å; F306-R314 HydrophobicContact CD1-CG 4.39Å; F306-R314 HydrophobicContact CE1-CB 3.67Å; F306-R314 HydrophobicContact CE1-CG 4.37Å; F306-R314 HydrophobicContact CZ-CB 4.12Å; F306-I315 HydrophobicContact CD2-CG1 4.33Å; F306-I315 HydrophobicContact CE2-CD1 4.22Å; F306-I315 HydrophobicContact CE2-CG1 3.63Å; F306-I315 HydrophobicContact CZ-CG1 4.22Å; F306-I336 HydrophobicContact CD2-CG2 3.74Å; F306-I336 HydrophobicContact CE2-CG2 3.81Å
307	T	71.9	Confident	83.9	Confident	92 Å²	92	52.4 Å²	52.4	56%	0.564	25%	0.249	S	C	*	.			trans	-87.1	-16.6	-178.8	51.5	0	0	0	0	113.8	R305	R305-T307 HydrophobicContact CG-CG2 4.36Å
308	T	67.1	Low	83.7	Confident	44 Å²	44	53.6 Å²	53.6	27%	0.27	26%	0.258	S	S	.	.	S	Bend	trans	-91.2	166.3	-171.9	74.5	0	0	0	0	112.4	K310 I311	T308-K310 PolarHBondContact O-N 2.86Å; T308-K310 PolarHBondContact OG1-N 3.2Å; T308-I311 VanDerWaalsContact O-CG1 3.3Å; T308-I311 WeakPolarHBondContact O-CG1 3.47Å
309	K	66.8	Low	83.7	Confident	179 Å²	179	53.9 Å²	53.9	78%	0.778	26%	0.259	S	S	*	.	S	Bend	trans	-68.4	-6.8	169.3	-66.5	-174.3	178.7	-176.1	0	113.5	I311 K352	K309-I311 VanDerWaalsContact C-N 3.32Å; K309-I311 PolarHBondContact O-N 3.43Å; K309-K352 HydrophobicContact CG-CD 4.34Å
310	K	74	Confident	84	Confident	146 Å²	146	53.4 Å²	53.4	64%	0.635	26%	0.258	S	S	*	.			trans	-94	40	-177	-59.4	-174.8	178.5	-177.3	0	112.6	T308 P313 R314	T308-K310 PolarHBondContact O-N 2.86Å; T308-K310 PolarHBondContact OG1-N 3.2Å; K310-P313 HydrophobicContact CB-CG 4.3Å; K310-R314 WeakPolarHBondContact O-CB 3.4Å; K310-R314 WeakPolarHBondContact O-CG 3.46Å; K310-R314 PolarHBondContact O-N 3.2Å; K310-R314 VanDerWaalsContact O-N 3.15Å
311	I	78.3	Confident	84.1	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-53.1	-178.6	-62.4	174.2	0	0	0	110.1	F306 T308 K309 R314 I315 C348 V353	F306-I311 HydrophobicContact CB-CB 4.43Å; F306-I311 HydrophobicContact CB-CD1 4.48Å; F306-I311 HydrophobicContact CB-CG1 3.75Å; F306-I311 HydrophobicContact CB-CG2 4.42Å; F306-I311 HydrophobicContact CD2-CG2 4Å; T308-I311 VanDerWaalsContact O-CG1 3.3Å; T308-I311 WeakPolarHBondContact O-CG1 3.47Å; K309-I311 VanDerWaalsContact C-N 3.32Å; K309-I311 PolarHBondContact O-N 3.43Å; I311-R314 PolarHBondContact O-N 3.04Å; I311-I315 HydrophobicContact CG2-CD1 3.75Å; I311-I315 HydrophobicContact CG2-CG1 4.46Å; I311-I315 WeakPolarHBondContact O-CG1 3.41Å; I311-I315 PolarHBondContact O-N 3.34Å; I311-C348 HydrophobicContact CD1-CB 4.34Å; I311-V353 HydrophobicContact CB-CG2 4.22Å; I311-V353 HydrophobicContact CD1-CG2 3.32Å; I311-V353 HydrophobicContact CG1-CG2 4.29Å; I311-V353 HydrophobicContact CG2-CG2 4.24Å
312	V	80.3	Confident	84.1	Confident	47 Å²	47	56.8 Å²	56.8	29%	0.285	27%	0.273	S	S	.	.	H	α-helix	trans	-58.9	-50.2	-179.4	170.4	0	0	0	0	112.5	R314 I315 K316 E361	V312-R314 PolarHBondContact O-N 3.47Å; V312-I315 PolarHBondContact O-N 3.17Å; V312-K316 PolarHBondContact O-N 2.93Å; V312-E361 HydrophobicContact CG1-CG 4.01Å
313	P	83	Confident	84.2	Confident	59 Å²	59	56.6 Å²	56.6	38%	0.383	27%	0.271	S	S	.	.	H	α-helix	trans	-56.5	-43.1	174.1	-27.8	33.9	0	0	0	114.2	K310 I315 K316 E317	K310-P313 HydrophobicContact CB-CG 4.3Å; P313-I315 VanDerWaalsContact C-N 3.32Å; P313-I315 PolarHBondContact O-N 2.72Å; P313-K316 WeakPolarHBondContact O-CB 3.42Å; P313-K316 PolarHBondContact O-N 2.57Å; P313-E317 WeakPolarHBondContact O-CG 3.25Å; P313-E317 PolarHBondContact O-N 3.08Å
314	R	82.7	Confident	84.4	Confident	94 Å²	94	56.5 Å²	56.5	36%	0.355	27%	0.271	S	S	.	.	H	α-helix	trans	-64.9	-37.9	178.6	-76.8	-174.8	175.8	179.9	-0.2	112.3	F306 K310 I311 V312 E317 T318	F306-R314 HydrophobicContact CD1-CB 3.97Å; F306-R314 VanDerWaalsContact CD1-CD 3.48Å; F306-R314 HydrophobicContact CD1-CG 4.39Å; F306-R314 HydrophobicContact CE1-CB 3.67Å; F306-R314 HydrophobicContact CE1-CG 4.37Å; F306-R314 HydrophobicContact CZ-CB 4.12Å; K310-R314 WeakPolarHBondContact O-CB 3.4Å; K310-R314 WeakPolarHBondContact O-CG 3.46Å; K310-R314 PolarHBondContact O-N 3.2Å; K310-R314 VanDerWaalsContact O-N 3.15Å; I311-R314 PolarHBondContact O-N 3.04Å; V312-R314 PolarHBondContact O-N 3.47Å; R314-E317 PolarHBondContact O-N 3.46Å; R314-T318 PolarHBondContact O-N 2.91Å; R314-T318 VanDerWaalsContact O-N 3.09Å; R314-T318 PolarHBondContact O-OG1 3.04Å; R314-T318 VanDerWaalsContact O-OG1 3.07Å
315	I	83.5	Confident	84.8	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.015	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-44.8	174.9	-70	173.8	0	0	0	110.2	F306 I311 V312 P313 E317 T318 L319 I336 L358 I362	F306-I315 HydrophobicContact CD2-CG1 4.33Å; F306-I315 HydrophobicContact CE2-CD1 4.22Å; F306-I315 HydrophobicContact CE2-CG1 3.63Å; F306-I315 HydrophobicContact CZ-CG1 4.22Å; I311-I315 HydrophobicContact CG2-CD1 3.75Å; I311-I315 HydrophobicContact CG2-CG1 4.46Å; I311-I315 WeakPolarHBondContact O-CG1 3.41Å; I311-I315 PolarHBondContact O-N 3.34Å; V312-I315 PolarHBondContact O-N 3.17Å; P313-I315 VanDerWaalsContact C-N 3.32Å; P313-I315 PolarHBondContact O-N 2.72Å; I315-E317 PolarHBondContact O-N 3.06Å; I315-T318 PolarHBondContact O-N 3.44Å; I315-L319 HydrophobicContact CG2-CB 4.07Å; I315-L319 HydrophobicContact CG2-CD2 3.93Å; I315-L319 WeakPolarHBondContact O-CB 3.4Å; I315-L319 PolarHBondContact O-N 3.39Å; I315-I336 HydrophobicContact CD1-CD1 3.8Å; I315-I336 HydrophobicContact CG1-CD1 4.16Å; I315-L358 HydrophobicContact CD1-CD1 3.43Å; I315-L358 VanDerWaalsContact CD1-CD1 3.43Å; I315-I362 HydrophobicContact CG2-CG1 4.22Å
316	K	84.4	Confident	85.3	Confident	104 Å²	104	50.1 Å²	50.1	45%	0.452	25%	0.246	S	C	.	.	H	α-helix	trans	-57.3	-37.2	174.2	-69.8	-178	178.8	-167.8	0	112.8	V312 P313 E361	V312-K316 PolarHBondContact O-N 2.93Å; P313-K316 WeakPolarHBondContact O-CB 3.42Å; P313-K316 PolarHBondContact O-N 2.57Å; K316-E361 WeakPolarHBondContact CE-OE1 3.44Å; K316-E361 WeakPolarHBondContact CE-OE2 3.46Å; K316-E361 IonicContact NZ-OE1 2.69Å; K316-E361 PolarHBondContact NZ-OE1 3.26Å; K316-E361 VanDerWaalsContact NZ-OE1 3.1Å; K316-E361 IonicContact NZ-OE2 2.89Å; K316-E361 PolarHBondContact NZ-OE2 3.15Å
317	E	82.3	Confident	86.3	Confident	109 Å²	109	49 Å²	49	51%	0.509	24%	0.241	S	C	.	.	H	α-helix	trans	-75.2	-28.9	-178.6	-72.8	169.4	-170.9	0	0	114	P313 R314 I315	P313-E317 WeakPolarHBondContact O-CG 3.25Å; P313-E317 PolarHBondContact O-N 3.08Å; R314-E317 PolarHBondContact O-N 3.46Å; I315-E317 PolarHBondContact O-N 3.06Å
318	T	88.7	Confident	87.5	Confident	44 Å²	44	44.7 Å²	44.7	27%	0.27	22%	0.215	S	C	.	.	H	α-helix	trans	-117.3	-26.6	-170.7	63.4	0	0	0	0	115	R314 I315 A320 H321 Y322	R314-T318 PolarHBondContact O-N 2.91Å; R314-T318 VanDerWaalsContact O-N 3.09Å; R314-T318 PolarHBondContact O-OG1 3.04Å; R314-T318 VanDerWaalsContact O-OG1 3.07Å; I315-T318 PolarHBondContact O-N 3.44Å; T318-A320 VanDerWaalsContact C-N 3.31Å; T318-A320 PolarHBondContact O-N 3.27Å; T318-H321 PolarHBondContact O-N 3.25Å; T318-Y322 VanDerWaalsContact O-CD2 3.22Å; T318-Y322 WeakPolarHBondContact O-CD2 2.86Å; T318-Y322 PolarHBondContact O-N 2.91Å
319	L	94.4	Very high	88.8	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-40.7	-172.1	179.8	64.5	0	0	0	112.2	I315 H321 Y322 V323 I334 I362 C365 I366	I315-L319 HydrophobicContact CG2-CB 4.07Å; I315-L319 HydrophobicContact CG2-CD2 3.93Å; I315-L319 WeakPolarHBondContact O-CB 3.4Å; I315-L319 PolarHBondContact O-N 3.39Å; L319-H321 VanDerWaalsContact C-N 3.31Å; L319-H321 PolarHBondContact O-N 2.84Å; L319-Y322 PolarHBondContact O-N 3.24Å; L319-V323 HydrophobicContact CD1-CG2 3.75Å; L319-V323 HydrophobicContact CG-CG2 3.96Å; L319-V323 VanDerWaalsContact O-CG2 3.28Å; L319-V323 WeakPolarHBondContact O-CG2 3.2Å; L319-V323 PolarHBondContact O-N 3.13Å; L319-I334 HydrophobicContact CD1-CD1 3.74Å; L319-I362 HydrophobicContact CD2-CB 4.21Å; L319-I362 HydrophobicContact CD2-CG1 4.1Å; L319-I362 HydrophobicContact CD2-CG2 4Å; L319-C365 HydrophobicContact CD2-CB 3.79Å; L319-I366 HydrophobicContact CD2-CG1 4.24Å
320	A	95.7	Very high	89.9	Confident	17 Å²	17	41.1 Å²	41.1	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-57.6	-41.3	-179.8	0	0	0	0	0	112.9	T318 S324 L369 A414	T318-A320 VanDerWaalsContact C-N 3.31Å; T318-A320 PolarHBondContact O-N 3.27Å; A320-S324 VanDerWaalsContact O-CB 3.29Å; A320-S324 WeakPolarHBondContact O-CB 3.2Å; A320-S324 PolarHBondContact O-N 3.21Å; A320-L369 HydrophobicContact CB-CD2 3.6Å; A320-A414 HydrophobicContact CB-CB 3.99Å
321	H	95.4	Very high	90.9	Very high	44 Å²	44	34.3 Å²	34.3	20%	0.204	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-46.1	178.3	-59.4	171.3	0	0	0	111.3	Y224 T318 L319 A325	Y224-H321 HydrophobicContact CD1-CB 4.35Å; Y224-H321 HydrophobicContact CD2-CB 4.49Å; Y224-H321 HydrophobicContact CE1-CB 4.21Å; Y224-H321 HydrophobicContact CE2-CB 4.35Å; Y224-H321 AromaticContact CE2-CD2 3.65Å; Y224-H321 HydrophobicContact CG-CB 4.5Å; Y224-H321 AromaticContact CZ-CD2 3.64Å; Y224-H321 AromaticContact CZ-CG 3.78Å; Y224-H321 AromaticContact CZ-NE2 3.99Å; Y224-H321 PolarHBondContact OH-NE2 3.24Å; T318-H321 PolarHBondContact O-N 3.25Å; L319-H321 VanDerWaalsContact C-N 3.31Å; L319-H321 PolarHBondContact O-N 2.84Å; H321-A325 VanDerWaalsContact O-CB 3.29Å; H321-A325 WeakPolarHBondContact O-CB 3.49Å; H321-A325 PolarHBondContact O-N 3.02Å
322	Y	96.2	Very high	91.7	Very high	35 Å²	35	34.4 Å²	34.4	14%	0.137	17%	0.173	C	C	.	.	H	α-helix	trans	-68.9	-41.1	-179.2	-68.7	-64.8	0	0	0	112.4	A231 E302 K304 T318 L319 A325 F326	A231-Y322 HydrophobicContact CB-CD1 4.1Å; A231-Y322 HydrophobicContact CB-CE1 4.08Å; E302-Y322 HydrophobicContact CB-CD1 4.41Å; E302-Y322 HydrophobicContact CB-CE1 4.45Å; E302-Y322 HydrophobicContact CG-CD1 3.89Å; E302-Y322 HydrophobicContact CG-CE1 3.53Å; E302-Y322 HydrophobicContact CG-CE2 4.5Å; E302-Y322 WeakPolarHBondContact OE1-CE1 3.37Å; E302-Y322 PolarHBondContact OE1-OH 2.92Å; K304-Y322 WeakPolarHBondContact CE-OH 3.27Å; K304-Y322 PolarHBondContact NZ-OH 3.28Å; T318-Y322 VanDerWaalsContact O-CD2 3.22Å; T318-Y322 WeakPolarHBondContact O-CD2 2.86Å; T318-Y322 PolarHBondContact O-N 2.91Å; L319-Y322 PolarHBondContact O-N 3.24Å; Y322-A325 PolarHBondContact O-N 3.33Å; Y322-F326 WeakPolarHBondContact O-CD2 3.33Å; Y322-F326 PolarHBondContact O-N 3.48Å
323	V	97.4	Very high	92.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.5	-44.8	178.5	174.4	0	0	0	0	110.5	L319 A325 A327 I334 I366 L369 V381 V405	L319-V323 HydrophobicContact CD1-CG2 3.75Å; L319-V323 HydrophobicContact CG-CG2 3.96Å; L319-V323 VanDerWaalsContact O-CG2 3.28Å; L319-V323 WeakPolarHBondContact O-CG2 3.2Å; L319-V323 PolarHBondContact O-N 3.13Å; V323-A325 VanDerWaalsContact C-N 3.34Å; V323-A325 PolarHBondContact O-N 2.76Å; V323-A327 WeakPolarHBondContact O-CB 3.48Å; V323-A327 PolarHBondContact O-N 3.11Å; V323-I334 HydrophobicContact CG2-CD1 4.16Å; V323-I366 HydrophobicContact CG1-CD1 4.49Å; V323-I366 HydrophobicContact CG1-CG1 4.22Å; V323-I366 HydrophobicContact CG1-CG2 4.09Å; V323-I366 HydrophobicContact CG2-CD1 3.84Å; V323-I366 HydrophobicContact CG2-CG1 3.85Å; V323-L369 HydrophobicContact CB-CD1 3.9Å; V323-L369 HydrophobicContact CG1-CD1 3.51Å; V323-V381 HydrophobicContact CG1-CG1 4.09Å; V323-V405 HydrophobicContact CG1-CG1 4.27Å; V323-V405 HydrophobicContact CG1-CG2 4.39Å; V323-V405 HydrophobicContact CG2-CG2 4.08Å
324	S	97.5	Very high	93.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-56.5	-47.7	171.4	176.3	0	0	0	0	111.1	Y224 A320 A327 N328 V412	Y224-S324 PolarHBondContact N-OG 2.95Å; Y224-S324 VanDerWaalsContact N-OG 3.11Å; A320-S324 VanDerWaalsContact O-CB 3.29Å; A320-S324 WeakPolarHBondContact O-CB 3.2Å; A320-S324 PolarHBondContact O-N 3.21Å; S324-A327 PolarHBondContact O-N 3.08Å; S324-N328 WeakPolarHBondContact O-CB 3.47Å; S324-N328 VanDerWaalsContact O-CG 3.25Å; S324-N328 PolarHBondContact O-N 3.07Å; S324-N328 PolarHBondContact O-ND2 2.98Å; S324-N328 PolarHBondContact OG-ND2 3.38Å; S324-V412 PolarHBondContact OG-O 3.44Å
325	A	97.6	Very high	93.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.7	-51.4	179.8	0	0	0	0	0	113	Y224 R226 A231 H321 Y322 V323 T329	Y224-A325 WeakPolarHBondContact O-CA 3.44Å; R226-A325 HydrophobicContact CG-CB 3.84Å; A231-A325 HydrophobicContact CB-CB 3.94Å; H321-A325 VanDerWaalsContact O-CB 3.29Å; H321-A325 WeakPolarHBondContact O-CB 3.49Å; H321-A325 PolarHBondContact O-N 3.02Å; Y322-A325 PolarHBondContact O-N 3.33Å; V323-A325 VanDerWaalsContact C-N 3.34Å; V323-A325 PolarHBondContact O-N 2.76Å; A325-T329 WeakPolarHBondContact O-CB 3.37Å; A325-T329 PolarHBondContact O-N 2.87Å; A325-T329 PolarHBondContact O-OG1 3.44Å
326	F	97.9	Very high	94	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.7	-44.9	-180	-72.9	-59	0	0	0	111.9	R226 T299 E302 Y322 N328 T329 G331 I334 V405	R226-F326 HydrophobicContact CG-CD1 3.58Å; R226-F326 HydrophobicContact CG-CE1 3.72Å; R226-F326 HydrophobicContact CG-CG 4.22Å; R226-F326 HydrophobicContact CG-CZ 4.43Å; T299-F326 VanDerWaalsContact O-CE1 3.25Å; T299-F326 WeakPolarHBondContact O-CE1 3.35Å; E302-F326 HydrophobicContact CB-CE2 4.2Å; E302-F326 HydrophobicContact CB-CZ 3.98Å; Y322-F326 WeakPolarHBondContact O-CD2 3.33Å; Y322-F326 PolarHBondContact O-N 3.48Å; F326-N328 VanDerWaalsContact C-N 3.34Å; F326-N328 PolarHBondContact O-N 3.23Å; F326-T329 PolarHBondContact O-N 2.72Å; F326-T329 VanDerWaalsContact O-N 3.11Å; F326-G331 WeakPolarHBondContact CD1-O 3.41Å; F326-G331 WeakPolarHBondContact O-CA 3.36Å; F326-G331 PolarHBondContact O-N 2.92Å; F326-I334 HydrophobicContact CD2-CD1 4.26Å; F326-I334 HydrophobicContact CD2-CG1 3.98Å; F326-I334 HydrophobicContact CE2-CD1 4.23Å; F326-I334 HydrophobicContact CE2-CG1 3.53Å; F326-V405 HydrophobicContact CB-CB 3.97Å; F326-V405 HydrophobicContact CB-CG1 4.03Å
327	A	97.1	Very high	94.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.1	-39.3	-179.2	0	0	0	0	0	112.5	V323 S324 T329 V405 F408 V412	V323-A327 WeakPolarHBondContact O-CB 3.48Å; V323-A327 PolarHBondContact O-N 3.11Å; S324-A327 PolarHBondContact O-N 3.08Å; A327-T329 VanDerWaalsContact C-N 3.26Å; A327-T329 PolarHBondContact O-N 3.21Å; A327-V405 HydrophobicContact CB-CG1 4.11Å; A327-F408 HydrophobicContact CB-CB 3.9Å; A327-F408 WeakPolarHBondContact O-CB 3.32Å; A327-F408 PolarHBondContact O-N 3.23Å; A327-V412 HydrophobicContact CB-CB 4.07Å; A327-V412 HydrophobicContact CB-CG2 3.68Å
328	N	97.2	Very high	94.8	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.016	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.6	178	-65.6	-33	0	0	0	113.9	I223 Y224 Q225 L242 S324 F326 V412	I223-N328 WeakPolarHBondContact CG2-ND2 3.04Å; Y224-N328 VanDerWaalsContact O-CB 3.29Å; Y224-N328 WeakPolarHBondContact O-CB 3.4Å; Y224-N328 PolarHBondContact O-ND2 3.21Å; Q225-N328 HydrophobicContact CG-CB 3.95Å; Q225-N328 PolarHBondContact NE2-O 3.34Å; L242-N328 HydrophobicContact CD2-CB 4.15Å; S324-N328 WeakPolarHBondContact O-CB 3.47Å; S324-N328 VanDerWaalsContact O-CG 3.25Å; S324-N328 PolarHBondContact O-N 3.07Å; S324-N328 PolarHBondContact O-ND2 2.98Å; S324-N328 PolarHBondContact OG-ND2 3.38Å; F326-N328 VanDerWaalsContact C-N 3.34Å; F326-N328 PolarHBondContact O-N 3.23Å; N328-V412 PolarHBondContact ND2-O 3.04Å; N328-V412 PolarHBondContact OD1-N 3.45Å
329	T	93.9	Very high	94.9	Very high	35 Å²	35	15 Å²	15	22%	0.215	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-113.3	178.7	-45.9	0	0	0	0	109.6	R226 T299 A325 F326 A327	R226-T329 HydrophobicContact CB-CG2 4.22Å; R226-T329 PolarHBondContact N-OG1 3.15Å; T299-T329 HydrophobicContact CG2-CG2 4.2Å; A325-T329 WeakPolarHBondContact O-CB 3.37Å; A325-T329 PolarHBondContact O-N 2.87Å; A325-T329 PolarHBondContact O-OG1 3.44Å; F326-T329 PolarHBondContact O-N 2.72Å; F326-T329 VanDerWaalsContact O-N 3.11Å; A327-T329 VanDerWaalsContact C-N 3.26Å; A327-T329 PolarHBondContact O-N 3.21Å
330	Q	91	Very high	94.5	Very high	113 Å²	113	18.2 Å²	18.2	53%	0.528	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	20.3	-177.6	-66	-179.4	-9.9	0	0	112.6	H300 P407	H300-Q330 PolarHBondContact NE2-OE1 3.47Å; Q330-P407 WeakPolarHBondContact O-CG 3.49Å
331	G	93.8	Very high	94.2	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.031	13%	0.128	C	C	.	.			trans	74.5	-178.8	-167.9	0	0	0	0	0	112.8	F326 V405	F326-G331 WeakPolarHBondContact CD1-O 3.41Å; F326-G331 WeakPolarHBondContact O-CA 3.36Å; F326-G331 PolarHBondContact O-N 2.92Å; G331-V405 CarbonylContact C-O 3.46Å; G331-V405 WeakPolarHBondContact CA-O 3.17Å
332	G	95.7	Very high	94	Very high	6 Å²	6	26.1 Å²	26.1	6%	0.062	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166	-171	179	0	0	0	0	0	114.3	H300 Q404 V405	H300-G332 CarbonylContact O-C 3.56Å; H300-G332 WeakPolarHBondContact O-CA 3.29Å; G332-Q404 CarbonylContact O-C 3.58Å; G332-Q404 WeakPolarHBondContact O-CA 3.46Å; G332-V405 PolarHBondContact N-O 2.62Å; G332-V405 PolarHBondContact O-N 3.26Å
333	Y	96.9	Very high	93.7	Very high	14 Å²	14	27.7 Å²	27.7	6%	0.055	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125	-171	-59.9	-91.2	0	0	0	111.3	A278 L279 F282 H300 V301 E302 V402 V403 Q404	A278-Y333 HydrophobicContact CB-CD2 3.59Å; A278-Y333 HydrophobicContact CB-CE2 4.04Å; A278-Y333 HydrophobicContact CB-CG 4.01Å; L279-Y333 WeakPolarHBondContact CD1-OH 3.45Å; F282-Y333 HydrophobicContact CB-CE1 4.11Å; F282-Y333 HydrophobicContact CD2-CD1 4.44Å; F282-Y333 HydrophobicContact CD2-CE1 4.36Å; F282-Y333 HydrophobicContact CG-CE1 4.17Å; H300-Y333 PolarHBondContact O-N 2.98Å; V301-Y333 WeakPolarHBondContact CA-O 3.09Å; E302-Y333 PolarHBondContact N-O 3.46Å; Y333-V402 HydrophobicContact CD1-CG1 4.17Å; Y333-V403 WeakPolarHBondContact CA-O 3.49Å; Y333-Q404 HydrophobicContact CD1-CB 3.83Å; Y333-Q404 HydrophobicContact CD1-CG 3.99Å; Y333-Q404 HydrophobicContact CE1-CB 3.7Å; Y333-Q404 HydrophobicContact CE1-CG 3.46Å; Y333-Q404 VanDerWaalsContact CE1-CG 3.46Å; Y333-Q404 PolarHBondContact OH-NE2 3.47Å; Y333-Q404 VanDerWaalsContact OH-NE2 3.1Å
334	I	95.1	Very high	93.6	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.4	168.9	-54.5	161.2	0	0	0	107.7	L319 V323 F326 I336 V402 V403	L319-I334 HydrophobicContact CD1-CD1 3.74Å; V323-I334 HydrophobicContact CG2-CD1 4.16Å; F326-I334 HydrophobicContact CD2-CD1 4.26Å; F326-I334 HydrophobicContact CD2-CG1 3.98Å; F326-I334 HydrophobicContact CE2-CD1 4.23Å; F326-I334 HydrophobicContact CE2-CG1 3.53Å; I334-I336 HydrophobicContact CG2-CG1 4.08Å; I334-V402 CarbonylContact O-C 3.52Å; I334-V402 WeakPolarHBondContact O-CA 3.38Å; I334-V403 HydrophobicContact CB-CB 4.27Å; I334-V403 PolarHBondContact N-O 3.03Å; I334-V403 PolarHBondContact O-N 2.97Å
335	I	94.8	Very high	93.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	105	-178.7	-61.1	161.6	0	0	0	109.4	F281 F295 V301 E302 F303 K304 V338 V400 V402	F281-I335 HydrophobicContact CD1-CD1 3.75Å; F281-I335 HydrophobicContact CD1-CG1 4.31Å; F281-I335 HydrophobicContact CE1-CD1 3.95Å; F281-I335 HydrophobicContact CE1-CG1 4.17Å; F281-I335 HydrophobicContact CE1-CG2 3.73Å; F281-I335 HydrophobicContact CZ-CG2 4.27Å; F295-I335 HydrophobicContact CE2-CD1 4.11Å; F295-I335 HydrophobicContact CZ-CD1 4.1Å; V301-I335 HydrophobicContact CG1-CD1 4.31Å; E302-I335 PolarHBondContact O-N 2.99Å; F303-I335 HydrophobicContact CD1-CB 4.02Å; F303-I335 HydrophobicContact CD1-CD1 4.22Å; F303-I335 HydrophobicContact CE1-CB 4.39Å; F303-I335 HydrophobicContact CE1-CD1 3.75Å; K304-I335 PolarHBondContact N-O 2.89Å; I335-V338 HydrophobicContact CG2-CB 4.12Å; I335-V338 HydrophobicContact CG2-CG2 3.49Å; I335-V338 VanDerWaalsContact CG2-CG2 3.49Å; I335-V400 HydrophobicContact CG2-CG1 3.73Å; I335-V402 HydrophobicContact CG1-CB 4.47Å; I335-V402 HydrophobicContact CG1-CG1 3.78Å; I335-V402 HydrophobicContact CG1-CG2 4.13Å; I335-V402 HydrophobicContact CG2-CG2 4.36Å
336	I	91.3	Very high	92.9	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	122.6	-179	-53	174.8	0	0	0	109.7	K304 F306 I315 I334 V400 C401	K304-I336 CarbonylContact O-C 3.55Å; K304-I336 VanDerWaalsContact O-CA 3.31Å; K304-I336 WeakPolarHBondContact O-CA 3.42Å; F306-I336 HydrophobicContact CD2-CG2 3.74Å; F306-I336 HydrophobicContact CE2-CG2 3.81Å; I315-I336 HydrophobicContact CD1-CD1 3.8Å; I315-I336 HydrophobicContact CG1-CD1 4.16Å; I334-I336 HydrophobicContact CG2-CG1 4.08Å; I336-V400 CarbonylContact O-C 3.56Å; I336-V400 VanDerWaalsContact O-CA 3.29Å; I336-V400 WeakPolarHBondContact O-CA 3.28Å; I336-V400 WeakPolarHBondContact O-CG1 3.4Å; I336-C401 HydrophobicContact CB-CB 4.23Å; I336-C401 PolarHBondContact N-O 2.9Å; I336-C401 PolarHBondContact O-N 3.3Å
337	G	90.7	Very high	92.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	114.2	1.7	-177.1	0	0	0	0	0	113.6	K304 F346 G347	K304-G337 PolarHBondContact O-N 3.14Å; G337-F346 PolarHBondContact O-N 2.75Å; G337-G347 PolarHBondContact O-N 3.06Å
338	V	92.3	Very high	92	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-105.5	136.2	174.2	171.8	0	0	0	0	109.3	L293 F303 K304 R305 I335 V345	L293-V338 HydrophobicContact CD1-CB 4.03Å; L293-V338 HydrophobicContact CD1-CG1 3.23Å; L293-V338 HydrophobicContact CD1-CG2 3.58Å; F303-V338 HydrophobicContact CB-CB 4.45Å; F303-V338 HydrophobicContact CB-CG1 4.23Å; F303-V338 HydrophobicContact CD1-CB 4.35Å; F303-V338 HydrophobicContact CD1-CG1 4.08Å; F303-V338 HydrophobicContact CD2-CG1 4.05Å; F303-V338 HydrophobicContact CE1-CG1 4.42Å; F303-V338 HydrophobicContact CE2-CG1 4.4Å; F303-V338 HydrophobicContact CG-CB 4.39Å; F303-V338 HydrophobicContact CG-CG1 3.87Å; K304-V338 CarbonylContact C-O 3.55Å; R305-V338 WeakPolarHBondContact CB-O 3.23Å; R305-V338 PolarHBondContact N-O 2.88Å; I335-V338 HydrophobicContact CG2-CB 4.12Å; I335-V338 HydrophobicContact CG2-CG2 3.49Å; I335-V338 VanDerWaalsContact CG2-CG2 3.49Å; V338-V345 HydrophobicContact CG2-CG2 4.14Å
339	D	91	Very high	91.5	Very high	29 Å²	29	35 Å²	35	16%	0.155	18%	0.176	C	C	.	.			trans	-81.3	121.7	173.6	-169.1	78.2	0	0	0	110.5	R305 K341 S342 K343 E344 F346	R305-D339 WeakPolarHBondContact CD-OD1 3.34Å; R305-D339 IonicContact CZ-OD1 3.97Å; R305-D339 IonicContact NE-OD1 3.9Å; R305-D339 IonicContact NH1-OD1 2.83Å; R305-D339 PolarHBondContact NH1-OD1 3.27Å; D339-K341 PolarHBondContact O-N 2.96Å; D339-S342 VanDerWaalsContact CB-OG 3.22Å; D339-S342 WeakPolarHBondContact CB-OG 3.49Å; D339-S342 VanDerWaalsContact CG-OG 3.26Å; D339-S342 WeakPolarHBondContact OD2-CB 3.47Å; D339-S342 PolarHBondContact OD2-N 3.28Å; D339-S342 PolarHBondContact OD2-OG 3.22Å; D339-K343 WeakPolarHBondContact O-CA 3.48Å; D339-K343 PolarHBondContact O-N 3.14Å; D339-E344 PolarHBondContact N-O 3.18Å; D339-F346 HydrophobicContact CB-CD2 3.78Å; D339-F346 HydrophobicContact CB-CE2 3.81Å
340	D	86.8	Confident	91	Very high	74 Å²	74	37.8 Å²	37.8	40%	0.396	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-47.2	-179.9	168.2	35.5	0	0	0	112.3	F303	F303-D340 HydrophobicContact CB-CB 4.25Å
341	K	89.1	Confident	90.5	Very high	192 Å²	192	39.1 Å²	39.1	84%	0.835	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-47.7	-175.9	-64.9	-172.4	176.9	-171.4	0	113.6	D339	D339-K341 PolarHBondContact O-N 2.96Å
342	S	90.9	Very high	89.8	Confident	35 Å²	35	43.1 Å²	43.1	25%	0.245	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-17.3	-177.2	54.5	0	0	0	0	113.4	D339 E344	D339-S342 VanDerWaalsContact CB-OG 3.22Å; D339-S342 WeakPolarHBondContact CB-OG 3.49Å; D339-S342 VanDerWaalsContact CG-OG 3.26Å; D339-S342 WeakPolarHBondContact OD2-CB 3.47Å; D339-S342 PolarHBondContact OD2-N 3.28Å; D339-S342 PolarHBondContact OD2-OG 3.22Å; S342-E344 PolarHBondContact O-N 2.72Å
343	K	90.5	Very high	89	Confident	68 Å²	68	43.3 Å²	43.3	30%	0.296	21%	0.208	S	C	.	.			trans	57.8	25.5	-170.3	-44.9	178	-158.9	-177.4	0	112.2	K292 L293 T296 D339	K292-K343 WeakPolarHBondContact CA-O 3.28Å; L293-K343 HydrophobicContact CB-CB 4.4Å; L293-K343 PolarHBondContact N-O 3.04Å; T296-K343 HydrophobicContact CG2-CD 3.89Å; D339-K343 WeakPolarHBondContact O-CA 3.48Å; D339-K343 PolarHBondContact O-N 3.14Å
344	E	93.9	Very high	88.5	Confident	54 Å²	54	47.2 Å²	47.2	25%	0.252	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-97.6	140.7	-177.8	-72.8	-177.5	171.5	0	0	111.7	E291 D339 S342 F346	E291-E344 CarbonylContact O-C 3.54Å; E291-E344 WeakPolarHBondContact O-CA 3.49Å; D339-E344 PolarHBondContact N-O 3.18Å; S342-E344 PolarHBondContact O-N 2.72Å; E344-F346 HydrophobicContact CB-CD2 4.3Å; E344-F346 HydrophobicContact CB-CE2 3.8Å; E344-F346 HydrophobicContact CB-CZ 4.49Å; E344-F346 WeakPolarHBondContact O-CD2 3.48Å; E344-F346 PolarHBondContact O-N 2.78Å
345	V	92.5	Very high	87.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-75.5	108.6	173.9	176	0	0	0	0	109.9	L287 K290 E291 L293 V338 V390 V400	L287-V345 HydrophobicContact CB-CG1 4.07Å; L287-V345 HydrophobicContact CD1-CG1 4.02Å; L287-V345 HydrophobicContact CD1-CG2 4.19Å; K290-V345 PolarHBondContact N-O 3.05Å; E291-V345 HydrophobicContact CB-CB 4.3Å; E291-V345 HydrophobicContact CB-CG2 4.2Å; E291-V345 WeakPolarHBondContact O-CG2 3.36Å; E291-V345 PolarHBondContact O-N 3.44Å; L293-V345 HydrophobicContact CD1-CG2 4.4Å; V338-V345 HydrophobicContact CG2-CG2 4.14Å; V345-V390 HydrophobicContact CG1-CG1 3.91Å; V345-V390 HydrophobicContact CG1-CG2 3.75Å; V345-V400 HydrophobicContact CG1-CG2 3.78Å
346	F	89.6	Confident	87.5	Confident	21 Å²	21	53.2 Å²	53.2	9%	0.092	26%	0.263	C	S	.	.			trans	-98	-31.3	170.3	-76.7	-85.3	0	0	0	112.2	Y289 K290 R305 G337 D339 E344 Y397	Y289-F346 HydrophobicContact CE2-CB 4.49Å; Y289-F346 AromaticContact CE2-CD1 3.67Å; Y289-F346 HydrophobicContact CE2-CD1 3.67Å; Y289-F346 HydrophobicContact CE2-CE1 4.35Å; Y289-F346 HydrophobicContact CE2-CG 4.45Å; Y289-F346 AromaticContact CZ-CD1 3.78Å; Y289-F346 WeakPolarHBondContact OH-CD1 3.27Å; K290-F346 HydrophobicContact CG-CE1 4.36Å; K290-F346 HydrophobicContact CG-CZ 4.48Å; R305-F346 VanDerWaalsContact CZ-CD2 3.46Å; R305-F346 VanDerWaalsContact NH2-CE1 3.32Å; G337-F346 PolarHBondContact O-N 2.75Å; D339-F346 HydrophobicContact CB-CD2 3.78Å; D339-F346 HydrophobicContact CB-CE2 3.81Å; E344-F346 HydrophobicContact CB-CD2 4.3Å; E344-F346 HydrophobicContact CB-CE2 3.8Å; E344-F346 HydrophobicContact CB-CZ 4.49Å; E344-F346 WeakPolarHBondContact O-CD2 3.48Å; E344-F346 PolarHBondContact O-N 2.78Å; F346-Y397 WeakPolarHBondContact O-CD1 3.08Å; F346-Y397 WeakPolarHBondContact O-CE1 3.08Å
347	G	88.1	Confident	87.2	Confident	12 Å²	12	56.1 Å²	56.1	12%	0.124	28%	0.283	C	S	.	.			trans	65.7	163.9	-171.2	0	0	0	0	0	113.9	G337 F399	G337-G347 PolarHBondContact O-N 3.06Å; G347-F399 CarbonylContact C-O 3.33Å; G347-F399 WeakPolarHBondContact CA-O 3.33Å
348	C	86.7	Confident	87	Confident	4 Å²	4	56.3 Å²	56.3	3%	0.027	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.8	164.5	-65.4	0	0	0	0	108.7	I311 K350 V353 G398 F399	I311-C348 HydrophobicContact CD1-CB 4.34Å; C348-K350 PolarHBondContact O-N 3.33Å; C348-V353 HydrophobicContact CB-CB 4.22Å; C348-V353 HydrophobicContact CB-CG2 3.91Å; C348-G398 CarbonylContact O-C 3.6Å; C348-G398 WeakPolarHBondContact O-CA 3.41Å; C348-F399 WeakPolarHBondContact CB-O 3.33Å; C348-F399 PolarHBondContact N-O 3.16Å; C348-F399 PolarHBondContact O-N 3.17Å
349	M	86.1	Confident	86.9	Confident	67 Å²	67	60 Å²	60	33%	0.33	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	130.8	178.7	-70.9	170	170	0	0	111.2	E351 K352 V353 Y397	M349-E351 PolarHBondContact O-N 3.29Å; M349-E351 VanDerWaalsContact O-N 3.16Å; M349-K352 HydrophobicContact CB-CB 4.39Å; M349-K352 HydrophobicContact CB-CD 4.24Å; M349-K352 HydrophobicContact CB-CG 4.27Å; M349-K352 PolarHBondContact O-N 2.99Å; M349-K352 HydrophobicContact SD-CD 3.99Å; M349-K352 PolarHBondContact SD-NZ 3.32Å; M349-V353 PolarHBondContact O-N 3.44Å; M349-Y397 VanDerWaalsContact CE-OH 3.31Å; M349-Y397 WeakPolarHBondContact CE-OH 3.33Å; M349-Y397 HydrophobicContact CG-CE1 4.31Å
350	K	83.6	Confident	86.8	Confident	93 Å²	93	62.3 Å²	62.3	40%	0.404	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.7	-176	66.5	-177.7	177.9	-170.3	0	113.5	C348 K352 L396 Y397 F399	C348-K350 PolarHBondContact O-N 3.33Å; K350-K352 VanDerWaalsContact C-N 3.28Å; K350-K352 PolarHBondContact O-N 2.99Å; K350-L396 HydrophobicContact CD-CG 4.45Å; K350-L396 WeakPolarHBondContact CD-O 3.47Å; K350-L396 WeakPolarHBondContact CE-O 3.38Å; K350-L396 PolarHBondContact NZ-O 2.89Å; K350-Y397 PolarHBondContact N-O 2.84Å; K350-F399 HydrophobicContact CB-CD2 4.29Å; K350-F399 HydrophobicContact CB-CE2 3.6Å; K350-F399 HydrophobicContact CB-CZ 4.32Å
351	E	81.3	Confident	86.9	Confident	141 Å²	141	60.5 Å²	60.5	66%	0.659	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.5	178.3	-52.7	76.9	-162.7	0	0	112.6	M349	M349-E351 PolarHBondContact O-N 3.29Å; M349-E351 VanDerWaalsContact O-N 3.16Å
352	K	78.8	Confident	87	Confident	87 Å²	87	51.3 Å²	51.3	38%	0.378	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-18.6	-175.1	-67.4	-178	-178.7	166	0	113.6	K309 M349 K350	K309-K352 HydrophobicContact CG-CD 4.34Å; M349-K352 HydrophobicContact CB-CB 4.39Å; M349-K352 HydrophobicContact CB-CD 4.24Å; M349-K352 HydrophobicContact CB-CG 4.27Å; M349-K352 PolarHBondContact O-N 2.99Å; M349-K352 HydrophobicContact SD-CD 3.99Å; M349-K352 PolarHBondContact SD-NZ 3.32Å; K350-K352 VanDerWaalsContact C-N 3.28Å; K350-K352 PolarHBondContact O-N 2.99Å
353	V	79.4	Confident	87.2	Confident	10 Å²	10	54.5 Å²	54.5	6%	0.061	27%	0.274	C	S	.	.			trans	-139.5	122.3	-173.4	179.8	0	0	0	0	109.9	I311 C348 M349 P355 L358	I311-V353 HydrophobicContact CB-CG2 4.22Å; I311-V353 HydrophobicContact CD1-CG2 3.32Å; I311-V353 HydrophobicContact CG1-CG2 4.29Å; I311-V353 HydrophobicContact CG2-CG2 4.24Å; C348-V353 HydrophobicContact CB-CB 4.22Å; C348-V353 HydrophobicContact CB-CG2 3.91Å; M349-V353 PolarHBondContact O-N 3.44Å; V353-P355 WeakPolarHBondContact O-CD 3.41Å; V353-L358 HydrophobicContact CG1-CB 3.99Å; V353-L358 HydrophobicContact CG1-CD2 3.93Å; V353-L358 HydrophobicContact CG1-CG 4.44Å
354	N	85.4	Confident	87.2	Confident	96 Å²	96	54.2 Å²	54.2	51%	0.513	28%	0.276	S	S	.	.			trans	-81	119.2	163.4	177.3	-26	0	0	0	108.7	D356 S357 L358	N354-D356 PolarHBondContact O-N 3.36Å; N354-D356 PolarHBondContact OD1-N 3.15Å; N354-S357 PolarHBondContact O-N 2.82Å; N354-S357 PolarHBondContact OD1-N 2.92Å; N354-L358 WeakPolarHBondContact O-CB 3.46Å; N354-L358 PolarHBondContact O-N 3.47Å
355	P	83.7	Confident	87.1	Confident	22 Å²	22	52.8 Å²	52.8	14%	0.143	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-40.6	-179.4	-28.1	37	0	0	0	115.4	V353 L358 K359 I387 F399	V353-P355 WeakPolarHBondContact O-CD 3.41Å; P355-L358 WeakPolarHBondContact O-CB 3.48Å; P355-L358 PolarHBondContact O-N 3.02Å; P355-K359 PolarHBondContact O-N 3.46Å; P355-I387 HydrophobicContact CB-CD1 4.35Å; P355-I387 HydrophobicContact CB-CG1 4.2Å; P355-I387 HydrophobicContact CB-CG2 4.09Å; P355-F399 HydrophobicContact CG-CD1 3.81Å; P355-F399 HydrophobicContact CG-CD2 3.5Å; P355-F399 HydrophobicContact CG-CE1 3.74Å; P355-F399 HydrophobicContact CG-CE2 3.41Å; P355-F399 VanDerWaalsContact CG-CE2 3.41Å; P355-F399 HydrophobicContact CG-CG 3.69Å; P355-F399 HydrophobicContact CG-CZ 3.53Å
356	D	86.4	Confident	87.2	Confident	108 Å²	108	53 Å²	53	58%	0.578	27%	0.272	S	S	*	.	H	α-helix	trans	-74.2	-38.3	-175.7	-62.4	-39.6	0	0	0	110.7	N354 L358 K359 T360	N354-D356 PolarHBondContact O-N 3.36Å; N354-D356 PolarHBondContact OD1-N 3.15Å; D356-L358 VanDerWaalsContact C-N 3.3Å; D356-L358 PolarHBondContact O-N 3.07Å; D356-K359 PolarHBondContact O-N 2.91Å; D356-T360 WeakPolarHBondContact O-CB 3.49Å; D356-T360 PolarHBondContact O-N 3.47Å; D356-T360 PolarHBondContact O-OG1 3.41Å
357	S	85.5	Confident	87.4	Confident	64 Å²	64	56.5 Å²	56.5	45%	0.448	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-41.4	169.8	178.8	0	0	0	0	111.3	N354 T360 E361	N354-S357 PolarHBondContact O-N 2.82Å; N354-S357 PolarHBondContact OD1-N 2.92Å; S357-T360 PolarHBondContact O-N 3.34Å; S357-E361 WeakPolarHBondContact O-CB 3.38Å; S357-E361 PolarHBondContact O-N 2.85Å
358	L	86.5	Confident	87.6	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-46.8	177.3	179.1	63.5	0	0	0	112.2	I315 V353 N354 P355 D356 T360 E361 I362 I387 C401	I315-L358 HydrophobicContact CD1-CD1 3.43Å; I315-L358 VanDerWaalsContact CD1-CD1 3.43Å; V353-L358 HydrophobicContact CG1-CB 3.99Å; V353-L358 HydrophobicContact CG1-CD2 3.93Å; V353-L358 HydrophobicContact CG1-CG 4.44Å; N354-L358 WeakPolarHBondContact O-CB 3.46Å; N354-L358 PolarHBondContact O-N 3.47Å; P355-L358 WeakPolarHBondContact O-CB 3.48Å; P355-L358 PolarHBondContact O-N 3.02Å; D356-L358 VanDerWaalsContact C-N 3.3Å; D356-L358 PolarHBondContact O-N 3.07Å; L358-T360 VanDerWaalsContact C-N 3.3Å; L358-T360 PolarHBondContact O-N 3.49Å; L358-E361 PolarHBondContact O-N 3.34Å; L358-I362 HydrophobicContact CD1-CD1 4.11Å; L358-I362 HydrophobicContact CD1-CG1 4.38Å; L358-I362 HydrophobicContact CG-CD1 3.96Å; L358-I362 WeakPolarHBondContact O-CG1 3.38Å; L358-I362 PolarHBondContact O-N 3.36Å; L358-I387 HydrophobicContact CD2-CD1 4.35Å; L358-C401 HydrophobicContact CD2-CB 3.77Å
359	K	89.3	Confident	88	Confident	77 Å²	77	64.6 Å²	64.6	34%	0.335	32%	0.321	S	S	.	.	H	α-helix	trans	-57.8	-44.8	175.2	-76.9	-172.4	177.5	-176.5	0	111.5	P355 D356 E361 I362 K363 T385 I387	P355-K359 PolarHBondContact O-N 3.46Å; D356-K359 PolarHBondContact O-N 2.91Å; K359-E361 VanDerWaalsContact C-N 3.34Å; K359-E361 PolarHBondContact O-N 2.7Å; K359-I362 PolarHBondContact O-N 2.82Å; K359-K363 WeakPolarHBondContact O-CB 3.2Å; K359-K363 PolarHBondContact O-N 2.82Å; K359-T385 HydrophobicContact CG-CG2 3.89Å; K359-I387 HydrophobicContact CD-CG1 4.14Å; K359-I387 HydrophobicContact CG-CD1 4.34Å; K359-I387 HydrophobicContact CG-CG1 3.93Å
360	T	89.5	Confident	88.5	Confident	78 Å²	78	62.8 Å²	62.8	48%	0.479	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-42.9	179.6	-56.1	0	0	0	0	111	D356 S357 L358 K363 N364	D356-T360 WeakPolarHBondContact O-CB 3.49Å; D356-T360 PolarHBondContact O-N 3.47Å; D356-T360 PolarHBondContact O-OG1 3.41Å; S357-T360 PolarHBondContact O-N 3.34Å; L358-T360 VanDerWaalsContact C-N 3.3Å; L358-T360 PolarHBondContact O-N 3.49Å; T360-K363 PolarHBondContact O-N 2.76Å; T360-N364 WeakPolarHBondContact O-CB 3.34Å; T360-N364 PolarHBondContact O-N 3.46Å; T360-N364 PolarHBondContact O-ND2 3.32Å; T360-N364 PolarHBondContact O-OD1 3.32Å
361	E	88	Confident	89.1	Confident	36 Å²	36	60.9 Å²	60.9	17%	0.168	31%	0.311	C	S	.	.	H	α-helix	trans	-66.9	-41.6	177.8	-170	67.2	-113.6	0	0	112.7	V312 K316 S357 L358 K359 K363 N364 C365	V312-E361 HydrophobicContact CG1-CG 4.01Å; K316-E361 WeakPolarHBondContact CE-OE1 3.44Å; K316-E361 WeakPolarHBondContact CE-OE2 3.46Å; K316-E361 IonicContact NZ-OE1 2.69Å; K316-E361 PolarHBondContact NZ-OE1 3.26Å; K316-E361 VanDerWaalsContact NZ-OE1 3.1Å; K316-E361 IonicContact NZ-OE2 2.89Å; K316-E361 PolarHBondContact NZ-OE2 3.15Å; S357-E361 WeakPolarHBondContact O-CB 3.38Å; S357-E361 PolarHBondContact O-N 2.85Å; L358-E361 PolarHBondContact O-N 3.34Å; K359-E361 VanDerWaalsContact C-N 3.34Å; K359-E361 PolarHBondContact O-N 2.7Å; E361-K363 VanDerWaalsContact C-N 3.33Å; E361-K363 PolarHBondContact O-N 3.17Å; E361-N364 PolarHBondContact O-N 3.42Å; E361-C365 WeakPolarHBondContact O-CB 3.38Å; E361-C365 PolarHBondContact O-N 3.19Å; E361-C365 PolarHBondContact O-SG 2.86Å
362	I	92.1	Very high	89.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-47.9	174.7	-72.2	167.4	0	0	0	110	I315 L319 L358 K359 N364 C365 I366 F383 T385 C401 V403	I315-I362 HydrophobicContact CG2-CG1 4.22Å; L319-I362 HydrophobicContact CD2-CB 4.21Å; L319-I362 HydrophobicContact CD2-CG1 4.1Å; L319-I362 HydrophobicContact CD2-CG2 4Å; L358-I362 HydrophobicContact CD1-CD1 4.11Å; L358-I362 HydrophobicContact CD1-CG1 4.38Å; L358-I362 HydrophobicContact CG-CD1 3.96Å; L358-I362 WeakPolarHBondContact O-CG1 3.38Å; L358-I362 PolarHBondContact O-N 3.36Å; K359-I362 PolarHBondContact O-N 2.82Å; I362-N364 PolarHBondContact O-N 2.95Å; I362-C365 PolarHBondContact O-N 3.14Å; I362-I366 HydrophobicContact CG2-CD1 3.88Å; I362-I366 WeakPolarHBondContact O-CG1 3.28Å; I362-I366 PolarHBondContact O-N 3.28Å; I362-F383 HydrophobicContact CG2-CE2 4.44Å; I362-T385 HydrophobicContact CD1-CG2 4.21Å; I362-C401 WeakPolarHBondContact CD1-SG 2.91Å; I362-V403 HydrophobicContact CD1-CG2 3.93Å; I362-V403 HydrophobicContact CG2-CG1 4.29Å; I362-V403 HydrophobicContact CG2-CG2 3.87Å
363	K	93.7	Very high	90.6	Very high	102 Å²	102	53.7 Å²	53.7	44%	0.443	28%	0.277	S	S	.	.	H	α-helix	trans	-57	-50.1	176	174.1	174.9	-177.9	-175.1	0	111.6	K359 T360 E361 C365 I366 E367 F383	K359-K363 WeakPolarHBondContact O-CB 3.2Å; K359-K363 PolarHBondContact O-N 2.82Å; T360-K363 PolarHBondContact O-N 2.76Å; E361-K363 VanDerWaalsContact C-N 3.33Å; E361-K363 PolarHBondContact O-N 3.17Å; K363-C365 VanDerWaalsContact C-N 3.25Å; K363-C365 PolarHBondContact O-N 3.36Å; K363-I366 PolarHBondContact O-N 3.15Å; K363-E367 VanDerWaalsContact CE-CD 3.41Å; K363-E367 WeakPolarHBondContact CE-OE1 3.41Å; K363-E367 WeakPolarHBondContact CE-OE2 3.38Å; K363-E367 HydrophobicContact CG-CG 4.21Å; K363-E367 IonicContact NZ-OE1 2.68Å; K363-E367 WeakPolarHBondContact O-CB 3.47Å; K363-E367 WeakPolarHBondContact O-CG 3.31Å; K363-E367 PolarHBondContact O-N 2.99Å; K363-F383 HydrophobicContact CB-CE2 4.34Å; K363-F383 HydrophobicContact CB-CZ 3.97Å; K363-F383 HydrophobicContact CG-CZ 4.03Å
364	N	91.9	Very high	91.2	Very high	61 Å²	61	55.2 Å²	55.2	33%	0.326	28%	0.283	S	S	.	.	H	α-helix	trans	-61.3	-32.6	179	-70.4	-16.3	0	0	0	113.2	T360 E361 I362 K368	T360-N364 WeakPolarHBondContact O-CB 3.34Å; T360-N364 PolarHBondContact O-N 3.46Å; T360-N364 PolarHBondContact O-ND2 3.32Å; T360-N364 PolarHBondContact O-OD1 3.32Å; E361-N364 PolarHBondContact O-N 3.42Å; I362-N364 PolarHBondContact O-N 2.95Å; N364-K368 VanDerWaalsContact O-CD 3.27Å; N364-K368 WeakPolarHBondContact O-CD 3.46Å; N364-K368 VanDerWaalsContact O-CG 3.23Å; N364-K368 WeakPolarHBondContact O-CG 3.48Å
365	C	91.6	Very high	91.3	Very high	25 Å²	25	52 Å²	52	17%	0.169	27%	0.268	C	S	.	.	H	α-helix	trans	-71.3	-44	176.2	-69.1	0	0	0	0	111.4	L319 E361 I362 K363	L319-C365 HydrophobicContact CD2-CB 3.79Å; E361-C365 WeakPolarHBondContact O-CB 3.38Å; E361-C365 PolarHBondContact O-N 3.19Å; E361-C365 PolarHBondContact O-SG 2.86Å; I362-C365 PolarHBondContact O-N 3.14Å; K363-C365 VanDerWaalsContact C-N 3.25Å; K363-C365 PolarHBondContact O-N 3.36Å
366	I	95	Very high	91.3	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.015	31%	0.306	C	S	.	.	H	α-helix	trans	-72.7	-40.5	-176.7	-64.2	173.4	0	0	0	111.5	L319 V323 I362 K363 K368 L369 V381 F383 V403	L319-I366 HydrophobicContact CD2-CG1 4.24Å; V323-I366 HydrophobicContact CG1-CD1 4.49Å; V323-I366 HydrophobicContact CG1-CG1 4.22Å; V323-I366 HydrophobicContact CG1-CG2 4.09Å; V323-I366 HydrophobicContact CG2-CD1 3.84Å; V323-I366 HydrophobicContact CG2-CG1 3.85Å; I362-I366 HydrophobicContact CG2-CD1 3.88Å; I362-I366 WeakPolarHBondContact O-CG1 3.28Å; I362-I366 PolarHBondContact O-N 3.28Å; K363-I366 PolarHBondContact O-N 3.15Å; I366-K368 PolarHBondContact O-N 3.11Å; I366-K368 VanDerWaalsContact O-N 3.16Å; I366-L369 HydrophobicContact CG2-CD1 4.43Å; I366-L369 WeakPolarHBondContact O-CB 3.18Å; I366-L369 WeakPolarHBondContact O-CG 3.43Å; I366-L369 PolarHBondContact O-N 3.24Å; I366-L369 VanDerWaalsContact O-N 3.17Å; I366-V381 HydrophobicContact CG2-CB 4.09Å; I366-V381 HydrophobicContact CG2-CG1 4Å; I366-F383 HydrophobicContact CB-CD1 4.15Å; I366-F383 HydrophobicContact CB-CE1 3.88Å; I366-F383 HydrophobicContact CB-CZ 4.18Å; I366-F383 HydrophobicContact CD1-CB 4.31Å; I366-F383 HydrophobicContact CD1-CD1 4.03Å; I366-F383 HydrophobicContact CD1-CD2 3.59Å; I366-F383 HydrophobicContact CD1-CE1 4.28Å; I366-F383 HydrophobicContact CD1-CE2 3.87Å; I366-F383 HydrophobicContact CD1-CG 3.69Å; I366-F383 HydrophobicContact CD1-CZ 4.22Å; I366-F383 HydrophobicContact CG2-CD1 3.5Å; I366-F383 VanDerWaalsContact CG2-CD1 3.5Å; I366-F383 HydrophobicContact CG2-CE1 3.58Å; I366-F383 HydrophobicContact CG2-CG 4.22Å; I366-F383 HydrophobicContact CG2-CZ 4.37Å; I366-V403 HydrophobicContact CD1-CG1 4.08Å
367	E	92.6	Very high	91.1	Very high	95 Å²	95	65.7 Å²	65.7	44%	0.444	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.1	-180	-72.5	-177.3	155.8	0	0	113.6	K363	K363-E367 VanDerWaalsContact CE-CD 3.41Å; K363-E367 WeakPolarHBondContact CE-OE1 3.41Å; K363-E367 WeakPolarHBondContact CE-OE2 3.38Å; K363-E367 HydrophobicContact CG-CG 4.21Å; K363-E367 IonicContact NZ-OE1 2.68Å; K363-E367 WeakPolarHBondContact O-CB 3.47Å; K363-E367 WeakPolarHBondContact O-CG 3.31Å; K363-E367 PolarHBondContact O-N 2.99Å
368	K	92.3	Very high	91.2	Very high	167 Å²	167	69.6 Å²	69.6	73%	0.726	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-5	177.9	-70.8	176.1	-173.1	178.2	0	113.9	N364 I366	N364-K368 VanDerWaalsContact O-CD 3.27Å; N364-K368 WeakPolarHBondContact O-CD 3.46Å; N364-K368 VanDerWaalsContact O-CG 3.23Å; N364-K368 WeakPolarHBondContact O-CG 3.48Å; I366-K368 PolarHBondContact O-N 3.11Å; I366-K368 VanDerWaalsContact O-N 3.16Å
369	L	96.1	Very high	91.3	Very high	19 Å²	19	71.4 Å²	71.4	10%	0.099	34%	0.336	C	S	.	.	S	Bend	trans	-67.8	132.9	-177.7	-63.7	-179.3	0	0	0	110.6	A320 V323 I366 T371 V412 A414	A320-L369 HydrophobicContact CB-CD2 3.6Å; V323-L369 HydrophobicContact CB-CD1 3.9Å; V323-L369 HydrophobicContact CG1-CD1 3.51Å; I366-L369 HydrophobicContact CG2-CD1 4.43Å; I366-L369 WeakPolarHBondContact O-CB 3.18Å; I366-L369 WeakPolarHBondContact O-CG 3.43Å; I366-L369 PolarHBondContact O-N 3.24Å; I366-L369 VanDerWaalsContact O-N 3.17Å; L369-T371 PolarHBondContact O-N 2.71Å; L369-V412 HydrophobicContact CB-CG1 4.13Å; L369-V412 HydrophobicContact CD1-CG1 4.11Å; L369-A414 VanDerWaalsContact CD2-O 3.28Å; L369-A414 WeakPolarHBondContact CD2-O 3.12Å
370	P	96.9	Very high	91.4	Very high	30 Å²	30	77 Å²	77	20%	0.195	36%	0.355	C	S	.	.			trans	-66.7	134.5	175.8	-14.3	27.2	0	0	0	110.8	F413 A432	P370-F413 HydrophobicContact CB-CB 4.08Å; P370-F413 HydrophobicContact CG-CB 4.23Å; P370-F413 PolarHBondContact O-N 2.87Å; P370-A432 HydrophobicContact CB-CB 3.82Å
371	T	96.1	Very high	91.6	Very high	52 Å²	52	74 Å²	74	32%	0.319	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.5	173.4	62	0	0	0	0	110.4	L369 H373 V381 F408 V411 V412	L369-T371 PolarHBondContact O-N 2.71Å; T371-H373 PolarHBondContact OG1-NE2 3.2Å; T371-V381 HydrophobicContact CG2-CG2 3.79Å; T371-F408 HydrophobicContact CG2-CE1 4.12Å; T371-F408 HydrophobicContact CG2-CZ 3.8Å; T371-V411 WeakPolarHBondContact CA-O 3.41Å; T371-V412 HydrophobicContact CG2-CG1 4.41Å; T371-V412 HydrophobicContact CG2-CG2 4.17Å
372	Y	96.4	Very high	91.9	Very high	41 Å²	41	76.4 Å²	76.4	16%	0.161	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.9	168.8	-172.2	-88.8	0	0	0	109	F374 C410 V411 Q433 V436 E437	Y372-F374 HydrophobicContact CD1-CD2 4.34Å; Y372-F374 HydrophobicContact CD1-CE1 4.15Å; Y372-F374 AromaticContact CD1-CE2 3.95Å; Y372-F374 HydrophobicContact CD1-CE2 3.95Å; Y372-F374 AromaticContact CD1-CZ 3.86Å; Y372-F374 HydrophobicContact CD1-CZ 3.86Å; Y372-F374 AromaticContact CE1-CD1 3.94Å; Y372-F374 HydrophobicContact CE1-CD1 3.94Å; Y372-F374 AromaticContact CE1-CE1 3.59Å; Y372-F374 HydrophobicContact CE1-CE1 3.59Å; Y372-F374 HydrophobicContact CE1-CE2 4.24Å; Y372-F374 HydrophobicContact CE1-CG 4.42Å; Y372-F374 AromaticContact CE1-CZ 3.75Å; Y372-F374 HydrophobicContact CE1-CZ 3.75Å; Y372-C410 WeakPolarHBondContact O-CB 3.4Å; Y372-V411 PolarHBondContact N-O 3.21Å; Y372-V411 PolarHBondContact O-N 2.89Å; Y372-Q433 HydrophobicContact CD2-CB 4.45Å; Y372-Q433 HydrophobicContact CD2-CG 4.36Å; Y372-Q433 HydrophobicContact CE2-CG 4.06Å; Y372-V436 HydrophobicContact CD1-CB 4.29Å; Y372-V436 HydrophobicContact CD1-CG1 3.62Å; Y372-V436 HydrophobicContact CD1-CG2 4.42Å; Y372-V436 HydrophobicContact CD2-CB 3.71Å; Y372-V436 HydrophobicContact CD2-CG1 3.89Å; Y372-V436 HydrophobicContact CD2-CG2 3.99Å; Y372-V436 HydrophobicContact CE1-CB 4.34Å; Y372-V436 HydrophobicContact CE1-CG1 3.44Å; Y372-V436 VanDerWaalsContact CE1-CG1 3.44Å; Y372-V436 HydrophobicContact CE2-CB 3.74Å; Y372-V436 HydrophobicContact CE2-CG1 3.69Å; Y372-V436 HydrophobicContact CG-CB 3.97Å; Y372-V436 HydrophobicContact CG-CG1 3.82Å; Y372-V436 HydrophobicContact CG-CG2 3.91Å; Y372-V436 VanDerWaalsContact CZ-CG1 3.46Å; Y372-E437 HydrophobicContact CE2-CG 4.46Å
373	H	94.3	Very high	92.1	Very high	37 Å²	37	78.5 Å²	78.5	17%	0.171	36%	0.36	C	S	.	.			trans	-116.2	121.4	-174.2	-73.5	-74.5	0	0	0	112.2	T371 C375 K378 P379 F408	T371-H373 PolarHBondContact OG1-NE2 3.2Å; H373-C375 PolarHBondContact ND1-SG 3.46Å; H373-C375 VanDerWaalsContact ND1-SG 3.43Å; H373-K378 HydrophobicContact CB-CB 4.46Å; H373-K378 HydrophobicContact CB-CG 3.84Å; H373-P379 PolarHBondContact CE1-O 3.16Å; H373-P379 PolarHBondContact NE2-O 2.9Å; H373-F408 AromaticContact CE1-CE1 3.92Å; H373-F408 AromaticContact CE1-CZ 3.21Å; H373-F408 WeakPolarHBondContact CE1-CZ 3.37Å; H373-F408 AromaticContact NE2-CZ 3.79Å
374	F	92	Very high	92.2	Very high	41 Å²	41	76.9 Å²	76.9	18%	0.18	36%	0.359	C	S	.	.	S	Bend	trans	-84.9	-26.9	163.2	-59.1	-78.2	0	0	0	111.6	L243 K246 E247 A250 Y372 C410 V411 V436 L440	L243-F374 HydrophobicContact CB-CZ 4.43Å; L243-F374 HydrophobicContact CD2-CE2 4.3Å; L243-F374 HydrophobicContact CD2-CZ 4.05Å; L243-F374 WeakPolarHBondContact O-CZ 3.28Å; K246-F374 HydrophobicContact CB-CD2 3.92Å; K246-F374 HydrophobicContact CB-CE2 3.77Å; E247-F374 HydrophobicContact CB-CD1 3.8Å; E247-F374 HydrophobicContact CB-CE1 3.68Å; E247-F374 HydrophobicContact CB-CG 4.33Å; E247-F374 HydrophobicContact CB-CZ 4.14Å; E247-F374 HydrophobicContact CG-CD1 3.97Å; E247-F374 HydrophobicContact CG-CE1 4.06Å; A250-F374 HydrophobicContact CB-CB 3.48Å; A250-F374 VanDerWaalsContact CB-CB 3.48Å; Y372-F374 HydrophobicContact CD1-CD2 4.34Å; Y372-F374 HydrophobicContact CD1-CE1 4.15Å; Y372-F374 AromaticContact CD1-CE2 3.95Å; Y372-F374 HydrophobicContact CD1-CE2 3.95Å; Y372-F374 AromaticContact CD1-CZ 3.86Å; Y372-F374 HydrophobicContact CD1-CZ 3.86Å; Y372-F374 AromaticContact CE1-CD1 3.94Å; Y372-F374 HydrophobicContact CE1-CD1 3.94Å; Y372-F374 AromaticContact CE1-CE1 3.59Å; Y372-F374 HydrophobicContact CE1-CE1 3.59Å; Y372-F374 HydrophobicContact CE1-CE2 4.24Å; Y372-F374 HydrophobicContact CE1-CG 4.42Å; Y372-F374 AromaticContact CE1-CZ 3.75Å; Y372-F374 HydrophobicContact CE1-CZ 3.75Å; F374-C410 HydrophobicContact CD2-CB 4.22Å; F374-C410 PolarHBondContact N-SG 3.41Å; F374-V411 HydrophobicContact CE2-CG2 4.45Å; F374-V436 HydrophobicContact CZ-CG1 4.47Å; F374-L440 HydrophobicContact CE1-CD1 3.43Å; F374-L440 VanDerWaalsContact CE1-CD1 3.43Å; F374-L440 HydrophobicContact CZ-CD1 3.73Å
375	C	87.4	Confident	92.3	Very high	29 Å²	29	75.1 Å²	75.1	20%	0.196	35%	0.35	C	S	.	.	S	Bend	trans	-77.9	150.8	177.9	64.6	0	0	0	0	112.2	H373 P379 C410	H373-C375 PolarHBondContact ND1-SG 3.46Å; H373-C375 VanDerWaalsContact ND1-SG 3.43Å; C375-P379 VanDerWaalsContact SG-CD 3.53Å; C375-C410 PolarHBondContact SG-SG 2.88Å
376	R	83.3	Confident	92.4	Very high	251 Å²	251	76.3 Å²	76.3	95%	0.947	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-33.7	178.5	-64.8	-176.8	179.4	175.1	0	113.7	K378	R376-K378 VanDerWaalsContact C-N 3.29Å; R376-K378 PolarHBondContact O-N 2.73Å
377	E	82.7	Confident	92.3	Very high	166 Å²	166	77.7 Å²	77.7	78%	0.776	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.5	-172.3	-65.3	175.5	-175.1	0	0	114.1
378	K	87.7	Confident	92.3	Very high	146 Å²	146	73.1 Å²	73.1	64%	0.635	34%	0.339	S	S	*	.			trans	45	55.4	-179.6	-59.4	-175.5	178.7	-178.4	0	113.9	H373 R376	H373-K378 HydrophobicContact CB-CB 4.46Å; H373-K378 HydrophobicContact CB-CG 3.84Å; R376-K378 VanDerWaalsContact C-N 3.29Å; R376-K378 PolarHBondContact O-N 2.73Å
379	P	88.3	Confident	92.4	Very high	43 Å²	43	70 Å²	70	28%	0.279	33%	0.325	S	S	.	.			trans	-65.3	153.7	-177.4	29.2	-36.2	0	0	0	112.1	H373 C375 F408	H373-P379 PolarHBondContact CE1-O 3.16Å; H373-P379 PolarHBondContact NE2-O 2.9Å; C375-P379 VanDerWaalsContact SG-CD 3.53Å; P379-F408 HydrophobicContact CG-CE2 4.48Å; P379-F408 WeakPolarHBondContact O-CE2 3.46Å
380	R	92.2	Very high	92.2	Very high	194 Å²	194	69.1 Å²	69.1	73%	0.732	32%	0.32	S	S	*	.			trans	-76.3	164.6	172	-63.7	-176.3	-177	179.3	1.8	110.7	N382	R380-N382 PolarHBondContact O-N 2.78Å
381	V	93.4	Very high	92.1	Very high	15 Å²	15	70.1 Å²	70.1	9%	0.091	32%	0.321	C	S	.	.			trans	-65.3	115.3	171.6	-176.3	0	0	0	0	108.5	V323 I366 T371 F383 F408 V412	V323-V381 HydrophobicContact CG1-CG1 4.09Å; I366-V381 HydrophobicContact CG2-CB 4.09Å; I366-V381 HydrophobicContact CG2-CG1 4Å; T371-V381 HydrophobicContact CG2-CG2 3.79Å; V381-F383 WeakPolarHBondContact O-CD1 3.31Å; V381-F408 HydrophobicContact CG2-CD2 4.43Å; V381-F408 HydrophobicContact CG2-CE2 4.2Å; V381-V412 HydrophobicContact CG2-CG1 3.96Å; V381-V412 HydrophobicContact CG2-CG2 3.72Å
382	N	94.8	Very high	92	Very high	88 Å²	88	71.4 Å²	71.4	47%	0.471	32%	0.323	S	S	.	.			trans	-81.3	130.3	178.4	-74.4	-12.1	0	0	0	110.8	R380 E406	R380-N382 PolarHBondContact O-N 2.78Å; N382-E406 HydrophobicContact CB-CB 4Å; N382-E406 HydrophobicContact CB-CG 4.22Å; N382-E406 VanDerWaalsContact CB-OE2 3.25Å; N382-E406 WeakPolarHBondContact CB-OE2 3.19Å; N382-E406 PolarHBondContact ND2-OE2 3.38Å; N382-E406 VanDerWaalsContact ND2-OE2 3.08Å; N382-E406 PolarHBondContact O-N 3Å; N382-E406 VanDerWaalsContact O-N 3.1Å
383	F	95.9	Very high	91.7	Very high	44 Å²	44	80.9 Å²	80.9	19%	0.193	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	152.1	175.1	68.9	-78.6	0	0	0	111	I362 K363 I366 V381 V403 Q404	I362-F383 HydrophobicContact CG2-CE2 4.44Å; K363-F383 HydrophobicContact CB-CE2 4.34Å; K363-F383 HydrophobicContact CB-CZ 3.97Å; K363-F383 HydrophobicContact CG-CZ 4.03Å; I366-F383 HydrophobicContact CB-CD1 4.15Å; I366-F383 HydrophobicContact CB-CE1 3.88Å; I366-F383 HydrophobicContact CB-CZ 4.18Å; I366-F383 HydrophobicContact CD1-CB 4.31Å; I366-F383 HydrophobicContact CD1-CD1 4.03Å; I366-F383 HydrophobicContact CD1-CD2 3.59Å; I366-F383 HydrophobicContact CD1-CE1 4.28Å; I366-F383 HydrophobicContact CD1-CE2 3.87Å; I366-F383 HydrophobicContact CD1-CG 3.69Å; I366-F383 HydrophobicContact CD1-CZ 4.22Å; I366-F383 HydrophobicContact CG2-CD1 3.5Å; I366-F383 VanDerWaalsContact CG2-CD1 3.5Å; I366-F383 HydrophobicContact CG2-CE1 3.58Å; I366-F383 HydrophobicContact CG2-CG 4.22Å; I366-F383 HydrophobicContact CG2-CZ 4.37Å; V381-F383 WeakPolarHBondContact O-CD1 3.31Å; F383-V403 HydrophobicContact CD2-CG1 4.34Å; F383-Q404 CarbonylContact C-O 3.09Å; F383-Q404 WeakPolarHBondContact CA-O 3.14Å; F383-Q404 VanDerWaalsContact CB-O 3.28Å; F383-Q404 WeakPolarHBondContact CB-O 3.33Å
384	T	95.9	Very high	91.3	Very high	67 Å²	67	88 Å²	88	41%	0.411	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.8	173.2	-57.1	0	0	0	0	109.7	F282 Q404	F282-T384 HydrophobicContact CZ-CG2 3.77Å; T384-Q404 PolarHBondContact N-O 3.49Å; T384-Q404 PolarHBondContact O-N 3.12Å
385	T	94.1	Very high	91.3	Very high	24 Å²	24	88.8 Å²	88.8	15%	0.147	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.6	177.5	-52.5	0	0	0	0	111.1	K359 I362 C401 V402 V403	K359-T385 HydrophobicContact CG-CG2 3.89Å; I362-T385 HydrophobicContact CD1-CG2 4.21Å; T385-C401 WeakPolarHBondContact CG2-SG 3.4Å; T385-V402 CarbonylContact C-O 3.58Å; T385-V402 WeakPolarHBondContact CA-O 3.34Å; T385-V403 HydrophobicContact CG2-CG2 4.27Å
386	K	93.5	Very high	91.4	Very high	51 Å²	51	89.9 Å²	89.9	22%	0.222	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	138.7	176.1	-165.3	177.4	-175.8	-175.3	0	110.7	F282 K283 K284 D285 L388 V402	F282-K386 HydrophobicContact CD2-CB 4.15Å; F282-K386 HydrophobicContact CE2-CB 3.51Å; F282-K386 HydrophobicContact CE2-CD 4.48Å; F282-K386 HydrophobicContact CZ-CB 3.92Å; F282-K386 WeakPolarHBondContact O-CD 3.02Å; F282-K386 PolarHBondContact O-NZ 3.43Å; K283-K386 PolarHBondContact O-NZ 3.2Å; K284-K386 WeakPolarHBondContact O-CE 3.43Å; K284-K386 PolarHBondContact O-NZ 2.78Å; D285-K386 IonicContact OD1-NZ 3.79Å; D285-K386 PolarHBondContact OD1-NZ 3.49Å; K386-L388 HydrophobicContact CD-CD2 3.79Å; K386-L388 HydrophobicContact CG-CD2 4Å; K386-V402 PolarHBondContact N-O 3.27Å; K386-V402 PolarHBondContact O-N 2.78Å
387	I	91.7	Very high	91.8	Very high	31 Å²	31	80 Å²	80	16%	0.159	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.2	173.2	-64.1	-72.7	0	0	0	108.1	P355 L358 K359 F399 V400 C401	P355-I387 HydrophobicContact CB-CD1 4.35Å; P355-I387 HydrophobicContact CB-CG1 4.2Å; P355-I387 HydrophobicContact CB-CG2 4.09Å; L358-I387 HydrophobicContact CD2-CD1 4.35Å; K359-I387 HydrophobicContact CD-CG1 4.14Å; K359-I387 HydrophobicContact CG-CD1 4.34Å; K359-I387 HydrophobicContact CG-CG1 3.93Å; I387-F399 HydrophobicContact CG2-CB 3.9Å; I387-F399 HydrophobicContact CG2-CD1 3.7Å; I387-F399 HydrophobicContact CG2-CG 4.11Å; I387-V400 CarbonylContact C-O 3.48Å; I387-V400 WeakPolarHBondContact CA-O 3.49Å; I387-C401 HydrophobicContact CD1-CB 3.66Å
388	L	93.4	Very high	92.2	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.5	177.4	-55.5	-179	0	0	0	109.4	F281 K284 L287 K386 F399 V400 V402	F281-L388 HydrophobicContact CD1-CD1 4.39Å; F281-L388 HydrophobicContact CE1-CD1 3.86Å; F281-L388 HydrophobicContact CZ-CD1 4.04Å; K284-L388 WeakPolarHBondContact O-CD2 3.37Å; L287-L388 HydrophobicContact CD1-CB 3.88Å; L287-L388 HydrophobicContact CD1-CD1 3.81Å; L287-L388 HydrophobicContact CG-CB 4.22Å; L287-L388 HydrophobicContact CG-CD1 4.27Å; K386-L388 HydrophobicContact CD-CD2 3.79Å; K386-L388 HydrophobicContact CG-CD2 4Å; L388-F399 CarbonylContact O-C 3.6Å; L388-F399 VanDerWaalsContact O-CA 3.31Å; L388-F399 WeakPolarHBondContact O-CA 3.36Å; L388-V400 HydrophobicContact CB-CB 4.24Å; L388-V400 PolarHBondContact N-O 3.38Å; L388-V400 PolarHBondContact O-N 2.63Å; L388-V402 HydrophobicContact CD1-CG2 3.98Å; L388-V402 HydrophobicContact CG-CG2 4.44Å
389	K	93.4	Very high	92.3	Very high	101 Å²	101	66.5 Å²	66.5	44%	0.439	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.6	178.6	-70	179.4	-177.3	175.7	0	109.7	K286 L287 Y391 L396 F399	K286-K389 WeakPolarHBondContact CA-O 3.21Å; L287-K389 PolarHBondContact N-O 3.09Å; K389-Y391 HydrophobicContact CB-CD2 4.33Å; K389-Y391 HydrophobicContact CB-CE2 3.55Å; K389-L396 HydrophobicContact CB-CD1 3.74Å; K389-L396 HydrophobicContact CD-CD1 4.28Å; K389-L396 HydrophobicContact CG-CD1 3.97Å; K389-F399 HydrophobicContact CG-CD1 4.3Å; K389-F399 HydrophobicContact CG-CE1 4.16Å
390	V	93.8	Very high	92.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.6	177.1	-175.3	0	0	0	0	109.3	L287 V345 Y397 G398 V400	L287-V390 HydrophobicContact CB-CG2 4.35Å; L287-V390 CarbonylContact O-C 3.56Å; L287-V390 VanDerWaalsContact O-CA 3.31Å; L287-V390 WeakPolarHBondContact O-CA 3.48Å; V345-V390 HydrophobicContact CG1-CG1 3.91Å; V345-V390 HydrophobicContact CG1-CG2 3.75Å; V390-Y397 HydrophobicContact CG1-CD1 4.44Å; V390-Y397 WeakPolarHBondContact O-CB 3.3Å; V390-Y397 PolarHBondContact O-N 3.12Å; V390-G398 PolarHBondContact N-O 3.47Å; V390-G398 PolarHBondContact O-N 2.83Å; V390-V400 HydrophobicContact CG2-CB 4.41Å; V390-V400 HydrophobicContact CG2-CG2 3.73Å
391	Y	94.5	Very high	92.5	Very high	52 Å²	52	55.2 Å²	55.2	20%	0.204	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.7	-179.4	-68.4	-95.7	0	0	0	111.7	K286 L287 N288 Y289 K389 E394 A395 L396	K286-Y391 HydrophobicContact CB-CD2 4.35Å; K286-Y391 HydrophobicContact CB-CE2 4.21Å; K286-Y391 HydrophobicContact CD-CE2 3.91Å; K286-Y391 HydrophobicContact CG-CE2 3.93Å; L287-Y391 PolarHBondContact O-N 3.38Å; N288-Y391 CarbonylContact C-O 3.59Å; Y289-Y391 WeakPolarHBondContact CB-O 3.46Å; Y289-Y391 PolarHBondContact N-O 3.42Å; K389-Y391 HydrophobicContact CB-CD2 4.33Å; K389-Y391 HydrophobicContact CB-CE2 3.55Å; Y391-E394 WeakPolarHBondContact CD1-O 3.39Å; Y391-A395 CarbonylContact C-O 3.55Å; Y391-A395 VanDerWaalsContact CA-O 3.29Å; Y391-A395 WeakPolarHBondContact CA-O 3.27Å; Y391-L396 HydrophobicContact CD1-CB 4.44Å; Y391-L396 HydrophobicContact CE1-CB 4.15Å; Y391-L396 HydrophobicContact CE1-CD1 4.49Å
392	Q	93.2	Very high	92.5	Very high	78 Å²	78	54.5 Å²	54.5	36%	0.364	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	116	170.8	-173.4	-179.2	36.7	0	0	107.9	Y289 E394 A395 Y397	Y289-Q392 HydrophobicContact CD1-CG 4.04Å; Y289-Q392 HydrophobicContact CG-CB 4.25Å; Y289-Q392 HydrophobicContact CG-CG 4.22Å; Q392-E394 VanDerWaalsContact C-N 3.31Å; Q392-E394 PolarHBondContact O-N 3.02Å; Q392-A395 PolarHBondContact N-O 2.85Å; Q392-A395 PolarHBondContact O-N 3.47Å; Q392-A395 VanDerWaalsContact O-N 3.13Å; Q392-Y397 HydrophobicContact CB-CD2 4.09Å; Q392-Y397 HydrophobicContact CB-CG 4.25Å; Q392-Y397 VanDerWaalsContact OE1-CD2 3.27Å
393	R	90.7	Very high	92.6	Very high	240 Å²	240	50.3 Å²	50.3	91%	0.906	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	51.9	-176.1	-57.8	176.8	-180	171.4	-1.8	111.6	A395	R393-A395 PolarHBondContact O-N 3.41Å
394	E	85.5	Confident	92.7	Very high	188 Å²	188	50.2 Å²	50.2	88%	0.879	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	-5.5	-178.8	-54.7	-175.7	170.1	0	0	116.6	Y391 Q392	Y391-E394 WeakPolarHBondContact CD1-O 3.39Å; Q392-E394 VanDerWaalsContact C-N 3.31Å; Q392-E394 PolarHBondContact O-N 3.02Å
395	A	91.3	Very high	92.7	Very high	57 Å²	57	47.1 Å²	47.1	47%	0.471	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	136.8	172.8	0	0	0	0	0	111.3	Y391 Q392 R393 Y397	Y391-A395 CarbonylContact C-O 3.55Å; Y391-A395 VanDerWaalsContact CA-O 3.29Å; Y391-A395 WeakPolarHBondContact CA-O 3.27Å; Q392-A395 PolarHBondContact N-O 2.85Å; Q392-A395 PolarHBondContact O-N 3.47Å; Q392-A395 VanDerWaalsContact O-N 3.13Å; R393-A395 PolarHBondContact O-N 3.41Å; A395-Y397 PolarHBondContact O-N 3.08Å
396	L	91.3	Very high	92.8	Very high	51 Å²	51	49.7 Å²	49.7	27%	0.267	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	113.3	172.3	179.2	67.5	0	0	0	109.3	K350 K389 Y391 F399	K350-L396 HydrophobicContact CD-CG 4.45Å; K350-L396 WeakPolarHBondContact CD-O 3.47Å; K350-L396 WeakPolarHBondContact CE-O 3.38Å; K350-L396 PolarHBondContact NZ-O 2.89Å; K389-L396 HydrophobicContact CB-CD1 3.74Å; K389-L396 HydrophobicContact CD-CD1 4.28Å; K389-L396 HydrophobicContact CG-CD1 3.97Å; Y391-L396 HydrophobicContact CD1-CB 4.44Å; Y391-L396 HydrophobicContact CE1-CB 4.15Å; Y391-L396 HydrophobicContact CE1-CD1 4.49Å; L396-F399 HydrophobicContact CD1-CE1 4.27Å; L396-F399 HydrophobicContact CD2-CE1 4.23Å; L396-F399 HydrophobicContact CD2-CZ 4.03Å
397	Y	90.5	Very high	92.9	Very high	45 Å²	45	51.2 Å²	51.2	18%	0.176	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-42.9	-179.2	175.5	-88.6	0	0	0	111.5	Y289 F346 M349 K350 V390 Q392 A395	Y289-Y397 AromaticContact CD2-CD1 3.73Å; Y289-Y397 HydrophobicContact CD2-CD1 3.73Å; Y289-Y397 HydrophobicContact CD2-CD2 4.34Å; Y289-Y397 AromaticContact CD2-CE1 3.63Å; Y289-Y397 HydrophobicContact CD2-CE1 3.63Å; Y289-Y397 HydrophobicContact CD2-CE2 4.22Å; Y289-Y397 HydrophobicContact CD2-CG 4.11Å; Y289-Y397 AromaticContact CD2-CZ 3.86Å; Y289-Y397 HydrophobicContact CE2-CD1 4.16Å; Y289-Y397 AromaticContact CE2-CE1 3.57Å; Y289-Y397 HydrophobicContact CE2-CE1 3.57Å; Y289-Y397 HydrophobicContact CE2-CE2 4Å; Y289-Y397 AromaticContact CE2-CZ 3.45Å; Y289-Y397 VanDerWaalsContact CE2-CZ 3.45Å; F346-Y397 WeakPolarHBondContact O-CD1 3.08Å; F346-Y397 WeakPolarHBondContact O-CE1 3.08Å; M349-Y397 VanDerWaalsContact CE-OH 3.31Å; M349-Y397 WeakPolarHBondContact CE-OH 3.33Å; M349-Y397 HydrophobicContact CG-CE1 4.31Å; K350-Y397 PolarHBondContact N-O 2.84Å; V390-Y397 HydrophobicContact CG1-CD1 4.44Å; V390-Y397 WeakPolarHBondContact O-CB 3.3Å; V390-Y397 PolarHBondContact O-N 3.12Å; Q392-Y397 HydrophobicContact CB-CD2 4.09Å; Q392-Y397 HydrophobicContact CB-CG 4.25Å; Q392-Y397 VanDerWaalsContact OE1-CD2 3.27Å; A395-Y397 PolarHBondContact O-N 3.08Å
398	G	90.4	Very high	93	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	-159.8	-173.6	0	0	0	0	0	113.5	C348 V390	C348-G398 CarbonylContact O-C 3.6Å; C348-G398 WeakPolarHBondContact O-CA 3.41Å; V390-G398 PolarHBondContact N-O 3.47Å; V390-G398 PolarHBondContact O-N 2.83Å
399	F	91	Very high	92.9	Very high	27 Å²	27	53.2 Å²	53.2	12%	0.118	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.6	-171.7	-54.8	-77.2	0	0	0	111.8	G347 C348 K350 P355 I387 L388 K389 L396	G347-F399 CarbonylContact C-O 3.33Å; G347-F399 WeakPolarHBondContact CA-O 3.33Å; C348-F399 WeakPolarHBondContact CB-O 3.33Å; C348-F399 PolarHBondContact N-O 3.16Å; C348-F399 PolarHBondContact O-N 3.17Å; K350-F399 HydrophobicContact CB-CD2 4.29Å; K350-F399 HydrophobicContact CB-CE2 3.6Å; K350-F399 HydrophobicContact CB-CZ 4.32Å; P355-F399 HydrophobicContact CG-CD1 3.81Å; P355-F399 HydrophobicContact CG-CD2 3.5Å; P355-F399 HydrophobicContact CG-CE1 3.74Å; P355-F399 HydrophobicContact CG-CE2 3.41Å; P355-F399 VanDerWaalsContact CG-CE2 3.41Å; P355-F399 HydrophobicContact CG-CG 3.69Å; P355-F399 HydrophobicContact CG-CZ 3.53Å; I387-F399 HydrophobicContact CG2-CB 3.9Å; I387-F399 HydrophobicContact CG2-CD1 3.7Å; I387-F399 HydrophobicContact CG2-CG 4.11Å; L388-F399 CarbonylContact O-C 3.6Å; L388-F399 VanDerWaalsContact O-CA 3.31Å; L388-F399 WeakPolarHBondContact O-CA 3.36Å; K389-F399 HydrophobicContact CG-CD1 4.3Å; K389-F399 HydrophobicContact CG-CE1 4.16Å; L396-F399 HydrophobicContact CD1-CE1 4.27Å; L396-F399 HydrophobicContact CD2-CE1 4.23Å; L396-F399 HydrophobicContact CD2-CZ 4.03Å
400	V	92.4	Very high	92.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.8	163.7	165.2	0	0	0	0	108	F281 L287 I335 I336 V345 I387 L388 V390 V402	F281-V400 HydrophobicContact CE1-CG1 4.3Å; F281-V400 HydrophobicContact CZ-CG1 4.33Å; L287-V400 HydrophobicContact CD1-CB 3.92Å; L287-V400 HydrophobicContact CD1-CG1 4.26Å; L287-V400 HydrophobicContact CD1-CG2 3.84Å; I335-V400 HydrophobicContact CG2-CG1 3.73Å; I336-V400 CarbonylContact O-C 3.56Å; I336-V400 VanDerWaalsContact O-CA 3.29Å; I336-V400 WeakPolarHBondContact O-CA 3.28Å; I336-V400 WeakPolarHBondContact O-CG1 3.4Å; V345-V400 HydrophobicContact CG1-CG2 3.78Å; I387-V400 CarbonylContact C-O 3.48Å; I387-V400 WeakPolarHBondContact CA-O 3.49Å; L388-V400 HydrophobicContact CB-CB 4.24Å; L388-V400 PolarHBondContact N-O 3.38Å; L388-V400 PolarHBondContact O-N 2.63Å; V390-V400 HydrophobicContact CG2-CB 4.41Å; V390-V400 HydrophobicContact CG2-CG2 3.73Å; V400-V402 HydrophobicContact CG1-CG2 3.99Å
401	C	91.6	Very high	93	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121	174.9	-173.3	0	0	0	0	109.1	I336 L358 I362 T385 I387	I336-C401 HydrophobicContact CB-CB 4.23Å; I336-C401 PolarHBondContact N-O 2.9Å; I336-C401 PolarHBondContact O-N 3.3Å; L358-C401 HydrophobicContact CD2-CB 3.77Å; I362-C401 WeakPolarHBondContact CD1-SG 2.91Å; T385-C401 WeakPolarHBondContact CG2-SG 3.4Å; I387-C401 HydrophobicContact CD1-CB 3.66Å
402	V	94.7	Very high	93.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.4	176.1	-168.9	0	0	0	0	108.8	F281 F282 Y333 I334 I335 T385 K386 L388 V400	F281-V402 HydrophobicContact CD1-CG2 4.28Å; F281-V402 HydrophobicContact CE1-CG2 3.84Å; F282-V402 HydrophobicContact CD2-CB 3.91Å; F282-V402 HydrophobicContact CD2-CG1 3.61Å; F282-V402 HydrophobicContact CE2-CB 4.25Å; F282-V402 HydrophobicContact CE2-CG1 4.18Å; Y333-V402 HydrophobicContact CD1-CG1 4.17Å; I334-V402 CarbonylContact O-C 3.52Å; I334-V402 WeakPolarHBondContact O-CA 3.38Å; I335-V402 HydrophobicContact CG1-CB 4.47Å; I335-V402 HydrophobicContact CG1-CG1 3.78Å; I335-V402 HydrophobicContact CG1-CG2 4.13Å; I335-V402 HydrophobicContact CG2-CG2 4.36Å; T385-V402 CarbonylContact C-O 3.58Å; T385-V402 WeakPolarHBondContact CA-O 3.34Å; K386-V402 PolarHBondContact N-O 3.27Å; K386-V402 PolarHBondContact O-N 2.78Å; L388-V402 HydrophobicContact CD1-CG2 3.98Å; L388-V402 HydrophobicContact CG-CG2 4.44Å; V400-V402 HydrophobicContact CG1-CG2 3.99Å
403	V	95.7	Very high	93.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.1	174.5	-172.9	0	0	0	0	107.9	Y333 I334 I362 I366 F383 T385 V405	Y333-V403 WeakPolarHBondContact CA-O 3.49Å; I334-V403 HydrophobicContact CB-CB 4.27Å; I334-V403 PolarHBondContact N-O 3.03Å; I334-V403 PolarHBondContact O-N 2.97Å; I362-V403 HydrophobicContact CD1-CG2 3.93Å; I362-V403 HydrophobicContact CG2-CG1 4.29Å; I362-V403 HydrophobicContact CG2-CG2 3.87Å; I366-V403 HydrophobicContact CD1-CG1 4.08Å; F383-V403 HydrophobicContact CD2-CG1 4.34Å; T385-V403 HydrophobicContact CG2-CG2 4.27Å; V403-V405 HydrophobicContact CG1-CG2 4.18Å
404	Q	97.5	Very high	93.7	Very high	41 Å²	41	31.1 Å²	31.1	19%	0.192	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.5	170.8	-179.4	-178.1	14	0	0	108.5	F282 G332 Y333 F383 T384	F282-Q404 HydrophobicContact CE2-CB 4.21Å; F282-Q404 HydrophobicContact CZ-CB 4.35Å; G332-Q404 CarbonylContact O-C 3.58Å; G332-Q404 WeakPolarHBondContact O-CA 3.46Å; Y333-Q404 HydrophobicContact CD1-CB 3.83Å; Y333-Q404 HydrophobicContact CD1-CG 3.99Å; Y333-Q404 HydrophobicContact CE1-CB 3.7Å; Y333-Q404 HydrophobicContact CE1-CG 3.46Å; Y333-Q404 VanDerWaalsContact CE1-CG 3.46Å; Y333-Q404 PolarHBondContact OH-NE2 3.47Å; Y333-Q404 VanDerWaalsContact OH-NE2 3.1Å; F383-Q404 CarbonylContact C-O 3.09Å; F383-Q404 WeakPolarHBondContact CA-O 3.14Å; F383-Q404 VanDerWaalsContact CB-O 3.28Å; F383-Q404 WeakPolarHBondContact CB-O 3.33Å; T384-Q404 PolarHBondContact N-O 3.49Å; T384-Q404 PolarHBondContact O-N 3.12Å
405	V	97.3	Very high	94.2	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.018	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.8	175.7	-178.5	0	0	0	0	108.1	V323 F326 A327 G331 G332 V403	V323-V405 HydrophobicContact CG1-CG1 4.27Å; V323-V405 HydrophobicContact CG1-CG2 4.39Å; V323-V405 HydrophobicContact CG2-CG2 4.08Å; F326-V405 HydrophobicContact CB-CB 3.97Å; F326-V405 HydrophobicContact CB-CG1 4.03Å; A327-V405 HydrophobicContact CB-CG1 4.11Å; G331-V405 CarbonylContact C-O 3.46Å; G331-V405 WeakPolarHBondContact CA-O 3.17Å; G332-V405 PolarHBondContact N-O 2.62Å; G332-V405 PolarHBondContact O-N 3.26Å; V403-V405 HydrophobicContact CG1-CG2 4.18Å
406	E	95.9	Very high	94.4	Very high	78 Å²	78	23.9 Å²	23.9	36%	0.364	13%	0.126	S	C	.	.	P	Polyproline II helix	trans	-84.2	153.6	176.2	-69.8	177.8	-167.1	0	0	111.4	N382 F408	N382-E406 HydrophobicContact CB-CB 4Å; N382-E406 HydrophobicContact CB-CG 4.22Å; N382-E406 VanDerWaalsContact CB-OE2 3.25Å; N382-E406 WeakPolarHBondContact CB-OE2 3.19Å; N382-E406 PolarHBondContact ND2-OE2 3.38Å; N382-E406 VanDerWaalsContact ND2-OE2 3.08Å; N382-E406 PolarHBondContact O-N 3Å; N382-E406 VanDerWaalsContact O-N 3.1Å; E406-F408 PolarHBondContact O-N 2.87Å
407	P	94.9	Very high	94.7	Very high	82 Å²	82	21.5 Å²	21.5	53%	0.532	11%	0.114	S	C	.	.	P	Polyproline II helix	trans	-59.1	135.3	170.3	3.4	-1.4	0	0	0	111	Q330	Q330-P407 WeakPolarHBondContact O-CG 3.49Å
408	F	95	Very high	94.9	Very high	11 Å²	11	20.6 Å²	20.6	5%	0.048	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-101.3	133.8	-178.9	-168.8	-110.2	0	0	0	110.9	K246 A327 T371 H373 P379 V381 E406 C410 V412	K246-F408 PolarHBondContact NZ-O 2.74Å; A327-F408 HydrophobicContact CB-CB 3.9Å; A327-F408 WeakPolarHBondContact O-CB 3.32Å; A327-F408 PolarHBondContact O-N 3.23Å; T371-F408 HydrophobicContact CG2-CE1 4.12Å; T371-F408 HydrophobicContact CG2-CZ 3.8Å; H373-F408 AromaticContact CE1-CE1 3.92Å; H373-F408 AromaticContact CE1-CZ 3.21Å; H373-F408 WeakPolarHBondContact CE1-CZ 3.37Å; H373-F408 AromaticContact NE2-CZ 3.79Å; P379-F408 HydrophobicContact CG-CE2 4.48Å; P379-F408 WeakPolarHBondContact O-CE2 3.46Å; V381-F408 HydrophobicContact CG2-CD2 4.43Å; V381-F408 HydrophobicContact CG2-CE2 4.2Å; E406-F408 PolarHBondContact O-N 2.87Å; F408-C410 VanDerWaalsContact C-N 3.25Å; F408-C410 VanDerWaalsContact CD1-C 3.49Å; F408-C410 HydrophobicContact CD1-CB 4.19Å; F408-C410 HydrophobicContact CE1-CB 3.89Å; F408-C410 PolarHBondContact O-N 3.25Å; F408-V412 HydrophobicContact CB-CG2 3.88Å; F408-V412 HydrophobicContact CD1-CG2 3.29Å; F408-V412 HydrophobicContact CD2-CG2 4.19Å; F408-V412 HydrophobicContact CE1-CG2 3.67Å; F408-V412 HydrophobicContact CG-CG2 3.55Å; F408-V412 HydrophobicContact CZ-CG2 4.23Å
409	C	90.4	Very high	95.1	Very high	63 Å²	63	20.6 Å²	20.6	43%	0.426	11%	0.112	S	C	.	.	S	Bend	trans	-66.6	-25.8	-173.7	63.2	0	0	0	0	113.6	K246	K246-C409 WeakPolarHBondContact CD-O 3.24Å
410	C	94	Very high	95.3	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.014	11%	0.11	C	C	.	.	S	Bend	trans	-115.9	-134.5	179.2	-56.9	0	0	0	0	110.6	K246 Y372 F374 C375 F408	K246-C410 VanDerWaalsContact CD-O 3.31Å; K246-C410 WeakPolarHBondContact CD-O 3.24Å; K246-C410 WeakPolarHBondContact CE-O 3.22Å; K246-C410 PolarHBondContact NZ-O 3.5Å; Y372-C410 WeakPolarHBondContact O-CB 3.4Å; F374-C410 HydrophobicContact CD2-CB 4.22Å; F374-C410 PolarHBondContact N-SG 3.41Å; C375-C410 PolarHBondContact SG-SG 2.88Å; F408-C410 VanDerWaalsContact C-N 3.25Å; F408-C410 VanDerWaalsContact CD1-C 3.49Å; F408-C410 HydrophobicContact CD1-CB 4.19Å; F408-C410 HydrophobicContact CE1-CB 3.89Å; F408-C410 PolarHBondContact O-N 3.25Å
411	V	96.4	Very high	95.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.8	-177.5	179.4	0	0	0	0	111.7	I223 L243 K246 T371 Y372 F374 F413	I223-V411 HydrophobicContact CD1-CG1 3.99Å; I223-V411 HydrophobicContact CG1-CG1 4.11Å; I223-V411 HydrophobicContact CG2-CG1 4.07Å; L243-V411 HydrophobicContact CD2-CB 4.34Å; L243-V411 HydrophobicContact CD2-CG2 3.79Å; K246-V411 HydrophobicContact CB-CG2 4.39Å; K246-V411 HydrophobicContact CG-CG2 3.95Å; T371-V411 WeakPolarHBondContact CA-O 3.41Å; Y372-V411 PolarHBondContact N-O 3.21Å; Y372-V411 PolarHBondContact O-N 2.89Å; F374-V411 HydrophobicContact CE2-CG2 4.45Å; V411-F413 HydrophobicContact CB-CE2 4.46Å; V411-F413 HydrophobicContact CG1-CD2 4.18Å; V411-F413 HydrophobicContact CG1-CE2 3.76Å; V411-F413 HydrophobicContact CG1-CZ 4.28Å
412	V	97.7	Very high	95.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.5	174.5	-174.4	0	0	0	0	109.7	S324 A327 N328 L369 T371 V381 F408	S324-V412 PolarHBondContact OG-O 3.44Å; A327-V412 HydrophobicContact CB-CB 4.07Å; A327-V412 HydrophobicContact CB-CG2 3.68Å; N328-V412 PolarHBondContact ND2-O 3.04Å; N328-V412 PolarHBondContact OD1-N 3.45Å; L369-V412 HydrophobicContact CB-CG1 4.13Å; L369-V412 HydrophobicContact CD1-CG1 4.11Å; T371-V412 HydrophobicContact CG2-CG1 4.41Å; T371-V412 HydrophobicContact CG2-CG2 4.17Å; V381-V412 HydrophobicContact CG2-CG1 3.96Å; V381-V412 HydrophobicContact CG2-CG2 3.72Å; F408-V412 HydrophobicContact CB-CG2 3.88Å; F408-V412 HydrophobicContact CD1-CG2 3.29Å; F408-V412 HydrophobicContact CD2-CG2 4.19Å; F408-V412 HydrophobicContact CE1-CG2 3.67Å; F408-V412 HydrophobicContact CG-CG2 3.55Å; F408-V412 HydrophobicContact CZ-CG2 4.23Å
413	F	98.1	Very high	94.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-95.1	149.6	173.9	-66.3	-107	0	0	0	110.1	S221 N222 I223 P370 V411 E415 P417 A432 W435 V436	S221-F413 WeakPolarHBondContact O-CD1 3.36Å; N222-F413 WeakPolarHBondContact O-CA 3.49Å; I223-F413 HydrophobicContact CD1-CD1 4.28Å; I223-F413 HydrophobicContact CD1-CE1 3.51Å; I223-F413 HydrophobicContact CD1-CE2 4.4Å; I223-F413 HydrophobicContact CD1-CZ 3.57Å; I223-F413 HydrophobicContact CG1-CD1 3.51Å; I223-F413 HydrophobicContact CG1-CE1 3.25Å; I223-F413 HydrophobicContact CG1-CE2 4.32Å; I223-F413 HydrophobicContact CG1-CG 4.15Å; I223-F413 HydrophobicContact CG1-CZ 3.7Å; P370-F413 HydrophobicContact CB-CB 4.08Å; P370-F413 HydrophobicContact CG-CB 4.23Å; P370-F413 PolarHBondContact O-N 2.87Å; V411-F413 HydrophobicContact CB-CE2 4.46Å; V411-F413 HydrophobicContact CG1-CD2 4.18Å; V411-F413 HydrophobicContact CG1-CE2 3.76Å; V411-F413 HydrophobicContact CG1-CZ 4.28Å; F413-E415 WeakPolarHBondContact CB-O 3.18Å; F413-P417 HydrophobicContact CD1-CG 4.01Å; F413-P417 HydrophobicContact CE1-CG 3.71Å; F413-A432 HydrophobicContact CD1-CB 4.26Å; F413-A432 HydrophobicContact CD2-CB 3.87Å; F413-A432 HydrophobicContact CE1-CB 4.3Å; F413-A432 HydrophobicContact CE2-CB 3.93Å; F413-A432 HydrophobicContact CG-CB 4.06Å; F413-A432 HydrophobicContact CZ-CB 4.15Å; F413-W435 HydrophobicContact CE1-CE3 4.11Å; F413-W435 HydrophobicContact CE1-CZ3 4.29Å; F413-W435 HydrophobicContact CZ-CE3 4.15Å; F413-W435 HydrophobicContact CZ-CZ3 4.35Å; F413-V436 HydrophobicContact CE2-CG2 4.09Å; F413-V436 HydrophobicContact CZ-CG2 3.64Å
414	A	96.5	Very high	93.6	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.033	18%	0.177	C	C	.	.	S	Bend	trans	-73.7	-36.9	169.7	0	0	0	0	0	112	N222 Y224 A320 L369	N222-A414 PolarHBondContact O-N 3.49Å; Y224-A414 HydrophobicContact CD2-CB 3.89Å; Y224-A414 HydrophobicContact CE2-CB 3.73Å; A320-A414 HydrophobicContact CB-CB 3.99Å; L369-A414 VanDerWaalsContact CD2-O 3.28Å; L369-A414 WeakPolarHBondContact CD2-O 3.12Å
415	E	95.3	Very high	92.5	Very high	67 Å²	67	36.1 Å²	36.1	31%	0.313	19%	0.193	S	C	.	.	S	Bend	trans	-154.1	170.8	174.3	-67.5	-172.3	-177.3	0	0	107.9	R91 N222 F413 R429	R91-E415 IonicContact NH1-OE1 2.65Å; N222-E415 WeakPolarHBondContact CB-O 3.29Å; F413-E415 WeakPolarHBondContact CB-O 3.18Å; E415-R429 IonicContact OE2-NH2 2.8Å
416	D	96.9	Very high	92	Very high	27 Å²	27	39.5 Å²	39.5	14%	0.144	21%	0.21	C	C	.	.	S	Bend	trans	-51	145.8	168.5	-79.7	-40.2	0	0	0	110.2	N222 R429 K431 A432	N222-D416 PolarHBondContact ND2-O 3.11Å; D416-R429 PolarHBondContact O-NE 3.39Å; D416-R429 PolarHBondContact O-NH2 3.05Å; D416-K431 WeakPolarHBondContact OD1-CA 3.49Å; D416-K431 WeakPolarHBondContact OD2-CD 3.42Å; D416-K431 IonicContact OD2-NZ 2.79Å; D416-K431 PolarHBondContact OD2-NZ 3.32Å; D416-A432 PolarHBondContact OD1-N 2.91Å
417	P	96.6	Very high	91.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.			trans	-56.9	150.3	-179.9	-27.6	36.8	0	0	0	112.8	F413 S419 R429 W435	F413-P417 HydrophobicContact CD1-CG 4.01Å; F413-P417 HydrophobicContact CE1-CG 3.71Å; P417-S419 PolarHBondContact O-N 2.98Å; P417-R429 WeakPolarHBondContact O-CG 3.35Å; P417-R429 PolarHBondContact O-NE 2.78Å; P417-W435 HydrophobicContact CB-CB 4.48Å; P417-W435 HydrophobicContact CB-CD2 4.21Å; P417-W435 HydrophobicContact CB-CG 3.9Å; P417-W435 HydrophobicContact CG-CB 3.83Å; P417-W435 HydrophobicContact CG-CD2 3.81Å; P417-W435 HydrophobicContact CG-CE3 4.27Å; P417-W435 HydrophobicContact CG-CG 3.58Å
418	D	94.9	Very high	91.6	Very high	26 Å²	26	34.2 Å²	34.2	14%	0.139	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-80.7	68.4	171.1	-67.5	-7.1	0	0	0	108.4	L219 R220 N222 W420 R429	L219-D418 HydrophobicContact CB-CB 4Å; L219-D418 WeakPolarHBondContact CB-O 3.26Å; L219-D418 PolarHBondContact N-O 2.88Å; R220-D418 HydrophobicContact CB-CB 3.96Å; R220-D418 WeakPolarHBondContact CD-OD2 3.27Å; R220-D418 PolarHBondContact O-N 3.43Å; N222-D418 PolarHBondContact ND2-OD1 2.95Å; D418-W420 HydrophobicContact CB-CH2 3.72Å; D418-W420 HydrophobicContact CB-CZ3 4.13Å; D418-W420 VanDerWaalsContact O-CZ3 3.22Å; D418-W420 WeakPolarHBondContact O-CZ3 3.5Å; D418-R429 IonicContact OD1-CZ 2.63Å; D418-R429 IonicContact OD1-NE 3.36Å; D418-R429 IonicContact OD1-NH2 2.71Å; D418-R429 PolarHBondContact OD1-NH2 3.11Å
419	S	94.6	Very high	91.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.			trans	-140.2	142.4	-178.4	-168.2	0	0	0	0	109.2	N147 C217 S218 P417 R429 L430	N147-S419 PolarHBondContact ND2-OG 3.42Å; C217-S419 PolarHBondContact O-OG 2.85Å; S218-S419 VanDerWaalsContact OG-CB 3.24Å; S218-S419 WeakPolarHBondContact OG-CB 3.25Å; S218-S419 PolarHBondContact OG-OG 3.24Å; S218-S419 VanDerWaalsContact OG-OG 3.05Å; P417-S419 PolarHBondContact O-N 2.98Å; S419-R429 CarbonylContact O-C 3.59Å; S419-R429 WeakPolarHBondContact O-CA 3.32Å; S419-R429 WeakPolarHBondContact O-CG 3.48Å; S419-L430 PolarHBondContact O-N 3.45Å
420	W	94.8	Very high	91.8	Very high	23 Å²	23	33.5 Å²	33.5	9%	0.087	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.6	-174.2	-62.8	-96.5	0	0	0	110.5	Q140 C143 A144 N147 L219 D418 V427 T428	Q140-W420 HydrophobicContact CB-CD2 4.13Å; Q140-W420 HydrophobicContact CB-CE3 4.42Å; Q140-W420 HydrophobicContact CB-CG 4.39Å; Q140-W420 HydrophobicContact CG-CD2 3.8Å; Q140-W420 HydrophobicContact CG-CE3 4.03Å; Q140-W420 HydrophobicContact CG-CG 4.49Å; Q140-W420 HydrophobicContact CG-CH2 3.84Å; Q140-W420 HydrophobicContact CG-CZ2 3.61Å; Q140-W420 HydrophobicContact CG-CZ3 4.04Å; Q140-W420 VanDerWaalsContact NE2-CZ2 3.31Å; C143-W420 HydrophobicContact CB-CE3 3.9Å; A144-W420 WeakPolarHBondContact CA-O 3.44Å; A144-W420 HydrophobicContact CB-CB 3.88Å; N147-W420 WeakPolarHBondContact CB-O 3.31Å; N147-W420 PolarHBondContact ND2-O 2.98Å; L219-W420 HydrophobicContact CB-CZ3 4.34Å; D418-W420 HydrophobicContact CB-CH2 3.72Å; D418-W420 HydrophobicContact CB-CZ3 4.13Å; D418-W420 VanDerWaalsContact O-CZ3 3.22Å; D418-W420 WeakPolarHBondContact O-CZ3 3.5Å; W420-V427 HydrophobicContact CB-CG1 4.02Å; W420-V427 HydrophobicContact CG-CG1 4.18Å; W420-T428 CarbonylContact C-O 3.6Å; W420-T428 WeakPolarHBondContact CA-O 3.39Å
421	I	92.5	Very high	91.9	Very high	25 Å²	25	39 Å²	39	13%	0.128	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.5	176.2	-168.1	163.7	0	0	0	109.1	S148 E423 T428 L430 M438	S148-I421 WeakPolarHBondContact OG-CG1 3.39Å; I421-E423 HydrophobicContact CG2-CG 3.99Å; I421-T428 PolarHBondContact N-O 3.27Å; I421-T428 PolarHBondContact O-N 2.74Å; I421-L430 HydrophobicContact CB-CD2 4.03Å; I421-L430 HydrophobicContact CB-CG 4.15Å; I421-L430 HydrophobicContact CD1-CD2 4.44Å; I421-L430 HydrophobicContact CG2-CD2 3.57Å; I421-L430 HydrophobicContact CG2-CG 3.95Å; I421-M438 HydrophobicContact CD1-CE 3.66Å; I421-M438 HydrophobicContact CD1-SD 4.48Å
422	M	88.6	Confident	91.9	Very high	26 Å²	26	39.1 Å²	39.1	13%	0.128	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.6	170.7	-64.4	-60.5	-56.7	0	0	109.7	V100 I108 V110 A144 L145 S148 I426 V427	V100-M422 HydrophobicContact CG2-CE 4.27Å; I108-M422 HydrophobicContact CG2-CE 3.91Å; I108-M422 HydrophobicContact CG2-CG 4.38Å; V110-M422 HydrophobicContact CG2-CE 3.98Å; V110-M422 HydrophobicContact CG2-SD 3.82Å; A144-M422 HydrophobicContact CB-CG 4.32Å; A144-M422 HydrophobicContact CB-SD 4Å; L145-M422 HydrophobicContact CD2-CG 4.07Å; L145-M422 HydrophobicContact CD2-SD 4.35Å; S148-M422 WeakPolarHBondContact OG-CB 3.42Å; S148-M422 PolarHBondContact OG-N 2.87Å; M422-I426 WeakPolarHBondContact CA-O 3.12Å; M422-V427 HydrophobicContact CE-CG2 4.45Å; M422-V427 HydrophobicContact SD-CG2 3.63Å
423	E	80.7	Confident	91.7	Very high	67 Å²	67	44.9 Å²	44.9	31%	0.313	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.3	172.7	-79.1	176.4	179.5	0	0	109.1	I421 N425 I426 Q434	I421-E423 HydrophobicContact CG2-CG 3.99Å; E423-N425 PolarHBondContact O-N 3.26Å; E423-N425 VanDerWaalsContact O-N 3.11Å; E423-I426 PolarHBondContact N-O 2.97Å; E423-I426 PolarHBondContact O-N 3.07Å; E423-I426 VanDerWaalsContact O-O 3.13Å; E423-Q434 PolarHBondContact OE1-NE2 3.2Å
424	N	76.5	Confident	91.5	Very high	155 Å²	155	47.8 Å²	47.8	83%	0.829	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	41.2	179.3	-59.9	-35.3	0	0	0	113.8	I426	N424-I426 PolarHBondContact O-N 2.99Å
425	N	75	Confident	91.4	Very high	99 Å²	99	47.6 Å²	47.6	53%	0.529	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	19.4	-177.7	-60.9	-35.6	0	0	0	115.2	V100 E423	V100-N425 HydrophobicContact CB-CB 3.96Å; V100-N425 HydrophobicContact CG2-CB 3.52Å; E423-N425 PolarHBondContact O-N 3.26Å; E423-N425 VanDerWaalsContact O-N 3.11Å
426	I	86.3	Confident	91.3	Very high	75 Å²	75	44.4 Å²	44.4	39%	0.385	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.4	176.5	-58	172.5	0	0	0	108.8	L96 M422 E423 N424 T428	L96-I426 WeakPolarHBondContact O-CG2 3.22Å; M422-I426 WeakPolarHBondContact CA-O 3.12Å; E423-I426 PolarHBondContact N-O 2.97Å; E423-I426 PolarHBondContact O-N 3.07Å; E423-I426 VanDerWaalsContact O-O 3.13Å; N424-I426 PolarHBondContact O-N 2.99Å; I426-T428 PolarHBondContact O-N 2.7Å
427	V	90.5	Very high	91	Very high	8 Å²	8	47.4 Å²	47.4	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	112.3	173.1	173.6	0	0	0	0	108.9	L98 V110 Q140 A144 W420 M422	L98-V427 HydrophobicContact CD1-CB 4.24Å; L98-V427 HydrophobicContact CD1-CG2 3.83Å; V110-V427 HydrophobicContact CG1-CG2 4.23Å; V110-V427 HydrophobicContact CG2-CG2 4.46Å; Q140-V427 HydrophobicContact CB-CG1 4.46Å; A144-V427 HydrophobicContact CB-CB 4.44Å; A144-V427 HydrophobicContact CB-CG1 3.86Å; A144-V427 HydrophobicContact CB-CG2 4.05Å; W420-V427 HydrophobicContact CB-CG1 4.02Å; W420-V427 HydrophobicContact CG-CG1 4.18Å; M422-V427 HydrophobicContact CE-CG2 4.45Å; M422-V427 HydrophobicContact SD-CG2 3.63Å
428	T	93.1	Very high	90.5	Very high	41 Å²	41	50.3 Å²	50.3	25%	0.252	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.1	-176.8	-54	0	0	0	0	110.4	W420 I421 I426	W420-T428 CarbonylContact C-O 3.6Å; W420-T428 WeakPolarHBondContact CA-O 3.39Å; I421-T428 PolarHBondContact N-O 3.27Å; I421-T428 PolarHBondContact O-N 2.74Å; I426-T428 PolarHBondContact O-N 2.7Å
429	R	95.3	Very high	90.1	Very high	58 Å²	58	49 Å²	49	22%	0.219	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.7	174.9	-170.8	-172	-171	-179.3	9.6	109.4	E415 D416 P417 D418 S419	E415-R429 IonicContact OE2-NH2 2.8Å; D416-R429 PolarHBondContact O-NE 3.39Å; D416-R429 PolarHBondContact O-NH2 3.05Å; P417-R429 WeakPolarHBondContact O-CG 3.35Å; P417-R429 PolarHBondContact O-NE 2.78Å; D418-R429 IonicContact OD1-CZ 2.63Å; D418-R429 IonicContact OD1-NE 3.36Å; D418-R429 IonicContact OD1-NH2 2.71Å; D418-R429 PolarHBondContact OD1-NH2 3.11Å; S419-R429 CarbonylContact O-C 3.59Å; S419-R429 WeakPolarHBondContact O-CA 3.32Å; S419-R429 WeakPolarHBondContact O-CG 3.48Å
430	L	94.8	Very high	89.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-66.5	138.4	177.1	-78.3	169.5	0	0	0	111.2	I216 S419 I421 Q434 W435 M438	I216-L430 HydrophobicContact CD1-CD1 3.51Å; I216-L430 HydrophobicContact CG1-CD1 4.5Å; S419-L430 PolarHBondContact O-N 3.45Å; I421-L430 HydrophobicContact CB-CD2 4.03Å; I421-L430 HydrophobicContact CB-CG 4.15Å; I421-L430 HydrophobicContact CD1-CD2 4.44Å; I421-L430 HydrophobicContact CG2-CD2 3.57Å; I421-L430 HydrophobicContact CG2-CG 3.95Å; L430-Q434 HydrophobicContact CD2-CB 3.89Å; L430-W435 HydrophobicContact CB-CB 4.49Å; L430-M438 HydrophobicContact CD1-SD 4.02Å; L430-M438 HydrophobicContact CD2-CE 3.79Å; L430-M438 HydrophobicContact CD2-SD 4.21Å
431	K	96.1	Very high	88.4	Confident	118 Å²	118	51.9 Å²	51.9	51%	0.513	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-75.9	149.5	168.8	-63.5	-57.8	-177.9	178.2	0	110.8	D416 Q433 Q434 W435	D416-K431 WeakPolarHBondContact OD1-CA 3.49Å; D416-K431 WeakPolarHBondContact OD2-CD 3.42Å; D416-K431 IonicContact OD2-NZ 2.79Å; D416-K431 PolarHBondContact OD2-NZ 3.32Å; K431-Q433 PolarHBondContact O-N 3.43Å; K431-Q433 VanDerWaalsContact O-N 3.08Å; K431-Q434 VanDerWaalsContact N-OE1 3.16Å; K431-Q434 PolarHBondContact O-N 3.47Å; K431-W435 WeakPolarHBondContact O-CB 3.39Å; K431-W435 PolarHBondContact O-N 3.06Å
432	A	95.7	Very high	86.5	Confident	3 Å²	3	51 Å²	51	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-48.6	-40.4	178.3	0	0	0	0	0	112.4	P370 F413 D416 W435 V436	P370-A432 HydrophobicContact CB-CB 3.82Å; F413-A432 HydrophobicContact CD1-CB 4.26Å; F413-A432 HydrophobicContact CD2-CB 3.87Å; F413-A432 HydrophobicContact CE1-CB 4.3Å; F413-A432 HydrophobicContact CE2-CB 3.93Å; F413-A432 HydrophobicContact CG-CB 4.06Å; F413-A432 HydrophobicContact CZ-CB 4.15Å; D416-A432 PolarHBondContact OD1-N 2.91Å; A432-W435 PolarHBondContact O-N 3.35Å; A432-V436 VanDerWaalsContact O-CG2 3.32Å; A432-V436 WeakPolarHBondContact O-CG2 3.5Å; A432-V436 PolarHBondContact O-N 3.5Å
433	Q	94.1	Very high	84.2	Confident	120 Å²	120	55.9 Å²	55.9	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-60.2	-56.4	176	-177	179.7	-9.1	0	0	113.3	Y372 K431 W435 V436 E437	Y372-Q433 HydrophobicContact CD2-CB 4.45Å; Y372-Q433 HydrophobicContact CD2-CG 4.36Å; Y372-Q433 HydrophobicContact CE2-CG 4.06Å; K431-Q433 PolarHBondContact O-N 3.43Å; K431-Q433 VanDerWaalsContact O-N 3.08Å; Q433-W435 PolarHBondContact O-N 3.32Å; Q433-V436 PolarHBondContact O-N 2.85Å; Q433-E437 VanDerWaalsContact CG-OE1 3.26Å; Q433-E437 WeakPolarHBondContact CG-OE1 3.46Å; Q433-E437 PolarHBondContact NE2-OE1 3.46Å; Q433-E437 WeakPolarHBondContact O-CG 3.47Å; Q433-E437 PolarHBondContact O-N 2.97Å
434	Q	92.9	Very high	81.9	Confident	61 Å²	61	56.6 Å²	56.6	29%	0.285	29%	0.293	S	S	.	.	H	α-helix	trans	-59.6	-38.7	179.9	-65	170.7	-54.1	0	0	111	E423 L430 K431 E437 M438	E423-Q434 PolarHBondContact OE1-NE2 3.2Å; L430-Q434 HydrophobicContact CD2-CB 3.89Å; K431-Q434 VanDerWaalsContact N-OE1 3.16Å; K431-Q434 PolarHBondContact O-N 3.47Å; Q434-E437 PolarHBondContact O-N 2.89Å; Q434-M438 VanDerWaalsContact O-CG 3.31Å; Q434-M438 WeakPolarHBondContact O-CG 3.39Å; Q434-M438 PolarHBondContact O-N 2.92Å
435	W	94.4	Very high	79.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.8	-45.4	178.7	-173.2	92	0	0	0	112.3	I216 S218 I223 A239 L243 F413 P417 L430 K431 A432 Q433 M438 M439	I216-W435 HydrophobicContact CD1-CG 4.09Å; S218-W435 PolarHBondContact OG-NE1 3.37Å; I223-W435 HydrophobicContact CD1-CH2 4.23Å; I223-W435 HydrophobicContact CD1-CZ3 3.76Å; A239-W435 HydrophobicContact CB-CH2 3.91Å; L243-W435 HydrophobicContact CD1-CZ3 3.9Å; F413-W435 HydrophobicContact CE1-CE3 4.11Å; F413-W435 HydrophobicContact CE1-CZ3 4.29Å; F413-W435 HydrophobicContact CZ-CE3 4.15Å; F413-W435 HydrophobicContact CZ-CZ3 4.35Å; P417-W435 HydrophobicContact CB-CB 4.48Å; P417-W435 HydrophobicContact CB-CD2 4.21Å; P417-W435 HydrophobicContact CB-CG 3.9Å; P417-W435 HydrophobicContact CG-CB 3.83Å; P417-W435 HydrophobicContact CG-CD2 3.81Å; P417-W435 HydrophobicContact CG-CE3 4.27Å; P417-W435 HydrophobicContact CG-CG 3.58Å; L430-W435 HydrophobicContact CB-CB 4.49Å; K431-W435 WeakPolarHBondContact O-CB 3.39Å; K431-W435 PolarHBondContact O-N 3.06Å; A432-W435 PolarHBondContact O-N 3.35Å; Q433-W435 PolarHBondContact O-N 3.32Å; W435-M438 PolarHBondContact O-N 2.93Å; W435-M439 HydrophobicContact CD2-CG 3.85Å; W435-M439 HydrophobicContact CE3-CG 3.76Å; W435-M439 HydrophobicContact CH2-CE 3.68Å; W435-M439 HydrophobicContact CH2-CG 3.58Å; W435-M439 HydrophobicContact CH2-SD 3.96Å; W435-M439 HydrophobicContact CZ2-CE 4.02Å; W435-M439 HydrophobicContact CZ2-CG 3.65Å; W435-M439 HydrophobicContact CZ2-SD 3.79Å; W435-M439 HydrophobicContact CZ3-CB 4.49Å; W435-M439 HydrophobicContact CZ3-CE 4.4Å; W435-M439 HydrophobicContact CZ3-CG 3.64Å; W435-M439 WeakPolarHBondContact O-CB 2.96Å; W435-M439 VanDerWaalsContact O-CG 3.31Å; W435-M439 WeakPolarHBondContact O-CG 3.5Å; W435-M439 PolarHBondContact O-N 3.48Å
436	V	93.5	Very high	77.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-42.3	176.9	172.5	0	0	0	0	111.2	L243 Y372 F374 F413 A432 Q433 M438 M439 L440	L243-V436 HydrophobicContact CD1-CG1 4.19Å; L243-V436 HydrophobicContact CD1-CG2 4.22Å; L243-V436 HydrophobicContact CD2-CB 4.47Å; L243-V436 HydrophobicContact CD2-CG1 3.8Å; L243-V436 HydrophobicContact CD2-CG2 3.81Å; Y372-V436 HydrophobicContact CD1-CB 4.29Å; Y372-V436 HydrophobicContact CD1-CG1 3.62Å; Y372-V436 HydrophobicContact CD1-CG2 4.42Å; Y372-V436 HydrophobicContact CD2-CB 3.71Å; Y372-V436 HydrophobicContact CD2-CG1 3.89Å; Y372-V436 HydrophobicContact CD2-CG2 3.99Å; Y372-V436 HydrophobicContact CE1-CB 4.34Å; Y372-V436 HydrophobicContact CE1-CG1 3.44Å; Y372-V436 VanDerWaalsContact CE1-CG1 3.44Å; Y372-V436 HydrophobicContact CE2-CB 3.74Å; Y372-V436 HydrophobicContact CE2-CG1 3.69Å; Y372-V436 HydrophobicContact CG-CB 3.97Å; Y372-V436 HydrophobicContact CG-CG1 3.82Å; Y372-V436 HydrophobicContact CG-CG2 3.91Å; Y372-V436 VanDerWaalsContact CZ-CG1 3.46Å; F374-V436 HydrophobicContact CZ-CG1 4.47Å; F413-V436 HydrophobicContact CE2-CG2 4.09Å; F413-V436 HydrophobicContact CZ-CG2 3.64Å; A432-V436 VanDerWaalsContact O-CG2 3.32Å; A432-V436 WeakPolarHBondContact O-CG2 3.5Å; A432-V436 PolarHBondContact O-N 3.5Å; Q433-V436 PolarHBondContact O-N 2.85Å; V436-M438 VanDerWaalsContact C-N 3.31Å; V436-M438 PolarHBondContact O-N 3.15Å; V436-M439 PolarHBondContact O-N 3.41Å; V436-L440 HydrophobicContact CG1-CD1 3.55Å; V436-L440 HydrophobicContact CG1-CG 4.1Å; V436-L440 WeakPolarHBondContact O-CB 3.31Å; V436-L440 WeakPolarHBondContact O-CG 3.41Å; V436-L440 PolarHBondContact O-N 3.01Å
437	E	89.6	Confident	74.5	Confident	91 Å²	91	57 Å²	57	43%	0.425	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-42	176.3	-70.5	167.6	-171.5	0	0	111.3	Y372 Q433 Q434 A441	Y372-E437 HydrophobicContact CE2-CG 4.46Å; Q433-E437 VanDerWaalsContact CG-OE1 3.26Å; Q433-E437 WeakPolarHBondContact CG-OE1 3.46Å; Q433-E437 PolarHBondContact NE2-OE1 3.46Å; Q433-E437 WeakPolarHBondContact O-CG 3.47Å; Q433-E437 PolarHBondContact O-N 2.97Å; Q434-E437 PolarHBondContact O-N 2.89Å; E437-A441 WeakPolarHBondContact O-CB 3.39Å; E437-A441 PolarHBondContact O-N 2.83Å
438	M	86.4	Confident	71.3	Confident	60 Å²	60	59.6 Å²	59.6	30%	0.296	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-36.4	175.1	-69.9	179.5	-165.1	0	0	113.1	I216 I421 L430 Q434 W435 V436	I216-M438 HydrophobicContact CD1-CB 3.98Å; I216-M438 HydrophobicContact CD1-SD 3.92Å; I421-M438 HydrophobicContact CD1-CE 3.66Å; I421-M438 HydrophobicContact CD1-SD 4.48Å; L430-M438 HydrophobicContact CD1-SD 4.02Å; L430-M438 HydrophobicContact CD2-CE 3.79Å; L430-M438 HydrophobicContact CD2-SD 4.21Å; Q434-M438 VanDerWaalsContact O-CG 3.31Å; Q434-M438 WeakPolarHBondContact O-CG 3.39Å; Q434-M438 PolarHBondContact O-N 2.92Å; W435-M438 PolarHBondContact O-N 2.93Å; V436-M438 VanDerWaalsContact C-N 3.31Å; V436-M438 PolarHBondContact O-N 3.15Å
439	M	86.4	Confident	67.9	Low	0 Å²	0	66 Å²	66	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-66.9	-45.3	175	-77.5	-70.1	-75.9	0	0	112	L214 I216 A236 A239 L240 L243 W435 V436 A441 I442	L214-M439 HydrophobicContact CD2-CE 3.89Å; L214-M439 HydrophobicContact CD2-SD 4.11Å; I216-M439 HydrophobicContact CG2-CG 3.77Å; I216-M439 HydrophobicContact CG2-SD 3.18Å; I216-M439 WeakPolarHBondContact CG2-SD 3.46Å; A236-M439 WeakPolarHBondContact O-CE 3.05Å; A239-M439 HydrophobicContact CB-CE 4.5Å; L240-M439 HydrophobicContact CB-CE 3.59Å; L240-M439 HydrophobicContact CD1-CB 4.33Å; L240-M439 HydrophobicContact CD1-CE 4.2Å; L240-M439 VanDerWaalsContact CD1-O 3.3Å; L240-M439 WeakPolarHBondContact CD1-O 3.03Å; L240-M439 HydrophobicContact CG-CE 4.41Å; L243-M439 HydrophobicContact CD1-CB 3.95Å; L243-M439 HydrophobicContact CD1-CG 4.45Å; W435-M439 HydrophobicContact CD2-CG 3.85Å; W435-M439 HydrophobicContact CE3-CG 3.76Å; W435-M439 HydrophobicContact CH2-CE 3.68Å; W435-M439 HydrophobicContact CH2-CG 3.58Å; W435-M439 HydrophobicContact CH2-SD 3.96Å; W435-M439 HydrophobicContact CZ2-CE 4.02Å; W435-M439 HydrophobicContact CZ2-CG 3.65Å; W435-M439 HydrophobicContact CZ2-SD 3.79Å; W435-M439 HydrophobicContact CZ3-CB 4.49Å; W435-M439 HydrophobicContact CZ3-CE 4.4Å; W435-M439 HydrophobicContact CZ3-CG 3.64Å; W435-M439 WeakPolarHBondContact O-CB 2.96Å; W435-M439 VanDerWaalsContact O-CG 3.31Å; W435-M439 WeakPolarHBondContact O-CG 3.5Å; W435-M439 PolarHBondContact O-N 3.48Å; V436-M439 PolarHBondContact O-N 3.41Å; M439-A441 VanDerWaalsContact C-N 3.34Å; M439-I442 WeakPolarHBondContact O-CB 3.18Å; M439-I442 WeakPolarHBondContact O-CD1 3.3Å; M439-I442 WeakPolarHBondContact O-CG1 3.45Å; M439-I442 PolarHBondContact O-N 2.91Å
440	L	84.9	Confident	64.7	Low	32 Å²	32	68.7 Å²	68.7	17%	0.168	39%	0.388	C	S	.	.	H	α-helix	trans	-80.4	-14.8	-177.5	-69.3	175.1	0	0	0	113.8	L240 L243 R244 F374 V436 I442	L240-L440 HydrophobicContact CD1-CD2 4.38Å; L243-L440 HydrophobicContact CB-CD2 3.9Å; L243-L440 HydrophobicContact CB-CG 4.44Å; R244-L440 HydrophobicContact CG-CD2 4.16Å; F374-L440 HydrophobicContact CE1-CD1 3.43Å; F374-L440 VanDerWaalsContact CE1-CD1 3.43Å; F374-L440 HydrophobicContact CZ-CD1 3.73Å; V436-L440 HydrophobicContact CG1-CD1 3.55Å; V436-L440 HydrophobicContact CG1-CG 4.1Å; V436-L440 WeakPolarHBondContact O-CB 3.31Å; V436-L440 WeakPolarHBondContact O-CG 3.41Å; V436-L440 PolarHBondContact O-N 3.01Å; L440-I442 PolarHBondContact O-N 2.83Å
441	A	69.8	Low	61.4	Low	50 Å²	50	75.7 Å²	75.7	41%	0.413	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-5.8	168.1	0	0	0	0	0	113.3	K215 E437 M439	K215-A441 HydrophobicContact CD-CB 4.36Å; K215-A441 PolarHBondContact NZ-O 3.44Å; E437-A441 WeakPolarHBondContact O-CB 3.39Å; E437-A441 PolarHBondContact O-N 2.83Å; M439-A441 VanDerWaalsContact C-N 3.34Å
442	I	52.9	Low	58.2	Low	8 Å²	8	76.7 Å²	76.7	4%	0.041	45%	0.447	C	S	.	.	S	Bend	trans	-80.3	109.8	168.5	-52.8	164.7	0	0	0	108.3	P213 L214 K215 L240 R244 M439 L440	P213-I442 HydrophobicContact CG-CG2 3.99Å; P213-I442 WeakPolarHBondContact O-CD1 3.48Å; P213-I442 VanDerWaalsContact O-CG1 3.31Å; P213-I442 WeakPolarHBondContact O-CG1 3.42Å; P213-I442 WeakPolarHBondContact O-CG2 3.23Å; L214-I442 HydrophobicContact CD2-CD1 4.34Å; K215-I442 HydrophobicContact CB-CD1 4.44Å; K215-I442 HydrophobicContact CB-CG1 3.98Å; K215-I442 HydrophobicContact CD-CG1 4.02Å; K215-I442 HydrophobicContact CG-CG1 3.86Å; L240-I442 HydrophobicContact CD1-CD1 4.21Å; L240-I442 HydrophobicContact CD2-CD1 3.66Å; L240-I442 HydrophobicContact CD2-CG2 4.48Å; R244-I442 PolarHBondContact NH2-O 3.08Å; M439-I442 WeakPolarHBondContact O-CB 3.18Å; M439-I442 WeakPolarHBondContact O-CD1 3.3Å; M439-I442 WeakPolarHBondContact O-CG1 3.45Å; M439-I442 PolarHBondContact O-N 2.91Å; L440-I442 PolarHBondContact O-N 2.83Å
443	Q	39.6	Very low	54.9	Low	127 Å²	127	80.7 Å²	80.7	59%	0.593	48%	0.48	S	S	*	.			trans	-67.3	154	178.9	-74.6	-161.7	18.1	0	0	113	R244 P466	R244-Q443 PolarHBondContact NH2-O 2.97Å; Q443-P466 HydrophobicContact CB-CG 3.84Å; Q443-P466 HydrophobicContact CG-CG 3.86Å
444	S	31.3	Very low	51.9	Low	82 Å²	82	82.3 Å²	82.3	57%	0.573	49%	0.493	S	S	*	.			trans	-64.2	135.9	178.8	-53.5	0	0	0	0	111.8
445	D	29	Very low	48.9	Very low	137 Å²	137	85.1 Å²	85.1	73%	0.733	52%	0.519	S	S	*	.			trans	-94.7	110.4	158.9	-160.3	4.8	0	0	0	105.6	S447	D445-S447 PolarHBondContact O-N 3.27Å
446	P	28.3	Very low	45.5	Very low	90 Å²	90	89.6 Å²	89.6	58%	0.584	56%	0.556	S	S	*	*			trans	-89.3	81	-172.9	33.4	-30	0	0	0	110.1
447	S	25.4	Very low	42.3	Very low	111 Å²	111	97.4 Å²	97.4	78%	0.776	59%	0.592	S	S	*	*			trans	-118.9	9.5	168.2	60	0	0	0	0	114	D445	D445-S447 PolarHBondContact O-N 3.27Å
448	G	23.3	Very low	39.2	Very low	63 Å²	63	99.3 Å²	99.3	65%	0.649	61%	0.613	S	S	*	*			trans	-125.6	63.1	-175.2	0	0	0	0	0	114.9
449	F	22.9	Very low	36.1	Very low	174 Å²	174	104.9 Å²	104.9	76%	0.763	64%	0.64	S	S	*	*			trans	-123.6	122.4	159.8	-77	-72.4	0	0	0	110.2	T451	F449-T451 PolarHBondContact O-N 2.89Å
450	P	27.9	Very low	33	Very low	116 Å²	116	110 Å²	110	75%	0.753	68%	0.676	S	S	*	*			trans	-72.4	126.9	179.6	27.8	-30.2	0	0	0	110.5	T452	P450-T452 PolarHBondContact O-N 3.17Å
451	T	24.8	Very low	30.1	Very low	146 Å²	146	114.4 Å²	114.4	90%	0.896	71%	0.706	S	S	*	*			trans	-48.4	109.7	172.5	24.5	0	0	0	0	112.6	F449	F449-T451 PolarHBondContact O-N 2.89Å
452	T	29.5	Very low	27.9	Very low	140 Å²	140	115.6 Å²	115.6	86%	0.859	72%	0.716	S	S	*	*			trans	-91.9	124.5	154.5	43.7	0	0	0	0	108.6	P450	P450-T452 PolarHBondContact O-N 3.17Å
453	A	26.9	Very low	26.4	Very low	86 Å²	86	122.5 Å²	122.5	71%	0.711	75%	0.752	S	S	*	*			trans	-61.7	162.7	-179.8	0	0	0	0	0	113
454	D	29.8	Very low	25.7	Very low	155 Å²	155	122 Å²	122	83%	0.829	76%	0.762	S	S	*	*			trans	81.3	80.8	165.7	-54.6	-21.6	0	0	0	118
455	S	30.1	Very low	25.4	Very low	120 Å²	120	121.7 Å²	121.7	84%	0.839	77%	0.765	S	S	*	*				-179.5	133.2	126.1	44.1	0	0	0	0	111.2	H457	S455-H457 PolarHBondContact O-N 3.48Å
456	A	23.9	Very low	25.4	Very low	94 Å²	94	118.6 Å²	118.6	78%	0.777	75%	0.752	S	S	*	*			trans	-77.7	97.1	-174.6	0	0	0	0	0	111.9
457	H	26.3	Very low	25.7	Very low	164 Å²	164	116.2 Å²	116.2	76%	0.759	75%	0.745	S	S	*	*			trans	-151.8	125.8	151.5	-80.3	-60.8	0	0	0	108.8	S455 M459	S455-H457 PolarHBondContact O-N 3.48Å; H457-M459 PolarHBondContact O-N 2.93Å
458	P	23.6	Very low	26.2	Very low	131 Å²	131	115 Å²	115	85%	0.851	72%	0.723	S	S	*	*			trans	-75.4	78.3	176.6	31.5	-30.8	0	0	0	108.6	S460	P458-S460 PolarHBondContact O-N 2.73Å; P458-S460 VanDerWaalsContact O-N 3.12Å
459	M	20.9	Very low	26.9	Very low	176 Å²	176	115 Å²	115	87%	0.867	71%	0.711	S	S	*	*			trans	-67.8	106.7	166.7	-78.3	-107.5	-83.7	0	0	107.5	H457	H457-M459 PolarHBondContact O-N 2.93Å
460	S	22.4	Very low	27.9	Very low	108 Å²	108	109.3 Å²	109.3	76%	0.755	70%	0.697	S	S	*	*			trans	-55.6	146.5	177.7	-135.5	0	0	0	0	111	P458 A462	P458-S460 PolarHBondContact O-N 2.73Å; P458-S460 VanDerWaalsContact O-N 3.12Å; S460-A462 PolarHBondContact O-N 3.05Å; S460-A462 VanDerWaalsContact O-N 3.08Å
461	P	23.7	Very low	28.9	Very low	124 Å²	124	105.9 Å²	105.9	81%	0.805	67%	0.669	S	S	*	*			trans	-71.4	108.2	-166.1	-9.4	25.8	0	0	0	111.1
462	A	22.9	Very low	30	Very low	75 Å²	75	99.3 Å²	99.3	62%	0.62	63%	0.628	S	S	*	*			trans	-77.6	146.6	173.8	0	0	0	0	0	111.4	S460	S460-A462 PolarHBondContact O-N 3.05Å; S460-A462 VanDerWaalsContact O-N 3.08Å
463	L	22.8	Very low	31	Very low	154 Å²	154	95.9 Å²	95.9	81%	0.806	61%	0.607	S	S	*	*			trans	74.6	58.4	163.9	-62.4	159.4	0	0	0	116.4
464	S	24.1	Very low	32.5	Very low	115 Å²	115	93.7 Å²	93.7	80%	0.804	58%	0.582	S	S	*	*			trans	-49.2	139.9	153.3	-54.6	0	0	0	0	111
465	A	24	Very low	33.9	Very low	76 Å²	76	86.3 Å²	86.3	63%	0.628	54%	0.542	S	S	*	.			trans	-30.6	152.4	179.2	0	0	0	0	0	115.6	G467	A465-G467 PolarHBondContact O-N 2.87Å
466	P	30.6	Very low	35.1	Very low	72 Å²	72	81.4 Å²	81.4	47%	0.468	51%	0.506	S	S	.	.			trans	-73.8	52.3	155.7	42.7	-41.8	0	0	0	107.6	Q443 R468	Q443-P466 HydrophobicContact CB-CG 3.84Å; Q443-P466 HydrophobicContact CG-CG 3.86Å; P466-R468 PolarHBondContact O-N 3.26Å
467	G	33.3	Very low	36.8	Very low	41 Å²	41	81.9 Å²	81.9	42%	0.423	49%	0.493	S	S	.	.			trans	-46.1	131.6	149.9	0	0	0	0	0	105	A465 P469	A465-G467 PolarHBondContact O-N 2.87Å; G467-P469 VanDerWaalsContact O-CA 3.3Å; G467-P469 WeakPolarHBondContact O-CA 3.46Å
468	R	36	Very low	38.3	Very low	85 Å²	85	75.1 Å²	75.1	32%	0.321	46%	0.461	S	S	.	.	S	Bend	trans	21.9	82.7	149.5	-151	-163.1	-158.7	152.5	-2.2	109.9	P466 A470 L472 T473 L476	P466-R468 PolarHBondContact O-N 3.26Å; R468-A470 PolarHBondContact O-N 2.81Å; R468-L472 HydrophobicContact CB-CB 4.32Å; R468-L472 HydrophobicContact CG-CB 3.57Å; R468-L472 HydrophobicContact CG-CD2 3.75Å; R468-L472 HydrophobicContact CG-CG 4.24Å; R468-T473 PolarHBondContact O-OG1 2.86Å; R468-L476 VanDerWaalsContact NH2-CD1 3.28Å
469	P	39.5	Very low	39.4	Very low	62 Å²	62	69.4 Å²	69.4	40%	0.403	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-29.8	125.7	-158.3	-29.3	13.8	0	0	0	111	G467 Y471 L472	G467-P469 VanDerWaalsContact O-CA 3.3Å; G467-P469 WeakPolarHBondContact O-CA 3.46Å; P469-Y471 HydrophobicContact CB-CD1 3.54Å; P469-Y471 HydrophobicContact CB-CE1 3.23Å; P469-Y471 HydrophobicContact CB-CG 4.43Å; P469-Y471 HydrophobicContact CG-CE1 3.96Å; P469-Y471 CarbonylContact O-C 3.58Å; P469-Y471 WeakPolarHBondContact O-CA 3.44Å; P469-Y471 PolarHBondContact O-N 2.96Å; P469-L472 HydrophobicContact CB-CD1 3.51Å; P469-L472 VanDerWaalsContact CD-CD1 3.49Å; P469-L472 HydrophobicContact CG-CD1 3.35Å; P469-L472 WeakPolarHBondContact O-CA 3.44Å; P469-L472 WeakPolarHBondContact O-CB 3.45Å; P469-L472 PolarHBondContact O-N 2.83Å
470	A	42.7	Very low	40.7	Very low	55 Å²	55	64.5 Å²	64.5	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-38.2	-33.1	-163.2	0	0	0	0	0	115.7	R468 T473 K474 A850	R468-A470 PolarHBondContact O-N 2.81Å; A470-T473 WeakPolarHBondContact O-CB 3.01Å; A470-T473 PolarHBondContact O-N 2.88Å; A470-T473 VanDerWaalsContact O-N 3.11Å; A470-K474 PolarHBondContact O-N 3.31Å; A470-K474 VanDerWaalsContact O-N 3.11Å; A470-A850 CarbonylContact C-O 3.6Å; A470-A850 HydrophobicContact CB-CB 4.47Å
471	Y	49.1	Very low	42.2	Very low	44 Å²	44	62.3 Å²	62.3	17%	0.173	38%	0.38	C	S	.	.	H	α-helix	trans	-55.7	-42.9	166.8	77.1	-100.6	0	0	0	116.3	P469 T473 K474 V475 A850 A852 L853	P469-Y471 HydrophobicContact CB-CD1 3.54Å; P469-Y471 HydrophobicContact CB-CE1 3.23Å; P469-Y471 HydrophobicContact CB-CG 4.43Å; P469-Y471 HydrophobicContact CG-CE1 3.96Å; P469-Y471 CarbonylContact O-C 3.58Å; P469-Y471 WeakPolarHBondContact O-CA 3.44Å; P469-Y471 PolarHBondContact O-N 2.96Å; Y471-T473 PolarHBondContact O-N 2.98Å; Y471-K474 PolarHBondContact O-N 3.46Å; Y471-V475 WeakPolarHBondContact O-CB 3.31Å; Y471-V475 WeakPolarHBondContact O-CG2 3.47Å; Y471-V475 PolarHBondContact O-N 2.97Å; Y471-A850 WeakPolarHBondContact CA-O 3.46Å; Y471-A850 WeakPolarHBondContact CB-O 3.46Å; Y471-A850 PolarHBondContact N-O 3.45Å; Y471-A852 VanDerWaalsContact CD1-O 3.29Å; Y471-A852 WeakPolarHBondContact CD1-O 3.4Å; Y471-L853 HydrophobicContact CD2-CD2 4.15Å; Y471-L853 HydrophobicContact CE2-CD2 4.35Å
472	L	48	Very low	43.7	Very low	8 Å²	8	56.9 Å²	56.9	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-58.5	-36.1	172.4	-79.7	95.3	0	0	0	111.4	R468 P469 L476 L627	R468-L472 HydrophobicContact CB-CB 4.32Å; R468-L472 HydrophobicContact CG-CB 3.57Å; R468-L472 HydrophobicContact CG-CD2 3.75Å; R468-L472 HydrophobicContact CG-CG 4.24Å; P469-L472 HydrophobicContact CB-CD1 3.51Å; P469-L472 VanDerWaalsContact CD-CD1 3.49Å; P469-L472 HydrophobicContact CG-CD1 3.35Å; P469-L472 WeakPolarHBondContact O-CA 3.44Å; P469-L472 WeakPolarHBondContact O-CB 3.45Å; P469-L472 PolarHBondContact O-N 2.83Å; L472-L476 WeakPolarHBondContact O-CD1 3.36Å; L472-L476 WeakPolarHBondContact O-CG 3.23Å; L472-L476 PolarHBondContact O-N 3.31Å; L472-L627 HydrophobicContact CB-CD2 4Å; L472-L627 HydrophobicContact CD2-CB 4.1Å; L472-L627 HydrophobicContact CD2-CD1 3.5Å; L472-L627 VanDerWaalsContact CD2-CD1 3.5Å; L472-L627 HydrophobicContact CD2-CD2 3.33Å; L472-L627 HydrophobicContact CD2-CG 3.78Å; L472-L627 HydrophobicContact CG-CD2 3.59Å
473	T	51.2	Low	44.9	Very low	68 Å²	68	53.8 Å²	53.8	42%	0.417	32%	0.317	S	S	.	.	H	α-helix	trans	-66.4	-48	176.2	-54.4	0	0	0	0	110	R468 A470 Y471 V475 L476 E477	R468-T473 PolarHBondContact O-OG1 2.86Å; A470-T473 WeakPolarHBondContact O-CB 3.01Å; A470-T473 PolarHBondContact O-N 2.88Å; A470-T473 VanDerWaalsContact O-N 3.11Å; Y471-T473 PolarHBondContact O-N 2.98Å; T473-V475 PolarHBondContact O-N 2.95Å; T473-L476 WeakPolarHBondContact O-CA 3.33Å; T473-L476 WeakPolarHBondContact O-CB 3.39Å; T473-L476 PolarHBondContact O-N 2.99Å; T473-E477 PolarHBondContact O-N 2.76Å
474	K	58.3	Low	46	Very low	40 Å²	40	55 Å²	55	17%	0.174	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-40.5	174.6	-91.7	-173.2	159.7	-172	0	114.4	A470 Y471 L476 E477 H478 F644 E805 Q851	A470-K474 PolarHBondContact O-N 3.31Å; A470-K474 VanDerWaalsContact O-N 3.11Å; Y471-K474 PolarHBondContact O-N 3.46Å; K474-L476 PolarHBondContact O-N 2.96Å; K474-L476 VanDerWaalsContact O-N 3.14Å; K474-E477 WeakPolarHBondContact O-CB 3.48Å; K474-E477 PolarHBondContact O-N 3.46Å; K474-H478 PolarHBondContact O-N 3.49Å; K474-F644 HydrophobicContact CB-CE2 4.24Å; K474-F644 HydrophobicContact CB-CZ 4.08Å; K474-E805 IonicContact NZ-OE1 3.88Å; K474-E805 PolarHBondContact NZ-OE1 3.37Å; K474-Q851 HydrophobicContact CD-CG 3.76Å
475	V	58.6	Low	47	Very low	1 Å²	1	56.4 Å²	56.4	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-53.4	-35.3	172.5	158.8	0	0	0	0	110.7	Y471 T473 L627 L630 F644	Y471-V475 WeakPolarHBondContact O-CB 3.31Å; Y471-V475 WeakPolarHBondContact O-CG2 3.47Å; Y471-V475 PolarHBondContact O-N 2.97Å; T473-V475 PolarHBondContact O-N 2.95Å; V475-L627 HydrophobicContact CG1-CD2 4.34Å; V475-L630 HydrophobicContact CB-CD1 4.27Å; V475-L630 HydrophobicContact CG1-CD1 3.16Å; V475-L630 HydrophobicContact CG2-CD1 4.08Å; V475-F644 VanDerWaalsContact CA-CE2 3.44Å; V475-F644 HydrophobicContact CB-CD2 4.32Å; V475-F644 HydrophobicContact CB-CE2 4.11Å; V475-F644 HydrophobicContact CG2-CD1 4.33Å; V475-F644 HydrophobicContact CG2-CD2 3.67Å; V475-F644 HydrophobicContact CG2-CE1 4.19Å; V475-F644 HydrophobicContact CG2-CE2 3.54Å; V475-F644 HydrophobicContact CG2-CG 4.08Å; V475-F644 HydrophobicContact CG2-CZ 3.8Å
476	L	54.6	Low	48	Very low	16 Å²	16	54.1 Å²	54.1	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-81.5	-14.5	179.1	-63.9	156.5	0	0	0	113.8	R468 L472 T473 K474 K479 V1159	R468-L476 VanDerWaalsContact NH2-CD1 3.28Å; L472-L476 WeakPolarHBondContact O-CD1 3.36Å; L472-L476 WeakPolarHBondContact O-CG 3.23Å; L472-L476 PolarHBondContact O-N 3.31Å; T473-L476 WeakPolarHBondContact O-CA 3.33Å; T473-L476 WeakPolarHBondContact O-CB 3.39Å; T473-L476 PolarHBondContact O-N 2.99Å; K474-L476 PolarHBondContact O-N 2.96Å; K474-L476 VanDerWaalsContact O-N 3.14Å; L476-K479 HydrophobicContact CB-CD 4.32Å; L476-K479 HydrophobicContact CD2-CD 4.12Å; L476-K479 WeakPolarHBondContact O-CB 3.28Å; L476-K479 WeakPolarHBondContact O-CD 3.35Å; L476-K479 WeakPolarHBondContact O-CG 3.3Å; L476-V1159 HydrophobicContact CB-CG1 4.32Å; L476-V1159 HydrophobicContact CD1-CG1 4.34Å
477	E	60.2	Low	48.6	Very low	104 Å²	104	54.8 Å²	54.8	49%	0.486	27%	0.27	S	S	.	.	H	α-helix	trans	-74.6	-35.5	169.9	-64.9	165.5	-166	0	0	110.2	T473 K474 K479	T473-E477 PolarHBondContact O-N 2.76Å; K474-E477 WeakPolarHBondContact O-CB 3.48Å; K474-E477 PolarHBondContact O-N 3.46Å; E477-K479 VanDerWaalsContact C-N 3.27Å; E477-K479 PolarHBondContact O-N 2.96Å
478	H	58.1	Low	48.8	Very low	22 Å²	22	54.1 Å²	54.1	10%	0.102	26%	0.258	C	S	.	.	S	Bend	trans	-86.6	7.7	179.8	-72	-22.2	0	0	0	114.7	K474 E480 T481 L482 F644 L647 C648 E651	K474-H478 PolarHBondContact O-N 3.49Å; H478-E480 PolarHBondContact O-N 2.89Å; H478-T481 PolarHBondContact O-N 3.15Å; H478-L482 HydrophobicContact CB-CD1 4.39Å; H478-L482 WeakPolarHBondContact O-CG 3.45Å; H478-L482 PolarHBondContact O-N 3.22Å; H478-L482 VanDerWaalsContact O-N 3.12Å; H478-F644 AromaticContact CD2-CD2 3.86Å; H478-F644 AromaticContact CD2-CE2 3.78Å; H478-L647 HydrophobicContact CB-CB 4.27Å; H478-L647 HydrophobicContact CB-CD1 3.72Å; H478-L647 VanDerWaalsContact CD2-CB 3.47Å; H478-L647 WeakPolarHBondContact CD2-CB 3.24Å; H478-C648 PolarHBondContact NE2-N 3.36Å; H478-E651 IonicContact CE1-OE2 2.89Å; H478-E651 PolarHBondContact CE1-OE2 3.19Å; H478-E651 IonicContact NE2-OE2 2.72Å
479	K	47.3	Very low	48.7	Very low	12 Å²	12	56.3 Å²	56.3	5%	0.052	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-41.7	-161.3	71.6	177.3	-69.3	-155.1	0	112.5	L476 E477 T481 L482 Q483 A1155 W1156	L476-K479 HydrophobicContact CB-CD 4.32Å; L476-K479 HydrophobicContact CD2-CD 4.12Å; L476-K479 WeakPolarHBondContact O-CB 3.28Å; L476-K479 WeakPolarHBondContact O-CD 3.35Å; L476-K479 WeakPolarHBondContact O-CG 3.3Å; E477-K479 VanDerWaalsContact C-N 3.27Å; E477-K479 PolarHBondContact O-N 2.96Å; K479-T481 VanDerWaalsContact C-N 3.27Å; K479-T481 PolarHBondContact O-N 3.34Å; K479-L482 PolarHBondContact O-N 2.93Å; K479-Q483 PolarHBondContact O-N 3.42Å; K479-A1155 PolarHBondContact NZ-O 3.13Å; K479-W1156 VanDerWaalsContact CA-NE1 3.27Å; K479-W1156 VanDerWaalsContact CB-CD1 3.46Å; K479-W1156 HydrophobicContact CB-CG 4.41Å; K479-W1156 HydrophobicContact CB-CZ2 4.38Å; K479-W1156 HydrophobicContact CD-CB 4.38Å; K479-W1156 HydrophobicContact CD-CD2 4.22Å; K479-W1156 HydrophobicContact CD-CG 3.84Å; K479-W1156 WeakPolarHBondContact CD-O 3.33Å; K479-W1156 VanDerWaalsContact CE-CA 3.47Å; K479-W1156 VanDerWaalsContact CE-NE1 3.33Å; K479-W1156 WeakPolarHBondContact CE-O 3.27Å; K479-W1156 HydrophobicContact CG-CB 4.49Å; K479-W1156 HydrophobicContact CG-CD2 4.35Å; K479-W1156 HydrophobicContact CG-CG 3.78Å; K479-W1156 PolarHBondContact NZ-O 3.33Å; K479-W1156 PolarHBondContact O-NE1 3.47Å
480	E	47.1	Very low	48.8	Very low	72 Å²	72	60.4 Å²	60.4	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-40.4	-178	-168.5	-171	177.4	0	0	111.1	H478 Q483 R484 L1153 W1156	H478-E480 PolarHBondContact O-N 2.89Å; E480-Q483 PolarHBondContact O-N 3.29Å; E480-R484 WeakPolarHBondContact O-CG 3.19Å; E480-R484 PolarHBondContact O-N 2.99Å; E480-R484 IonicContact OE1-CZ 2.67Å; E480-R484 IonicContact OE1-NE 3.83Å; E480-R484 PolarHBondContact OE1-NE 3.06Å; E480-R484 IonicContact OE1-NH2 3.51Å; E480-R484 PolarHBondContact OE1-NH2 2.84Å; E480-L1153 HydrophobicContact CG-CD2 4Å; E480-W1156 VanDerWaalsContact N-CD1 3.27Å
481	T	54.3	Low	48.9	Very low	63 Å²	63	58.6 Å²	58.6	39%	0.387	27%	0.266	S	S	.	.	H	α-helix	trans	-69.1	-40.4	179	-47.1	0	0	0	0	111.9	H478 K479 L647	H478-T481 PolarHBondContact O-N 3.15Å; K479-T481 VanDerWaalsContact C-N 3.27Å; K479-T481 PolarHBondContact O-N 3.34Å; T481-L647 HydrophobicContact CG2-CD1 3.97Å; T481-L647 HydrophobicContact CG2-CD2 3.5Å; T481-L647 HydrophobicContact CG2-CG 4.39Å
482	L	54.9	Low	49	Very low	9 Å²	9	57.9 Å²	57.9	5%	0.047	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-42	176.3	-68.9	174.2	0	0	0	111.4	H478 K479 R485 F486 L640 E643 L647	H478-L482 HydrophobicContact CB-CD1 4.39Å; H478-L482 WeakPolarHBondContact O-CG 3.45Å; H478-L482 PolarHBondContact O-N 3.22Å; H478-L482 VanDerWaalsContact O-N 3.12Å; K479-L482 PolarHBondContact O-N 2.93Å; L482-R485 PolarHBondContact O-N 2.93Å; L482-F486 HydrophobicContact CD2-CE2 4.32Å; L482-F486 VanDerWaalsContact O-CD2 3.31Å; L482-F486 WeakPolarHBondContact O-CD2 3.48Å; L482-F486 PolarHBondContact O-N 3.21Å; L482-L640 HydrophobicContact CB-CD2 4.36Å; L482-L640 HydrophobicContact CD2-CD2 4.42Å; L482-E643 HydrophobicContact CD2-CB 3.82Å; L482-L647 HydrophobicContact CD2-CD1 3.8Å; L482-L647 HydrophobicContact CG-CD1 3.92Å
483	Q	47.4	Very low	49.3	Very low	11 Å²	11	62 Å²	62	5%	0.051	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-54.3	176.1	-81.2	-171.3	-42.7	0	0	113.1	K479 E480 R485 F486 F487 A1152 W1156	K479-Q483 PolarHBondContact O-N 3.42Å; E480-Q483 PolarHBondContact O-N 3.29Å; Q483-R485 PolarHBondContact O-N 2.77Å; Q483-F486 PolarHBondContact O-N 3.19Å; Q483-F487 HydrophobicContact CB-CE2 3.56Å; Q483-F487 HydrophobicContact CB-CZ 3.76Å; Q483-F487 HydrophobicContact CG-CE2 3.98Å; Q483-F487 HydrophobicContact CG-CZ 3.73Å; Q483-F487 WeakPolarHBondContact O-CD2 3.46Å; Q483-F487 WeakPolarHBondContact O-CE2 3.2Å; Q483-F487 WeakPolarHBondContact O-CG 3.36Å; Q483-A1152 PolarHBondContact NE2-O 3.03Å; Q483-W1156 VanDerWaalsContact CD-CD1 3.41Å; Q483-W1156 VanDerWaalsContact CD-CG 3.43Å; Q483-W1156 VanDerWaalsContact CD-CZ2 3.48Å; Q483-W1156 VanDerWaalsContact CD-NE1 3.27Å; Q483-W1156 HydrophobicContact CG-CD2 3.89Å; Q483-W1156 HydrophobicContact CG-CE3 4.43Å; Q483-W1156 HydrophobicContact CG-CG 4.35Å; Q483-W1156 HydrophobicContact CG-CH2 3.78Å; Q483-W1156 HydrophobicContact CG-CZ2 3.28Å; Q483-W1156 HydrophobicContact CG-CZ3 4.34Å; Q483-W1156 VanDerWaalsContact CG-NE1 3.35Å; Q483-W1156 VanDerWaalsContact NE2-CE2 3.3Å; Q483-W1156 VanDerWaalsContact OE1-CD2 3.3Å
484	R	46.5	Very low	49.5	Very low	180 Å²	180	63.2 Å²	63.2	68%	0.679	30%	0.298	S	S	*	.	H	α-helix	trans	-57.2	-26.1	-175	-70.7	-179.5	-174.2	-158.1	3.2	113	E480	E480-R484 WeakPolarHBondContact O-CG 3.19Å; E480-R484 PolarHBondContact O-N 2.99Å; E480-R484 IonicContact OE1-CZ 2.67Å; E480-R484 IonicContact OE1-NE 3.83Å; E480-R484 PolarHBondContact OE1-NE 3.06Å; E480-R484 IonicContact OE1-NH2 3.51Å; E480-R484 PolarHBondContact OE1-NH2 2.84Å
485	R	44.5	Very low	49.7	Very low	144 Å²	144	63.4 Å²	63.4	54%	0.543	30%	0.299	S	S	.	.	H	α-helix	trans	-91.9	-25	-172.3	-138.8	169	-172.6	174.9	-6.8	114.5	L482 Q483 E643	L482-R485 PolarHBondContact O-N 2.93Å; Q483-R485 PolarHBondContact O-N 2.77Å; R485-E643 IonicContact CZ-OE2 3.81Å; R485-E643 IonicContact NE-OE2 2.76Å; R485-E643 IonicContact NH1-OE2 2.75Å; R485-E643 PolarHBondContact NH1-OE2 3.04Å; R485-E643 IonicContact NH2-OE2 2.59Å
486	F	46.9	Very low	50.1	Low	28 Å²	28	72.7 Å²	72.7	12%	0.123	34%	0.343	C	S	.	.	S	Bend	trans	-107.9	15.7	-170.6	-77.5	-72.7	0	0	0	115.2	L482 Q483 P488 Q639 L640 E643	L482-F486 HydrophobicContact CD2-CE2 4.32Å; L482-F486 VanDerWaalsContact O-CD2 3.31Å; L482-F486 WeakPolarHBondContact O-CD2 3.48Å; L482-F486 PolarHBondContact O-N 3.21Å; Q483-F486 PolarHBondContact O-N 3.19Å; F486-P488 VanDerWaalsContact O-CD 3.3Å; F486-P488 WeakPolarHBondContact O-CD 3.12Å; F486-Q639 HydrophobicContact CE1-CB 3.58Å; F486-Q639 VanDerWaalsContact CZ-C 3.42Å; F486-Q639 HydrophobicContact CZ-CB 3.9Å; F486-Q639 WeakPolarHBondContact CZ-O 3.31Å; F486-L640 HydrophobicContact CD1-CG 4.47Å; F486-L640 HydrophobicContact CD2-CD2 3.56Å; F486-L640 HydrophobicContact CD2-CG 3.94Å; F486-L640 HydrophobicContact CE1-CG 4.47Å; F486-L640 HydrophobicContact CE2-CB 4.42Å; F486-L640 HydrophobicContact CE2-CD2 3.79Å; F486-L640 HydrophobicContact CE2-CG 3.93Å; F486-L640 HydrophobicContact CG-CD2 4.16Å; F486-L640 HydrophobicContact CG-CG 4.23Å; F486-L640 HydrophobicContact CZ-CG 4.21Å; F486-E643 HydrophobicContact CE2-CB 3.62Å; F486-E643 HydrophobicContact CE2-CG 3.47Å; F486-E643 VanDerWaalsContact CE2-CG 3.47Å; F486-E643 HydrophobicContact CZ-CB 3.88Å; F486-E643 HydrophobicContact CZ-CG 3.31Å
487	F	42.6	Very low	50.6	Low	85 Å²	85	73.4 Å²	73.4	37%	0.373	35%	0.354	S	S	.	.			trans	-109.7	91.5	177	-56.3	-32.6	0	0	0	111.5	Q483 I1054	Q483-F487 HydrophobicContact CB-CE2 3.56Å; Q483-F487 HydrophobicContact CB-CZ 3.76Å; Q483-F487 HydrophobicContact CG-CE2 3.98Å; Q483-F487 HydrophobicContact CG-CZ 3.73Å; Q483-F487 WeakPolarHBondContact O-CD2 3.46Å; Q483-F487 WeakPolarHBondContact O-CE2 3.2Å; Q483-F487 WeakPolarHBondContact O-CG 3.36Å; F487-I1054 HydrophobicContact CB-CB 4.31Å; F487-I1054 HydrophobicContact CD1-CB 3.37Å; F487-I1054 HydrophobicContact CD1-CD1 3.59Å; F487-I1054 HydrophobicContact CD1-CG1 3.45Å; F487-I1054 VanDerWaalsContact CD1-CG1 3.45Å; F487-I1054 HydrophobicContact CD1-CG2 4.3Å; F487-I1054 HydrophobicContact CE1-CB 3.82Å; F487-I1054 HydrophobicContact CE1-CD1 3.08Å; F487-I1054 HydrophobicContact CE1-CG1 3.55Å; F487-I1054 HydrophobicContact CE1-CG2 4.45Å; F487-I1054 HydrophobicContact CG-CB 3.92Å; F487-I1054 HydrophobicContact CG-CG1 4.46Å; F487-I1054 HydrophobicContact CZ-CD1 3.85Å
488	P	37.3	Very low	50.9	Low	27 Å²	27	68.5 Å²	68.5	18%	0.175	33%	0.331	C	S	.	.			trans	-107.3	174.5	-177.6	14.4	9.1	0	0	0	113.2	F486 R1051 I1052 I1053	F486-P488 VanDerWaalsContact O-CD 3.3Å; F486-P488 WeakPolarHBondContact O-CD 3.12Å; P488-R1051 HydrophobicContact CG-CB 3.77Å; P488-R1051 HydrophobicContact CG-CG 4.28Å; P488-I1052 WeakPolarHBondContact CD-O 3.42Å; P488-I1053 HydrophobicContact CB-CG1 4.47Å; P488-I1053 HydrophobicContact CG-CG1 4.14Å; P488-I1053 VanDerWaalsContact O-CG1 3.32Å; P488-I1053 WeakPolarHBondContact O-CG1 3.09Å; P488-I1053 WeakPolarHBondContact O-CG2 3.44Å
489	E	33.8	Very low	51.1	Low	132 Å²	132	69.9 Å²	69.9	62%	0.617	34%	0.337	S	S	*	.			trans	-109.8	-2.6	-171.9	-67.8	176.9	156.7	0	0	115.7	L491	E489-L491 PolarHBondContact O-N 3.37Å
490	K	41	Very low	52	Low	148 Å²	148	74.1 Å²	74.1	64%	0.643	36%	0.361	S	S	*	.	H	α-helix	trans	-72.1	-20.4	-160.9	-93.3	-168.1	174.8	-170.9	0	118.6	F492 S493	K490-F492 VanDerWaalsContact C-N 3.34Å; K490-F492 PolarHBondContact O-N 3.08Å; K490-S493 WeakPolarHBondContact O-CB 3.3Å; K490-S493 PolarHBondContact O-N 3.33Å; K490-S493 PolarHBondContact O-OG 3.13Å
491	L	44.3	Very low	52.9	Low	16 Å²	16	71.3 Å²	71.3	8%	0.084	35%	0.348	C	S	.	.	H	α-helix	trans	-67.7	-36.5	-173.6	-178	71.1	0	0	0	111.8	E489 S493 D494 H495 L498 F516 C534 I1053	E489-L491 PolarHBondContact O-N 3.37Å; L491-S493 PolarHBondContact O-N 3.34Å; L491-D494 PolarHBondContact O-N 3.47Å; L491-H495 PolarHBondContact O-N 3.22Å; L491-L498 HydrophobicContact CD2-CD2 3.99Å; L491-L498 HydrophobicContact CG-CD2 3.94Å; L491-F516 HydrophobicContact CD2-CB 4.12Å; L491-F516 HydrophobicContact CD2-CD1 3.68Å; L491-F516 HydrophobicContact CD2-CE1 4.46Å; L491-F516 HydrophobicContact CD2-CG 4.23Å; L491-C534 HydrophobicContact CD2-CB 4.31Å; L491-I1053 HydrophobicContact CB-CD1 3.27Å; L491-I1053 HydrophobicContact CB-CG1 4.49Å
492	F	52.5	Low	53.4	Low	29 Å²	29	68.5 Å²	68.5	13%	0.127	33%	0.33	C	S	.	.	H	α-helix	trans	-69.9	-25.4	178.7	-61.6	-74.2	0	0	0	112.3	K490 D494 L498 E499 F516 I1053 T1055 L1057	K490-F492 VanDerWaalsContact C-N 3.34Å; K490-F492 PolarHBondContact O-N 3.08Å; F492-D494 VanDerWaalsContact C-N 3.3Å; F492-D494 PolarHBondContact O-N 3.28Å; F492-L498 HydrophobicContact CD1-CG 4.47Å; F492-L498 HydrophobicContact CE1-CG 4.36Å; F492-E499 HydrophobicContact CD1-CB 3.54Å; F492-E499 HydrophobicContact CD1-CG 3.93Å; F492-E499 HydrophobicContact CE1-CB 3.78Å; F492-E499 HydrophobicContact CE1-CG 3.86Å; F492-E499 HydrophobicContact CG-CB 4.48Å; F492-F516 HydrophobicContact CE1-CE1 4.14Å; F492-F516 AromaticContact CE1-CZ 3.97Å; F492-F516 HydrophobicContact CE1-CZ 3.97Å; F492-F516 HydrophobicContact CE2-CE2 4.41Å; F492-F516 HydrophobicContact CE2-CZ 4.43Å; F492-F516 HydrophobicContact CZ-CD1 4.47Å; F492-F516 HydrophobicContact CZ-CD2 4.35Å; F492-F516 AromaticContact CZ-CE1 3.8Å; F492-F516 HydrophobicContact CZ-CE1 3.8Å; F492-F516 AromaticContact CZ-CE2 3.71Å; F492-F516 HydrophobicContact CZ-CE2 3.71Å; F492-F516 AromaticContact CZ-CZ 3.4Å; F492-F516 HydrophobicContact CZ-CZ 3.4Å; F492-F516 VanDerWaalsContact CZ-CZ 3.4Å; F492-I1053 HydrophobicContact CD2-CG2 4.48Å; F492-I1053 HydrophobicContact CE2-CG2 3.96Å; F492-T1055 HydrophobicContact CD2-CG2 4.22Å; F492-T1055 VanDerWaalsContact CE2-CB 3.45Å; F492-T1055 HydrophobicContact CE2-CG2 3.67Å; F492-T1055 VanDerWaalsContact CE2-OG1 3.24Å; F492-T1055 WeakPolarHBondContact CE2-OG1 3.48Å; F492-T1055 HydrophobicContact CZ-CG2 4.32Å; F492-L1057 HydrophobicContact CZ-CD2 4.46Å
493	S	54.2	Low	53.9	Low	94 Å²	94	71.3 Å²	71.3	66%	0.657	34%	0.342	S	S	*	.	H	α-helix	trans	-67.7	-30.4	176.3	-43.4	0	0	0	0	112.8	K490 L491	K490-S493 WeakPolarHBondContact O-CB 3.3Å; K490-S493 PolarHBondContact O-N 3.33Å; K490-S493 PolarHBondContact O-OG 3.13Å; L491-S493 PolarHBondContact O-N 3.34Å
494	D	55.5	Low	54.7	Low	94 Å²	94	75.9 Å²	75.9	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-91.9	-15.9	-175.7	-67.7	-19.3	0	0	0	112.9	L491 F492	L491-D494 PolarHBondContact O-N 3.47Å; F492-D494 VanDerWaalsContact C-N 3.3Å; F492-D494 PolarHBondContact O-N 3.28Å
495	H	63	Low	55.5	Low	44 Å²	44	68.3 Å²	68.3	20%	0.204	34%	0.343	C	S	.	.	S	Bend	trans	-134.6	88.3	-174.3	-61.9	-58.1	0	0	0	112.2	L491 G497 L498 L533	L491-H495 PolarHBondContact O-N 3.22Å; H495-G497 PolarHBondContact O-N 3.18Å; H495-L498 HydrophobicContact CB-CB 3.97Å; H495-L498 HydrophobicContact CB-CD2 4.1Å; H495-L498 VanDerWaalsContact O-CB 3.31Å; H495-L498 WeakPolarHBondContact O-CB 3.47Å; H495-L498 PolarHBondContact O-N 3.43Å; H495-L533 VanDerWaalsContact CE1-CD1 3.47Å; H495-L533 WeakPolarHBondContact CE1-CD1 3.47Å
496	E	66.2	Low	56.2	Low	197 Å²	197	62.6 Å²	62.6	92%	0.921	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	133.3	175.9	-163.1	177.7	-173.7	0	0	111.3	L498	E496-L498 VanDerWaalsContact C-N 3.31Å; E496-L498 PolarHBondContact O-N 3.47Å
497	G	65.9	Low	56.7	Low	31 Å²	31	67.6 Å²	67.6	32%	0.32	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-7.3	-178.9	0	0	0	0	0	116.1	H495 E499 L501	H495-G497 PolarHBondContact O-N 3.18Å; G497-E499 VanDerWaalsContact C-N 3.31Å; G497-E499 PolarHBondContact O-N 2.96Å; G497-L501 WeakPolarHBondContact O-CB 3.31Å; G497-L501 PolarHBondContact O-N 2.92Å
498	L	65.4	Low	57.3	Low	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.2	-40.5	174.5	174.4	63.4	0	0	0	111.7	L491 F492 H495 E496 L502 V550 L593	L491-L498 HydrophobicContact CD2-CD2 3.99Å; L491-L498 HydrophobicContact CG-CD2 3.94Å; F492-L498 HydrophobicContact CD1-CG 4.47Å; F492-L498 HydrophobicContact CE1-CG 4.36Å; H495-L498 HydrophobicContact CB-CB 3.97Å; H495-L498 HydrophobicContact CB-CD2 4.1Å; H495-L498 VanDerWaalsContact O-CB 3.31Å; H495-L498 WeakPolarHBondContact O-CB 3.47Å; H495-L498 PolarHBondContact O-N 3.43Å; E496-L498 VanDerWaalsContact C-N 3.31Å; E496-L498 PolarHBondContact O-N 3.47Å; L498-L502 HydrophobicContact CD1-CD1 3.92Å; L498-L502 HydrophobicContact CD1-CG 4.44Å; L498-L502 HydrophobicContact CG-CD1 4.32Å; L498-L502 PolarHBondContact O-N 2.87Å; L498-L502 VanDerWaalsContact O-N 3.15Å; L498-V550 HydrophobicContact CD1-CG1 4.17Å; L498-V550 HydrophobicContact CD1-CG2 4.11Å; L498-L593 HydrophobicContact CB-CD1 4.03Å; L498-L593 HydrophobicContact CD1-CD1 3.68Å; L498-L593 HydrophobicContact CG-CD1 4.41Å
499	E	62.4	Low	58.1	Low	51 Å²	51	69.7 Å²	69.7	24%	0.238	37%	0.371	C	S	.	.	H	α-helix	trans	-63.3	-53.1	178.4	-160.7	179.9	155.8	0	0	111.6	F492 G497 L501 L502 K503 L1057	F492-E499 HydrophobicContact CD1-CB 3.54Å; F492-E499 HydrophobicContact CD1-CG 3.93Å; F492-E499 HydrophobicContact CE1-CB 3.78Å; F492-E499 HydrophobicContact CE1-CG 3.86Å; F492-E499 HydrophobicContact CG-CB 4.48Å; G497-E499 VanDerWaalsContact C-N 3.31Å; G497-E499 PolarHBondContact O-N 2.96Å; E499-L501 VanDerWaalsContact C-N 3.31Å; E499-L501 PolarHBondContact O-N 3.36Å; E499-L502 PolarHBondContact O-N 3.43Å; E499-K503 HydrophobicContact CG-CD 4.4Å; E499-K503 WeakPolarHBondContact O-CG 3.47Å; E499-K503 PolarHBondContact O-N 2.79Å; E499-K503 WeakPolarHBondContact OE1-CE 3.44Å; E499-K503 IonicContact OE1-NZ 3.97Å; E499-K503 PolarHBondContact OE1-NZ 2.85Å; E499-L1057 HydrophobicContact CG-CD2 3.3Å; E499-L1057 WeakPolarHBondContact OE1-CD2 3.5Å
500	D	67	Low	58.8	Low	102 Å²	102	67 Å²	67	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-40	-179.4	-65.2	-26.2	0	0	0	111.5	L502 K503 T504	D500-L502 VanDerWaalsContact C-N 3.34Å; D500-L502 PolarHBondContact O-N 3.05Å; D500-K503 PolarHBondContact O-N 2.76Å; D500-T504 VanDerWaalsContact O-CB 3.32Å; D500-T504 WeakPolarHBondContact O-CB 3.39Å; D500-T504 PolarHBondContact O-N 2.99Å; D500-T504 PolarHBondContact O-OG1 2.97Å
501	L	65.8	Low	59.6	Low	13 Å²	13	63 Å²	63	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-46.2	175.9	178.5	63.8	0	0	0	111.2	G497 E499 T504 Q505 I591 L593	G497-L501 WeakPolarHBondContact O-CB 3.31Å; G497-L501 PolarHBondContact O-N 2.92Å; E499-L501 VanDerWaalsContact C-N 3.31Å; E499-L501 PolarHBondContact O-N 3.36Å; L501-T504 PolarHBondContact O-N 2.69Å; L501-Q505 HydrophobicContact CD1-CG 4.34Å; L501-Q505 WeakPolarHBondContact O-CB 3.26Å; L501-Q505 WeakPolarHBondContact O-CG 3.46Å; L501-Q505 PolarHBondContact O-N 2.8Å; L501-I591 HydrophobicContact CD1-CG2 3.94Å; L501-I591 HydrophobicContact CD2-CG2 3.66Å; L501-I591 HydrophobicContact CG-CG2 3.95Å; L501-L593 HydrophobicContact CB-CD2 4.37Å; L501-L593 HydrophobicContact CD2-CD1 4.39Å; L501-L593 HydrophobicContact CD2-CD2 3.37Å; L501-L593 HydrophobicContact CD2-CG 3.52Å; L501-L593 HydrophobicContact CG-CD2 4.49Å
502	L	65	Low	60.5	Low	3 Å²	3	63.7 Å²	63.7	2%	0.016	36%	0.361	C	S	.	.	H	α-helix	trans	-72.8	-38.3	179.7	-73.4	169.7	0	0	0	112.5	L498 E499 D500 T504 Q505 T506 F516 A536 Y548 I591	L498-L502 HydrophobicContact CD1-CD1 3.92Å; L498-L502 HydrophobicContact CD1-CG 4.44Å; L498-L502 HydrophobicContact CG-CD1 4.32Å; L498-L502 PolarHBondContact O-N 2.87Å; L498-L502 VanDerWaalsContact O-N 3.15Å; E499-L502 PolarHBondContact O-N 3.43Å; D500-L502 VanDerWaalsContact C-N 3.34Å; D500-L502 PolarHBondContact O-N 3.05Å; L502-T504 PolarHBondContact O-N 2.89Å; L502-Q505 PolarHBondContact O-N 2.92Å; L502-T506 WeakPolarHBondContact O-CB 3.4Å; L502-T506 WeakPolarHBondContact O-CG2 3.31Å; L502-T506 PolarHBondContact O-N 3.4Å; L502-T506 PolarHBondContact O-OG1 3.42Å; L502-F516 HydrophobicContact CD1-CD1 4.34Å; L502-F516 HydrophobicContact CD1-CE1 3.12Å; L502-F516 HydrophobicContact CD1-CZ 3.32Å; L502-A536 HydrophobicContact CD1-CB 4.35Å; L502-Y548 HydrophobicContact CD2-CG 4.27Å; L502-I591 HydrophobicContact CD2-CD1 3.78Å
503	K	65.4	Low	60.9	Low	69 Å²	69	63.2 Å²	63.2	30%	0.3	36%	0.359	S	S	.	.	H	α-helix	trans	-57.6	-39.1	170.1	-76.2	179	-178.4	170	0	111.4	E499 D500 T506 L1057	E499-K503 HydrophobicContact CG-CD 4.4Å; E499-K503 WeakPolarHBondContact O-CG 3.47Å; E499-K503 PolarHBondContact O-N 2.79Å; E499-K503 WeakPolarHBondContact OE1-CE 3.44Å; E499-K503 IonicContact OE1-NZ 3.97Å; E499-K503 PolarHBondContact OE1-NZ 2.85Å; D500-K503 PolarHBondContact O-N 2.76Å; K503-T506 VanDerWaalsContact O-O 3.06Å; K503-T506 PolarHBondContact O-OG1 2.82Å; K503-L1057 HydrophobicContact CG-CD1 3.95Å; K503-L1057 HydrophobicContact CG-CD2 4.24Å
504	T	63.6	Low	61.4	Low	106 Å²	106	59.4 Å²	59.4	65%	0.65	33%	0.332	S	S	*	.	H	α-helix	trans	-71.1	-33.6	178.2	-52.8	0	0	0	0	112.4	D500 L501 L502	D500-T504 VanDerWaalsContact O-CB 3.32Å; D500-T504 WeakPolarHBondContact O-CB 3.39Å; D500-T504 PolarHBondContact O-N 2.99Å; D500-T504 PolarHBondContact O-OG1 2.97Å; L501-T504 PolarHBondContact O-N 2.69Å; L502-T504 PolarHBondContact O-N 2.89Å
505	Q	62.2	Low	62	Low	21 Å²	21	55.2 Å²	55.2	10%	0.098	31%	0.31	C	S	.	.	H	α-helix	trans	-86.6	-24.3	-178.5	-67.8	-67.7	-24.5	0	0	113.5	L501 L502 Y548 I591 S598	L501-Q505 HydrophobicContact CD1-CG 4.34Å; L501-Q505 WeakPolarHBondContact O-CB 3.26Å; L501-Q505 WeakPolarHBondContact O-CG 3.46Å; L501-Q505 PolarHBondContact O-N 2.8Å; L502-Q505 PolarHBondContact O-N 2.92Å; Q505-Y548 HydrophobicContact CB-CE1 4.32Å; Q505-Y548 PolarHBondContact O-OH 2.92Å; Q505-I591 HydrophobicContact CB-CD1 4.08Å; Q505-I591 HydrophobicContact CG-CD1 3.91Å; Q505-S598 PolarHBondContact NE2-O 2.77Å
506	T	60.1	Low	62.1	Low	25 Å²	25	53.1 Å²	53.1	15%	0.153	30%	0.3	C	S	.	.	S	Bend	trans	-84.2	117.7	173.9	51.2	0	0	0	0	108.7	L502 K503 L538 Y548	L502-T506 WeakPolarHBondContact O-CB 3.4Å; L502-T506 WeakPolarHBondContact O-CG2 3.31Å; L502-T506 PolarHBondContact O-N 3.4Å; L502-T506 PolarHBondContact O-OG1 3.42Å; K503-T506 VanDerWaalsContact O-O 3.06Å; K503-T506 PolarHBondContact O-OG1 2.82Å; T506-L538 HydrophobicContact CG2-CD2 4.37Å; T506-Y548 HydrophobicContact CG2-CE2 3.92Å
507	H	58.3	Low	62.3	Low	133 Å²	133	43.9 Å²	43.9	62%	0.616	26%	0.257	S	S	*	.			trans	-65.6	151.1	174.6	-70.7	60.8	0	0	0	109.1	C509	H507-C509 PolarHBondContact O-N 2.81Å; H507-C509 PolarHBondContact O-SG 2.88Å
508	P	54.2	Low	62.5	Low	117 Å²	117	45.3 Å²	45.3	76%	0.76	25%	0.253	S	S	*	.			trans	-54.2	109.4	174.3	-21.4	30.8	0	0	0	109.9
509	C	53.4	Low	62.9	Low	39 Å²	39	45.4 Å²	45.4	26%	0.264	25%	0.254	S	S	.	.			trans	-106	138.4	174.3	-65	0	0	0	0	107.3	H507 H511 A540	H507-C509 PolarHBondContact O-N 2.81Å; H507-C509 PolarHBondContact O-SG 2.88Å; C509-H511 VanDerWaalsContact C-N 3.3Å; C509-H511 PolarHBondContact O-N 2.82Å; C509-A540 HydrophobicContact CB-CB 4.04Å
510	S	49.4	Very low	63.6	Low	76 Å²	76	43 Å²	43	53%	0.531	24%	0.243	S	C	.	.	S	Bend	trans	-63.5	-36.2	-176.6	53.8	0	0	0	0	112.9
511	H	57.7	Low	64.4	Low	62 Å²	62	38.2 Å²	38.2	29%	0.287	22%	0.217	S	C	.	.	S	Bend	trans	-155.4	119.2	-174.1	-64.9	89.7	0	0	0	110.3	C509 A540 V541	C509-H511 VanDerWaalsContact C-N 3.3Å; C509-H511 PolarHBondContact O-N 2.82Å; H511-A540 WeakPolarHBondContact O-CA 3.39Å; H511-V541 HydrophobicContact CB-CG2 4.42Å; H511-V541 PolarHBondContact O-N 2.83Å
512	G	62.7	Low	64.6	Low	31 Å²	31	38 Å²	38	32%	0.32	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	172.8	179.8	0	0	0	0	0	114.3	V539	G512-V539 CarbonylContact C-O 3.58Å; G512-V539 WeakPolarHBondContact CA-O 3.42Å
513	I	62.3	Low	64.7	Low	19 Å²	19	38 Å²	38	10%	0.097	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.6	-178.6	-55.3	177.5	0	0	0	108.6	I515 V539 L622 I1054 A1152	I513-I515 HydrophobicContact CG2-CG1 4.09Å; I513-V539 PolarHBondContact N-O 2.76Å; I513-V539 PolarHBondContact O-N 3.18Å; I513-L622 HydrophobicContact CD1-CD1 3.9Å; I513-I1054 HydrophobicContact CG2-CG2 3.41Å; I513-I1054 VanDerWaalsContact CG2-CG2 3.41Å; I513-A1152 HydrophobicContact CD1-CB 3.84Å
514	V	64.3	Low	65	Low	15 Å²	15	35 Å²	35	9%	0.091	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.6	170.2	-174.6	0	0	0	0	109.1	F516 A536 L537 L538	V514-F516 HydrophobicContact CB-CE2 3.94Å; V514-F516 HydrophobicContact CG1-CD2 3.91Å; V514-F516 HydrophobicContact CG1-CE2 3.4Å; V514-F516 HydrophobicContact CG1-CZ 3.92Å; V514-A536 HydrophobicContact CG1-CB 3.85Å; V514-L537 CarbonylContact C-O 3.55Å; V514-L537 WeakPolarHBondContact CA-O 3.37Å; V514-L538 HydrophobicContact CG2-CD1 3.7Å
515	I	68.5	Low	65.3	Low	6 Å²	6	32.2 Å²	32.2	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	103.5	-174.8	-50.9	-179.3	0	0	0	108.8	I513 W520 A536 L537 V539 L622 L625 I1052 I1054	I513-I515 HydrophobicContact CG2-CG1 4.09Å; I515-W520 HydrophobicContact CB-CZ2 4.22Å; I515-W520 HydrophobicContact CG2-CZ2 3.68Å; I515-W520 PolarHBondContact O-NE1 3.19Å; I515-A536 WeakPolarHBondContact O-CA 3.48Å; I515-L537 HydrophobicContact CB-CB 4.38Å; I515-L537 PolarHBondContact N-O 3.43Å; I515-L537 PolarHBondContact O-N 3.32Å; I515-V539 HydrophobicContact CD1-CG2 4.48Å; I515-L622 HydrophobicContact CD1-CD2 3.76Å; I515-L625 HydrophobicContact CD1-CD2 3.35Å; I515-I1052 HydrophobicContact CG2-CD1 4.37Å; I515-I1052 HydrophobicContact CG2-CG1 4.44Å; I515-I1052 HydrophobicContact CG2-CG2 3.75Å; I515-I1054 HydrophobicContact CB-CD1 4.46Å; I515-I1054 HydrophobicContact CB-CG1 4.46Å; I515-I1054 HydrophobicContact CD1-CD1 4.13Å; I515-I1054 HydrophobicContact CG1-CD1 3.93Å; I515-I1054 HydrophobicContact CG1-CG1 4.29Å; I515-I1054 HydrophobicContact CG2-CD1 3.99Å; I515-I1054 HydrophobicContact CG2-CG1 3.98Å
516	F	64.6	Low	66	Low	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	138	-179.6	-68.6	-104.9	0	0	0	110.8	L491 F492 L502 V514 D535 A536 I1052 I1053	L491-F516 HydrophobicContact CD2-CB 4.12Å; L491-F516 HydrophobicContact CD2-CD1 3.68Å; L491-F516 HydrophobicContact CD2-CE1 4.46Å; L491-F516 HydrophobicContact CD2-CG 4.23Å; F492-F516 HydrophobicContact CE1-CE1 4.14Å; F492-F516 AromaticContact CE1-CZ 3.97Å; F492-F516 HydrophobicContact CE1-CZ 3.97Å; F492-F516 HydrophobicContact CE2-CE2 4.41Å; F492-F516 HydrophobicContact CE2-CZ 4.43Å; F492-F516 HydrophobicContact CZ-CD1 4.47Å; F492-F516 HydrophobicContact CZ-CD2 4.35Å; F492-F516 AromaticContact CZ-CE1 3.8Å; F492-F516 HydrophobicContact CZ-CE1 3.8Å; F492-F516 AromaticContact CZ-CE2 3.71Å; F492-F516 HydrophobicContact CZ-CE2 3.71Å; F492-F516 AromaticContact CZ-CZ 3.4Å; F492-F516 HydrophobicContact CZ-CZ 3.4Å; F492-F516 VanDerWaalsContact CZ-CZ 3.4Å; L502-F516 HydrophobicContact CD1-CD1 4.34Å; L502-F516 HydrophobicContact CD1-CE1 3.12Å; L502-F516 HydrophobicContact CD1-CZ 3.32Å; V514-F516 HydrophobicContact CB-CE2 3.94Å; V514-F516 HydrophobicContact CG1-CD2 3.91Å; V514-F516 HydrophobicContact CG1-CE2 3.4Å; V514-F516 HydrophobicContact CG1-CZ 3.92Å; F516-D535 CarbonylContact C-O 3.54Å; F516-D535 WeakPolarHBondContact CA-O 3.01Å; F516-A536 HydrophobicContact CD1-CB 3.8Å; F516-A536 HydrophobicContact CE1-CB 3.82Å; F516-A536 HydrophobicContact CG-CB 4.21Å; F516-A536 HydrophobicContact CZ-CB 4.17Å; F516-I1052 CarbonylContact O-C 3.56Å; F516-I1052 WeakPolarHBondContact O-CA 3.39Å; F516-I1052 VanDerWaalsContact O-CB 3.31Å; F516-I1052 WeakPolarHBondContact O-CB 2.84Å; F516-I1052 WeakPolarHBondContact O-CG1 3.47Å; F516-I1052 WeakPolarHBondContact O-CG2 3.42Å; F516-I1053 HydrophobicContact CB-CB 4.16Å; F516-I1053 VanDerWaalsContact CB-O 3.26Å; F516-I1053 WeakPolarHBondContact CB-O 3.21Å; F516-I1053 VanDerWaalsContact CD2-O 3.23Å; F516-I1053 WeakPolarHBondContact CD2-O 3.4Å; F516-I1053 PolarHBondContact N-O 3.09Å; F516-I1053 VanDerWaalsContact N-O 3.12Å; F516-I1053 PolarHBondContact O-N 2.78Å
517	S	70.8	Confident	66.7	Low	3 Å²	3	38.2 Å²	38.2	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.7	166.5	177.2	0	0	0	0	109.4	S519 D523 C534 D535	S517-S519 PolarHBondContact O-N 2.82Å; S517-S519 PolarHBondContact OG-N 3.31Å; S517-S519 VanDerWaalsContact OG-N 3.11Å; S517-S519 PolarHBondContact OG-O 3.42Å; S517-D523 WeakPolarHBondContact CB-OD2 3.09Å; S517-D523 PolarHBondContact OG-OD2 3.34Å; S517-C534 CarbonylContact O-C 3.54Å; S517-C534 WeakPolarHBondContact O-CA 3.5Å; S517-C534 VanDerWaalsContact O-CB 3.26Å; S517-C534 WeakPolarHBondContact O-CB 3.2Å; S517-D535 PolarHBondContact N-O 3.42Å; S517-D535 PolarHBondContact O-N 2.93Å
518	R	69.2	Low	67.5	Low	60 Å²	60	34.5 Å²	34.5	23%	0.226	22%	0.215	C	C	.	.	S	Bend	trans	-67.6	-27.7	168.5	-90	-80.3	-106.6	-170.9	-0.5	112.8	L533 C1050	R518-L533 WeakPolarHBondContact CD-O 3.37Å; R518-L533 PolarHBondContact NH1-O 2.89Å; R518-C1050 HydrophobicContact CB-CB 3.9Å; R518-C1050 HydrophobicContact CG-CB 3.83Å; R518-C1050 WeakPolarHBondContact CG-SG 3.49Å
519	S	74.7	Confident	68.8	Low	3 Å²	3	32 Å²	32	2%	0.021	19%	0.193	C	C	.	.			trans	-164.3	106.4	171	175.6	0	0	0	0	109.4	S517 A521 G522 D523 D535 Y562	S517-S519 PolarHBondContact O-N 2.82Å; S517-S519 PolarHBondContact OG-N 3.31Å; S517-S519 VanDerWaalsContact OG-N 3.11Å; S517-S519 PolarHBondContact OG-O 3.42Å; S519-A521 PolarHBondContact O-N 3.24Å; S519-A521 WeakPolarHBondContact OG-CB 3.47Å; S519-A521 PolarHBondContact OG-N 2.73Å; S519-G522 PolarHBondContact O-N 3.37Å; S519-G522 VanDerWaalsContact O-N 3.14Å; S519-G522 PolarHBondContact OG-N 3.48Å; S519-D523 PolarHBondContact O-N 3Å; S519-D535 WeakPolarHBondContact CA-OD2 3.35Å; S519-Y562 PolarHBondContact OG-OH 3.12Å
520	W	77.3	Confident	70	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.7	171.2	-93.9	105.6	0	0	0	111	I515 D523 I524 D535 L537 L547 T566 L570 L625 I1052	I515-W520 HydrophobicContact CB-CZ2 4.22Å; I515-W520 HydrophobicContact CG2-CZ2 3.68Å; I515-W520 PolarHBondContact O-NE1 3.19Å; W520-D523 HydrophobicContact CE3-CB 4.14Å; W520-D523 CarbonylContact O-C 3.6Å; W520-D523 PolarHBondContact O-N 2.85Å; W520-I524 HydrophobicContact CE3-CG2 4.43Å; W520-I524 VanDerWaalsContact O-CG1 3.3Å; W520-I524 WeakPolarHBondContact O-CG1 3.35Å; W520-I524 PolarHBondContact O-N 3.22Å; W520-I524 VanDerWaalsContact O-N 3.09Å; W520-D535 HydrophobicContact CB-CB 3.96Å; W520-D535 HydrophobicContact CG-CB 4.12Å; W520-D535 PolarHBondContact N-OD2 3.19Å; W520-L537 HydrophobicContact CH2-CD2 4.33Å; W520-L537 HydrophobicContact CZ2-CB 4.19Å; W520-L537 HydrophobicContact CZ2-CD2 3.88Å; W520-L547 HydrophobicContact CB-CD1 4.16Å; W520-L547 HydrophobicContact CG-CD1 3.99Å; W520-T566 HydrophobicContact CB-CG2 3.82Å; W520-L570 HydrophobicContact CE3-CD1 3.93Å; W520-L570 HydrophobicContact CE3-CD2 4.38Å; W520-L570 HydrophobicContact CZ3-CD1 3.89Å; W520-L625 HydrophobicContact CH2-CD1 3.45Å; W520-L625 VanDerWaalsContact CH2-CD1 3.45Å; W520-L625 HydrophobicContact CH2-CD2 3.77Å; W520-L625 HydrophobicContact CH2-CG 3.69Å; W520-L625 HydrophobicContact CZ2-CD1 4.33Å; W520-L625 HydrophobicContact CZ2-CD2 4.14Å; W520-L625 HydrophobicContact CZ3-CD1 3.74Å; W520-L625 HydrophobicContact CZ3-CG 4.37Å; W520-I1052 HydrophobicContact CZ2-CD1 4.46Å
521	A	82.3	Confident	71.6	Confident	1 Å²	1	38 Å²	38	1%	0.008	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-50.2	172.3	0	0	0	0	0	111.3	S519 D523 I524 G525 L526 Y562 T566	S519-A521 PolarHBondContact O-N 3.24Å; S519-A521 WeakPolarHBondContact OG-CB 3.47Å; S519-A521 PolarHBondContact OG-N 2.73Å; A521-D523 VanDerWaalsContact C-N 3.31Å; A521-D523 PolarHBondContact O-N 3.11Å; A521-I524 WeakPolarHBondContact O-CG1 3.29Å; A521-I524 PolarHBondContact O-N 3.37Å; A521-I524 VanDerWaalsContact O-N 3.11Å; A521-G525 PolarHBondContact O-N 3.47Å; A521-L526 CarbonylContact C-O 3.22Å; A521-L526 HydrophobicContact CB-CB 3.95Å; A521-L526 HydrophobicContact CB-CD1 4.33Å; A521-L526 WeakPolarHBondContact O-CA 3.23Å; A521-L526 WeakPolarHBondContact O-CB 3.33Å; A521-L526 PolarHBondContact O-N 2.87Å; A521-Y562 HydrophobicContact CB-CE1 4.39Å; A521-Y562 HydrophobicContact CB-CE2 3.69Å; A521-Y562 VanDerWaalsContact CB-CZ 3.5Å; A521-Y562 WeakPolarHBondContact CB-OH 2.97Å; A521-T566 HydrophobicContact CB-CG2 4.06Å; A521-T566 WeakPolarHBondContact CB-OG1 3.4Å
522	G	69.9	Low	72.8	Confident	10 Å²	10	35.4 Å²	35.4	10%	0.103	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-59	-43.3	172.8	0	0	0	0	0	112	S519 I524 G525	S519-G522 PolarHBondContact O-N 3.37Å; S519-G522 VanDerWaalsContact O-N 3.14Å; S519-G522 PolarHBondContact OG-N 3.48Å; G522-I524 PolarHBondContact O-N 3.33Å; G522-I524 VanDerWaalsContact O-N 3.08Å; G522-G525 PolarHBondContact O-N 3.38Å
523	D	68.2	Low	73.5	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.011	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-65.8	-6.1	176.5	-64.7	-24.1	0	0	0	114.5	S517 S519 W520 A521 S632 S634	S517-D523 WeakPolarHBondContact CB-OD2 3.09Å; S517-D523 PolarHBondContact OG-OD2 3.34Å; S519-D523 PolarHBondContact O-N 3Å; W520-D523 HydrophobicContact CE3-CB 4.14Å; W520-D523 CarbonylContact O-C 3.6Å; W520-D523 PolarHBondContact O-N 2.85Å; A521-D523 VanDerWaalsContact C-N 3.31Å; A521-D523 PolarHBondContact O-N 3.11Å; D523-S632 WeakPolarHBondContact CA-OG 3.47Å; D523-S632 WeakPolarHBondContact O-CB 3.47Å; D523-S632 PolarHBondContact O-OG 2.81Å; D523-S634 WeakPolarHBondContact OD1-CB 3.02Å; D523-S634 PolarHBondContact OD1-OG 3.46Å
524	I	72.5	Confident	74.2	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.026	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-122.8	14.9	172.3	66.6	-170.2	0	0	0	112.7	W520 A521 G522 L526 T566 Q569 L570 R573 V628	W520-I524 HydrophobicContact CE3-CG2 4.43Å; W520-I524 VanDerWaalsContact O-CG1 3.3Å; W520-I524 WeakPolarHBondContact O-CG1 3.35Å; W520-I524 PolarHBondContact O-N 3.22Å; W520-I524 VanDerWaalsContact O-N 3.09Å; A521-I524 WeakPolarHBondContact O-CG1 3.29Å; A521-I524 PolarHBondContact O-N 3.37Å; A521-I524 VanDerWaalsContact O-N 3.11Å; G522-I524 PolarHBondContact O-N 3.33Å; G522-I524 VanDerWaalsContact O-N 3.08Å; I524-L526 HydrophobicContact CD1-CD1 3.95Å; I524-L526 HydrophobicContact CD1-CG 4.49Å; I524-L526 HydrophobicContact CG1-CD1 4.01Å; I524-L526 HydrophobicContact CG1-CG 4.01Å; I524-T566 HydrophobicContact CD1-CG2 4.08Å; I524-T566 WeakPolarHBondContact CD1-O 3.26Å; I524-Q569 HydrophobicContact CD1-CB 3.69Å; I524-Q569 HydrophobicContact CG1-CB 4.47Å; I524-L570 HydrophobicContact CD1-CB 4.12Å; I524-L570 HydrophobicContact CG2-CD1 4.07Å; I524-R573 HydrophobicContact CB-CG 4.37Å; I524-R573 PolarHBondContact O-NH2 3.34Å; I524-V628 HydrophobicContact CG2-CG1 3.91Å
525	G	68.4	Low	75	Confident	48 Å²	48	32.9 Å²	32.9	50%	0.495	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	20.5	175.6	0	0	0	0	0	114.8	A521 G522	A521-G525 PolarHBondContact O-N 3.47Å; G522-G525 PolarHBondContact O-N 3.38Å
526	L	78.3	Confident	75.3	Confident	47 Å²	47	32.6 Å²	32.6	25%	0.246	17%	0.174	C	C	.	.	S	Bend	trans	-91.8	162.1	169.2	-57.2	174.1	0	0	0	110.5	A521 I524 R528 Q569	A521-L526 CarbonylContact C-O 3.22Å; A521-L526 HydrophobicContact CB-CB 3.95Å; A521-L526 HydrophobicContact CB-CD1 4.33Å; A521-L526 WeakPolarHBondContact O-CA 3.23Å; A521-L526 WeakPolarHBondContact O-CB 3.33Å; A521-L526 PolarHBondContact O-N 2.87Å; I524-L526 HydrophobicContact CD1-CD1 3.95Å; I524-L526 HydrophobicContact CD1-CG 4.49Å; I524-L526 HydrophobicContact CG1-CD1 4.01Å; I524-L526 HydrophobicContact CG1-CG 4.01Å; L526-R528 PolarHBondContact O-N 2.99Å; L526-Q569 HydrophobicContact CD1-CB 3.95Å; L526-Q569 HydrophobicContact CD1-CG 3.86Å; L526-Q569 HydrophobicContact CD2-CG 4.15Å; L526-Q569 HydrophobicContact CG-CG 4.48Å
527	T	73	Confident	76.2	Confident	126 Å²	126	32.6 Å²	32.6	77%	0.773	17%	0.174	S	C	*	.	P	Polyproline II helix	trans	-61.7	131	175.2	-44.3	0	0	0	0	110.6
528	R	76.8	Confident	76.6	Confident	55 Å²	55	33 Å²	33	21%	0.208	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-74.1	153.9	173.1	-57.1	175.2	92.9	157.3	13.8	109.5	L526 H881 E882	L526-R528 PolarHBondContact O-N 2.99Å; R528-H881 PolarHBondContact NH1-O 2.84Å; R528-E882 PolarHBondContact NH1-O 3.22Å
529	E	81.6	Confident	77	Confident	64 Å²	64	30.1 Å²	30.1	30%	0.299	17%	0.165	S	C	.	.			trans	-121.6	127	178	175	61.6	-110.7	0	0	109.2	K531 V532 W556 Y562	E529-K531 HydrophobicContact CG-CB 4.08Å; E529-K531 PolarHBondContact O-N 3.39Å; E529-K531 PolarHBondContact OE1-N 2.79Å; E529-V532 HydrophobicContact CB-CB 4.48Å; E529-V532 HydrophobicContact CB-CG2 3.89Å; E529-V532 HydrophobicContact CG-CG2 3.98Å; E529-V532 WeakPolarHBondContact O-CB 3.25Å; E529-V532 PolarHBondContact O-N 2.84Å; E529-V532 VanDerWaalsContact O-N 3.16Å; E529-W556 HydrophobicContact CB-CH2 4.36Å; E529-W556 HydrophobicContact CG-CH2 3.47Å; E529-W556 VanDerWaalsContact CG-CH2 3.47Å; E529-W556 HydrophobicContact CG-CZ2 3.78Å; E529-W556 HydrophobicContact CG-CZ3 3.89Å; E529-Y562 HydrophobicContact CB-CD2 3.85Å; E529-Y562 HydrophobicContact CB-CE2 3.65Å
530	E	77.1	Confident	77	Confident	164 Å²	164	30 Å²	30	77%	0.766	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.4	-175.9	-64.6	-175	166.6	0	0	112.3	V532	E530-V532 PolarHBondContact O-N 2.86Å
531	K	83.8	Confident	77.1	Confident	77 Å²	77	31.7 Å²	31.7	34%	0.335	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-7.6	176.9	-58	-177.1	-177.3	-169.1	0	113.7	E529 L551 T552 W556	E529-K531 HydrophobicContact CG-CB 4.08Å; E529-K531 PolarHBondContact O-N 3.39Å; E529-K531 PolarHBondContact OE1-N 2.79Å; K531-L551 WeakPolarHBondContact O-CA 3.47Å; K531-T552 PolarHBondContact O-N 3.36Å; K531-T552 PolarHBondContact O-OG1 3.24Å; K531-T552 VanDerWaalsContact O-OG1 3.08Å; K531-W556 HydrophobicContact CB-CD2 4.09Å; K531-W556 HydrophobicContact CB-CE3 3.92Å; K531-W556 HydrophobicContact CB-CG 4.43Å; K531-W556 HydrophobicContact CB-CZ3 4.43Å; K531-W556 HydrophobicContact CD-CB 3.74Å; K531-W556 HydrophobicContact CD-CD2 3.74Å; K531-W556 HydrophobicContact CD-CE3 4.41Å; K531-W556 HydrophobicContact CD-CG 3.38Å
532	V	82.2	Confident	77	Confident	8 Å²	8	33.7 Å²	33.7	5%	0.048	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.3	174	176.3	0	0	0	0	108.4	E529 E530 T549 L551 W556 Y562	E529-V532 HydrophobicContact CB-CB 4.48Å; E529-V532 HydrophobicContact CB-CG2 3.89Å; E529-V532 HydrophobicContact CG-CG2 3.98Å; E529-V532 WeakPolarHBondContact O-CB 3.25Å; E529-V532 PolarHBondContact O-N 2.84Å; E529-V532 VanDerWaalsContact O-N 3.16Å; E530-V532 PolarHBondContact O-N 2.86Å; V532-T549 HydrophobicContact CB-CG2 4.43Å; V532-T549 HydrophobicContact CG1-CG2 3.76Å; V532-T549 HydrophobicContact CG2-CG2 3.83Å; V532-L551 HydrophobicContact CG2-CD2 3.85Å; V532-W556 HydrophobicContact CG2-CZ3 4.03Å; V532-Y562 HydrophobicContact CB-CE1 4.4Å; V532-Y562 HydrophobicContact CG1-CE1 4.2Å; V532-Y562 HydrophobicContact CG2-CD1 3.85Å; V532-Y562 HydrophobicContact CG2-CE1 3.63Å; V532-Y562 HydrophobicContact CG2-CE2 4.36Å; V532-Y562 HydrophobicContact CG2-CG 4.3Å
533	L	78	Confident	77.5	Confident	12 Å²	12	34.1 Å²	34.1	6%	0.063	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-51.8	175	-174.8	71.6	0	0	0	110.8	H495 R518 V550 T552 L593	H495-L533 VanDerWaalsContact CE1-CD1 3.47Å; H495-L533 WeakPolarHBondContact CE1-CD1 3.47Å; R518-L533 WeakPolarHBondContact CD-O 3.37Å; R518-L533 PolarHBondContact NH1-O 2.89Å; L533-V550 WeakPolarHBondContact CA-O 3.35Å; L533-V550 HydrophobicContact CB-CB 4.38Å; L533-V550 HydrophobicContact CB-CG1 4.26Å; L533-V550 WeakPolarHBondContact CB-O 3.35Å; L533-V550 HydrophobicContact CD2-CG1 4.04Å; L533-V550 PolarHBondContact N-O 3.21Å; L533-T552 HydrophobicContact CB-CG2 3.7Å; L533-T552 HydrophobicContact CD1-CG2 3.66Å; L533-T552 HydrophobicContact CG-CG2 4.28Å; L533-L593 HydrophobicContact CD2-CD1 3.73Å
534	C	76	Confident	78.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	163.7	178.1	62.9	0	0	0	0	110.4	L491 S517 V550	L491-C534 HydrophobicContact CD2-CB 4.31Å; S517-C534 CarbonylContact O-C 3.54Å; S517-C534 WeakPolarHBondContact O-CA 3.5Å; S517-C534 VanDerWaalsContact O-CB 3.26Å; S517-C534 WeakPolarHBondContact O-CB 3.2Å; C534-V550 PolarHBondContact N-O 3.09Å; C534-V550 PolarHBondContact O-N 3.04Å
535	D	82.3	Confident	79.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.2	168.4	-67.5	-54.1	0	0	0	109.7	F516 S517 S519 W520 L547 Y548 T549	F516-D535 CarbonylContact C-O 3.54Å; F516-D535 WeakPolarHBondContact CA-O 3.01Å; S517-D535 PolarHBondContact N-O 3.42Å; S517-D535 PolarHBondContact O-N 2.93Å; S519-D535 WeakPolarHBondContact CA-OD2 3.35Å; W520-D535 HydrophobicContact CB-CB 3.96Å; W520-D535 HydrophobicContact CG-CB 4.12Å; W520-D535 PolarHBondContact N-OD2 3.19Å; D535-L547 HydrophobicContact CB-CD1 4.05Å; D535-Y548 CarbonylContact C-O 3.47Å; D535-Y548 WeakPolarHBondContact CA-O 3.4Å; D535-T549 VanDerWaalsContact OD1-CA 3.31Å; D535-T549 WeakPolarHBondContact OD1-CA 3.45Å; D535-T549 VanDerWaalsContact OD1-CB 3.22Å; D535-T549 WeakPolarHBondContact OD1-CB 3.46Å; D535-T549 WeakPolarHBondContact OD1-CG2 3.28Å; D535-T549 PolarHBondContact OD1-OG1 3.08Å
536	A	75.4	Confident	79.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	119.9	176.8	0	0	0	0	0	110.2	L502 V514 I515 F516 Y548	L502-A536 HydrophobicContact CD1-CB 4.35Å; V514-A536 HydrophobicContact CG1-CB 3.85Å; I515-A536 WeakPolarHBondContact O-CA 3.48Å; F516-A536 HydrophobicContact CD1-CB 3.8Å; F516-A536 HydrophobicContact CE1-CB 3.82Å; F516-A536 HydrophobicContact CG-CB 4.21Å; F516-A536 HydrophobicContact CZ-CB 4.17Å; A536-Y548 PolarHBondContact N-O 3.07Å; A536-Y548 PolarHBondContact O-N 2.91Å
537	L	82.1	Confident	80.4	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	111.5	-179.4	-177.5	71	0	0	0	110.3	V514 I515 W520 V539 L545 V546 L547 L570 V586 L625	V514-L537 CarbonylContact C-O 3.55Å; V514-L537 WeakPolarHBondContact CA-O 3.37Å; I515-L537 HydrophobicContact CB-CB 4.38Å; I515-L537 PolarHBondContact N-O 3.43Å; I515-L537 PolarHBondContact O-N 3.32Å; W520-L537 HydrophobicContact CH2-CD2 4.33Å; W520-L537 HydrophobicContact CZ2-CB 4.19Å; W520-L537 HydrophobicContact CZ2-CD2 3.88Å; L537-V539 HydrophobicContact CD2-CG2 4.3Å; L537-V539 HydrophobicContact CG-CG2 4.24Å; L537-L545 HydrophobicContact CD1-CB 4.23Å; L537-L545 HydrophobicContact CD1-CD2 4.24Å; L537-L545 HydrophobicContact CD2-CD2 4.44Å; L537-V546 CarbonylContact C-O 3.6Å; L537-V546 WeakPolarHBondContact CA-O 3.35Å; L537-L547 HydrophobicContact CB-CD1 4.33Å; L537-L547 HydrophobicContact CD1-CB 4.2Å; L537-L547 HydrophobicContact CD1-CD1 4.27Å; L537-L570 HydrophobicContact CD1-CD2 3.87Å; L537-L570 HydrophobicContact CD2-CD2 3.88Å; L537-L570 HydrophobicContact CG-CD2 4.49Å; L537-V586 HydrophobicContact CD1-CG1 4.16Å; L537-L625 HydrophobicContact CD2-CD1 3.98Å; L537-L625 HydrophobicContact CD2-CD2 3.88Å
538	L	79.7	Confident	80.8	Confident	11 Å²	11	25.3 Å²	25.3	6%	0.058	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	127.3	172.1	175.3	66.9	0	0	0	110.4	T506 V514 A540 L545 V546 Y548	T506-L538 HydrophobicContact CG2-CD2 4.37Å; V514-L538 HydrophobicContact CG2-CD1 3.7Å; L538-A540 HydrophobicContact CD1-CB 4.17Å; L538-A540 HydrophobicContact CG-CB 4.42Å; L538-L545 WeakPolarHBondContact O-CA 3.39Å; L538-V546 HydrophobicContact CB-CB 4.16Å; L538-V546 HydrophobicContact CD2-CB 4.42Å; L538-V546 HydrophobicContact CD2-CG2 4.23Å; L538-V546 PolarHBondContact N-O 3.46Å; L538-V546 PolarHBondContact O-N 2.99Å; L538-V546 VanDerWaalsContact O-N 3.15Å; L538-Y548 HydrophobicContact CB-CE2 4.05Å; L538-Y548 HydrophobicContact CD2-CE2 4.41Å
539	V	77.6	Confident	81.3	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	108.4	173.1	-176.5	0	0	0	0	108.2	G512 I513 I515 L537 L545 L612 V618 L621 L622	G512-V539 CarbonylContact C-O 3.58Å; G512-V539 WeakPolarHBondContact CA-O 3.42Å; I513-V539 PolarHBondContact N-O 2.76Å; I513-V539 PolarHBondContact O-N 3.18Å; I515-V539 HydrophobicContact CD1-CG2 4.48Å; L537-V539 HydrophobicContact CD2-CG2 4.3Å; L537-V539 HydrophobicContact CG-CG2 4.24Å; V539-L545 HydrophobicContact CG2-CG 4.39Å; V539-L612 HydrophobicContact CG1-CD1 3.74Å; V539-V618 HydrophobicContact CG1-CB 4.45Å; V539-V618 HydrophobicContact CG1-CG1 3.77Å; V539-V618 HydrophobicContact CG1-CG2 4.35Å; V539-L621 HydrophobicContact CG1-CD2 3.57Å; V539-L621 HydrophobicContact CG2-CD2 4.22Å; V539-L622 HydrophobicContact CB-CD2 4.5Å; V539-L622 HydrophobicContact CG1-CD2 4.36Å; V539-L622 HydrophobicContact CG1-CG 4.48Å; V539-L622 HydrophobicContact CG2-CD2 4.37Å
540	A	75.4	Confident	81.3	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	146.8	-174.6	0	0	0	0	0	112.8	C509 H511 L538 S543	C509-A540 HydrophobicContact CB-CB 4.04Å; H511-A540 WeakPolarHBondContact O-CA 3.39Å; L538-A540 HydrophobicContact CD1-CB 4.17Å; L538-A540 HydrophobicContact CG-CB 4.42Å; A540-S543 PolarHBondContact O-N 3.24Å
541	V	79	Confident	81.6	Confident	35 Å²	35	12 Å²	12	21%	0.212	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	137.6	172.9	-175.5	0	0	0	0	109.1	H511 S543 V618	H511-V541 HydrophobicContact CB-CG2 4.42Å; H511-V541 PolarHBondContact O-N 2.83Å; V541-S543 PolarHBondContact O-N 3.04Å; V541-V618 HydrophobicContact CG2-CG2 3.7Å
542	G	80.4	Confident	81.3	Confident	43 Å²	43	11.8 Å²	11.8	44%	0.443	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-0.1	-175.7	0	0	0	0	0	114.6	K611 L612	G542-K611 WeakPolarHBondContact O-CD 3.45Å; G542-K611 PolarHBondContact O-NZ 2.85Å; G542-L612 PolarHBondContact N-O 3.49Å
543	S	79.6	Confident	81.2	Confident	19 Å²	19	13.9 Å²	13.9	13%	0.133	9%	0.09	C	C	.	.	S	Bend	trans	-121.6	149.6	-178.9	-172.4	0	0	0	0	111.5	A540 V541 L612	A540-S543 PolarHBondContact O-N 3.24Å; V541-S543 PolarHBondContact O-N 3.04Å; S543-L612 PolarHBondContact O-N 3Å
544	P	85.8	Confident	80.9	Confident	14 Å²	14	17.7 Å²	17.7	9%	0.091	12%	0.115	C	C	.	.			trans	-67.1	167.7	157.4	-12.6	30.9	0	0	0	110.4	I587 K611	P544-I587 HydrophobicContact CB-CD1 3.87Å; P544-I587 HydrophobicContact CB-CG1 4.28Å; P544-I587 HydrophobicContact CG-CD1 3.87Å; P544-K611 HydrophobicContact CG-CG 3.97Å
545	L	88.7	Confident	81	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	142.5	169.7	-71.4	66.3	0	0	0	109	L537 L538 V539 L574 V584 C585 V586 I587 L612 L621	L537-L545 HydrophobicContact CD1-CB 4.23Å; L537-L545 HydrophobicContact CD1-CD2 4.24Å; L537-L545 HydrophobicContact CD2-CD2 4.44Å; L538-L545 WeakPolarHBondContact O-CA 3.39Å; V539-L545 HydrophobicContact CG2-CG 4.39Å; L545-L574 HydrophobicContact CD2-CD1 4.11Å; L545-V584 HydrophobicContact CD1-CG2 3.79Å; L545-V584 HydrophobicContact CD2-CG2 4.29Å; L545-C585 WeakPolarHBondContact CB-O 3.4Å; L545-C585 PolarHBondContact N-O 3.18Å; L545-V586 HydrophobicContact CB-CG1 4.47Å; L545-V586 HydrophobicContact CB-CG2 4.22Å; L545-V586 HydrophobicContact CD2-CG2 4.09Å; L545-I587 PolarHBondContact O-N 3.31Å; L545-L612 HydrophobicContact CD1-CD1 4.02Å; L545-L612 HydrophobicContact CD1-CD2 4.48Å; L545-L612 HydrophobicContact CD1-CG 4.37Å; L545-L621 HydrophobicContact CD1-CD1 4.29Å; L545-L621 HydrophobicContact CD1-CD2 3.54Å; L545-L621 HydrophobicContact CD2-CD1 4.23Å; L545-L621 HydrophobicContact CD2-CD2 3.7Å; L545-L621 HydrophobicContact CD2-CG 4.4Å; L545-L621 HydrophobicContact CG-CD2 3.81Å
546	V	84.7	Confident	80.8	Confident	12 Å²	12	24 Å²	24	7%	0.073	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	121.5	175.5	-169.3	0	0	0	0	108.9	L537 L538 Y548 I587 R589	L537-V546 CarbonylContact C-O 3.6Å; L537-V546 WeakPolarHBondContact CA-O 3.35Å; L538-V546 HydrophobicContact CB-CB 4.16Å; L538-V546 HydrophobicContact CD2-CB 4.42Å; L538-V546 HydrophobicContact CD2-CG2 4.23Å; L538-V546 PolarHBondContact N-O 3.46Å; L538-V546 PolarHBondContact O-N 2.99Å; L538-V546 VanDerWaalsContact O-N 3.15Å; V546-Y548 HydrophobicContact CB-CD2 4.39Å; V546-Y548 HydrophobicContact CB-CE2 3.8Å; V546-Y548 HydrophobicContact CG1-CD1 4.34Å; V546-Y548 HydrophobicContact CG1-CD2 4.03Å; V546-Y548 HydrophobicContact CG1-CE1 3.93Å; V546-Y548 HydrophobicContact CG1-CE2 3.55Å; V546-Y548 HydrophobicContact CG1-CG 4.42Å; V546-I587 CarbonylContact C-O 3.58Å; V546-I587 WeakPolarHBondContact CA-O 3.45Å; V546-I587 HydrophobicContact CG1-CB 4.37Å; V546-I587 HydrophobicContact CG1-CG2 4.5Å; V546-I587 WeakPolarHBondContact CG1-O 3.46Å; V546-I587 HydrophobicContact CG2-CB 4.35Å; V546-R589 HydrophobicContact CG1-CB 4.32Å; V546-R589 HydrophobicContact CG1-CG 3.57Å
547	L	88.6	Confident	80.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	107.6	175.3	179.9	68.1	0	0	0	108.8	W520 D535 L537 T566 A567 V586 I587 P588 R589	W520-L547 HydrophobicContact CB-CD1 4.16Å; W520-L547 HydrophobicContact CG-CD1 3.99Å; D535-L547 HydrophobicContact CB-CD1 4.05Å; L537-L547 HydrophobicContact CB-CD1 4.33Å; L537-L547 HydrophobicContact CD1-CB 4.2Å; L537-L547 HydrophobicContact CD1-CD1 4.27Å; L547-T566 HydrophobicContact CD2-CG2 3.64Å; L547-A567 HydrophobicContact CD2-CB 4.11Å; L547-V586 HydrophobicContact CB-CG1 3.64Å; L547-I587 PolarHBondContact N-O 2.94Å; L547-P588 CarbonylContact O-C 3.59Å; L547-R589 PolarHBondContact O-N 3.37Å
548	Y	82.8	Confident	80.9	Confident	16 Å²	16	33 Å²	33	6%	0.063	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113	175.2	-62.5	-83	0	0	0	110.3	L502 Q505 T506 D535 A536 L538 V546 R589 I591	L502-Y548 HydrophobicContact CD2-CG 4.27Å; Q505-Y548 HydrophobicContact CB-CE1 4.32Å; Q505-Y548 PolarHBondContact O-OH 2.92Å; T506-Y548 HydrophobicContact CG2-CE2 3.92Å; D535-Y548 CarbonylContact C-O 3.47Å; D535-Y548 WeakPolarHBondContact CA-O 3.4Å; A536-Y548 PolarHBondContact N-O 3.07Å; A536-Y548 PolarHBondContact O-N 2.91Å; L538-Y548 HydrophobicContact CB-CE2 4.05Å; L538-Y548 HydrophobicContact CD2-CE2 4.41Å; V546-Y548 HydrophobicContact CB-CD2 4.39Å; V546-Y548 HydrophobicContact CB-CE2 3.8Å; V546-Y548 HydrophobicContact CG1-CD1 4.34Å; V546-Y548 HydrophobicContact CG1-CD2 4.03Å; V546-Y548 HydrophobicContact CG1-CE1 3.93Å; V546-Y548 HydrophobicContact CG1-CE2 3.55Å; V546-Y548 HydrophobicContact CG1-CG 4.42Å; Y548-R589 CarbonylContact C-O 3.46Å; Y548-R589 VanDerWaalsContact CA-O 3.32Å; Y548-R589 WeakPolarHBondContact CA-O 3.5Å; Y548-R589 HydrophobicContact CD1-CB 3.53Å; Y548-R589 HydrophobicContact CD1-CG 4.11Å; Y548-R589 HydrophobicContact CE1-CB 3.98Å; Y548-R589 HydrophobicContact CE1-CG 4.04Å; Y548-R589 HydrophobicContact CG-CB 4.3Å; Y548-I591 HydrophobicContact CD1-CD1 3.41Å; Y548-I591 VanDerWaalsContact CD1-CD1 3.41Å; Y548-I591 HydrophobicContact CD1-CG1 4.11Å; Y548-I591 HydrophobicContact CE1-CD1 4.13Å; Y548-I591 HydrophobicContact CG-CD1 4.09Å
549	T	87.2	Confident	81	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.3	171.5	-61.2	0	0	0	0	108.7	V532 D535 L551 Y562 T563 R589 V590 I591	V532-T549 HydrophobicContact CB-CG2 4.43Å; V532-T549 HydrophobicContact CG1-CG2 3.76Å; V532-T549 HydrophobicContact CG2-CG2 3.83Å; D535-T549 VanDerWaalsContact OD1-CA 3.31Å; D535-T549 WeakPolarHBondContact OD1-CA 3.45Å; D535-T549 VanDerWaalsContact OD1-CB 3.22Å; D535-T549 WeakPolarHBondContact OD1-CB 3.46Å; D535-T549 WeakPolarHBondContact OD1-CG2 3.28Å; D535-T549 PolarHBondContact OD1-OG1 3.08Å; T549-L551 HydrophobicContact CG2-CD2 3.92Å; T549-Y562 HydrophobicContact CG2-CD1 3.84Å; T549-Y562 HydrophobicContact CG2-CE1 3.94Å; T549-T563 WeakPolarHBondContact OG1-CB 3.45Å; T549-T563 PolarHBondContact OG1-OG1 2.96Å; T549-R589 PolarHBondContact N-O 3.11Å; T549-V590 WeakPolarHBondContact O-CA 3.26Å; T549-I591 PolarHBondContact O-N 3.25Å
550	V	81.3	Confident	81.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120.3	179.3	-173.4	0	0	0	0	108.9	L498 L533 C534 I591 L593	L498-V550 HydrophobicContact CD1-CG1 4.17Å; L498-V550 HydrophobicContact CD1-CG2 4.11Å; L533-V550 WeakPolarHBondContact CA-O 3.35Å; L533-V550 HydrophobicContact CB-CB 4.38Å; L533-V550 HydrophobicContact CB-CG1 4.26Å; L533-V550 WeakPolarHBondContact CB-O 3.35Å; L533-V550 HydrophobicContact CD2-CG1 4.04Å; L533-V550 PolarHBondContact N-O 3.21Å; C534-V550 PolarHBondContact N-O 3.09Å; C534-V550 PolarHBondContact O-N 3.04Å; V550-I591 CarbonylContact C-O 3.59Å; V550-I591 VanDerWaalsContact CA-O 3.29Å; V550-I591 WeakPolarHBondContact CA-O 3.31Å; V550-L593 HydrophobicContact CG1-CD1 3.68Å; V550-L593 HydrophobicContact CG1-CG 4Å
551	L	83.9	Confident	81.7	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.8	180	-56.5	-176.8	0	0	0	111.7	K531 V532 T549 W556 V590 I591 L593	K531-L551 WeakPolarHBondContact O-CA 3.47Å; V532-L551 HydrophobicContact CG2-CD2 3.85Å; T549-L551 HydrophobicContact CG2-CD2 3.92Å; L551-W556 HydrophobicContact CD1-CE3 4.01Å; L551-W556 HydrophobicContact CD2-CE3 3.72Å; L551-W556 HydrophobicContact CD2-CZ3 3.63Å; L551-W556 HydrophobicContact CG-CE3 4.48Å; L551-V590 HydrophobicContact CD1-CG1 3.42Å; L551-V590 VanDerWaalsContact CD1-CG1 3.42Å; L551-V590 HydrophobicContact CD2-CG1 4.47Å; L551-V590 HydrophobicContact CG-CG1 3.69Å; L551-I591 PolarHBondContact N-O 2.74Å; L551-L593 PolarHBondContact O-N 3.08Å
552	T	77.9	Confident	82.1	Confident	73 Å²	73	38.9 Å²	38.9	45%	0.448	24%	0.239	S	C	.	.	S	Bend	trans	-79.6	-32	168.8	53.2	0	0	0	0	112.1	K531 L533	K531-T552 PolarHBondContact O-N 3.36Å; K531-T552 PolarHBondContact O-OG1 3.24Å; K531-T552 VanDerWaalsContact O-OG1 3.08Å; L533-T552 HydrophobicContact CB-CG2 3.7Å; L533-T552 HydrophobicContact CD1-CG2 3.66Å; L533-T552 HydrophobicContact CG-CG2 4.28Å
553	D	79.3	Confident	82.5	Confident	52 Å²	52	37 Å²	37	28%	0.278	22%	0.219	S	C	.	.			trans	-120.8	109.4	-177.5	177.7	6.2	0	0	0	111	S555 W556	D553-S555 PolarHBondContact O-N 3.05Å; D553-S555 VanDerWaalsContact OD1-CB 3.28Å; D553-S555 WeakPolarHBondContact OD1-CB 3.44Å; D553-S555 PolarHBondContact OD1-N 3.15Å; D553-S555 PolarHBondContact OD1-OG 3.2Å; D553-S555 PolarHBondContact OD2-OG 3Å; D553-W556 PolarHBondContact O-N 3.14Å
554	P	72	Confident	82.9	Confident	93 Å²	93	37.5 Å²	37.5	60%	0.604	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.1	179.2	27.4	-33.6	0	0	0	114	W556 C592	P554-W556 PolarHBondContact O-N 3.29Å; P554-C592 HydrophobicContact CB-CB 3.87Å
555	S	77.3	Confident	83	Confident	88 Å²	88	40.2 Å²	40.2	62%	0.615	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.9	178.7	76.5	0	0	0	0	112.9	D553 L557	D553-S555 PolarHBondContact O-N 3.05Å; D553-S555 VanDerWaalsContact OD1-CB 3.28Å; D553-S555 WeakPolarHBondContact OD1-CB 3.44Å; D553-S555 PolarHBondContact OD1-N 3.15Å; D553-S555 PolarHBondContact OD1-OG 3.2Å; D553-S555 PolarHBondContact OD2-OG 3Å; S555-L557 PolarHBondContact O-N 2.83Å; S555-L557 VanDerWaalsContact O-N 3.13Å
556	W	79.2	Confident	83	Confident	45 Å²	45	40.2 Å²	40.2	17%	0.17	23%	0.233	C	C	.	.			trans	-77.6	101.7	-177.7	-177.6	55.3	0	0	0	112.7	E529 K531 V532 L551 D553 P554 G558 G559 Y562	E529-W556 HydrophobicContact CB-CH2 4.36Å; E529-W556 HydrophobicContact CG-CH2 3.47Å; E529-W556 VanDerWaalsContact CG-CH2 3.47Å; E529-W556 HydrophobicContact CG-CZ2 3.78Å; E529-W556 HydrophobicContact CG-CZ3 3.89Å; K531-W556 HydrophobicContact CB-CD2 4.09Å; K531-W556 HydrophobicContact CB-CE3 3.92Å; K531-W556 HydrophobicContact CB-CG 4.43Å; K531-W556 HydrophobicContact CB-CZ3 4.43Å; K531-W556 HydrophobicContact CD-CB 3.74Å; K531-W556 HydrophobicContact CD-CD2 3.74Å; K531-W556 HydrophobicContact CD-CE3 4.41Å; K531-W556 HydrophobicContact CD-CG 3.38Å; V532-W556 HydrophobicContact CG2-CZ3 4.03Å; L551-W556 HydrophobicContact CD1-CE3 4.01Å; L551-W556 HydrophobicContact CD2-CE3 3.72Å; L551-W556 HydrophobicContact CD2-CZ3 3.63Å; L551-W556 HydrophobicContact CG-CE3 4.48Å; D553-W556 PolarHBondContact O-N 3.14Å; P554-W556 PolarHBondContact O-N 3.29Å; W556-G558 VanDerWaalsContact CE2-CA 3.46Å; W556-G558 VanDerWaalsContact CH2-C 3.44Å; W556-G558 WeakPolarHBondContact CH2-O 3.41Å; W556-G558 VanDerWaalsContact CZ2-C 3.41Å; W556-G558 PolarHBondContact O-N 2.82Å; W556-G559 PolarHBondContact O-N 2.79Å; W556-Y562 HydrophobicContact CH2-CD2 4.49Å; W556-Y562 HydrophobicContact CH2-CG 4.16Å
557	L	77	Confident	83.3	Confident	165 Å²	165	39.6 Å²	39.6	86%	0.864	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-14.9	178.3	-66	167.5	0	0	0	114.2	S555 G559	S555-L557 PolarHBondContact O-N 2.83Å; S555-L557 VanDerWaalsContact O-N 3.13Å; L557-G559 VanDerWaalsContact C-N 3.26Å; L557-G559 PolarHBondContact O-N 2.85Å
558	G	81.6	Confident	83.3	Confident	22 Å²	22	41 Å²	41	23%	0.227	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10	-179.9	0	0	0	0	0	114.6	W556 S560 D561 Y562	W556-G558 VanDerWaalsContact CE2-CA 3.46Å; W556-G558 VanDerWaalsContact CH2-C 3.44Å; W556-G558 WeakPolarHBondContact CH2-O 3.41Å; W556-G558 VanDerWaalsContact CZ2-C 3.41Å; W556-G558 PolarHBondContact O-N 2.82Å; G558-S560 VanDerWaalsContact C-N 3.31Å; G558-S560 PolarHBondContact O-N 2.96Å; G558-D561 PolarHBondContact O-N 2.69Å; G558-D561 VanDerWaalsContact O-N 3.11Å; G558-Y562 PolarHBondContact O-N 2.72Å; G558-Y562 VanDerWaalsContact O-N 3.07Å
559	G	82.2	Confident	83.5	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-57.3	-41	-177	0	0	0	0	0	114	W556 L557 D561 Y562 T563	W556-G559 PolarHBondContact O-N 2.79Å; L557-G559 VanDerWaalsContact C-N 3.26Å; L557-G559 PolarHBondContact O-N 2.85Å; G559-D561 VanDerWaalsContact C-N 3.33Å; G559-D561 PolarHBondContact O-N 3.12Å; G559-Y562 PolarHBondContact O-N 3.12Å; G559-T563 WeakPolarHBondContact O-CG2 3.37Å; G559-T563 PolarHBondContact O-N 3.39Å
560	S	82.5	Confident	83.6	Confident	68 Å²	68	42.4 Å²	42.4	48%	0.476	24%	0.244	S	C	.	.	H	α-helix	trans	-62.7	-40.9	178.4	-171.9	0	0	0	0	111.7	G558 T563 Q564	G558-S560 VanDerWaalsContact C-N 3.31Å; G558-S560 PolarHBondContact O-N 2.96Å; S560-T563 WeakPolarHBondContact O-CG2 3.47Å; S560-Q564 WeakPolarHBondContact O-CB 3.33Å; S560-Q564 PolarHBondContact O-N 3.03Å
561	D	84.6	Confident	84	Confident	78 Å²	78	42.6 Å²	42.6	42%	0.417	25%	0.245	S	C	.	.	H	α-helix	trans	-70.6	-41.6	-176.7	-72	16.2	0	0	0	111.2	K102 G558 G559 N565	K102-D561 VanDerWaalsContact CE-OD1 3.25Å; K102-D561 WeakPolarHBondContact CE-OD1 3.25Å; K102-D561 IonicContact NZ-OD1 2.9Å; K102-D561 PolarHBondContact NZ-OD1 2.89Å; K102-D561 IonicContact NZ-OD2 3.64Å; K102-D561 PolarHBondContact NZ-OD2 2.79Å; G558-D561 PolarHBondContact O-N 2.69Å; G558-D561 VanDerWaalsContact O-N 3.11Å; G559-D561 VanDerWaalsContact C-N 3.33Å; G559-D561 PolarHBondContact O-N 3.12Å; D561-N565 WeakPolarHBondContact O-CB 3.14Å; D561-N565 PolarHBondContact O-N 3.28Å
562	Y	88.2	Confident	83.9	Confident	24 Å²	24	46 Å²	46	9%	0.094	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-54.1	175	175.2	-87.8	0	0	0	111.9	S519 A521 E529 V532 T549 W556 G558 G559 Q564 N565 T566	S519-Y562 PolarHBondContact OG-OH 3.12Å; A521-Y562 HydrophobicContact CB-CE1 4.39Å; A521-Y562 HydrophobicContact CB-CE2 3.69Å; A521-Y562 VanDerWaalsContact CB-CZ 3.5Å; A521-Y562 WeakPolarHBondContact CB-OH 2.97Å; E529-Y562 HydrophobicContact CB-CD2 3.85Å; E529-Y562 HydrophobicContact CB-CE2 3.65Å; V532-Y562 HydrophobicContact CB-CE1 4.4Å; V532-Y562 HydrophobicContact CG1-CE1 4.2Å; V532-Y562 HydrophobicContact CG2-CD1 3.85Å; V532-Y562 HydrophobicContact CG2-CE1 3.63Å; V532-Y562 HydrophobicContact CG2-CE2 4.36Å; V532-Y562 HydrophobicContact CG2-CG 4.3Å; T549-Y562 HydrophobicContact CG2-CD1 3.84Å; T549-Y562 HydrophobicContact CG2-CE1 3.94Å; W556-Y562 HydrophobicContact CH2-CD2 4.49Å; W556-Y562 HydrophobicContact CH2-CG 4.16Å; G558-Y562 PolarHBondContact O-N 2.72Å; G558-Y562 VanDerWaalsContact O-N 3.07Å; G559-Y562 PolarHBondContact O-N 3.12Å; Y562-Q564 VanDerWaalsContact C-N 3.29Å; Y562-Q564 PolarHBondContact O-N 3.16Å; Y562-N565 PolarHBondContact O-N 2.94Å; Y562-T566 WeakPolarHBondContact O-CB 3.33Å; Y562-T566 PolarHBondContact O-N 3.41Å; Y562-T566 PolarHBondContact O-OG1 2.87Å
563	T	88.5	Confident	84	Confident	2 Å²	2	47 Å²	47	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-65.9	-36.5	-176.7	-168	0	0	0	0	111.2	T549 G559 S560 T566 A567 P588 V590	T549-T563 WeakPolarHBondContact OG1-CB 3.45Å; T549-T563 PolarHBondContact OG1-OG1 2.96Å; G559-T563 WeakPolarHBondContact O-CG2 3.37Å; G559-T563 PolarHBondContact O-N 3.39Å; S560-T563 WeakPolarHBondContact O-CG2 3.47Å; T563-T566 PolarHBondContact O-N 3.45Å; T563-A567 VanDerWaalsContact O-CB 3.27Å; T563-A567 WeakPolarHBondContact O-CB 3.28Å; T563-A567 PolarHBondContact O-N 3.31Å; T563-P588 HydrophobicContact CG2-CB 3.68Å; T563-V590 HydrophobicContact CG2-CG2 3.39Å
564	Q	87.7	Confident	84.2	Confident	31 Å²	31	44.6 Å²	44.6	15%	0.145	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-48.2	177.3	-173.8	81.8	3	0	0	111.6	M103 Y105 A106 S560 Y562 L568	M103-Q564 PolarHBondContact O-NE2 2.82Å; M103-Q564 VanDerWaalsContact O-NE2 3.11Å; Y105-Q564 PolarHBondContact O-NE2 2.65Å; A106-Q564 VanDerWaalsContact CA-NE2 3.29Å; S560-Q564 WeakPolarHBondContact O-CB 3.33Å; S560-Q564 PolarHBondContact O-N 3.03Å; Y562-Q564 VanDerWaalsContact C-N 3.29Å; Y562-Q564 PolarHBondContact O-N 3.16Å; Q564-L568 WeakPolarHBondContact O-CB 3.3Å; Q564-L568 PolarHBondContact O-N 2.86Å
565	N	88.1	Confident	84.4	Confident	70 Å²	70	41.4 Å²	41.4	37%	0.374	22%	0.217	S	C	.	.	H	α-helix	trans	-65	-43.4	178.3	-174.4	36.5	0	0	0	110.7	D561 Y562 A567 L568 Q569	D561-N565 WeakPolarHBondContact O-CB 3.14Å; D561-N565 PolarHBondContact O-N 3.28Å; Y562-N565 PolarHBondContact O-N 2.94Å; N565-A567 PolarHBondContact O-N 3.36Å; N565-L568 PolarHBondContact O-N 2.93Å; N565-Q569 WeakPolarHBondContact O-CB 3.4Å; N565-Q569 VanDerWaalsContact O-CG 3.23Å; N565-Q569 WeakPolarHBondContact O-CG 3.48Å; N565-Q569 PolarHBondContact O-N 3.41Å
566	T	89.2	Confident	84	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-47.2	177.5	-57.1	0	0	0	0	111.5	W520 A521 I524 L547 Y562 T563 L568 Q569 L570	W520-T566 HydrophobicContact CB-CG2 3.82Å; A521-T566 HydrophobicContact CB-CG2 4.06Å; A521-T566 WeakPolarHBondContact CB-OG1 3.4Å; I524-T566 HydrophobicContact CD1-CG2 4.08Å; I524-T566 WeakPolarHBondContact CD1-O 3.26Å; L547-T566 HydrophobicContact CD2-CG2 3.64Å; Y562-T566 WeakPolarHBondContact O-CB 3.33Å; Y562-T566 PolarHBondContact O-N 3.41Å; Y562-T566 PolarHBondContact O-OG1 2.87Å; T563-T566 PolarHBondContact O-N 3.45Å; T566-L568 PolarHBondContact O-N 2.81Å; T566-Q569 PolarHBondContact O-N 3.31Å; T566-L570 VanDerWaalsContact O-CB 3.25Å; T566-L570 WeakPolarHBondContact O-CB 3.39Å; T566-L570 PolarHBondContact O-N 3.3Å
567	A	90.9	Very high	83.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-44.9	176.7	0	0	0	0	0	112.6	A106 L547 T563 N565 L570 K571 V586 P588	A106-A567 HydrophobicContact CB-CB 3.61Å; L547-A567 HydrophobicContact CD2-CB 4.11Å; T563-A567 VanDerWaalsContact O-CB 3.27Å; T563-A567 WeakPolarHBondContact O-CB 3.28Å; T563-A567 PolarHBondContact O-N 3.31Å; N565-A567 PolarHBondContact O-N 3.36Å; A567-L570 PolarHBondContact O-N 2.91Å; A567-K571 PolarHBondContact O-N 3.21Å; A567-V586 HydrophobicContact CB-CB 3.93Å; A567-V586 HydrophobicContact CB-CG1 3.69Å; A567-P588 HydrophobicContact CB-CB 3.99Å; A567-P588 HydrophobicContact CB-CG 4.38Å
568	L	88	Confident	82.9	Confident	30 Å²	30	35.5 Å²	35.5	16%	0.157	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-45.9	177.4	174.5	64.4	0	0	0	111.6	A106 Q564 N565 T566 R572	A106-L568 WeakPolarHBondContact O-CD1 3.31Å; Q564-L568 WeakPolarHBondContact O-CB 3.3Å; Q564-L568 PolarHBondContact O-N 2.86Å; N565-L568 PolarHBondContact O-N 2.93Å; T566-L568 PolarHBondContact O-N 2.81Å; L568-R572 WeakPolarHBondContact O-CG 3.2Å; L568-R572 PolarHBondContact O-N 2.72Å; L568-R572 VanDerWaalsContact O-N 3.1Å
569	Q	87.9	Confident	82.3	Confident	45 Å²	45	36.4 Å²	36.4	21%	0.21	20%	0.196	C	C	.	.	H	α-helix	trans	-71.6	-36.4	-179.1	-63.8	-65.5	-16.2	0	0	111.5	I524 L526 N565 T566 R572 R573	I524-Q569 HydrophobicContact CD1-CB 3.69Å; I524-Q569 HydrophobicContact CG1-CB 4.47Å; L526-Q569 HydrophobicContact CD1-CB 3.95Å; L526-Q569 HydrophobicContact CD1-CG 3.86Å; L526-Q569 HydrophobicContact CD2-CG 4.15Å; L526-Q569 HydrophobicContact CG-CG 4.48Å; N565-Q569 WeakPolarHBondContact O-CB 3.4Å; N565-Q569 VanDerWaalsContact O-CG 3.23Å; N565-Q569 WeakPolarHBondContact O-CG 3.48Å; N565-Q569 PolarHBondContact O-N 3.41Å; T566-Q569 PolarHBondContact O-N 3.31Å; Q569-R572 PolarHBondContact O-N 3.31Å; Q569-R573 WeakPolarHBondContact O-CB 3.4Å; Q569-R573 WeakPolarHBondContact O-CG 3.44Å; Q569-R573 PolarHBondContact O-N 3.12Å
570	L	87.9	Confident	82.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-47.2	174.4	179.8	60.2	0	0	0	110.9	W520 I524 L537 T566 A567 R572 R573 L574 V586 L625 V628	W520-L570 HydrophobicContact CE3-CD1 3.93Å; W520-L570 HydrophobicContact CE3-CD2 4.38Å; W520-L570 HydrophobicContact CZ3-CD1 3.89Å; I524-L570 HydrophobicContact CD1-CB 4.12Å; I524-L570 HydrophobicContact CG2-CD1 4.07Å; L537-L570 HydrophobicContact CD1-CD2 3.87Å; L537-L570 HydrophobicContact CD2-CD2 3.88Å; L537-L570 HydrophobicContact CG-CD2 4.49Å; T566-L570 VanDerWaalsContact O-CB 3.25Å; T566-L570 WeakPolarHBondContact O-CB 3.39Å; T566-L570 PolarHBondContact O-N 3.3Å; A567-L570 PolarHBondContact O-N 2.91Å; L570-R572 VanDerWaalsContact C-N 3.33Å; L570-R572 PolarHBondContact O-N 3.24Å; L570-R573 PolarHBondContact O-N 3Å; L570-L574 HydrophobicContact CD1-CG 4.43Å; L570-L574 HydrophobicContact CG-CD1 4.24Å; L570-L574 WeakPolarHBondContact O-CG 3.28Å; L570-L574 PolarHBondContact O-N 2.96Å; L570-V586 HydrophobicContact CD2-CG1 4.46Å; L570-V586 HydrophobicContact CD2-CG2 4.49Å; L570-L625 HydrophobicContact CD1-CD1 3.89Å; L570-V628 HydrophobicContact CD1-CG1 4.5Å
571	K	89.3	Confident	81.9	Confident	3 Å²	3	41.8 Å²	41.8	1%	0.013	21%	0.206	C	C	.	.	H	α-helix	trans	-54.1	-49.3	173.4	-176.9	-148.3	170.7	-170.6	0	111.4	E107 G149 A567 R573 L574 Q575 V584 V586	E107-K571 VanDerWaalsContact OE1-CE 3.31Å; E107-K571 WeakPolarHBondContact OE1-CE 3.44Å; E107-K571 IonicContact OE1-NZ 3.08Å; E107-K571 PolarHBondContact OE1-NZ 3.02Å; E107-K571 IonicContact OE2-NZ 3.06Å; E107-K571 PolarHBondContact OE2-NZ 3.32Å; G149-K571 PolarHBondContact O-NZ 3.44Å; A567-K571 PolarHBondContact O-N 3.21Å; K571-R573 PolarHBondContact O-N 2.83Å; K571-L574 PolarHBondContact O-N 3.2Å; K571-Q575 WeakPolarHBondContact O-CG 3.35Å; K571-Q575 PolarHBondContact O-N 3.43Å; K571-V584 WeakPolarHBondContact CE-O 3.38Å; K571-V584 HydrophobicContact CG-CG1 4.16Å; K571-V586 HydrophobicContact CB-CG2 4.21Å
572	R	82.8	Confident	81.8	Confident	76 Å²	76	39.1 Å²	39.1	29%	0.287	20%	0.197	S	C	.	.	H	α-helix	trans	-60.5	-44.4	178.5	-74.2	174.9	172.7	-179.9	-1.2	111.6	L568 Q569 L570 Q575 T576	L568-R572 WeakPolarHBondContact O-CG 3.2Å; L568-R572 PolarHBondContact O-N 2.72Å; L568-R572 VanDerWaalsContact O-N 3.1Å; Q569-R572 PolarHBondContact O-N 3.31Å; L570-R572 VanDerWaalsContact C-N 3.33Å; L570-R572 PolarHBondContact O-N 3.24Å; R572-Q575 PolarHBondContact O-N 3.35Å; R572-T576 WeakPolarHBondContact O-CB 3.4Å; R572-T576 WeakPolarHBondContact O-CG2 3.36Å; R572-T576 PolarHBondContact O-N 2.8Å; R572-T576 PolarHBondContact O-OG1 3.47Å
573	R	80.9	Confident	81.8	Confident	93 Å²	93	39.7 Å²	39.7	35%	0.351	20%	0.2	S	C	.	.	H	α-helix	trans	-66.6	-40.1	-179	-68.7	-75.6	-170.2	175.3	7.8	111.8	I524 Q569 L570 K571 Q575 T576 L577 G578 V628	I524-R573 HydrophobicContact CB-CG 4.37Å; I524-R573 PolarHBondContact O-NH2 3.34Å; Q569-R573 WeakPolarHBondContact O-CB 3.4Å; Q569-R573 WeakPolarHBondContact O-CG 3.44Å; Q569-R573 PolarHBondContact O-N 3.12Å; L570-R573 PolarHBondContact O-N 3Å; K571-R573 PolarHBondContact O-N 2.83Å; R573-Q575 PolarHBondContact O-N 3.13Å; R573-T576 WeakPolarHBondContact CA-OG1 3.4Å; R573-T576 PolarHBondContact O-N 3.11Å; R573-L577 WeakPolarHBondContact O-CA 3.46Å; R573-L577 WeakPolarHBondContact O-CB 3.34Å; R573-L577 PolarHBondContact O-N 2.64Å; R573-G578 PolarHBondContact O-N 2.85Å; R573-V628 VanDerWaalsContact C-CG2 3.44Å; R573-V628 HydrophobicContact CB-CG1 3.78Å; R573-V628 HydrophobicContact CB-CG2 3.91Å; R573-V628 VanDerWaalsContact O-CG2 3.3Å; R573-V628 WeakPolarHBondContact O-CG2 3.43Å
574	L	81.8	Confident	81.7	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-56.1	-40.5	173.8	-77.3	167.7	0	0	0	112	L545 L570 K571 G578 G579 Y580 L621 L625 V628	L545-L574 HydrophobicContact CD2-CD1 4.11Å; L570-L574 HydrophobicContact CD1-CG 4.43Å; L570-L574 HydrophobicContact CG-CD1 4.24Å; L570-L574 WeakPolarHBondContact O-CG 3.28Å; L570-L574 PolarHBondContact O-N 2.96Å; K571-L574 PolarHBondContact O-N 3.2Å; L574-G578 CarbonylContact O-C 3.49Å; L574-G578 VanDerWaalsContact O-CA 3.23Å; L574-G578 WeakPolarHBondContact O-CA 3.23Å; L574-G578 PolarHBondContact O-N 3.21Å; L574-G579 PolarHBondContact O-N 2.75Å; L574-Y580 WeakPolarHBondContact O-CB 3.48Å; L574-Y580 PolarHBondContact O-N 3.32Å; L574-L621 HydrophobicContact CD1-CD1 4.1Å; L574-L621 HydrophobicContact CD2-CD1 4.46Å; L574-L625 HydrophobicContact CD2-CB 4.01Å; L574-L625 HydrophobicContact CD2-CD1 3.85Å; L574-V628 HydrophobicContact CD2-CG2 4.38Å
575	Q	77	Confident	81.7	Confident	27 Å²	27	38.1 Å²	38.1	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-78.2	-45.3	179.8	-67.2	172.2	-35.4	0	0	112.7	G149 K571 R572 R573 V584	G149-Q575 PolarHBondContact O-OE1 3.35Å; K571-Q575 WeakPolarHBondContact O-CG 3.35Å; K571-Q575 PolarHBondContact O-N 3.43Å; R572-Q575 PolarHBondContact O-N 3.35Å; R573-Q575 PolarHBondContact O-N 3.13Å; Q575-V584 HydrophobicContact CG-CG1 4.31Å
576	T	69.5	Low	81.8	Confident	104 Å²	104	34.9 Å²	34.9	64%	0.638	18%	0.175	S	C	*	.	H	α-helix	trans	-81.5	-51	-172.5	51.8	0	0	0	0	113.7	R572 R573	R572-T576 WeakPolarHBondContact O-CB 3.4Å; R572-T576 WeakPolarHBondContact O-CG2 3.36Å; R572-T576 PolarHBondContact O-N 2.8Å; R572-T576 PolarHBondContact O-OG1 3.47Å; R573-T576 WeakPolarHBondContact CA-OG1 3.4Å; R573-T576 PolarHBondContact O-N 3.11Å
577	L	65.5	Low	81.7	Confident	66 Å²	66	35.4 Å²	35.4	35%	0.346	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-44.5	179.2	-64.3	-174.2	0	0	0	111.7	R573 G579 V628 C631	R573-L577 WeakPolarHBondContact O-CA 3.46Å; R573-L577 WeakPolarHBondContact O-CB 3.34Å; R573-L577 PolarHBondContact O-N 2.64Å; L577-G579 VanDerWaalsContact C-N 3.28Å; L577-G579 PolarHBondContact O-N 3.22Å; L577-V628 HydrophobicContact CB-CG2 4.32Å; L577-C631 HydrophobicContact CD1-CB 4Å
578	G	65.9	Low	81.6	Confident	4 Å²	4	36.1 Å²	36.1	4%	0.041	18%	0.182	C	C	.	.	S	Bend	trans	-73.9	-19.7	-177.2	0	0	0	0	0	113.8	R573 L574 Y580 S624	R573-G578 PolarHBondContact O-N 2.85Å; L574-G578 CarbonylContact O-C 3.49Å; L574-G578 VanDerWaalsContact O-CA 3.23Å; L574-G578 WeakPolarHBondContact O-CA 3.23Å; L574-G578 PolarHBondContact O-N 3.21Å; G578-Y580 VanDerWaalsContact C-N 3.29Å; G578-Y580 PolarHBondContact O-N 3.27Å; G578-S624 WeakPolarHBondContact CA-O 3.33Å; G578-S624 WeakPolarHBondContact O-CA 3.18Å; G578-S624 VanDerWaalsContact O-CB 3.28Å; G578-S624 WeakPolarHBondContact O-CB 3.01Å; G578-S624 PolarHBondContact O-OG 2.89Å
579	G	70.3	Confident	81.4	Confident	40 Å²	40	36.5 Å²	36.5	41%	0.412	18%	0.182	S	C	.	.			trans	72.2	15.6	-179.9	0	0	0	0	0	115	L574 L577 R581	L574-G579 PolarHBondContact O-N 2.75Å; L577-G579 VanDerWaalsContact C-N 3.28Å; L577-G579 PolarHBondContact O-N 3.22Å; G579-R581 WeakPolarHBondContact O-CG 3.4Å; G579-R581 PolarHBondContact O-N 3.18Å
580	Y	78.9	Confident	81.2	Confident	8 Å²	8	36.9 Å²	36.9	3%	0.031	19%	0.187	C	C	.	.			trans	-63.7	121.3	-179.8	-173.1	-106.2	0	0	0	110.7	L574 G578 G582 V584 D620 L621 S624	L574-Y580 WeakPolarHBondContact O-CB 3.48Å; L574-Y580 PolarHBondContact O-N 3.32Å; G578-Y580 VanDerWaalsContact C-N 3.29Å; G578-Y580 PolarHBondContact O-N 3.27Å; Y580-G582 VanDerWaalsContact CE1-C 3.44Å; Y580-G582 WeakPolarHBondContact CE1-O 3.18Å; Y580-V584 HydrophobicContact CD1-CB 3.92Å; Y580-V584 HydrophobicContact CD1-CG1 3.68Å; Y580-V584 HydrophobicContact CE1-CB 3.59Å; Y580-V584 HydrophobicContact CE1-CG1 3.88Å; Y580-V584 HydrophobicContact CE1-CG2 4.46Å; Y580-D620 HydrophobicContact CD2-CB 4.47Å; Y580-D620 WeakPolarHBondContact CD2-OD2 3.39Å; Y580-D620 HydrophobicContact CE2-CB 4.2Å; Y580-D620 WeakPolarHBondContact CE2-OD2 3.48Å; Y580-L621 HydrophobicContact CD1-CD1 4.07Å; Y580-L621 HydrophobicContact CD2-CB 4.02Å; Y580-L621 HydrophobicContact CD2-CD1 3.92Å; Y580-L621 HydrophobicContact CE1-CD1 4.02Å; Y580-L621 HydrophobicContact CE2-CB 3.66Å; Y580-L621 HydrophobicContact CE2-CD1 3.86Å; Y580-L621 HydrophobicContact CE2-CG 4.39Å; Y580-L621 HydrophobicContact CG-CD1 4Å; Y580-S624 WeakPolarHBondContact CA-OG 3.3Å; Y580-S624 WeakPolarHBondContact CB-OG 3.47Å; Y580-S624 PolarHBondContact N-OG 2.9Å
581	R	76.9	Confident	80.7	Confident	175 Å²	175	37.2 Å²	37.2	66%	0.66	19%	0.189	S	C	*	.			trans	-98.8	-10.1	-175.7	-62.8	-173.2	179.5	-173.4	-0	113.8	K203 G579	K203-R581 WeakPolarHBondContact CE-O 3.49Å; K203-R581 PolarHBondContact NZ-O 3.43Å; G579-R581 WeakPolarHBondContact O-CG 3.4Å; G579-R581 PolarHBondContact O-N 3.18Å
582	G	82.7	Confident	80.1	Confident	22 Å²	22	38.8 Å²	38.8	23%	0.227	20%	0.199	C	C	.	.	S	Bend	trans	-72	171.6	-179.9	0	0	0	0	0	113.7	Y580	Y580-G582 VanDerWaalsContact CE1-C 3.44Å; Y580-G582 WeakPolarHBondContact CE1-O 3.18Å
583	K	87.4	Confident	79.3	Confident	35 Å²	35	36.8 Å²	36.8	15%	0.152	19%	0.194	C	C	.	.			trans	-73.2	125.7	164.3	-70.1	177	-179.1	179.6	0	107.2	Q186 K187 D190 K203 A609 Y610	Q186-K583 PolarHBondContact O-NZ 3.38Å; K187-K583 WeakPolarHBondContact O-CE 3.43Å; D190-K583 IonicContact OD1-NZ 2.85Å; D190-K583 PolarHBondContact OD1-NZ 3.26Å; D190-K583 WeakPolarHBondContact OD2-CD 3.44Å; D190-K583 WeakPolarHBondContact OD2-CE 3.47Å; D190-K583 IonicContact OD2-NZ 3.46Å; D190-K583 PolarHBondContact OD2-NZ 3.46Å; K203-K583 HydrophobicContact CB-CG 4.39Å; K203-K583 HydrophobicContact CD-CG 3.85Å; K203-K583 HydrophobicContact CG-CG 4.05Å; K583-A609 WeakPolarHBondContact CB-O 3Å; K583-A609 HydrophobicContact CD-CB 3.83Å; K583-Y610 HydrophobicContact CB-CD1 4.2Å; K583-Y610 HydrophobicContact CB-CD2 4.31Å; K583-Y610 HydrophobicContact CB-CE1 4.27Å; K583-Y610 HydrophobicContact CB-CE2 4.36Å; K583-Y610 HydrophobicContact CB-CG 4.23Å; K583-Y610 HydrophobicContact CD-CD2 4.4Å; K583-Y610 HydrophobicContact CD-CE2 4.14Å; K583-Y610 HydrophobicContact CG-CE2 4.47Å
584	V	87.6	Confident	78.2	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.006	22%	0.219	C	C	.	.			trans	-140	137.6	-179.4	57.7	0	0	0	0	109.9	L545 K571 Q575 Y580 L621	L545-V584 HydrophobicContact CD1-CG2 3.79Å; L545-V584 HydrophobicContact CD2-CG2 4.29Å; K571-V584 WeakPolarHBondContact CE-O 3.38Å; K571-V584 HydrophobicContact CG-CG1 4.16Å; Q575-V584 HydrophobicContact CG-CG1 4.31Å; Y580-V584 HydrophobicContact CD1-CB 3.92Å; Y580-V584 HydrophobicContact CD1-CG1 3.68Å; Y580-V584 HydrophobicContact CE1-CB 3.59Å; Y580-V584 HydrophobicContact CE1-CG1 3.88Å; Y580-V584 HydrophobicContact CE1-CG2 4.46Å; V584-L621 HydrophobicContact CG2-CD1 3.94Å
585	C	87.3	Confident	76.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.234	C	C	.	.			trans	-132	154.7	163.6	65.2	0	0	0	0	109.2	L545 Y606 Y610	L545-C585 WeakPolarHBondContact CB-O 3.4Å; L545-C585 PolarHBondContact N-O 3.18Å; C585-Y606 HydrophobicContact CB-CD1 3.64Å; C585-Y606 HydrophobicContact CB-CD2 4.25Å; C585-Y606 HydrophobicContact CB-CE1 3.27Å; C585-Y606 HydrophobicContact CB-CE2 3.91Å; C585-Y606 HydrophobicContact CB-CG 4.11Å; C585-Y606 VanDerWaalsContact SG-CD1 3.56Å; C585-Y606 VanDerWaalsContact SG-CD2 3.53Å; C585-Y610 HydrophobicContact CB-CD1 3.84Å; C585-Y610 HydrophobicContact CB-CE1 4.49Å
586	V	89.6	Confident	75.7	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.9	175.2	-175	0	0	0	0	106.5	A106 L537 L545 L547 A567 L570 K571 P588	A106-V586 WeakPolarHBondContact CB-O 3.3Å; L537-V586 HydrophobicContact CD1-CG1 4.16Å; L545-V586 HydrophobicContact CB-CG1 4.47Å; L545-V586 HydrophobicContact CB-CG2 4.22Å; L545-V586 HydrophobicContact CD2-CG2 4.09Å; L547-V586 HydrophobicContact CB-CG1 3.64Å; A567-V586 HydrophobicContact CB-CB 3.93Å; A567-V586 HydrophobicContact CB-CG1 3.69Å; L570-V586 HydrophobicContact CD2-CG1 4.46Å; L570-V586 HydrophobicContact CD2-CG2 4.49Å; K571-V586 HydrophobicContact CB-CG2 4.21Å; V586-P588 VanDerWaalsContact O-CD 3.3Å; V586-P588 WeakPolarHBondContact O-CD 3.4Å
587	I	87.2	Confident	74.7	Confident	11 Å²	11	48 Å²	48	6%	0.056	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	112.7	178.8	-61.7	178.5	0	0	0	107.7	P544 L545 V546 L547 R589 P604 Y606	P544-I587 HydrophobicContact CB-CD1 3.87Å; P544-I587 HydrophobicContact CB-CG1 4.28Å; P544-I587 HydrophobicContact CG-CD1 3.87Å; L545-I587 PolarHBondContact O-N 3.31Å; V546-I587 CarbonylContact C-O 3.58Å; V546-I587 WeakPolarHBondContact CA-O 3.45Å; V546-I587 HydrophobicContact CG1-CB 4.37Å; V546-I587 HydrophobicContact CG1-CG2 4.5Å; V546-I587 WeakPolarHBondContact CG1-O 3.46Å; V546-I587 HydrophobicContact CG2-CB 4.35Å; L547-I587 PolarHBondContact N-O 2.94Å; I587-R589 HydrophobicContact CG2-CG 4.39Å; I587-P604 HydrophobicContact CG2-CG 4.03Å; I587-Y606 HydrophobicContact CD1-CD2 4.35Å; I587-Y606 HydrophobicContact CG1-CD2 4.18Å; I587-Y606 HydrophobicContact CG1-CE2 4Å
588	P	88.5	Confident	73.9	Confident	15 Å²	15	48.4 Å²	48.4	10%	0.097	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	140.2	177.6	29.6	-29	0	0	0	110.6	A106 L547 T563 A567 V586	A106-P588 HydrophobicContact CB-CG 4.08Å; L547-P588 CarbonylContact O-C 3.59Å; T563-P588 HydrophobicContact CG2-CB 3.68Å; A567-P588 HydrophobicContact CB-CB 3.99Å; A567-P588 HydrophobicContact CB-CG 4.38Å; V586-P588 VanDerWaalsContact O-CD 3.3Å; V586-P588 WeakPolarHBondContact O-CD 3.4Å
589	R	83.7	Confident	72.9	Confident	39 Å²	39	59.1 Å²	59.1	15%	0.147	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	128	-179.8	-71.4	-59.4	-169.6	169.4	7.2	109.8	V546 L547 Y548 T549 I587 D601 S603	V546-R589 HydrophobicContact CG1-CB 4.32Å; V546-R589 HydrophobicContact CG1-CG 3.57Å; L547-R589 PolarHBondContact O-N 3.37Å; Y548-R589 CarbonylContact C-O 3.46Å; Y548-R589 VanDerWaalsContact CA-O 3.32Å; Y548-R589 WeakPolarHBondContact CA-O 3.5Å; Y548-R589 HydrophobicContact CD1-CB 3.53Å; Y548-R589 HydrophobicContact CD1-CG 4.11Å; Y548-R589 HydrophobicContact CE1-CB 3.98Å; Y548-R589 HydrophobicContact CE1-CG 4.04Å; Y548-R589 HydrophobicContact CG-CB 4.3Å; T549-R589 PolarHBondContact N-O 3.11Å; I587-R589 HydrophobicContact CG2-CG 4.39Å; R589-D601 VanDerWaalsContact CZ-O 3.24Å; R589-D601 PolarHBondContact NH1-O 3.06Å; R589-D601 PolarHBondContact NH2-O 3.23Å; R589-S603 PolarHBondContact NH2-OG 3.06Å
590	V	83.9	Confident	72	Confident	52 Å²	52	60.3 Å²	60.3	32%	0.315	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.8	173	-175	0	0	0	0	108.6	T549 L551 T563	T549-V590 WeakPolarHBondContact O-CA 3.26Å; L551-V590 HydrophobicContact CD1-CG1 3.42Å; L551-V590 VanDerWaalsContact CD1-CG1 3.42Å; L551-V590 HydrophobicContact CD2-CG1 4.47Å; L551-V590 HydrophobicContact CG-CG1 3.69Å; T563-V590 HydrophobicContact CG2-CG2 3.39Å
591	I	79	Confident	70.8	Confident	8 Å²	8	65.9 Å²	65.9	4%	0.041	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.5	172.7	-44.5	168.3	0	0	0	108.1	L501 L502 Q505 Y548 T549 V550 L551	L501-I591 HydrophobicContact CD1-CG2 3.94Å; L501-I591 HydrophobicContact CD2-CG2 3.66Å; L501-I591 HydrophobicContact CG-CG2 3.95Å; L502-I591 HydrophobicContact CD2-CD1 3.78Å; Q505-I591 HydrophobicContact CB-CD1 4.08Å; Q505-I591 HydrophobicContact CG-CD1 3.91Å; Y548-I591 HydrophobicContact CD1-CD1 3.41Å; Y548-I591 VanDerWaalsContact CD1-CD1 3.41Å; Y548-I591 HydrophobicContact CD1-CG1 4.11Å; Y548-I591 HydrophobicContact CE1-CD1 4.13Å; Y548-I591 HydrophobicContact CG-CD1 4.09Å; T549-I591 PolarHBondContact O-N 3.25Å; V550-I591 CarbonylContact C-O 3.59Å; V550-I591 VanDerWaalsContact CA-O 3.29Å; V550-I591 WeakPolarHBondContact CA-O 3.31Å; L551-I591 PolarHBondContact N-O 2.74Å
592	C	75.2	Confident	69.9	Low	35 Å²	35	63.1 Å²	63.1	24%	0.236	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.2	175.5	-57.6	0	0	0	0	110.6	P554 G595	P554-C592 HydrophobicContact CB-CB 3.87Å; C592-G595 VanDerWaalsContact O-CA 3.3Å; C592-G595 WeakPolarHBondContact O-CA 3.48Å; C592-G595 PolarHBondContact O-N 3.12Å
593	L	66.7	Low	68.9	Low	34 Å²	34	65.1 Å²	65.1	18%	0.178	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	138.3	169.7	-87.2	168.3	0	0	0	110.5	L498 L501 L533 V550 L551	L498-L593 HydrophobicContact CB-CD1 4.03Å; L498-L593 HydrophobicContact CD1-CD1 3.68Å; L498-L593 HydrophobicContact CG-CD1 4.41Å; L501-L593 HydrophobicContact CB-CD2 4.37Å; L501-L593 HydrophobicContact CD2-CD1 4.39Å; L501-L593 HydrophobicContact CD2-CD2 3.37Å; L501-L593 HydrophobicContact CD2-CG 3.52Å; L501-L593 HydrophobicContact CG-CD2 4.49Å; L533-L593 HydrophobicContact CD2-CD1 3.73Å; V550-L593 HydrophobicContact CG1-CD1 3.68Å; V550-L593 HydrophobicContact CG1-CG 4Å; L551-L593 PolarHBondContact O-N 3.08Å
594	P	56.7	Low	67.9	Low	135 Å²	135	64.1 Å²	64.1	88%	0.877	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.5	99.5	-8.8	32.2	-29.8	0	0	0	110.6
595	G	55.5	Low	67.3	Low	31 Å²	31	68 Å²	68	32%	0.32	38%	0.38	S	S	.	.			trans	-94.5	117.8	176.7	0	0	0	0	0	111.4	C592 G597	C592-G595 VanDerWaalsContact O-CA 3.3Å; C592-G595 WeakPolarHBondContact O-CA 3.48Å; C592-G595 PolarHBondContact O-N 3.12Å; G595-G597 PolarHBondContact O-N 3.5Å; G595-G597 VanDerWaalsContact O-N 3.14Å
596	R	51	Low	67	Low	249 Å²	249	68.9 Å²	68.9	94%	0.94	38%	0.383	S	S	*	.			trans	-56.3	118.5	153.7	-98.4	-178.1	-172.2	-111.7	-2	105.9	S598	R596-S598 PolarHBondContact O-N 2.95Å
597	G	49.4	Very low	66.9	Low	47 Å²	47	69.5 Å²	69.5	49%	0.485	39%	0.387	S	S	.	.			trans	-33.5	102.8	-169.8	0	0	0	0	0	112.3	G595 R599	G595-G597 PolarHBondContact O-N 3.5Å; G595-G597 VanDerWaalsContact O-N 3.14Å; G597-R599 PolarHBondContact O-N 3.38Å
598	S	47.6	Very low	66.8	Low	74 Å²	74	79.6 Å²	79.6	52%	0.517	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-58	134.7	168.2	59.2	0	0	0	0	105.6	Q505 R596 P600	Q505-S598 PolarHBondContact NE2-O 2.77Å; R596-S598 PolarHBondContact O-N 2.95Å; S598-P600 VanDerWaalsContact O-N 3.1Å
599	R	46.4	Very low	66.7	Low	229 Å²	229	81 Å²	81	86%	0.864	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-50.3	124.8	174.2	-173.5	-179	-172.6	-174.9	2.5	106.3	G597 D601	G597-R599 PolarHBondContact O-N 3.38Å; R599-D601 PolarHBondContact O-N 2.95Å
600	P	51.5	Low	66.9	Low	65 Å²	65	79.3 Å²	79.3	42%	0.422	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-55.3	119.9	-178.3	18.7	-29.8	0	0	0	107.7	S598	S598-P600 VanDerWaalsContact O-N 3.1Å
601	D	53.7	Low	67.1	Low	124 Å²	124	81.1 Å²	81.1	66%	0.663	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-49.6	140.7	173.7	-118.8	-9.4	0	0	0	107.8	R589 R599 S603	R589-D601 VanDerWaalsContact CZ-O 3.24Å; R589-D601 PolarHBondContact NH1-O 3.06Å; R589-D601 PolarHBondContact NH2-O 3.23Å; R599-D601 PolarHBondContact O-N 2.95Å; D601-S603 PolarHBondContact O-N 2.66Å
602	P	56.3	Low	67.3	Low	117 Å²	117	80.8 Å²	80.8	76%	0.76	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-53.5	116.5	-178.6	18.6	-28.6	0	0	0	109.9
603	S	62.5	Low	67.7	Low	64 Å²	64	83 Å²	83	45%	0.448	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-56.6	141.1	-177.8	-66	0	0	0	0	109.9	R589 D601 V605	R589-S603 PolarHBondContact NH2-OG 3.06Å; D601-S603 PolarHBondContact O-N 2.66Å; S603-V605 PolarHBondContact O-N 3.44Å; S603-V605 VanDerWaalsContact O-N 3.12Å
604	P	67.2	Low	68.4	Low	14 Å²	14	83.6 Å²	83.6	9%	0.091	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-52.7	123.5	160.6	23.8	-33.1	0	0	0	109	P104 Y105 I587 Y606	P104-P604 HydrophobicContact CB-CB 4.05Å; P104-P604 HydrophobicContact CB-CG 4.39Å; P104-P604 HydrophobicContact CG-CB 4.23Å; P104-P604 WeakPolarHBondContact O-CG 3.42Å; Y105-P604 HydrophobicContact CD1-CB 3.47Å; Y105-P604 VanDerWaalsContact CD1-CB 3.47Å; Y105-P604 HydrophobicContact CE1-CB 3.42Å; Y105-P604 VanDerWaalsContact CE1-CB 3.42Å; Y105-P604 HydrophobicContact CG-CB 4.18Å; I587-P604 HydrophobicContact CG2-CG 4.03Å; P604-Y606 HydrophobicContact CB-CE2 4.26Å; P604-Y606 HydrophobicContact CG-CE2 4.23Å; P604-Y606 PolarHBondContact O-N 2.89Å
605	V	73.4	Confident	69.2	Low	83 Å²	83	80.1 Å²	80.1	50%	0.503	44%	0.435	S	S	.	.			trans	-82.5	106	179.5	-177.9	0	0	0	0	107.9	Y105 M192 S603	Y105-V605 WeakPolarHBondContact CE1-O 3.18Å; Y105-V605 PolarHBondContact OH-O 2.93Å; M192-V605 WeakPolarHBondContact CE-O 3.4Å; M192-V605 HydrophobicContact SD-CB 4.27Å; M192-V605 HydrophobicContact SD-CG1 3.91Å; S603-V605 PolarHBondContact O-N 3.44Å; S603-V605 VanDerWaalsContact O-N 3.12Å
606	Y	82.9	Confident	70.2	Confident	19 Å²	19	80.8 Å²	80.8	8%	0.075	44%	0.437	C	S	.	.			trans	-83.8	156.3	169.9	-79.6	-94.5	0	0	0	111.2	Y105 A106 E107 F201 C585 I587 P604 Y610	Y105-Y606 HydrophobicContact CD1-CD1 4.33Å; Y105-Y606 AromaticContact CD1-CD2 3.99Å; Y105-Y606 HydrophobicContact CD1-CD2 3.99Å; Y105-Y606 AromaticContact CD1-CE1 3.89Å; Y105-Y606 HydrophobicContact CD1-CE1 3.89Å; Y105-Y606 AromaticContact CD1-CE2 3.55Å; Y105-Y606 HydrophobicContact CD1-CE2 3.55Å; Y105-Y606 HydrophobicContact CD1-CG 4.37Å; Y105-Y606 AromaticContact CD1-CZ 3.5Å; Y105-Y606 VanDerWaalsContact CD1-CZ 3.5Å; Y105-Y606 HydrophobicContact CE1-CD2 4.2Å; Y105-Y606 HydrophobicContact CE1-CE2 4.21Å; Y105-Y606 HydrophobicContact CE1-CG 4.45Å; A106-Y606 PolarHBondContact N-OH 3.45Å; E107-Y606 HydrophobicContact CG-CE1 4.1Å; E107-Y606 WeakPolarHBondContact CG-OH 3.46Å; F201-Y606 AromaticContact CD1-CD1 3.89Å; F201-Y606 HydrophobicContact CD1-CD1 3.89Å; F201-Y606 HydrophobicContact CD1-CE1 4.16Å; F201-Y606 AromaticContact CE1-CD1 3.51Å; F201-Y606 HydrophobicContact CE1-CD1 3.51Å; F201-Y606 AromaticContact CE1-CE1 3.78Å; F201-Y606 HydrophobicContact CE1-CE1 3.78Å; F201-Y606 HydrophobicContact CE1-CG 4.32Å; C585-Y606 HydrophobicContact CB-CD1 3.64Å; C585-Y606 HydrophobicContact CB-CD2 4.25Å; C585-Y606 HydrophobicContact CB-CE1 3.27Å; C585-Y606 HydrophobicContact CB-CE2 3.91Å; C585-Y606 HydrophobicContact CB-CG 4.11Å; C585-Y606 VanDerWaalsContact SG-CD1 3.56Å; C585-Y606 VanDerWaalsContact SG-CD2 3.53Å; I587-Y606 HydrophobicContact CD1-CD2 4.35Å; I587-Y606 HydrophobicContact CG1-CD2 4.18Å; I587-Y606 HydrophobicContact CG1-CE2 4Å; P604-Y606 HydrophobicContact CB-CE2 4.26Å; P604-Y606 HydrophobicContact CG-CE2 4.23Å; P604-Y606 PolarHBondContact O-N 2.89Å; Y606-Y610 HydrophobicContact CD1-CD1 4.26Å; Y606-Y610 HydrophobicContact CD1-CG 4.3Å
607	P	86.6	Confident	71.5	Confident	15 Å²	15	72.1 Å²	72.1	10%	0.097	41%	0.407	C	S	.	.			trans	-54.7	147.6	169.4	-23	33	0	0	0	111.5	D190 F201 A609 Y610	D190-P607 HydrophobicContact CB-CB 3.85Å; D190-P607 HydrophobicContact CB-CG 3.77Å; F201-P607 HydrophobicContact CB-CG 4.17Å; F201-P607 HydrophobicContact CD1-CG 4.15Å; F201-P607 HydrophobicContact CD2-CG 3.42Å; F201-P607 VanDerWaalsContact CD2-CG 3.42Å; F201-P607 HydrophobicContact CE1-CG 4.45Å; F201-P607 HydrophobicContact CE2-CG 3.8Å; F201-P607 HydrophobicContact CG-CG 3.64Å; F201-P607 HydrophobicContact CZ-CG 4.3Å; P607-A609 PolarHBondContact O-N 3.11Å; P607-Y610 HydrophobicContact CB-CD2 4.11Å; P607-Y610 HydrophobicContact CG-CD2 4.18Å; P607-Y610 HydrophobicContact CG-CE2 4.31Å; P607-Y610 PolarHBondContact O-N 3.42Å
608	R	84.8	Confident	72.6	Confident	223 Å²	223	70.6 Å²	70.6	84%	0.842	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-55.6	-30.3	-177.5	-69.6	-176.9	179.5	176.8	-1.6	113.2	Y610 K611	R608-Y610 PolarHBondContact O-N 2.8Å; R608-K611 WeakPolarHBondContact O-CB 3.05Å; R608-K611 PolarHBondContact O-N 3.11Å; R608-K611 VanDerWaalsContact O-N 3.15Å
609	A	87.2	Confident	73.5	Confident	44 Å²	44	67.8 Å²	67.8	36%	0.364	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-67.1	-10.2	179.3	0	0	0	0	0	114.8	K583 P607	K583-A609 WeakPolarHBondContact CB-O 3Å; K583-A609 HydrophobicContact CD-CB 3.83Å; P607-A609 PolarHBondContact O-N 3.11Å
610	Y	88.1	Confident	74.7	Confident	3 Å²	3	59.9 Å²	59.9	1%	0.012	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-92.4	-0.6	174.9	-78.6	-104.2	0	0	0	113.2	D190 F201 K583 C585 Y606 P607 R608	D190-Y610 WeakPolarHBondContact OD2-CE2 3.33Å; F201-Y610 HydrophobicContact CB-CE2 4.05Å; K583-Y610 HydrophobicContact CB-CD1 4.2Å; K583-Y610 HydrophobicContact CB-CD2 4.31Å; K583-Y610 HydrophobicContact CB-CE1 4.27Å; K583-Y610 HydrophobicContact CB-CE2 4.36Å; K583-Y610 HydrophobicContact CB-CG 4.23Å; K583-Y610 HydrophobicContact CD-CD2 4.4Å; K583-Y610 HydrophobicContact CD-CE2 4.14Å; K583-Y610 HydrophobicContact CG-CE2 4.47Å; C585-Y610 HydrophobicContact CB-CD1 3.84Å; C585-Y610 HydrophobicContact CB-CE1 4.49Å; Y606-Y610 HydrophobicContact CD1-CD1 4.26Å; Y606-Y610 HydrophobicContact CD1-CG 4.3Å; P607-Y610 HydrophobicContact CB-CD2 4.11Å; P607-Y610 HydrophobicContact CG-CD2 4.18Å; P607-Y610 HydrophobicContact CG-CE2 4.31Å; P607-Y610 PolarHBondContact O-N 3.42Å; R608-Y610 PolarHBondContact O-N 2.8Å
611	K	87.8	Confident	76	Confident	90 Å²	90	56.9 Å²	56.9	39%	0.391	32%	0.323	S	S	.	.	S	Bend	trans	-84.7	139.1	170.8	-63.4	-179.9	160.3	-148.4	0	108.9	G542 P544 R608 S613	G542-K611 WeakPolarHBondContact O-CD 3.45Å; G542-K611 PolarHBondContact O-NZ 2.85Å; P544-K611 HydrophobicContact CG-CG 3.97Å; R608-K611 WeakPolarHBondContact O-CB 3.05Å; R608-K611 PolarHBondContact O-N 3.11Å; R608-K611 VanDerWaalsContact O-N 3.15Å; K611-S613 PolarHBondContact O-N 2.99Å; K611-S613 VanDerWaalsContact O-N 3.11Å; K611-S613 PolarHBondContact O-OG 3.47Å
612	L	83.3	Confident	76.8	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	29%	0.294	C	S	.	.			trans	-66	112.4	174.9	-59.1	172.5	0	0	0	108.5	V539 G542 S543 L545 E617 V618 L621	V539-L612 HydrophobicContact CG1-CD1 3.74Å; G542-L612 PolarHBondContact N-O 3.49Å; S543-L612 PolarHBondContact O-N 3Å; L545-L612 HydrophobicContact CD1-CD1 4.02Å; L545-L612 HydrophobicContact CD1-CD2 4.48Å; L545-L612 HydrophobicContact CD1-CG 4.37Å; L612-E617 WeakPolarHBondContact CA-OE2 3.36Å; L612-E617 HydrophobicContact CD2-CB 4.19Å; L612-V618 HydrophobicContact CB-CG2 3.97Å; L612-V618 HydrophobicContact CD1-CG2 3.66Å; L612-V618 HydrophobicContact CG-CG2 4.4Å; L612-L621 HydrophobicContact CD1-CD2 3.85Å; L612-L621 HydrophobicContact CD2-CD2 4.35Å
613	S	83	Confident	77.4	Confident	83 Å²	83	46.8 Å²	46.8	58%	0.58	26%	0.262	S	S	*	.			trans	-86.1	-22.7	-166.1	-61.3	0	0	0	0	113.4	K611 E617	K611-S613 PolarHBondContact O-N 2.99Å; K611-S613 VanDerWaalsContact O-N 3.11Å; K611-S613 PolarHBondContact O-OG 3.47Å; S613-E617 PolarHBondContact N-OE2 2.98Å
614	S	81.1	Confident	78	Confident	46 Å²	46	43.8 Å²	43.8	32%	0.322	24%	0.241	S	C	.	.	S	Bend	trans	-142.2	164.9	-174.9	65.5	0	0	0	0	110.9	A616 E617 V618	S614-A616 VanDerWaalsContact C-N 3.27Å; S614-A616 PolarHBondContact O-N 3.43Å; S614-E617 PolarHBondContact O-N 3.34Å; S614-E617 PolarHBondContact OG-N 3.46Å; S614-V618 PolarHBondContact O-N 2.89Å
615	S	74.1	Confident	78.4	Confident	61 Å²	61	43.6 Å²	43.6	43%	0.427	24%	0.239	S	C	.	.	H	α-helix	trans	-55.4	-47.3	169.4	53.4	0	0	0	0	110.1	E617 V618 E619	S615-E617 VanDerWaalsContact C-N 3.26Å; S615-E617 PolarHBondContact O-N 3.43Å; S615-E617 VanDerWaalsContact O-N 3.13Å; S615-V618 CarbonylContact O-C 3.55Å; S615-V618 WeakPolarHBondContact O-CA 2.97Å; S615-V618 VanDerWaalsContact O-CB 3.25Å; S615-V618 WeakPolarHBondContact O-CB 3.36Å; S615-V618 PolarHBondContact O-N 3.28Å; S615-E619 WeakPolarHBondContact O-CG 3.41Å; S615-E619 PolarHBondContact O-N 3.02Å
616	A	76	Confident	78.1	Confident	46 Å²	46	41.2 Å²	41.2	38%	0.38	22%	0.224	S	C	.	.	H	α-helix	trans	-51.4	-37.5	-180	0	0	0	0	0	114.5	S614 E619 D620	S614-A616 VanDerWaalsContact C-N 3.27Å; S614-A616 PolarHBondContact O-N 3.43Å; A616-E619 WeakPolarHBondContact O-CB 2.94Å; A616-E619 PolarHBondContact O-N 3.37Å; A616-D620 PolarHBondContact O-N 3.18Å
617	E	79.6	Confident	77.4	Confident	66 Å²	66	40.4 Å²	40.4	31%	0.308	22%	0.222	S	C	.	.	H	α-helix	trans	-70.8	-38.5	175.3	-73.1	-179.6	-163.9	0	0	112.7	L612 S613 S614 S615 E619 D620 L621	L612-E617 WeakPolarHBondContact CA-OE2 3.36Å; L612-E617 HydrophobicContact CD2-CB 4.19Å; S613-E617 PolarHBondContact N-OE2 2.98Å; S614-E617 PolarHBondContact O-N 3.34Å; S614-E617 PolarHBondContact OG-N 3.46Å; S615-E617 VanDerWaalsContact C-N 3.26Å; S615-E617 PolarHBondContact O-N 3.43Å; S615-E617 VanDerWaalsContact O-N 3.13Å; E617-E619 PolarHBondContact O-N 3.13Å; E617-D620 PolarHBondContact O-N 3.36Å; E617-L621 VanDerWaalsContact O-CB 3.28Å; E617-L621 WeakPolarHBondContact O-CB 3.14Å; E617-L621 PolarHBondContact O-N 3.24Å
618	V	70.9	Confident	76.6	Confident	15 Å²	15	39.8 Å²	39.8	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-41.7	170.6	170.2	0	0	0	0	109.6	V539 V541 L612 S614 S615 L621 L622	V539-V618 HydrophobicContact CG1-CB 4.45Å; V539-V618 HydrophobicContact CG1-CG1 3.77Å; V539-V618 HydrophobicContact CG1-CG2 4.35Å; V541-V618 HydrophobicContact CG2-CG2 3.7Å; L612-V618 HydrophobicContact CB-CG2 3.97Å; L612-V618 HydrophobicContact CD1-CG2 3.66Å; L612-V618 HydrophobicContact CG-CG2 4.4Å; S614-V618 PolarHBondContact O-N 2.89Å; S615-V618 CarbonylContact O-C 3.55Å; S615-V618 WeakPolarHBondContact O-CA 2.97Å; S615-V618 VanDerWaalsContact O-CB 3.25Å; S615-V618 WeakPolarHBondContact O-CB 3.36Å; S615-V618 PolarHBondContact O-N 3.28Å; V618-L621 PolarHBondContact O-N 3.1Å; V618-L622 HydrophobicContact CG1-CD1 3.73Å; V618-L622 HydrophobicContact CG1-CG 4.18Å; V618-L622 WeakPolarHBondContact O-CB 3.37Å; V618-L622 WeakPolarHBondContact O-CG 3.36Å; V618-L622 PolarHBondContact O-N 2.74Å
619	E	67	Low	75.8	Confident	15 Å²	15	29.7 Å²	29.7	7%	0.07	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-51.1	178.5	-48.7	-165.4	154.6	0	0	112	S615 A616 E617 L621 L622 Q623 A1155	S615-E619 WeakPolarHBondContact O-CG 3.41Å; S615-E619 PolarHBondContact O-N 3.02Å; A616-E619 WeakPolarHBondContact O-CB 2.94Å; A616-E619 PolarHBondContact O-N 3.37Å; E617-E619 PolarHBondContact O-N 3.13Å; E619-L621 VanDerWaalsContact C-N 3.31Å; E619-L621 PolarHBondContact O-N 3.04Å; E619-L622 PolarHBondContact O-N 3.33Å; E619-Q623 VanDerWaalsContact O-CG 3.26Å; E619-Q623 WeakPolarHBondContact O-CG 3.41Å; E619-Q623 PolarHBondContact O-N 2.77Å; E619-A1155 VanDerWaalsContact CB-CA 3.5Å; E619-A1155 HydrophobicContact CB-CB 3.24Å; E619-A1155 VanDerWaalsContact CD-CB 3.48Å; E619-A1155 VanDerWaalsContact CD-N 3.26Å; E619-A1155 VanDerWaalsContact CG-CA 3.45Å; E619-A1155 HydrophobicContact CG-CB 3.22Å; E619-A1155 WeakPolarHBondContact OE1-CA 3.13Å; E619-A1155 PolarHBondContact OE1-N 3.09Å; E619-A1155 WeakPolarHBondContact OE2-CA 3.27Å
620	D	72.6	Confident	74.6	Confident	63 Å²	63	27.8 Å²	27.8	34%	0.337	17%	0.165	S	C	.	.	H	α-helix	trans	-58.7	-43.7	178.1	-172.2	49.2	0	0	0	111.2	Y580 A616 E617 Q623 S624	Y580-D620 HydrophobicContact CD2-CB 4.47Å; Y580-D620 WeakPolarHBondContact CD2-OD2 3.39Å; Y580-D620 HydrophobicContact CE2-CB 4.2Å; Y580-D620 WeakPolarHBondContact CE2-OD2 3.48Å; A616-D620 PolarHBondContact O-N 3.18Å; E617-D620 PolarHBondContact O-N 3.36Å; D620-Q623 WeakPolarHBondContact O-CB 3.43Å; D620-Q623 PolarHBondContact O-N 3.4Å; D620-S624 PolarHBondContact O-N 3.27Å; D620-S624 VanDerWaalsContact O-N 3.09Å; D620-S624 PolarHBondContact O-OG 3.2Å
621	L	78.4	Confident	73.3	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-44.7	177.2	-175.4	86.8	0	0	0	112.6	V539 L545 L574 Y580 V584 L612 E617 V618 E619 Q623 S624 L625	V539-L621 HydrophobicContact CG1-CD2 3.57Å; V539-L621 HydrophobicContact CG2-CD2 4.22Å; L545-L621 HydrophobicContact CD1-CD1 4.29Å; L545-L621 HydrophobicContact CD1-CD2 3.54Å; L545-L621 HydrophobicContact CD2-CD1 4.23Å; L545-L621 HydrophobicContact CD2-CD2 3.7Å; L545-L621 HydrophobicContact CD2-CG 4.4Å; L545-L621 HydrophobicContact CG-CD2 3.81Å; L574-L621 HydrophobicContact CD1-CD1 4.1Å; L574-L621 HydrophobicContact CD2-CD1 4.46Å; Y580-L621 HydrophobicContact CD1-CD1 4.07Å; Y580-L621 HydrophobicContact CD2-CB 4.02Å; Y580-L621 HydrophobicContact CD2-CD1 3.92Å; Y580-L621 HydrophobicContact CE1-CD1 4.02Å; Y580-L621 HydrophobicContact CE2-CB 3.66Å; Y580-L621 HydrophobicContact CE2-CD1 3.86Å; Y580-L621 HydrophobicContact CE2-CG 4.39Å; Y580-L621 HydrophobicContact CG-CD1 4Å; V584-L621 HydrophobicContact CG2-CD1 3.94Å; L612-L621 HydrophobicContact CD1-CD2 3.85Å; L612-L621 HydrophobicContact CD2-CD2 4.35Å; E617-L621 VanDerWaalsContact O-CB 3.28Å; E617-L621 WeakPolarHBondContact O-CB 3.14Å; E617-L621 PolarHBondContact O-N 3.24Å; V618-L621 PolarHBondContact O-N 3.1Å; E619-L621 VanDerWaalsContact C-N 3.31Å; E619-L621 PolarHBondContact O-N 3.04Å; L621-Q623 VanDerWaalsContact C-N 3.27Å; L621-Q623 PolarHBondContact O-N 3.41Å; L621-S624 WeakPolarHBondContact O-CB 3.34Å; L621-S624 PolarHBondContact O-N 3.01Å; L621-L625 PolarHBondContact O-N 3.37Å
622	L	70.1	Confident	72.1	Confident	10 Å²	10	25.2 Å²	25.2	5%	0.052	16%	0.158	C	C	.	.	H	α-helix	trans	-63.7	-36	178.9	-73.1	172.4	0	0	0	111.4	I513 I515 V539 V618 E619 L625 V626 W1156	I513-L622 HydrophobicContact CD1-CD1 3.9Å; I515-L622 HydrophobicContact CD1-CD2 3.76Å; V539-L622 HydrophobicContact CB-CD2 4.5Å; V539-L622 HydrophobicContact CG1-CD2 4.36Å; V539-L622 HydrophobicContact CG1-CG 4.48Å; V539-L622 HydrophobicContact CG2-CD2 4.37Å; V618-L622 HydrophobicContact CG1-CD1 3.73Å; V618-L622 HydrophobicContact CG1-CG 4.18Å; V618-L622 WeakPolarHBondContact O-CB 3.37Å; V618-L622 WeakPolarHBondContact O-CG 3.36Å; V618-L622 PolarHBondContact O-N 2.74Å; E619-L622 PolarHBondContact O-N 3.33Å; L622-L625 HydrophobicContact CD2-CD2 4.46Å; L622-L625 WeakPolarHBondContact O-CB 3.25Å; L622-L625 PolarHBondContact O-N 2.94Å; L622-V626 WeakPolarHBondContact O-CG2 3.38Å; L622-V626 PolarHBondContact O-N 3.4Å; L622-W1156 HydrophobicContact CB-CZ3 4.18Å
623	Q	68.5	Low	70.8	Confident	19 Å²	19	32.7 Å²	32.7	9%	0.089	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-45.8	172.7	-67.5	165.6	36	0	0	111.4	E619 D620 L621 L625 V626 L627 A1155 V1159	E619-Q623 VanDerWaalsContact O-CG 3.26Å; E619-Q623 WeakPolarHBondContact O-CG 3.41Å; E619-Q623 PolarHBondContact O-N 2.77Å; D620-Q623 WeakPolarHBondContact O-CB 3.43Å; D620-Q623 PolarHBondContact O-N 3.4Å; L621-Q623 VanDerWaalsContact C-N 3.27Å; L621-Q623 PolarHBondContact O-N 3.41Å; Q623-L625 VanDerWaalsContact C-N 3.26Å; Q623-L625 PolarHBondContact O-N 3.49Å; Q623-V626 PolarHBondContact O-N 2.94Å; Q623-L627 WeakPolarHBondContact O-CG 3.48Å; Q623-L627 PolarHBondContact O-N 3.46Å; Q623-A1155 PolarHBondContact NE2-O 3.4Å; Q623-A1155 VanDerWaalsContact NE2-O 3.1Å; Q623-V1159 HydrophobicContact CG-CG2 4.01Å
624	S	75.5	Confident	69.4	Low	2 Å²	2	28.9 Å²	28.9	1%	0.014	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-36.7	174.3	-65.1	0	0	0	0	112.3	G578 Y580 D620 L621 L627 V628	G578-S624 WeakPolarHBondContact CA-O 3.33Å; G578-S624 WeakPolarHBondContact O-CA 3.18Å; G578-S624 VanDerWaalsContact O-CB 3.28Å; G578-S624 WeakPolarHBondContact O-CB 3.01Å; G578-S624 PolarHBondContact O-OG 2.89Å; Y580-S624 WeakPolarHBondContact CA-OG 3.3Å; Y580-S624 WeakPolarHBondContact CB-OG 3.47Å; Y580-S624 PolarHBondContact N-OG 2.9Å; D620-S624 PolarHBondContact O-N 3.27Å; D620-S624 VanDerWaalsContact O-N 3.09Å; D620-S624 PolarHBondContact O-OG 3.2Å; L621-S624 WeakPolarHBondContact O-CB 3.34Å; L621-S624 PolarHBondContact O-N 3.01Å; S624-L627 PolarHBondContact O-N 2.88Å; S624-V628 WeakPolarHBondContact O-CG2 3.45Å; S624-V628 PolarHBondContact O-N 3.3Å
625	L	74.8	Confident	68	Low	9 Å²	9	27.3 Å²	27.3	5%	0.047	15%	0.148	C	C	.	.	H	α-helix	trans	-66.8	-42.7	179.5	-166.9	71.1	0	0	0	112.5	I515 W520 L537 L570 L574 L621 L622 Q623 L627 V628 S629	I515-L625 HydrophobicContact CD1-CD2 3.35Å; W520-L625 HydrophobicContact CH2-CD1 3.45Å; W520-L625 VanDerWaalsContact CH2-CD1 3.45Å; W520-L625 HydrophobicContact CH2-CD2 3.77Å; W520-L625 HydrophobicContact CH2-CG 3.69Å; W520-L625 HydrophobicContact CZ2-CD1 4.33Å; W520-L625 HydrophobicContact CZ2-CD2 4.14Å; W520-L625 HydrophobicContact CZ3-CD1 3.74Å; W520-L625 HydrophobicContact CZ3-CG 4.37Å; L537-L625 HydrophobicContact CD2-CD1 3.98Å; L537-L625 HydrophobicContact CD2-CD2 3.88Å; L570-L625 HydrophobicContact CD1-CD1 3.89Å; L574-L625 HydrophobicContact CD2-CB 4.01Å; L574-L625 HydrophobicContact CD2-CD1 3.85Å; L621-L625 PolarHBondContact O-N 3.37Å; L622-L625 HydrophobicContact CD2-CD2 4.46Å; L622-L625 WeakPolarHBondContact O-CB 3.25Å; L622-L625 PolarHBondContact O-N 2.94Å; Q623-L625 VanDerWaalsContact C-N 3.26Å; Q623-L625 PolarHBondContact O-N 3.49Å; L625-L627 VanDerWaalsContact C-N 3.26Å; L625-L627 PolarHBondContact O-N 3.34Å; L625-V628 WeakPolarHBondContact O-CB 3.47Å; L625-V628 PolarHBondContact O-N 3.43Å; L625-S629 PolarHBondContact O-N 3.44Å; L625-S629 PolarHBondContact O-OG 3.01Å
626	V	68.8	Low	67	Low	33 Å²	33	24.8 Å²	24.8	20%	0.2	13%	0.13	C	C	.	.	H	α-helix	trans	-57.9	-42.7	175.4	170.1	0	0	0	0	111.6	L622 Q623 S629 L630 W1156	L622-V626 WeakPolarHBondContact O-CG2 3.38Å; L622-V626 PolarHBondContact O-N 3.4Å; Q623-V626 PolarHBondContact O-N 2.94Å; V626-S629 PolarHBondContact O-N 2.86Å; V626-L630 HydrophobicContact CG1-CD1 3.82Å; V626-L630 HydrophobicContact CG1-CG 4.47Å; V626-L630 WeakPolarHBondContact O-CG 3.47Å; V626-L630 PolarHBondContact O-N 3.42Å; V626-W1156 HydrophobicContact CG2-CH2 3.31Å; V626-W1156 HydrophobicContact CG2-CZ2 3.64Å; V626-W1156 HydrophobicContact CG2-CZ3 4.45Å
627	L	66.3	Low	66.1	Low	3 Å²	3	22.6 Å²	22.6	2%	0.016	11%	0.112	C	C	.	.	H	α-helix	trans	-65	-42	178.9	-65.2	171.4	0	0	0	111.4	L472 V475 Q623 S624 L625 S629 L630 C631	L472-L627 HydrophobicContact CB-CD2 4Å; L472-L627 HydrophobicContact CD2-CB 4.1Å; L472-L627 HydrophobicContact CD2-CD1 3.5Å; L472-L627 VanDerWaalsContact CD2-CD1 3.5Å; L472-L627 HydrophobicContact CD2-CD2 3.33Å; L472-L627 HydrophobicContact CD2-CG 3.78Å; L472-L627 HydrophobicContact CG-CD2 3.59Å; V475-L627 HydrophobicContact CG1-CD2 4.34Å; Q623-L627 WeakPolarHBondContact O-CG 3.48Å; Q623-L627 PolarHBondContact O-N 3.46Å; S624-L627 PolarHBondContact O-N 2.88Å; L625-L627 VanDerWaalsContact C-N 3.26Å; L625-L627 PolarHBondContact O-N 3.34Å; L627-S629 VanDerWaalsContact C-N 3.31Å; L627-S629 PolarHBondContact O-N 3.32Å; L627-L630 PolarHBondContact O-N 3.27Å; L627-C631 PolarHBondContact O-N 2.68Å; L627-C631 VanDerWaalsContact O-N 3.1Å; L627-C631 PolarHBondContact O-SG 2.85Å; L627-C631 VanDerWaalsContact O-SG 3.4Å
628	V	71.2	Confident	65.2	Low	2 Å²	2	19.6 Å²	19.6	1%	0.012	10%	0.098	C	C	.	.	H	α-helix	trans	-58.8	-44.9	172.3	171.7	0	0	0	0	110.9	I524 L570 R573 L574 L577 S624 L625 C631 S632	I524-V628 HydrophobicContact CG2-CG1 3.91Å; L570-V628 HydrophobicContact CD1-CG1 4.5Å; R573-V628 VanDerWaalsContact C-CG2 3.44Å; R573-V628 HydrophobicContact CB-CG1 3.78Å; R573-V628 HydrophobicContact CB-CG2 3.91Å; R573-V628 VanDerWaalsContact O-CG2 3.3Å; R573-V628 WeakPolarHBondContact O-CG2 3.43Å; L574-V628 HydrophobicContact CD2-CG2 4.38Å; L577-V628 HydrophobicContact CB-CG2 4.32Å; S624-V628 WeakPolarHBondContact O-CG2 3.45Å; S624-V628 PolarHBondContact O-N 3.3Å; L625-V628 WeakPolarHBondContact O-CB 3.47Å; L625-V628 PolarHBondContact O-N 3.43Å; V628-C631 PolarHBondContact O-N 3.25Å; V628-S632 PolarHBondContact O-N 2.66Å
629	S	67.4	Low	64.8	Low	11 Å²	11	21.1 Å²	21.1	8%	0.077	10%	0.104	C	C	.	.	H	α-helix	trans	-64.7	-38.6	178.9	-61.7	0	0	0	0	112.9	L625 V626 L627 S632 S637	L625-S629 PolarHBondContact O-N 3.44Å; L625-S629 PolarHBondContact O-OG 3.01Å; V626-S629 PolarHBondContact O-N 2.86Å; L627-S629 VanDerWaalsContact C-N 3.31Å; L627-S629 PolarHBondContact O-N 3.32Å; S629-S632 VanDerWaalsContact O-CB 3.22Å; S629-S632 WeakPolarHBondContact O-CB 3.25Å; S629-S632 PolarHBondContact O-N 3.25Å; S629-S637 WeakPolarHBondContact O-CA 3.44Å; S629-S637 WeakPolarHBondContact O-CB 3.23Å; S629-S637 PolarHBondContact O-OG 3.35Å
630	L	62.5	Low	64.5	Low	3 Å²	3	21.5 Å²	21.5	2%	0.016	11%	0.106	C	C	.	.	H	α-helix	trans	-72.8	-27.5	178.7	-79.4	165.9	0	0	0	114.3	V475 V626 L627 S632 S637 L640	V475-L630 HydrophobicContact CB-CD1 4.27Å; V475-L630 HydrophobicContact CG1-CD1 3.16Å; V475-L630 HydrophobicContact CG2-CD1 4.08Å; V626-L630 HydrophobicContact CG1-CD1 3.82Å; V626-L630 HydrophobicContact CG1-CG 4.47Å; V626-L630 WeakPolarHBondContact O-CG 3.47Å; V626-L630 PolarHBondContact O-N 3.42Å; L627-L630 PolarHBondContact O-N 3.27Å; L630-S632 VanDerWaalsContact C-N 3.25Å; L630-S637 VanDerWaalsContact C-OG 3.3Å; L630-S637 PolarHBondContact O-OG 3.24Å; L630-L640 HydrophobicContact CD2-CB 3.56Å
631	C	61.1	Low	64.2	Low	31 Å²	31	18.6 Å²	18.6	21%	0.209	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	3.9	175.8	-63.7	0	0	0	0	112.6	L577 L627 V628 P854	L577-C631 HydrophobicContact CD1-CB 4Å; L627-C631 PolarHBondContact O-N 2.68Å; L627-C631 VanDerWaalsContact O-N 3.1Å; L627-C631 PolarHBondContact O-SG 2.85Å; L627-C631 VanDerWaalsContact O-SG 3.4Å; V628-C631 PolarHBondContact O-N 3.25Å; C631-P854 HydrophobicContact CB-CG 4.48Å
632	S	61.6	Low	63.8	Low	8 Å²	8	19.5 Å²	19.5	6%	0.056	10%	0.098	C	C	.	.	S	Bend	trans	-84.2	165.3	-179.6	-176.4	0	0	0	0	113.3	D523 V628 S629 L630 S634 S637	D523-S632 WeakPolarHBondContact CA-OG 3.47Å; D523-S632 WeakPolarHBondContact O-CB 3.47Å; D523-S632 PolarHBondContact O-OG 2.81Å; V628-S632 PolarHBondContact O-N 2.66Å; S629-S632 VanDerWaalsContact O-CB 3.22Å; S629-S632 WeakPolarHBondContact O-CB 3.25Å; S629-S632 PolarHBondContact O-N 3.25Å; L630-S632 VanDerWaalsContact C-N 3.25Å; S632-S634 PolarHBondContact OG-N 2.72Å; S632-S637 WeakPolarHBondContact O-CB 3.34Å; S632-S637 PolarHBondContact O-OG 2.9Å
633	R	56.5	Low	63.7	Low	158 Å²	158	20.2 Å²	20.2	60%	0.596	10%	0.101	S	C	*	.	S	Bend	trans	-99.4	31.6	172.9	-59.6	-173.3	179.4	-165.9	-1.3	112.7
634	S	54.5	Low	64	Low	4 Å²	4	19.3 Å²	19.3	3%	0.028	10%	0.097	C	C	.	.	S	Bend	trans	-104.4	157.2	177.1	75.9	0	0	0	0	112.4	D523 S632 L636 S637 D638	D523-S634 WeakPolarHBondContact OD1-CB 3.02Å; D523-S634 PolarHBondContact OD1-OG 3.46Å; S632-S634 PolarHBondContact OG-N 2.72Å; S634-L636 PolarHBondContact O-N 2.77Å; S634-S637 WeakPolarHBondContact O-CA 3.45Å; S634-S637 WeakPolarHBondContact O-CB 3.11Å; S634-S637 PolarHBondContact O-N 3.21Å; S634-D638 VanDerWaalsContact O-CG 3.25Å; S634-D638 PolarHBondContact O-N 3Å
635	V	50.6	Low	64	Low	13 Å²	13	19.7 Å²	19.7	8%	0.079	10%	0.098	C	C	.	.	H	α-helix	trans	-42.6	-36.3	174.3	-170.7	0	0	0	0	112.7	D638 Q639 E882 G883	V635-D638 VanDerWaalsContact CA-OD2 3.24Å; V635-D638 WeakPolarHBondContact CA-OD2 3.34Å; V635-D638 PolarHBondContact N-OD2 2.7Å; V635-D638 PolarHBondContact O-N 2.68Å; V635-Q639 HydrophobicContact CG1-CG 4.45Å; V635-Q639 VanDerWaalsContact O-CG 3.31Å; V635-Q639 WeakPolarHBondContact O-CG 3.34Å; V635-Q639 PolarHBondContact O-N 3.42Å; V635-E882 WeakPolarHBondContact CG2-O 3.4Å; V635-G883 WeakPolarHBondContact CG2-O 3.36Å
636	L	52.6	Low	64.2	Low	8 Å²	8	24.2 Å²	24.2	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-71.6	-47	-178.1	-69.6	156.7	0	0	0	111.8	S634 D638 Q639 L640 I1052	S634-L636 PolarHBondContact O-N 2.77Å; L636-D638 PolarHBondContact O-N 3.45Å; L636-Q639 PolarHBondContact O-N 3.4Å; L636-L640 WeakPolarHBondContact O-CB 3.46Å; L636-L640 WeakPolarHBondContact O-CD1 3.29Å; L636-L640 WeakPolarHBondContact O-CG 3.01Å; L636-L640 PolarHBondContact O-N 3.23Å; L636-I1052 HydrophobicContact CD1-CB 3.69Å; L636-I1052 HydrophobicContact CD1-CD1 3.55Å; L636-I1052 HydrophobicContact CD1-CG1 3.3Å; L636-I1052 HydrophobicContact CD2-CB 3.94Å; L636-I1052 HydrophobicContact CD2-CG1 4.5Å; L636-I1052 HydrophobicContact CG-CB 4.39Å; L636-I1052 HydrophobicContact CG-CG1 4.42Å
637	S	57.3	Low	64.6	Low	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-53.5	-41.4	170.6	-175.4	0	0	0	0	111.7	S629 L630 S632 S634 G641 K970	S629-S637 WeakPolarHBondContact O-CA 3.44Å; S629-S637 WeakPolarHBondContact O-CB 3.23Å; S629-S637 PolarHBondContact O-OG 3.35Å; L630-S637 VanDerWaalsContact C-OG 3.3Å; L630-S637 PolarHBondContact O-OG 3.24Å; S632-S637 WeakPolarHBondContact O-CB 3.34Å; S632-S637 PolarHBondContact O-OG 2.9Å; S634-S637 WeakPolarHBondContact O-CA 3.45Å; S634-S637 WeakPolarHBondContact O-CB 3.11Å; S634-S637 PolarHBondContact O-N 3.21Å; S637-G641 PolarHBondContact O-N 2.83Å; S637-K970 PolarHBondContact OG-NZ 3.45Å
638	D	60.5	Low	65.3	Low	3 Å²	3	23 Å²	23	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-68.5	-49.5	-178.4	-49.3	-48.6	0	0	0	111.6	S634 V635 L636 G641 C642 Y884 K970	S634-D638 VanDerWaalsContact O-CG 3.25Å; S634-D638 PolarHBondContact O-N 3Å; V635-D638 VanDerWaalsContact CA-OD2 3.24Å; V635-D638 WeakPolarHBondContact CA-OD2 3.34Å; V635-D638 PolarHBondContact N-OD2 2.7Å; V635-D638 PolarHBondContact O-N 2.68Å; L636-D638 PolarHBondContact O-N 3.45Å; D638-G641 PolarHBondContact O-N 3.15Å; D638-C642 PolarHBondContact O-N 2.79Å; D638-C642 PolarHBondContact O-SG 3.16Å; D638-Y884 HydrophobicContact CB-CE1 3.8Å; D638-Y884 PolarHBondContact OD1-OH 2.65Å; D638-Y884 WeakPolarHBondContact OD2-CE1 3.31Å; D638-Y884 PolarHBondContact OD2-OH 2.88Å; D638-K970 HydrophobicContact CB-CD 4.25Å; D638-K970 WeakPolarHBondContact OD1-CD 3.49Å; D638-K970 WeakPolarHBondContact OD1-CE 3.21Å; D638-K970 IonicContact OD1-NZ 3.19Å; D638-K970 PolarHBondContact OD1-NZ 3.38Å
639	Q	62.1	Low	65.9	Low	47 Å²	47	23.7 Å²	23.7	22%	0.22	11%	0.113	C	C	.	.	H	α-helix	trans	-65.4	-44.3	178.2	-68.3	177.1	6.8	0	0	111	F486 V635 L636 G641 C642 E643	F486-Q639 HydrophobicContact CE1-CB 3.58Å; F486-Q639 VanDerWaalsContact CZ-C 3.42Å; F486-Q639 HydrophobicContact CZ-CB 3.9Å; F486-Q639 WeakPolarHBondContact CZ-O 3.31Å; V635-Q639 HydrophobicContact CG1-CG 4.45Å; V635-Q639 VanDerWaalsContact O-CG 3.31Å; V635-Q639 WeakPolarHBondContact O-CG 3.34Å; V635-Q639 PolarHBondContact O-N 3.42Å; L636-Q639 PolarHBondContact O-N 3.4Å; Q639-G641 VanDerWaalsContact C-N 3.29Å; Q639-G641 PolarHBondContact O-N 2.82Å; Q639-C642 WeakPolarHBondContact O-CB 3.39Å; Q639-C642 PolarHBondContact O-N 2.77Å; Q639-E643 WeakPolarHBondContact O-CG 3.32Å; Q639-E643 PolarHBondContact O-N 2.98Å
640	L	62	Low	66.7	Low	22 Å²	22	26.2 Å²	26.2	12%	0.115	12%	0.124	C	C	.	.	H	α-helix	trans	-57.6	-43.4	174	-86.3	153.7	0	0	0	111	L482 F486 L630 L636 E643 F644	L482-L640 HydrophobicContact CB-CD2 4.36Å; L482-L640 HydrophobicContact CD2-CD2 4.42Å; F486-L640 HydrophobicContact CD1-CG 4.47Å; F486-L640 HydrophobicContact CD2-CD2 3.56Å; F486-L640 HydrophobicContact CD2-CG 3.94Å; F486-L640 HydrophobicContact CE1-CG 4.47Å; F486-L640 HydrophobicContact CE2-CB 4.42Å; F486-L640 HydrophobicContact CE2-CD2 3.79Å; F486-L640 HydrophobicContact CE2-CG 3.93Å; F486-L640 HydrophobicContact CG-CD2 4.16Å; F486-L640 HydrophobicContact CG-CG 4.23Å; F486-L640 HydrophobicContact CZ-CG 4.21Å; L630-L640 HydrophobicContact CD2-CB 3.56Å; L636-L640 WeakPolarHBondContact O-CB 3.46Å; L636-L640 WeakPolarHBondContact O-CD1 3.29Å; L636-L640 WeakPolarHBondContact O-CG 3.01Å; L636-L640 PolarHBondContact O-N 3.23Å; L640-E643 PolarHBondContact O-N 2.8Å; L640-F644 WeakPolarHBondContact O-CB 3.05Å; L640-F644 PolarHBondContact O-N 3.1Å
641	G	65.9	Low	67.8	Low	3 Å²	3	29.3 Å²	29.3	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-39.7	176.6	0	0	0	0	0	113.3	S637 D638 Q639 F644 F645	S637-G641 PolarHBondContact O-N 2.83Å; D638-G641 PolarHBondContact O-N 3.15Å; Q639-G641 VanDerWaalsContact C-N 3.29Å; Q639-G641 PolarHBondContact O-N 2.82Å; G641-F644 WeakPolarHBondContact O-CB 3.24Å; G641-F644 PolarHBondContact O-N 3.22Å; G641-F645 WeakPolarHBondContact O-CD2 3.28Å; G641-F645 PolarHBondContact O-N 3.01Å
642	C	70.5	Confident	69	Low	21 Å²	21	28.3 Å²	28.3	14%	0.142	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-42.2	174.1	-65.3	0	0	0	0	112.1	D638 Q639 F645 K646 N944	D638-C642 PolarHBondContact O-N 2.79Å; D638-C642 PolarHBondContact O-SG 3.16Å; Q639-C642 WeakPolarHBondContact O-CB 3.39Å; Q639-C642 PolarHBondContact O-N 2.77Å; C642-F645 PolarHBondContact O-N 3.39Å; C642-K646 WeakPolarHBondContact O-CG 3.27Å; C642-K646 PolarHBondContact O-N 3.06Å; C642-N944 PolarHBondContact SG-ND2 2.81Å; C642-N944 VanDerWaalsContact SG-ND2 3.4Å; C642-N944 PolarHBondContact SG-OD1 3.16Å
643	E	68.5	Low	70.4	Confident	24 Å²	24	28 Å²	28	11%	0.112	13%	0.128	C	C	.	.	H	α-helix	trans	-68.8	-36.1	176.3	-71.8	-57.9	139.9	0	0	111.9	L482 R485 F486 Q639 L640 K646 L647	L482-E643 HydrophobicContact CD2-CB 3.82Å; R485-E643 IonicContact CZ-OE2 3.81Å; R485-E643 IonicContact NE-OE2 2.76Å; R485-E643 IonicContact NH1-OE2 2.75Å; R485-E643 PolarHBondContact NH1-OE2 3.04Å; R485-E643 IonicContact NH2-OE2 2.59Å; F486-E643 HydrophobicContact CE2-CB 3.62Å; F486-E643 HydrophobicContact CE2-CG 3.47Å; F486-E643 VanDerWaalsContact CE2-CG 3.47Å; F486-E643 HydrophobicContact CZ-CB 3.88Å; F486-E643 HydrophobicContact CZ-CG 3.31Å; Q639-E643 WeakPolarHBondContact O-CG 3.32Å; Q639-E643 PolarHBondContact O-N 2.98Å; L640-E643 PolarHBondContact O-N 2.8Å; E643-K646 PolarHBondContact O-N 3.45Å; E643-K646 WeakPolarHBondContact OE1-CD 3.38Å; E643-K646 IonicContact OE1-NZ 2.73Å; E643-K646 PolarHBondContact OE1-NZ 2.93Å; E643-L647 VanDerWaalsContact O-CG 3.31Å; E643-L647 WeakPolarHBondContact O-CG 3.08Å; E643-L647 PolarHBondContact O-N 2.56Å
644	F	73.5	Confident	71.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.8	-51.9	171.2	171.3	-106.9	0	0	0	110.8	K474 V475 H478 L640 G641 K646 L647 C648 Q851 L853	K474-F644 HydrophobicContact CB-CE2 4.24Å; K474-F644 HydrophobicContact CB-CZ 4.08Å; V475-F644 VanDerWaalsContact CA-CE2 3.44Å; V475-F644 HydrophobicContact CB-CD2 4.32Å; V475-F644 HydrophobicContact CB-CE2 4.11Å; V475-F644 HydrophobicContact CG2-CD1 4.33Å; V475-F644 HydrophobicContact CG2-CD2 3.67Å; V475-F644 HydrophobicContact CG2-CE1 4.19Å; V475-F644 HydrophobicContact CG2-CE2 3.54Å; V475-F644 HydrophobicContact CG2-CG 4.08Å; V475-F644 HydrophobicContact CG2-CZ 3.8Å; H478-F644 AromaticContact CD2-CD2 3.86Å; H478-F644 AromaticContact CD2-CE2 3.78Å; L640-F644 WeakPolarHBondContact O-CB 3.05Å; L640-F644 PolarHBondContact O-N 3.1Å; G641-F644 WeakPolarHBondContact O-CB 3.24Å; G641-F644 PolarHBondContact O-N 3.22Å; F644-K646 VanDerWaalsContact C-N 3.31Å; F644-K646 PolarHBondContact O-N 3.49Å; F644-L647 WeakPolarHBondContact O-CB 3.4Å; F644-L647 PolarHBondContact O-N 3Å; F644-C648 VanDerWaalsContact CZ-SG 3.5Å; F644-C648 PolarHBondContact O-N 3.42Å; F644-C648 PolarHBondContact O-SG 2.85Å; F644-C648 VanDerWaalsContact O-SG 3.34Å; F644-Q851 HydrophobicContact CE1-CB 4.37Å; F644-L853 HydrophobicContact CD1-CD1 4.03Å; F644-L853 HydrophobicContact CD1-CG 4.4Å
645	F	76.6	Confident	73.5	Confident	10 Å²	10	27.8 Å²	27.8	4%	0.044	13%	0.134	C	C	.	.	H	α-helix	trans	-61.1	-37.2	176.4	-69.3	-44.3	0	0	0	113.1	G641 C642 L647 C648 I649 H807 C808 L853 V969	G641-F645 WeakPolarHBondContact O-CD2 3.28Å; G641-F645 PolarHBondContact O-N 3.01Å; C642-F645 PolarHBondContact O-N 3.39Å; F645-L647 VanDerWaalsContact C-N 3.28Å; F645-L647 PolarHBondContact O-N 3.11Å; F645-C648 PolarHBondContact O-N 3.04Å; F645-I649 WeakPolarHBondContact O-CD1 3.44Å; F645-I649 WeakPolarHBondContact O-CG1 3.44Å; F645-I649 PolarHBondContact O-N 3.23Å; F645-H807 HydrophobicContact CB-CB 4.1Å; F645-H807 VanDerWaalsContact CD1-CA 3.46Å; F645-H807 HydrophobicContact CD1-CB 3.74Å; F645-H807 AromaticContact CD1-ND1 3.94Å; F645-H807 HydrophobicContact CE1-CB 4.38Å; F645-H807 HydrophobicContact CG-CB 3.97Å; F645-C808 WeakPolarHBondContact CZ-O 3.26Å; F645-L853 HydrophobicContact CE2-CD1 4.05Å; F645-L853 HydrophobicContact CZ-CB 4.31Å; F645-L853 HydrophobicContact CZ-CD1 4Å; F645-L853 HydrophobicContact CZ-CG 4.15Å; F645-V969 HydrophobicContact CD2-CG1 3.57Å; F645-V969 HydrophobicContact CE2-CG1 3.7Å
646	K	79.1	Confident	75.4	Confident	104 Å²	104	27.3 Å²	27.3	45%	0.452	13%	0.131	S	C	.	.	H	α-helix	trans	-60.2	-39.1	173.8	-74	174.1	-169.5	173	0	112.1	C642 E643 F644 E650	C642-K646 WeakPolarHBondContact O-CG 3.27Å; C642-K646 PolarHBondContact O-N 3.06Å; E643-K646 PolarHBondContact O-N 3.45Å; E643-K646 WeakPolarHBondContact OE1-CD 3.38Å; E643-K646 IonicContact OE1-NZ 2.73Å; E643-K646 PolarHBondContact OE1-NZ 2.93Å; F644-K646 VanDerWaalsContact C-N 3.31Å; F644-K646 PolarHBondContact O-N 3.49Å; K646-E650 WeakPolarHBondContact O-CG 3.13Å; K646-E650 PolarHBondContact O-N 3.4Å
647	L	76.8	Confident	77.3	Confident	11 Å²	11	28.1 Å²	28.1	6%	0.058	14%	0.138	C	C	.	.	H	α-helix	trans	-69.9	-40.9	178.6	-66.2	169.7	0	0	0	111.8	H478 T481 L482 E643 F644 F645 I649 E650 E651	H478-L647 HydrophobicContact CB-CB 4.27Å; H478-L647 HydrophobicContact CB-CD1 3.72Å; H478-L647 VanDerWaalsContact CD2-CB 3.47Å; H478-L647 WeakPolarHBondContact CD2-CB 3.24Å; T481-L647 HydrophobicContact CG2-CD1 3.97Å; T481-L647 HydrophobicContact CG2-CD2 3.5Å; T481-L647 HydrophobicContact CG2-CG 4.39Å; L482-L647 HydrophobicContact CD2-CD1 3.8Å; L482-L647 HydrophobicContact CG-CD1 3.92Å; E643-L647 VanDerWaalsContact O-CG 3.31Å; E643-L647 WeakPolarHBondContact O-CG 3.08Å; E643-L647 PolarHBondContact O-N 2.56Å; F644-L647 WeakPolarHBondContact O-CB 3.4Å; F644-L647 PolarHBondContact O-N 3Å; F645-L647 VanDerWaalsContact C-N 3.28Å; F645-L647 PolarHBondContact O-N 3.11Å; L647-I649 PolarHBondContact O-N 3.44Å; L647-E650 WeakPolarHBondContact O-CB 3.4Å; L647-E650 PolarHBondContact O-N 2.66Å; L647-E651 PolarHBondContact O-N 2.88Å
648	C	79.9	Confident	78.9	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-45.7	173.4	-58.5	0	0	0	0	111.1	H478 F644 F645 E650 E651 E652 H807 Q851	H478-C648 PolarHBondContact NE2-N 3.36Å; F644-C648 VanDerWaalsContact CZ-SG 3.5Å; F644-C648 PolarHBondContact O-N 3.42Å; F644-C648 PolarHBondContact O-SG 2.85Å; F644-C648 VanDerWaalsContact O-SG 3.34Å; F645-C648 PolarHBondContact O-N 3.04Å; C648-E650 VanDerWaalsContact C-N 3.28Å; C648-E650 PolarHBondContact O-N 3.39Å; C648-E651 WeakPolarHBondContact O-CA 3.36Å; C648-E651 WeakPolarHBondContact O-CB 3.36Å; C648-E651 PolarHBondContact O-N 3.42Å; C648-E652 PolarHBondContact O-N 3.36Å; C648-H807 VanDerWaalsContact CB-CE1 3.43Å; C648-H807 WeakPolarHBondContact CB-CE1 3.43Å; C648-Q851 PolarHBondContact SG-OE1 3.24Å
649	I	85.3	Confident	80.3	Confident	15 Å²	15	36.9 Å²	36.9	8%	0.077	17%	0.173	C	C	.	.	H	α-helix	trans	-59.3	-39	175.8	-65.8	161.4	0	0	0	111.4	F645 L647 E651 E652 A653 R675 A678 L679	F645-I649 WeakPolarHBondContact O-CD1 3.44Å; F645-I649 WeakPolarHBondContact O-CG1 3.44Å; F645-I649 PolarHBondContact O-N 3.23Å; L647-I649 PolarHBondContact O-N 3.44Å; I649-E651 VanDerWaalsContact C-N 3.29Å; I649-E651 PolarHBondContact O-N 3.18Å; I649-E652 PolarHBondContact O-N 2.85Å; I649-A653 VanDerWaalsContact O-CB 3.25Å; I649-A653 WeakPolarHBondContact O-CB 2.94Å; I649-A653 PolarHBondContact O-N 3.35Å; I649-R675 HydrophobicContact CD1-CB 3.82Å; I649-R675 HydrophobicContact CD1-CG 3.84Å; I649-R675 HydrophobicContact CG1-CB 4.25Å; I649-R675 HydrophobicContact CG1-CG 4.45Å; I649-A678 HydrophobicContact CD1-CB 4.24Å; I649-A678 HydrophobicContact CG2-CB 4.09Å; I649-L679 HydrophobicContact CG2-CD2 4Å; I649-L679 HydrophobicContact CG2-CG 4.42Å
650	E	84.6	Confident	81.6	Confident	64 Å²	64	34.7 Å²	34.7	30%	0.299	16%	0.162	S	C	.	.	H	α-helix	trans	-65.3	-33.5	175.9	-76.9	-174	170.3	0	0	112.8	K646 L647 C648 R654 K682	K646-E650 WeakPolarHBondContact O-CG 3.13Å; K646-E650 PolarHBondContact O-N 3.4Å; L647-E650 WeakPolarHBondContact O-CB 3.4Å; L647-E650 PolarHBondContact O-N 2.66Å; C648-E650 VanDerWaalsContact C-N 3.28Å; C648-E650 PolarHBondContact O-N 3.39Å; E650-R654 WeakPolarHBondContact O-CB 3.25Å; E650-R654 PolarHBondContact O-N 2.88Å; E650-K682 HydrophobicContact CG-CD 4.41Å; E650-K682 IonicContact OE1-NZ 2.72Å; E650-K682 PolarHBondContact OE1-NZ 3.34Å
651	E	84	Confident	82.7	Confident	69 Å²	69	43.1 Å²	43.1	32%	0.322	19%	0.193	S	C	.	.	H	α-helix	trans	-70.9	-45.8	173.9	-175.3	169.6	-175.1	0	0	112.8	H478 L647 C648 I649 A653 R654 A655	H478-E651 IonicContact CE1-OE2 2.89Å; H478-E651 PolarHBondContact CE1-OE2 3.19Å; H478-E651 IonicContact NE2-OE2 2.72Å; L647-E651 PolarHBondContact O-N 2.88Å; C648-E651 WeakPolarHBondContact O-CA 3.36Å; C648-E651 WeakPolarHBondContact O-CB 3.36Å; C648-E651 PolarHBondContact O-N 3.42Å; I649-E651 VanDerWaalsContact C-N 3.29Å; I649-E651 PolarHBondContact O-N 3.18Å; E651-A653 VanDerWaalsContact C-N 3.32Å; E651-A653 PolarHBondContact O-N 2.9Å; E651-R654 CarbonylContact O-C 3.54Å; E651-R654 WeakPolarHBondContact O-CA 3.43Å; E651-R654 WeakPolarHBondContact O-CB 3.48Å; E651-R654 PolarHBondContact O-N 3.25Å; E651-R654 VanDerWaalsContact O-N 3.08Å; E651-A655 PolarHBondContact O-N 3.06Å
652	E	87.6	Confident	83.6	Confident	10 Å²	10	50.3 Å²	50.3	5%	0.047	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-42.6	175.3	-171.5	158.3	-128.6	0	0	111.1	C648 I649 R654 A655 L656 L679 I802 S804 H807	C648-E652 PolarHBondContact O-N 3.36Å; I649-E652 PolarHBondContact O-N 2.85Å; E652-R654 PolarHBondContact O-N 3.14Å; E652-A655 PolarHBondContact O-N 3.36Å; E652-L656 VanDerWaalsContact O-CB 3.28Å; E652-L656 WeakPolarHBondContact O-CB 3.19Å; E652-L656 PolarHBondContact O-N 3.46Å; E652-L679 HydrophobicContact CB-CD2 4Å; E652-L679 HydrophobicContact CG-CD1 4.38Å; E652-L679 HydrophobicContact CG-CD2 3.92Å; E652-I802 HydrophobicContact CG-CG2 4.37Å; E652-I802 WeakPolarHBondContact OE1-CG2 3.47Å; E652-S804 PolarHBondContact OE1-OG 3.01Å; E652-H807 IonicContact OE2-CE1 3.94Å; E652-H807 IonicContact OE2-NE2 3.87Å; E652-H807 PolarHBondContact OE2-NE2 2.93Å
653	A	89.9	Confident	84.5	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-39.3	172.5	0	0	0	0	0	112.4	I649 E651 L656 S657 L679 K682 M683	I649-A653 VanDerWaalsContact O-CB 3.25Å; I649-A653 WeakPolarHBondContact O-CB 2.94Å; I649-A653 PolarHBondContact O-N 3.35Å; E651-A653 VanDerWaalsContact C-N 3.32Å; E651-A653 PolarHBondContact O-N 2.9Å; A653-L656 PolarHBondContact O-N 2.93Å; A653-S657 VanDerWaalsContact O-CB 3.29Å; A653-S657 WeakPolarHBondContact O-CB 3.18Å; A653-S657 PolarHBondContact O-N 3.27Å; A653-L679 HydrophobicContact CB-CD2 4.19Å; A653-K682 HydrophobicContact CB-CB 3.73Å; A653-K682 HydrophobicContact CB-CG 4.44Å; A653-M683 HydrophobicContact CB-SD 4.38Å
654	R	88.8	Confident	85.6	Confident	122 Å²	122	53.6 Å²	53.6	46%	0.46	24%	0.237	S	C	.	.	H	α-helix	trans	-63.2	-43.5	174.5	-171.9	-173.9	-58.5	102.6	6.5	110.8	E650 E651 E652 S657	E650-R654 WeakPolarHBondContact O-CB 3.25Å; E650-R654 PolarHBondContact O-N 2.88Å; E651-R654 CarbonylContact O-C 3.54Å; E651-R654 WeakPolarHBondContact O-CA 3.43Å; E651-R654 WeakPolarHBondContact O-CB 3.48Å; E651-R654 PolarHBondContact O-N 3.25Å; E651-R654 VanDerWaalsContact O-N 3.08Å; E652-R654 PolarHBondContact O-N 3.14Å; R654-S657 PolarHBondContact O-N 3.04Å; R654-S657 PolarHBondContact O-OG 3.4Å
655	A	88	Confident	86.6	Confident	35 Å²	35	55.1 Å²	55.1	29%	0.289	24%	0.244	S	C	.	.	H	α-helix	trans	-65.7	-41.6	177.6	0	0	0	0	0	112.3	E651 E652 R658	E651-A655 PolarHBondContact O-N 3.06Å; E652-A655 PolarHBondContact O-N 3.36Å; A655-R658 PolarHBondContact O-N 3.11Å
656	L	90.8	Very high	87.5	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-36.9	176.8	-174.2	61	0	0	0	112	E652 A653 R658 N659 I668 M683 W774 F776 K800 I802	E652-L656 VanDerWaalsContact O-CB 3.28Å; E652-L656 WeakPolarHBondContact O-CB 3.19Å; E652-L656 PolarHBondContact O-N 3.46Å; A653-L656 PolarHBondContact O-N 2.93Å; L656-R658 PolarHBondContact O-N 3.24Å; L656-R658 VanDerWaalsContact O-N 3.11Å; L656-N659 PolarHBondContact O-N 3.34Å; L656-N659 VanDerWaalsContact O-N 3.08Å; L656-N659 PolarHBondContact O-ND2 2.98Å; L656-I668 HydrophobicContact CD2-CD1 4.17Å; L656-M683 HydrophobicContact CB-SD 4.18Å; L656-M683 HydrophobicContact CD2-CG 3.89Å; L656-M683 HydrophobicContact CD2-SD 4.03Å; L656-M683 HydrophobicContact CG-SD 4.13Å; L656-W774 HydrophobicContact CD1-CZ3 4.4Å; L656-W774 HydrophobicContact CD2-CZ3 4.32Å; L656-W774 HydrophobicContact CG-CH2 4.4Å; L656-W774 HydrophobicContact CG-CZ3 3.91Å; L656-F776 HydrophobicContact CD2-CE1 4.18Å; L656-F776 HydrophobicContact CD2-CZ 4.26Å; L656-K800 HydrophobicContact CD1-CD 3.84Å; L656-I802 HydrophobicContact CD1-CD1 4.32Å
657	S	91.8	Very high	88.2	Confident	25 Å²	25	50 Å²	50	18%	0.175	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-21.4	179.8	76.1	0	0	0	0	114.8	A653 R654 N659 L660	A653-S657 VanDerWaalsContact O-CB 3.29Å; A653-S657 WeakPolarHBondContact O-CB 3.18Å; A653-S657 PolarHBondContact O-N 3.27Å; R654-S657 PolarHBondContact O-N 3.04Å; R654-S657 PolarHBondContact O-OG 3.4Å; S657-N659 PolarHBondContact O-N 3.1Å; S657-L660 VanDerWaalsContact O-CB 3.3Å; S657-L660 WeakPolarHBondContact O-CB 3.27Å; S657-L660 PolarHBondContact O-N 3.4Å
658	R	90	Very high	89	Confident	162 Å²	162	49.4 Å²	49.4	61%	0.611	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-59.2	-34.6	174.6	-60.7	-174.6	-171.8	111.2	0.6	111.8	A655 L656 L660 R661	A655-R658 PolarHBondContact O-N 3.11Å; L656-R658 PolarHBondContact O-N 3.24Å; L656-R658 VanDerWaalsContact O-N 3.11Å; R658-L660 PolarHBondContact O-N 3.48Å; R658-R661 PolarHBondContact O-N 2.76Å
659	N	90.2	Very high	89.5	Confident	26 Å²	26	49.5 Å²	49.5	14%	0.139	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-68.2	-19.9	178.3	-54.4	-83.2	0	0	0	113	L656 S657 R661 E662 T663 L666 W774 K800	L656-N659 PolarHBondContact O-N 3.34Å; L656-N659 VanDerWaalsContact O-N 3.08Å; L656-N659 PolarHBondContact O-ND2 2.98Å; S657-N659 PolarHBondContact O-N 3.1Å; N659-R661 PolarHBondContact O-N 3.39Å; N659-E662 PolarHBondContact O-N 3.24Å; N659-T663 PolarHBondContact O-N 3.11Å; N659-T663 PolarHBondContact O-OG1 2.6Å; N659-L666 HydrophobicContact CB-CD2 4.24Å; N659-W774 HydrophobicContact CB-CH2 4.05Å; N659-W774 HydrophobicContact CB-CZ2 4.06Å; N659-K800 PolarHBondContact ND2-NZ 2.89Å
660	L	90.2	Very high	89.8	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-60.6	-23	-179.7	-69.9	169.5	0	0	0	112.7	S657 R658 R664 M683 K686 I687 M690 I772 W774	S657-L660 VanDerWaalsContact O-CB 3.3Å; S657-L660 WeakPolarHBondContact O-CB 3.27Å; S657-L660 PolarHBondContact O-N 3.4Å; R658-L660 PolarHBondContact O-N 3.48Å; L660-R664 PolarHBondContact O-NH1 3.28Å; L660-M683 HydrophobicContact CD1-CE 3.54Å; L660-M683 HydrophobicContact CD2-CE 4.18Å; L660-M683 HydrophobicContact CG-CE 3.8Å; L660-K686 HydrophobicContact CD1-CB 3.97Å; L660-I687 HydrophobicContact CD1-CG1 4.14Å; L660-I687 HydrophobicContact CD2-CD1 4.26Å; L660-I687 HydrophobicContact CD2-CG1 3.61Å; L660-M690 HydrophobicContact CB-CE 3.24Å; L660-M690 HydrophobicContact CB-SD 3.72Å; L660-M690 HydrophobicContact CD1-CE 4.12Å; L660-M690 HydrophobicContact CD1-SD 4.3Å; L660-M690 HydrophobicContact CG-CE 4.25Å; L660-I772 HydrophobicContact CD2-CD1 4.25Å; L660-I772 HydrophobicContact CD2-CG1 4.29Å; L660-I772 HydrophobicContact CD2-CG2 4.16Å; L660-W774 HydrophobicContact CB-CH2 4.4Å; L660-W774 HydrophobicContact CB-CZ2 4.24Å; L660-W774 HydrophobicContact CD2-CD2 4.05Å; L660-W774 HydrophobicContact CD2-CE3 4.18Å; L660-W774 HydrophobicContact CD2-CH2 3.5Å; L660-W774 HydrophobicContact CD2-CZ2 3.32Å; L660-W774 HydrophobicContact CD2-CZ3 3.94Å; L660-W774 HydrophobicContact CG-CH2 3.54Å; L660-W774 HydrophobicContact CG-CZ2 3.69Å; L660-W774 HydrophobicContact CG-CZ3 4.21Å
661	R	85.1	Confident	90	Very high	199 Å²	199	46.2 Å²	46.2	75%	0.751	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-76.6	-30	175.2	-64.4	-177.4	-179.1	-179.5	-0.2	112.6	R658 N659 M690	R658-R661 PolarHBondContact O-N 2.76Å; N659-R661 PolarHBondContact O-N 3.39Å; R661-M690 HydrophobicContact CG-SD 3.84Å
662	E	84.9	Confident	90.2	Very high	153 Å²	153	43 Å²	43	72%	0.715	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-39.8	-169.3	-64.5	170.9	-170.3	0	0	111.9	N659	N659-E662 PolarHBondContact O-N 3.24Å
663	T	89.8	Confident	90.2	Very high	26 Å²	26	42.8 Å²	42.8	16%	0.16	19%	0.189	C	C	.	.			trans	-120.6	123.3	-172.2	59.8	0	0	0	0	112	N659 W774 P798	N659-T663 PolarHBondContact O-N 3.11Å; N659-T663 PolarHBondContact O-OG1 2.6Å; T663-W774 PolarHBondContact O-NE1 2.88Å; T663-P798 HydrophobicContact CG2-CG 4.13Å
664	R	91.4	Very high	90.1	Very high	89 Å²	89	42.8 Å²	42.8	34%	0.336	19%	0.189	S	C	.	.	S	Bend	trans	-81.5	-39.2	173.6	-63.6	-60	179.8	-129.4	-1.6	111.6	L660 H770 I772 L773	L660-R664 PolarHBondContact O-NH1 3.28Å; R664-H770 WeakPolarHBondContact CD-O 3.5Å; R664-H770 HydrophobicContact CG-CB 4.21Å; R664-I772 CarbonylContact O-C 3.46Å; R664-I772 WeakPolarHBondContact O-CA 3.41Å; R664-L773 PolarHBondContact O-N 3.44Å
665	E	94.3	Very high	90.2	Very high	32 Å²	32	38.1 Å²	38.1	15%	0.15	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.3	172.8	-173.2	-179.3	161.7	0	0	109.6	Y752 K756 L773 P798	E665-Y752 PolarHBondContact OE1-OH 3.11Å; E665-K756 VanDerWaalsContact CD-CE 3.43Å; E665-K756 WeakPolarHBondContact OE1-CE 3.32Å; E665-K756 IonicContact OE1-NZ 3.93Å; E665-K756 PolarHBondContact OE1-NZ 2.86Å; E665-K756 WeakPolarHBondContact OE2-CE 3.31Å; E665-K756 IonicContact OE2-NZ 3.4Å; E665-K756 PolarHBondContact OE2-NZ 3.15Å; E665-L773 VanDerWaalsContact CA-O 3.25Å; E665-L773 WeakPolarHBondContact CA-O 3.37Å; E665-L773 HydrophobicContact CG-CD2 4.34Å; E665-P798 WeakPolarHBondContact O-CG 3.42Å
666	L	95.3	Very high	90.4	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	129.2	177.9	-173	64.2	0	0	0	112.2	N659 I668 L773 W774 L775 P798 K800	N659-L666 HydrophobicContact CB-CD2 4.24Å; L666-I668 HydrophobicContact CD2-CD1 4.21Å; L666-I668 HydrophobicContact CD2-CG1 3.94Å; L666-I668 HydrophobicContact CG-CG1 3.93Å; L666-L773 PolarHBondContact N-O 3.01Å; L666-L773 VanDerWaalsContact N-O 3.11Å; L666-W774 HydrophobicContact CB-CD2 4.23Å; L666-W774 HydrophobicContact CB-CG 4.12Å; L666-W774 HydrophobicContact CD2-CD2 4.37Å; L666-W774 HydrophobicContact CD2-CH2 4.07Å; L666-W774 HydrophobicContact CD2-CZ2 3.86Å; L666-W774 HydrophobicContact CD2-CZ3 4.4Å; L666-W774 WeakPolarHBondContact O-CA 3.48Å; L666-L775 PolarHBondContact O-N 2.77Å; L666-P798 HydrophobicContact CD1-CB 4.25Å; L666-P798 HydrophobicContact CD1-CG 4.27Å; L666-K800 HydrophobicContact CD1-CB 4.34Å; L666-K800 HydrophobicContact CD2-CB 4.47Å
667	F	94.1	Very high	90.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.4	169.4	-68.1	-91.2	0	0	0	110.6	Y752 L775 L777 L790 P791 Q796 P798 R799 K800	F667-Y752 HydrophobicContact CE1-CE2 4.29Å; F667-Y752 AromaticContact CZ-CE2 3.79Å; F667-Y752 HydrophobicContact CZ-CE2 3.79Å; F667-Y752 AromaticContact CZ-CZ 3.84Å; F667-Y752 VanDerWaalsContact CZ-OH 3.27Å; F667-Y752 WeakPolarHBondContact CZ-OH 3.36Å; F667-L775 HydrophobicContact CD1-CB 4.17Å; F667-L775 HydrophobicContact CD1-CD1 4.2Å; F667-L775 HydrophobicContact CD1-CD2 4.42Å; F667-L775 HydrophobicContact CE1-CB 4.48Å; F667-L775 HydrophobicContact CE1-CD1 4.03Å; F667-L775 HydrophobicContact CE1-CD2 3.91Å; F667-L775 HydrophobicContact CE1-CG 4.37Å; F667-L775 HydrophobicContact CZ-CD1 4.2Å; F667-L777 HydrophobicContact CB-CD2 4.49Å; F667-L777 HydrophobicContact CD1-CD2 4.42Å; F667-L790 HydrophobicContact CE1-CD2 4.17Å; F667-P791 HydrophobicContact CE1-CG 3.97Å; F667-P791 HydrophobicContact CZ-CG 3.63Å; F667-Q796 HydrophobicContact CB-CB 4.36Å; F667-Q796 HydrophobicContact CD1-CB 3.96Å; F667-Q796 HydrophobicContact CD1-CG 3.86Å; F667-Q796 HydrophobicContact CD2-CB 4.03Å; F667-Q796 HydrophobicContact CE1-CB 4.22Å; F667-Q796 HydrophobicContact CE1-CG 3.79Å; F667-Q796 HydrophobicContact CE2-CB 4.3Å; F667-Q796 HydrophobicContact CG-CB 3.85Å; F667-Q796 HydrophobicContact CG-CG 4.28Å; F667-Q796 HydrophobicContact CZ-CB 4.38Å; F667-Q796 HydrophobicContact CZ-CG 4.15Å; F667-P798 PolarHBondContact N-O 3.36Å; F667-R799 HydrophobicContact CB-CB 3.92Å; F667-R799 CarbonylContact O-C 3.58Å; F667-R799 WeakPolarHBondContact O-CA 3.42Å; F667-K800 PolarHBondContact O-N 3.01Å
668	I	93.9	Very high	90.5	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	102.3	-174.4	-56	163.1	0	0	0	108.2	L656 L666 W774 L775 F776 L777 K800 I802	L656-I668 HydrophobicContact CD2-CD1 4.17Å; L666-I668 HydrophobicContact CD2-CD1 4.21Å; L666-I668 HydrophobicContact CD2-CG1 3.94Å; L666-I668 HydrophobicContact CG-CG1 3.93Å; I668-W774 HydrophobicContact CD1-CB 4.38Å; I668-W774 HydrophobicContact CD1-CD2 4.17Å; I668-W774 HydrophobicContact CD1-CE3 3.58Å; I668-W774 HydrophobicContact CD1-CZ3 4.09Å; I668-L775 PolarHBondContact N-O 2.93Å; I668-F776 HydrophobicContact CB-CD1 3.99Å; I668-F776 HydrophobicContact CB-CE1 4.15Å; I668-F776 HydrophobicContact CB-CG 4.39Å; I668-F776 HydrophobicContact CD1-CD1 4.14Å; I668-F776 HydrophobicContact CD1-CD2 4.2Å; I668-F776 HydrophobicContact CD1-CE1 3.61Å; I668-F776 HydrophobicContact CD1-CE2 3.66Å; I668-F776 HydrophobicContact CD1-CG 4.42Å; I668-F776 HydrophobicContact CD1-CZ 3.34Å; I668-F776 HydrophobicContact CG1-CE1 4.48Å; I668-F776 HydrophobicContact CG2-CD1 3.86Å; I668-F776 HydrophobicContact CG2-CE1 3.84Å; I668-L777 WeakPolarHBondContact O-CD2 3.22Å; I668-L777 PolarHBondContact O-N 3.35Å; I668-K800 WeakPolarHBondContact CA-O 3.36Å; I668-I802 HydrophobicContact CG2-CD1 4.12Å; I668-I802 HydrophobicContact CG2-CG1 3.7Å
669	H	90.1	Very high	90.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	112.6	178.9	-66.4	-109.9	0	0	0	109.1	Q796 K800 M801 I802	H669-Q796 PolarHBondContact CE1-OE1 3.05Å; H669-Q796 PolarHBondContact NE2-OE1 3.48Å; H669-K800 PolarHBondContact N-O 3.34Å; H669-M801 HydrophobicContact CB-CE 4.36Å; H669-M801 HydrophobicContact CB-CG 4.3Å; H669-I802 PolarHBondContact O-N 3.34Å
670	C	91.1	Very high	90.9	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.1	-177.2	-67.4	0	0	0	0	109.6	T674 K676 L777 D778	C670-T674 WeakPolarHBondContact CB-OG1 3.22Å; C670-K676 HydrophobicContact CB-CB 3.72Å; C670-K676 HydrophobicContact CB-CD 3.93Å; C670-K676 HydrophobicContact CB-CG 3.8Å; C670-L777 PolarHBondContact N-O 3.46Å; C670-D778 WeakPolarHBondContact O-CA 3.35Å; C670-D778 WeakPolarHBondContact O-CB 3.42Å
671	L	89.8	Confident	91.1	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.052	14%	0.136	C	C	.	.			trans	-73.3	153.3	173.5	-64	178.6	0	0	0	111.2	G673 T674 F780 T803 M820 F839 Y844	L671-G673 PolarHBondContact O-N 3.49Å; L671-T674 HydrophobicContact CB-CG2 4.11Å; L671-T674 WeakPolarHBondContact O-CB 3.39Å; L671-T674 WeakPolarHBondContact O-CG2 3.22Å; L671-T674 PolarHBondContact O-N 3.46Å; L671-T674 VanDerWaalsContact O-N 3.08Å; L671-T674 PolarHBondContact O-OG1 2.84Å; L671-F780 HydrophobicContact CD2-CD2 4.04Å; L671-F780 HydrophobicContact CD2-CE2 3.85Å; L671-T803 HydrophobicContact CD1-CG2 4.33Å; L671-M820 HydrophobicContact CD2-SD 4.35Å; L671-F839 HydrophobicContact CD1-CD2 4.21Å; L671-Y844 HydrophobicContact CB-CE2 4.39Å; L671-Y844 HydrophobicContact CD1-CD2 3.81Å; L671-Y844 HydrophobicContact CD1-CE2 4.3Å
672	P	87.9	Confident	91.5	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.013	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	127.7	170.7	-27.9	32	0	0	0	112.5	D778 F780 M816 M820 Y844 L962	P672-D778 WeakPolarHBondContact CD-OD2 3.21Å; P672-D778 WeakPolarHBondContact CG-OD2 3.33Å; P672-F780 HydrophobicContact CG-CB 4.26Å; P672-M816 HydrophobicContact CB-CG 4.45Å; P672-M816 HydrophobicContact CB-SD 3.7Å; P672-M820 VanDerWaalsContact CD-SD 3.58Å; P672-M820 HydrophobicContact CG-CG 4.3Å; P672-M820 HydrophobicContact CG-SD 3.83Å; P672-Y844 PolarHBondContact O-OH 3.28Å; P672-L962 HydrophobicContact CB-CD1 3.79Å; P672-L962 HydrophobicContact CB-CG 4.34Å; P672-L962 HydrophobicContact CG-CD1 3.79Å; P672-L962 HydrophobicContact CG-CD2 3.91Å; P672-L962 HydrophobicContact CG-CG 4Å
673	G	86.4	Confident	92	Very high	6 Å²	6	15.3 Å²	15.3	6%	0.062	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	-15.8	-177.8	0	0	0	0	0	115.5	L671 R675 H807	L671-G673 PolarHBondContact O-N 3.49Å; G673-R675 PolarHBondContact O-N 2.98Å; G673-H807 PolarHBondContact O-N 3.24Å
674	T	89	Confident	92.2	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	7%	0.07	C	C	.	.	S	Bend	trans	-71.6	-4.8	176.1	58.7	0	0	0	0	114	C670 L671 I802 E805 I806 H807	C670-T674 WeakPolarHBondContact CB-OG1 3.22Å; L671-T674 HydrophobicContact CB-CG2 4.11Å; L671-T674 WeakPolarHBondContact O-CB 3.39Å; L671-T674 WeakPolarHBondContact O-CG2 3.22Å; L671-T674 PolarHBondContact O-N 3.46Å; L671-T674 VanDerWaalsContact O-N 3.08Å; L671-T674 PolarHBondContact O-OG1 2.84Å; T674-I802 HydrophobicContact CG2-CB 4.44Å; T674-I802 HydrophobicContact CG2-CG2 3.96Å; T674-I802 WeakPolarHBondContact CG2-O 3.42Å; T674-E805 WeakPolarHBondContact CG2-O 3.33Å; T674-I806 HydrophobicContact CG2-CD1 4.03Å; T674-H807 PolarHBondContact O-CD2 2.89Å
675	R	89.6	Confident	92.2	Very high	24 Å²	24	13.5 Å²	13.5	9%	0.091	7%	0.07	C	C	.	.			trans	59.4	49	179	-53	-67.2	179.3	-156.4	-3.8	113.2	I649 G673 T677 A678 L679 H807 S966 A968	I649-R675 HydrophobicContact CD1-CB 3.82Å; I649-R675 HydrophobicContact CD1-CG 3.84Å; I649-R675 HydrophobicContact CG1-CB 4.25Å; I649-R675 HydrophobicContact CG1-CG 4.45Å; G673-R675 PolarHBondContact O-N 2.98Å; R675-T677 PolarHBondContact O-N 3.22Å; R675-A678 HydrophobicContact CB-CB 4.02Å; R675-A678 WeakPolarHBondContact O-CA 3.34Å; R675-A678 WeakPolarHBondContact O-CB 3.15Å; R675-A678 PolarHBondContact O-N 3.28Å; R675-L679 PolarHBondContact O-N 3.37Å; R675-H807 HydrophobicContact CG-CB 3.63Å; R675-H807 PolarHBondContact NE-O 3.34Å; R675-H807 VanDerWaalsContact NE-O 3.11Å; R675-H807 PolarHBondContact NH2-O 3.22Å; R675-S966 PolarHBondContact NH1-O 3.3Å; R675-A968 PolarHBondContact NH2-O 3.44Å
676	K	92.2	Very high	92.2	Very high	18 Å²	18	15.2 Å²	15.2	8%	0.078	8%	0.077	C	C	.	.	H	α-helix	trans	-36.1	-58	175	-174.7	175.6	67.7	-173.2	0	115	C670 A678 L679 A680 E742 F776 D778	C670-K676 HydrophobicContact CB-CB 3.72Å; C670-K676 HydrophobicContact CB-CD 3.93Å; C670-K676 HydrophobicContact CB-CG 3.8Å; K676-A678 VanDerWaalsContact C-N 3.33Å; K676-A678 PolarHBondContact O-N 3.41Å; K676-L679 WeakPolarHBondContact O-CB 3.48Å; K676-L679 PolarHBondContact O-N 2.71Å; K676-L679 VanDerWaalsContact O-N 3.15Å; K676-A680 PolarHBondContact O-N 3.39Å; K676-E742 IonicContact NZ-OE1 3.18Å; K676-E742 PolarHBondContact NZ-OE1 2.94Å; K676-E742 IonicContact NZ-OE2 3.78Å; K676-E742 PolarHBondContact NZ-OE2 3.48Å; K676-F776 HydrophobicContact CD-CB 3.96Å; K676-F776 HydrophobicContact CG-CB 3.71Å; K676-F776 HydrophobicContact CG-CD1 4.14Å; K676-F776 HydrophobicContact CG-CG 4.37Å; K676-D778 HydrophobicContact CD-CB 4.46Å; K676-D778 VanDerWaalsContact NZ-CB 3.33Å; K676-D778 VanDerWaalsContact NZ-N 3.11Å
677	T	93.5	Very high	92.1	Very high	6 Å²	6	15 Å²	15	4%	0.037	8%	0.076	C	C	.	.	H	α-helix	trans	-62.6	-37.7	-178.9	-60.2	0	0	0	0	112.5	R675 A680 I681 L707 D739 G940	R675-T677 PolarHBondContact O-N 3.22Å; T677-A680 PolarHBondContact O-N 2.68Å; T677-I681 HydrophobicContact CG2-CD1 4.08Å; T677-I681 WeakPolarHBondContact O-CB 3.47Å; T677-I681 VanDerWaalsContact O-CG1 3.31Å; T677-I681 WeakPolarHBondContact O-CG1 3.02Å; T677-I681 PolarHBondContact O-N 3.41Å; T677-L707 HydrophobicContact CG2-CD1 3.72Å; T677-D739 WeakPolarHBondContact CA-OD2 3.5Å; T677-D739 VanDerWaalsContact CB-OD2 3.3Å; T677-D739 WeakPolarHBondContact CB-OD2 3.3Å; T677-D739 WeakPolarHBondContact CG2-OD2 3.38Å; T677-D739 PolarHBondContact OG1-OD2 2.65Å; T677-G940 WeakPolarHBondContact OG1-CA 3.4Å
678	A	92	Very high	92	Very high	35 Å²	35	18.2 Å²	18.2	29%	0.289	9%	0.09	S	C	.	.	H	α-helix	trans	-65.7	-39.6	175.5	0	0	0	0	0	111.5	I649 R675 K676 K682	I649-A678 HydrophobicContact CD1-CB 4.24Å; I649-A678 HydrophobicContact CG2-CB 4.09Å; R675-A678 HydrophobicContact CB-CB 4.02Å; R675-A678 WeakPolarHBondContact O-CA 3.34Å; R675-A678 WeakPolarHBondContact O-CB 3.15Å; R675-A678 PolarHBondContact O-N 3.28Å; K676-A678 VanDerWaalsContact C-N 3.33Å; K676-A678 PolarHBondContact O-N 3.41Å; A678-K682 VanDerWaalsContact O-CG 3.32Å; A678-K682 WeakPolarHBondContact O-CG 3.22Å; A678-K682 PolarHBondContact O-N 3.3Å
679	L	93.3	Very high	91.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.9	-45.1	171.9	-69.9	171.4	0	0	0	111.5	I649 E652 A653 R675 K676 I681 K682 M683 F776 I802	I649-L679 HydrophobicContact CG2-CD2 4Å; I649-L679 HydrophobicContact CG2-CG 4.42Å; E652-L679 HydrophobicContact CB-CD2 4Å; E652-L679 HydrophobicContact CG-CD1 4.38Å; E652-L679 HydrophobicContact CG-CD2 3.92Å; A653-L679 HydrophobicContact CB-CD2 4.19Å; R675-L679 PolarHBondContact O-N 3.37Å; K676-L679 WeakPolarHBondContact O-CB 3.48Å; K676-L679 PolarHBondContact O-N 2.71Å; K676-L679 VanDerWaalsContact O-N 3.15Å; L679-I681 PolarHBondContact O-N 2.88Å; L679-K682 PolarHBondContact O-N 3.36Å; L679-M683 WeakPolarHBondContact O-CB 3.33Å; L679-M683 VanDerWaalsContact O-CG 3.31Å; L679-M683 WeakPolarHBondContact O-CG 3.35Å; L679-M683 PolarHBondContact O-N 2.81Å; L679-F776 HydrophobicContact CB-CE1 4Å; L679-I802 HydrophobicContact CD1-CG2 4.27Å
680	A	95.4	Very high	91.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-46.8	178	0	0	0	0	0	111.8	K676 T677 K682 M683 V684 Y700 V737 D739 F776	K676-A680 PolarHBondContact O-N 3.39Å; T677-A680 PolarHBondContact O-N 2.68Å; A680-K682 PolarHBondContact O-N 3.39Å; A680-M683 PolarHBondContact O-N 3.37Å; A680-V684 WeakPolarHBondContact O-CG2 3.49Å; A680-V684 PolarHBondContact O-N 2.71Å; A680-Y700 HydrophobicContact CB-CE2 4.08Å; A680-V737 HydrophobicContact CB-CG1 4.2Å; A680-D739 HydrophobicContact CB-CB 4.29Å; A680-F776 HydrophobicContact CB-CD1 4.28Å; A680-F776 HydrophobicContact CB-CD2 3.75Å; A680-F776 HydrophobicContact CB-CE1 4.39Å; A680-F776 HydrophobicContact CB-CE2 3.9Å; A680-F776 HydrophobicContact CB-CG 3.96Å; A680-F776 HydrophobicContact CB-CZ 4.21Å
681	I	94.7	Very high	91.7	Very high	15 Å²	15	28.4 Å²	28.4	8%	0.077	14%	0.141	C	C	.	.	H	α-helix	trans	-57.4	-48.9	174.4	-73.2	168.3	0	0	0	111.1	T677 L679 M683 V684 E685 F710 V711 Q714 V715	T677-I681 HydrophobicContact CG2-CD1 4.08Å; T677-I681 WeakPolarHBondContact O-CB 3.47Å; T677-I681 VanDerWaalsContact O-CG1 3.31Å; T677-I681 WeakPolarHBondContact O-CG1 3.02Å; T677-I681 PolarHBondContact O-N 3.41Å; L679-I681 PolarHBondContact O-N 2.88Å; I681-M683 VanDerWaalsContact C-N 3.31Å; I681-M683 PolarHBondContact O-N 3.34Å; I681-V684 WeakPolarHBondContact O-CB 3.42Å; I681-V684 PolarHBondContact O-N 2.81Å; I681-E685 PolarHBondContact O-N 2.85Å; I681-F710 HydrophobicContact CD1-CE1 3.87Å; I681-V711 HydrophobicContact CD1-CG2 4.09Å; I681-V711 HydrophobicContact CG1-CG1 4.49Å; I681-V711 HydrophobicContact CG1-CG2 4.23Å; I681-Q714 HydrophobicContact CD1-CB 4.33Å; I681-Q714 HydrophobicContact CD1-CG 4.33Å; I681-Q714 HydrophobicContact CG2-CB 4.16Å; I681-V715 HydrophobicContact CB-CG1 4.46Å; I681-V715 HydrophobicContact CG2-CG1 3.74Å
682	K	93	Very high	91.6	Very high	50 Å²	50	36 Å²	36	22%	0.217	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-36.2	178.5	-71.3	-71.7	177.5	177.3	0	112	E650 A653 A678 L679 A680 V684 E685 K686	E650-K682 HydrophobicContact CG-CD 4.41Å; E650-K682 IonicContact OE1-NZ 2.72Å; E650-K682 PolarHBondContact OE1-NZ 3.34Å; A653-K682 HydrophobicContact CB-CB 3.73Å; A653-K682 HydrophobicContact CB-CG 4.44Å; A678-K682 VanDerWaalsContact O-CG 3.32Å; A678-K682 WeakPolarHBondContact O-CG 3.22Å; A678-K682 PolarHBondContact O-N 3.3Å; L679-K682 PolarHBondContact O-N 3.36Å; A680-K682 PolarHBondContact O-N 3.39Å; K682-V684 VanDerWaalsContact C-N 3.34Å; K682-V684 PolarHBondContact O-N 3.34Å; K682-E685 IonicContact NZ-OE2 2.8Å; K682-E685 WeakPolarHBondContact O-CB 3.44Å; K682-E685 PolarHBondContact O-N 3.27Å; K682-K686 WeakPolarHBondContact O-CG 3.47Å; K682-K686 PolarHBondContact O-N 3.45Å
683	M	94.5	Very high	91.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.7	-33	177.3	-72.8	-41.1	-58.5	0	0	112.8	A653 L656 L660 L679 A680 I681 E685 K686 I687 W774 F776	A653-M683 HydrophobicContact CB-SD 4.38Å; L656-M683 HydrophobicContact CB-SD 4.18Å; L656-M683 HydrophobicContact CD2-CG 3.89Å; L656-M683 HydrophobicContact CD2-SD 4.03Å; L656-M683 HydrophobicContact CG-SD 4.13Å; L660-M683 HydrophobicContact CD1-CE 3.54Å; L660-M683 HydrophobicContact CD2-CE 4.18Å; L660-M683 HydrophobicContact CG-CE 3.8Å; L679-M683 WeakPolarHBondContact O-CB 3.33Å; L679-M683 VanDerWaalsContact O-CG 3.31Å; L679-M683 WeakPolarHBondContact O-CG 3.35Å; L679-M683 PolarHBondContact O-N 2.81Å; A680-M683 PolarHBondContact O-N 3.37Å; I681-M683 VanDerWaalsContact C-N 3.31Å; I681-M683 PolarHBondContact O-N 3.34Å; M683-E685 VanDerWaalsContact C-N 3.3Å; M683-E685 PolarHBondContact O-N 3.45Å; M683-K686 HydrophobicContact CE-CB 3.95Å; M683-K686 HydrophobicContact CE-CG 4.36Å; M683-K686 PolarHBondContact O-N 3.39Å; M683-K686 HydrophobicContact SD-CB 4.48Å; M683-K686 HydrophobicContact SD-CG 4.32Å; M683-I687 VanDerWaalsContact O-CG1 3.25Å; M683-I687 WeakPolarHBondContact O-CG1 2.96Å; M683-I687 PolarHBondContact O-N 2.99Å; M683-W774 HydrophobicContact CE-CE3 4.16Å; M683-W774 HydrophobicContact CE-CH2 3.85Å; M683-W774 HydrophobicContact CE-CZ3 3.33Å; M683-W774 HydrophobicContact CG-CE3 4.33Å; M683-W774 HydrophobicContact CG-CZ3 4.09Å; M683-W774 HydrophobicContact SD-CZ3 4.23Å; M683-F776 HydrophobicContact CB-CZ 4.16Å; M683-F776 HydrophobicContact CG-CZ 3.81Å
684	V	95.2	Very high	91.8	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-44.7	170.4	167.7	0	0	0	0	111	A680 I681 K682 I687 K688 I698 Y700 V715 C717 V737	A680-V684 WeakPolarHBondContact O-CG2 3.49Å; A680-V684 PolarHBondContact O-N 2.71Å; I681-V684 WeakPolarHBondContact O-CB 3.42Å; I681-V684 PolarHBondContact O-N 2.81Å; K682-V684 VanDerWaalsContact C-N 3.34Å; K682-V684 PolarHBondContact O-N 3.34Å; V684-I687 PolarHBondContact O-N 3.43Å; V684-K688 PolarHBondContact O-N 3.23Å; V684-K688 VanDerWaalsContact O-N 3.1Å; V684-I698 HydrophobicContact CG1-CG2 4.16Å; V684-Y700 HydrophobicContact CG2-CD2 3.98Å; V684-V715 HydrophobicContact CB-CG1 4.43Å; V684-V715 HydrophobicContact CG1-CB 4.23Å; V684-V715 HydrophobicContact CG1-CG1 4.16Å; V684-C717 HydrophobicContact CG1-CB 4.18Å; V684-C717 VanDerWaalsContact CG1-SG 3.51Å; V684-V737 HydrophobicContact CG2-CB 3.95Å; V684-V737 HydrophobicContact CG2-CG1 4.27Å; V684-V737 HydrophobicContact CG2-CG2 3.79Å
685	E	91.3	Very high	91.8	Very high	72 Å²	72	45.6 Å²	45.6	34%	0.336	22%	0.221	S	C	.	.	H	α-helix	trans	-62.6	-45.1	175.5	-59.4	179.7	152.7	0	0	111.2	I681 K682 M683 I687 K688 D689	I681-E685 PolarHBondContact O-N 2.85Å; K682-E685 IonicContact NZ-OE2 2.8Å; K682-E685 WeakPolarHBondContact O-CB 3.44Å; K682-E685 PolarHBondContact O-N 3.27Å; M683-E685 VanDerWaalsContact C-N 3.3Å; M683-E685 PolarHBondContact O-N 3.45Å; E685-I687 VanDerWaalsContact C-N 3.35Å; E685-I687 PolarHBondContact O-N 3.19Å; E685-K688 WeakPolarHBondContact O-CB 3.4Å; E685-K688 PolarHBondContact O-N 3.01Å; E685-D689 VanDerWaalsContact O-CG 3.31Å; E685-D689 PolarHBondContact O-N 2.74Å
686	K	93.5	Very high	91.9	Very high	68 Å²	68	51.1 Å²	51.1	30%	0.296	25%	0.246	S	C	.	.	H	α-helix	trans	-62.9	-37.1	177.9	-63.6	-57.5	177.8	-164.3	0	113.4	L660 K682 M683 M690	L660-K686 HydrophobicContact CD1-CB 3.97Å; K682-K686 WeakPolarHBondContact O-CG 3.47Å; K682-K686 PolarHBondContact O-N 3.45Å; M683-K686 HydrophobicContact CE-CB 3.95Å; M683-K686 HydrophobicContact CE-CG 4.36Å; M683-K686 PolarHBondContact O-N 3.39Å; M683-K686 HydrophobicContact SD-CB 4.48Å; M683-K686 HydrophobicContact SD-CG 4.32Å; K686-M690 VanDerWaalsContact O-CB 3.24Å; K686-M690 WeakPolarHBondContact O-CB 3.06Å; K686-M690 PolarHBondContact O-N 3.03Å
687	I	93.5	Very high	92	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-48	174.6	-70.8	162.7	0	0	0	109.8	L660 M683 V684 E685 D689 M690 F691 I698 H735 V737 I772	L660-I687 HydrophobicContact CD1-CG1 4.14Å; L660-I687 HydrophobicContact CD2-CD1 4.26Å; L660-I687 HydrophobicContact CD2-CG1 3.61Å; M683-I687 VanDerWaalsContact O-CG1 3.25Å; M683-I687 WeakPolarHBondContact O-CG1 2.96Å; M683-I687 PolarHBondContact O-N 2.99Å; V684-I687 PolarHBondContact O-N 3.43Å; E685-I687 VanDerWaalsContact C-N 3.35Å; E685-I687 PolarHBondContact O-N 3.19Å; I687-D689 VanDerWaalsContact C-N 3.31Å; I687-D689 PolarHBondContact O-N 3.1Å; I687-M690 PolarHBondContact O-N 2.79Å; I687-F691 HydrophobicContact CG2-CD2 3.93Å; I687-F691 HydrophobicContact CG2-CE2 4.43Å; I687-F691 WeakPolarHBondContact O-CD2 3.06Å; I687-F691 PolarHBondContact O-N 2.83Å; I687-I698 HydrophobicContact CB-CD1 4.43Å; I687-I698 HydrophobicContact CG2-CD1 3.97Å; I687-I698 HydrophobicContact CG2-CG1 4.31Å; I687-H735 HydrophobicContact CG2-CB 3.89Å; I687-V737 HydrophobicContact CD1-CG2 3.55Å; I687-I772 HydrophobicContact CD1-CB 4.33Å; I687-I772 HydrophobicContact CD1-CG2 3.74Å; I687-I772 HydrophobicContact CG1-CG2 4.28Å
688	K	91.8	Very high	92.1	Very high	68 Å²	68	51.8 Å²	51.8	30%	0.296	25%	0.249	S	C	.	.	H	α-helix	trans	-55.7	-47.5	177.7	-176.2	-174.9	170.3	-174.5	0	111.7	V684 E685 H692 C693 I698 T716	V684-K688 PolarHBondContact O-N 3.23Å; V684-K688 VanDerWaalsContact O-N 3.1Å; E685-K688 WeakPolarHBondContact O-CB 3.4Å; E685-K688 PolarHBondContact O-N 3.01Å; K688-H692 WeakPolarHBondContact O-CA 3.36Å; K688-H692 PolarHBondContact O-N 2.85Å; K688-C693 PolarHBondContact O-N 2.72Å; K688-I698 HydrophobicContact CB-CD1 3.63Å; K688-I698 HydrophobicContact CG-CD1 4.35Å; K688-T716 PolarHBondContact NZ-OG1 3.44Å; K688-T716 VanDerWaalsContact NZ-OG1 3.1Å
689	D	90	Very high	92.4	Very high	96 Å²	96	50.1 Å²	50.1	51%	0.513	24%	0.235	S	C	.	.	H	α-helix	trans	-68.7	-42.3	-177.4	-67.1	-17.1	0	0	0	112	E685 I687 H692	E685-D689 VanDerWaalsContact O-CG 3.31Å; E685-D689 PolarHBondContact O-N 2.74Å; I687-D689 VanDerWaalsContact C-N 3.31Å; I687-D689 PolarHBondContact O-N 3.1Å; D689-H692 PolarHBondContact O-CE1 2.78Å; D689-H692 VanDerWaalsContact O-CE1 3.24Å; D689-H692 PolarHBondContact O-ND1 2.89Å
690	M	90.1	Very high	92.6	Very high	58 Å²	58	50.1 Å²	50.1	29%	0.286	24%	0.235	S	C	.	.	H	α-helix	trans	-76.4	-33.1	-174.5	-163.2	-175.1	68	0	0	113.4	L660 R661 K686 I687	L660-M690 HydrophobicContact CB-CE 3.24Å; L660-M690 HydrophobicContact CB-SD 3.72Å; L660-M690 HydrophobicContact CD1-CE 4.12Å; L660-M690 HydrophobicContact CD1-SD 4.3Å; L660-M690 HydrophobicContact CG-CE 4.25Å; R661-M690 HydrophobicContact CG-SD 3.84Å; K686-M690 VanDerWaalsContact O-CB 3.24Å; K686-M690 WeakPolarHBondContact O-CB 3.06Å; K686-M690 PolarHBondContact O-N 3.03Å; I687-M690 PolarHBondContact O-N 2.79Å
691	F	89.7	Confident	92.7	Very high	62 Å²	62	50.1 Å²	50.1	27%	0.272	24%	0.235	S	C	.	.	H	α-helix	trans	-100.5	0.4	179.5	-64.3	-76.4	0	0	0	113.5	I687 C693 H735 I772	I687-F691 HydrophobicContact CG2-CD2 3.93Å; I687-F691 HydrophobicContact CG2-CE2 4.43Å; I687-F691 WeakPolarHBondContact O-CD2 3.06Å; I687-F691 PolarHBondContact O-N 2.83Å; F691-C693 PolarHBondContact O-N 2.73Å; F691-C693 VanDerWaalsContact O-N 3.11Å; F691-H735 AromaticContact CD2-CE1 3.94Å; F691-H735 AromaticContact CG-CE1 3.87Å; F691-I772 HydrophobicContact CD2-CG1 4.3Å; F691-I772 HydrophobicContact CE2-CD1 3.84Å; F691-I772 HydrophobicContact CE2-CG1 3.42Å; F691-I772 VanDerWaalsContact CE2-CG1 3.42Å; F691-I772 HydrophobicContact CZ-CD1 3.73Å; F691-I772 HydrophobicContact CZ-CG1 3.77Å
692	H	87.8	Confident	92.7	Very high	170 Å²	170	49.4 Å²	49.4	79%	0.787	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	36.7	-178	-57.6	-57.3	0	0	0	113.5	K688 D689	K688-H692 WeakPolarHBondContact O-CA 3.36Å; K688-H692 PolarHBondContact O-N 2.85Å; D689-H692 PolarHBondContact O-CE1 2.78Å; D689-H692 VanDerWaalsContact O-CE1 3.24Å; D689-H692 PolarHBondContact O-ND1 2.89Å
693	C	87.7	Confident	92.5	Very high	12 Å²	12	48.9 Å²	48.9	8%	0.081	23%	0.23	C	C	.	.			trans	-90.9	154.1	-174.2	58.9	0	0	0	0	112.1	K688 F691 E697	K688-C693 PolarHBondContact O-N 2.72Å; F691-C693 PolarHBondContact O-N 2.73Å; F691-C693 VanDerWaalsContact O-N 3.11Å; C693-E697 WeakPolarHBondContact CA-OE2 3.43Å; C693-E697 HydrophobicContact CB-CB 4.21Å; C693-E697 VanDerWaalsContact CB-OE2 3.29Å; C693-E697 WeakPolarHBondContact CB-OE2 3.29Å
694	K	91	Very high	92.2	Very high	153 Å²	153	49.7 Å²	49.7	67%	0.665	23%	0.234	S	C	*	.			trans	-71.2	147.8	176.9	-64.8	178.3	-177.5	175.3	0	108.9	K696 E697	K694-K696 PolarHBondContact O-N 2.63Å; K694-E697 HydrophobicContact CB-CG 4.27Å; K694-E697 PolarHBondContact N-OE2 3.29Å; K694-E697 WeakPolarHBondContact O-CB 3.28Å; K694-E697 PolarHBondContact O-N 3.24Å
695	P	88.9	Confident	92	Very high	45 Å²	45	53.4 Å²	53.4	29%	0.292	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-56.9	-25.8	-179	-24.8	32.1	0	0	0	115	E697 I698 T716 C717	P695-E697 PolarHBondContact O-N 2.62Å; P695-I698 PolarHBondContact O-N 3.45Å; P695-T716 WeakPolarHBondContact CB-O 3.35Å; P695-C717 WeakPolarHBondContact O-CA 3.33Å; P695-C717 WeakPolarHBondContact O-CB 2.95Å
696	K	91.6	Very high	92	Very high	141 Å²	141	50.4 Å²	50.4	61%	0.613	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-73	-12.7	175.6	-62.6	-178.2	-178.3	179.2	0	113.9	K694	K694-K696 PolarHBondContact O-N 2.63Å
697	E	94.3	Very high	92	Very high	37 Å²	37	47.1 Å²	47.1	17%	0.173	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-89.5	-8.3	177.5	-60.4	179.6	116.1	0	0	112.4	C693 K694 P695 K732 K734 H735	C693-E697 WeakPolarHBondContact CA-OE2 3.43Å; C693-E697 HydrophobicContact CB-CB 4.21Å; C693-E697 VanDerWaalsContact CB-OE2 3.29Å; C693-E697 WeakPolarHBondContact CB-OE2 3.29Å; K694-E697 HydrophobicContact CB-CG 4.27Å; K694-E697 PolarHBondContact N-OE2 3.29Å; K694-E697 WeakPolarHBondContact O-CB 3.28Å; K694-E697 PolarHBondContact O-N 3.24Å; P695-E697 PolarHBondContact O-N 2.62Å; E697-K732 WeakPolarHBondContact CA-O 3.23Å; E697-K734 PolarHBondContact O-N 3.26Å; E697-K734 VanDerWaalsContact OE1-CE 3.27Å; E697-K734 WeakPolarHBondContact OE1-CE 3.49Å; E697-K734 IonicContact OE1-NZ 3.67Å; E697-K734 PolarHBondContact OE1-NZ 2.86Å; E697-H735 PolarHBondContact O-N 3.45Å
698	I	95.4	Very high	92	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.1	175.3	-49.1	174.2	0	0	0	108.9	V684 I687 K688 P695 C717 R718 H735	V684-I698 HydrophobicContact CG1-CG2 4.16Å; I687-I698 HydrophobicContact CB-CD1 4.43Å; I687-I698 HydrophobicContact CG2-CD1 3.97Å; I687-I698 HydrophobicContact CG2-CG1 4.31Å; K688-I698 HydrophobicContact CB-CD1 3.63Å; K688-I698 HydrophobicContact CG-CD1 4.35Å; P695-I698 PolarHBondContact O-N 3.45Å; I698-C717 HydrophobicContact CB-CB 3.91Å; I698-C717 HydrophobicContact CG2-CB 4.26Å; I698-C717 WeakPolarHBondContact O-CB 3.47Å; I698-R718 PolarHBondContact O-N 3.39Å; I698-H735 CarbonylContact C-O 3.52Å; I698-H735 WeakPolarHBondContact CA-O 3.14Å; I698-H735 HydrophobicContact CG1-CB 4.3Å; I698-H735 HydrophobicContact CG2-CB 4.37Å
699	L	97.6	Very high	92	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.7	176.6	-170.9	67.4	0	0	0	110.3	V701 R718 V720 F725 F730 V733 H735 I736 V737	L699-V701 HydrophobicContact CD2-CG2 4.03Å; L699-V701 HydrophobicContact CG-CG2 4.03Å; L699-R718 WeakPolarHBondContact CA-O 3.18Å; L699-R718 HydrophobicContact CD1-CB 3.75Å; L699-V720 HydrophobicContact CD1-CG1 4.17Å; L699-V720 HydrophobicContact CD1-CG2 3.87Å; L699-V720 HydrophobicContact CD2-CG2 4.25Å; L699-V720 HydrophobicContact CG-CG2 4.19Å; L699-F725 HydrophobicContact CD2-CD2 3.65Å; L699-F725 HydrophobicContact CD2-CE2 3.86Å; L699-F730 HydrophobicContact CD1-CD1 4.11Å; L699-F730 HydrophobicContact CD1-CE1 3.98Å; L699-F730 HydrophobicContact CD2-CD1 4.05Å; L699-F730 HydrophobicContact CD2-CD2 4.18Å; L699-F730 HydrophobicContact CD2-CE1 4.25Å; L699-F730 HydrophobicContact CD2-CE2 4.39Å; L699-F730 HydrophobicContact CD2-CG 4.02Å; L699-F730 HydrophobicContact CD2-CZ 4.42Å; L699-V733 HydrophobicContact CB-CB 4.48Å; L699-V733 HydrophobicContact CB-CG1 3.67Å; L699-V733 HydrophobicContact CB-CG2 3.94Å; L699-V733 HydrophobicContact CD2-CG1 4.48Å; L699-V733 HydrophobicContact CD2-CG2 4.48Å; L699-H735 PolarHBondContact N-O 3.46Å; L699-I736 HydrophobicContact CB-CG1 4.34Å; L699-I736 CarbonylContact O-C 3.49Å; L699-I736 VanDerWaalsContact O-CA 3.29Å; L699-I736 WeakPolarHBondContact O-CA 3.43Å; L699-V737 PolarHBondContact O-N 2.88Å
700	Y	97.8	Very high	92	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.4	168	-174.4	-84.5	0	0	0	109.3	A680 V684 C702 V711 R718 A719 V720 V737 D739	A680-Y700 HydrophobicContact CB-CE2 4.08Å; V684-Y700 HydrophobicContact CG2-CD2 3.98Å; Y700-C702 HydrophobicContact CE1-CB 3.85Å; Y700-V711 HydrophobicContact CD1-CB 4.35Å; Y700-V711 HydrophobicContact CD1-CG1 3.78Å; Y700-V711 HydrophobicContact CD1-CG2 4.36Å; Y700-V711 HydrophobicContact CD2-CG1 4.13Å; Y700-V711 HydrophobicContact CE1-CB 4.16Å; Y700-V711 HydrophobicContact CE1-CG1 3.92Å; Y700-V711 HydrophobicContact CE1-CG2 3.68Å; Y700-V711 HydrophobicContact CE2-CG1 4.23Å; Y700-V711 HydrophobicContact CE2-CG2 4.48Å; Y700-V711 HydrophobicContact CG-CG1 3.85Å; Y700-R718 PolarHBondContact N-O 2.64Å; Y700-A719 HydrophobicContact CD1-CB 4.13Å; Y700-A719 HydrophobicContact CG-CB 4.45Å; Y700-A719 CarbonylContact O-C 3.58Å; Y700-A719 VanDerWaalsContact O-CA 3.3Å; Y700-A719 WeakPolarHBondContact O-CA 2.98Å; Y700-V720 PolarHBondContact O-N 2.87Å; Y700-V737 CarbonylContact C-O 3.6Å; Y700-V737 WeakPolarHBondContact CA-O 3.47Å; Y700-V737 HydrophobicContact CD2-CB 4.34Å; Y700-V737 HydrophobicContact CD2-CG1 4.21Å; Y700-V737 HydrophobicContact CE2-CG1 4.37Å; Y700-D739 HydrophobicContact CE1-CB 4.16Å; Y700-D739 HydrophobicContact CE2-CB 4.02Å; Y700-D739 VanDerWaalsContact CZ-CB 3.49Å; Y700-D739 WeakPolarHBondContact OH-CB 3.32Å; Y700-D739 VanDerWaalsContact OH-CG 3.28Å; Y700-D739 PolarHBondContact OH-OD2 3.03Å
701	V	97.1	Very high	92.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.5	177.4	-167.8	0	0	0	0	110.4	L699 V720 R722 F725 I736 V737 L738 D739 F744	L699-V701 HydrophobicContact CD2-CG2 4.03Å; L699-V701 HydrophobicContact CG-CG2 4.03Å; V701-V720 WeakPolarHBondContact CA-O 3.36Å; V701-V720 HydrophobicContact CG1-CG2 4.41Å; V701-V720 HydrophobicContact CG2-CG2 4.05Å; V701-R722 HydrophobicContact CG1-CB 4.14Å; V701-F725 HydrophobicContact CG1-CB 3.93Å; V701-F725 HydrophobicContact CG1-CG 4.32Å; V701-F725 HydrophobicContact CG2-CB 4.4Å; V701-F725 HydrophobicContact CG2-CD2 4.23Å; V701-F725 HydrophobicContact CG2-CG 4.21Å; V701-I736 HydrophobicContact CG2-CG2 4.15Å; V701-V737 PolarHBondContact N-O 2.96Å; V701-L738 HydrophobicContact CB-CD2 3.46Å; V701-L738 VanDerWaalsContact CB-CD2 3.46Å; V701-L738 HydrophobicContact CG1-CD2 4.24Å; V701-L738 HydrophobicContact CG2-CD2 3.64Å; V701-L738 WeakPolarHBondContact O-CA 3.14Å; V701-D739 PolarHBondContact O-N 3.36Å; V701-F744 HydrophobicContact CG1-CE2 4.29Å; V701-F744 HydrophobicContact CG1-CZ 4.19Å
702	C	94.3	Very high	92.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	174.4	174.7	57.6	0	0	0	0	110.9	Y700 N704 L707 V720 T721 R722	Y700-C702 HydrophobicContact CE1-CB 3.85Å; C702-N704 PolarHBondContact SG-O 3.35Å; C702-L707 HydrophobicContact CB-CD2 3.81Å; C702-L707 HydrophobicContact CB-CG 4.14Å; C702-V720 PolarHBondContact N-O 3.06Å; C702-T721 CarbonylContact O-C 3.51Å; C702-T721 WeakPolarHBondContact O-CA 3.26Å; C702-R722 PolarHBondContact O-N 3.48Å
703	E	89.1	Confident	92.2	Very high	38 Å²	38	42.4 Å²	42.4	18%	0.178	20%	0.203	C	C	.	.	S	Bend	trans	-86.2	-38	177.4	-166.9	65.6	-155.6	0	0	112.3	R722 N743 F744	E703-R722 IonicContact OE1-CZ 3.79Å; E703-R722 IonicContact OE1-NE 3.67Å; E703-R722 PolarHBondContact OE1-NE 2.82Å; E703-R722 IonicContact OE1-NH2 3.79Å; E703-R722 PolarHBondContact OE1-NH2 3.07Å; E703-R722 WeakPolarHBondContact OE2-CB 3.1Å; E703-R722 VanDerWaalsContact OE2-CD 3.28Å; E703-R722 WeakPolarHBondContact OE2-CD 3.3Å; E703-R722 IonicContact OE2-CZ 3.55Å; E703-R722 IonicContact OE2-NE 2.66Å; E703-R722 PolarHBondContact OE2-NE 3.39Å; E703-R722 IonicContact OE2-NH2 3.4Å; E703-N743 HydrophobicContact CB-CB 4.49Å; E703-F744 HydrophobicContact CB-CD1 3.94Å; E703-F744 HydrophobicContact CB-CE1 4.07Å
704	N	89	Confident	92.1	Very high	18 Å²	18	46.2 Å²	46.2	10%	0.096	22%	0.22	C	C	.	.			trans	-95.4	141.5	-168.6	-172	-74.4	0	0	0	113.9	C702 S706 L707 R708 E936 Q937	C702-N704 PolarHBondContact SG-O 3.35Å; N704-S706 WeakPolarHBondContact OD1-CA 3.45Å; N704-S706 WeakPolarHBondContact OD1-CB 3.44Å; N704-S706 PolarHBondContact OD1-N 3.25Å; N704-S706 PolarHBondContact OD1-OG 3.27Å; N704-L707 HydrophobicContact CB-CB 4.2Å; N704-L707 PolarHBondContact OD1-N 2.85Å; N704-R708 PolarHBondContact O-N 3.29Å; N704-R708 VanDerWaalsContact O-N 3.07Å; N704-E936 PolarHBondContact ND2-O 3.33Å; N704-Q937 PolarHBondContact ND2-OE1 3.28Å; N704-Q937 PolarHBondContact OD1-OE1 3.36Å
705	D	91	Very high	92	Very high	83 Å²	83	39.5 Å²	39.5	44%	0.444	19%	0.191	S	C	.	.	H	α-helix	trans	-66.4	-43.1	178.8	-72.1	-45.6	0	0	0	113	L707 R708 D709 T721	D705-L707 VanDerWaalsContact C-N 3.34Å; D705-L707 PolarHBondContact O-N 3.03Å; D705-R708 WeakPolarHBondContact O-CB 3.49Å; D705-R708 PolarHBondContact O-N 3.38Å; D705-R708 IonicContact OD1-CZ 3.58Å; D705-R708 IonicContact OD1-NH1 2.96Å; D705-R708 PolarHBondContact OD1-NH1 3.33Å; D705-R708 IonicContact OD1-NH2 2.63Å; D705-D709 VanDerWaalsContact O-CG 3.26Å; D705-D709 PolarHBondContact O-N 2.91Å; D705-T721 VanDerWaalsContact OD1-CG2 3.25Å; D705-T721 WeakPolarHBondContact OD1-CG2 3.01Å
706	S	91.9	Very high	91.9	Very high	8 Å²	8	41.9 Å²	41.9	6%	0.056	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-41.4	177.3	-51	0	0	0	0	111.4	N704 D709 F710 Q937	N704-S706 WeakPolarHBondContact OD1-CA 3.45Å; N704-S706 WeakPolarHBondContact OD1-CB 3.44Å; N704-S706 PolarHBondContact OD1-N 3.25Å; N704-S706 PolarHBondContact OD1-OG 3.27Å; S706-D709 PolarHBondContact O-N 2.77Å; S706-F710 WeakPolarHBondContact O-CB 3.09Å; S706-F710 PolarHBondContact O-N 3.17Å; S706-Q937 WeakPolarHBondContact CB-O 3.42Å; S706-Q937 PolarHBondContact OG-OE1 3.09Å
707	L	92.4	Very high	91.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-41.7	175.3	177.3	55.9	0	0	0	111.5	T677 C702 N704 D705 D709 F710 V711 E740	T677-L707 HydrophobicContact CG2-CD1 3.72Å; C702-L707 HydrophobicContact CB-CD2 3.81Å; C702-L707 HydrophobicContact CB-CG 4.14Å; N704-L707 HydrophobicContact CB-CB 4.2Å; N704-L707 PolarHBondContact OD1-N 2.85Å; D705-L707 VanDerWaalsContact C-N 3.34Å; D705-L707 PolarHBondContact O-N 3.03Å; L707-D709 VanDerWaalsContact C-N 3.33Å; L707-D709 PolarHBondContact O-N 3.45Å; L707-F710 HydrophobicContact CD1-CD1 4.2Å; L707-F710 PolarHBondContact O-N 3.33Å; L707-V711 HydrophobicContact CD1-CG2 3.9Å; L707-V711 HydrophobicContact CG-CG2 4.41Å; L707-V711 WeakPolarHBondContact O-CB 3.47Å; L707-V711 VanDerWaalsContact O-CG2 3.22Å; L707-V711 WeakPolarHBondContact O-CG2 3.32Å; L707-V711 PolarHBondContact O-N 3.44Å; L707-E740 HydrophobicContact CD2-CG 4.25Å
708	R	93.6	Very high	91.8	Very high	53 Å²	53	40.5 Å²	40.5	20%	0.2	20%	0.196	C	C	.	.	H	α-helix	trans	-56.3	-50.9	173.7	175.2	-156.1	61.3	-133.4	-11.9	110.2	N704 D705 F710 V711 M712 A719 T721	N704-R708 PolarHBondContact O-N 3.29Å; N704-R708 VanDerWaalsContact O-N 3.07Å; D705-R708 WeakPolarHBondContact O-CB 3.49Å; D705-R708 PolarHBondContact O-N 3.38Å; D705-R708 IonicContact OD1-CZ 3.58Å; D705-R708 IonicContact OD1-NH1 2.96Å; D705-R708 PolarHBondContact OD1-NH1 3.33Å; D705-R708 IonicContact OD1-NH2 2.63Å; R708-F710 VanDerWaalsContact C-N 3.33Å; R708-F710 PolarHBondContact O-N 3.35Å; R708-V711 PolarHBondContact O-N 2.53Å; R708-M712 HydrophobicContact CG-CG 4.43Å; R708-M712 HydrophobicContact CG-SD 4.16Å; R708-M712 WeakPolarHBondContact O-CG 3.36Å; R708-M712 PolarHBondContact O-N 3.11Å; R708-A719 HydrophobicContact CG-CB 4.2Å; R708-T721 HydrophobicContact CB-CG2 4.22Å
709	D	91.6	Very high	91.8	Very high	50 Å²	50	40.8 Å²	40.8	27%	0.267	20%	0.199	S	C	.	.	H	α-helix	trans	-66	-37.7	-175.2	-64.9	-18.8	0	0	0	111.5	D705 S706 L707 Q713	D705-D709 VanDerWaalsContact O-CG 3.26Å; D705-D709 PolarHBondContact O-N 2.91Å; S706-D709 PolarHBondContact O-N 2.77Å; L707-D709 VanDerWaalsContact C-N 3.33Å; L707-D709 PolarHBondContact O-N 3.45Å; D709-Q713 WeakPolarHBondContact O-CG 3.29Å; D709-Q713 PolarHBondContact O-N 2.81Å; D709-Q713 PolarHBondContact O-NE2 3.21Å
710	F	90.6	Very high	91.7	Very high	38 Å²	38	41.6 Å²	41.6	17%	0.167	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-50.1	170.1	171.1	-110.1	0	0	0	111.8	I681 S706 L707 R708 M712 Q713 Q714 I925 M941	I681-F710 HydrophobicContact CD1-CE1 3.87Å; S706-F710 WeakPolarHBondContact O-CB 3.09Å; S706-F710 PolarHBondContact O-N 3.17Å; L707-F710 HydrophobicContact CD1-CD1 4.2Å; L707-F710 PolarHBondContact O-N 3.33Å; R708-F710 VanDerWaalsContact C-N 3.33Å; R708-F710 PolarHBondContact O-N 3.35Å; F710-M712 VanDerWaalsContact C-N 3.33Å; F710-M712 PolarHBondContact O-N 3.4Å; F710-Q713 WeakPolarHBondContact O-CB 3.23Å; F710-Q713 PolarHBondContact O-N 3.24Å; F710-Q714 HydrophobicContact CD2-CG 4.44Å; F710-Q714 HydrophobicContact CE1-CG 4.2Å; F710-Q714 HydrophobicContact CE2-CG 3.99Å; F710-Q714 HydrophobicContact CZ-CG 3.85Å; F710-Q714 WeakPolarHBondContact O-CG 3.42Å; F710-Q714 PolarHBondContact O-N 3.06Å; F710-I925 HydrophobicContact CB-CG2 4.15Å; F710-I925 HydrophobicContact CD2-CD1 4.47Å; F710-I925 HydrophobicContact CD2-CG2 3.57Å; F710-I925 HydrophobicContact CE2-CG2 4.41Å; F710-I925 HydrophobicContact CG-CG2 4.23Å; F710-M941 HydrophobicContact CB-CG 4.48Å; F710-M941 HydrophobicContact CB-SD 3.99Å; F710-M941 HydrophobicContact CD1-CG 4.03Å; F710-M941 HydrophobicContact CE1-CG 4.46Å; F710-M941 HydrophobicContact CG-CG 4.14Å; F710-M941 HydrophobicContact CG-SD 4.18Å
711	V	91.7	Very high	91.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-39.9	-179.1	172.1	0	0	0	0	111.1	I681 Y700 L707 R708 Q713 Q714 V715 A719	I681-V711 HydrophobicContact CD1-CG2 4.09Å; I681-V711 HydrophobicContact CG1-CG1 4.49Å; I681-V711 HydrophobicContact CG1-CG2 4.23Å; Y700-V711 HydrophobicContact CD1-CB 4.35Å; Y700-V711 HydrophobicContact CD1-CG1 3.78Å; Y700-V711 HydrophobicContact CD1-CG2 4.36Å; Y700-V711 HydrophobicContact CD2-CG1 4.13Å; Y700-V711 HydrophobicContact CE1-CB 4.16Å; Y700-V711 HydrophobicContact CE1-CG1 3.92Å; Y700-V711 HydrophobicContact CE1-CG2 3.68Å; Y700-V711 HydrophobicContact CE2-CG1 4.23Å; Y700-V711 HydrophobicContact CE2-CG2 4.48Å; Y700-V711 HydrophobicContact CG-CG1 3.85Å; L707-V711 HydrophobicContact CD1-CG2 3.9Å; L707-V711 HydrophobicContact CG-CG2 4.41Å; L707-V711 WeakPolarHBondContact O-CB 3.47Å; L707-V711 VanDerWaalsContact O-CG2 3.22Å; L707-V711 WeakPolarHBondContact O-CG2 3.32Å; L707-V711 PolarHBondContact O-N 3.44Å; R708-V711 PolarHBondContact O-N 2.53Å; V711-Q713 PolarHBondContact O-N 3.43Å; V711-Q713 VanDerWaalsContact O-N 3.12Å; V711-Q714 PolarHBondContact O-N 3.08Å; V711-V715 HydrophobicContact CG1-CG2 3.65Å; V711-V715 WeakPolarHBondContact O-CG2 3.32Å; V711-V715 PolarHBondContact O-N 3.4Å; V711-A719 HydrophobicContact CB-CB 4.45Å; V711-A719 HydrophobicContact CG1-CB 4.05Å
712	M	91.2	Very high	91.4	Very high	106 Å²	106	42 Å²	42	52%	0.522	21%	0.206	S	C	.	.	H	α-helix	trans	-57.9	-25.6	175.4	-73.9	-176.6	62.7	0	0	113.5	R708 F710 A719	R708-M712 HydrophobicContact CG-CG 4.43Å; R708-M712 HydrophobicContact CG-SD 4.16Å; R708-M712 WeakPolarHBondContact O-CG 3.36Å; R708-M712 PolarHBondContact O-N 3.11Å; F710-M712 VanDerWaalsContact C-N 3.33Å; F710-M712 PolarHBondContact O-N 3.4Å; M712-A719 HydrophobicContact CG-CB 3.78Å
713	Q	88	Confident	91.3	Very high	107 Å²	107	49.3 Å²	49.3	50%	0.5	23%	0.234	S	C	.	.	H	α-helix	trans	-83.3	-22.2	175.4	-63.2	171.4	33	0	0	112.6	D709 F710 V711 C926	D709-Q713 WeakPolarHBondContact O-CG 3.29Å; D709-Q713 PolarHBondContact O-N 2.81Å; D709-Q713 PolarHBondContact O-NE2 3.21Å; F710-Q713 WeakPolarHBondContact O-CB 3.23Å; F710-Q713 PolarHBondContact O-N 3.24Å; V711-Q713 PolarHBondContact O-N 3.43Å; V711-Q713 VanDerWaalsContact O-N 3.12Å; Q713-C926 PolarHBondContact OE1-SG 2.86Å
714	Q	86.2	Confident	91.5	Very high	93 Å²	93	48 Å²	48	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-93.5	-33.8	-178.6	-58	-54.9	-53.7	0	0	113.1	I681 F710 V711	I681-Q714 HydrophobicContact CD1-CB 4.33Å; I681-Q714 HydrophobicContact CD1-CG 4.33Å; I681-Q714 HydrophobicContact CG2-CB 4.16Å; F710-Q714 HydrophobicContact CD2-CG 4.44Å; F710-Q714 HydrophobicContact CE1-CG 4.2Å; F710-Q714 HydrophobicContact CE2-CG 3.99Å; F710-Q714 HydrophobicContact CZ-CG 3.85Å; F710-Q714 WeakPolarHBondContact O-CG 3.42Å; F710-Q714 PolarHBondContact O-N 3.06Å; V711-Q714 PolarHBondContact O-N 3.08Å
715	V	88.3	Confident	91.8	Very high	11 Å²	11	47.2 Å²	47.2	7%	0.067	23%	0.225	C	C	.	.			trans	-120.4	148.7	-175.6	-57.7	0	0	0	0	112.8	I681 V684 V711 C717	I681-V715 HydrophobicContact CB-CG1 4.46Å; I681-V715 HydrophobicContact CG2-CG1 3.74Å; V684-V715 HydrophobicContact CB-CG1 4.43Å; V684-V715 HydrophobicContact CG1-CB 4.23Å; V684-V715 HydrophobicContact CG1-CG1 4.16Å; V711-V715 HydrophobicContact CG1-CG2 3.65Å; V711-V715 WeakPolarHBondContact O-CG2 3.32Å; V711-V715 PolarHBondContact O-N 3.4Å; V715-C717 VanDerWaalsContact C-N 3.31Å; V715-C717 WeakPolarHBondContact CG2-SG 3.47Å; V715-C717 PolarHBondContact O-N 3.36Å
716	T	86.4	Confident	91.9	Very high	96 Å²	96	45 Å²	45	59%	0.589	21%	0.213	S	C	*	.	S	Bend	trans	-78.3	-10.4	176.9	57.5	0	0	0	0	114.5	K688 P695	K688-T716 PolarHBondContact NZ-OG1 3.44Å; K688-T716 VanDerWaalsContact NZ-OG1 3.1Å; P695-T716 WeakPolarHBondContact CB-O 3.35Å
717	C	91.4	Very high	91.9	Very high	11 Å²	11	54.1 Å²	54.1	7%	0.074	25%	0.246	C	C	.	.	S	Bend	trans	-79.7	173.8	-177.5	77.1	0	0	0	0	112.3	V684 P695 I698 V715	V684-C717 HydrophobicContact CG1-CB 4.18Å; V684-C717 VanDerWaalsContact CG1-SG 3.51Å; P695-C717 WeakPolarHBondContact O-CA 3.33Å; P695-C717 WeakPolarHBondContact O-CB 2.95Å; I698-C717 HydrophobicContact CB-CB 3.91Å; I698-C717 HydrophobicContact CG2-CB 4.26Å; I698-C717 WeakPolarHBondContact O-CB 3.47Å; V715-C717 VanDerWaalsContact C-N 3.31Å; V715-C717 WeakPolarHBondContact CG2-SG 3.47Å; V715-C717 PolarHBondContact O-N 3.36Å
718	R	92.4	Very high	92	Very high	137 Å²	137	58.6 Å²	58.6	52%	0.517	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	134.5	171	-80.2	-177.2	154.9	-171.7	-10.1	109.5	I698 L699 Y700	I698-R718 PolarHBondContact O-N 3.39Å; L699-R718 WeakPolarHBondContact CA-O 3.18Å; L699-R718 HydrophobicContact CD1-CB 3.75Å; Y700-R718 PolarHBondContact N-O 2.64Å
719	A	95.3	Very high	91.9	Very high	7 Å²	7	63.2 Å²	63.2	6%	0.058	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.8	168.4	0	0	0	0	0	109.4	Y700 R708 V711 M712	Y700-A719 HydrophobicContact CD1-CB 4.13Å; Y700-A719 HydrophobicContact CG-CB 4.45Å; Y700-A719 CarbonylContact O-C 3.58Å; Y700-A719 VanDerWaalsContact O-CA 3.3Å; Y700-A719 WeakPolarHBondContact O-CA 2.98Å; R708-A719 HydrophobicContact CG-CB 4.2Å; V711-A719 HydrophobicContact CB-CB 4.45Å; V711-A719 HydrophobicContact CG1-CB 4.05Å; M712-A719 HydrophobicContact CG-CB 3.78Å
720	V	96.4	Very high	91.9	Very high	17 Å²	17	61.3 Å²	61.3	10%	0.103	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.8	-178.5	-63.1	0	0	0	0	110.2	L699 Y700 V701 C702 A724 F725 F730	L699-V720 HydrophobicContact CD1-CG1 4.17Å; L699-V720 HydrophobicContact CD1-CG2 3.87Å; L699-V720 HydrophobicContact CD2-CG2 4.25Å; L699-V720 HydrophobicContact CG-CG2 4.19Å; Y700-V720 PolarHBondContact O-N 2.87Å; V701-V720 WeakPolarHBondContact CA-O 3.36Å; V701-V720 HydrophobicContact CG1-CG2 4.41Å; V701-V720 HydrophobicContact CG2-CG2 4.05Å; C702-V720 PolarHBondContact N-O 3.06Å; V720-A724 HydrophobicContact CB-CB 4.18Å; V720-F725 HydrophobicContact CG2-CB 3.97Å; V720-F730 HydrophobicContact CG1-CE1 4.2Å; V720-F730 HydrophobicContact CG1-CZ 4.18Å; V720-F730 HydrophobicContact CG2-CZ 4.32Å
721	T	94.7	Very high	91.6	Very high	9 Å²	9	65.5 Å²	65.5	6%	0.055	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	155.4	167.3	56.2	0	0	0	0	110.3	C702 D705 R708 R723 A724 F725	C702-T721 CarbonylContact O-C 3.51Å; C702-T721 WeakPolarHBondContact O-CA 3.26Å; D705-T721 VanDerWaalsContact OD1-CG2 3.25Å; D705-T721 WeakPolarHBondContact OD1-CG2 3.01Å; R708-T721 HydrophobicContact CB-CG2 4.22Å; T721-R723 PolarHBondContact O-N 3.21Å; T721-A724 WeakPolarHBondContact O-CA 3.48Å; T721-A724 WeakPolarHBondContact O-CB 3.39Å; T721-A724 PolarHBondContact O-N 3.15Å; T721-F725 PolarHBondContact O-N 3.25Å
722	R	93.8	Very high	91.5	Very high	1 Å²	1	72.8 Å²	72.8	0%	0.004	34%	0.343	C	S	.	.	H	α-helix	trans	-54.2	-37.2	176.6	-174.4	-153.8	55.5	73.9	8.9	111.7	V701 C702 E703 A724 F725 M726 F744 C745 W751	V701-R722 HydrophobicContact CG1-CB 4.14Å; C702-R722 PolarHBondContact O-N 3.48Å; E703-R722 IonicContact OE1-CZ 3.79Å; E703-R722 IonicContact OE1-NE 3.67Å; E703-R722 PolarHBondContact OE1-NE 2.82Å; E703-R722 IonicContact OE1-NH2 3.79Å; E703-R722 PolarHBondContact OE1-NH2 3.07Å; E703-R722 WeakPolarHBondContact OE2-CB 3.1Å; E703-R722 VanDerWaalsContact OE2-CD 3.28Å; E703-R722 WeakPolarHBondContact OE2-CD 3.3Å; E703-R722 IonicContact OE2-CZ 3.55Å; E703-R722 IonicContact OE2-NE 2.66Å; E703-R722 PolarHBondContact OE2-NE 3.39Å; E703-R722 IonicContact OE2-NH2 3.4Å; R722-A724 PolarHBondContact O-N 2.96Å; R722-F725 WeakPolarHBondContact O-CB 3.26Å; R722-F725 PolarHBondContact O-N 3.43Å; R722-M726 WeakPolarHBondContact O-CG 3.31Å; R722-M726 PolarHBondContact O-N 2.95Å; R722-F744 HydrophobicContact CB-CD2 4.26Å; R722-F744 HydrophobicContact CB-CE2 4.14Å; R722-F744 HydrophobicContact CB-CZ 4.33Å; R722-F744 HydrophobicContact CG-CD2 3.82Å; R722-F744 HydrophobicContact CG-CE2 4.03Å; R722-F744 HydrophobicContact CG-CG 4.31Å; R722-C745 VanDerWaalsContact CZ-O 3.24Å; R722-C745 PolarHBondContact NE-O 3.03Å; R722-C745 PolarHBondContact NH1-O 3.33Å; R722-C745 VanDerWaalsContact NH1-O 3.16Å; R722-W751 HydrophobicContact CG-CB 4.22Å; R722-W751 HydrophobicContact CG-CG 4.29Å
723	R	91.5	Very high	91.6	Very high	152 Å²	152	68.3 Å²	68.3	57%	0.574	32%	0.321	S	S	*	.	H	α-helix	trans	-60.7	-42.3	174.3	-68.9	-177	-176.9	171.4	0.9	112.8	T721 R727	T721-R723 PolarHBondContact O-N 3.21Å; R723-R727 WeakPolarHBondContact O-CG 3.34Å; R723-R727 PolarHBondContact O-N 3.31Å; R723-R727 PolarHBondContact O-NE 3.28Å
724	A	93.8	Very high	91.8	Very high	11 Å²	11	68.5 Å²	68.5	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-69.8	-42.3	174.4	0	0	0	0	0	111	V720 T721 R722 M726 R727 E728	V720-A724 HydrophobicContact CB-CB 4.18Å; T721-A724 WeakPolarHBondContact O-CA 3.48Å; T721-A724 WeakPolarHBondContact O-CB 3.39Å; T721-A724 PolarHBondContact O-N 3.15Å; R722-A724 PolarHBondContact O-N 2.96Å; A724-M726 VanDerWaalsContact C-N 3.25Å; A724-M726 PolarHBondContact O-N 2.77Å; A724-R727 PolarHBondContact O-N 3.48Å; A724-R727 VanDerWaalsContact O-N 3.1Å; A724-E728 WeakPolarHBondContact O-CB 3.5Å; A724-E728 PolarHBondContact O-N 2.83Å
725	F	95.2	Very high	92.2	Very high	1 Å²	1	64.7 Å²	64.7	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-54.2	-40.9	174.9	176.8	-114.1	0	0	0	112.5	L699 V701 V720 T721 R722 F730 I736 K754 A755	L699-F725 HydrophobicContact CD2-CD2 3.65Å; L699-F725 HydrophobicContact CD2-CE2 3.86Å; V701-F725 HydrophobicContact CG1-CB 3.93Å; V701-F725 HydrophobicContact CG1-CG 4.32Å; V701-F725 HydrophobicContact CG2-CB 4.4Å; V701-F725 HydrophobicContact CG2-CD2 4.23Å; V701-F725 HydrophobicContact CG2-CG 4.21Å; V720-F725 HydrophobicContact CG2-CB 3.97Å; T721-F725 PolarHBondContact O-N 3.25Å; R722-F725 WeakPolarHBondContact O-CB 3.26Å; R722-F725 PolarHBondContact O-N 3.43Å; F725-F730 AromaticContact CD2-CD2 3.99Å; F725-F730 HydrophobicContact CD2-CD2 3.99Å; F725-F730 AromaticContact CD2-CE2 3.8Å; F725-F730 HydrophobicContact CD2-CE2 3.8Å; F725-F730 HydrophobicContact CE2-CD2 4.25Å; F725-F730 HydrophobicContact CE2-CE2 4.5Å; F725-I736 HydrophobicContact CE2-CD1 4.17Å; F725-I736 HydrophobicContact CZ-CD1 4.23Å; F725-K754 HydrophobicContact CD1-CD 4.49Å; F725-K754 HydrophobicContact CE1-CB 4.11Å; F725-K754 HydrophobicContact CE1-CD 3.99Å; F725-K754 HydrophobicContact CE1-CG 4.01Å; F725-K754 HydrophobicContact CZ-CB 4.28Å; F725-K754 HydrophobicContact CZ-CD 4.05Å; F725-K754 HydrophobicContact CZ-CG 3.84Å; F725-K754 WeakPolarHBondContact O-CE 3.47Å; F725-K754 PolarHBondContact O-NZ 3.31Å; F725-A755 HydrophobicContact CE1-CB 4.32Å; F725-A755 HydrophobicContact CZ-CB 4.16Å
726	M	93.5	Very high	92.7	Very high	38 Å²	38	64.1 Å²	64.1	19%	0.187	30%	0.299	C	S	.	.	H	α-helix	trans	-70.5	-36.8	178.2	-69	-54.4	-73.8	0	0	113.5	R722 A724 H748 W751 K754	R722-M726 WeakPolarHBondContact O-CG 3.31Å; R722-M726 PolarHBondContact O-N 2.95Å; A724-M726 VanDerWaalsContact C-N 3.25Å; A724-M726 PolarHBondContact O-N 2.77Å; M726-H748 WeakPolarHBondContact CE-O 3.36Å; M726-W751 HydrophobicContact CE-CB 4.46Å; M726-W751 HydrophobicContact CG-CB 4.34Å; M726-W751 WeakPolarHBondContact SD-CA 3.2Å; M726-W751 HydrophobicContact SD-CB 3.49Å; M726-W751 WeakPolarHBondContact SD-CB 2.99Å; M726-K754 PolarHBondContact O-NZ 2.93Å; M726-K754 VanDerWaalsContact O-NZ 3.09Å; M726-K754 HydrophobicContact SD-CD 4.01Å
727	R	92.7	Very high	93.2	Very high	198 Å²	198	59.6 Å²	59.6	75%	0.747	27%	0.271	S	S	*	.	H	α-helix	trans	-80.8	-29.3	-176.1	-70.4	-176.2	-61.6	172.5	5.1	114.1	R723 A724	R723-R727 WeakPolarHBondContact O-CG 3.34Å; R723-R727 PolarHBondContact O-N 3.31Å; R723-R727 PolarHBondContact O-NE 3.28Å; A724-R727 PolarHBondContact O-N 3.48Å; A724-R727 VanDerWaalsContact O-N 3.1Å
728	E	93.2	Very high	93.5	Very high	95 Å²	95	59 Å²	59	44%	0.444	27%	0.268	S	S	.	.	S	Bend	trans	-104.3	159.4	-172.3	-65.5	175	-152	0	0	112.3	A724 F730 K754	A724-E728 WeakPolarHBondContact O-CB 3.5Å; A724-E728 PolarHBondContact O-N 2.83Å; E728-F730 HydrophobicContact CB-CE2 3.76Å; E728-F730 HydrophobicContact CB-CZ 3.74Å; E728-F730 WeakPolarHBondContact O-CE2 3.31Å; E728-K754 PolarHBondContact O-NZ 3.09Å
729	E	92	Very high	93.6	Very high	150 Å²	150	52.5 Å²	52.5	70%	0.701	24%	0.243	S	C	*	.			trans	-106.1	141.1	175.1	-71.8	-56.9	144.5	0	0	111.7	P731 K754	E729-P731 VanDerWaalsContact C-CD 3.47Å; E729-P731 WeakPolarHBondContact O-CD 3.12Å; E729-K754 IonicContact OE1-NZ 2.74Å
730	F	91.1	Very high	93.4	Very high	10 Å²	10	52.7 Å²	52.7	4%	0.044	24%	0.243	C	C	.	.			trans	-126.8	61.4	-172.1	-61.6	-86.3	0	0	0	112.6	L699 V720 F725 E728 K732 V733	L699-F730 HydrophobicContact CD1-CD1 4.11Å; L699-F730 HydrophobicContact CD1-CE1 3.98Å; L699-F730 HydrophobicContact CD2-CD1 4.05Å; L699-F730 HydrophobicContact CD2-CD2 4.18Å; L699-F730 HydrophobicContact CD2-CE1 4.25Å; L699-F730 HydrophobicContact CD2-CE2 4.39Å; L699-F730 HydrophobicContact CD2-CG 4.02Å; L699-F730 HydrophobicContact CD2-CZ 4.42Å; V720-F730 HydrophobicContact CG1-CE1 4.2Å; V720-F730 HydrophobicContact CG1-CZ 4.18Å; V720-F730 HydrophobicContact CG2-CZ 4.32Å; F725-F730 AromaticContact CD2-CD2 3.99Å; F725-F730 HydrophobicContact CD2-CD2 3.99Å; F725-F730 AromaticContact CD2-CE2 3.8Å; F725-F730 HydrophobicContact CD2-CE2 3.8Å; F725-F730 HydrophobicContact CE2-CD2 4.25Å; F725-F730 HydrophobicContact CE2-CE2 4.5Å; E728-F730 HydrophobicContact CB-CE2 3.76Å; E728-F730 HydrophobicContact CB-CZ 3.74Å; E728-F730 WeakPolarHBondContact O-CE2 3.31Å; F730-K732 PolarHBondContact O-N 3Å; F730-V733 HydrophobicContact CB-CB 3.96Å; F730-V733 HydrophobicContact CB-CG2 3.69Å; F730-V733 HydrophobicContact CD1-CG2 4.26Å; F730-V733 HydrophobicContact CG-CG2 4.34Å; F730-V733 WeakPolarHBondContact O-CB 3.37Å; F730-V733 PolarHBondContact O-N 3.37Å
731	P	85.7	Confident	93.1	Very high	125 Å²	125	51.9 Å²	51.9	81%	0.812	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-14.2	-169.4	27.1	-36.8	0	0	0	115.1	E729	E729-P731 VanDerWaalsContact C-CD 3.47Å; E729-P731 WeakPolarHBondContact O-CD 3.12Å
732	K	88.4	Confident	92.7	Very high	154 Å²	154	52 Å²	52	67%	0.67	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-11.2	177.8	-64.3	-177.8	-179.5	177.8	0	113.1	E697 F730	E697-K732 WeakPolarHBondContact CA-O 3.23Å; F730-K732 PolarHBondContact O-N 3Å
733	V	93.4	Very high	92.3	Very high	12 Å²	12	52.5 Å²	52.5	7%	0.073	24%	0.24	C	C	.	.			trans	-76.1	132.9	-176.8	169.9	0	0	0	0	109.1	L699 F730 H735 I736 T758	L699-V733 HydrophobicContact CB-CB 4.48Å; L699-V733 HydrophobicContact CB-CG1 3.67Å; L699-V733 HydrophobicContact CB-CG2 3.94Å; L699-V733 HydrophobicContact CD2-CG1 4.48Å; L699-V733 HydrophobicContact CD2-CG2 4.48Å; F730-V733 HydrophobicContact CB-CB 3.96Å; F730-V733 HydrophobicContact CB-CG2 3.69Å; F730-V733 HydrophobicContact CD1-CG2 4.26Å; F730-V733 HydrophobicContact CG-CG2 4.34Å; F730-V733 WeakPolarHBondContact O-CB 3.37Å; F730-V733 PolarHBondContact O-N 3.37Å; V733-H735 WeakPolarHBondContact CG1-O 3.4Å; V733-I736 HydrophobicContact CG1-CD1 4.35Å; V733-I736 HydrophobicContact CG1-CG1 3.8Å; V733-T758 HydrophobicContact CB-CG2 4.39Å; V733-T758 HydrophobicContact CG1-CG2 4.23Å
734	K	92	Very high	92.2	Very high	110 Å²	110	45.4 Å²	45.4	48%	0.478	21%	0.214	S	C	.	.			trans	-115.7	-35	175.2	-67	175.4	177.4	164.8	0	111.2	E697 G771	E697-K734 PolarHBondContact O-N 3.26Å; E697-K734 VanDerWaalsContact OE1-CE 3.27Å; E697-K734 WeakPolarHBondContact OE1-CE 3.49Å; E697-K734 IonicContact OE1-NZ 3.67Å; E697-K734 PolarHBondContact OE1-NZ 2.86Å; K734-G771 VanDerWaalsContact O-CA 3.29Å; K734-G771 WeakPolarHBondContact O-CA 3.28Å
735	H	95.6	Very high	91.7	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.06	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137	-175.3	-48.9	-82.1	0	0	0	110.3	I687 F691 E697 I698 L699 V733 I772	I687-H735 HydrophobicContact CG2-CB 3.89Å; F691-H735 AromaticContact CD2-CE1 3.94Å; F691-H735 AromaticContact CG-CE1 3.87Å; E697-H735 PolarHBondContact O-N 3.45Å; I698-H735 CarbonylContact C-O 3.52Å; I698-H735 WeakPolarHBondContact CA-O 3.14Å; I698-H735 HydrophobicContact CG1-CB 4.3Å; I698-H735 HydrophobicContact CG2-CB 4.37Å; L699-H735 PolarHBondContact N-O 3.46Å; V733-H735 WeakPolarHBondContact CG1-O 3.4Å; H735-I772 CarbonylContact C-O 3.59Å; H735-I772 WeakPolarHBondContact CA-O 3.39Å; H735-I772 HydrophobicContact CB-CB 4.22Å; H735-I772 PolarHBondContact ND1-N 3.42Å; H735-I772 VanDerWaalsContact ND1-N 3.14Å
736	I	97.8	Very high	91.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.6	179.2	-57.3	-177.8	0	0	0	109.4	L699 V701 F725 V733 L738 A755 T758 T759 I772 L773 W774	L699-I736 HydrophobicContact CB-CG1 4.34Å; L699-I736 CarbonylContact O-C 3.49Å; L699-I736 VanDerWaalsContact O-CA 3.29Å; L699-I736 WeakPolarHBondContact O-CA 3.43Å; V701-I736 HydrophobicContact CG2-CG2 4.15Å; F725-I736 HydrophobicContact CE2-CD1 4.17Å; F725-I736 HydrophobicContact CZ-CD1 4.23Å; V733-I736 HydrophobicContact CG1-CD1 4.35Å; V733-I736 HydrophobicContact CG1-CG1 3.8Å; I736-L738 HydrophobicContact CG2-CD2 3.44Å; I736-L738 VanDerWaalsContact CG2-CD2 3.44Å; I736-L738 HydrophobicContact CG2-CG 3.87Å; I736-A755 HydrophobicContact CD1-CB 4.25Å; I736-T758 HydrophobicContact CD1-CG2 3.92Å; I736-T759 HydrophobicContact CB-CG2 3.94Å; I736-T759 HydrophobicContact CD1-CG2 3.8Å; I736-T759 HydrophobicContact CG1-CG2 3.61Å; I736-I772 PolarHBondContact N-O 3.12Å; I736-L773 HydrophobicContact CB-CD1 4.08Å; I736-L773 HydrophobicContact CG2-CD1 4.24Å; I736-L773 WeakPolarHBondContact O-CA 3Å; I736-W774 PolarHBondContact O-N 2.76Å; I736-W774 VanDerWaalsContact O-N 3.12Å
737	V	97.6	Very high	90.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.9	167.3	177.6	0	0	0	0	107.7	A680 V684 I687 L699 Y700 V701 W774 F776	A680-V737 HydrophobicContact CB-CG1 4.2Å; V684-V737 HydrophobicContact CG2-CB 3.95Å; V684-V737 HydrophobicContact CG2-CG1 4.27Å; V684-V737 HydrophobicContact CG2-CG2 3.79Å; I687-V737 HydrophobicContact CD1-CG2 3.55Å; L699-V737 PolarHBondContact O-N 2.88Å; Y700-V737 CarbonylContact C-O 3.6Å; Y700-V737 WeakPolarHBondContact CA-O 3.47Å; Y700-V737 HydrophobicContact CD2-CB 4.34Å; Y700-V737 HydrophobicContact CD2-CG1 4.21Å; Y700-V737 HydrophobicContact CE2-CG1 4.37Å; V701-V737 PolarHBondContact N-O 2.96Å; V737-W774 WeakPolarHBondContact CA-O 3.28Å; V737-F776 HydrophobicContact CG1-CD2 4Å; V737-F776 HydrophobicContact CG1-CE2 3.87Å
738	L	97.3	Very high	89.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.5	179.4	-54.9	177.6	0	0	0	108.5	V701 I736 T741 F744 W751 A755 L773 W774 L775 F776	V701-L738 HydrophobicContact CB-CD2 3.46Å; V701-L738 VanDerWaalsContact CB-CD2 3.46Å; V701-L738 HydrophobicContact CG1-CD2 4.24Å; V701-L738 HydrophobicContact CG2-CD2 3.64Å; V701-L738 WeakPolarHBondContact O-CA 3.14Å; I736-L738 HydrophobicContact CG2-CD2 3.44Å; I736-L738 VanDerWaalsContact CG2-CD2 3.44Å; I736-L738 HydrophobicContact CG2-CG 3.87Å; L738-T741 HydrophobicContact CB-CG2 3.44Å; L738-T741 VanDerWaalsContact CB-CG2 3.44Å; L738-T741 HydrophobicContact CD1-CG2 4.46Å; L738-F744 HydrophobicContact CD2-CE2 4.41Å; L738-W751 HydrophobicContact CD1-CE3 4.1Å; L738-W751 HydrophobicContact CD1-CZ3 3.58Å; L738-A755 HydrophobicContact CD1-CB 4.25Å; L738-L773 HydrophobicContact CD1-CD1 4.01Å; L738-L773 HydrophobicContact CG-CD1 4.37Å; L738-W774 PolarHBondContact N-O 3.47Å; L738-L775 HydrophobicContact CB-CG 4.43Å; L738-L775 HydrophobicContact CD1-CD2 3.75Å; L738-L775 HydrophobicContact CD1-CG 3.97Å; L738-F776 PolarHBondContact O-N 2.79Å
739	D	95.4	Very high	89.3	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.			trans	-115.5	150.2	178.1	-170	27.6	0	0	0	111.7	T677 A680 Y700 V701 T741 F744	T677-D739 WeakPolarHBondContact CA-OD2 3.5Å; T677-D739 VanDerWaalsContact CB-OD2 3.3Å; T677-D739 WeakPolarHBondContact CB-OD2 3.3Å; T677-D739 WeakPolarHBondContact CG2-OD2 3.38Å; T677-D739 PolarHBondContact OG1-OD2 2.65Å; A680-D739 HydrophobicContact CB-CB 4.29Å; Y700-D739 HydrophobicContact CE1-CB 4.16Å; Y700-D739 HydrophobicContact CE2-CB 4.02Å; Y700-D739 VanDerWaalsContact CZ-CB 3.49Å; Y700-D739 WeakPolarHBondContact OH-CB 3.32Å; Y700-D739 VanDerWaalsContact OH-CG 3.28Å; Y700-D739 PolarHBondContact OH-OD2 3.03Å; V701-D739 PolarHBondContact O-N 3.36Å; D739-T741 PolarHBondContact O-N 3.1Å; D739-F744 WeakPolarHBondContact O-CE1 3.36Å
740	E	90.6	Very high	89.2	Confident	10 Å²	10	46 Å²	46	5%	0.047	23%	0.232	C	C	.	.	S	Bend	trans	50.2	42.6	-175.1	-58.1	-161.4	152.4	0	0	113.5	L707 E742 N743 F744 F776 S939 G940	L707-E740 HydrophobicContact CD2-CG 4.25Å; E740-E742 VanDerWaalsContact C-OE2 3.3Å; E740-E742 WeakPolarHBondContact CA-OE2 3.36Å; E740-E742 PolarHBondContact O-N 3.28Å; E740-E742 VanDerWaalsContact O-N 3.1Å; E740-N743 WeakPolarHBondContact O-CB 3.47Å; E740-N743 PolarHBondContact O-N 3.45Å; E740-F744 WeakPolarHBondContact O-CD1 3.46Å; E740-F776 PolarHBondContact N-O 3.12Å; E740-S939 PolarHBondContact OE1-OG 3.49Å; E740-S939 WeakPolarHBondContact OE2-CB 3.43Å; E740-S939 PolarHBondContact OE2-OG 3.45Å; E740-G940 VanDerWaalsContact OE1-CA 3.3Å; E740-G940 WeakPolarHBondContact OE1-CA 2.91Å; E740-G940 PolarHBondContact OE1-N 3.36Å
741	T	91	Very high	89.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-63.5	-18.4	-176.4	54.4	0	0	0	0	113.6	L738 D739 N743 F744 W751 L775 F776 L777	L738-T741 HydrophobicContact CB-CG2 3.44Å; L738-T741 VanDerWaalsContact CB-CG2 3.44Å; L738-T741 HydrophobicContact CD1-CG2 4.46Å; D739-T741 PolarHBondContact O-N 3.1Å; T741-N743 PolarHBondContact O-N 3.14Å; T741-F744 HydrophobicContact CG2-CD2 4.36Å; T741-F744 HydrophobicContact CG2-CE2 4.1Å; T741-F744 HydrophobicContact CG2-CZ 4.21Å; T741-F744 WeakPolarHBondContact O-CB 3.31Å; T741-F744 PolarHBondContact O-N 3.15Å; T741-W751 HydrophobicContact CG2-CH2 4.29Å; T741-L775 HydrophobicContact CG2-CB 4.4Å; T741-L775 HydrophobicContact CG2-CD2 4.39Å; T741-F776 PolarHBondContact N-O 3.28Å; T741-F776 PolarHBondContact OG1-O 3.22Å; T741-F776 VanDerWaalsContact OG1-O 3.1Å; T741-L777 WeakPolarHBondContact OG1-CB 3.29Å
742	E	86	Confident	89.7	Confident	11 Å²	11	40.5 Å²	40.5	5%	0.051	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-62.9	-22.1	170.5	73.9	-80.5	-179.7	0	0	113.5	K676 E740 L777 D778 T782	K676-E742 IonicContact NZ-OE1 3.18Å; K676-E742 PolarHBondContact NZ-OE1 2.94Å; K676-E742 IonicContact NZ-OE2 3.78Å; K676-E742 PolarHBondContact NZ-OE2 3.48Å; E740-E742 VanDerWaalsContact C-OE2 3.3Å; E740-E742 WeakPolarHBondContact CA-OE2 3.36Å; E740-E742 PolarHBondContact O-N 3.28Å; E740-E742 VanDerWaalsContact O-N 3.1Å; E742-L777 WeakPolarHBondContact OE2-CA 3.29Å; E742-D778 WeakPolarHBondContact CG-O 3.21Å; E742-D778 PolarHBondContact OE2-N 3.3Å; E742-T782 HydrophobicContact CB-CG2 4.37Å
743	N	85.7	Confident	89.8	Confident	12 Å²	12	37.3 Å²	37.3	6%	0.064	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-95.7	-0.9	179.1	-65.4	-41.5	0	0	0	113	E703 E740 T741	E703-N743 HydrophobicContact CB-CB 4.49Å; E740-N743 WeakPolarHBondContact O-CB 3.47Å; E740-N743 PolarHBondContact O-N 3.45Å; T741-N743 PolarHBondContact O-N 3.14Å
744	F	88.9	Confident	89.8	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.018	19%	0.186	C	C	.	.			trans	-71.7	161.3	-178.3	-77.4	23.3	0	0	0	111.1	V701 E703 R722 L738 D739 E740 T741 W751 S788	V701-F744 HydrophobicContact CG1-CE2 4.29Å; V701-F744 HydrophobicContact CG1-CZ 4.19Å; E703-F744 HydrophobicContact CB-CD1 3.94Å; E703-F744 HydrophobicContact CB-CE1 4.07Å; R722-F744 HydrophobicContact CB-CD2 4.26Å; R722-F744 HydrophobicContact CB-CE2 4.14Å; R722-F744 HydrophobicContact CB-CZ 4.33Å; R722-F744 HydrophobicContact CG-CD2 3.82Å; R722-F744 HydrophobicContact CG-CE2 4.03Å; R722-F744 HydrophobicContact CG-CG 4.31Å; L738-F744 HydrophobicContact CD2-CE2 4.41Å; D739-F744 WeakPolarHBondContact O-CE1 3.36Å; E740-F744 WeakPolarHBondContact O-CD1 3.46Å; T741-F744 HydrophobicContact CG2-CD2 4.36Å; T741-F744 HydrophobicContact CG2-CE2 4.1Å; T741-F744 HydrophobicContact CG2-CZ 4.21Å; T741-F744 WeakPolarHBondContact O-CB 3.31Å; T741-F744 PolarHBondContact O-N 3.15Å; F744-W751 HydrophobicContact CB-CZ2 3.91Å; F744-W751 AromaticContact CD2-CD2 3.77Å; F744-W751 HydrophobicContact CD2-CD2 3.77Å; F744-W751 AromaticContact CD2-CE2 3.68Å; F744-W751 AromaticContact CD2-CE3 3.96Å; F744-W751 HydrophobicContact CD2-CE3 3.96Å; F744-W751 HydrophobicContact CD2-CG 4.38Å; F744-W751 HydrophobicContact CD2-CH2 4.02Å; F744-W751 AromaticContact CD2-CZ2 3.8Å; F744-W751 HydrophobicContact CD2-CZ2 3.8Å; F744-W751 HydrophobicContact CD2-CZ3 4.12Å; F744-W751 HydrophobicContact CE2-CE3 4.33Å; F744-W751 HydrophobicContact CE2-CZ3 4.45Å; F744-W751 HydrophobicContact CG-CZ2 4.29Å; F744-S788 CarbonylContact C-O 3.49Å; F744-S788 VanDerWaalsContact O-CA 3.24Å; F744-S788 WeakPolarHBondContact O-CA 3.48Å
745	C	82.6	Confident	89.9	Confident	25 Å²	25	33.1 Å²	33.1	17%	0.169	16%	0.163	C	C	.	.			trans	-131.1	129.5	-179.8	-175.9	0	0	0	0	111.4	R722 R747	R722-C745 VanDerWaalsContact CZ-O 3.24Å; R722-C745 PolarHBondContact NE-O 3.03Å; R722-C745 PolarHBondContact NH1-O 3.33Å; R722-C745 VanDerWaalsContact NH1-O 3.16Å; C745-R747 VanDerWaalsContact SG-CG 3.52Å
746	S	82.2	Confident	89.8	Confident	38 Å²	38	35 Å²	35	27%	0.266	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-85.3	-1.8	-179.8	66.6	0	0	0	0	115.1	H748 G749 A787	S746-H748 PolarHBondContact O-N 3.45Å; S746-G749 PolarHBondContact O-N 2.89Å; S746-A787 PolarHBondContact N-O 2.68Å; S746-A787 VanDerWaalsContact N-O 3.13Å; S746-A787 PolarHBondContact OG-O 3.06Å
747	R	80.6	Confident	89.4	Confident	202 Å²	202	38.1 Å²	38.1	76%	0.762	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-57.1	-20.2	-177.6	-72.4	178.8	-174.2	-178.3	2.3	114.6	C745	C745-R747 VanDerWaalsContact SG-CG 3.52Å
748	H	77.6	Confident	89.1	Confident	119 Å²	119	39.9 Å²	39.9	55%	0.551	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-107.3	19.6	-178.8	-57.2	-70.2	0	0	0	113.2	M726 S746	M726-H748 WeakPolarHBondContact CE-O 3.36Å; S746-H748 PolarHBondContact O-N 3.45Å
749	G	84.2	Confident	88.8	Confident	34 Å²	34	40 Å²	40	35%	0.351	21%	0.205	S	C	.	.			trans	110.4	171.3	-179.7	0	0	0	0	0	113.4	S746 W751	S746-G749 PolarHBondContact O-N 2.89Å; G749-W751 PolarHBondContact O-N 2.93Å
750	D	89.9	Confident	88.4	Confident	86 Å²	86	41.7 Å²	41.7	46%	0.46	21%	0.213	S	C	.	.			trans	-78	88.1	-178.3	-164.7	-27	0	0	0	110.9	Y752 E753 K754	D750-Y752 PolarHBondContact O-N 3.48Å; D750-Y752 WeakPolarHBondContact OD1-CB 3.04Å; D750-Y752 PolarHBondContact OD1-N 3.35Å; D750-Y752 VanDerWaalsContact OD1-N 3.11Å; D750-E753 HydrophobicContact CB-CB 4.11Å; D750-E753 HydrophobicContact CB-CG 4.5Å; D750-E753 PolarHBondContact OD1-N 3.42Å; D750-E753 VanDerWaalsContact OD2-CG 3.3Å; D750-E753 WeakPolarHBondContact OD2-CG 3.4Å; D750-K754 PolarHBondContact O-N 3.44Å; D750-K754 VanDerWaalsContact O-N 3.13Å
751	W	93.3	Very high	87.9	Confident	1 Å²	1	43.8 Å²	43.8	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-26.9	178	61.3	-99.9	0	0	0	112.4	R722 M726 L738 T741 F744 G749 A755 L775 S788 L790	R722-W751 HydrophobicContact CG-CB 4.22Å; R722-W751 HydrophobicContact CG-CG 4.29Å; M726-W751 HydrophobicContact CE-CB 4.46Å; M726-W751 HydrophobicContact CG-CB 4.34Å; M726-W751 WeakPolarHBondContact SD-CA 3.2Å; M726-W751 HydrophobicContact SD-CB 3.49Å; M726-W751 WeakPolarHBondContact SD-CB 2.99Å; L738-W751 HydrophobicContact CD1-CE3 4.1Å; L738-W751 HydrophobicContact CD1-CZ3 3.58Å; T741-W751 HydrophobicContact CG2-CH2 4.29Å; F744-W751 HydrophobicContact CB-CZ2 3.91Å; F744-W751 AromaticContact CD2-CD2 3.77Å; F744-W751 HydrophobicContact CD2-CD2 3.77Å; F744-W751 AromaticContact CD2-CE2 3.68Å; F744-W751 AromaticContact CD2-CE3 3.96Å; F744-W751 HydrophobicContact CD2-CE3 3.96Å; F744-W751 HydrophobicContact CD2-CG 4.38Å; F744-W751 HydrophobicContact CD2-CH2 4.02Å; F744-W751 AromaticContact CD2-CZ2 3.8Å; F744-W751 HydrophobicContact CD2-CZ2 3.8Å; F744-W751 HydrophobicContact CD2-CZ3 4.12Å; F744-W751 HydrophobicContact CE2-CE3 4.33Å; F744-W751 HydrophobicContact CE2-CZ3 4.45Å; F744-W751 HydrophobicContact CG-CZ2 4.29Å; G749-W751 PolarHBondContact O-N 2.93Å; W751-A755 WeakPolarHBondContact O-CB 3.43Å; W751-A755 PolarHBondContact O-N 2.66Å; W751-L775 HydrophobicContact CH2-CD2 4.26Å; W751-L775 HydrophobicContact CZ3-CD2 4.14Å; W751-S788 PolarHBondContact NE1-O 2.87Å; W751-L790 HydrophobicContact CH2-CD2 3.7Å; W751-L790 HydrophobicContact CH2-CG 4.02Å; W751-L790 HydrophobicContact CZ2-CD2 4.25Å; W751-L790 HydrophobicContact CZ2-CG 4.04Å
752	Y	93.1	Very high	86.9	Confident	19 Å²	19	53.6 Å²	53.6	8%	0.075	27%	0.27	C	S	.	.	H	α-helix	trans	-75.2	-45.5	-177.3	176.1	-107.1	0	0	0	110.4	E665 F667 D750 K754 A755 K756 L775 P791	E665-Y752 PolarHBondContact OE1-OH 3.11Å; F667-Y752 HydrophobicContact CE1-CE2 4.29Å; F667-Y752 AromaticContact CZ-CE2 3.79Å; F667-Y752 HydrophobicContact CZ-CE2 3.79Å; F667-Y752 AromaticContact CZ-CZ 3.84Å; F667-Y752 VanDerWaalsContact CZ-OH 3.27Å; F667-Y752 WeakPolarHBondContact CZ-OH 3.36Å; D750-Y752 PolarHBondContact O-N 3.48Å; D750-Y752 WeakPolarHBondContact OD1-CB 3.04Å; D750-Y752 PolarHBondContact OD1-N 3.35Å; D750-Y752 VanDerWaalsContact OD1-N 3.11Å; Y752-K754 VanDerWaalsContact C-N 3.32Å; Y752-K754 PolarHBondContact O-N 3.08Å; Y752-A755 PolarHBondContact O-N 3.14Å; Y752-K756 HydrophobicContact CE1-CD 4.23Å; Y752-K756 VanDerWaalsContact CE1-CE 3.47Å; Y752-K756 PolarHBondContact O-N 2.92Å; Y752-K756 WeakPolarHBondContact OH-CE 3.49Å; Y752-K756 PolarHBondContact OH-NZ 3.35Å; Y752-L775 HydrophobicContact CD2-CD2 3.93Å; Y752-L775 HydrophobicContact CE2-CD1 4.45Å; Y752-L775 HydrophobicContact CE2-CD2 3.9Å; Y752-P791 HydrophobicContact CE1-CG 4.01Å; Y752-P791 HydrophobicContact CE2-CG 4.39Å
753	E	91.4	Very high	85.6	Confident	88 Å²	88	55.7 Å²	55.7	41%	0.411	29%	0.289	S	S	.	.	H	α-helix	trans	-63.2	-36.3	171.5	-79.6	-63.7	155	0	0	112.5	D750 K756 S757	D750-E753 HydrophobicContact CB-CB 4.11Å; D750-E753 HydrophobicContact CB-CG 4.5Å; D750-E753 PolarHBondContact OD1-N 3.42Å; D750-E753 VanDerWaalsContact OD2-CG 3.3Å; D750-E753 WeakPolarHBondContact OD2-CG 3.4Å; E753-K756 PolarHBondContact O-N 3.37Å; E753-S757 WeakPolarHBondContact O-CB 3.36Å; E753-S757 PolarHBondContact O-N 3.42Å; E753-S757 PolarHBondContact O-OG 3.45Å
754	K	93.5	Very high	83.9	Confident	33 Å²	33	61.7 Å²	61.7	14%	0.143	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-45.9	171.9	-172.8	175.9	-175.4	175.7	0	111.3	F725 M726 E728 E729 D750 Y752 S757 T758	F725-K754 HydrophobicContact CD1-CD 4.49Å; F725-K754 HydrophobicContact CE1-CB 4.11Å; F725-K754 HydrophobicContact CE1-CD 3.99Å; F725-K754 HydrophobicContact CE1-CG 4.01Å; F725-K754 HydrophobicContact CZ-CB 4.28Å; F725-K754 HydrophobicContact CZ-CD 4.05Å; F725-K754 HydrophobicContact CZ-CG 3.84Å; F725-K754 WeakPolarHBondContact O-CE 3.47Å; F725-K754 PolarHBondContact O-NZ 3.31Å; M726-K754 PolarHBondContact O-NZ 2.93Å; M726-K754 VanDerWaalsContact O-NZ 3.09Å; M726-K754 HydrophobicContact SD-CD 4.01Å; E728-K754 PolarHBondContact O-NZ 3.09Å; E729-K754 IonicContact OE1-NZ 2.74Å; D750-K754 PolarHBondContact O-N 3.44Å; D750-K754 VanDerWaalsContact O-N 3.13Å; Y752-K754 VanDerWaalsContact C-N 3.32Å; Y752-K754 PolarHBondContact O-N 3.08Å; K754-S757 PolarHBondContact O-N 2.87Å; K754-T758 WeakPolarHBondContact O-CB 3.17Å; K754-T758 PolarHBondContact O-N 3.41Å; K754-T758 PolarHBondContact O-OG1 3.23Å
755	A	94.3	Very high	82.1	Confident	0 Å²	0	65 Å²	65	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-63.5	-40.6	177.9	0	0	0	0	0	112.3	F725 I736 L738 W751 Y752 T758 T759 L773	F725-A755 HydrophobicContact CE1-CB 4.32Å; F725-A755 HydrophobicContact CZ-CB 4.16Å; I736-A755 HydrophobicContact CD1-CB 4.25Å; L738-A755 HydrophobicContact CD1-CB 4.25Å; W751-A755 WeakPolarHBondContact O-CB 3.43Å; W751-A755 PolarHBondContact O-N 2.66Å; Y752-A755 PolarHBondContact O-N 3.14Å; A755-T758 PolarHBondContact O-N 3.19Å; A755-T759 WeakPolarHBondContact O-CG2 3.46Å; A755-T759 PolarHBondContact O-N 2.93Å; A755-T759 VanDerWaalsContact O-N 3.13Å; A755-T759 PolarHBondContact O-OG1 3.38Å; A755-L773 HydrophobicContact CB-CD1 3.81Å
756	K	92.3	Very high	80.6	Confident	52 Å²	52	71.2 Å²	71.2	23%	0.226	39%	0.394	C	S	.	.	H	α-helix	trans	-62.2	-50.9	172.5	-78.2	-159.3	-178.4	-156.5	0	112.4	E665 Y752 E753 T758 T759 H760 L773	E665-K756 VanDerWaalsContact CD-CE 3.43Å; E665-K756 WeakPolarHBondContact OE1-CE 3.32Å; E665-K756 IonicContact OE1-NZ 3.93Å; E665-K756 PolarHBondContact OE1-NZ 2.86Å; E665-K756 WeakPolarHBondContact OE2-CE 3.31Å; E665-K756 IonicContact OE2-NZ 3.4Å; E665-K756 PolarHBondContact OE2-NZ 3.15Å; Y752-K756 HydrophobicContact CE1-CD 4.23Å; Y752-K756 VanDerWaalsContact CE1-CE 3.47Å; Y752-K756 PolarHBondContact O-N 2.92Å; Y752-K756 WeakPolarHBondContact OH-CE 3.49Å; Y752-K756 PolarHBondContact OH-NZ 3.35Å; E753-K756 PolarHBondContact O-N 3.37Å; K756-T758 PolarHBondContact O-N 2.87Å; K756-T759 PolarHBondContact O-N 3.15Å; K756-T759 VanDerWaalsContact O-N 3.13Å; K756-T759 PolarHBondContact O-OG1 3.09Å; K756-H760 WeakPolarHBondContact O-CA 3.36Å; K756-H760 WeakPolarHBondContact O-CB 3.48Å; K756-H760 PolarHBondContact O-N 2.79Å; K756-L773 HydrophobicContact CB-CD2 4.49Å; K756-L773 HydrophobicContact CG-CD2 3.62Å
757	S	90.8	Very high	79	Confident	67 Å²	67	81.1 Å²	81.1	47%	0.469	43%	0.426	S	S	.	.	H	α-helix	trans	-61	-32.7	-179.1	-61.2	0	0	0	0	112.4	E753 K754	E753-S757 WeakPolarHBondContact O-CB 3.36Å; E753-S757 PolarHBondContact O-N 3.42Å; E753-S757 PolarHBondContact O-OG 3.45Å; K754-S757 PolarHBondContact O-N 2.87Å
758	T	89.7	Confident	77.9	Confident	36 Å²	36	75.3 Å²	75.3	22%	0.221	41%	0.409	C	S	.	.	H	α-helix	trans	-71.1	-39.7	176.6	-53.9	0	0	0	0	112.3	V733 I736 K754 A755 K756	V733-T758 HydrophobicContact CB-CG2 4.39Å; V733-T758 HydrophobicContact CG1-CG2 4.23Å; I736-T758 HydrophobicContact CD1-CG2 3.92Å; K754-T758 WeakPolarHBondContact O-CB 3.17Å; K754-T758 PolarHBondContact O-N 3.41Å; K754-T758 PolarHBondContact O-OG1 3.23Å; A755-T758 PolarHBondContact O-N 3.19Å; K756-T758 PolarHBondContact O-N 2.87Å
759	T	90.9	Very high	77.3	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.012	42%	0.423	C	S	.	.	H	α-helix	trans	-90.1	-25.2	-175.9	50.3	0	0	0	0	113.4	I736 A755 K756 G771 I772 L773	I736-T759 HydrophobicContact CB-CG2 3.94Å; I736-T759 HydrophobicContact CD1-CG2 3.8Å; I736-T759 HydrophobicContact CG1-CG2 3.61Å; A755-T759 WeakPolarHBondContact O-CG2 3.46Å; A755-T759 PolarHBondContact O-N 2.93Å; A755-T759 VanDerWaalsContact O-N 3.13Å; A755-T759 PolarHBondContact O-OG1 3.38Å; K756-T759 PolarHBondContact O-N 3.15Å; K756-T759 VanDerWaalsContact O-N 3.13Å; K756-T759 PolarHBondContact O-OG1 3.09Å; T759-G771 PolarHBondContact O-N 3.34Å; T759-I772 WeakPolarHBondContact CG2-O 3.2Å; T759-L773 HydrophobicContact CG2-CB 4.2Å
760	H	88.7	Confident	77.3	Confident	36 Å²	36	81.2 Å²	81.2	17%	0.167	43%	0.427	C	S	.	.	S	Bend	trans	-131.2	65.1	-175.1	-57.7	78.2	0	0	0	110.5	K756 K762 H770	K756-H760 WeakPolarHBondContact O-CA 3.36Å; K756-H760 WeakPolarHBondContact O-CB 3.48Å; K756-H760 PolarHBondContact O-N 2.79Å; H760-K762 PolarHBondContact O-N 2.83Å; H760-H770 AromaticContact CD2-CD2 3.78Å; H760-H770 AromaticContact CD2-CG 3.34Å; H760-H770 AromaticContact CD2-ND1 3.53Å
761	P	78.9	Confident	77.3	Confident	55 Å²	55	77.2 Å²	77.2	36%	0.357	41%	0.407	S	S	.	.			trans	-63.9	130.3	-176.5	25.3	-34.4	0	0	0	112.1	A763 L768	P761-A763 VanDerWaalsContact C-N 3.34Å; P761-A763 PolarHBondContact O-N 2.74Å; P761-L768 HydrophobicContact CB-CD1 4.25Å; P761-L768 HydrophobicContact CG-CB 4.41Å; P761-L768 HydrophobicContact CG-CD1 3.75Å
762	K	69.5	Low	77.4	Confident	205 Å²	205	77.2 Å²	77.2	89%	0.891	41%	0.407	S	S	*	.			trans	-79.4	72.9	177.4	-62.4	177.2	-177.3	171.9	0	110.7	H760	H760-K762 PolarHBondContact O-N 2.83Å
763	A	59.7	Low	77.6	Confident	56 Å²	56	76.3 Å²	76.3	46%	0.463	40%	0.403	S	S	.	.			trans	-97.6	131.4	172.9	0	0	0	0	0	111.5	P761 G765 L768	P761-A763 VanDerWaalsContact C-N 3.34Å; P761-A763 PolarHBondContact O-N 2.74Å; A763-G765 VanDerWaalsContact C-N 3.34Å; A763-G765 PolarHBondContact O-N 3.43Å; A763-G765 VanDerWaalsContact O-N 3.12Å; A763-L768 HydrophobicContact CB-CD1 3.55Å
764	S	50.8	Low	77.9	Confident	137 Å²	137	72.1 Å²	72.1	96%	0.958	38%	0.384	S	S	*	.	S	Bend	trans	-84.1	37.8	-165.7	62.1	0	0	0	0	115.9
765	G	51.2	Low	78	Confident	74 Å²	74	70.5 Å²	70.5	76%	0.763	38%	0.377	S	S	*	.	S	Bend	trans	176.9	-26.4	175.3	0	0	0	0	0	117	A763	A763-G765 VanDerWaalsContact C-N 3.34Å; A763-G765 PolarHBondContact O-N 3.43Å; A763-G765 VanDerWaalsContact O-N 3.12Å
766	E	49.8	Very low	78.1	Confident	155 Å²	155	70.5 Å²	70.5	72%	0.724	38%	0.377	S	S	*	.	S	Bend	trans	-95.8	130.7	174.4	-70.3	-176.9	165.5	0	0	109.6	L768	E766-L768 PolarHBondContact O-N 3.42Å
767	R	49.4	Very low	78.1	Confident	246 Å²	246	68.4 Å²	68.4	93%	0.928	37%	0.368	S	S	*	.			trans	-64.6	75.2	170.4	-71.9	-178.3	177.1	177.4	-0.8	109.2	H769	R767-H769 PolarHBondContact O-N 3.13Å
768	L	56.3	Low	78	Confident	80 Å²	80	65.4 Å²	65.4	42%	0.419	35%	0.347	S	S	.	.			trans	-64.1	128.2	170.5	-73.3	171	0	0	0	107.8	P761 A763 E766 H770	P761-L768 HydrophobicContact CB-CD1 4.25Å; P761-L768 HydrophobicContact CG-CB 4.41Å; P761-L768 HydrophobicContact CG-CD1 3.75Å; A763-L768 HydrophobicContact CB-CD1 3.55Å; E766-L768 PolarHBondContact O-N 3.42Å; L768-H770 PolarHBondContact O-N 3.18Å
769	H	65.8	Low	77.7	Confident	182 Å²	182	64.6 Å²	64.6	84%	0.843	34%	0.342	S	S	*	.			trans	-67.4	114.9	173.6	-72.8	-74.2	0	0	0	108.9	R767 G771	R767-H769 PolarHBondContact O-N 3.13Å; H769-G771 PolarHBondContact O-N 3.44Å
770	H	83.5	Confident	77.3	Confident	95 Å²	95	64.7 Å²	64.7	44%	0.44	34%	0.342	S	S	.	.			trans	-57.6	131.3	170.5	-67.1	160.9	0	0	0	110.5	R664 H760 L768	R664-H770 WeakPolarHBondContact CD-O 3.5Å; R664-H770 HydrophobicContact CG-CB 4.21Å; H760-H770 AromaticContact CD2-CD2 3.78Å; H760-H770 AromaticContact CD2-CG 3.34Å; H760-H770 AromaticContact CD2-ND1 3.53Å; L768-H770 PolarHBondContact O-N 3.18Å
771	G	90.6	Very high	76.9	Confident	3 Å²	3	63.7 Å²	63.7	3%	0.031	34%	0.337	C	S	.	.			trans	-76.1	-171.3	174.9	0	0	0	0	0	113.2	K734 T759 H769	K734-G771 VanDerWaalsContact O-CA 3.29Å; K734-G771 WeakPolarHBondContact O-CA 3.28Å; T759-G771 PolarHBondContact O-N 3.34Å; H769-G771 PolarHBondContact O-N 3.44Å
772	I	95	Very high	76.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.336	C	S	.	.			trans	-98.3	131.9	178.2	-64.6	-58.7	0	0	0	108.8	L660 R664 I687 F691 H735 I736 T759 W774	L660-I772 HydrophobicContact CD2-CD1 4.25Å; L660-I772 HydrophobicContact CD2-CG1 4.29Å; L660-I772 HydrophobicContact CD2-CG2 4.16Å; R664-I772 CarbonylContact O-C 3.46Å; R664-I772 WeakPolarHBondContact O-CA 3.41Å; I687-I772 HydrophobicContact CD1-CB 4.33Å; I687-I772 HydrophobicContact CD1-CG2 3.74Å; I687-I772 HydrophobicContact CG1-CG2 4.28Å; F691-I772 HydrophobicContact CD2-CG1 4.3Å; F691-I772 HydrophobicContact CE2-CD1 3.84Å; F691-I772 HydrophobicContact CE2-CG1 3.42Å; F691-I772 VanDerWaalsContact CE2-CG1 3.42Å; F691-I772 HydrophobicContact CZ-CD1 3.73Å; F691-I772 HydrophobicContact CZ-CG1 3.77Å; H735-I772 CarbonylContact C-O 3.59Å; H735-I772 WeakPolarHBondContact CA-O 3.39Å; H735-I772 HydrophobicContact CB-CB 4.22Å; H735-I772 PolarHBondContact ND1-N 3.42Å; H735-I772 VanDerWaalsContact ND1-N 3.14Å; I736-I772 PolarHBondContact N-O 3.12Å; T759-I772 WeakPolarHBondContact CG2-O 3.2Å; I772-W774 HydrophobicContact CG2-CB 4.31Å; I772-W774 HydrophobicContact CG2-CD2 4.15Å; I772-W774 HydrophobicContact CG2-CG 3.66Å
773	L	96.9	Very high	76.3	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	94.6	171.4	177.9	60.8	0	0	0	109.4	R664 E665 L666 I736 L738 A755 K756 T759 L775	R664-L773 PolarHBondContact O-N 3.44Å; E665-L773 VanDerWaalsContact CA-O 3.25Å; E665-L773 WeakPolarHBondContact CA-O 3.37Å; E665-L773 HydrophobicContact CG-CD2 4.34Å; L666-L773 PolarHBondContact N-O 3.01Å; L666-L773 VanDerWaalsContact N-O 3.11Å; I736-L773 HydrophobicContact CB-CD1 4.08Å; I736-L773 HydrophobicContact CG2-CD1 4.24Å; I736-L773 WeakPolarHBondContact O-CA 3Å; L738-L773 HydrophobicContact CD1-CD1 4.01Å; L738-L773 HydrophobicContact CG-CD1 4.37Å; A755-L773 HydrophobicContact CB-CD1 3.81Å; K756-L773 HydrophobicContact CB-CD2 4.49Å; K756-L773 HydrophobicContact CG-CD2 3.62Å; T759-L773 HydrophobicContact CG2-CB 4.2Å; L773-L775 HydrophobicContact CG-CD1 4.15Å
774	W	97.8	Very high	76.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131	-177.2	-77.2	19.2	0	0	0	110.6	L656 N659 L660 T663 L666 I668 M683 I736 V737 L738 I772 F776	L656-W774 HydrophobicContact CD1-CZ3 4.4Å; L656-W774 HydrophobicContact CD2-CZ3 4.32Å; L656-W774 HydrophobicContact CG-CH2 4.4Å; L656-W774 HydrophobicContact CG-CZ3 3.91Å; N659-W774 HydrophobicContact CB-CH2 4.05Å; N659-W774 HydrophobicContact CB-CZ2 4.06Å; L660-W774 HydrophobicContact CB-CH2 4.4Å; L660-W774 HydrophobicContact CB-CZ2 4.24Å; L660-W774 HydrophobicContact CD2-CD2 4.05Å; L660-W774 HydrophobicContact CD2-CE3 4.18Å; L660-W774 HydrophobicContact CD2-CH2 3.5Å; L660-W774 HydrophobicContact CD2-CZ2 3.32Å; L660-W774 HydrophobicContact CD2-CZ3 3.94Å; L660-W774 HydrophobicContact CG-CH2 3.54Å; L660-W774 HydrophobicContact CG-CZ2 3.69Å; L660-W774 HydrophobicContact CG-CZ3 4.21Å; T663-W774 PolarHBondContact O-NE1 2.88Å; L666-W774 HydrophobicContact CB-CD2 4.23Å; L666-W774 HydrophobicContact CB-CG 4.12Å; L666-W774 HydrophobicContact CD2-CD2 4.37Å; L666-W774 HydrophobicContact CD2-CH2 4.07Å; L666-W774 HydrophobicContact CD2-CZ2 3.86Å; L666-W774 HydrophobicContact CD2-CZ3 4.4Å; L666-W774 WeakPolarHBondContact O-CA 3.48Å; I668-W774 HydrophobicContact CD1-CB 4.38Å; I668-W774 HydrophobicContact CD1-CD2 4.17Å; I668-W774 HydrophobicContact CD1-CE3 3.58Å; I668-W774 HydrophobicContact CD1-CZ3 4.09Å; M683-W774 HydrophobicContact CE-CE3 4.16Å; M683-W774 HydrophobicContact CE-CH2 3.85Å; M683-W774 HydrophobicContact CE-CZ3 3.33Å; M683-W774 HydrophobicContact CG-CE3 4.33Å; M683-W774 HydrophobicContact CG-CZ3 4.09Å; M683-W774 HydrophobicContact SD-CZ3 4.23Å; I736-W774 PolarHBondContact O-N 2.76Å; I736-W774 VanDerWaalsContact O-N 3.12Å; V737-W774 WeakPolarHBondContact CA-O 3.28Å; L738-W774 PolarHBondContact N-O 3.47Å; I772-W774 HydrophobicContact CG2-CB 4.31Å; I772-W774 HydrophobicContact CG2-CD2 4.15Å; I772-W774 HydrophobicContact CG2-CG 3.66Å; W774-F776 HydrophobicContact CB-CE2 4.44Å
775	L	97.1	Very high	76.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.4	-173.9	-55.9	94.4	0	0	0	109.6	L666 F667 I668 L738 T741 W751 Y752 L773 L790	L666-L775 PolarHBondContact O-N 2.77Å; F667-L775 HydrophobicContact CD1-CB 4.17Å; F667-L775 HydrophobicContact CD1-CD1 4.2Å; F667-L775 HydrophobicContact CD1-CD2 4.42Å; F667-L775 HydrophobicContact CE1-CB 4.48Å; F667-L775 HydrophobicContact CE1-CD1 4.03Å; F667-L775 HydrophobicContact CE1-CD2 3.91Å; F667-L775 HydrophobicContact CE1-CG 4.37Å; F667-L775 HydrophobicContact CZ-CD1 4.2Å; I668-L775 PolarHBondContact N-O 2.93Å; L738-L775 HydrophobicContact CB-CG 4.43Å; L738-L775 HydrophobicContact CD1-CD2 3.75Å; L738-L775 HydrophobicContact CD1-CG 3.97Å; T741-L775 HydrophobicContact CG2-CB 4.4Å; T741-L775 HydrophobicContact CG2-CD2 4.39Å; W751-L775 HydrophobicContact CH2-CD2 4.26Å; W751-L775 HydrophobicContact CZ3-CD2 4.14Å; Y752-L775 HydrophobicContact CD2-CD2 3.93Å; Y752-L775 HydrophobicContact CE2-CD1 4.45Å; Y752-L775 HydrophobicContact CE2-CD2 3.9Å; L773-L775 HydrophobicContact CG-CD1 4.15Å; L775-L790 HydrophobicContact CD2-CD2 4.06Å
776	F	95.8	Very high	76.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128	174	-70	-98.8	0	0	0	109	L656 I668 K676 L679 A680 M683 V737 L738 E740 T741 W774	L656-F776 HydrophobicContact CD2-CE1 4.18Å; L656-F776 HydrophobicContact CD2-CZ 4.26Å; I668-F776 HydrophobicContact CB-CD1 3.99Å; I668-F776 HydrophobicContact CB-CE1 4.15Å; I668-F776 HydrophobicContact CB-CG 4.39Å; I668-F776 HydrophobicContact CD1-CD1 4.14Å; I668-F776 HydrophobicContact CD1-CD2 4.2Å; I668-F776 HydrophobicContact CD1-CE1 3.61Å; I668-F776 HydrophobicContact CD1-CE2 3.66Å; I668-F776 HydrophobicContact CD1-CG 4.42Å; I668-F776 HydrophobicContact CD1-CZ 3.34Å; I668-F776 HydrophobicContact CG1-CE1 4.48Å; I668-F776 HydrophobicContact CG2-CD1 3.86Å; I668-F776 HydrophobicContact CG2-CE1 3.84Å; K676-F776 HydrophobicContact CD-CB 3.96Å; K676-F776 HydrophobicContact CG-CB 3.71Å; K676-F776 HydrophobicContact CG-CD1 4.14Å; K676-F776 HydrophobicContact CG-CG 4.37Å; L679-F776 HydrophobicContact CB-CE1 4Å; A680-F776 HydrophobicContact CB-CD1 4.28Å; A680-F776 HydrophobicContact CB-CD2 3.75Å; A680-F776 HydrophobicContact CB-CE1 4.39Å; A680-F776 HydrophobicContact CB-CE2 3.9Å; A680-F776 HydrophobicContact CB-CG 3.96Å; A680-F776 HydrophobicContact CB-CZ 4.21Å; M683-F776 HydrophobicContact CB-CZ 4.16Å; M683-F776 HydrophobicContact CG-CZ 3.81Å; V737-F776 HydrophobicContact CG1-CD2 4Å; V737-F776 HydrophobicContact CG1-CE2 3.87Å; L738-F776 PolarHBondContact O-N 2.79Å; E740-F776 PolarHBondContact N-O 3.12Å; T741-F776 PolarHBondContact N-O 3.28Å; T741-F776 PolarHBondContact OG1-O 3.22Å; T741-F776 VanDerWaalsContact OG1-O 3.1Å; W774-F776 HydrophobicContact CB-CE2 4.44Å
777	L	91.8	Very high	77.9	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	150.6	178.2	62.7	161.5	0	0	0	112.6	F667 I668 C670 T741 E742 L790	F667-L777 HydrophobicContact CB-CD2 4.49Å; F667-L777 HydrophobicContact CD1-CD2 4.42Å; I668-L777 WeakPolarHBondContact O-CD2 3.22Å; I668-L777 PolarHBondContact O-N 3.35Å; C670-L777 PolarHBondContact N-O 3.46Å; T741-L777 WeakPolarHBondContact OG1-CB 3.29Å; E742-L777 WeakPolarHBondContact OE2-CA 3.29Å; L777-L790 HydrophobicContact CD1-CD1 4.24Å
778	D	89.1	Confident	79	Confident	5 Å²	5	40 Å²	40	3%	0.027	22%	0.223	C	C	.	.			trans	-115.4	111.3	169	-177.9	-24.7	0	0	0	108.7	C670 P672 K676 E742 F780 Q781	C670-D778 WeakPolarHBondContact O-CA 3.35Å; C670-D778 WeakPolarHBondContact O-CB 3.42Å; P672-D778 WeakPolarHBondContact CD-OD2 3.21Å; P672-D778 WeakPolarHBondContact CG-OD2 3.33Å; K676-D778 HydrophobicContact CD-CB 4.46Å; K676-D778 VanDerWaalsContact NZ-CB 3.33Å; K676-D778 VanDerWaalsContact NZ-N 3.11Å; E742-D778 WeakPolarHBondContact CG-O 3.21Å; E742-D778 PolarHBondContact OE2-N 3.3Å; D778-F780 PolarHBondContact O-N 3.48Å; D778-F780 PolarHBondContact OD1-N 3.44Å; D778-Q781 HydrophobicContact CB-CB 4.35Å; D778-Q781 PolarHBondContact O-N 3Å; D778-Q781 PolarHBondContact OD1-N 3.43Å; D778-Q781 PolarHBondContact OD2-NE2 2.98Å
779	P	82.7	Confident	80.2	Confident	18 Å²	18	37 Å²	37	12%	0.117	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.1	-174.4	29.4	-34.3	0	0	0	114.3	T782 T835	P779-T782 PolarHBondContact O-OG1 2.5Å; P779-T835 HydrophobicContact CB-CG2 3.25Å; P779-T835 HydrophobicContact CG-CG2 4.09Å
780	F	83.1	Confident	81.1	Confident	5 Å²	5	29.8 Å²	29.8	2%	0.022	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-17.3	-179.2	-74.6	-91.1	0	0	0	113.2	L671 P672 D778 M820 I823 L836 F839 L962	L671-F780 HydrophobicContact CD2-CD2 4.04Å; L671-F780 HydrophobicContact CD2-CE2 3.85Å; P672-F780 HydrophobicContact CG-CB 4.26Å; D778-F780 PolarHBondContact O-N 3.48Å; D778-F780 PolarHBondContact OD1-N 3.44Å; F780-M820 HydrophobicContact CB-CG 4.29Å; F780-M820 HydrophobicContact CD1-CB 3.86Å; F780-M820 HydrophobicContact CD1-CG 3.64Å; F780-M820 HydrophobicContact CD1-SD 4.42Å; F780-M820 HydrophobicContact CD2-CG 4.21Å; F780-M820 HydrophobicContact CD2-SD 3.95Å; F780-M820 HydrophobicContact CE1-CB 3.75Å; F780-M820 HydrophobicContact CE1-CG 3.99Å; F780-M820 WeakPolarHBondContact CE1-O 3.24Å; F780-M820 HydrophobicContact CE2-SD 4.18Å; F780-M820 HydrophobicContact CG-CB 4.45Å; F780-M820 HydrophobicContact CG-CG 3.78Å; F780-M820 HydrophobicContact CG-SD 4.11Å; F780-M820 HydrophobicContact CZ-CB 4.3Å; F780-M820 HydrophobicContact CZ-CG 4.46Å; F780-I823 HydrophobicContact CD1-CB 4.14Å; F780-I823 HydrophobicContact CD1-CD1 4.36Å; F780-I823 HydrophobicContact CD1-CG2 3.92Å; F780-I823 HydrophobicContact CE1-CB 4.46Å; F780-I823 HydrophobicContact CE1-CG2 4.33Å; F780-L836 HydrophobicContact CD1-CD2 3.68Å; F780-L836 HydrophobicContact CE1-CD2 3.4Å; F780-L836 VanDerWaalsContact CE1-CD2 3.4Å; F780-L836 HydrophobicContact CE2-CD2 4.27Å; F780-L836 HydrophobicContact CG-CD2 4.22Å; F780-L836 HydrophobicContact CZ-CD2 3.69Å; F780-F839 HydrophobicContact CE2-CB 3.76Å; F780-F839 HydrophobicContact CE2-CG 4.38Å; F780-F839 HydrophobicContact CZ-CB 3.39Å; F780-F839 HydrophobicContact CZ-CD1 4.41Å; F780-F839 AromaticContact CZ-CG 3.94Å; F780-F839 HydrophobicContact CZ-CG 3.94Å; F780-L962 HydrophobicContact CB-CD2 3.59Å; F780-L962 HydrophobicContact CG-CD2 4.47Å
781	Q	81	Confident	81.2	Confident	14 Å²	14	26.7 Å²	26.7	7%	0.065	17%	0.168	C	C	.	.			trans	-104	25.2	-176.7	-65.8	-168	70.2	0	0	113.7	D778 R783 L962 S966	D778-Q781 HydrophobicContact CB-CB 4.35Å; D778-Q781 PolarHBondContact O-N 3Å; D778-Q781 PolarHBondContact OD1-N 3.43Å; D778-Q781 PolarHBondContact OD2-NE2 2.98Å; Q781-R783 WeakPolarHBondContact O-CG 3.27Å; Q781-R783 PolarHBondContact O-N 3.14Å; Q781-L962 HydrophobicContact CG-CD2 4.3Å; Q781-L962 HydrophobicContact CG-CG 4.43Å; Q781-S966 PolarHBondContact NE2-OG 2.86Å; Q781-S966 PolarHBondContact OE1-OG 3.3Å
782	T	71.2	Confident	80.8	Confident	54 Å²	54	29.1 Å²	29.1	33%	0.331	19%	0.188	S	C	.	.			trans	-65.3	121.1	176.7	-30	0	0	0	0	111.3	E742 P779	E742-T782 HydrophobicContact CB-CG2 4.37Å; P779-T782 PolarHBondContact O-OG1 2.5Å
783	R	63.8	Low	80	Confident	60 Å²	60	30.5 Å²	30.5	23%	0.226	20%	0.197	C	C	.	.			trans	-104	-33.5	-170.5	-64.8	-169.8	176.7	-152.6	4.7	116.4	Q781 V935 E936	Q781-R783 WeakPolarHBondContact O-CG 3.27Å; Q781-R783 PolarHBondContact O-N 3.14Å; R783-V935 PolarHBondContact NH2-O 3.49Å; R783-E936 VanDerWaalsContact NH1-CA 3.33Å
784	H	60.8	Low	79.2	Confident	87 Å²	87	34.4 Å²	34.4	40%	0.403	23%	0.225	S	C	.	.			trans	-104.1	137.5	-169.5	-65.2	-53	0	0	0	112.3	G786	H784-G786 PolarHBondContact O-N 3.11Å
785	P	52.6	Low	78.6	Confident	102 Å²	102	37.2 Å²	37.2	66%	0.662	25%	0.247	S	C	*	.	S	Bend	trans	-73.1	-6.5	171	28.8	-33.1	0	0	0	114.3	N830	P785-N830 VanDerWaalsContact CA-ND2 3.26Å; P785-N830 WeakPolarHBondContact CA-ND2 3.49Å
786	G	61.3	Low	78.2	Confident	28 Å²	28	37.6 Å²	37.6	29%	0.289	25%	0.249	S	C	.	.	S	Bend	trans	-73.7	155.5	173.5	0	0	0	0	0	112	H784 S788	H784-G786 PolarHBondContact O-N 3.11Å; G786-S788 PolarHBondContact O-N 2.8Å; G786-S788 VanDerWaalsContact O-N 3.14Å
787	A	69.8	Low	77.9	Confident	70 Å²	70	43.4 Å²	43.4	58%	0.579	28%	0.275	S	S	*	.			trans	-57.2	119.6	169.6	0	0	0	0	0	109.9	S746 G789	S746-A787 PolarHBondContact N-O 2.68Å; S746-A787 VanDerWaalsContact N-O 3.13Å; S746-A787 PolarHBondContact OG-O 3.06Å; A787-G789 PolarHBondContact O-N 3.32Å
788	S	73.3	Confident	77.9	Confident	29 Å²	29	45.8 Å²	45.8	20%	0.203	29%	0.291	C	S	.	.			trans	-64.9	-25.3	179.8	59.2	0	0	0	0	112.1	F744 W751 G786 L790	F744-S788 CarbonylContact C-O 3.49Å; F744-S788 VanDerWaalsContact O-CA 3.24Å; F744-S788 WeakPolarHBondContact O-CA 3.48Å; W751-S788 PolarHBondContact NE1-O 2.87Å; G786-S788 PolarHBondContact O-N 2.8Å; G786-S788 VanDerWaalsContact O-N 3.14Å; S788-L790 VanDerWaalsContact C-N 3.29Å; S788-L790 WeakPolarHBondContact OG-CB 3.17Å; S788-L790 PolarHBondContact OG-N 3.37Å
789	G	81.8	Confident	78	Confident	19 Å²	19	49.1 Å²	49.1	20%	0.196	30%	0.303	C	S	.	.	S	Bend	trans	86.5	-2	-170.2	0	0	0	0	0	113	A787	A787-G789 PolarHBondContact O-N 3.32Å
790	L	85.2	Confident	78.3	Confident	30 Å²	30	51.8 Å²	51.8	16%	0.157	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-67.9	144.4	168.1	-76.3	165	0	0	0	109.9	F667 W751 L775 L777 S788	F667-L790 HydrophobicContact CE1-CD2 4.17Å; W751-L790 HydrophobicContact CH2-CD2 3.7Å; W751-L790 HydrophobicContact CH2-CG 4.02Å; W751-L790 HydrophobicContact CZ2-CD2 4.25Å; W751-L790 HydrophobicContact CZ2-CG 4.04Å; L775-L790 HydrophobicContact CD2-CD2 4.06Å; L777-L790 HydrophobicContact CD1-CD1 4.24Å; S788-L790 VanDerWaalsContact C-N 3.29Å; S788-L790 WeakPolarHBondContact OG-CB 3.17Å; S788-L790 PolarHBondContact OG-N 3.37Å
791	P	85.3	Confident	78.5	Confident	29 Å²	29	54.4 Å²	54.4	19%	0.188	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-60.3	155.1	168.2	26.4	-32.4	0	0	0	110.2	F667 Y752 A795 Q796	F667-P791 HydrophobicContact CE1-CG 3.97Å; F667-P791 HydrophobicContact CZ-CG 3.63Å; Y752-P791 HydrophobicContact CE1-CG 4.01Å; Y752-P791 HydrophobicContact CE2-CG 4.39Å; P791-A795 HydrophobicContact CB-CB 4.16Å; P791-Q796 HydrophobicContact CG-CG 3.97Å; P791-Q796 PolarHBondContact O-NE2 3.17Å
792	A	81.9	Confident	78.7	Confident	55 Å²	55	54 Å²	54	46%	0.455	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-52.2	146.8	177.4	0	0	0	0	0	110.7	S794 A795 Q796	A792-S794 PolarHBondContact O-N 2.9Å; A792-A795 WeakPolarHBondContact O-CA 3.33Å; A792-A795 WeakPolarHBondContact O-CB 3.26Å; A792-A795 PolarHBondContact O-N 3.06Å; A792-Q796 PolarHBondContact O-N 2.98Å
793	P	77.5	Confident	78.7	Confident	29 Å²	29	53.9 Å²	53.9	19%	0.188	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-53.6	-29.1	-178.6	-28.9	35.3	0	0	0	114.8	A795 R799 S832 T835	P793-A795 VanDerWaalsContact C-N 3.28Å; P793-A795 PolarHBondContact O-N 2.62Å; P793-R799 PolarHBondContact O-NH1 3.05Å; P793-R799 PolarHBondContact O-NH2 3.4Å; P793-S832 WeakPolarHBondContact CG-OG 3.46Å; P793-T835 WeakPolarHBondContact CB-OG1 3.4Å; P793-T835 WeakPolarHBondContact CG-OG1 3.39Å
794	S	80.7	Confident	78.9	Confident	82 Å²	82	54.2 Å²	54.2	57%	0.573	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-70.4	-20.1	174	53.5	0	0	0	0	114	A792 F797	A792-S794 PolarHBondContact O-N 2.9Å; S794-F797 WeakPolarHBondContact O-CD2 3.48Å; S794-F797 VanDerWaalsContact O-CE2 3.3Å; S794-F797 WeakPolarHBondContact O-CE2 3.29Å
795	A	86	Confident	79.7	Confident	58 Å²	58	50.8 Å²	50.8	48%	0.479	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-102.7	0.4	178.2	0	0	0	0	0	113.7	P791 A792 P793 F797	P791-A795 HydrophobicContact CB-CB 4.16Å; A792-A795 WeakPolarHBondContact O-CA 3.33Å; A792-A795 WeakPolarHBondContact O-CB 3.26Å; A792-A795 PolarHBondContact O-N 3.06Å; P793-A795 VanDerWaalsContact C-N 3.28Å; P793-A795 PolarHBondContact O-N 2.62Å; A795-F797 VanDerWaalsContact C-N 3.29Å; A795-F797 PolarHBondContact O-N 3.02Å
796	Q	88.7	Confident	81.3	Confident	8 Å²	8	46 Å²	46	4%	0.037	29%	0.287	C	S	.	.			trans	-82.1	70.7	177.4	-68.8	173.5	11.4	0	0	110.8	F667 H669 P791 A792 R799	F667-Q796 HydrophobicContact CB-CB 4.36Å; F667-Q796 HydrophobicContact CD1-CB 3.96Å; F667-Q796 HydrophobicContact CD1-CG 3.86Å; F667-Q796 HydrophobicContact CD2-CB 4.03Å; F667-Q796 HydrophobicContact CE1-CB 4.22Å; F667-Q796 HydrophobicContact CE1-CG 3.79Å; F667-Q796 HydrophobicContact CE2-CB 4.3Å; F667-Q796 HydrophobicContact CG-CB 3.85Å; F667-Q796 HydrophobicContact CG-CG 4.28Å; F667-Q796 HydrophobicContact CZ-CB 4.38Å; F667-Q796 HydrophobicContact CZ-CG 4.15Å; H669-Q796 PolarHBondContact CE1-OE1 3.05Å; H669-Q796 PolarHBondContact NE2-OE1 3.48Å; P791-Q796 HydrophobicContact CG-CG 3.97Å; P791-Q796 PolarHBondContact O-NE2 3.17Å; A792-Q796 PolarHBondContact O-N 2.98Å; Q796-R799 WeakPolarHBondContact O-CB 3.47Å; Q796-R799 WeakPolarHBondContact O-CD 3.41Å; Q796-R799 WeakPolarHBondContact O-CG 3.34Å
797	F	88	Confident	82.5	Confident	122 Å²	122	44.6 Å²	44.6	54%	0.535	27%	0.274	S	S	.	.			trans	-133.8	143.4	177.2	-71.9	-81.9	0	0	0	111.7	S794 A795 R799	S794-F797 WeakPolarHBondContact O-CD2 3.48Å; S794-F797 VanDerWaalsContact O-CE2 3.3Å; S794-F797 WeakPolarHBondContact O-CE2 3.29Å; A795-F797 VanDerWaalsContact C-N 3.29Å; A795-F797 PolarHBondContact O-N 3.02Å; F797-R799 HydrophobicContact CD1-CG 3.9Å; F797-R799 HydrophobicContact CE1-CG 4.03Å; F797-R799 VanDerWaalsContact CE1-NE 3.3Å
798	P	92.4	Very high	83.3	Confident	57 Å²	57	41.3 Å²	41.3	37%	0.37	25%	0.246	S	C	.	.	S	Bend	cis	-71	150.3	-1.9	32.6	-36.5	0	0	0	111.7	T663 E665 L666 F667	T663-P798 HydrophobicContact CG2-CG 4.13Å; E665-P798 WeakPolarHBondContact O-CG 3.42Å; L666-P798 HydrophobicContact CD1-CB 4.25Å; L666-P798 HydrophobicContact CD1-CG 4.27Å; F667-P798 PolarHBondContact N-O 3.36Å
799	R	90.3	Very high	83.9	Confident	75 Å²	75	40 Å²	40	28%	0.283	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.7	178.3	58	176.9	151.6	-154	-3.4	112.8	F667 P793 Q796 F797	F667-R799 HydrophobicContact CB-CB 3.92Å; F667-R799 CarbonylContact O-C 3.58Å; F667-R799 WeakPolarHBondContact O-CA 3.42Å; P793-R799 PolarHBondContact O-NH1 3.05Å; P793-R799 PolarHBondContact O-NH2 3.4Å; Q796-R799 WeakPolarHBondContact O-CB 3.47Å; Q796-R799 WeakPolarHBondContact O-CD 3.41Å; Q796-R799 WeakPolarHBondContact O-CG 3.34Å; F797-R799 HydrophobicContact CD1-CG 3.9Å; F797-R799 HydrophobicContact CE1-CG 4.03Å; F797-R799 VanDerWaalsContact CE1-NE 3.3Å
800	K	89.9	Confident	84.1	Confident	74 Å²	74	40.6 Å²	40.6	32%	0.322	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.8	173.5	-174.2	154.4	-175.4	164.3	0	109.7	L656 N659 L666 F667 I668 H669 I802	L656-K800 HydrophobicContact CD1-CD 3.84Å; N659-K800 PolarHBondContact ND2-NZ 2.89Å; L666-K800 HydrophobicContact CD1-CB 4.34Å; L666-K800 HydrophobicContact CD2-CB 4.47Å; F667-K800 PolarHBondContact O-N 3.01Å; I668-K800 WeakPolarHBondContact CA-O 3.36Å; H669-K800 PolarHBondContact N-O 3.34Å; K800-I802 HydrophobicContact CG-CD1 4.4Å
801	M	87	Confident	84.3	Confident	60 Å²	60	42.1 Å²	42.1	30%	0.296	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.3	173	-157.6	167	-76.1	0	0	110.1	H669 T803 M838	H669-M801 HydrophobicContact CB-CE 4.36Å; H669-M801 HydrophobicContact CB-CG 4.3Å; M801-T803 HydrophobicContact CB-CG2 4.13Å; M801-T803 HydrophobicContact CG-CG2 3.5Å; M801-T803 HydrophobicContact SD-CG2 3.61Å; M801-M838 HydrophobicContact CE-CB 3.33Å; M801-M838 HydrophobicContact CE-CG 3.67Å; M801-M838 HydrophobicContact CE-SD 3.26Å; M801-M838 WeakPolarHBondContact CE-SD 3.4Å; M801-M838 HydrophobicContact SD-CB 4.08Å
802	I	85.3	Confident	84.6	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	93.1	173.2	-52.6	-57.8	0	0	0	106.9	E652 L656 I668 H669 T674 L679 K800	E652-I802 HydrophobicContact CG-CG2 4.37Å; E652-I802 WeakPolarHBondContact OE1-CG2 3.47Å; L656-I802 HydrophobicContact CD1-CD1 4.32Å; I668-I802 HydrophobicContact CG2-CD1 4.12Å; I668-I802 HydrophobicContact CG2-CG1 3.7Å; H669-I802 PolarHBondContact O-N 3.34Å; T674-I802 HydrophobicContact CG2-CB 4.44Å; T674-I802 HydrophobicContact CG2-CG2 3.96Å; T674-I802 WeakPolarHBondContact CG2-O 3.42Å; L679-I802 HydrophobicContact CD1-CG2 4.27Å; K800-I802 HydrophobicContact CG-CD1 4.4Å
803	T	71.2	Confident	85.1	Confident	52 Å²	52	38.1 Å²	38.1	32%	0.319	21%	0.213	S	C	.	.			trans	-111.5	-13	179.9	55.9	0	0	0	0	113.3	L671 M801 E805 A847	L671-T803 HydrophobicContact CD1-CG2 4.33Å; M801-T803 HydrophobicContact CB-CG2 4.13Å; M801-T803 HydrophobicContact CG-CG2 3.5Å; M801-T803 HydrophobicContact SD-CG2 3.61Å; T803-E805 PolarHBondContact O-N 3.43Å; T803-A847 VanDerWaalsContact O-CB 3.23Å; T803-A847 WeakPolarHBondContact O-CB 3.3Å
804	S	68.3	Low	85.7	Confident	66 Å²	66	41.3 Å²	41.3	46%	0.462	22%	0.223	S	C	.	.	S	Bend	trans	-75.7	-25	-166	35.8	0	0	0	0	114.3	E652 A847	E652-S804 PolarHBondContact OE1-OG 3.01Å; S804-A847 WeakPolarHBondContact O-CB 3.48Å
805	E	77.5	Confident	86.2	Confident	15 Å²	15	38.3 Å²	38.3	7%	0.07	20%	0.202	C	C	.	.			trans	-142.4	125.6	-163.6	-47.5	-154.5	150.8	0	0	112.9	K474 T674 T803 H807 Q851	K474-E805 IonicContact NZ-OE1 3.88Å; K474-E805 PolarHBondContact NZ-OE1 3.37Å; T674-E805 WeakPolarHBondContact CG2-O 3.33Å; T803-E805 PolarHBondContact O-N 3.43Å; E805-H807 IonicContact OE2-CE1 3.81Å; E805-H807 PolarHBondContact OE2-CE1 2.83Å; E805-H807 VanDerWaalsContact OE2-CE1 3.31Å; E805-H807 IonicContact OE2-NE2 2.73Å; E805-Q851 VanDerWaalsContact CB-NE2 3.34Å; E805-Q851 PolarHBondContact OE1-NE2 2.81Å; E805-Q851 PolarHBondContact OE2-NE2 3.19Å; E805-Q851 VanDerWaalsContact OE2-NE2 3.15Å
806	I	85.2	Confident	86.5	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.179	C	C	.	.			trans	-117.3	112.8	176.3	-57.1	-59.6	0	0	0	108.9	T674 C808 A813 M816 Y844 A847	T674-I806 HydrophobicContact CG2-CD1 4.03Å; I806-C808 PolarHBondContact O-N 3.42Å; I806-A813 HydrophobicContact CG2-CB 3.91Å; I806-M816 HydrophobicContact CG2-CE 4.16Å; I806-Y844 HydrophobicContact CD1-CD2 3.9Å; I806-Y844 HydrophobicContact CD1-CE2 3.21Å; I806-Y844 HydrophobicContact CG1-CD2 4.26Å; I806-Y844 HydrophobicContact CG1-CE2 3.76Å; I806-A847 HydrophobicContact CG1-CB 4.16Å
807	H	86.6	Confident	86.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.			trans	-98	55.5	-168.5	-55	-71	0	0	0	112.1	F645 C648 E652 G673 T674 R675 E805	F645-H807 HydrophobicContact CB-CB 4.1Å; F645-H807 VanDerWaalsContact CD1-CA 3.46Å; F645-H807 HydrophobicContact CD1-CB 3.74Å; F645-H807 AromaticContact CD1-ND1 3.94Å; F645-H807 HydrophobicContact CE1-CB 4.38Å; F645-H807 HydrophobicContact CG-CB 3.97Å; C648-H807 VanDerWaalsContact CB-CE1 3.43Å; C648-H807 WeakPolarHBondContact CB-CE1 3.43Å; E652-H807 IonicContact OE2-CE1 3.94Å; E652-H807 IonicContact OE2-NE2 3.87Å; E652-H807 PolarHBondContact OE2-NE2 2.93Å; G673-H807 PolarHBondContact O-N 3.24Å; T674-H807 PolarHBondContact O-CD2 2.89Å; R675-H807 HydrophobicContact CG-CB 3.63Å; R675-H807 PolarHBondContact NE-O 3.34Å; R675-H807 VanDerWaalsContact NE-O 3.11Å; R675-H807 PolarHBondContact NH2-O 3.22Å; E805-H807 IonicContact OE2-CE1 3.81Å; E805-H807 PolarHBondContact OE2-CE1 2.83Å; E805-H807 VanDerWaalsContact OE2-CE1 3.31Å; E805-H807 IonicContact OE2-NE2 2.73Å
808	C	87.3	Confident	86.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-150.4	175.8	175.2	70.6	0	0	0	0	111.8	F645 I806 I812 M816 V969	F645-C808 WeakPolarHBondContact CZ-O 3.26Å; I806-C808 PolarHBondContact O-N 3.42Å; C808-I812 HydrophobicContact CB-CG2 4.42Å; C808-M816 WeakPolarHBondContact SG-CE 3.49Å; C808-V969 CarbonylContact C-O 3.55Å; C808-V969 VanDerWaalsContact CA-O 3.28Å; C808-V969 WeakPolarHBondContact CA-O 3.49Å; C808-V969 WeakPolarHBondContact CB-O 3.32Å
809	A	86.4	Confident	86.5	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.008	17%	0.165	C	C	.	.			trans	-65.4	151.8	176.4	0	0	0	0	0	113.1	E811 I812 A813 L853 V969	A809-E811 VanDerWaalsContact C-N 3.27Å; A809-E811 PolarHBondContact O-N 3.11Å; A809-I812 HydrophobicContact CB-CD1 4.18Å; A809-I812 HydrophobicContact CB-CG1 4.39Å; A809-I812 PolarHBondContact O-N 3.29Å; A809-I812 VanDerWaalsContact O-N 3.08Å; A809-A813 PolarHBondContact O-N 2.61Å; A809-L853 CarbonylContact C-O 3.48Å; A809-L853 WeakPolarHBondContact CA-O 3.36Å; A809-L853 WeakPolarHBondContact CB-O 3.27Å; A809-V969 PolarHBondContact N-O 2.93Å
810	V	85.8	Confident	86.4	Confident	33 Å²	33	29.2 Å²	29.2	20%	0.2	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-36.7	-173.9	92.9	0	0	0	0	111.7	I812 A813 K814 M848 A852 L853	V810-I812 VanDerWaalsContact C-N 3.31Å; V810-I812 PolarHBondContact O-N 3.03Å; V810-A813 PolarHBondContact O-N 2.66Å; V810-K814 VanDerWaalsContact O-CG 3.29Å; V810-K814 WeakPolarHBondContact O-CG 3.28Å; V810-K814 PolarHBondContact O-N 3.08Å; V810-M848 HydrophobicContact CG2-CE 4.2Å; V810-M848 HydrophobicContact CG2-CG 3.81Å; V810-M848 HydrophobicContact CG2-SD 3.95Å; V810-A852 HydrophobicContact CB-CB 3.51Å; V810-A852 HydrophobicContact CG2-CB 3.51Å; V810-L853 PolarHBondContact N-O 3.39Å
811	E	89.2	Confident	86.3	Confident	62 Å²	62	29 Å²	29	29%	0.29	15%	0.15	S	C	.	.	H	α-helix	trans	-66.4	-35.2	179.3	-62.2	79.2	-174.4	0	0	111.4	A809 V815 G855 C857	A809-E811 VanDerWaalsContact C-N 3.27Å; A809-E811 PolarHBondContact O-N 3.11Å; E811-V815 PolarHBondContact O-N 3.49Å; E811-G855 WeakPolarHBondContact OE2-CA 3.36Å; E811-G855 PolarHBondContact OE2-N 2.96Å; E811-C857 HydrophobicContact CB-CB 3.77Å
812	I	91.9	Very high	86.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-75.5	-43.8	177.6	-60.6	172.4	0	0	0	110.2	C808 A809 V810 K814 V815 M816 A965 A968 K970 L972	C808-I812 HydrophobicContact CB-CG2 4.42Å; A809-I812 HydrophobicContact CB-CD1 4.18Å; A809-I812 HydrophobicContact CB-CG1 4.39Å; A809-I812 PolarHBondContact O-N 3.29Å; A809-I812 VanDerWaalsContact O-N 3.08Å; V810-I812 VanDerWaalsContact C-N 3.31Å; V810-I812 PolarHBondContact O-N 3.03Å; I812-K814 VanDerWaalsContact C-N 3.27Å; I812-K814 PolarHBondContact O-N 3.46Å; I812-V815 PolarHBondContact O-N 2.84Å; I812-V815 VanDerWaalsContact O-N 3.11Å; I812-M816 HydrophobicContact CG2-CE 4.29Å; I812-M816 PolarHBondContact O-N 3.24Å; I812-A965 HydrophobicContact CG2-CB 4.2Å; I812-A968 HydrophobicContact CD1-CB 3.74Å; I812-A968 HydrophobicContact CG2-CB 4.37Å; I812-K970 VanDerWaalsContact CD1-C 3.45Å; I812-L972 HydrophobicContact CD1-CB 4.08Å; I812-L972 HydrophobicContact CG1-CB 3.83Å; I812-L972 HydrophobicContact CG2-CD2 4.38Å
813	A	91.1	Very high	86.1	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-38.3	177.1	0	0	0	0	0	111.9	I806 A809 V810 M816 K817 M848	I806-A813 HydrophobicContact CG2-CB 3.91Å; A809-A813 PolarHBondContact O-N 2.61Å; V810-A813 PolarHBondContact O-N 2.66Å; A813-M816 HydrophobicContact CB-CE 4.46Å; A813-M816 PolarHBondContact O-N 2.69Å; A813-K817 WeakPolarHBondContact O-CB 3.3Å; A813-K817 PolarHBondContact O-N 3.41Å; A813-M848 HydrophobicContact CB-CB 4.3Å; A813-M848 HydrophobicContact CB-CG 3.5Å; A813-M848 HydrophobicContact CB-SD 3.49Å; A813-M848 WeakPolarHBondContact CB-SD 3.25Å
814	K	90.9	Very high	86.5	Confident	95 Å²	95	33.2 Å²	33.2	41%	0.413	16%	0.16	S	C	.	.	H	α-helix	trans	-59.2	-45.6	172.4	-76.1	173.7	-177.1	179.4	0	112.3	V810 I812 M816 K817 D818 M848	V810-K814 VanDerWaalsContact O-CG 3.29Å; V810-K814 WeakPolarHBondContact O-CG 3.28Å; V810-K814 PolarHBondContact O-N 3.08Å; I812-K814 VanDerWaalsContact C-N 3.27Å; I812-K814 PolarHBondContact O-N 3.46Å; K814-M816 PolarHBondContact O-N 3.44Å; K814-K817 WeakPolarHBondContact O-CB 3.3Å; K814-K817 PolarHBondContact O-N 3.03Å; K814-D818 VanDerWaalsContact O-CG 3.25Å; K814-D818 PolarHBondContact O-N 2.96Å; K814-M848 HydrophobicContact CG-CE 4.08Å; K814-M848 HydrophobicContact CG-SD 3.79Å
815	V	91.4	Very high	87.2	Confident	19 Å²	19	35.7 Å²	35.7	12%	0.115	16%	0.164	C	C	.	.	H	α-helix	trans	-62	-43.7	175.5	173	0	0	0	0	111.3	E811 I812 K817 D818 E819 C857 A965 L972 L974	E811-V815 PolarHBondContact O-N 3.49Å; I812-V815 PolarHBondContact O-N 2.84Å; I812-V815 VanDerWaalsContact O-N 3.11Å; V815-K817 VanDerWaalsContact C-N 3.33Å; V815-K817 PolarHBondContact O-N 3.46Å; V815-D818 PolarHBondContact O-N 3.25Å; V815-E819 HydrophobicContact CG1-CG 4.32Å; V815-E819 WeakPolarHBondContact O-CB 3.14Å; V815-E819 WeakPolarHBondContact O-CG 3.4Å; V815-E819 PolarHBondContact O-N 2.87Å; V815-C857 VanDerWaalsContact CG2-SG 3.52Å; V815-A965 HydrophobicContact CG1-CB 4.34Å; V815-L972 HydrophobicContact CG1-CD2 4.48Å; V815-L974 HydrophobicContact CG1-CD1 4.38Å
816	M	91.5	Very high	87.2	Confident	1 Å²	1	41 Å²	41	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-42	176.7	-68.1	-168.6	-68.3	0	0	112	P672 I806 C808 I812 A813 K814 E819 M820 L962 A965	P672-M816 HydrophobicContact CB-CG 4.45Å; P672-M816 HydrophobicContact CB-SD 3.7Å; I806-M816 HydrophobicContact CG2-CE 4.16Å; C808-M816 WeakPolarHBondContact SG-CE 3.49Å; I812-M816 HydrophobicContact CG2-CE 4.29Å; I812-M816 PolarHBondContact O-N 3.24Å; A813-M816 HydrophobicContact CB-CE 4.46Å; A813-M816 PolarHBondContact O-N 2.69Å; K814-M816 PolarHBondContact O-N 3.44Å; M816-E819 PolarHBondContact O-N 2.88Å; M816-M820 WeakPolarHBondContact O-CB 3.22Å; M816-M820 WeakPolarHBondContact O-CE 3.28Å; M816-M820 VanDerWaalsContact O-CG 3.29Å; M816-M820 WeakPolarHBondContact O-CG 3.47Å; M816-M820 PolarHBondContact O-N 3.45Å; M816-L962 HydrophobicContact CB-CD1 3.81Å; M816-L962 HydrophobicContact CG-CD1 3.91Å; M816-A965 HydrophobicContact CG-CB 3.54Å; M816-A965 HydrophobicContact SD-CB 4.33Å
817	K	91.1	Very high	86.6	Confident	36 Å²	36	43.9 Å²	43.9	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-51	175.6	-169.3	-172.4	66.6	173	0	111.6	A813 K814 V815 E819 M820 K821 F839 Y844 E845	A813-K817 WeakPolarHBondContact O-CB 3.3Å; A813-K817 PolarHBondContact O-N 3.41Å; K814-K817 WeakPolarHBondContact O-CB 3.3Å; K814-K817 PolarHBondContact O-N 3.03Å; V815-K817 VanDerWaalsContact C-N 3.33Å; V815-K817 PolarHBondContact O-N 3.46Å; K817-E819 VanDerWaalsContact C-N 3.33Å; K817-E819 PolarHBondContact O-N 3.31Å; K817-M820 PolarHBondContact O-N 3.31Å; K817-K821 WeakPolarHBondContact O-CB 3.3Å; K817-K821 PolarHBondContact O-N 2.83Å; K817-F839 HydrophobicContact CG-CZ 4.03Å; K817-Y844 HydrophobicContact CB-CD1 3.94Å; K817-Y844 HydrophobicContact CB-CE1 3.75Å; K817-Y844 HydrophobicContact CD-CD1 4.22Å; K817-Y844 HydrophobicContact CG-CD1 3.87Å; K817-Y844 HydrophobicContact CG-CE1 4.23Å; K817-E845 VanDerWaalsContact CD-OE2 3.26Å; K817-E845 WeakPolarHBondContact CD-OE2 3.45Å; K817-E845 WeakPolarHBondContact CE-OE2 3.45Å; K817-E845 IonicContact NZ-OE1 2.8Å; K817-E845 IonicContact NZ-OE2 3.96Å; K817-E845 PolarHBondContact NZ-OE2 3.36Å
818	D	90.6	Very high	85.6	Confident	79 Å²	79	45.6 Å²	45.6	42%	0.422	22%	0.223	S	C	.	.	H	α-helix	trans	-64.7	-38.3	-177.5	-66.3	-15.1	0	0	0	111.4	K814 V815 R822	K814-D818 VanDerWaalsContact O-CG 3.25Å; K814-D818 PolarHBondContact O-N 2.96Å; V815-D818 PolarHBondContact O-N 3.25Å; D818-R822 VanDerWaalsContact O-CG 3.32Å; D818-R822 WeakPolarHBondContact O-CG 3.31Å; D818-R822 PolarHBondContact O-N 3.44Å
819	E	88.4	Confident	84.4	Confident	13 Å²	13	50.7 Å²	50.7	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-72.1	-38.6	176.2	-67.8	-60.6	138.6	0	0	112.5	V815 M816 K817 K821 R822 I823 K961 L962	V815-E819 HydrophobicContact CG1-CG 4.32Å; V815-E819 WeakPolarHBondContact O-CB 3.14Å; V815-E819 WeakPolarHBondContact O-CG 3.4Å; V815-E819 PolarHBondContact O-N 2.87Å; M816-E819 PolarHBondContact O-N 2.88Å; K817-E819 VanDerWaalsContact C-N 3.33Å; K817-E819 PolarHBondContact O-N 3.31Å; E819-K821 VanDerWaalsContact C-N 3.33Å; E819-K821 PolarHBondContact O-N 3.06Å; E819-R822 PolarHBondContact O-N 3.28Å; E819-R822 IonicContact OE1-CZ 2.79Å; E819-R822 IonicContact OE1-NE 3.92Å; E819-R822 IonicContact OE1-NH1 3.75Å; E819-R822 PolarHBondContact OE1-NH1 2.75Å; E819-I823 VanDerWaalsContact O-CG1 3.28Å; E819-I823 WeakPolarHBondContact O-CG1 2.89Å; E819-I823 PolarHBondContact O-N 2.85Å; E819-K961 HydrophobicContact CG-CB 3.85Å; E819-L962 HydrophobicContact CB-CB 4.09Å; E819-L962 HydrophobicContact CB-CD1 4.31Å
820	M	88.3	Confident	83	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-40.9	172.3	-75.3	-172.7	-67.5	0	0	111.9	L671 P672 F780 M816 K817 I823 Q824 F839 Y844 L962	L671-M820 HydrophobicContact CD2-SD 4.35Å; P672-M820 VanDerWaalsContact CD-SD 3.58Å; P672-M820 HydrophobicContact CG-CG 4.3Å; P672-M820 HydrophobicContact CG-SD 3.83Å; F780-M820 HydrophobicContact CB-CG 4.29Å; F780-M820 HydrophobicContact CD1-CB 3.86Å; F780-M820 HydrophobicContact CD1-CG 3.64Å; F780-M820 HydrophobicContact CD1-SD 4.42Å; F780-M820 HydrophobicContact CD2-CG 4.21Å; F780-M820 HydrophobicContact CD2-SD 3.95Å; F780-M820 HydrophobicContact CE1-CB 3.75Å; F780-M820 HydrophobicContact CE1-CG 3.99Å; F780-M820 WeakPolarHBondContact CE1-O 3.24Å; F780-M820 HydrophobicContact CE2-SD 4.18Å; F780-M820 HydrophobicContact CG-CB 4.45Å; F780-M820 HydrophobicContact CG-CG 3.78Å; F780-M820 HydrophobicContact CG-SD 4.11Å; F780-M820 HydrophobicContact CZ-CB 4.3Å; F780-M820 HydrophobicContact CZ-CG 4.46Å; M816-M820 WeakPolarHBondContact O-CB 3.22Å; M816-M820 WeakPolarHBondContact O-CE 3.28Å; M816-M820 VanDerWaalsContact O-CG 3.29Å; M816-M820 WeakPolarHBondContact O-CG 3.47Å; M816-M820 PolarHBondContact O-N 3.45Å; K817-M820 PolarHBondContact O-N 3.31Å; M820-I823 PolarHBondContact O-N 3.5Å; M820-Q824 WeakPolarHBondContact O-CB 3.11Å; M820-Q824 PolarHBondContact O-N 3.08Å; M820-F839 HydrophobicContact CB-CD1 4.4Å; M820-F839 HydrophobicContact CB-CE1 4.16Å; M820-F839 HydrophobicContact CB-CE2 4.43Å; M820-F839 HydrophobicContact CB-CZ 4.18Å; M820-F839 HydrophobicContact CE-CD2 4.12Å; M820-F839 HydrophobicContact CE-CE2 3.5Å; M820-F839 HydrophobicContact CE-CZ 3.98Å; M820-F839 HydrophobicContact SD-CD2 4.12Å; M820-F839 HydrophobicContact SD-CE2 4.09Å; M820-Y844 HydrophobicContact CE-CD1 4.45Å; M820-Y844 HydrophobicContact CE-CD2 3.9Å; M820-Y844 HydrophobicContact CE-CE1 4.04Å; M820-Y844 HydrophobicContact CE-CE2 3.4Å; M820-Y844 VanDerWaalsContact CE-CE2 3.4Å; M820-Y844 HydrophobicContact CE-CG 4.38Å; M820-Y844 VanDerWaalsContact CE-CZ 3.48Å; M820-L962 HydrophobicContact CG-CD1 4.04Å; M820-L962 HydrophobicContact CG-CD2 3.95Å
821	K	88	Confident	81.5	Confident	70 Å²	70	53.7 Å²	53.7	30%	0.304	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-47.7	173.5	-175.8	-167.9	-175.2	111.9	0	111.4	K817 E819 I823 Q824 E825 E841	K817-K821 WeakPolarHBondContact O-CB 3.3Å; K817-K821 PolarHBondContact O-N 2.83Å; E819-K821 VanDerWaalsContact C-N 3.33Å; E819-K821 PolarHBondContact O-N 3.06Å; K821-I823 VanDerWaalsContact C-N 3.29Å; K821-I823 PolarHBondContact O-N 3.45Å; K821-Q824 WeakPolarHBondContact O-CB 3.45Å; K821-Q824 PolarHBondContact O-N 3.26Å; K821-Q824 VanDerWaalsContact O-N 3.08Å; K821-E825 WeakPolarHBondContact CE-OE1 3.12Å; K821-E825 WeakPolarHBondContact O-CG 2.98Å; K821-E825 PolarHBondContact O-N 2.92Å; K821-E841 VanDerWaalsContact CD-OE1 3.27Å; K821-E841 WeakPolarHBondContact CD-OE1 3.42Å; K821-E841 WeakPolarHBondContact CE-OE1 3.35Å; K821-E841 WeakPolarHBondContact CG-OE1 3.2Å; K821-E841 IonicContact NZ-OE1 3.11Å; K821-E841 PolarHBondContact NZ-OE1 2.97Å; K821-E841 IonicContact NZ-OE2 2.7Å
822	R	85.3	Confident	80.2	Confident	133 Å²	133	52.3 Å²	52.3	50%	0.502	28%	0.276	S	S	.	.	H	α-helix	trans	-58.2	-40.7	176.4	-75.6	171.3	177.5	-171.3	-5	112.6	D818 E819 E825 N826	D818-R822 VanDerWaalsContact O-CG 3.32Å; D818-R822 WeakPolarHBondContact O-CG 3.31Å; D818-R822 PolarHBondContact O-N 3.44Å; E819-R822 PolarHBondContact O-N 3.28Å; E819-R822 IonicContact OE1-CZ 2.79Å; E819-R822 IonicContact OE1-NE 3.92Å; E819-R822 IonicContact OE1-NH1 3.75Å; E819-R822 PolarHBondContact OE1-NH1 2.75Å; R822-E825 PolarHBondContact O-N 3.19Å; R822-N826 PolarHBondContact O-N 3.11Å
823	I	81.6	Confident	78.7	Confident	10 Å²	10	56.8 Å²	56.8	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-68.4	-36	176.3	-67.1	164.9	0	0	0	111	F780 E819 M820 K821 N826 P827 L836 V959 L962	F780-I823 HydrophobicContact CD1-CB 4.14Å; F780-I823 HydrophobicContact CD1-CD1 4.36Å; F780-I823 HydrophobicContact CD1-CG2 3.92Å; F780-I823 HydrophobicContact CE1-CB 4.46Å; F780-I823 HydrophobicContact CE1-CG2 4.33Å; E819-I823 VanDerWaalsContact O-CG1 3.28Å; E819-I823 WeakPolarHBondContact O-CG1 2.89Å; E819-I823 PolarHBondContact O-N 2.85Å; M820-I823 PolarHBondContact O-N 3.5Å; K821-I823 VanDerWaalsContact C-N 3.29Å; K821-I823 PolarHBondContact O-N 3.45Å; I823-N826 CarbonylContact O-C 3.35Å; I823-P827 WeakPolarHBondContact O-CA 3.32Å; I823-L836 HydrophobicContact CG2-CD1 4.31Å; I823-L836 HydrophobicContact CG2-CD2 4.01Å; I823-V959 HydrophobicContact CD1-CG2 4.22Å; I823-L962 HydrophobicContact CD1-CD2 3.68Å
824	Q	80.9	Confident	77.4	Confident	64 Å²	64	62 Å²	62	30%	0.299	33%	0.332	S	S	.	.	H	α-helix	trans	-67.8	-38.4	176.1	-169.7	179.8	46.2	0	0	111.9	M820 K821 L836 F839	M820-Q824 WeakPolarHBondContact O-CB 3.11Å; M820-Q824 PolarHBondContact O-N 3.08Å; K821-Q824 WeakPolarHBondContact O-CB 3.45Å; K821-Q824 PolarHBondContact O-N 3.26Å; K821-Q824 VanDerWaalsContact O-N 3.08Å; Q824-L836 HydrophobicContact CG-CB 4.48Å; Q824-L836 PolarHBondContact NE2-O 3.28Å; Q824-F839 PolarHBondContact NE2-O 2.89Å; Q824-F839 VanDerWaalsContact NE2-O 3.14Å
825	E	82.2	Confident	76.2	Confident	118 Å²	118	58 Å²	58	55%	0.551	32%	0.316	S	S	*	.	H	α-helix	trans	-73.2	-36.2	176.8	-70.1	172.5	178.2	0	0	112.5	K821 R822	K821-E825 WeakPolarHBondContact CE-OE1 3.12Å; K821-E825 WeakPolarHBondContact O-CG 2.98Å; K821-E825 PolarHBondContact O-N 2.92Å; R822-E825 PolarHBondContact O-N 3.19Å
826	N	77.3	Confident	75.1	Confident	126 Å²	126	57.5 Å²	57.5	67%	0.674	31%	0.313	S	S	*	.	S	Bend	trans	-128.1	74.3	179	-63.1	-69.4	0	0	0	110.6	R822 I823	R822-N826 PolarHBondContact O-N 3.11Å; I823-N826 CarbonylContact O-C 3.35Å
827	P	72.8	Confident	74.1	Confident	61 Å²	61	60.6 Å²	60.6	40%	0.396	34%	0.339	S	S	.	.			trans	-61.8	136.1	-177.3	23	-32.4	0	0	0	111.1	I823 L836	I823-P827 WeakPolarHBondContact O-CA 3.32Å; P827-L836 HydrophobicContact CB-CD1 3.59Å
828	P	66.1	Low	73.1	Confident	36 Å²	36	60.9 Å²	60.9	23%	0.234	34%	0.341	C	S	.	.			trans	-60	159.9	172.1	25.6	-32.8	0	0	0	109.8	N830 G831	P828-N830 PolarHBondContact O-N 2.79Å; P828-G831 PolarHBondContact O-N 2.95Å
829	S	62.2	Low	72.6	Confident	107 Å²	107	57.4 Å²	57.4	75%	0.748	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-19.7	-175.9	52.4	0	0	0	0	115.1
830	N	56.2	Low	72.3	Confident	76 Å²	76	62.8 Å²	62.8	41%	0.406	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-5.8	178.9	-46	-51.3	0	0	0	113.9	P785 P828 S832	P785-N830 VanDerWaalsContact CA-ND2 3.26Å; P785-N830 WeakPolarHBondContact CA-ND2 3.49Å; P828-N830 PolarHBondContact O-N 2.79Å; N830-S832 PolarHBondContact O-N 3.08Å
831	G	55.3	Low	72.1	Confident	21 Å²	21	66.2 Å²	66.2	22%	0.216	36%	0.363	C	S	.	.			trans	-74.2	114	-178.7	0	0	0	0	0	110.4	P828	P828-G831 PolarHBondContact O-N 2.95Å
832	S	60.6	Low	71.8	Confident	34 Å²	34	67.7 Å²	67.7	24%	0.238	38%	0.378	C	S	.	.			trans	-67.7	129	168.6	65.4	0	0	0	0	109.1	P793 N830 D834 T835 L836	P793-S832 WeakPolarHBondContact CG-OG 3.46Å; N830-S832 PolarHBondContact O-N 3.08Å; S832-D834 PolarHBondContact O-N 3.02Å; S832-T835 PolarHBondContact O-N 2.87Å; S832-T835 VanDerWaalsContact OG-CB 3.24Å; S832-T835 WeakPolarHBondContact OG-CB 3.31Å; S832-T835 PolarHBondContact OG-N 3.08Å; S832-T835 PolarHBondContact OG-OG1 2.9Å; S832-L836 PolarHBondContact O-N 2.87Å
833	P	61.5	Low	71.6	Confident	94 Å²	94	63.2 Å²	63.2	61%	0.61	37%	0.367	S	S	*	.	H	α-helix	trans	-53.7	-39.1	174.8	-25.1	33.4	0	0	0	112.1	T835 L836 A837	P833-T835 VanDerWaalsContact C-N 3.33Å; P833-T835 PolarHBondContact O-N 2.52Å; P833-L836 PolarHBondContact O-N 3.08Å; P833-A837 VanDerWaalsContact O-CB 3.3Å; P833-A837 WeakPolarHBondContact O-CB 3.24Å; P833-A837 PolarHBondContact O-N 2.96Å
834	D	64.5	Low	71.7	Confident	108 Å²	108	62.8 Å²	62.8	58%	0.578	36%	0.364	S	S	*	.	H	α-helix	trans	-59.7	-37.9	-178.1	-64.2	-12	0	0	0	113.7	S832	S832-D834 PolarHBondContact O-N 3.02Å
835	T	64.4	Low	71.7	Confident	12 Å²	12	62.8 Å²	62.8	7%	0.074	36%	0.364	C	S	.	.	H	α-helix	trans	-78.5	-33.9	-179.3	-45.9	0	0	0	0	111.6	P779 P793 S832 P833 M838	P779-T835 HydrophobicContact CB-CG2 3.25Å; P779-T835 HydrophobicContact CG-CG2 4.09Å; P793-T835 WeakPolarHBondContact CB-OG1 3.4Å; P793-T835 WeakPolarHBondContact CG-OG1 3.39Å; S832-T835 PolarHBondContact O-N 2.87Å; S832-T835 VanDerWaalsContact OG-CB 3.24Å; S832-T835 WeakPolarHBondContact OG-CB 3.31Å; S832-T835 PolarHBondContact OG-N 3.08Å; S832-T835 PolarHBondContact OG-OG1 2.9Å; P833-T835 VanDerWaalsContact C-N 3.33Å; P833-T835 PolarHBondContact O-N 2.52Å; T835-M838 HydrophobicContact CG2-SD 4.32Å; T835-M838 WeakPolarHBondContact O-CB 3.3Å; T835-M838 WeakPolarHBondContact O-CG 3.21Å; T835-M838 PolarHBondContact O-N 3.11Å
836	L	68.1	Low	71.5	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.042	36%	0.364	C	S	.	.	H	α-helix	trans	-77.2	-29.9	177.8	-64.4	172.6	0	0	0	112	F780 I823 Q824 P827 S832 P833 M838 F839	F780-L836 HydrophobicContact CD1-CD2 3.68Å; F780-L836 HydrophobicContact CE1-CD2 3.4Å; F780-L836 VanDerWaalsContact CE1-CD2 3.4Å; F780-L836 HydrophobicContact CE2-CD2 4.27Å; F780-L836 HydrophobicContact CG-CD2 4.22Å; F780-L836 HydrophobicContact CZ-CD2 3.69Å; I823-L836 HydrophobicContact CG2-CD1 4.31Å; I823-L836 HydrophobicContact CG2-CD2 4.01Å; Q824-L836 HydrophobicContact CG-CB 4.48Å; Q824-L836 PolarHBondContact NE2-O 3.28Å; P827-L836 HydrophobicContact CB-CD1 3.59Å; S832-L836 PolarHBondContact O-N 2.87Å; P833-L836 PolarHBondContact O-N 3.08Å; L836-M838 PolarHBondContact O-N 2.95Å; L836-M838 VanDerWaalsContact O-N 3.1Å; L836-F839 PolarHBondContact O-N 2.8Å; L836-F839 VanDerWaalsContact O-N 3.15Å
837	A	71.5	Confident	71.6	Confident	67 Å²	67	57 Å²	57	55%	0.554	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.1	173	0	0	0	0	0	113.3	P833 F839	P833-A837 VanDerWaalsContact O-CB 3.3Å; P833-A837 WeakPolarHBondContact O-CB 3.24Å; P833-A837 PolarHBondContact O-N 2.96Å; A837-F839 VanDerWaalsContact C-N 3.34Å
838	M	70	Confident	72	Confident	42 Å²	42	54.1 Å²	54.1	21%	0.207	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.8	176.2	-62.7	-179.5	-173.6	0	0	113.7	M801 T835 L836 Q840	M801-M838 HydrophobicContact CE-CB 3.33Å; M801-M838 HydrophobicContact CE-CG 3.67Å; M801-M838 HydrophobicContact CE-SD 3.26Å; M801-M838 WeakPolarHBondContact CE-SD 3.4Å; M801-M838 HydrophobicContact SD-CB 4.08Å; T835-M838 HydrophobicContact CG2-SD 4.32Å; T835-M838 WeakPolarHBondContact O-CB 3.3Å; T835-M838 WeakPolarHBondContact O-CG 3.21Å; T835-M838 PolarHBondContact O-N 3.11Å; L836-M838 PolarHBondContact O-N 2.95Å; L836-M838 VanDerWaalsContact O-N 3.1Å; M838-Q840 PolarHBondContact O-N 2.89Å
839	F	79.6	Confident	72.1	Confident	5 Å²	5	55.5 Å²	55.5	2%	0.022	33%	0.325	C	S	.	.			trans	-73.2	121.2	175.2	172.9	-110.1	0	0	0	110.1	L671 F780 K817 M820 Q824 L836 A837 E841 Y844	L671-F839 HydrophobicContact CD1-CD2 4.21Å; F780-F839 HydrophobicContact CE2-CB 3.76Å; F780-F839 HydrophobicContact CE2-CG 4.38Å; F780-F839 HydrophobicContact CZ-CB 3.39Å; F780-F839 HydrophobicContact CZ-CD1 4.41Å; F780-F839 AromaticContact CZ-CG 3.94Å; F780-F839 HydrophobicContact CZ-CG 3.94Å; K817-F839 HydrophobicContact CG-CZ 4.03Å; M820-F839 HydrophobicContact CB-CD1 4.4Å; M820-F839 HydrophobicContact CB-CE1 4.16Å; M820-F839 HydrophobicContact CB-CE2 4.43Å; M820-F839 HydrophobicContact CB-CZ 4.18Å; M820-F839 HydrophobicContact CE-CD2 4.12Å; M820-F839 HydrophobicContact CE-CE2 3.5Å; M820-F839 HydrophobicContact CE-CZ 3.98Å; M820-F839 HydrophobicContact SD-CD2 4.12Å; M820-F839 HydrophobicContact SD-CE2 4.09Å; Q824-F839 PolarHBondContact NE2-O 2.89Å; Q824-F839 VanDerWaalsContact NE2-O 3.14Å; L836-F839 PolarHBondContact O-N 2.8Å; L836-F839 VanDerWaalsContact O-N 3.15Å; A837-F839 VanDerWaalsContact C-N 3.34Å; F839-E841 HydrophobicContact CE1-CG 3.84Å; F839-E841 HydrophobicContact CZ-CG 4.17Å; F839-Y844 HydrophobicContact CE2-CD1 4.38Å; F839-Y844 AromaticContact CE2-CD2 3.87Å; F839-Y844 HydrophobicContact CE2-CD2 3.87Å; F839-Y844 AromaticContact CE2-CG 3.72Å; F839-Y844 HydrophobicContact CE2-CG 3.72Å; F839-Y844 HydrophobicContact CZ-CG 4.43Å
840	Q	83.2	Confident	72.4	Confident	126 Å²	126	51.5 Å²	51.5	59%	0.589	30%	0.299	S	S	*	.			trans	-116.3	126.2	173.4	-63.6	-179.8	8.5	0	0	108.3	M838 V842 P843 Y844	M838-Q840 PolarHBondContact O-N 2.89Å; Q840-V842 VanDerWaalsContact C-N 3.33Å; Q840-V842 PolarHBondContact O-N 3.45Å; Q840-P843 HydrophobicContact CB-CG 3.87Å; Q840-P843 WeakPolarHBondContact O-CD 2.98Å; Q840-Y844 PolarHBondContact O-N 3.41Å
841	E	83.1	Confident	72.9	Confident	72 Å²	72	47.9 Å²	47.9	34%	0.336	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-39.6	-176.9	-69.7	-173.8	-174.3	0	0	112.3	K821 F839 Y844 E845	K821-E841 VanDerWaalsContact CD-OE1 3.27Å; K821-E841 WeakPolarHBondContact CD-OE1 3.42Å; K821-E841 WeakPolarHBondContact CE-OE1 3.35Å; K821-E841 WeakPolarHBondContact CG-OE1 3.2Å; K821-E841 IonicContact NZ-OE1 3.11Å; K821-E841 PolarHBondContact NZ-OE1 2.97Å; K821-E841 IonicContact NZ-OE2 2.7Å; F839-E841 HydrophobicContact CE1-CG 3.84Å; F839-E841 HydrophobicContact CZ-CG 4.17Å; E841-Y844 PolarHBondContact O-N 2.75Å; E841-E845 WeakPolarHBondContact O-CB 3.31Å; E841-E845 PolarHBondContact O-N 2.98Å
842	V	81.7	Confident	73.3	Confident	101 Å²	101	47.1 Å²	47.1	61%	0.612	27%	0.271	S	S	*	.	H	α-helix	trans	-63.7	-54.1	-174.9	175	0	0	0	0	111.8	Q840 Y844 E845 E846	Q840-V842 VanDerWaalsContact C-N 3.33Å; Q840-V842 PolarHBondContact O-N 3.45Å; V842-Y844 VanDerWaalsContact C-N 3.26Å; V842-Y844 PolarHBondContact O-N 2.89Å; V842-E845 PolarHBondContact O-N 3.29Å; V842-E846 WeakPolarHBondContact O-CG 3.4Å; V842-E846 PolarHBondContact O-N 3.31Å
843	P	80.5	Confident	73.8	Confident	40 Å²	40	45.7 Å²	45.7	26%	0.26	26%	0.261	S	S	.	.	H	α-helix	trans	-58.8	-35	174.7	-25.5	34.6	0	0	0	113.8	Q840 A847	Q840-P843 HydrophobicContact CB-CG 3.87Å; Q840-P843 WeakPolarHBondContact O-CD 2.98Å; P843-A847 WeakPolarHBondContact O-CB 3.49Å; P843-A847 PolarHBondContact O-N 3.24Å
844	Y	83.8	Confident	74.4	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-68.8	-42.9	177.7	-169.6	-89.1	0	0	0	112.1	L671 P672 I806 K817 M820 F839 Q840 E841 V842 E846 A847 M848	L671-Y844 HydrophobicContact CB-CE2 4.39Å; L671-Y844 HydrophobicContact CD1-CD2 3.81Å; L671-Y844 HydrophobicContact CD1-CE2 4.3Å; P672-Y844 PolarHBondContact O-OH 3.28Å; I806-Y844 HydrophobicContact CD1-CD2 3.9Å; I806-Y844 HydrophobicContact CD1-CE2 3.21Å; I806-Y844 HydrophobicContact CG1-CD2 4.26Å; I806-Y844 HydrophobicContact CG1-CE2 3.76Å; K817-Y844 HydrophobicContact CB-CD1 3.94Å; K817-Y844 HydrophobicContact CB-CE1 3.75Å; K817-Y844 HydrophobicContact CD-CD1 4.22Å; K817-Y844 HydrophobicContact CG-CD1 3.87Å; K817-Y844 HydrophobicContact CG-CE1 4.23Å; M820-Y844 HydrophobicContact CE-CD1 4.45Å; M820-Y844 HydrophobicContact CE-CD2 3.9Å; M820-Y844 HydrophobicContact CE-CE1 4.04Å; M820-Y844 HydrophobicContact CE-CE2 3.4Å; M820-Y844 VanDerWaalsContact CE-CE2 3.4Å; M820-Y844 HydrophobicContact CE-CG 4.38Å; M820-Y844 VanDerWaalsContact CE-CZ 3.48Å; F839-Y844 HydrophobicContact CE2-CD1 4.38Å; F839-Y844 AromaticContact CE2-CD2 3.87Å; F839-Y844 HydrophobicContact CE2-CD2 3.87Å; F839-Y844 AromaticContact CE2-CG 3.72Å; F839-Y844 HydrophobicContact CE2-CG 3.72Å; F839-Y844 HydrophobicContact CZ-CG 4.43Å; Q840-Y844 PolarHBondContact O-N 3.41Å; E841-Y844 PolarHBondContact O-N 2.75Å; V842-Y844 VanDerWaalsContact C-N 3.26Å; V842-Y844 PolarHBondContact O-N 2.89Å; Y844-E846 VanDerWaalsContact C-N 3.31Å; Y844-E846 PolarHBondContact O-N 3.2Å; Y844-A847 PolarHBondContact O-N 3.41Å; Y844-M848 VanDerWaalsContact O-CB 3.28Å; Y844-M848 WeakPolarHBondContact O-CB 3.29Å; Y844-M848 PolarHBondContact O-N 3.21Å
845	E	82.3	Confident	75.1	Confident	64 Å²	64	38.8 Å²	38.8	30%	0.299	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-40.6	176.1	-169.2	73.3	-170	0	0	110.9	K817 E841 V842 M848 C849	K817-E845 VanDerWaalsContact CD-OE2 3.26Å; K817-E845 WeakPolarHBondContact CD-OE2 3.45Å; K817-E845 WeakPolarHBondContact CE-OE2 3.45Å; K817-E845 IonicContact NZ-OE1 2.8Å; K817-E845 IonicContact NZ-OE2 3.96Å; K817-E845 PolarHBondContact NZ-OE2 3.36Å; E841-E845 WeakPolarHBondContact O-CB 3.31Å; E841-E845 PolarHBondContact O-N 2.98Å; V842-E845 PolarHBondContact O-N 3.29Å; E845-M848 HydrophobicContact CG-CE 4.28Å; E845-M848 PolarHBondContact O-N 2.8Å; E845-M848 WeakPolarHBondContact OE1-CE 3.44Å; E845-M848 VanDerWaalsContact OE2-CE 3.24Å; E845-M848 WeakPolarHBondContact OE2-CE 3.19Å; E845-C849 WeakPolarHBondContact O-CB 3.45Å; E845-C849 PolarHBondContact O-N 2.93Å; E845-C849 PolarHBondContact O-SG 3.12Å
846	E	78	Confident	76.1	Confident	116 Å²	116	39.4 Å²	39.4	54%	0.542	23%	0.228	S	C	.	.	H	α-helix	trans	-62.7	-48.6	174.3	-72.5	177.4	173	0	0	111.5	V842 Y844 M848 C849 A850	V842-E846 WeakPolarHBondContact O-CG 3.4Å; V842-E846 PolarHBondContact O-N 3.31Å; Y844-E846 VanDerWaalsContact C-N 3.31Å; Y844-E846 PolarHBondContact O-N 3.2Å; E846-M848 VanDerWaalsContact C-N 3.33Å; E846-M848 PolarHBondContact O-N 2.85Å; E846-C849 PolarHBondContact O-N 3.24Å; E846-A850 VanDerWaalsContact O-CB 3.28Å; E846-A850 WeakPolarHBondContact O-CB 3.39Å; E846-A850 PolarHBondContact O-N 3.27Å
847	A	78.7	Confident	77.3	Confident	6 Å²	6	40.7 Å²	40.7	5%	0.05	24%	0.237	C	C	.	.	H	α-helix	trans	-61.1	-41.2	176.9	0	0	0	0	0	112.3	T803 S804 I806 P843 Y844 A850	T803-A847 VanDerWaalsContact O-CB 3.23Å; T803-A847 WeakPolarHBondContact O-CB 3.3Å; S804-A847 WeakPolarHBondContact O-CB 3.48Å; I806-A847 HydrophobicContact CG1-CB 4.16Å; P843-A847 WeakPolarHBondContact O-CB 3.49Å; P843-A847 PolarHBondContact O-N 3.24Å; Y844-A847 PolarHBondContact O-N 3.41Å; A847-A850 PolarHBondContact O-N 2.7Å
848	M	80.3	Confident	78.4	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-51.7	173.1	176.8	-177.2	74.3	0	0	110.5	V810 A813 K814 Y844 E845 E846 A850 Q851 A852	V810-M848 HydrophobicContact CG2-CE 4.2Å; V810-M848 HydrophobicContact CG2-CG 3.81Å; V810-M848 HydrophobicContact CG2-SD 3.95Å; A813-M848 HydrophobicContact CB-CB 4.3Å; A813-M848 HydrophobicContact CB-CG 3.5Å; A813-M848 HydrophobicContact CB-SD 3.49Å; A813-M848 WeakPolarHBondContact CB-SD 3.25Å; K814-M848 HydrophobicContact CG-CE 4.08Å; K814-M848 HydrophobicContact CG-SD 3.79Å; Y844-M848 VanDerWaalsContact O-CB 3.28Å; Y844-M848 WeakPolarHBondContact O-CB 3.29Å; Y844-M848 PolarHBondContact O-N 3.21Å; E845-M848 HydrophobicContact CG-CE 4.28Å; E845-M848 PolarHBondContact O-N 2.8Å; E845-M848 WeakPolarHBondContact OE1-CE 3.44Å; E845-M848 VanDerWaalsContact OE2-CE 3.24Å; E845-M848 WeakPolarHBondContact OE2-CE 3.19Å; E846-M848 VanDerWaalsContact C-N 3.33Å; E846-M848 PolarHBondContact O-N 2.85Å; M848-A850 PolarHBondContact O-N 2.95Å; M848-Q851 PolarHBondContact O-N 2.93Å; M848-A852 HydrophobicContact CG-CB 4.28Å; M848-A852 WeakPolarHBondContact O-CB 3.42Å; M848-A852 PolarHBondContact O-N 3.39Å
849	C	69.6	Low	79.4	Confident	64 Å²	64	42.5 Å²	42.5	43%	0.432	24%	0.235	S	C	.	.	H	α-helix	trans	-66	-26.3	-179.1	-67.1	0	0	0	0	113.2	E845 E846	E845-C849 WeakPolarHBondContact O-CB 3.45Å; E845-C849 PolarHBondContact O-N 2.93Å; E845-C849 PolarHBondContact O-SG 3.12Å; E846-C849 PolarHBondContact O-N 3.24Å
850	A	68.4	Low	79.9	Confident	24 Å²	24	46.2 Å²	46.2	20%	0.198	25%	0.252	C	S	.	.	H	α-helix	trans	-73.3	-21.7	-177.9	0	0	0	0	0	114.5	A470 Y471 E846 A847 M848	A470-A850 CarbonylContact C-O 3.6Å; A470-A850 HydrophobicContact CB-CB 4.47Å; Y471-A850 WeakPolarHBondContact CA-O 3.46Å; Y471-A850 WeakPolarHBondContact CB-O 3.46Å; Y471-A850 PolarHBondContact N-O 3.45Å; E846-A850 VanDerWaalsContact O-CB 3.28Å; E846-A850 WeakPolarHBondContact O-CB 3.39Å; E846-A850 PolarHBondContact O-N 3.27Å; A847-A850 PolarHBondContact O-N 2.7Å; M848-A850 PolarHBondContact O-N 2.95Å
851	Q	65.9	Low	80.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-141.1	-6.7	-174	-59.4	-165.5	28.8	0	0	114.9	K474 F644 C648 E805 M848 L853	K474-Q851 HydrophobicContact CD-CG 3.76Å; F644-Q851 HydrophobicContact CE1-CB 4.37Å; C648-Q851 PolarHBondContact SG-OE1 3.24Å; E805-Q851 VanDerWaalsContact CB-NE2 3.34Å; E805-Q851 PolarHBondContact OE1-NE2 2.81Å; E805-Q851 PolarHBondContact OE2-NE2 3.19Å; E805-Q851 VanDerWaalsContact OE2-NE2 3.15Å; M848-Q851 PolarHBondContact O-N 2.93Å; Q851-L853 PolarHBondContact O-N 3.33Å
852	A	64.6	Low	80.1	Confident	5 Å²	5	43.9 Å²	43.9	4%	0.041	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-69.5	124.4	-172.4	0	0	0	0	0	112.4	Y471 V810 M848	Y471-A852 VanDerWaalsContact CD1-O 3.29Å; Y471-A852 WeakPolarHBondContact CD1-O 3.4Å; V810-A852 HydrophobicContact CB-CB 3.51Å; V810-A852 HydrophobicContact CG2-CB 3.51Å; M848-A852 HydrophobicContact CG-CB 4.28Å; M848-A852 WeakPolarHBondContact O-CB 3.42Å; M848-A852 PolarHBondContact O-N 3.39Å
853	L	70.6	Confident	80.4	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.021	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-84.6	155.6	167	-65.8	172.6	0	0	0	109.8	Y471 F644 F645 A809 V810 Q851	Y471-L853 HydrophobicContact CD2-CD2 4.15Å; Y471-L853 HydrophobicContact CE2-CD2 4.35Å; F644-L853 HydrophobicContact CD1-CD1 4.03Å; F644-L853 HydrophobicContact CD1-CG 4.4Å; F645-L853 HydrophobicContact CE2-CD1 4.05Å; F645-L853 HydrophobicContact CZ-CB 4.31Å; F645-L853 HydrophobicContact CZ-CD1 4Å; F645-L853 HydrophobicContact CZ-CG 4.15Å; A809-L853 CarbonylContact C-O 3.48Å; A809-L853 WeakPolarHBondContact CA-O 3.36Å; A809-L853 WeakPolarHBondContact CB-O 3.27Å; V810-L853 PolarHBondContact N-O 3.39Å; Q851-L853 PolarHBondContact O-N 3.33Å
854	P	72.8	Confident	80.8	Confident	43 Å²	43	41.6 Å²	41.6	28%	0.279	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-69.5	145.2	173.4	28.1	-33.2	0	0	0	111	C631 K970	C631-P854 HydrophobicContact CB-CG 4.48Å; P854-K970 WeakPolarHBondContact O-CE 3.47Å
855	G	80.3	Confident	80.9	Confident	14 Å²	14	43 Å²	43	14%	0.144	25%	0.246	C	C	.	.			trans	-149.7	-153.6	178.9	0	0	0	0	0	112	E811 K970	E811-G855 WeakPolarHBondContact OE2-CA 3.36Å; E811-G855 PolarHBondContact OE2-N 2.96Å; G855-K970 WeakPolarHBondContact CA-O 3.41Å
856	V	85.5	Confident	81.2	Confident	24 Å²	24	41.8 Å²	41.8	15%	0.145	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131.4	-179.7	176.7	0	0	0	0	108.1	E858 K970 H971 L972 Y973	V856-E858 HydrophobicContact CG1-CG 3.91Å; V856-K970 PolarHBondContact N-O 2.93Å; V856-H971 HydrophobicContact CB-CB 4.47Å; V856-H971 WeakPolarHBondContact CB-ND1 3.29Å; V856-H971 PolarHBondContact N-ND1 3.12Å; V856-H971 CarbonylContact O-C 3.41Å; V856-H971 VanDerWaalsContact O-CA 3.29Å; V856-H971 WeakPolarHBondContact O-CA 3.35Å; V856-L972 PolarHBondContact O-N 3.28Å; V856-Y973 HydrophobicContact CG1-CE1 4.19Å
857	C	92.7	Very high	81.8	Confident	35 Å²	35	41.1 Å²	41.1	24%	0.236	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119.6	166.1	-173.3	0	0	0	0	109	E811 V815 L972	E811-C857 HydrophobicContact CB-CB 3.77Å; V815-C857 VanDerWaalsContact CG2-SG 3.52Å; C857-L972 CarbonylContact C-O 3.54Å; C857-L972 VanDerWaalsContact CA-O 3.27Å; C857-L972 WeakPolarHBondContact CA-O 3.32Å
858	E	94.5	Very high	82.5	Confident	56 Å²	56	40.8 Å²	40.8	26%	0.262	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.2	177	-68.9	175.1	179.9	0	0	109.4	V856 Y871 K875 L972 Y973 L974	V856-E858 HydrophobicContact CG1-CG 3.91Å; E858-Y871 PolarHBondContact OE2-OH 2.87Å; E858-K875 IonicContact OE1-NZ 2.89Å; E858-K875 PolarHBondContact OE1-NZ 2.66Å; E858-K875 IonicContact OE2-NZ 2.77Å; E858-K875 PolarHBondContact OE2-NZ 3.1Å; E858-K875 VanDerWaalsContact OE2-NZ 3.08Å; E858-L972 PolarHBondContact N-O 2.98Å; E858-Y973 HydrophobicContact CB-CD1 3.9Å; E858-Y973 HydrophobicContact CB-CE1 4.32Å; E858-Y973 HydrophobicContact CG-CD1 4.34Å; E858-Y973 HydrophobicContact CG-CE1 4.25Å; E858-Y973 CarbonylContact O-C 3.58Å; E858-Y973 WeakPolarHBondContact O-CA 3.49Å; E858-Y973 WeakPolarHBondContact OE2-CD1 3.39Å; E858-Y973 WeakPolarHBondContact OE2-CE1 3.25Å; E858-L974 PolarHBondContact O-N 2.94Å
859	I	90.7	Very high	83	Confident	91 Å²	91	40.8 Å²	40.8	47%	0.467	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.7	178.3	-52.6	179.9	0	0	0	107.3	L974	I859-L974 WeakPolarHBondContact CA-O 3.12Å; I859-L974 HydrophobicContact CD1-CD1 4.31Å; I859-L974 HydrophobicContact CG1-CB 4.26Å; I859-L974 HydrophobicContact CG1-CD1 4.23Å; I859-L974 HydrophobicContact CG2-CB 4.29Å
860	K	90.6	Very high	84.1	Confident	83 Å²	83	40.6 Å²	40.6	36%	0.361	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.5	174.9	-64.9	-170	171.4	-170.1	0	110	L863 Y871 L974 L975 E976	K860-L863 HydrophobicContact CB-CD1 3.88Å; K860-Y871 HydrophobicContact CD-CD2 4.42Å; K860-Y871 HydrophobicContact CD-CE1 4.17Å; K860-Y871 HydrophobicContact CD-CE2 4.02Å; K860-Y871 VanDerWaalsContact CE-OH 3.25Å; K860-Y871 WeakPolarHBondContact CE-OH 3.48Å; K860-Y871 PolarHBondContact NZ-OH 3.26Å; K860-L974 PolarHBondContact N-O 2.89Å; K860-L975 HydrophobicContact CB-CD2 3.94Å; K860-L975 HydrophobicContact CG-CD2 4.43Å; K860-L975 CarbonylContact O-C 3.58Å; K860-L975 WeakPolarHBondContact O-CA 3.46Å; K860-E976 PolarHBondContact O-N 2.8Å
861	A	87.6	Confident	85.3	Confident	43 Å²	43	40.4 Å²	40.4	36%	0.355	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	173.4	178.3	0	0	0	0	0	111.4	L863 E976	A861-L863 PolarHBondContact O-N 3.08Å; A861-E976 CarbonylContact C-O 3.59Å; A861-E976 HydrophobicContact CB-CB 4.1Å
862	N	83.4	Confident	86.7	Confident	106 Å²	106	40.4 Å²	40.4	57%	0.567	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	58.6	43.5	178.5	-55.1	-34.5	0	0	0	113.5	E976	N862-E976 PolarHBondContact N-O 3.4Å
863	L	88.5	Confident	88.1	Confident	30 Å²	30	40.4 Å²	40.4	16%	0.157	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.4	178.1	-60.9	177.4	0	0	0	111	K860 A861 Q867 I868 L975 E976 A977 E978	K860-L863 HydrophobicContact CB-CD1 3.88Å; A861-L863 PolarHBondContact O-N 3.08Å; L863-Q867 HydrophobicContact CB-CB 4.33Å; L863-Q867 HydrophobicContact CD2-CB 4.36Å; L863-I868 HydrophobicContact CB-CD1 4.09Å; L863-I868 HydrophobicContact CB-CG1 3.51Å; L863-I868 HydrophobicContact CD1-CG1 3.91Å; L863-I868 HydrophobicContact CG-CG1 4.37Å; L863-L975 HydrophobicContact CD1-CD2 4.4Å; L863-E976 PolarHBondContact N-O 3.16Å; L863-A977 CarbonylContact O-C 3.45Å; L863-A977 WeakPolarHBondContact O-CA 3.41Å; L863-E978 PolarHBondContact O-N 2.74Å
864	T	88.6	Confident	89.2	Confident	63 Å²	63	46.4 Å²	46.4	39%	0.387	27%	0.266	S	S	.	.			trans	-74.4	154.5	165	61.4	0	0	0	0	110	G866 Q867 I868	T864-G866 PolarHBondContact O-N 3.16Å; T864-G866 VanDerWaalsContact O-N 3.1Å; T864-Q867 WeakPolarHBondContact O-CB 3.41Å; T864-Q867 PolarHBondContact O-N 3.44Å; T864-Q867 VanDerWaalsContact OG1-CG 3.29Å; T864-Q867 WeakPolarHBondContact OG1-CG 3.4Å; T864-Q867 PolarHBondContact OG1-N 3.28Å; T864-Q867 PolarHBondContact OG1-OE1 2.67Å; T864-I868 PolarHBondContact O-N 2.72Å
865	P	85.6	Confident	90.1	Very high	32 Å²	32	46.5 Å²	46.5	21%	0.208	26%	0.262	C	S	.	.	H	α-helix	trans	-54.3	-32.7	175.7	-26.5	33	0	0	0	113.9	A869 Q901 Y902	P865-A869 WeakPolarHBondContact O-CB 3.37Å; P865-A869 PolarHBondContact O-N 2.94Å; P865-Q901 HydrophobicContact CB-CG 3.91Å; P865-Q901 HydrophobicContact CG-CG 3.78Å; P865-Y902 HydrophobicContact CB-CD1 4.31Å; P865-Y902 HydrophobicContact CB-CE1 4Å
866	G	87.6	Confident	90.7	Very high	38 Å²	38	45.8 Å²	45.8	39%	0.392	26%	0.255	S	S	.	.	H	α-helix	trans	-69.7	-38.3	174.5	0	0	0	0	0	113.5	T864 S870	T864-G866 PolarHBondContact O-N 3.16Å; T864-G866 VanDerWaalsContact O-N 3.1Å; G866-S870 WeakPolarHBondContact O-CB 3.5Å; G866-S870 PolarHBondContact O-N 3.07Å; G866-S870 PolarHBondContact O-OG 3.33Å
867	Q	91.7	Very high	90.7	Very high	101 Å²	101	47 Å²	47	47%	0.472	26%	0.259	S	S	.	.	H	α-helix	trans	-68.7	-41	173.1	-74.8	165.7	-43.4	0	0	111.5	L863 T864 S870 Y871	L863-Q867 HydrophobicContact CB-CB 4.33Å; L863-Q867 HydrophobicContact CD2-CB 4.36Å; T864-Q867 WeakPolarHBondContact O-CB 3.41Å; T864-Q867 PolarHBondContact O-N 3.44Å; T864-Q867 VanDerWaalsContact OG1-CG 3.29Å; T864-Q867 WeakPolarHBondContact OG1-CG 3.4Å; T864-Q867 PolarHBondContact OG1-N 3.28Å; T864-Q867 PolarHBondContact OG1-OE1 2.67Å; Q867-S870 PolarHBondContact O-N 3.47Å; Q867-Y871 VanDerWaalsContact O-CB 3.32Å; Q867-Y871 WeakPolarHBondContact O-CB 3.41Å; Q867-Y871 PolarHBondContact O-N 3.38Å
868	I	92.5	Very high	90.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.3	-51.5	172.8	-68.9	178.9	0	0	0	109.8	L863 T864 S870 Y871 V872 Y902 L949 L975 A977	L863-I868 HydrophobicContact CB-CD1 4.09Å; L863-I868 HydrophobicContact CB-CG1 3.51Å; L863-I868 HydrophobicContact CD1-CG1 3.91Å; L863-I868 HydrophobicContact CG-CG1 4.37Å; T864-I868 PolarHBondContact O-N 2.72Å; I868-S870 VanDerWaalsContact C-N 3.32Å; I868-S870 PolarHBondContact O-N 3.39Å; I868-Y871 WeakPolarHBondContact O-CB 2.73Å; I868-Y871 PolarHBondContact O-N 2.88Å; I868-V872 HydrophobicContact CG2-CG2 4.29Å; I868-V872 VanDerWaalsContact O-CG2 3.3Å; I868-V872 WeakPolarHBondContact O-CG2 3.4Å; I868-V872 PolarHBondContact O-N 2.89Å; I868-Y902 HydrophobicContact CB-CE1 4.26Å; I868-Y902 HydrophobicContact CD1-CE1 3.98Å; I868-Y902 HydrophobicContact CG2-CD1 4.29Å; I868-Y902 HydrophobicContact CG2-CE1 3.96Å; I868-L949 HydrophobicContact CG2-CD1 4.42Å; I868-L949 HydrophobicContact CG2-CD2 3.68Å; I868-L975 HydrophobicContact CD1-CB 4.38Å; I868-L975 HydrophobicContact CG1-CB 4.32Å; I868-L975 HydrophobicContact CG2-CB 4.18Å; I868-L975 HydrophobicContact CG2-CD1 3.9Å; I868-A977 HydrophobicContact CD1-CB 3.7Å
869	A	91.8	Very high	89.9	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-41.8	-180	0	0	0	0	0	112.6	P865 A873 A905 L906 A909	P865-A869 WeakPolarHBondContact O-CB 3.37Å; P865-A869 PolarHBondContact O-N 2.94Å; A869-A873 WeakPolarHBondContact O-CB 3.19Å; A869-A873 PolarHBondContact O-N 2.98Å; A869-A905 HydrophobicContact CB-CB 3.62Å; A869-L906 HydrophobicContact CB-CD2 4.02Å; A869-L906 HydrophobicContact CB-CG 4.1Å; A869-A909 HydrophobicContact CB-CB 4.3Å; A869-A909 WeakPolarHBondContact O-CB 3.22Å
870	S	92.3	Very high	89.4	Confident	59 Å²	59	42.7 Å²	42.7	41%	0.413	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-42.5	176.3	-57.4	0	0	0	0	111.6	G866 Q867 I868 A873 E874	G866-S870 WeakPolarHBondContact O-CB 3.5Å; G866-S870 PolarHBondContact O-N 3.07Å; G866-S870 PolarHBondContact O-OG 3.33Å; Q867-S870 PolarHBondContact O-N 3.47Å; I868-S870 VanDerWaalsContact C-N 3.32Å; I868-S870 PolarHBondContact O-N 3.39Å; S870-A873 PolarHBondContact O-N 2.95Å; S870-E874 WeakPolarHBondContact O-CB 3.09Å; S870-E874 PolarHBondContact O-N 2.98Å
871	Y	94.6	Very high	88.4	Confident	21 Å²	21	43.7 Å²	43.7	8%	0.082	25%	0.245	C	C	.	.	H	α-helix	trans	-65.1	-46.7	178.4	-175.3	-103.7	0	0	0	112.8	E858 K860 Q867 I868 A873 E874 K875 Y973 L975	E858-Y871 PolarHBondContact OE2-OH 2.87Å; K860-Y871 HydrophobicContact CD-CD2 4.42Å; K860-Y871 HydrophobicContact CD-CE1 4.17Å; K860-Y871 HydrophobicContact CD-CE2 4.02Å; K860-Y871 VanDerWaalsContact CE-OH 3.25Å; K860-Y871 WeakPolarHBondContact CE-OH 3.48Å; K860-Y871 PolarHBondContact NZ-OH 3.26Å; Q867-Y871 VanDerWaalsContact O-CB 3.32Å; Q867-Y871 WeakPolarHBondContact O-CB 3.41Å; Q867-Y871 PolarHBondContact O-N 3.38Å; I868-Y871 WeakPolarHBondContact O-CB 2.73Å; I868-Y871 PolarHBondContact O-N 2.88Å; Y871-A873 VanDerWaalsContact C-N 3.29Å; Y871-A873 PolarHBondContact O-N 3.31Å; Y871-E874 PolarHBondContact O-N 3.4Å; Y871-K875 HydrophobicContact CD1-CG 4.29Å; Y871-K875 HydrophobicContact CE1-CG 3.84Å; Y871-K875 HydrophobicContact CE2-CG 4.04Å; Y871-K875 WeakPolarHBondContact O-CB 3.24Å; Y871-K875 WeakPolarHBondContact O-CG 3.46Å; Y871-K875 PolarHBondContact O-N 2.86Å; Y871-K875 VanDerWaalsContact OH-CE 3.27Å; Y871-K875 WeakPolarHBondContact OH-CE 3.37Å; Y871-Y973 HydrophobicContact CE1-CD1 4.45Å; Y871-L975 HydrophobicContact CD1-CD1 3.79Å; Y871-L975 HydrophobicContact CD1-CD2 3.62Å; Y871-L975 HydrophobicContact CD1-CG 4.38Å; Y871-L975 HydrophobicContact CE1-CD1 4.46Å; Y871-L975 HydrophobicContact CE1-CD2 3.71Å
872	V	95.3	Very high	87.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-44.4	176.1	174	0	0	0	0	109.7	I868 K875 C876 I891 L906 F947 L949 L975	I868-V872 HydrophobicContact CG2-CG2 4.29Å; I868-V872 VanDerWaalsContact O-CG2 3.3Å; I868-V872 WeakPolarHBondContact O-CG2 3.4Å; I868-V872 PolarHBondContact O-N 2.89Å; V872-K875 PolarHBondContact O-N 3.05Å; V872-C876 VanDerWaalsContact O-CB 3.27Å; V872-C876 WeakPolarHBondContact O-CB 3.4Å; V872-C876 PolarHBondContact O-N 3.16Å; V872-C876 PolarHBondContact O-SG 3.01Å; V872-I891 HydrophobicContact CG1-CD1 3.63Å; V872-I891 HydrophobicContact CG1-CG1 4.11Å; V872-L906 HydrophobicContact CB-CD2 3.73Å; V872-L906 HydrophobicContact CG1-CD2 3.7Å; V872-L906 HydrophobicContact CG2-CD2 4.3Å; V872-F947 HydrophobicContact CB-CD1 4.39Å; V872-F947 HydrophobicContact CG1-CD1 4.19Å; V872-F947 HydrophobicContact CG1-CD2 4.44Å; V872-F947 HydrophobicContact CG1-CE1 4.34Å; V872-F947 HydrophobicContact CG1-CG 4.24Å; V872-F947 HydrophobicContact CG2-CD1 3.82Å; V872-F947 HydrophobicContact CG2-CE1 4.34Å; V872-F947 HydrophobicContact CG2-CG 4.33Å; V872-L949 HydrophobicContact CG2-CD2 4.25Å; V872-L975 HydrophobicContact CG2-CD1 3.4Å
873	A	93.1	Very high	86.6	Confident	4 Å²	4	40.4 Å²	40.4	3%	0.033	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-49.2	178.2	0	0	0	0	0	112.6	A869 S870 Y871 K875 C876 H877 A909 M910	A869-A873 WeakPolarHBondContact O-CB 3.19Å; A869-A873 PolarHBondContact O-N 2.98Å; S870-A873 PolarHBondContact O-N 2.95Å; Y871-A873 VanDerWaalsContact C-N 3.29Å; Y871-A873 PolarHBondContact O-N 3.31Å; A873-K875 VanDerWaalsContact C-N 3.33Å; A873-K875 PolarHBondContact O-N 2.89Å; A873-C876 PolarHBondContact O-N 2.94Å; A873-H877 PolarHBondContact O-CD2 3.07Å; A873-H877 VanDerWaalsContact O-CG 3.26Å; A873-H877 PolarHBondContact O-N 3.15Å; A873-A909 HydrophobicContact CB-CB 3.65Å; A873-M910 VanDerWaalsContact CA-SD 3.53Å; A873-M910 HydrophobicContact CB-CG 4.32Å; A873-M910 HydrophobicContact CB-SD 3.76Å
874	E	92.7	Very high	86	Confident	131 Å²	131	39.4 Å²	39.4	61%	0.612	22%	0.219	S	C	*	.	H	α-helix	trans	-56.3	-46.9	176.5	-173.5	-172.6	164.2	0	0	111.7	S870 Y871 H877 S878	S870-E874 WeakPolarHBondContact O-CB 3.09Å; S870-E874 PolarHBondContact O-N 2.98Å; Y871-E874 PolarHBondContact O-N 3.4Å; E874-H877 PolarHBondContact O-N 3.47Å; E874-S878 PolarHBondContact O-N 3.29Å
875	K	92.5	Very high	85.5	Confident	44 Å²	44	41.1 Å²	41.1	19%	0.191	22%	0.218	C	C	.	.	H	α-helix	trans	-66.2	-43.8	178.2	-75.8	-76.4	169.1	158.4	0	112.1	E858 Y871 V872 A873 H877 S878 L879 F947 Y973	E858-K875 IonicContact OE1-NZ 2.89Å; E858-K875 PolarHBondContact OE1-NZ 2.66Å; E858-K875 IonicContact OE2-NZ 2.77Å; E858-K875 PolarHBondContact OE2-NZ 3.1Å; E858-K875 VanDerWaalsContact OE2-NZ 3.08Å; Y871-K875 HydrophobicContact CD1-CG 4.29Å; Y871-K875 HydrophobicContact CE1-CG 3.84Å; Y871-K875 HydrophobicContact CE2-CG 4.04Å; Y871-K875 WeakPolarHBondContact O-CB 3.24Å; Y871-K875 WeakPolarHBondContact O-CG 3.46Å; Y871-K875 PolarHBondContact O-N 2.86Å; Y871-K875 VanDerWaalsContact OH-CE 3.27Å; Y871-K875 WeakPolarHBondContact OH-CE 3.37Å; V872-K875 PolarHBondContact O-N 3.05Å; A873-K875 VanDerWaalsContact C-N 3.33Å; A873-K875 PolarHBondContact O-N 2.89Å; K875-H877 VanDerWaalsContact C-N 3.33Å; K875-H877 PolarHBondContact O-N 3.07Å; K875-S878 WeakPolarHBondContact O-CB 3.43Å; K875-S878 PolarHBondContact O-N 2.94Å; K875-L879 WeakPolarHBondContact O-CB 3.39Å; K875-L879 WeakPolarHBondContact O-CD1 3.34Å; K875-L879 WeakPolarHBondContact O-CG 3.02Å; K875-L879 PolarHBondContact O-N 2.92Å; K875-F947 HydrophobicContact CB-CE1 3.9Å; K875-F947 HydrophobicContact CB-CZ 3.88Å; K875-Y973 HydrophobicContact CD-CE1 4Å
876	C	92	Very high	85.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.8	-47.1	173.9	-77.4	0	0	0	0	111.1	V872 A873 S878 L879 F880 M910	V872-C876 VanDerWaalsContact O-CB 3.27Å; V872-C876 WeakPolarHBondContact O-CB 3.4Å; V872-C876 PolarHBondContact O-N 3.16Å; V872-C876 PolarHBondContact O-SG 3.01Å; A873-C876 PolarHBondContact O-N 2.94Å; C876-S878 VanDerWaalsContact C-N 3.35Å; C876-S878 PolarHBondContact O-N 3.42Å; C876-L879 PolarHBondContact O-N 2.88Å; C876-F880 HydrophobicContact CB-CD2 4.42Å; C876-F880 HydrophobicContact CB-CE2 3.76Å; C876-F880 HydrophobicContact CB-CZ 3.97Å; C876-F880 WeakPolarHBondContact O-CD2 3.25Å; C876-F880 WeakPolarHBondContact O-CG 3.24Å; C876-F880 PolarHBondContact O-N 2.92Å; C876-M910 HydrophobicContact CB-CE 3.86Å; C876-M910 HydrophobicContact CB-SD 3.97Å
877	H	87.2	Confident	85.6	Confident	50 Å²	50	41.8 Å²	41.8	23%	0.231	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-41.7	177.1	-64.4	-42.8	0	0	0	112.5	A873 E874 K875 F880 H881 G913	A873-H877 PolarHBondContact O-CD2 3.07Å; A873-H877 VanDerWaalsContact O-CG 3.26Å; A873-H877 PolarHBondContact O-N 3.15Å; E874-H877 PolarHBondContact O-N 3.47Å; K875-H877 VanDerWaalsContact C-N 3.33Å; K875-H877 PolarHBondContact O-N 3.07Å; H877-F880 PolarHBondContact O-N 3.06Å; H877-H881 PolarHBondContact O-N 2.98Å; H877-G913 VanDerWaalsContact CE1-CA 3.43Å; H877-G913 WeakPolarHBondContact CE1-CA 3.07Å
878	S	84.3	Confident	85.5	Confident	59 Å²	59	38.1 Å²	38.1	41%	0.413	20%	0.195	S	C	.	.	H	α-helix	trans	-60.2	-46.6	173	-172.3	0	0	0	0	111.8	E874 K875 C876 F880 H881 E882	E874-S878 PolarHBondContact O-N 3.29Å; K875-S878 WeakPolarHBondContact O-CB 3.43Å; K875-S878 PolarHBondContact O-N 2.94Å; C876-S878 VanDerWaalsContact C-N 3.35Å; C876-S878 PolarHBondContact O-N 3.42Å; S878-F880 VanDerWaalsContact C-N 3.34Å; S878-F880 PolarHBondContact O-N 3.43Å; S878-H881 WeakPolarHBondContact O-CB 3.35Å; S878-H881 PolarHBondContact O-N 2.86Å; S878-H881 VanDerWaalsContact O-N 3.15Å; S878-E882 WeakPolarHBondContact O-CG 3.36Å; S878-E882 PolarHBondContact O-N 3.17Å
879	L	84.8	Confident	85.6	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-38.5	179.5	-69.8	163.4	0	0	0	111.5	K875 C876 H881 E882 G883 Y884 I945 F947 Y973	K875-L879 WeakPolarHBondContact O-CB 3.39Å; K875-L879 WeakPolarHBondContact O-CD1 3.34Å; K875-L879 WeakPolarHBondContact O-CG 3.02Å; K875-L879 PolarHBondContact O-N 2.92Å; C876-L879 PolarHBondContact O-N 2.88Å; L879-H881 VanDerWaalsContact C-N 3.28Å; L879-H881 PolarHBondContact O-N 3.19Å; L879-E882 CarbonylContact O-C 3.36Å; L879-E882 WeakPolarHBondContact O-CB 3.32Å; L879-E882 PolarHBondContact O-N 2.94Å; L879-E882 VanDerWaalsContact O-N 3.16Å; L879-G883 PolarHBondContact O-N 3.02Å; L879-Y884 HydrophobicContact CB-CD2 3.83Å; L879-Y884 HydrophobicContact CB-CG 4.43Å; L879-Y884 HydrophobicContact CD2-CD2 3.62Å; L879-Y884 HydrophobicContact CD2-CE2 3.6Å; L879-Y884 HydrophobicContact CG-CD2 4.35Å; L879-Y884 VanDerWaalsContact O-CD2 3.31Å; L879-Y884 WeakPolarHBondContact O-CD2 3.27Å; L879-Y884 PolarHBondContact O-N 2.85Å; L879-I945 HydrophobicContact CD1-CD1 4.06Å; L879-I945 HydrophobicContact CD1-CG1 4.42Å; L879-I945 HydrophobicContact CD1-CG2 3.96Å; L879-I945 HydrophobicContact CD2-CD1 4.08Å; L879-I945 HydrophobicContact CG-CD1 4.46Å; L879-F947 HydrophobicContact CD1-CE2 4.34Å; L879-F947 HydrophobicContact CD1-CZ 4.04Å; L879-Y973 HydrophobicContact CD1-CE2 4.18Å
880	F	81	Confident	85.8	Confident	29 Å²	29	38.1 Å²	38.1	13%	0.127	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-35.2	174.4	-58	-34.8	0	0	0	111.9	C876 H877 S878 G883 Y884 P886 I889 M910 M915 V917	C876-F880 HydrophobicContact CB-CD2 4.42Å; C876-F880 HydrophobicContact CB-CE2 3.76Å; C876-F880 HydrophobicContact CB-CZ 3.97Å; C876-F880 WeakPolarHBondContact O-CD2 3.25Å; C876-F880 WeakPolarHBondContact O-CG 3.24Å; C876-F880 PolarHBondContact O-N 2.92Å; H877-F880 PolarHBondContact O-N 3.06Å; S878-F880 VanDerWaalsContact C-N 3.34Å; S878-F880 PolarHBondContact O-N 3.43Å; F880-G883 VanDerWaalsContact O-CA 3.3Å; F880-G883 WeakPolarHBondContact O-CA 3.41Å; F880-G883 PolarHBondContact O-N 2.93Å; F880-Y884 WeakPolarHBondContact CD1-O 3.42Å; F880-P886 HydrophobicContact CE1-CG 4.2Å; F880-P886 HydrophobicContact CZ-CG 4.34Å; F880-I889 HydrophobicContact CD1-CD1 4.33Å; F880-I889 HydrophobicContact CE1-CD1 3.44Å; F880-I889 VanDerWaalsContact CE1-CD1 3.44Å; F880-I889 HydrophobicContact CZ-CD1 3.85Å; F880-M910 HydrophobicContact CE2-CE 3.99Å; F880-M910 HydrophobicContact CZ-CE 4.32Å; F880-M915 HydrophobicContact CB-CE 4.12Å; F880-M915 HydrophobicContact CD1-CE 3.6Å; F880-M915 HydrophobicContact CD2-CE 3.23Å; F880-M915 HydrophobicContact CE1-CE 3.69Å; F880-M915 HydrophobicContact CE2-CE 3.34Å; F880-M915 HydrophobicContact CG-CE 3.37Å; F880-M915 HydrophobicContact CG-SD 4.46Å; F880-M915 HydrophobicContact CZ-CE 3.57Å; F880-V917 HydrophobicContact CE2-CG2 3.85Å; F880-V917 HydrophobicContact CZ-CG2 4.09Å
881	H	68.9	Low	86	Confident	105 Å²	105	35.3 Å²	35.3	49%	0.486	18%	0.175	S	C	.	.	H	α-helix	trans	-70.2	-32.2	173	-171.6	-83.1	0	0	0	112.7	R528 H877 S878 L879 G883	R528-H881 PolarHBondContact NH1-O 2.84Å; H877-H881 PolarHBondContact O-N 2.98Å; S878-H881 WeakPolarHBondContact O-CB 3.35Å; S878-H881 PolarHBondContact O-N 2.86Å; S878-H881 VanDerWaalsContact O-N 3.15Å; L879-H881 VanDerWaalsContact C-N 3.28Å; L879-H881 PolarHBondContact O-N 3.19Å; H881-G883 PolarHBondContact O-N 2.93Å
882	E	67.5	Low	86.1	Confident	57 Å²	57	34.3 Å²	34.3	27%	0.266	17%	0.171	S	C	.	.	H	α-helix	trans	-68.9	-18.6	168.5	-68	175.5	177.5	0	0	112.1	R528 V635 S878 L879 Y884	R528-E882 PolarHBondContact NH1-O 3.22Å; V635-E882 WeakPolarHBondContact CG2-O 3.4Å; S878-E882 WeakPolarHBondContact O-CG 3.36Å; S878-E882 PolarHBondContact O-N 3.17Å; L879-E882 CarbonylContact O-C 3.36Å; L879-E882 WeakPolarHBondContact O-CB 3.32Å; L879-E882 PolarHBondContact O-N 2.94Å; L879-E882 VanDerWaalsContact O-N 3.16Å; E882-Y884 HydrophobicContact CB-CD2 4.16Å; E882-Y884 HydrophobicContact CB-CE2 4.23Å
883	G	65.3	Low	85.9	Confident	23 Å²	23	34.4 Å²	34.4	24%	0.237	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.8	11.4	169	0	0	0	0	0	114.7	V635 L879 F880 H881	V635-G883 WeakPolarHBondContact CG2-O 3.36Å; L879-G883 PolarHBondContact O-N 3.02Å; F880-G883 VanDerWaalsContact O-CA 3.3Å; F880-G883 WeakPolarHBondContact O-CA 3.41Å; F880-G883 PolarHBondContact O-N 2.93Å; H881-G883 PolarHBondContact O-N 2.93Å
884	Y	76.8	Confident	85.5	Confident	8 Å²	8	35.9 Å²	35.9	3%	0.031	18%	0.176	C	C	.	.			trans	-63.4	153.8	167.1	-65.8	-79	0	0	0	110.8	D638 L879 F880 E882 D888 I945 H971	D638-Y884 HydrophobicContact CB-CE1 3.8Å; D638-Y884 PolarHBondContact OD1-OH 2.65Å; D638-Y884 WeakPolarHBondContact OD2-CE1 3.31Å; D638-Y884 PolarHBondContact OD2-OH 2.88Å; L879-Y884 HydrophobicContact CB-CD2 3.83Å; L879-Y884 HydrophobicContact CB-CG 4.43Å; L879-Y884 HydrophobicContact CD2-CD2 3.62Å; L879-Y884 HydrophobicContact CD2-CE2 3.6Å; L879-Y884 HydrophobicContact CG-CD2 4.35Å; L879-Y884 VanDerWaalsContact O-CD2 3.31Å; L879-Y884 WeakPolarHBondContact O-CD2 3.27Å; L879-Y884 PolarHBondContact O-N 2.85Å; F880-Y884 WeakPolarHBondContact CD1-O 3.42Å; E882-Y884 HydrophobicContact CB-CD2 4.16Å; E882-Y884 HydrophobicContact CB-CE2 4.23Å; Y884-D888 HydrophobicContact CD1-CB 4.4Å; Y884-I945 HydrophobicContact CD1-CD1 3.41Å; Y884-I945 VanDerWaalsContact CD1-CD1 3.41Å; Y884-I945 HydrophobicContact CD1-CG1 4.48Å; Y884-I945 HydrophobicContact CD2-CD1 3.9Å; Y884-I945 HydrophobicContact CE1-CD1 3.8Å; Y884-I945 HydrophobicContact CE1-CG1 4.46Å; Y884-I945 HydrophobicContact CE2-CD1 4.25Å; Y884-I945 HydrophobicContact CG-CD1 3.46Å; Y884-I945 VanDerWaalsContact CG-CD1 3.46Å; Y884-H971 AromaticContact CE2-NE2 4Å; Y884-H971 AromaticContact CZ-CD2 3.91Å; Y884-H971 AromaticContact CZ-NE2 3.69Å; Y884-H971 PolarHBondContact OH-NE2 2.83Å
885	R	78.7	Confident	85	Confident	99 Å²	99	35.8 Å²	35.8	37%	0.374	17%	0.17	S	C	.	.			trans	-105.1	159.2	177.2	-64	-179.5	174.3	-164.3	-6.4	111.2	Q887 D888 C1049	R885-Q887 HydrophobicContact CB-CG 3.64Å; R885-Q887 PolarHBondContact O-N 3.05Å; R885-D888 PolarHBondContact N-OD2 3.4Å; R885-D888 WeakPolarHBondContact O-CB 3.3Å; R885-D888 PolarHBondContact O-N 2.91Å; R885-C1049 PolarHBondContact NH2-SG 2.94Å
886	P	87.2	Confident	84.4	Confident	25 Å²	25	42.5 Å²	42.5	16%	0.162	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-47.2	-44.5	170.5	-33.7	39.9	0	0	0	113.7	F880 D888 I889 M915 G929 V930	F880-P886 HydrophobicContact CE1-CG 4.2Å; F880-P886 HydrophobicContact CZ-CG 4.34Å; P886-D888 PolarHBondContact O-N 3.28Å; P886-D888 VanDerWaalsContact O-N 3.12Å; P886-I889 PolarHBondContact O-N 3.33Å; P886-I889 VanDerWaalsContact O-N 3.07Å; P886-M915 HydrophobicContact CG-CE 3.56Å; P886-G929 CarbonylContact C-O 3.56Å; P886-V930 HydrophobicContact CB-CG2 3.9Å; P886-V930 WeakPolarHBondContact O-CA 3.46Å
887	Q	87.9	Confident	83.9	Confident	60 Å²	60	47.6 Å²	47.6	28%	0.28	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-61.6	-16.7	177.3	59.9	167.8	40.9	0	0	114.8	R885 I889 D928 G929 R943	R885-Q887 HydrophobicContact CB-CG 3.64Å; R885-Q887 PolarHBondContact O-N 3.05Å; Q887-I889 VanDerWaalsContact C-N 3.28Å; Q887-D928 PolarHBondContact OE1-OD1 2.61Å; Q887-G929 WeakPolarHBondContact CA-O 3.49Å; Q887-G929 PolarHBondContact N-O 3.4Å; Q887-R943 WeakPolarHBondContact O-CD 3.49Å; Q887-R943 PolarHBondContact O-NE 2.98Å; Q887-R943 PolarHBondContact O-NH1 3.39Å; Q887-R943 PolarHBondContact O-NH2 3.21Å
888	D	88.8	Confident	83.7	Confident	24 Å²	24	45.9 Å²	45.9	13%	0.128	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-85.1	-6.5	178.7	-59	-37.2	0	0	0	112	Y884 R885 P886 N944 I945	Y884-D888 HydrophobicContact CD1-CB 4.4Å; R885-D888 PolarHBondContact N-OD2 3.4Å; R885-D888 WeakPolarHBondContact O-CB 3.3Å; R885-D888 PolarHBondContact O-N 2.91Å; P886-D888 PolarHBondContact O-N 3.28Å; P886-D888 VanDerWaalsContact O-N 3.12Å; D888-N944 HydrophobicContact CB-CB 4.31Å; D888-N944 PolarHBondContact O-N 2.83Å; D888-I945 PolarHBondContact O-N 3.19Å
889	I	94.3	Very high	83.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.4	-171.2	-52.7	-177.1	0	0	0	110.9	F880 P886 Q887 I891 V930 I931 I945 F947	F880-I889 HydrophobicContact CD1-CD1 4.33Å; F880-I889 HydrophobicContact CE1-CD1 3.44Å; F880-I889 VanDerWaalsContact CE1-CD1 3.44Å; F880-I889 HydrophobicContact CZ-CD1 3.85Å; P886-I889 PolarHBondContact O-N 3.33Å; P886-I889 VanDerWaalsContact O-N 3.07Å; Q887-I889 VanDerWaalsContact C-N 3.28Å; I889-I891 HydrophobicContact CG2-CG1 4.32Å; I889-V930 HydrophobicContact CB-CG1 4.25Å; I889-V930 HydrophobicContact CB-CG2 4.18Å; I889-V930 HydrophobicContact CG2-CG1 3.98Å; I889-I931 PolarHBondContact O-N 2.91Å; I889-I931 VanDerWaalsContact O-N 3.14Å; I889-I945 WeakPolarHBondContact CA-O 3.43Å; I889-I945 HydrophobicContact CD1-CD1 4.47Å; I889-I945 HydrophobicContact CG1-CB 4.12Å; I889-I945 HydrophobicContact CG1-CD1 3.94Å; I889-I945 HydrophobicContact CG1-CG2 4.37Å; I889-I945 HydrophobicContact CG2-CG2 4.29Å; I889-F947 HydrophobicContact CG2-CD2 3.8Å; I889-F947 HydrophobicContact CG2-CE2 3.75Å
890	A	96.4	Very high	83.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.1	162	0	0	0	0	0	110.6	L892 I931 F938 R943 I945 V946 F947	A890-L892 HydrophobicContact CB-CD2 4.05Å; A890-L892 HydrophobicContact CB-CG 4.11Å; A890-I931 CarbonylContact C-O 3.49Å; A890-I931 WeakPolarHBondContact CA-O 3.47Å; A890-I931 HydrophobicContact CB-CB 4Å; A890-F938 HydrophobicContact CB-CE1 4.2Å; A890-F938 HydrophobicContact CB-CZ 4.24Å; A890-R943 HydrophobicContact CB-CB 4.08Å; A890-R943 HydrophobicContact CB-CG 3.66Å; A890-I945 PolarHBondContact N-O 3.4Å; A890-V946 HydrophobicContact CB-CG2 4.44Å; A890-V946 CarbonylContact O-C 3.5Å; A890-V946 VanDerWaalsContact O-CA 3.29Å; A890-V946 WeakPolarHBondContact O-CA 3.22Å; A890-F947 PolarHBondContact O-N 3.13Å
891	I	96.9	Very high	83.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	108.7	170.6	-58.8	166.7	0	0	0	106.4	V872 I889 L906 F919 V930 I931 F932 D933 F947 L949	V872-I891 HydrophobicContact CG1-CD1 3.63Å; V872-I891 HydrophobicContact CG1-CG1 4.11Å; I889-I891 HydrophobicContact CG2-CG1 4.32Å; I891-L906 HydrophobicContact CG2-CD1 4.09Å; I891-F919 HydrophobicContact CD1-CE1 3.89Å; I891-F919 HydrophobicContact CD1-CZ 4.29Å; I891-V930 HydrophobicContact CD1-CG1 3.69Å; I891-V930 HydrophobicContact CG1-CG1 3.86Å; I891-I931 PolarHBondContact N-O 3.46Å; I891-F932 HydrophobicContact CB-CD2 3.94Å; I891-F932 HydrophobicContact CG2-CD2 3.75Å; I891-F932 HydrophobicContact CG2-CE2 3.99Å; I891-F932 WeakPolarHBondContact O-CA 3.42Å; I891-D933 PolarHBondContact O-N 3.46Å; I891-F947 HydrophobicContact CB-CB 4.44Å; I891-F947 HydrophobicContact CG1-CB 4.16Å; I891-F947 HydrophobicContact CG1-CD2 4Å; I891-F947 HydrophobicContact CG1-CG 4.36Å; I891-F947 HydrophobicContact CG2-CB 4.33Å; I891-L949 HydrophobicContact CG2-CD1 3.68Å; I891-L949 HydrophobicContact CG2-CG 4.07Å
892	L	95.3	Very high	84.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132	-171.2	-57.1	-179.6	0	0	0	110.1	A890 D933 V935 F938 V946 F947 L949 F964 R967	A890-L892 HydrophobicContact CB-CD2 4.05Å; A890-L892 HydrophobicContact CB-CG 4.11Å; L892-D933 VanDerWaalsContact CA-O 3.28Å; L892-D933 WeakPolarHBondContact CA-O 3.48Å; L892-V935 HydrophobicContact CB-CB 4.45Å; L892-V935 HydrophobicContact CD1-CG2 4.4Å; L892-F938 HydrophobicContact CD1-CB 4.28Å; L892-F938 HydrophobicContact CD1-CD1 3.62Å; L892-F938 HydrophobicContact CD1-CE1 4.39Å; L892-F938 HydrophobicContact CD1-CG 4.22Å; L892-F938 HydrophobicContact CD2-CB 3.61Å; L892-F938 HydrophobicContact CD2-CD1 3.9Å; L892-F938 HydrophobicContact CD2-CD2 4.39Å; L892-F938 HydrophobicContact CD2-CG 3.69Å; L892-F938 HydrophobicContact CG-CD1 4.37Å; L892-V946 HydrophobicContact CD1-CG1 3.87Å; L892-V946 HydrophobicContact CG-CG1 4.25Å; L892-F947 PolarHBondContact N-O 3.01Å; L892-L949 PolarHBondContact O-N 3.37Å; L892-F964 HydrophobicContact CB-CD1 3.87Å; L892-F964 HydrophobicContact CB-CE1 3.69Å; L892-F964 HydrophobicContact CD1-CD1 4.48Å; L892-F964 WeakPolarHBondContact O-CE1 3.38Å; L892-R967 HydrophobicContact CD1-CB 4.08Å; L892-R967 HydrophobicContact CD1-CG 4.12Å
893	Y	91.8	Very high	85.3	Confident	3 Å²	3	49.9 Å²	49.9	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	160.4	173.3	48.7	-96.2	0	0	0	111.1	R895 D898 R899 F932 D933 S934 V935	Y893-R895 WeakPolarHBondContact CD2-O 3.29Å; Y893-R895 WeakPolarHBondContact CE2-O 3.5Å; Y893-D898 HydrophobicContact CD2-CB 4.27Å; Y893-D898 HydrophobicContact CG-CB 4.4Å; Y893-R899 HydrophobicContact CE1-CB 4.24Å; Y893-R899 HydrophobicContact CE1-CG 4.2Å; Y893-R899 HydrophobicContact CE2-CB 3.95Å; Y893-R899 WeakPolarHBondContact OH-CD 3.41Å; Y893-R899 WeakPolarHBondContact OH-CG 3.25Å; Y893-F932 HydrophobicContact CD1-CD2 4.3Å; Y893-F932 HydrophobicContact CD1-CE1 4.42Å; Y893-F932 AromaticContact CD1-CE2 3.75Å; Y893-F932 HydrophobicContact CD1-CE2 3.75Å; Y893-F932 AromaticContact CD1-CZ 3.82Å; Y893-F932 HydrophobicContact CD1-CZ 3.82Å; Y893-F932 HydrophobicContact CE1-CD1 4.15Å; Y893-F932 HydrophobicContact CE1-CD2 4.21Å; Y893-F932 AromaticContact CE1-CE1 3.8Å; Y893-F932 HydrophobicContact CE1-CE1 3.8Å; Y893-F932 AromaticContact CE1-CE2 3.88Å; Y893-F932 HydrophobicContact CE1-CE2 3.88Å; Y893-F932 HydrophobicContact CE1-CG 4.34Å; Y893-F932 AromaticContact CE1-CZ 3.67Å; Y893-F932 HydrophobicContact CE1-CZ 3.67Å; Y893-D933 WeakPolarHBondContact CD1-O 3.12Å; Y893-D933 WeakPolarHBondContact CE1-O 3.25Å; Y893-D933 PolarHBondContact N-O 3.42Å; Y893-D933 VanDerWaalsContact N-O 3.11Å; Y893-D933 WeakPolarHBondContact OH-CA 3.32Å; Y893-S934 VanDerWaalsContact CZ-N 3.33Å; Y893-S934 CarbonylContact O-C 3.33Å; Y893-S934 VanDerWaalsContact O-CA 3.24Å; Y893-S934 WeakPolarHBondContact O-CA 3.08Å; Y893-V935 PolarHBondContact O-N 3.46Å
894	R	84.6	Confident	86.3	Confident	35 Å²	35	53.6 Å²	53.6	13%	0.132	24%	0.243	C	C	.	.	S	Bend	trans	-71.7	-54.6	-173.5	-174.5	-179.1	170.7	-177.7	-3.8	112	L949 S953 H960	R894-L949 PolarHBondContact N-O 2.92Å; R894-S953 PolarHBondContact NH1-OG 3.13Å; R894-H960 PolarHBondContact NE-CD2 2.83Å; R894-H960 PolarHBondContact NE-CE1 3.01Å; R894-H960 PolarHBondContact NE-ND1 3.21Å; R894-H960 PolarHBondContact NE-NE2 3.23Å; R894-H960 PolarHBondContact NH2-CE1 3.49Å; R894-H960 PolarHBondContact NH2-NE2 3.41Å
895	R	82.2	Confident	86.8	Confident	128 Å²	128	54 Å²	54	48%	0.483	25%	0.248	S	C	.	.	S	Bend	trans	-121.1	151.8	-174.5	-48	-176.3	173.5	170.5	-0.8	111.9	Y893 E897 D898	Y893-R895 WeakPolarHBondContact CD2-O 3.29Å; Y893-R895 WeakPolarHBondContact CE2-O 3.5Å; R895-E897 WeakPolarHBondContact CB-OE2 3.44Å; R895-E897 PolarHBondContact O-N 2.87Å; R895-E897 VanDerWaalsContact O-N 3.12Å; R895-D898 PolarHBondContact N-OD2 3.02Å; R895-D898 VanDerWaalsContact O-CB 3.31Å; R895-D898 WeakPolarHBondContact O-CB 3.42Å; R895-D898 PolarHBondContact O-N 2.79Å
896	W	79.9	Confident	87.3	Confident	186 Å²	186	49.2 Å²	49.2	71%	0.705	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.4	-177.6	79.4	-86.1	0	0	0	112.7	D898 R899	W896-D898 VanDerWaalsContact C-N 3.28Å; W896-D898 PolarHBondContact O-N 3.44Å; W896-R899 WeakPolarHBondContact O-CB 3.48Å; W896-R899 PolarHBondContact O-N 2.9Å
897	E	81.9	Confident	87.3	Confident	106 Å²	106	51.2 Å²	51.2	50%	0.495	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-32.5	175.8	-60.2	86.3	169.9	0	0	112.4	R895 R899	R895-E897 WeakPolarHBondContact CB-OE2 3.44Å; R895-E897 PolarHBondContact O-N 2.87Å; R895-E897 VanDerWaalsContact O-N 3.12Å; E897-R899 PolarHBondContact O-N 3.44Å
898	D	82.3	Confident	87.3	Confident	14 Å²	14	55.7 Å²	55.7	8%	0.075	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-20.9	179.7	-60.9	-39.8	0	0	0	111.7	Y893 R895 W896 G900 Q901 Y902 T951	Y893-D898 HydrophobicContact CD2-CB 4.27Å; Y893-D898 HydrophobicContact CG-CB 4.4Å; R895-D898 PolarHBondContact N-OD2 3.02Å; R895-D898 VanDerWaalsContact O-CB 3.31Å; R895-D898 WeakPolarHBondContact O-CB 3.42Å; R895-D898 PolarHBondContact O-N 2.79Å; W896-D898 VanDerWaalsContact C-N 3.28Å; W896-D898 PolarHBondContact O-N 3.44Å; D898-G900 VanDerWaalsContact C-N 3.29Å; D898-G900 PolarHBondContact O-N 3.03Å; D898-Q901 WeakPolarHBondContact O-CB 3.5Å; D898-Q901 PolarHBondContact O-N 2.77Å; D898-Q901 VanDerWaalsContact O-N 3.13Å; D898-Y902 HydrophobicContact CB-CD2 4.12Å; D898-Y902 HydrophobicContact CB-CE2 4.03Å; D898-Y902 VanDerWaalsContact O-CD2 3.24Å; D898-Y902 WeakPolarHBondContact O-CD2 3.38Å; D898-Y902 PolarHBondContact O-N 2.85Å; D898-T951 PolarHBondContact OD1-OG1 3.23Å
899	R	85.1	Confident	87.2	Confident	117 Å²	117	55 Å²	55	44%	0.442	25%	0.251	S	S	.	.	H	α-helix	trans	-53.9	-45.7	-178.9	-171.4	-176.4	-174	-168.8	3.3	111.8	Y893 W896 E897 Q901 Y902 K903 F932	Y893-R899 HydrophobicContact CE1-CB 4.24Å; Y893-R899 HydrophobicContact CE1-CG 4.2Å; Y893-R899 HydrophobicContact CE2-CB 3.95Å; Y893-R899 WeakPolarHBondContact OH-CD 3.41Å; Y893-R899 WeakPolarHBondContact OH-CG 3.25Å; W896-R899 WeakPolarHBondContact O-CB 3.48Å; W896-R899 PolarHBondContact O-N 2.9Å; E897-R899 PolarHBondContact O-N 3.44Å; R899-Q901 VanDerWaalsContact C-N 3.3Å; R899-Q901 PolarHBondContact O-N 2.74Å; R899-Y902 PolarHBondContact O-N 3.08Å; R899-K903 WeakPolarHBondContact O-CB 3.5Å; R899-K903 PolarHBondContact O-N 3.43Å; R899-F932 HydrophobicContact CG-CE1 3.91Å
900	G	82	Confident	86.9	Confident	57 Å²	57	55.4 Å²	55.4	59%	0.588	25%	0.253	S	S	*	.	H	α-helix	trans	-64	-35.5	-177.4	0	0	0	0	0	112.8	D898	D898-G900 VanDerWaalsContact C-N 3.29Å; D898-G900 PolarHBondContact O-N 3.03Å
901	Q	81	Confident	86.3	Confident	90 Å²	90	59.2 Å²	59.2	42%	0.421	29%	0.285	S	S	.	.	H	α-helix	trans	-69.6	-40.4	-179	-168.7	180	25.3	0	0	112.1	P865 D898 R899	P865-Q901 HydrophobicContact CB-CG 3.91Å; P865-Q901 HydrophobicContact CG-CG 3.78Å; D898-Q901 WeakPolarHBondContact O-CB 3.5Å; D898-Q901 PolarHBondContact O-N 2.77Å; D898-Q901 VanDerWaalsContact O-N 3.13Å; R899-Q901 VanDerWaalsContact C-N 3.3Å; R899-Q901 PolarHBondContact O-N 2.74Å
902	Y	86.3	Confident	85.3	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-93.9	-36.4	-174.6	-65.8	-66.7	0	0	0	114.2	P865 I868 D898 R899 E904 A905 L906 L949 T951 A977	P865-Y902 HydrophobicContact CB-CD1 4.31Å; P865-Y902 HydrophobicContact CB-CE1 4Å; I868-Y902 HydrophobicContact CB-CE1 4.26Å; I868-Y902 HydrophobicContact CD1-CE1 3.98Å; I868-Y902 HydrophobicContact CG2-CD1 4.29Å; I868-Y902 HydrophobicContact CG2-CE1 3.96Å; D898-Y902 HydrophobicContact CB-CD2 4.12Å; D898-Y902 HydrophobicContact CB-CE2 4.03Å; D898-Y902 VanDerWaalsContact O-CD2 3.24Å; D898-Y902 WeakPolarHBondContact O-CD2 3.38Å; D898-Y902 PolarHBondContact O-N 2.85Å; R899-Y902 PolarHBondContact O-N 3.08Å; Y902-E904 PolarHBondContact O-N 3.14Å; Y902-A905 PolarHBondContact O-N 3.48Å; Y902-L906 WeakPolarHBondContact O-CB 3.21Å; Y902-L906 WeakPolarHBondContact O-CG 3.38Å; Y902-L906 PolarHBondContact O-N 3.46Å; Y902-L949 HydrophobicContact CD1-CD1 3.96Å; Y902-L949 HydrophobicContact CD2-CD1 4.08Å; Y902-L949 HydrophobicContact CE1-CD1 4.35Å; Y902-L949 HydrophobicContact CE2-CB 4.23Å; Y902-L949 HydrophobicContact CE2-CD1 4.48Å; Y902-L949 HydrophobicContact CG-CD1 3.82Å; Y902-T951 HydrophobicContact CE2-CG2 4.37Å; Y902-A977 WeakPolarHBondContact OH-CB 3.25Å
903	K	87.1	Confident	83.9	Confident	72 Å²	72	70.3 Å²	70.3	31%	0.313	34%	0.335	S	S	.	.	H	α-helix	trans	-55.1	-52	-170.3	-170.8	179.9	179.2	-171	0	112.4	R899 L906 L907 F932	R899-K903 WeakPolarHBondContact O-CB 3.5Å; R899-K903 PolarHBondContact O-N 3.43Å; K903-L906 PolarHBondContact O-N 3.33Å; K903-L907 HydrophobicContact CG-CD1 4.13Å; K903-L907 WeakPolarHBondContact O-CB 3.3Å; K903-L907 WeakPolarHBondContact O-CG 3.49Å; K903-L907 PolarHBondContact O-N 2.87Å; K903-F932 HydrophobicContact CB-CE1 3.64Å; K903-F932 HydrophobicContact CB-CZ 4.09Å; K903-F932 HydrophobicContact CD-CE1 4.46Å; K903-F932 HydrophobicContact CG-CD1 4.39Å; K903-F932 HydrophobicContact CG-CE1 3.85Å
904	E	85.5	Confident	82.4	Confident	101 Å²	101	77.7 Å²	77.7	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-67.2	-39.2	-177.6	-71.2	-58.2	138.1	0	0	112.3	Y902 R908	Y902-E904 PolarHBondContact O-N 3.14Å; E904-R908 WeakPolarHBondContact O-CG 3.32Å; E904-R908 PolarHBondContact O-N 2.87Å; E904-R908 IonicContact OE2-NH1 3.38Å
905	A	87.5	Confident	81.6	Confident	16 Å²	16	79.2 Å²	79.2	13%	0.132	39%	0.39	C	S	.	.	H	α-helix	trans	-67.3	-42.4	177.4	0	0	0	0	0	111.5	A869 Y902 A909	A869-A905 HydrophobicContact CB-CB 3.62Å; Y902-A905 PolarHBondContact O-N 3.48Å; A905-A909 VanDerWaalsContact O-CB 3.32Å; A905-A909 WeakPolarHBondContact O-CB 3.48Å; A905-A909 PolarHBondContact O-N 3.31Å
906	L	90	Very high	81.2	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-66.8	-46.1	177.9	-77.4	166.8	0	0	0	111.8	A869 V872 I891 Y902 K903 R908 A909 M910 F919 F932 L949	A869-L906 HydrophobicContact CB-CD2 4.02Å; A869-L906 HydrophobicContact CB-CG 4.1Å; V872-L906 HydrophobicContact CB-CD2 3.73Å; V872-L906 HydrophobicContact CG1-CD2 3.7Å; V872-L906 HydrophobicContact CG2-CD2 4.3Å; I891-L906 HydrophobicContact CG2-CD1 4.09Å; Y902-L906 WeakPolarHBondContact O-CB 3.21Å; Y902-L906 WeakPolarHBondContact O-CG 3.38Å; Y902-L906 PolarHBondContact O-N 3.46Å; K903-L906 PolarHBondContact O-N 3.33Å; L906-R908 VanDerWaalsContact C-N 3.32Å; L906-R908 PolarHBondContact O-N 3.02Å; L906-A909 PolarHBondContact O-N 3.33Å; L906-A909 VanDerWaalsContact O-N 3.15Å; L906-M910 WeakPolarHBondContact O-CB 3.22Å; L906-M910 WeakPolarHBondContact O-CG 3.37Å; L906-M910 PolarHBondContact O-N 3.3Å; L906-F919 HydrophobicContact CB-CE2 3.9Å; L906-F919 HydrophobicContact CB-CZ 4Å; L906-F932 HydrophobicContact CD1-CD2 3.99Å; L906-F932 HydrophobicContact CD1-CE2 3.41Å; L906-F932 VanDerWaalsContact CD1-CE2 3.41Å; L906-F932 HydrophobicContact CD1-CZ 4.07Å; L906-L949 HydrophobicContact CD1-CD1 4.36Å
907	L	87.4	Confident	81.2	Confident	67 Å²	67	74 Å²	74	35%	0.351	38%	0.38	S	S	.	.	H	α-helix	trans	-57.6	-45.9	176.8	-76.8	172	0	0	0	111.3	K903 A909 A911 F919	K903-L907 HydrophobicContact CG-CD1 4.13Å; K903-L907 WeakPolarHBondContact O-CB 3.3Å; K903-L907 WeakPolarHBondContact O-CG 3.49Å; K903-L907 PolarHBondContact O-N 2.87Å; L907-A909 PolarHBondContact O-N 3.12Å; L907-A911 VanDerWaalsContact O-CB 3.27Å; L907-A911 WeakPolarHBondContact O-CB 3.37Å; L907-A911 PolarHBondContact O-N 3.14Å; L907-F919 HydrophobicContact CD2-CD2 3.5Å; L907-F919 VanDerWaalsContact CD2-CD2 3.5Å; L907-F919 HydrophobicContact CD2-CE2 3.67Å; L907-F919 HydrophobicContact CG-CD2 3.92Å; L907-F919 HydrophobicContact CG-CE2 3.89Å
908	R	87.2	Confident	81.4	Confident	153 Å²	153	71.6 Å²	71.6	58%	0.577	38%	0.375	S	S	*	.	H	α-helix	trans	-64.2	-37.9	176.1	-74.3	-169.1	-63.9	-90.7	1.5	113.3	E904 L906	E904-R908 WeakPolarHBondContact O-CG 3.32Å; E904-R908 PolarHBondContact O-N 2.87Å; E904-R908 IonicContact OE2-NH1 3.38Å; L906-R908 VanDerWaalsContact C-N 3.32Å; L906-R908 PolarHBondContact O-N 3.02Å
909	A	87.7	Confident	81.7	Confident	10 Å²	10	72.9 Å²	72.9	8%	0.083	38%	0.38	C	S	.	.	H	α-helix	trans	-71.6	-43.7	179.8	0	0	0	0	0	111.6	A869 A873 A905 L906 L907 R912	A869-A909 HydrophobicContact CB-CB 4.3Å; A869-A909 WeakPolarHBondContact O-CB 3.22Å; A873-A909 HydrophobicContact CB-CB 3.65Å; A905-A909 VanDerWaalsContact O-CB 3.32Å; A905-A909 WeakPolarHBondContact O-CB 3.48Å; A905-A909 PolarHBondContact O-N 3.31Å; L906-A909 PolarHBondContact O-N 3.33Å; L906-A909 VanDerWaalsContact O-N 3.15Å; L907-A909 PolarHBondContact O-N 3.12Å; A909-R912 WeakPolarHBondContact O-CB 3.36Å; A909-R912 PolarHBondContact O-N 3.45Å
910	M	87.1	Confident	82.1	Confident	8 Å²	8	68.8 Å²	68.8	4%	0.039	37%	0.367	C	S	.	.	H	α-helix	trans	-68.9	-32.8	179.6	-66.3	-68.4	-71.8	0	0	112.7	A873 C876 F880 L906 R912 G913 V917 F919	A873-M910 VanDerWaalsContact CA-SD 3.53Å; A873-M910 HydrophobicContact CB-CG 4.32Å; A873-M910 HydrophobicContact CB-SD 3.76Å; C876-M910 HydrophobicContact CB-CE 3.86Å; C876-M910 HydrophobicContact CB-SD 3.97Å; F880-M910 HydrophobicContact CE2-CE 3.99Å; F880-M910 HydrophobicContact CZ-CE 4.32Å; L906-M910 WeakPolarHBondContact O-CB 3.22Å; L906-M910 WeakPolarHBondContact O-CG 3.37Å; L906-M910 PolarHBondContact O-N 3.3Å; M910-R912 PolarHBondContact O-N 2.81Å; M910-R912 VanDerWaalsContact O-N 3.11Å; M910-G913 PolarHBondContact O-N 3.14Å; M910-G913 VanDerWaalsContact O-N 3.09Å; M910-V917 HydrophobicContact CE-CB 3.82Å; M910-V917 HydrophobicContact CE-CG1 3.8Å; M910-V917 HydrophobicContact CE-CG2 3.62Å; M910-F919 HydrophobicContact CG-CZ 3.99Å
911	A	83.8	Confident	82.5	Confident	80 Å²	80	67.9 Å²	67.9	66%	0.661	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.6	177.5	0	0	0	0	0	114.1	L907 G913	L907-A911 VanDerWaalsContact O-CB 3.27Å; L907-A911 WeakPolarHBondContact O-CB 3.37Å; L907-A911 PolarHBondContact O-N 3.14Å; A911-G913 VanDerWaalsContact C-N 3.27Å
912	R	75.6	Confident	82.8	Confident	209 Å²	209	63.6 Å²	63.6	79%	0.789	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-11.4	174.6	-63.4	178.5	179	177.4	-1.9	113	A909 M910	A909-R912 WeakPolarHBondContact O-CB 3.36Å; A909-R912 PolarHBondContact O-N 3.45Å; M910-R912 PolarHBondContact O-N 2.81Å; M910-R912 VanDerWaalsContact O-N 3.11Å
913	G	66.3	Low	82.9	Confident	25 Å²	25	65.2 Å²	65.2	26%	0.258	35%	0.345	S	S	.	.	S	Bend	trans	-86.2	168.7	176.5	0	0	0	0	0	113.9	H877 M910 A911 M915	H877-G913 VanDerWaalsContact CE1-CA 3.43Å; H877-G913 WeakPolarHBondContact CE1-CA 3.07Å; M910-G913 PolarHBondContact O-N 3.14Å; M910-G913 VanDerWaalsContact O-N 3.09Å; A911-G913 VanDerWaalsContact C-N 3.27Å; G913-M915 VanDerWaalsContact C-N 3.33Å
914	T	61.4	Low	82.8	Confident	158 Å²	158	65.9 Å²	65.9	97%	0.969	35%	0.352	S	S	*	.	S	Bend	trans	-77.7	-16.3	178	47.5	0	0	0	0	113.9
915	M	66.9	Low	82.7	Confident	67 Å²	67	61.5 Å²	61.5	33%	0.33	33%	0.332	S	S	.	.	S	Bend	trans	-106.7	125.1	-176.6	-165.5	174.2	74.1	0	0	110.7	F880 P886 G913 V917	F880-M915 HydrophobicContact CB-CE 4.12Å; F880-M915 HydrophobicContact CD1-CE 3.6Å; F880-M915 HydrophobicContact CD2-CE 3.23Å; F880-M915 HydrophobicContact CE1-CE 3.69Å; F880-M915 HydrophobicContact CE2-CE 3.34Å; F880-M915 HydrophobicContact CG-CE 3.37Å; F880-M915 HydrophobicContact CG-SD 4.46Å; F880-M915 HydrophobicContact CZ-CE 3.57Å; P886-M915 HydrophobicContact CG-CE 3.56Å; G913-M915 VanDerWaalsContact C-N 3.33Å; M915-V917 HydrophobicContact CE-CG2 3.91Å; M915-V917 PolarHBondContact O-N 2.73Å
916	E	73.1	Confident	82.3	Confident	182 Å²	182	64.5 Å²	64.5	85%	0.85	35%	0.351	S	S	*	.			trans	-69.3	123.9	172.6	-168.9	176.5	-171.6	0	0	109.6
917	V	80	Confident	82	Confident	21 Å²	21	66.4 Å²	66.4	13%	0.127	37%	0.366	C	S	.	.			trans	-117.7	116.9	-178.5	179.3	0	0	0	0	109.7	F880 M910 M915 F919 V930	F880-V917 HydrophobicContact CE2-CG2 3.85Å; F880-V917 HydrophobicContact CZ-CG2 4.09Å; M910-V917 HydrophobicContact CE-CB 3.82Å; M910-V917 HydrophobicContact CE-CG1 3.8Å; M910-V917 HydrophobicContact CE-CG2 3.62Å; M915-V917 HydrophobicContact CE-CG2 3.91Å; M915-V917 PolarHBondContact O-N 2.73Å; V917-F919 HydrophobicContact CG1-CE1 4.31Å; V917-V930 HydrophobicContact CG1-CB 4.04Å; V917-V930 HydrophobicContact CG1-CG2 3.46Å; V917-V930 VanDerWaalsContact CG1-CG2 3.46Å
918	S	86.5	Confident	81.7	Confident	57 Å²	57	69.2 Å²	69.2	40%	0.399	38%	0.382	S	S	.	.			trans	-80.4	140.7	169.2	51.9	0	0	0	0	110.7	D928 G929 V930	S918-D928 PolarHBondContact OG-O 3.3Å; S918-D928 VanDerWaalsContact OG-O 3.09Å; S918-G929 WeakPolarHBondContact OG-CA 3.49Å; S918-V930 PolarHBondContact O-N 3.45Å
919	F	89.5	Confident	81.8	Confident	41 Å²	41	62 Å²	62	18%	0.18	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.7	170.1	-73.4	-36.7	0	0	0	110.4	I891 L906 L907 M910 V917 V930 F932	I891-F919 HydrophobicContact CD1-CE1 3.89Å; I891-F919 HydrophobicContact CD1-CZ 4.29Å; L906-F919 HydrophobicContact CB-CE2 3.9Å; L906-F919 HydrophobicContact CB-CZ 4Å; L907-F919 HydrophobicContact CD2-CD2 3.5Å; L907-F919 VanDerWaalsContact CD2-CD2 3.5Å; L907-F919 HydrophobicContact CD2-CE2 3.67Å; L907-F919 HydrophobicContact CG-CD2 3.92Å; L907-F919 HydrophobicContact CG-CE2 3.89Å; M910-F919 HydrophobicContact CG-CZ 3.99Å; V917-F919 HydrophobicContact CG1-CE1 4.31Å; F919-V930 WeakPolarHBondContact CA-O 3.06Å; F919-V930 HydrophobicContact CD1-CB 3.84Å; F919-V930 HydrophobicContact CD1-CG1 4.02Å; F919-V930 HydrophobicContact CE1-CB 3.98Å; F919-V930 HydrophobicContact CE1-CG1 3.92Å; F919-F932 HydrophobicContact CB-CB 3.9Å; F919-F932 HydrophobicContact CD1-CB 3.9Å; F919-F932 HydrophobicContact CG-CB 3.9Å; F919-F932 HydrophobicContact CG-CG 4.38Å
920	N	91.8	Very high	82	Confident	31 Å²	31	61.5 Å²	61.5	17%	0.166	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	156.2	-177.1	-65.4	-17.4	0	0	0	110.9	D924 D928 G929 V930 I931 F932	N920-D924 HydrophobicContact CB-CB 4.2Å; N920-D928 PolarHBondContact ND2-O 3.14Å; N920-G929 WeakPolarHBondContact ND2-CA 3.01Å; N920-V930 PolarHBondContact N-O 3.01Å; N920-I931 HydrophobicContact CB-CD1 4.17Å; N920-F932 PolarHBondContact O-N 3.25Å
921	S	91.5	Very high	82.4	Confident	38 Å²	38	61.1 Å²	61.1	27%	0.266	35%	0.349	S	S	.	.			trans	-78.6	165.3	172.1	77.6	0	0	0	0	111.1	A923 D924	S921-A923 PolarHBondContact O-N 3.26Å; S921-A923 PolarHBondContact OG-N 3.02Å; S921-D924 PolarHBondContact O-N 3.49Å; S921-D924 VanDerWaalsContact O-N 3.08Å; S921-D924 PolarHBondContact OG-OD2 2.64Å
922	A	87.4	Confident	82.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-61.8	-27.6	174.1	0	0	0	0	0	113	D924 I925 D933 Q937 F938 M941	A922-D924 PolarHBondContact O-N 2.77Å; A922-I925 PolarHBondContact O-N 3.09Å; A922-D933 HydrophobicContact CB-CB 4.17Å; A922-D933 PolarHBondContact N-OD2 3.47Å; A922-Q937 HydrophobicContact CB-CB 4.1Å; A922-Q937 VanDerWaalsContact CB-O 3.32Å; A922-Q937 WeakPolarHBondContact CB-O 3.48Å; A922-F938 HydrophobicContact CB-CB 4.41Å; A922-F938 HydrophobicContact CB-CD2 3.94Å; A922-M941 HydrophobicContact CB-CE 4.15Å
923	A	87.2	Confident	83.8	Confident	34 Å²	34	48.6 Å²	48.6	28%	0.281	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-66	-25.6	175.6	0	0	0	0	0	112.6	S921 I925	S921-A923 PolarHBondContact O-N 3.26Å; S921-A923 PolarHBondContact OG-N 3.02Å; A923-I925 VanDerWaalsContact C-N 3.35Å; A923-I925 PolarHBondContact O-N 3.32Å
924	D	85.6	Confident	85	Confident	85 Å²	85	47.8 Å²	47.8	46%	0.455	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-98.4	32	179.7	-52.6	-60.3	0	0	0	111.8	N920 S921 A922 C926 A927	N920-D924 HydrophobicContact CB-CB 4.2Å; S921-D924 PolarHBondContact O-N 3.49Å; S921-D924 VanDerWaalsContact O-N 3.08Å; S921-D924 PolarHBondContact OG-OD2 2.64Å; A922-D924 PolarHBondContact O-N 2.77Å; D924-C926 PolarHBondContact O-N 2.83Å; D924-A927 HydrophobicContact CB-CB 4.13Å; D924-A927 VanDerWaalsContact O-CB 3.28Å; D924-A927 WeakPolarHBondContact O-CB 3.27Å; D924-A927 PolarHBondContact O-N 3.43Å
925	I	83.8	Confident	86.4	Confident	10 Å²	10	40.3 Å²	40.3	5%	0.051	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27	-174.3	-171.3	167.4	0	0	0	114.3	F710 A922 A923 F938 M941 R943	F710-I925 HydrophobicContact CB-CG2 4.15Å; F710-I925 HydrophobicContact CD2-CD1 4.47Å; F710-I925 HydrophobicContact CD2-CG2 3.57Å; F710-I925 HydrophobicContact CE2-CG2 4.41Å; F710-I925 HydrophobicContact CG-CG2 4.23Å; A922-I925 PolarHBondContact O-N 3.09Å; A923-I925 VanDerWaalsContact C-N 3.35Å; A923-I925 PolarHBondContact O-N 3.32Å; I925-F938 HydrophobicContact CD1-CE2 3.74Å; I925-F938 HydrophobicContact CD1-CZ 4.02Å; I925-F938 HydrophobicContact CG1-CE2 4.34Å; I925-M941 HydrophobicContact CB-SD 4.11Å; I925-M941 HydrophobicContact CD1-CB 3.58Å; I925-M941 HydrophobicContact CD1-CG 3.56Å; I925-M941 HydrophobicContact CD1-SD 3.38Å; I925-M941 WeakPolarHBondContact CD1-SD 3.29Å; I925-M941 HydrophobicContact CG1-SD 4.31Å; I925-M941 HydrophobicContact CG2-SD 4.07Å; I925-R943 PolarHBondContact O-NH2 3.4Å
926	C	78.9	Confident	87.3	Confident	79 Å²	79	41.5 Å²	41.5	53%	0.534	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.2	177.6	-70.4	0	0	0	0	114	Q713 D924	Q713-C926 PolarHBondContact OE1-SG 2.86Å; D924-C926 PolarHBondContact O-N 2.83Å
927	A	82.6	Confident	88	Confident	40 Å²	40	35.8 Å²	35.8	33%	0.331	21%	0.209	S	C	.	.	S	Bend	trans	-79.5	150.2	175.6	0	0	0	0	0	111.9	D924 G929	D924-A927 HydrophobicContact CB-CB 4.13Å; D924-A927 VanDerWaalsContact O-CB 3.28Å; D924-A927 WeakPolarHBondContact O-CB 3.27Å; D924-A927 PolarHBondContact O-N 3.43Å; A927-G929 PolarHBondContact O-N 3.09Å
928	D	81.9	Confident	88.6	Confident	125 Å²	125	34.8 Å²	34.8	67%	0.668	20%	0.203	S	C	*	.	S	Bend	trans	-68.6	112.4	173	-70.2	-34.4	0	0	0	109.7	Q887 S918 N920	Q887-D928 PolarHBondContact OE1-OD1 2.61Å; S918-D928 PolarHBondContact OG-O 3.3Å; S918-D928 VanDerWaalsContact OG-O 3.09Å; N920-D928 PolarHBondContact ND2-O 3.14Å
929	G	88.6	Confident	88.6	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.01	19%	0.185	C	C	.	.	S	Bend	trans	160.1	168.1	177.5	0	0	0	0	0	113.1	P886 Q887 S918 N920 A927	P886-G929 CarbonylContact C-O 3.56Å; Q887-G929 WeakPolarHBondContact CA-O 3.49Å; Q887-G929 PolarHBondContact N-O 3.4Å; S918-G929 WeakPolarHBondContact OG-CA 3.49Å; N920-G929 WeakPolarHBondContact ND2-CA 3.01Å; A927-G929 PolarHBondContact O-N 3.09Å
930	V	93.3	Very high	88.5	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131.5	174.5	174.3	0	0	0	0	108.5	P886 I889 I891 V917 S918 F919 N920 F932	P886-V930 HydrophobicContact CB-CG2 3.9Å; P886-V930 WeakPolarHBondContact O-CA 3.46Å; I889-V930 HydrophobicContact CB-CG1 4.25Å; I889-V930 HydrophobicContact CB-CG2 4.18Å; I889-V930 HydrophobicContact CG2-CG1 3.98Å; I891-V930 HydrophobicContact CD1-CG1 3.69Å; I891-V930 HydrophobicContact CG1-CG1 3.86Å; V917-V930 HydrophobicContact CG1-CB 4.04Å; V917-V930 HydrophobicContact CG1-CG2 3.46Å; V917-V930 VanDerWaalsContact CG1-CG2 3.46Å; S918-V930 PolarHBondContact O-N 3.45Å; F919-V930 WeakPolarHBondContact CA-O 3.06Å; F919-V930 HydrophobicContact CD1-CB 3.84Å; F919-V930 HydrophobicContact CD1-CG1 4.02Å; F919-V930 HydrophobicContact CE1-CB 3.98Å; F919-V930 HydrophobicContact CE1-CG1 3.92Å; N920-V930 PolarHBondContact N-O 3.01Å; V930-F932 PolarHBondContact O-N 3.46Å
931	I	94.9	Very high	88.4	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.2	173.3	-55.9	-61	0	0	0	108.6	I889 A890 I891 N920 D933 F938	I889-I931 PolarHBondContact O-N 2.91Å; I889-I931 VanDerWaalsContact O-N 3.14Å; A890-I931 CarbonylContact C-O 3.49Å; A890-I931 WeakPolarHBondContact CA-O 3.47Å; A890-I931 HydrophobicContact CB-CB 4Å; I891-I931 PolarHBondContact N-O 3.46Å; N920-I931 HydrophobicContact CB-CD1 4.17Å; I931-D933 HydrophobicContact CG2-CB 4.36Å; I931-F938 HydrophobicContact CB-CE2 4.29Å; I931-F938 HydrophobicContact CG1-CE2 4.07Å; I931-F938 HydrophobicContact CG2-CD2 3.71Å; I931-F938 HydrophobicContact CG2-CE2 3.85Å
932	F	94.6	Very high	88.5	Confident	5 Å²	5	30.4 Å²	30.4	2%	0.022	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	91.3	176.3	-179.2	-107.5	0	0	0	110.1	I891 Y893 R899 K903 L906 F919 N920 V930	I891-F932 HydrophobicContact CB-CD2 3.94Å; I891-F932 HydrophobicContact CG2-CD2 3.75Å; I891-F932 HydrophobicContact CG2-CE2 3.99Å; I891-F932 WeakPolarHBondContact O-CA 3.42Å; Y893-F932 HydrophobicContact CD1-CD2 4.3Å; Y893-F932 HydrophobicContact CD1-CE1 4.42Å; Y893-F932 AromaticContact CD1-CE2 3.75Å; Y893-F932 HydrophobicContact CD1-CE2 3.75Å; Y893-F932 AromaticContact CD1-CZ 3.82Å; Y893-F932 HydrophobicContact CD1-CZ 3.82Å; Y893-F932 HydrophobicContact CE1-CD1 4.15Å; Y893-F932 HydrophobicContact CE1-CD2 4.21Å; Y893-F932 AromaticContact CE1-CE1 3.8Å; Y893-F932 HydrophobicContact CE1-CE1 3.8Å; Y893-F932 AromaticContact CE1-CE2 3.88Å; Y893-F932 HydrophobicContact CE1-CE2 3.88Å; Y893-F932 HydrophobicContact CE1-CG 4.34Å; Y893-F932 AromaticContact CE1-CZ 3.67Å; Y893-F932 HydrophobicContact CE1-CZ 3.67Å; R899-F932 HydrophobicContact CG-CE1 3.91Å; K903-F932 HydrophobicContact CB-CE1 3.64Å; K903-F932 HydrophobicContact CB-CZ 4.09Å; K903-F932 HydrophobicContact CD-CE1 4.46Å; K903-F932 HydrophobicContact CG-CD1 4.39Å; K903-F932 HydrophobicContact CG-CE1 3.85Å; L906-F932 HydrophobicContact CD1-CD2 3.99Å; L906-F932 HydrophobicContact CD1-CE2 3.41Å; L906-F932 VanDerWaalsContact CD1-CE2 3.41Å; L906-F932 HydrophobicContact CD1-CZ 4.07Å; F919-F932 HydrophobicContact CB-CB 3.9Å; F919-F932 HydrophobicContact CD1-CB 3.9Å; F919-F932 HydrophobicContact CG-CB 3.9Å; F919-F932 HydrophobicContact CG-CG 4.38Å; N920-F932 PolarHBondContact O-N 3.25Å; V930-F932 PolarHBondContact O-N 3.46Å
933	D	94.1	Very high	88.7	Confident	22 Å²	22	32.2 Å²	32.2	12%	0.118	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	174	-172.5	-141.9	-38.1	0	0	0	112.1	I891 L892 Y893 A922 I931 Q937	I891-D933 PolarHBondContact O-N 3.46Å; L892-D933 VanDerWaalsContact CA-O 3.28Å; L892-D933 WeakPolarHBondContact CA-O 3.48Å; Y893-D933 WeakPolarHBondContact CD1-O 3.12Å; Y893-D933 WeakPolarHBondContact CE1-O 3.25Å; Y893-D933 PolarHBondContact N-O 3.42Å; Y893-D933 VanDerWaalsContact N-O 3.11Å; Y893-D933 WeakPolarHBondContact OH-CA 3.32Å; A922-D933 HydrophobicContact CB-CB 4.17Å; A922-D933 PolarHBondContact N-OD2 3.47Å; I931-D933 HydrophobicContact CG2-CB 4.36Å; D933-Q937 HydrophobicContact CB-CB 4.47Å; D933-Q937 WeakPolarHBondContact OD1-CB 3.14Å
934	S	91.8	Very high	88.8	Confident	7 Å²	7	31.7 Å²	31.7	5%	0.049	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	148.6	172	65.9	0	0	0	0	111.1	Y893 E936 Q937 F938	Y893-S934 VanDerWaalsContact CZ-N 3.33Å; Y893-S934 CarbonylContact O-C 3.33Å; Y893-S934 VanDerWaalsContact O-CA 3.24Å; Y893-S934 WeakPolarHBondContact O-CA 3.08Å; S934-E936 PolarHBondContact O-N 3.45Å; S934-E936 VanDerWaalsContact O-N 3.1Å; S934-Q937 PolarHBondContact O-N 3.32Å; S934-Q937 VanDerWaalsContact O-N 3.08Å; S934-Q937 WeakPolarHBondContact OG-CG 3.26Å; S934-Q937 PolarHBondContact OG-N 3.1Å; S934-Q937 VanDerWaalsContact OG-N 3.12Å; S934-F938 PolarHBondContact O-N 3.03Å
935	V	89.6	Confident	89.2	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.006	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.2	173.6	70.5	0	0	0	0	112.6	R783 L892 Y893 C963 F964 R967	R783-V935 PolarHBondContact NH2-O 3.49Å; L892-V935 HydrophobicContact CB-CB 4.45Å; L892-V935 HydrophobicContact CD1-CG2 4.4Å; Y893-V935 PolarHBondContact O-N 3.46Å; V935-C963 HydrophobicContact CG2-CB 3.93Å; V935-F964 HydrophobicContact CB-CD1 4.2Å; V935-F964 HydrophobicContact CB-CE1 3.77Å; V935-F964 HydrophobicContact CB-CZ 4.47Å; V935-F964 HydrophobicContact CG1-CE1 4.32Å; V935-F964 HydrophobicContact CG2-CD1 3.9Å; V935-F964 HydrophobicContact CG2-CE1 4Å; V935-R967 PolarHBondContact O-NH1 2.95Å
936	E	85.9	Confident	89.8	Confident	93 Å²	93	27.2 Å²	27.2	44%	0.435	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-48.2	171.3	-172.4	-175.7	158.7	0	0	112.4	N704 R783 S934 F938 S939	N704-E936 PolarHBondContact ND2-O 3.33Å; R783-E936 VanDerWaalsContact NH1-CA 3.33Å; S934-E936 PolarHBondContact O-N 3.45Å; S934-E936 VanDerWaalsContact O-N 3.1Å; E936-F938 PolarHBondContact O-N 3.24Å; E936-S939 WeakPolarHBondContact O-CB 3.46Å; E936-S939 PolarHBondContact O-N 3.37Å
937	Q	89.1	Confident	90.7	Very high	62 Å²	62	23.4 Å²	23.4	29%	0.29	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-28.1	177.6	-68.6	-57.4	-26.2	0	0	112.3	N704 S706 A922 D933 S934 S939 M941	N704-Q937 PolarHBondContact ND2-OE1 3.28Å; N704-Q937 PolarHBondContact OD1-OE1 3.36Å; S706-Q937 WeakPolarHBondContact CB-O 3.42Å; S706-Q937 PolarHBondContact OG-OE1 3.09Å; A922-Q937 HydrophobicContact CB-CB 4.1Å; A922-Q937 VanDerWaalsContact CB-O 3.32Å; A922-Q937 WeakPolarHBondContact CB-O 3.48Å; D933-Q937 HydrophobicContact CB-CB 4.47Å; D933-Q937 WeakPolarHBondContact OD1-CB 3.14Å; S934-Q937 PolarHBondContact O-N 3.32Å; S934-Q937 VanDerWaalsContact O-N 3.08Å; S934-Q937 WeakPolarHBondContact OG-CG 3.26Å; S934-Q937 PolarHBondContact OG-N 3.1Å; S934-Q937 VanDerWaalsContact OG-N 3.12Å; Q937-S939 PolarHBondContact O-N 2.95Å; Q937-S939 VanDerWaalsContact O-N 3.13Å; Q937-M941 WeakPolarHBondContact O-CE 3.01Å
938	F	91.5	Very high	91.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	25.7	177	-158.5	-111.8	0	0	0	114.2	A890 L892 A922 I925 I931 S934 E936 M941 R943 R967	A890-F938 HydrophobicContact CB-CE1 4.2Å; A890-F938 HydrophobicContact CB-CZ 4.24Å; L892-F938 HydrophobicContact CD1-CB 4.28Å; L892-F938 HydrophobicContact CD1-CD1 3.62Å; L892-F938 HydrophobicContact CD1-CE1 4.39Å; L892-F938 HydrophobicContact CD1-CG 4.22Å; L892-F938 HydrophobicContact CD2-CB 3.61Å; L892-F938 HydrophobicContact CD2-CD1 3.9Å; L892-F938 HydrophobicContact CD2-CD2 4.39Å; L892-F938 HydrophobicContact CD2-CG 3.69Å; L892-F938 HydrophobicContact CG-CD1 4.37Å; A922-F938 HydrophobicContact CB-CB 4.41Å; A922-F938 HydrophobicContact CB-CD2 3.94Å; I925-F938 HydrophobicContact CD1-CE2 3.74Å; I925-F938 HydrophobicContact CD1-CZ 4.02Å; I925-F938 HydrophobicContact CG1-CE2 4.34Å; I931-F938 HydrophobicContact CB-CE2 4.29Å; I931-F938 HydrophobicContact CG1-CE2 4.07Å; I931-F938 HydrophobicContact CG2-CD2 3.71Å; I931-F938 HydrophobicContact CG2-CE2 3.85Å; S934-F938 PolarHBondContact O-N 3.03Å; E936-F938 PolarHBondContact O-N 3.24Å; F938-M941 HydrophobicContact CD1-CB 4.27Å; F938-M941 HydrophobicContact CD2-CB 4.13Å; F938-M941 HydrophobicContact CD2-CE 4.33Å; F938-M941 HydrophobicContact CE1-CB 3.95Å; F938-M941 WeakPolarHBondContact CE1-O 3.33Å; F938-M941 HydrophobicContact CE2-CB 3.8Å; F938-M941 HydrophobicContact CE2-SD 4.45Å; F938-M941 HydrophobicContact CG-CB 4.34Å; F938-M941 HydrophobicContact CZ-CB 3.68Å; F938-R943 HydrophobicContact CE1-CG 4.44Å; F938-R943 HydrophobicContact CZ-CG 3.89Å; F938-R967 HydrophobicContact CD1-CB 4.26Å; F938-R967 HydrophobicContact CD1-CG 4.26Å; F938-R967 HydrophobicContact CE1-CB 4.32Å; F938-R967 PolarHBondContact O-NH1 2.93Å
939	S	87.6	Confident	91.8	Very high	4 Å²	4	15.6 Å²	15.6	3%	0.028	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	145.2	-173.7	-134.6	0	0	0	0	115.1	E740 E936 Q937 M941 R967	E740-S939 PolarHBondContact OE1-OG 3.49Å; E740-S939 WeakPolarHBondContact OE2-CB 3.43Å; E740-S939 PolarHBondContact OE2-OG 3.45Å; E936-S939 WeakPolarHBondContact O-CB 3.46Å; E936-S939 PolarHBondContact O-N 3.37Å; Q937-S939 PolarHBondContact O-N 2.95Å; Q937-S939 VanDerWaalsContact O-N 3.13Å; S939-M941 VanDerWaalsContact O-CE 3.3Å; S939-M941 WeakPolarHBondContact O-CE 3.43Å; S939-M941 PolarHBondContact O-N 3.21Å; S939-R967 VanDerWaalsContact CA-NH1 3.28Å; S939-R967 PolarHBondContact OG-NH2 2.84Å; S939-R967 VanDerWaalsContact OG-NH2 3.16Å
940	G	86	Confident	91.6	Very high	15 Å²	15	16.2 Å²	16.2	16%	0.155	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	-15	-174.6	0	0	0	0	0	116.5	T677 E740	T677-G940 WeakPolarHBondContact OG1-CA 3.4Å; E740-G940 VanDerWaalsContact OE1-CA 3.3Å; E740-G940 WeakPolarHBondContact OE1-CA 2.91Å; E740-G940 PolarHBondContact OE1-N 3.36Å
941	M	91.5	Very high	90.7	Very high	2 Å²	2	18 Å²	18	1%	0.01	10%	0.097	C	C	.	.			trans	-92.9	156.5	-173.4	-68.5	172.9	-79.2	0	0	112.1	F710 A922 I925 Q937 F938 S939 R967	F710-M941 HydrophobicContact CB-CG 4.48Å; F710-M941 HydrophobicContact CB-SD 3.99Å; F710-M941 HydrophobicContact CD1-CG 4.03Å; F710-M941 HydrophobicContact CE1-CG 4.46Å; F710-M941 HydrophobicContact CG-CG 4.14Å; F710-M941 HydrophobicContact CG-SD 4.18Å; A922-M941 HydrophobicContact CB-CE 4.15Å; I925-M941 HydrophobicContact CB-SD 4.11Å; I925-M941 HydrophobicContact CD1-CB 3.58Å; I925-M941 HydrophobicContact CD1-CG 3.56Å; I925-M941 HydrophobicContact CD1-SD 3.38Å; I925-M941 WeakPolarHBondContact CD1-SD 3.29Å; I925-M941 HydrophobicContact CG1-SD 4.31Å; I925-M941 HydrophobicContact CG2-SD 4.07Å; Q937-M941 WeakPolarHBondContact O-CE 3.01Å; F938-M941 HydrophobicContact CD1-CB 4.27Å; F938-M941 HydrophobicContact CD2-CB 4.13Å; F938-M941 HydrophobicContact CD2-CE 4.33Å; F938-M941 HydrophobicContact CE1-CB 3.95Å; F938-M941 WeakPolarHBondContact CE1-O 3.33Å; F938-M941 HydrophobicContact CE2-CB 3.8Å; F938-M941 HydrophobicContact CE2-SD 4.45Å; F938-M941 HydrophobicContact CG-CB 4.34Å; F938-M941 HydrophobicContact CZ-CB 3.68Å; S939-M941 VanDerWaalsContact O-CE 3.3Å; S939-M941 WeakPolarHBondContact O-CE 3.43Å; S939-M941 PolarHBondContact O-N 3.21Å; M941-R967 WeakPolarHBondContact O-CD 3.33Å
942	V	92.7	Very high	89	Confident	53 Å²	53	22.3 Å²	22.3	32%	0.321	12%	0.117	S	C	.	.			trans	-141.5	154	-172	-54.9	0	0	0	0	111.5	R967 V969	V942-R967 CarbonylContact C-O 3.59Å; V942-R967 VanDerWaalsContact CA-O 3.25Å; V942-R967 WeakPolarHBondContact CA-O 3.39Å; V942-R967 WeakPolarHBondContact CB-O 3.31Å; V942-V969 HydrophobicContact CB-CG2 4.38Å; V942-V969 HydrophobicContact CG2-CG2 4.27Å
943	R	92.2	Very high	87	Confident	39 Å²	39	23.9 Å²	23.9	15%	0.147	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	159.1	171.8	-75.3	-54.2	-169.5	-160.2	5.5	111.5	Q887 A890 I925 F938 I945 V946 R967 A968 V969	Q887-R943 WeakPolarHBondContact O-CD 3.49Å; Q887-R943 PolarHBondContact O-NE 2.98Å; Q887-R943 PolarHBondContact O-NH1 3.39Å; Q887-R943 PolarHBondContact O-NH2 3.21Å; A890-R943 HydrophobicContact CB-CB 4.08Å; A890-R943 HydrophobicContact CB-CG 3.66Å; I925-R943 PolarHBondContact O-NH2 3.4Å; F938-R943 HydrophobicContact CE1-CG 4.44Å; F938-R943 HydrophobicContact CZ-CG 3.89Å; R943-I945 VanDerWaalsContact C-N 3.25Å; R943-I945 WeakPolarHBondContact CB-O 3.5Å; R943-I945 PolarHBondContact O-N 3.06Å; R943-V946 HydrophobicContact CB-CG2 4.25Å; R943-R967 PolarHBondContact N-O 3.39Å; R943-A968 CarbonylContact O-C 3.53Å; R943-V969 PolarHBondContact O-N 2.88Å
944	N	89.4	Confident	84.7	Confident	23 Å²	23	28.2 Å²	28.2	12%	0.123	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	-40.9	176.8	-69.9	-2.3	0	0	0	110.9	C642 D888 K970 H971	C642-N944 PolarHBondContact SG-ND2 2.81Å; C642-N944 VanDerWaalsContact SG-ND2 3.4Å; C642-N944 PolarHBondContact SG-OD1 3.16Å; D888-N944 HydrophobicContact CB-CB 4.31Å; D888-N944 PolarHBondContact O-N 2.83Å; N944-K970 PolarHBondContact O-N 3.4Å; N944-H971 PolarHBondContact O-N 2.88Å
945	I	93.5	Very high	82.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.6	179.2	-62.1	143	0	0	0	109.2	L879 Y884 D888 I889 A890 R943 F947 H971 Y973	L879-I945 HydrophobicContact CD1-CD1 4.06Å; L879-I945 HydrophobicContact CD1-CG1 4.42Å; L879-I945 HydrophobicContact CD1-CG2 3.96Å; L879-I945 HydrophobicContact CD2-CD1 4.08Å; L879-I945 HydrophobicContact CG-CD1 4.46Å; Y884-I945 HydrophobicContact CD1-CD1 3.41Å; Y884-I945 VanDerWaalsContact CD1-CD1 3.41Å; Y884-I945 HydrophobicContact CD1-CG1 4.48Å; Y884-I945 HydrophobicContact CD2-CD1 3.9Å; Y884-I945 HydrophobicContact CE1-CD1 3.8Å; Y884-I945 HydrophobicContact CE1-CG1 4.46Å; Y884-I945 HydrophobicContact CE2-CD1 4.25Å; Y884-I945 HydrophobicContact CG-CD1 3.46Å; Y884-I945 VanDerWaalsContact CG-CD1 3.46Å; D888-I945 PolarHBondContact O-N 3.19Å; I889-I945 WeakPolarHBondContact CA-O 3.43Å; I889-I945 HydrophobicContact CD1-CD1 4.47Å; I889-I945 HydrophobicContact CG1-CB 4.12Å; I889-I945 HydrophobicContact CG1-CD1 3.94Å; I889-I945 HydrophobicContact CG1-CG2 4.37Å; I889-I945 HydrophobicContact CG2-CG2 4.29Å; A890-I945 PolarHBondContact N-O 3.4Å; R943-I945 VanDerWaalsContact C-N 3.25Å; R943-I945 WeakPolarHBondContact CB-O 3.5Å; R943-I945 PolarHBondContact O-N 3.06Å; I945-F947 HydrophobicContact CG2-CD2 4.12Å; I945-F947 HydrophobicContact CG2-CE2 3.63Å; I945-F947 HydrophobicContact CG2-CZ 4.31Å; I945-H971 CarbonylContact C-O 3.4Å; I945-H971 WeakPolarHBondContact CA-O 3.38Å; I945-H971 HydrophobicContact CB-CB 4.29Å; I945-H971 HydrophobicContact CG1-CB 3.78Å; I945-H971 HydrophobicContact CG2-CB 4.23Å; I945-Y973 HydrophobicContact CG2-CD2 4.11Å; I945-Y973 HydrophobicContact CG2-CE2 3.84Å
946	V	97	Very high	80.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.3	173.2	176.6	0	0	0	0	110.5	A890 L892 R943 R967 A968 H971 L972 Y973	A890-V946 HydrophobicContact CB-CG2 4.44Å; A890-V946 CarbonylContact O-C 3.5Å; A890-V946 VanDerWaalsContact O-CA 3.29Å; A890-V946 WeakPolarHBondContact O-CA 3.22Å; L892-V946 HydrophobicContact CD1-CG1 3.87Å; L892-V946 HydrophobicContact CG-CG1 4.25Å; R943-V946 HydrophobicContact CB-CG2 4.25Å; V946-R967 HydrophobicContact CG2-CB 4.19Å; V946-R967 WeakPolarHBondContact CG2-O 3.49Å; V946-A968 HydrophobicContact CB-CB 3.89Å; V946-A968 HydrophobicContact CG2-CB 3.84Å; V946-H971 PolarHBondContact N-O 2.79Å; V946-L972 HydrophobicContact CB-CD1 4.23Å; V946-L972 HydrophobicContact CG1-CD1 4.29Å; V946-L972 WeakPolarHBondContact O-CA 3.49Å; V946-Y973 PolarHBondContact O-N 2.83Å
947	F	97.6	Very high	79	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.9	164.5	-64.2	-95	0	0	0	108.4	V872 K875 L879 I889 A890 I891 L892 I945 L949 Y973 L975	V872-F947 HydrophobicContact CB-CD1 4.39Å; V872-F947 HydrophobicContact CG1-CD1 4.19Å; V872-F947 HydrophobicContact CG1-CD2 4.44Å; V872-F947 HydrophobicContact CG1-CE1 4.34Å; V872-F947 HydrophobicContact CG1-CG 4.24Å; V872-F947 HydrophobicContact CG2-CD1 3.82Å; V872-F947 HydrophobicContact CG2-CE1 4.34Å; V872-F947 HydrophobicContact CG2-CG 4.33Å; K875-F947 HydrophobicContact CB-CE1 3.9Å; K875-F947 HydrophobicContact CB-CZ 3.88Å; L879-F947 HydrophobicContact CD1-CE2 4.34Å; L879-F947 HydrophobicContact CD1-CZ 4.04Å; I889-F947 HydrophobicContact CG2-CD2 3.8Å; I889-F947 HydrophobicContact CG2-CE2 3.75Å; A890-F947 PolarHBondContact O-N 3.13Å; I891-F947 HydrophobicContact CB-CB 4.44Å; I891-F947 HydrophobicContact CG1-CB 4.16Å; I891-F947 HydrophobicContact CG1-CD2 4Å; I891-F947 HydrophobicContact CG1-CG 4.36Å; I891-F947 HydrophobicContact CG2-CB 4.33Å; L892-F947 PolarHBondContact N-O 3.01Å; I945-F947 HydrophobicContact CG2-CD2 4.12Å; I945-F947 HydrophobicContact CG2-CE2 3.63Å; I945-F947 HydrophobicContact CG2-CZ 4.31Å; F947-L949 HydrophobicContact CB-CD2 4.48Å; F947-Y973 CarbonylContact C-O 3.47Å; F947-Y973 WeakPolarHBondContact CA-O 3.41Å; F947-Y973 VanDerWaalsContact CD1-CB 3.44Å; F947-Y973 AromaticContact CD1-CD2 3.8Å; F947-Y973 HydrophobicContact CD1-CD2 3.8Å; F947-Y973 AromaticContact CD1-CG 3.8Å; F947-Y973 HydrophobicContact CD1-CG 3.8Å; F947-Y973 HydrophobicContact CD2-CD2 4.43Å; F947-Y973 HydrophobicContact CE1-CD1 4.31Å; F947-Y973 AromaticContact CE1-CD2 3.45Å; F947-Y973 HydrophobicContact CE1-CD2 3.45Å; F947-Y973 VanDerWaalsContact CE1-CD2 3.45Å; F947-Y973 HydrophobicContact CE1-CE2 4.11Å; F947-Y973 AromaticContact CE1-CG 3.58Å; F947-Y973 HydrophobicContact CE1-CG 3.58Å; F947-Y973 HydrophobicContact CE2-CD2 4.13Å; F947-Y973 HydrophobicContact CE2-CE2 4.48Å; F947-Y973 HydrophobicContact CG-CD2 4.28Å; F947-Y973 AromaticContact CZ-CD2 3.63Å; F947-Y973 HydrophobicContact CZ-CD2 3.63Å; F947-Y973 AromaticContact CZ-CE2 3.92Å; F947-Y973 HydrophobicContact CZ-CE2 3.92Å; F947-Y973 HydrophobicContact CZ-CG 4.23Å; F947-L975 HydrophobicContact CD1-CD1 4.31Å
948	G	95	Very high	77.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	114.6	174.1	0	0	0	0	0	110.7	Y973 L975	G948-Y973 PolarHBondContact N-O 3.11Å; G948-L975 PolarHBondContact O-N 2.84Å
949	L	93	Very high	76.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.6	-179.2	-48.1	-172.8	0	0	0	109.5	I868 V872 I891 L892 R894 Y902 L906 F947 L975	I868-L949 HydrophobicContact CG2-CD1 4.42Å; I868-L949 HydrophobicContact CG2-CD2 3.68Å; V872-L949 HydrophobicContact CG2-CD2 4.25Å; I891-L949 HydrophobicContact CG2-CD1 3.68Å; I891-L949 HydrophobicContact CG2-CG 4.07Å; L892-L949 PolarHBondContact O-N 3.37Å; R894-L949 PolarHBondContact N-O 2.92Å; Y902-L949 HydrophobicContact CD1-CD1 3.96Å; Y902-L949 HydrophobicContact CD2-CD1 4.08Å; Y902-L949 HydrophobicContact CE1-CD1 4.35Å; Y902-L949 HydrophobicContact CE2-CB 4.23Å; Y902-L949 HydrophobicContact CE2-CD1 4.48Å; Y902-L949 HydrophobicContact CG-CD1 3.82Å; L906-L949 HydrophobicContact CD1-CD1 4.36Å; F947-L949 HydrophobicContact CB-CD2 4.48Å; L949-L975 WeakPolarHBondContact CA-O 3.48Å; L949-L975 HydrophobicContact CD2-CB 4Å; L949-L975 HydrophobicContact CD2-CD1 3.84Å; L949-L975 HydrophobicContact CD2-CG 4.32Å
950	S	83.8	Confident	75.8	Confident	15 Å²	15	40.6 Å²	40.6	11%	0.105	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.7	177.5	-61.3	0	0	0	0	110.6	F964 L975 E976 A977	S950-F964 WeakPolarHBondContact OG-CE2 3.37Å; S950-L975 PolarHBondContact N-O 2.7Å; S950-E976 CarbonylContact O-C 3.39Å; S950-E976 WeakPolarHBondContact O-CA 3.38Å; S950-A977 PolarHBondContact O-N 3.43Å
951	T	74.7	Confident	75.9	Confident	36 Å²	36	42.1 Å²	42.1	22%	0.221	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.5	161.3	44.8	0	0	0	0	107.1	D898 Y902 S953 A977	D898-T951 PolarHBondContact OD1-OG1 3.23Å; Y902-T951 HydrophobicContact CE2-CG2 4.37Å; T951-S953 PolarHBondContact O-N 2.87Å; T951-A977 HydrophobicContact CG2-CB 4.3Å
952	E	58.7	Low	75.8	Confident	91 Å²	91	42 Å²	42	43%	0.425	23%	0.232	S	C	.	.			trans	-56.8	132.4	176.4	-93.3	-173.2	150.2	0	0	109.2	A977 I979	E952-A977 PolarHBondContact N-O 3.39Å; E952-I979 HydrophobicContact CB-CD1 3.99Å; E952-I979 HydrophobicContact CB-CG1 3.74Å; E952-I979 VanDerWaalsContact O-CD1 3.25Å; E952-I979 WeakPolarHBondContact O-CD1 3.28Å; E952-I979 WeakPolarHBondContact O-CG1 3.17Å
953	S	51.3	Low	75.7	Confident	38 Å²	38	39.6 Å²	39.6	27%	0.266	22%	0.217	S	C	.	.			trans	-122.5	136.7	168.3	68.1	0	0	0	0	107.2	R894 T951 H955 S956	R894-S953 PolarHBondContact NH1-OG 3.13Å; T951-S953 PolarHBondContact O-N 2.87Å; S953-H955 PolarHBondContact O-N 3.02Å; S953-S956 PolarHBondContact O-N 3.49Å
954	V	46.3	Very low	75.7	Confident	114 Å²	114	37.7 Å²	37.7	69%	0.691	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-19.5	-179.3	-175.9	0	0	0	0	113.3	I979	V954-I979 HydrophobicContact CG2-CD1 4Å
955	H	46	Very low	75.9	Confident	164 Å²	164	36.6 Å²	36.6	76%	0.759	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.1	51.7	175.4	-59.7	-55	0	0	0	112.4	S953 E957	S953-H955 PolarHBondContact O-N 3.02Å; H955-E957 PolarHBondContact O-N 3.06Å
956	S	48.4	Very low	75.9	Confident	76 Å²	76	37.1 Å²	37.1	53%	0.531	21%	0.208	S	C	.	.			trans	-66.7	92.4	175.4	165.6	0	0	0	0	110.8	S953 G958	S953-S956 PolarHBondContact O-N 3.49Å; S956-G958 PolarHBondContact O-N 3.25Å; S956-G958 VanDerWaalsContact O-N 3.09Å
957	E	53.3	Low	75.7	Confident	105 Å²	105	37.5 Å²	37.5	49%	0.491	21%	0.21	S	C	.	.			trans	-53.9	111.4	155.9	-72.7	175.8	159.5	0	0	107.6	H955 V959 H960	H955-E957 PolarHBondContact O-N 3.06Å; E957-V959 PolarHBondContact O-N 3.23Å; E957-H960 PolarHBondContact O-CD2 3.4Å; E957-H960 PolarHBondContact O-NE2 3.01Å
958	G	56.9	Low	75.6	Confident	34 Å²	34	37.6 Å²	37.6	35%	0.351	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	1.7	-166.7	0	0	0	0	0	117.3	S956 H960	S956-G958 PolarHBondContact O-N 3.25Å; S956-G958 VanDerWaalsContact O-N 3.09Å; G958-H960 PolarHBondContact O-N 3.45Å; G958-H960 VanDerWaalsContact O-N 3.14Å
959	V	65.9	Low	75.3	Confident	13 Å²	13	38.1 Å²	38.1	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-67	-18	-171.8	-170.9	0	0	0	0	113.5	I823 E957 L962 C963	I823-V959 HydrophobicContact CD1-CG2 4.22Å; E957-V959 PolarHBondContact O-N 3.23Å; V959-L962 PolarHBondContact O-N 3.25Å; V959-C963 PolarHBondContact O-N 3.44Å; V959-C963 VanDerWaalsContact O-N 3.08Å; V959-C963 PolarHBondContact O-SG 3.24Å
960	H	78.3	Confident	75	Confident	34 Å²	34	38.8 Å²	38.8	16%	0.157	22%	0.216	C	C	.	.	H	α-helix	trans	-70.6	-38.4	-173.5	-51.1	-62.1	0	0	0	113.3	R894 E957 G958 L962 C963 F964	R894-H960 PolarHBondContact NE-CD2 2.83Å; R894-H960 PolarHBondContact NE-CE1 3.01Å; R894-H960 PolarHBondContact NE-ND1 3.21Å; R894-H960 PolarHBondContact NE-NE2 3.23Å; R894-H960 PolarHBondContact NH2-CE1 3.49Å; R894-H960 PolarHBondContact NH2-NE2 3.41Å; E957-H960 PolarHBondContact O-CD2 3.4Å; E957-H960 PolarHBondContact O-NE2 3.01Å; G958-H960 PolarHBondContact O-N 3.45Å; G958-H960 VanDerWaalsContact O-N 3.14Å; H960-L962 VanDerWaalsContact C-N 3.3Å; H960-L962 PolarHBondContact O-N 3.07Å; H960-C963 WeakPolarHBondContact O-CB 3.43Å; H960-C963 PolarHBondContact O-N 3.36Å; H960-C963 VanDerWaalsContact O-N 3.14Å; H960-F964 HydrophobicContact CB-CE2 4.19Å; H960-F964 WeakPolarHBondContact O-CD2 3.49Å; H960-F964 PolarHBondContact O-N 3.43Å
961	K	87.9	Confident	75.4	Confident	47 Å²	47	38.3 Å²	38.3	20%	0.204	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-44.3	177.8	-71.2	-175.6	179.6	-177.2	0	110.8	E819 C963 F964 A965 L974 E976	E819-K961 HydrophobicContact CG-CB 3.85Å; K961-C963 VanDerWaalsContact C-N 3.33Å; K961-C963 PolarHBondContact O-N 2.9Å; K961-F964 PolarHBondContact O-N 3.43Å; K961-A965 WeakPolarHBondContact O-CB 3.07Å; K961-A965 PolarHBondContact O-N 3.28Å; K961-L974 HydrophobicContact CB-CD1 4.34Å; K961-L974 HydrophobicContact CG-CD1 4.23Å; K961-E976 WeakPolarHBondContact CE-OE1 3.3Å; K961-E976 IonicContact NZ-OE1 3.97Å; K961-E976 PolarHBondContact NZ-OE1 3.24Å; K961-E976 IonicContact NZ-OE2 3.83Å
962	L	90.3	Very high	76.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-44.1	174.7	-173.6	62	0	0	0	111.6	P672 F780 Q781 M816 E819 M820 I823 V959 H960 A965 S966	P672-L962 HydrophobicContact CB-CD1 3.79Å; P672-L962 HydrophobicContact CB-CG 4.34Å; P672-L962 HydrophobicContact CG-CD1 3.79Å; P672-L962 HydrophobicContact CG-CD2 3.91Å; P672-L962 HydrophobicContact CG-CG 4Å; F780-L962 HydrophobicContact CB-CD2 3.59Å; F780-L962 HydrophobicContact CG-CD2 4.47Å; Q781-L962 HydrophobicContact CG-CD2 4.3Å; Q781-L962 HydrophobicContact CG-CG 4.43Å; M816-L962 HydrophobicContact CB-CD1 3.81Å; M816-L962 HydrophobicContact CG-CD1 3.91Å; E819-L962 HydrophobicContact CB-CB 4.09Å; E819-L962 HydrophobicContact CB-CD1 4.31Å; M820-L962 HydrophobicContact CG-CD1 4.04Å; M820-L962 HydrophobicContact CG-CD2 3.95Å; I823-L962 HydrophobicContact CD1-CD2 3.68Å; V959-L962 PolarHBondContact O-N 3.25Å; H960-L962 VanDerWaalsContact C-N 3.3Å; H960-L962 PolarHBondContact O-N 3.07Å; L962-A965 PolarHBondContact O-N 3.23Å; L962-S966 WeakPolarHBondContact O-CB 3.22Å; L962-S966 PolarHBondContact O-N 3.39Å
963	C	90.2	Very high	78.2	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-52.1	175.7	-69.5	0	0	0	0	111.3	V935 V959 H960 K961 A965 S966 R967	V935-C963 HydrophobicContact CG2-CB 3.93Å; V959-C963 PolarHBondContact O-N 3.44Å; V959-C963 VanDerWaalsContact O-N 3.08Å; V959-C963 PolarHBondContact O-SG 3.24Å; H960-C963 WeakPolarHBondContact O-CB 3.43Å; H960-C963 PolarHBondContact O-N 3.36Å; H960-C963 VanDerWaalsContact O-N 3.14Å; K961-C963 VanDerWaalsContact C-N 3.33Å; K961-C963 PolarHBondContact O-N 2.9Å; C963-A965 PolarHBondContact O-N 2.98Å; C963-S966 PolarHBondContact O-N 3.46Å; C963-S966 PolarHBondContact O-OG 3.15Å; C963-R967 WeakPolarHBondContact O-CG 3.16Å
964	F	93.2	Very high	80.3	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.9	-45.8	178.4	-66.4	-59	0	0	0	112.4	L892 V935 S950 H960 K961 S966 R967 L972 L974	L892-F964 HydrophobicContact CB-CD1 3.87Å; L892-F964 HydrophobicContact CB-CE1 3.69Å; L892-F964 HydrophobicContact CD1-CD1 4.48Å; L892-F964 WeakPolarHBondContact O-CE1 3.38Å; V935-F964 HydrophobicContact CB-CD1 4.2Å; V935-F964 HydrophobicContact CB-CE1 3.77Å; V935-F964 HydrophobicContact CB-CZ 4.47Å; V935-F964 HydrophobicContact CG1-CE1 4.32Å; V935-F964 HydrophobicContact CG2-CD1 3.9Å; V935-F964 HydrophobicContact CG2-CE1 4Å; S950-F964 WeakPolarHBondContact OG-CE2 3.37Å; H960-F964 HydrophobicContact CB-CE2 4.19Å; H960-F964 WeakPolarHBondContact O-CD2 3.49Å; H960-F964 PolarHBondContact O-N 3.43Å; K961-F964 PolarHBondContact O-N 3.43Å; F964-S966 VanDerWaalsContact C-N 3.32Å; F964-S966 PolarHBondContact O-N 2.94Å; F964-R967 PolarHBondContact O-N 2.83Å; F964-R967 VanDerWaalsContact O-N 3.13Å; F964-L972 HydrophobicContact CB-CD1 4.37Å; F964-L974 HydrophobicContact CB-CD2 3.66Å; F964-L974 HydrophobicContact CD2-CD2 4.02Å; F964-L974 HydrophobicContact CG-CD2 4.13Å
965	A	93.7	Very high	82.5	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-40.9	179.7	0	0	0	0	0	112.1	I812 V815 M816 K961 L962 C963 R967 A968 L972	I812-A965 HydrophobicContact CG2-CB 4.2Å; V815-A965 HydrophobicContact CG1-CB 4.34Å; M816-A965 HydrophobicContact CG-CB 3.54Å; M816-A965 HydrophobicContact SD-CB 4.33Å; K961-A965 WeakPolarHBondContact O-CB 3.07Å; K961-A965 PolarHBondContact O-N 3.28Å; L962-A965 PolarHBondContact O-N 3.23Å; C963-A965 PolarHBondContact O-N 2.98Å; A965-R967 PolarHBondContact O-N 2.97Å; A965-R967 VanDerWaalsContact O-N 3.13Å; A965-A968 PolarHBondContact O-N 2.88Å; A965-L972 HydrophobicContact CB-CD2 3.63Å
966	S	92.7	Very high	84.4	Confident	11 Å²	11	19.1 Å²	19.1	8%	0.077	11%	0.108	C	C	.	.	H	α-helix	trans	-61.3	-23.4	178.3	79.9	0	0	0	0	113.7	R675 Q781 L962 C963 F964	R675-S966 PolarHBondContact NH1-O 3.3Å; Q781-S966 PolarHBondContact NE2-OG 2.86Å; Q781-S966 PolarHBondContact OE1-OG 3.3Å; L962-S966 WeakPolarHBondContact O-CB 3.22Å; L962-S966 PolarHBondContact O-N 3.39Å; C963-S966 PolarHBondContact O-N 3.46Å; C963-S966 PolarHBondContact O-OG 3.15Å; F964-S966 VanDerWaalsContact C-N 3.32Å; F964-S966 PolarHBondContact O-N 2.94Å
967	R	93.1	Very high	86	Confident	8 Å²	8	15.6 Å²	15.6	3%	0.03	8%	0.084	C	C	.	.	H	α-helix	trans	-86.8	-12.3	179	-51.8	-55	162.2	86.1	-11.6	113.3	L892 V935 F938 S939 M941 V942 R943 V946 C963 F964 A965	L892-R967 HydrophobicContact CD1-CB 4.08Å; L892-R967 HydrophobicContact CD1-CG 4.12Å; V935-R967 PolarHBondContact O-NH1 2.95Å; F938-R967 HydrophobicContact CD1-CB 4.26Å; F938-R967 HydrophobicContact CD1-CG 4.26Å; F938-R967 HydrophobicContact CE1-CB 4.32Å; F938-R967 PolarHBondContact O-NH1 2.93Å; S939-R967 VanDerWaalsContact CA-NH1 3.28Å; S939-R967 PolarHBondContact OG-NH2 2.84Å; S939-R967 VanDerWaalsContact OG-NH2 3.16Å; M941-R967 WeakPolarHBondContact O-CD 3.33Å; V942-R967 CarbonylContact C-O 3.59Å; V942-R967 VanDerWaalsContact CA-O 3.25Å; V942-R967 WeakPolarHBondContact CA-O 3.39Å; V942-R967 WeakPolarHBondContact CB-O 3.31Å; R943-R967 PolarHBondContact N-O 3.39Å; V946-R967 HydrophobicContact CG2-CB 4.19Å; V946-R967 WeakPolarHBondContact CG2-O 3.49Å; C963-R967 WeakPolarHBondContact O-CG 3.16Å; F964-R967 PolarHBondContact O-N 2.83Å; F964-R967 VanDerWaalsContact O-N 3.13Å; A965-R967 PolarHBondContact O-N 2.97Å; A965-R967 VanDerWaalsContact O-N 3.13Å
968	A	93.9	Very high	87	Confident	1 Å²	1	16 Å²	16	1%	0.008	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	143.1	-178.5	0	0	0	0	0	112	R675 I812 R943 V946 A965 L972	R675-A968 PolarHBondContact NH2-O 3.44Å; I812-A968 HydrophobicContact CD1-CB 3.74Å; I812-A968 HydrophobicContact CG2-CB 4.37Å; R943-A968 CarbonylContact O-C 3.53Å; V946-A968 HydrophobicContact CB-CB 3.89Å; V946-A968 HydrophobicContact CG2-CB 3.84Å; A965-A968 PolarHBondContact O-N 2.88Å; A968-L972 HydrophobicContact CB-CB 4.13Å; A968-L972 HydrophobicContact CB-CD1 4.07Å
969	V	89.9	Confident	87.2	Confident	12 Å²	12	17.3 Å²	17.3	7%	0.073	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-47.2	172.8	-175.4	0	0	0	0	111.3	F645 C808 A809 V942 R943	F645-V969 HydrophobicContact CD2-CG1 3.57Å; F645-V969 HydrophobicContact CE2-CG1 3.7Å; C808-V969 CarbonylContact C-O 3.55Å; C808-V969 VanDerWaalsContact CA-O 3.28Å; C808-V969 WeakPolarHBondContact CA-O 3.49Å; C808-V969 WeakPolarHBondContact CB-O 3.32Å; A809-V969 PolarHBondContact N-O 2.93Å; V942-V969 HydrophobicContact CB-CG2 4.38Å; V942-V969 HydrophobicContact CG2-CG2 4.27Å; R943-V969 PolarHBondContact O-N 2.88Å
970	K	86.2	Confident	86.6	Confident	13 Å²	13	23.2 Å²	23.2	6%	0.057	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	-39.9	-170.4	-162.9	165.2	180	171.8	0	114.5	S637 D638 I812 P854 G855 V856 N944	S637-K970 PolarHBondContact OG-NZ 3.45Å; D638-K970 HydrophobicContact CB-CD 4.25Å; D638-K970 WeakPolarHBondContact OD1-CD 3.49Å; D638-K970 WeakPolarHBondContact OD1-CE 3.21Å; D638-K970 IonicContact OD1-NZ 3.19Å; D638-K970 PolarHBondContact OD1-NZ 3.38Å; I812-K970 VanDerWaalsContact CD1-C 3.45Å; P854-K970 WeakPolarHBondContact O-CE 3.47Å; G855-K970 WeakPolarHBondContact CA-O 3.41Å; V856-K970 PolarHBondContact N-O 2.93Å; N944-K970 PolarHBondContact O-N 3.4Å
971	H	91.9	Very high	85	Confident	6 Å²	6	24.6 Å²	24.6	3%	0.028	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131	179.4	-60.4	-21.7	0	0	0	111.5	V856 Y884 N944 I945 V946 Y973	V856-H971 HydrophobicContact CB-CB 4.47Å; V856-H971 WeakPolarHBondContact CB-ND1 3.29Å; V856-H971 PolarHBondContact N-ND1 3.12Å; V856-H971 CarbonylContact O-C 3.41Å; V856-H971 VanDerWaalsContact O-CA 3.29Å; V856-H971 WeakPolarHBondContact O-CA 3.35Å; Y884-H971 AromaticContact CE2-NE2 4Å; Y884-H971 AromaticContact CZ-CD2 3.91Å; Y884-H971 AromaticContact CZ-NE2 3.69Å; Y884-H971 PolarHBondContact OH-NE2 2.83Å; N944-H971 PolarHBondContact O-N 2.88Å; I945-H971 CarbonylContact C-O 3.4Å; I945-H971 WeakPolarHBondContact CA-O 3.38Å; I945-H971 HydrophobicContact CB-CB 4.29Å; I945-H971 HydrophobicContact CG1-CB 3.78Å; I945-H971 HydrophobicContact CG2-CB 4.23Å; V946-H971 PolarHBondContact N-O 2.79Å; H971-Y973 HydrophobicContact CB-CE2 3.83Å
972	L	95.6	Very high	82.9	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.6	176.8	179.9	66.7	0	0	0	109.8	I812 V815 V856 C857 E858 V946 F964 A965 A968 L974	I812-L972 HydrophobicContact CD1-CB 4.08Å; I812-L972 HydrophobicContact CG1-CB 3.83Å; I812-L972 HydrophobicContact CG2-CD2 4.38Å; V815-L972 HydrophobicContact CG1-CD2 4.48Å; V856-L972 PolarHBondContact O-N 3.28Å; C857-L972 CarbonylContact C-O 3.54Å; C857-L972 VanDerWaalsContact CA-O 3.27Å; C857-L972 WeakPolarHBondContact CA-O 3.32Å; E858-L972 PolarHBondContact N-O 2.98Å; V946-L972 HydrophobicContact CB-CD1 4.23Å; V946-L972 HydrophobicContact CG1-CD1 4.29Å; V946-L972 WeakPolarHBondContact O-CA 3.49Å; F964-L972 HydrophobicContact CB-CD1 4.37Å; A965-L972 HydrophobicContact CB-CD2 3.63Å; A968-L972 HydrophobicContact CB-CB 4.13Å; A968-L972 HydrophobicContact CB-CD1 4.07Å; L972-L974 HydrophobicContact CD1-CD2 3.88Å; L972-L974 HydrophobicContact CD1-CG 4.3Å; L972-L974 HydrophobicContact CD2-CD1 4.15Å; L972-L974 HydrophobicContact CD2-CD2 4.33Å; L972-L974 HydrophobicContact CD2-CG 4.1Å; L972-L974 HydrophobicContact CG-CD2 4.16Å; L972-L974 HydrophobicContact CG-CG 4.02Å
973	Y	97.2	Very high	80.6	Confident	8 Å²	8	30.7 Å²	30.7	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	108.5	174.6	-57.5	-85.3	0	0	0	108.4	V856 E858 Y871 K875 L879 I945 V946 F947 G948 H971	V856-Y973 HydrophobicContact CG1-CE1 4.19Å; E858-Y973 HydrophobicContact CB-CD1 3.9Å; E858-Y973 HydrophobicContact CB-CE1 4.32Å; E858-Y973 HydrophobicContact CG-CD1 4.34Å; E858-Y973 HydrophobicContact CG-CE1 4.25Å; E858-Y973 CarbonylContact O-C 3.58Å; E858-Y973 WeakPolarHBondContact O-CA 3.49Å; E858-Y973 WeakPolarHBondContact OE2-CD1 3.39Å; E858-Y973 WeakPolarHBondContact OE2-CE1 3.25Å; Y871-Y973 HydrophobicContact CE1-CD1 4.45Å; K875-Y973 HydrophobicContact CD-CE1 4Å; L879-Y973 HydrophobicContact CD1-CE2 4.18Å; I945-Y973 HydrophobicContact CG2-CD2 4.11Å; I945-Y973 HydrophobicContact CG2-CE2 3.84Å; V946-Y973 PolarHBondContact O-N 2.83Å; F947-Y973 CarbonylContact C-O 3.47Å; F947-Y973 WeakPolarHBondContact CA-O 3.41Å; F947-Y973 VanDerWaalsContact CD1-CB 3.44Å; F947-Y973 AromaticContact CD1-CD2 3.8Å; F947-Y973 HydrophobicContact CD1-CD2 3.8Å; F947-Y973 AromaticContact CD1-CG 3.8Å; F947-Y973 HydrophobicContact CD1-CG 3.8Å; F947-Y973 HydrophobicContact CD2-CD2 4.43Å; F947-Y973 HydrophobicContact CE1-CD1 4.31Å; F947-Y973 AromaticContact CE1-CD2 3.45Å; F947-Y973 HydrophobicContact CE1-CD2 3.45Å; F947-Y973 VanDerWaalsContact CE1-CD2 3.45Å; F947-Y973 HydrophobicContact CE1-CE2 4.11Å; F947-Y973 AromaticContact CE1-CG 3.58Å; F947-Y973 HydrophobicContact CE1-CG 3.58Å; F947-Y973 HydrophobicContact CE2-CD2 4.13Å; F947-Y973 HydrophobicContact CE2-CE2 4.48Å; F947-Y973 HydrophobicContact CG-CD2 4.28Å; F947-Y973 AromaticContact CZ-CD2 3.63Å; F947-Y973 HydrophobicContact CZ-CD2 3.63Å; F947-Y973 AromaticContact CZ-CE2 3.92Å; F947-Y973 HydrophobicContact CZ-CE2 3.92Å; F947-Y973 HydrophobicContact CZ-CG 4.23Å; G948-Y973 PolarHBondContact N-O 3.11Å; H971-Y973 HydrophobicContact CB-CE2 3.83Å
974	L	94.4	Very high	78.4	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.6	177.2	-63	177.9	0	0	0	109.1	V815 E858 I859 K860 K961 F964 L972	V815-L974 HydrophobicContact CG1-CD1 4.38Å; E858-L974 PolarHBondContact O-N 2.94Å; I859-L974 WeakPolarHBondContact CA-O 3.12Å; I859-L974 HydrophobicContact CD1-CD1 4.31Å; I859-L974 HydrophobicContact CG1-CB 4.26Å; I859-L974 HydrophobicContact CG1-CD1 4.23Å; I859-L974 HydrophobicContact CG2-CB 4.29Å; K860-L974 PolarHBondContact N-O 2.89Å; K961-L974 HydrophobicContact CB-CD1 4.34Å; K961-L974 HydrophobicContact CG-CD1 4.23Å; F964-L974 HydrophobicContact CB-CD2 3.66Å; F964-L974 HydrophobicContact CD2-CD2 4.02Å; F964-L974 HydrophobicContact CG-CD2 4.13Å; L972-L974 HydrophobicContact CD1-CD2 3.88Å; L972-L974 HydrophobicContact CD1-CG 4.3Å; L972-L974 HydrophobicContact CD2-CD1 4.15Å; L972-L974 HydrophobicContact CD2-CD2 4.33Å; L972-L974 HydrophobicContact CD2-CG 4.1Å; L972-L974 HydrophobicContact CG-CD2 4.16Å; L972-L974 HydrophobicContact CG-CG 4.02Å
975	L	93.1	Very high	75.9	Confident	1 Å²	1	44 Å²	44	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.7	-173.9	-53.7	177.4	0	0	0	109.9	K860 L863 I868 Y871 V872 F947 G948 L949 S950	K860-L975 HydrophobicContact CB-CD2 3.94Å; K860-L975 HydrophobicContact CG-CD2 4.43Å; K860-L975 CarbonylContact O-C 3.58Å; K860-L975 WeakPolarHBondContact O-CA 3.46Å; L863-L975 HydrophobicContact CD1-CD2 4.4Å; I868-L975 HydrophobicContact CD1-CB 4.38Å; I868-L975 HydrophobicContact CG1-CB 4.32Å; I868-L975 HydrophobicContact CG2-CB 4.18Å; I868-L975 HydrophobicContact CG2-CD1 3.9Å; Y871-L975 HydrophobicContact CD1-CD1 3.79Å; Y871-L975 HydrophobicContact CD1-CD2 3.62Å; Y871-L975 HydrophobicContact CD1-CG 4.38Å; Y871-L975 HydrophobicContact CE1-CD1 4.46Å; Y871-L975 HydrophobicContact CE1-CD2 3.71Å; V872-L975 HydrophobicContact CG2-CD1 3.4Å; F947-L975 HydrophobicContact CD1-CD1 4.31Å; G948-L975 PolarHBondContact O-N 2.84Å; L949-L975 WeakPolarHBondContact CA-O 3.48Å; L949-L975 HydrophobicContact CD2-CB 4Å; L949-L975 HydrophobicContact CD2-CD1 3.84Å; L949-L975 HydrophobicContact CD2-CG 4.32Å; S950-L975 PolarHBondContact N-O 2.7Å
976	E	87.4	Confident	73.1	Confident	26 Å²	26	51.9 Å²	51.9	12%	0.121	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.6	-176.9	-61.2	174.1	160.8	0	0	111	K860 A861 N862 L863 S950 K961	K860-E976 PolarHBondContact O-N 2.8Å; A861-E976 CarbonylContact C-O 3.59Å; A861-E976 HydrophobicContact CB-CB 4.1Å; N862-E976 PolarHBondContact N-O 3.4Å; L863-E976 PolarHBondContact N-O 3.16Å; S950-E976 CarbonylContact O-C 3.39Å; S950-E976 WeakPolarHBondContact O-CA 3.38Å; K961-E976 WeakPolarHBondContact CE-OE1 3.3Å; K961-E976 IonicContact NZ-OE1 3.97Å; K961-E976 PolarHBondContact NZ-OE1 3.24Å; K961-E976 IonicContact NZ-OE2 3.83Å
977	A	81.4	Confident	70.7	Confident	2 Å²	2	53.7 Å²	53.7	2%	0.017	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	142	179.7	0	0	0	0	0	112.6	L863 I868 Y902 S950 T951 E952	L863-A977 CarbonylContact O-C 3.45Å; L863-A977 WeakPolarHBondContact O-CA 3.41Å; I868-A977 HydrophobicContact CD1-CB 3.7Å; Y902-A977 WeakPolarHBondContact OH-CB 3.25Å; S950-A977 PolarHBondContact O-N 3.43Å; T951-A977 HydrophobicContact CG2-CB 4.3Å; E952-A977 PolarHBondContact N-O 3.39Å
978	E	73.5	Confident	68.3	Low	115 Å²	115	57.7 Å²	57.7	54%	0.537	31%	0.311	S	S	.	.			trans	-68.8	139.8	176.4	-170.9	-179.2	-173.8	0	0	112	L863 V980	L863-E978 PolarHBondContact O-N 2.74Å; E978-V980 PolarHBondContact O-N 3.18Å
979	I	60.8	Low	65.8	Low	61 Å²	61	61.3 Å²	61.3	31%	0.313	33%	0.333	S	S	.	.			trans	-74.8	112.1	173.7	-54.4	179.5	0	0	0	110	E952 V954 L981	E952-I979 HydrophobicContact CB-CD1 3.99Å; E952-I979 HydrophobicContact CB-CG1 3.74Å; E952-I979 VanDerWaalsContact O-CD1 3.25Å; E952-I979 WeakPolarHBondContact O-CD1 3.28Å; E952-I979 WeakPolarHBondContact O-CG1 3.17Å; V954-I979 HydrophobicContact CG2-CD1 4Å; I979-L981 HydrophobicContact CG2-CD2 3.86Å; I979-L981 HydrophobicContact CG2-CG 3.82Å; I979-L981 PolarHBondContact O-N 2.78Å; I979-L981 VanDerWaalsContact O-N 3.14Å
980	V	53	Low	63.4	Low	137 Å²	137	65.5 Å²	65.5	83%	0.83	36%	0.355	S	S	*	.			trans	-81	89.2	162.1	-173.2	0	0	0	0	108.2	E978 S982	E978-V980 PolarHBondContact O-N 3.18Å; V980-S982 PolarHBondContact O-N 2.87Å
981	L	45.5	Very low	61.1	Low	62 Å²	62	66.7 Å²	66.7	33%	0.325	37%	0.37	S	S	.	.			trans	-61.9	124.6	172.1	-72.6	167.9	0	0	0	108.9	I979 Q985	I979-L981 HydrophobicContact CG2-CD2 3.86Å; I979-L981 HydrophobicContact CG2-CG 3.82Å; I979-L981 PolarHBondContact O-N 2.78Å; I979-L981 VanDerWaalsContact O-N 3.14Å; L981-Q985 HydrophobicContact CD2-CB 3.99Å
982	S	43.2	Very low	58.4	Low	54 Å²	54	72.1 Å²	72.1	38%	0.378	40%	0.399	S	S	.	.			trans	-62	153.4	169.3	66	0	0	0	0	110	V980 H984 Q985 R986	V980-S982 PolarHBondContact O-N 2.87Å; S982-H984 PolarHBondContact O-N 2.77Å; S982-H984 VanDerWaalsContact O-N 3.09Å; S982-Q985 PolarHBondContact O-N 3.22Å; S982-Q985 PolarHBondContact OG-N 3.38Å; S982-R986 PolarHBondContact O-N 2.59Å
983	P	41.6	Very low	55.5	Low	122 Å²	122	76.5 Å²	76.5	79%	0.792	43%	0.429	S	S	*	.	H	α-helix	trans	-54.3	-34	179.9	-24.1	31.9	0	0	0	112.9	R986 G987	P983-R986 PolarHBondContact O-N 2.95Å; P983-G987 PolarHBondContact O-N 3.35Å
984	H	45	Very low	52.5	Low	171 Å²	171	84 Å²	84	79%	0.792	47%	0.465	S	S	*	.	H	α-helix	trans	-67	-37.7	175.5	-95.5	-37.2	0	0	0	113.4	S982 V988	S982-H984 PolarHBondContact O-N 2.77Å; S982-H984 VanDerWaalsContact O-N 3.09Å; H984-V988 PolarHBondContact O-N 3.1Å
985	Q	39.8	Very low	49.4	Very low	110 Å²	110	93.9 Å²	93.9	51%	0.514	50%	0.502	S	S	.	.	H	α-helix	trans	-75.1	-31.2	176.8	-72.6	-164.7	-31.2	0	0	112.5	L981 S982 G987 V988 V989	L981-Q985 HydrophobicContact CD2-CB 3.99Å; S982-Q985 PolarHBondContact O-N 3.22Å; S982-Q985 PolarHBondContact OG-N 3.38Å; Q985-G987 VanDerWaalsContact C-N 3.29Å; Q985-G987 PolarHBondContact O-N 3.35Å; Q985-V988 PolarHBondContact O-N 3.01Å; Q985-V988 VanDerWaalsContact O-N 3.13Å; Q985-V989 WeakPolarHBondContact O-CG2 3.33Å; Q985-V989 PolarHBondContact O-N 2.89Å
986	R	35.3	Very low	46.3	Very low	166 Å²	166	98.6 Å²	98.6	63%	0.626	54%	0.535	S	S	*	.	H	α-helix	trans	-58.3	-43	172.7	-140.9	179.3	-143.4	-176.3	5.7	111.4	S982 P983 V988 V989 D990	S982-R986 PolarHBondContact O-N 2.59Å; P983-R986 PolarHBondContact O-N 2.95Å; R986-V988 VanDerWaalsContact C-N 3.3Å; R986-V988 PolarHBondContact O-N 3.29Å; R986-V989 PolarHBondContact O-N 2.84Å; R986-D990 WeakPolarHBondContact O-CB 3.39Å; R986-D990 PolarHBondContact O-N 3.03Å
987	G	42.4	Very low	43.4	Very low	49 Å²	49	103 Å²	103	51%	0.505	56%	0.564	S	S	.	*	H	α-helix	trans	-63.1	-30.4	175.7	0	0	0	0	0	114.7	P983 Q985 G991	P983-G987 PolarHBondContact O-N 3.35Å; Q985-G987 VanDerWaalsContact C-N 3.29Å; Q985-G987 PolarHBondContact O-N 3.35Å; G987-G991 PolarHBondContact O-N 2.73Å; G987-G991 VanDerWaalsContact O-N 3.07Å
988	V	43.4	Very low	40.7	Very low	91 Å²	91	108.9 Å²	108.9	55%	0.552	60%	0.599	S	S	*	*	H	α-helix	trans	-77	-39.6	176.8	178.5	0	0	0	0	111.3	H984 Q985 R986 G991 L992	H984-V988 PolarHBondContact O-N 3.1Å; Q985-V988 PolarHBondContact O-N 3.01Å; Q985-V988 VanDerWaalsContact O-N 3.13Å; R986-V988 VanDerWaalsContact C-N 3.3Å; R986-V988 PolarHBondContact O-N 3.29Å; V988-G991 PolarHBondContact O-N 2.78Å; V988-L992 HydrophobicContact CG1-CD1 4.12Å; V988-L992 WeakPolarHBondContact O-CG 3.36Å; V988-L992 PolarHBondContact O-N 2.94Å; V988-L992 VanDerWaalsContact O-N 3.09Å
989	V	41	Very low	38.4	Very low	77 Å²	77	109.9 Å²	109.9	47%	0.467	61%	0.613	S	S	.	*	H	α-helix	trans	-67.8	-43.9	177.2	178.1	0	0	0	0	110.8	Q985 R986 G991 L992 S993	Q985-V989 WeakPolarHBondContact O-CG2 3.33Å; Q985-V989 PolarHBondContact O-N 2.89Å; R986-V989 PolarHBondContact O-N 2.84Å; V989-G991 VanDerWaalsContact C-N 3.32Å; V989-G991 PolarHBondContact O-N 2.89Å; V989-L992 PolarHBondContact O-N 2.9Å; V989-S993 PolarHBondContact O-N 3.38Å; V989-S993 VanDerWaalsContact O-N 3.15Å
990	D	39.4	Very low	36.7	Very low	101 Å²	101	115.6 Å²	115.6	54%	0.54	64%	0.639	S	S	.	*	H	α-helix	trans	-66	-36	176.7	-68.5	-25.1	0	0	0	111.6	R986 L992 S993 Q994	R986-D990 WeakPolarHBondContact O-CB 3.39Å; R986-D990 PolarHBondContact O-N 3.03Å; D990-L992 PolarHBondContact O-N 2.83Å; D990-S993 PolarHBondContact O-N 3.21Å; D990-Q994 PolarHBondContact O-N 3.46Å
991	G	39.2	Very low	35.3	Very low	37 Å²	37	116.9 Å²	116.9	38%	0.381	64%	0.641	S	S	.	*	H	α-helix	trans	-68.3	-29.2	176.1	0	0	0	0	0	114.4	G987 V988 V989	G987-G991 PolarHBondContact O-N 2.73Å; G987-G991 VanDerWaalsContact O-N 3.07Å; V988-G991 PolarHBondContact O-N 2.78Å; V989-G991 VanDerWaalsContact C-N 3.32Å; V989-G991 PolarHBondContact O-N 2.89Å
992	L	35.2	Very low	34.4	Very low	120 Å²	120	120.6 Å²	120.6	63%	0.628	67%	0.666	S	S	*	*	H	α-helix	trans	-82.4	-30.9	177	-74.9	167.3	0	0	0	112.4	V988 V989 D990 Q994 R995	V988-L992 HydrophobicContact CG1-CD1 4.12Å; V988-L992 WeakPolarHBondContact O-CG 3.36Å; V988-L992 PolarHBondContact O-N 2.94Å; V988-L992 VanDerWaalsContact O-N 3.09Å; V989-L992 PolarHBondContact O-N 2.9Å; D990-L992 PolarHBondContact O-N 2.83Å; L992-Q994 VanDerWaalsContact C-N 3.3Å; L992-Q994 PolarHBondContact O-N 3.35Å; L992-R995 PolarHBondContact O-N 3.26Å
993	S	34.1	Very low	33.5	Very low	92 Å²	92	121.3 Å²	121.3	64%	0.643	68%	0.682	S	S	*	*	H	α-helix	trans	-66.2	-30.9	175.6	-167.8	0	0	0	0	112.8	V989 D990	V989-S993 PolarHBondContact O-N 3.38Å; V989-S993 VanDerWaalsContact O-N 3.15Å; D990-S993 PolarHBondContact O-N 3.21Å
994	Q	34.1	Very low	32.6	Very low	166 Å²	166	123.5 Å²	123.5	78%	0.776	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-12.8	178.2	-74.6	-170.2	-9.6	0	0	114.5	D990 L992	D990-Q994 PolarHBondContact O-N 3.46Å; L992-Q994 VanDerWaalsContact C-N 3.3Å; L992-Q994 PolarHBondContact O-N 3.35Å
995	R	28.3	Very low	31.7	Very low	212 Å²	212	124.5 Å²	124.5	80%	0.8	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-1.4	-178.6	-85	-174	175.2	-173.4	-0.3	115.2	L992 T997	L992-R995 PolarHBondContact O-N 3.26Å; R995-T997 VanDerWaalsContact C-N 3.35Å; R995-T997 PolarHBondContact O-N 2.96Å
996	S	28.3	Very low	30.9	Very low	100 Å²	100	128.7 Å²	128.7	70%	0.699	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-1.2	-178.8	84.6	0	0	0	0	115.8
997	T	26.5	Very low	30.4	Very low	119 Å²	119	128.3 Å²	128.3	73%	0.73	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	7.3	-175.1	41.2	0	0	0	0	116.9	R995	R995-T997 VanDerWaalsContact C-N 3.35Å; R995-T997 PolarHBondContact O-N 2.96Å
998	T	24.7	Very low	29.5	Very low	124 Å²	124	134.8 Å²	134.8	76%	0.761	74%	0.735	S	S	*	*			trans	-144.1	81.9	177.3	-32.5	0	0	0	0	112
999	V	25.7	Very low	28.7	Very low	137 Å²	137	136.7 Å²	136.7	83%	0.83	75%	0.747	S	S	*	*			trans	-123.2	91.2	166.5	-177.6	0	0	0	0	108.1
1000	Q	25.4	Very low	28.2	Very low	181 Å²	181	138.3 Å²	138.3	85%	0.846	76%	0.759	S	S	*	*			trans	-94.2	136.4	157.1	-84.5	-174.8	-17.6	0	0	108.4	T1002	Q1000-T1002 PolarHBondContact O-N 3.01Å
1001	N	23.4	Very low	27.8	Very low	164 Å²	164	139 Å²	139	88%	0.877	77%	0.77	S	S	*	*			trans	-42.2	115.3	176.9	-81.3	-26.7	0	0	0	114.5
1002	T	26.6	Very low	27.4	Very low	140 Å²	140	142.7 Å²	142.7	86%	0.859	79%	0.786	S	S	*	*			trans	-138.6	126.1	149.9	51.3	0	0	0	0	109	Q1000	Q1000-T1002 PolarHBondContact O-N 3.01Å
1003	G	24.3	Very low	27.1	Very low	69 Å²	69	143.1 Å²	143.1	71%	0.711	80%	0.797	S	S	*	*			trans	-72.9	164.3	-163.1	0	0	0	0	0	117.2
1004	N	22.4	Very low	26.7	Very low	168 Å²	168	146.2 Å²	146.2	90%	0.898	81%	0.806	S	S	*	*			trans	19.6	97.1	148.2	-64.1	-2.7	0	0	0	116.6
1005	K	25.8	Very low	26.3	Very low	192 Å²	192	144.9 Å²	144.9	84%	0.835	81%	0.809	S	S	*	*			trans	-124	113.6	144	-84.4	-172.7	173.2	-177.6	0	108.2	L1007	K1005-L1007 PolarHBondContact O-N 3.43Å
1006	E	23.2	Very low	26.3	Very low	198 Å²	198	139 Å²	139	93%	0.925	81%	0.806	S	S	*	*			trans	-49.9	115.9	162.3	-75.6	164.8	135.8	0	0	108.3
1007	L	25.3	Very low	26.1	Very low	157 Å²	157	138.9 Å²	138.9	82%	0.822	81%	0.811	S	S	*	*			trans	-99	110.9	163.1	-107.4	104.6	0	0	0	107	K1005 V1009	K1005-L1007 PolarHBondContact O-N 3.43Å; L1007-V1009 PolarHBondContact O-N 3.06Å
1008	E	23.1	Very low	26	Very low	185 Å²	185	141 Å²	141	86%	0.864	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-52.5	126.9	170.5	-71.8	178.2	137.6	0	0	110.6	P1010	E1008-P1010 WeakPolarHBondContact O-CD 3.42Å
1009	V	26.7	Very low	26.1	Very low	132 Å²	132	143.5 Å²	143.5	80%	0.8	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-77.5	118.6	172.8	175.7	0	0	0	0	107.8	L1007	L1007-V1009 PolarHBondContact O-N 3.06Å
1010	P	29.5	Very low	26	Very low	110 Å²	110	142.6 Å²	142.6	71%	0.714	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-70.3	139.7	174	27.3	-30.3	0	0	0	110	E1008	E1008-P1010 WeakPolarHBondContact O-CD 3.42Å
1011	P	31.2	Very low	25.9	Very low	117 Å²	117	141.9 Å²	141.9	76%	0.76	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-71.1	155.6	-174.8	28.5	-33.4	0	0	0	112.6
1012	P	30.8	Very low	25.8	Very low	113 Å²	113	141.5 Å²	141.5	73%	0.734	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-68.5	150	-175	28.2	-34.1	0	0	0	112.3
1013	P	29.6	Very low	25.7	Very low	130 Å²	130	145.3 Å²	145.3	84%	0.844	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-69.7	139.8	-174.6	28.2	-32.6	0	0	0	111.8
1014	D	26.5	Very low	25.6	Very low	156 Å²	156	153.3 Å²	153.3	83%	0.834	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-56.3	136	-173	-76.3	-50.7	0	0	0	114.8	A1016	D1014-A1016 PolarHBondContact O-N 2.8Å
1015	T	25.3	Very low	25.5	Very low	139 Å²	139	153.6 Å²	153.6	85%	0.853	82%	0.823	S	S	*	*			trans	-42.6	95.9	161.9	-6.6	0	0	0	0	112.2	A1017	T1015-A1017 PolarHBondContact O-N 3.24Å; T1015-A1017 VanDerWaalsContact O-N 3.14Å
1016	A	27.2	Very low	25.6	Very low	89 Å²	89	153.6 Å²	153.6	74%	0.736	83%	0.826	S	S	*	*			trans	-74.9	101.2	166.4	0	0	0	0	0	109.4	D1014 I1018	D1014-A1016 PolarHBondContact O-N 2.8Å; A1016-I1018 PolarHBondContact O-N 3.18Å
1017	A	24.5	Very low	25.6	Very low	96 Å²	96	147.6 Å²	147.6	79%	0.793	82%	0.817	S	S	*	*			trans	-61.2	108.6	171.3	0	0	0	0	0	110.7	T1015	T1015-A1017 PolarHBondContact O-N 3.24Å; T1015-A1017 VanDerWaalsContact O-N 3.14Å
1018	I	25.9	Very low	25.4	Very low	165 Å²	165	150.5 Å²	150.5	85%	0.846	82%	0.823	S	S	*	*			trans	-103.5	112.7	163.9	-61.2	-179.2	0	0	0	107.4	A1016	A1016-I1018 PolarHBondContact O-N 3.18Å
1019	Q	25.2	Very low	25.4	Very low	175 Å²	175	145.4 Å²	145.4	82%	0.818	82%	0.82	S	S	*	*			trans	-63.2	155.1	-177.6	-77.4	177	-33.1	0	0	113.2
1020	P	24.7	Very low	25.2	Very low	118 Å²	118	145.7 Å²	145.7	77%	0.766	82%	0.822	S	S	*	*			trans	-85.4	119.8	-169.7	4.9	14.8	0	0	0	111.1	N1022	P1020-N1022 PolarHBondContact O-N 3.04Å
1021	L	23.6	Very low	24.9	Very low	166 Å²	166	144.1 Å²	144.1	87%	0.869	83%	0.825	S	S	*	*			trans	-80.7	84.8	174.3	-156.3	79.8	0	0	0	110.2	R1023	L1021-R1023 PolarHBondContact O-N 2.91Å
1022	N	21.4	Very low	24.4	Very low	157 Å²	157	147 Å²	147	84%	0.84	83%	0.829	S	S	*	*			trans	-74.8	99.3	166.5	-102.1	-30	0	0	0	109.7	P1020	P1020-N1022 PolarHBondContact O-N 3.04Å
1023	R	23.8	Very low	24	Very low	220 Å²	220	150.2 Å²	150.2	83%	0.83	83%	0.834	S	S	*	*			trans	-135	102.4	163.5	-87.5	-168.9	177.5	-178.2	0.7	113	L1021	L1021-R1023 PolarHBondContact O-N 2.91Å
1024	R	22.6	Very low	23.6	Very low	237 Å²	237	149.3 Å²	149.3	89%	0.894	83%	0.827	S	S	*	*			trans	55.1	108	132.6	-69	-173.2	-174.3	-171.9	1.4	119.4	H1026	R1024-H1026 PolarHBondContact O-N 3.46Å
1025	L	20.5	Very low	23.3	Very low	174 Å²	174	148.9 Å²	148.9	91%	0.911	82%	0.823	S	S	*	*			trans	-38.9	113.3	146.5	-68.3	146.7	0	0	0	114.3
1026	H	26.7	Very low	23	Very low	192 Å²	192	149 Å²	149	89%	0.889	82%	0.818	S	S	*	*			trans	-129.8	131.3	142.2	-81.7	-26.2	0	0	0	104.3	R1024	R1024-H1026 PolarHBondContact O-N 3.46Å
1027	G	22.6	Very low	22.6	Very low	71 Å²	71	155.3 Å²	155.3	73%	0.732	82%	0.823	S	S	*	*			cis	136	100.4	31.3	0	0	0	0	0	104.8
1028	K	22.1	Very low	22.4	Very low	218 Å²	218	157.3 Å²	157.3	95%	0.948	82%	0.82	S	S	*	*			trans	21.9	121.9	159.1	-64.6	-179.2	176.5	-179.5	0	118.6
1029	G	23.6	Very low	22.1	Very low	79 Å²	79	155.9 Å²	155.9	81%	0.814	82%	0.819	S	S	*	*			trans	-155.8	76.2	157.7	0	0	0	0	0	110.3	G1031	G1029-G1031 PolarHBondContact O-N 2.87Å
1030	V	22.3	Very low	22	Very low	137 Å²	137	152.4 Å²	152.4	83%	0.83	82%	0.815	S	S	*	*			trans	-75.7	103.9	169.6	174.2	0	0	0	0	106.8
1031	G	23.6	Very low	21.8	Very low	77 Å²	77	157.9 Å²	157.9	79%	0.794	82%	0.82	S	S	*	*			trans	-111.3	87.2	166.6	0	0	0	0	0	108.7	G1029	G1029-G1031 PolarHBondContact O-N 2.87Å
1032	Q	20.6	Very low	21.6	Very low	178 Å²	178	161 Å²	161	83%	0.832	82%	0.82	S	S	*	*			trans	-88.9	106.8	159.2	-83.9	-177	-23.3	0	0	106.4
1033	E	22.6	Very low	21.6	Very low	180 Å²	180	158.9 Å²	158.9	84%	0.841	82%	0.815	S	S	*	*			trans	-152.3	103.4	160.3	-112.7	168.1	-160.4	0	0	110.1
1034	T	20.7	Very low	21.4	Very low	112 Å²	112	153.1 Å²	153.1	69%	0.687	81%	0.809	S	S	*	*				67.6	99.4	126.9	-34.8	0	0	0	0	118.8	L1036	T1034-L1036 PolarHBondContact O-N 2.98Å
1035	L	19.1	Very low	21.4	Very low	146 Å²	146	148.8 Å²	148.8	76%	0.764	80%	0.803	S	S	*	*			trans	-14.1	108.3	139.2	-75.2	136.7	0	0	0	114.6
1036	L	20.7	Very low	21.5	Very low	143 Å²	143	145.6 Å²	145.6	75%	0.749	80%	0.796	S	S	*	*			trans	-121.5	102.6	153.5	-125.1	94.9	0	0	0	108.9	T1034 N1038	T1034-L1036 PolarHBondContact O-N 2.98Å; L1036-N1038 PolarHBondContact O-N 3.15Å
1037	W	17.7	Very low	21.4	Very low	220 Å²	220	139.6 Å²	139.6	83%	0.833	79%	0.785	S	S	*	*			trans	-66.8	106.9	163	-76.7	79.6	0	0	0	108
1038	N	20.4	Very low	21.4	Very low	138 Å²	138	139.7 Å²	139.7	74%	0.738	77%	0.769	S	S	*	*			trans	-112.4	101.4	164.2	-108.8	-16	0	0	0	109.2	L1036 S1040	L1036-N1038 PolarHBondContact O-N 3.15Å; N1038-S1040 PolarHBondContact O-N 3.48Å
1039	T	19.5	Very low	21.6	Very low	135 Å²	135	131.8 Å²	131.8	83%	0.828	74%	0.74	S	S	*	*			trans	-56.5	96.6	166.1	43	0	0	0	0	110.1
1040	S	22.2	Very low	21.8	Very low	103 Å²	103	129.7 Å²	129.7	72%	0.72	71%	0.713	S	S	*	*			trans	-111.7	101.5	169.6	167.2	0	0	0	0	109.4	N1038	N1038-S1040 PolarHBondContact O-N 3.48Å
1041	R	20.7	Very low	22	Very low	233 Å²	233	129 Å²	129	88%	0.879	70%	0.695	S	S	*	*			trans	44	117.1	141.6	-65.2	-178.1	177.3	-169.3	-0.9	118.6
1042	R	20	Very low	22.3	Very low	230 Å²	230	126.1 Å²	126.1	87%	0.868	66%	0.661	S	S	*	*			trans	-25.6	144.1	154.1	-69.9	178.2	175.4	178.7	-2.4	114
1043	P	21.2	Very low	22.7	Very low	113 Å²	113	117.8 Å²	117.8	73%	0.734	62%	0.623	S	S	*	*				-114.8	127.8	104.5	6.4	11.5	0	0	0	109.8	N1045	P1043-N1045 PolarHBondContact O-N 3.29Å
1044	S	20.6	Very low	22.9	Very low	100 Å²	100	110.7 Å²	110.7	70%	0.699	59%	0.59	S	S	*	*			trans	-66.2	90.5	162.9	45.6	0	0	0	0	109.1	S1046	S1044-S1046 PolarHBondContact O-N 3.45Å
1045	N	22.5	Very low	23.2	Very low	146 Å²	146	106.1 Å²	106.1	78%	0.781	56%	0.562	S	S	*	*			trans	-86.4	105.9	166	-93.8	-3.1	0	0	0	109.2	P1043 G1047	P1043-N1045 PolarHBondContact O-N 3.29Å; N1045-G1047 PolarHBondContact O-N 3.07Å; N1045-G1047 VanDerWaalsContact O-N 3.1Å
1046	S	22.4	Very low	23.6	Very low	107 Å²	107	101.3 Å²	101.3	75%	0.748	54%	0.538	S	S	*	.			trans	-71.5	80.7	-177	41.7	0	0	0	0	112	S1044	S1044-S1046 PolarHBondContact O-N 3.45Å
1047	G	23.4	Very low	23.8	Very low	65 Å²	65	96.9 Å²	96.9	67%	0.67	52%	0.515	S	S	*	.			trans	-96.6	82	163	0	0	0	0	0	110.4	N1045 C1049	N1045-G1047 PolarHBondContact O-N 3.07Å; N1045-G1047 VanDerWaalsContact O-N 3.1Å; G1047-C1049 PolarHBondContact O-N 3.45Å
1048	L	23.1	Very low	24.1	Very low	74 Å²	74	90.2 Å²	90.2	39%	0.387	50%	0.495	S	S	.	.			trans	-54.2	112.2	-178.7	-105.7	86.3	0	0	0	110.9	C1050	L1048-C1050 PolarHBondContact O-N 3.31Å; L1048-C1050 PolarHBondContact O-SG 3.4Å
1049	C	26.2	Very low	24.3	Very low	52 Å²	52	88.3 Å²	88.3	35%	0.351	49%	0.485	S	S	.	.			trans	-75.3	107.6	-173.8	-162.9	0	0	0	0	110	R885 G1047 R1051	R885-C1049 PolarHBondContact NH2-SG 2.94Å; G1047-C1049 PolarHBondContact O-N 3.45Å; C1049-R1051 PolarHBondContact O-N 3.48Å
1050	C	29.2	Very low	24.3	Very low	34 Å²	34	90.7 Å²	90.7	23%	0.23	48%	0.484	C	S	.	.			trans	-88.8	88	-176.8	-59.4	0	0	0	0	110.6	R518 L1048	R518-C1050 HydrophobicContact CB-CB 3.9Å; R518-C1050 HydrophobicContact CG-CB 3.83Å; R518-C1050 WeakPolarHBondContact CG-SG 3.49Å; L1048-C1050 PolarHBondContact O-N 3.31Å; L1048-C1050 PolarHBondContact O-SG 3.4Å
1051	R	26	Very low	24.3	Very low	124 Å²	124	92.9 Å²	92.9	47%	0.468	48%	0.483	S	S	.	.			trans	-102.6	139.4	168.5	-69.7	-175.5	169.1	173	-4.5	108.9	P488 C1049 I1053	P488-R1051 HydrophobicContact CG-CB 3.77Å; P488-R1051 HydrophobicContact CG-CG 4.28Å; C1049-R1051 PolarHBondContact O-N 3.48Å; R1051-I1053 HydrophobicContact CB-CG1 4.4Å; R1051-I1053 PolarHBondContact O-N 3.48Å; R1051-I1053 VanDerWaalsContact O-N 3.1Å
1052	I	29	Very low	24.4	Very low	15 Å²	15	87.6 Å²	87.6	8%	0.077	48%	0.477	C	S	.	.			trans	-57.5	124.2	160.1	-93.8	163.6	0	0	0	104.4	P488 I515 F516 W520 L636 I1054	P488-I1052 WeakPolarHBondContact CD-O 3.42Å; I515-I1052 HydrophobicContact CG2-CD1 4.37Å; I515-I1052 HydrophobicContact CG2-CG1 4.44Å; I515-I1052 HydrophobicContact CG2-CG2 3.75Å; F516-I1052 CarbonylContact O-C 3.56Å; F516-I1052 WeakPolarHBondContact O-CA 3.39Å; F516-I1052 VanDerWaalsContact O-CB 3.31Å; F516-I1052 WeakPolarHBondContact O-CB 2.84Å; F516-I1052 WeakPolarHBondContact O-CG1 3.47Å; F516-I1052 WeakPolarHBondContact O-CG2 3.42Å; W520-I1052 HydrophobicContact CZ2-CD1 4.46Å; L636-I1052 HydrophobicContact CD1-CB 3.69Å; L636-I1052 HydrophobicContact CD1-CD1 3.55Å; L636-I1052 HydrophobicContact CD1-CG1 3.3Å; L636-I1052 HydrophobicContact CD2-CB 3.94Å; L636-I1052 HydrophobicContact CD2-CG1 4.5Å; L636-I1052 HydrophobicContact CG-CB 4.39Å; L636-I1052 HydrophobicContact CG-CG1 4.42Å; I1052-I1054 HydrophobicContact CG2-CD1 4.38Å; I1052-I1054 HydrophobicContact CG2-CG1 3.7Å
1053	I	29.1	Very low	24.6	Very low	4 Å²	4	84.8 Å²	84.8	2%	0.021	47%	0.474	C	S	.	.	B	Isolated β-bridge	trans	-108.6	98	179.3	-80.1	163.1	0	0	0	105.1	P488 L491 F492 F516 R1051 T1055	P488-I1053 HydrophobicContact CB-CG1 4.47Å; P488-I1053 HydrophobicContact CG-CG1 4.14Å; P488-I1053 VanDerWaalsContact O-CG1 3.32Å; P488-I1053 WeakPolarHBondContact O-CG1 3.09Å; P488-I1053 WeakPolarHBondContact O-CG2 3.44Å; L491-I1053 HydrophobicContact CB-CD1 3.27Å; L491-I1053 HydrophobicContact CB-CG1 4.49Å; F492-I1053 HydrophobicContact CD2-CG2 4.48Å; F492-I1053 HydrophobicContact CE2-CG2 3.96Å; F516-I1053 HydrophobicContact CB-CB 4.16Å; F516-I1053 VanDerWaalsContact CB-O 3.26Å; F516-I1053 WeakPolarHBondContact CB-O 3.21Å; F516-I1053 VanDerWaalsContact CD2-O 3.23Å; F516-I1053 WeakPolarHBondContact CD2-O 3.4Å; F516-I1053 PolarHBondContact N-O 3.09Å; F516-I1053 VanDerWaalsContact N-O 3.12Å; F516-I1053 PolarHBondContact O-N 2.78Å; R1051-I1053 HydrophobicContact CB-CG1 4.4Å; R1051-I1053 PolarHBondContact O-N 3.48Å; R1051-I1053 VanDerWaalsContact O-N 3.1Å; I1053-T1055 WeakPolarHBondContact CG2-OG1 3.24Å; I1053-T1055 PolarHBondContact O-N 3.1Å; I1053-T1055 VanDerWaalsContact O-N 3.09Å
1054	I	27.5	Very low	24.6	Very low	30 Å²	30	87.4 Å²	87.4	15%	0.154	48%	0.482	C	S	.	.			trans	-82.7	79.6	162.8	-52	-162.3	0	0	0	105.6	F487 I513 I515 I1052 V1056	F487-I1054 HydrophobicContact CB-CB 4.31Å; F487-I1054 HydrophobicContact CD1-CB 3.37Å; F487-I1054 HydrophobicContact CD1-CD1 3.59Å; F487-I1054 HydrophobicContact CD1-CG1 3.45Å; F487-I1054 VanDerWaalsContact CD1-CG1 3.45Å; F487-I1054 HydrophobicContact CD1-CG2 4.3Å; F487-I1054 HydrophobicContact CE1-CB 3.82Å; F487-I1054 HydrophobicContact CE1-CD1 3.08Å; F487-I1054 HydrophobicContact CE1-CG1 3.55Å; F487-I1054 HydrophobicContact CE1-CG2 4.45Å; F487-I1054 HydrophobicContact CG-CB 3.92Å; F487-I1054 HydrophobicContact CG-CG1 4.46Å; F487-I1054 HydrophobicContact CZ-CD1 3.85Å; I513-I1054 HydrophobicContact CG2-CG2 3.41Å; I513-I1054 VanDerWaalsContact CG2-CG2 3.41Å; I515-I1054 HydrophobicContact CB-CD1 4.46Å; I515-I1054 HydrophobicContact CB-CG1 4.46Å; I515-I1054 HydrophobicContact CD1-CD1 4.13Å; I515-I1054 HydrophobicContact CG1-CD1 3.93Å; I515-I1054 HydrophobicContact CG1-CG1 4.29Å; I515-I1054 HydrophobicContact CG2-CD1 3.99Å; I515-I1054 HydrophobicContact CG2-CG1 3.98Å; I1052-I1054 HydrophobicContact CG2-CD1 4.38Å; I1052-I1054 HydrophobicContact CG2-CG1 3.7Å; I1054-V1056 PolarHBondContact O-N 3.11Å
1055	T	26.9	Very low	24.8	Very low	16 Å²	16	90.4 Å²	90.4	10%	0.098	49%	0.489	C	S	.	.			trans	-79.6	108	163.1	-64.8	0	0	0	0	106.7	F492 I1053 L1057	F492-T1055 HydrophobicContact CD2-CG2 4.22Å; F492-T1055 VanDerWaalsContact CE2-CB 3.45Å; F492-T1055 HydrophobicContact CE2-CG2 3.67Å; F492-T1055 VanDerWaalsContact CE2-OG1 3.24Å; F492-T1055 WeakPolarHBondContact CE2-OG1 3.48Å; F492-T1055 HydrophobicContact CZ-CG2 4.32Å; I1053-T1055 WeakPolarHBondContact CG2-OG1 3.24Å; I1053-T1055 PolarHBondContact O-N 3.1Å; I1053-T1055 VanDerWaalsContact O-N 3.09Å; T1055-L1057 PolarHBondContact O-N 3.02Å
1056	V	27.4	Very low	24.8	Very low	45 Å²	45	86.7 Å²	86.7	27%	0.273	49%	0.485	S	S	.	.			trans	-65.3	110.8	150.5	-178.5	0	0	0	0	103.9	I1054 L1058 L1145	I1054-V1056 PolarHBondContact O-N 3.11Å; V1056-L1058 PolarHBondContact O-N 3.44Å; V1056-L1145 HydrophobicContact CG1-CD2 3.79Å
1057	L	24.2	Very low	24.7	Very low	50 Å²	50	86.8 Å²	86.8	26%	0.262	49%	0.492	S	S	.	.			trans	-52.6	109.8	-178.6	-72.3	156.3	0	0	0	108.4	F492 E499 K503 T1055	F492-L1057 HydrophobicContact CZ-CD2 4.46Å; E499-L1057 HydrophobicContact CG-CD2 3.3Å; E499-L1057 WeakPolarHBondContact OE1-CD2 3.5Å; K503-L1057 HydrophobicContact CG-CD1 3.95Å; K503-L1057 HydrophobicContact CG-CD2 4.24Å; T1055-L1057 PolarHBondContact O-N 3.02Å
1058	L	24.5	Very low	24.7	Very low	80 Å²	80	88.7 Å²	88.7	42%	0.419	50%	0.495	S	S	.	.			trans	-86.7	124.8	178.4	-69.7	168.3	0	0	0	107.1	V1056 L1145	V1056-L1058 PolarHBondContact O-N 3.44Å; L1058-L1145 HydrophobicContact CD2-CD2 4.48Å
1059	D	24.1	Very low	24.6	Very low	98 Å²	98	97.2 Å²	97.2	52%	0.524	52%	0.522	S	S	.	.			trans	-105.9	113.1	162.7	-148.7	-2.5	0	0	0	108.4
1060	K	20.4	Very low	24.5	Very low	186 Å²	186	103.8 Å²	103.8	81%	0.809	55%	0.545	S	S	*	.			trans	-89.4	102.2	173.9	-97.2	-179.4	173.5	174.3	0	107.2	T1062	K1060-T1062 PolarHBondContact O-N 3.12Å
1061	Q	22.6	Very low	24.2	Very low	148 Å²	148	110.4 Å²	110.4	69%	0.692	57%	0.573	S	S	*	*			trans	-82.7	109.7	154.5	-86	-74.1	-27.1	0	0	108.6
1062	T	20.9	Very low	23.9	Very low	123 Å²	123	111.6 Å²	111.6	76%	0.755	59%	0.594	S	S	*	*			trans	-65.4	113.9	158.3	41.2	0	0	0	0	109.4	K1060	K1060-T1062 PolarHBondContact O-N 3.12Å
1063	E	25.1	Very low	23.5	Very low	170 Å²	170	116.8 Å²	116.8	79%	0.794	63%	0.627	S	S	*	*			trans	-131.5	120.3	152.6	-85.2	-166.4	161	0	0	110.7	L1065	E1063-L1065 PolarHBondContact O-N 3.22Å; E1063-L1065 VanDerWaalsContact O-N 3.09Å
1064	D	22.3	Very low	23	Very low	169 Å²	169	127.7 Å²	127.7	90%	0.904	67%	0.667	S	S	*	*			trans	-50.4	100	165.5	-105.5	-35.1	0	0	0	110.6
1065	L	24.1	Very low	22.7	Very low	162 Å²	162	133.9 Å²	133.9	85%	0.848	70%	0.7	S	S	*	*			trans	-126.8	101	156.7	-86.3	165.6	0	0	0	108.5	E1063	E1063-L1065 PolarHBondContact O-N 3.22Å; E1063-L1065 VanDerWaalsContact O-N 3.09Å
1066	G	22.1	Very low	22.4	Very low	69 Å²	69	140.2 Å²	140.2	71%	0.711	73%	0.733	S	S	*	*			trans	-54.9	147.4	-178.7	0	0	0	0	0	113.9
1067	A	21.2	Very low	22	Very low	108 Å²	108	145.7 Å²	145.7	89%	0.893	76%	0.76	S	S	*	*			trans	37.4	90.2	143.1	0	0	0	0	0	117
1068	S	23.2	Very low	21.7	Very low	105 Å²	105	154.4 Å²	154.4	73%	0.734	79%	0.79	S	S	*	*			trans	-138.6	103.7	142.8	-150.6	0	0	0	0	110.7	K1070	S1068-K1070 PolarHBondContact O-N 3.41Å; S1068-K1070 VanDerWaalsContact O-N 3.09Å
1069	R	20.7	Very low	21.6	Very low	253 Å²	253	157.4 Å²	157.4	96%	0.955	81%	0.811	S	S	*	*			trans	-49	110	160.2	-81.9	172.7	165.1	172.2	-4.7	108.7
1070	K	24.4	Very low	21.5	Very low	190 Å²	190	158 Å²	158	83%	0.826	82%	0.823	S	S	*	*			trans	-131.8	131.1	153.4	-80	-169.7	178.5	175.9	0	110.5	S1068	S1068-K1070 PolarHBondContact O-N 3.41Å; S1068-K1070 VanDerWaalsContact O-N 3.09Å
1071	Q	22.5	Very low	21.5	Very low	174 Å²	174	155 Å²	155	81%	0.813	82%	0.824	S	S	*	*			trans	-62.6	134.6	-167.2	-73.6	151.8	-34.7	0	0	112	T1073	Q1071-T1073 PolarHBondContact O-N 3.1Å; Q1071-T1073 PolarHBondContact O-OG1 2.71Å
1072	T	19.3	Very low	21.5	Very low	149 Å²	149	155.8 Å²	155.8	91%	0.914	83%	0.832	S	S	*	*			trans	-42.2	102.2	148.7	23.7	0	0	0	0	110.2
1073	T	20.3	Very low	21.7	Very low	124 Å²	124	155.4 Å²	155.4	76%	0.761	83%	0.832	S	S	*	*			trans	-106.4	116.8	166.9	-2.5	0	0	0	0	108.1	Q1071 L1075	Q1071-T1073 PolarHBondContact O-N 3.1Å; Q1071-T1073 PolarHBondContact O-OG1 2.71Å; T1073-L1075 PolarHBondContact O-N 3.23Å
1074	R	20.1	Very low	21.6	Very low	233 Å²	233	153.3 Å²	153.3	88%	0.879	84%	0.835	S	S	*	*			trans	-46.5	122.7	171.2	-82.7	172	160.3	161.4	-7.5	110.2	D1076	R1074-D1076 PolarHBondContact O-N 3.49Å
1075	L	19.9	Very low	21.5	Very low	159 Å²	159	156.9 Å²	156.9	83%	0.832	84%	0.836	S	S	*	*			trans	-73.1	97.7	160.5	-105.6	83.6	0	0	0	107.8	T1073	T1073-L1075 PolarHBondContact O-N 3.23Å
1076	D	20.9	Very low	21.5	Very low	149 Å²	149	157 Å²	157	80%	0.797	84%	0.836	S	S	*	*			trans	-86.8	111.5	162.9	-102.6	-40.4	0	0	0	108.9	R1074 R1078	R1074-D1076 PolarHBondContact O-N 3.49Å; D1076-R1078 PolarHBondContact O-N 2.95Å
1077	L	19.6	Very low	21.6	Very low	161 Å²	161	159.2 Å²	159.2	84%	0.843	84%	0.838	S	S	*	*			trans	-72.9	77.9	179.7	-77.6	152	0	0	0	111.2
1078	R	18.8	Very low	21.6	Very low	233 Å²	233	163.2 Å²	163.2	88%	0.879	84%	0.838	S	S	*	*			trans	-151.1	86.6	166.7	-76.5	-167.6	-179.7	178.8	1.7	112.6	D1076	D1076-R1078 PolarHBondContact O-N 2.95Å
1079	T	21.6	Very low	21.6	Very low	143 Å²	143	165.7 Å²	165.7	88%	0.877	84%	0.841	S	S	*	*			trans	-145.2	102.6	152.1	35.1	0	0	0	0	110.1
1080	S	21.1	Very low	21.6	Very low	111 Å²	111	158.8 Å²	158.8	78%	0.776	83%	0.832	S	S	*	*			trans	-50	135.3	158.3	45.5	0	0	0	0	112.4
1081	C	21.2	Very low	21.6	Very low	121 Å²	121	155.9 Å²	155.9	82%	0.818	83%	0.83	S	S	*	*			trans	23.8	110.9	146.3	-63.1	0	0	0	0	118.7
1082	L	21.7	Very low	21.7	Very low	165 Å²	165	156.8 Å²	156.8	86%	0.864	83%	0.834	S	S	*	*			trans	-149.9	107.2	143	-105.5	143.7	0	0	0	108.6	C1084	L1082-C1084 PolarHBondContact O-N 3.14Å
1083	P	25.3	Very low	22	Very low	116 Å²	116	154.3 Å²	154.3	75%	0.753	83%	0.829	S	S	*	*			trans	-79.1	118.5	175.2	29.1	-28.6	0	0	0	109.7	R1085	P1083-R1085 PolarHBondContact O-N 3.09Å
1084	C	22.8	Very low	22.1	Very low	126 Å²	126	153.8 Å²	153.8	85%	0.851	83%	0.83	S	S	*	*			trans	-67	113.2	175.9	-68.6	0	0	0	0	110.5	L1082 L1086	L1082-C1084 PolarHBondContact O-N 3.14Å; C1084-L1086 PolarHBondContact O-N 3.14Å
1085	R	21.7	Very low	22.3	Very low	244 Å²	244	148.9 Å²	148.9	92%	0.921	83%	0.829	S	S	*	*			trans	-59.6	121.3	164.1	-67.3	178.5	173.3	-175.6	-3.1	109.3	P1083	P1083-R1085 PolarHBondContact O-N 3.09Å
1086	L	23.3	Very low	22.5	Very low	165 Å²	165	146 Å²	146	86%	0.864	83%	0.827	S	S	*	*			trans	-109.8	138.4	156.5	-83.1	168.9	0	0	0	108.7	C1084	C1084-L1086 PolarHBondContact O-N 3.14Å
1087	P	23.8	Very low	22.6	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	83%	0.829	S	S	*	*			trans	-85.3	146.5	-162.8	-3.8	24.2	0	0	0	112.6	I1089	P1087-I1089 PolarHBondContact O-N 2.77Å
1088	E	21.2	Very low	22.7	Very low	193 Å²	193	143 Å²	143	90%	0.902	83%	0.831	S	S	*	*			trans	-54.6	121.3	173.1	-63.7	166.4	157.9	0	0	111.7
1089	I	23.8	Very low	22.8	Very low	157 Å²	157	139.1 Å²	139.1	81%	0.805	83%	0.827	S	S	*	*			trans	-104.2	103.1	158.8	-63.8	177.6	0	0	0	106.7	P1087 T1091	P1087-I1089 PolarHBondContact O-N 2.77Å; I1089-T1091 PolarHBondContact O-N 2.85Å
1090	S	21.2	Very low	22.8	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	82%	0.821	S	S	*	*			trans	-74.9	113.7	171.4	63	0	0	0	0	109.8
1091	T	24.5	Very low	23	Very low	128 Å²	128	141.6 Å²	141.6	79%	0.785	82%	0.824	S	S	*	*			trans	-128.1	102.7	156.9	33.8	0	0	0	0	108.7	I1089 A1093	I1089-T1091 PolarHBondContact O-N 2.85Å; T1091-A1093 PolarHBondContact O-N 2.75Å
1092	Q	23.6	Very low	23	Very low	193 Å²	193	147.7 Å²	147.7	90%	0.902	83%	0.83	S	S	*	*			trans	-59	121.5	164.4	-64.7	174.1	-6.4	0	0	108.6
1093	A	24.9	Very low	23.1	Very low	97 Å²	97	146.5 Å²	146.5	80%	0.802	83%	0.829	S	S	*	*			trans	-137.7	109	160.6	0	0	0	0	0	107.8	T1091	T1091-A1093 PolarHBondContact O-N 2.75Å
1094	S	23.6	Very low	23	Very low	113 Å²	113	149.6 Å²	149.6	79%	0.79	83%	0.834	S	S	*	*			trans	-63.7	152.7	-176.5	-35.4	0	0	0	0	112.1	A1096	S1094-A1096 PolarHBondContact O-N 2.99Å
1095	P	23.6	Very low	22.9	Very low	131 Å²	131	149.6 Å²	149.6	85%	0.851	83%	0.832	S	S	*	*			trans	-85.5	112.3	-170.4	29.7	-24.1	0	0	0	111.4	S1097	P1095-S1097 PolarHBondContact O-N 3.35Å
1096	A	25	Very low	23	Very low	97 Å²	97	146.1 Å²	146.1	80%	0.802	83%	0.831	S	S	*	*			trans	-84.6	108.8	169.4	0	0	0	0	0	109.9	S1094 C1098	S1094-A1096 PolarHBondContact O-N 2.99Å; A1096-C1098 PolarHBondContact O-N 3.18Å
1097	S	21.7	Very low	23	Very low	118 Å²	118	143.3 Å²	143.3	83%	0.825	82%	0.822	S	S	*	*			trans	-59.5	111.3	165.7	55.8	0	0	0	0	110.6	P1095	P1095-S1097 PolarHBondContact O-N 3.35Å
1098	C	21.6	Very low	22.8	Very low	130 Å²	130	144 Å²	144	88%	0.878	82%	0.824	S	S	*	*			trans	-123.4	112.3	166.9	-105.5	0	0	0	0	110.3	A1096	A1096-C1098 PolarHBondContact O-N 3.18Å
1099	N	22.7	Very low	22.9	Very low	152 Å²	152	142.1 Å²	142.1	81%	0.813	82%	0.821	S	S	*	*			trans	-60.8	140.6	-176.1	-133.5	-19.5	0	0	0	111.8	K1101	N1099-K1101 PolarHBondContact O-N 2.71Å
1100	P	21.7	Very low	22.8	Very low	116 Å²	116	145.7 Å²	145.7	75%	0.753	82%	0.824	S	S	*	*			trans	-81.5	101.4	-176.5	31.6	-27.5	0	0	0	110
1101	K	24.1	Very low	22.9	Very low	190 Å²	190	151.8 Å²	151.8	83%	0.826	83%	0.83	S	S	*	*			trans	-96.4	109.2	168	-82.5	-174	177.8	178.2	0	110.2	N1099 T1103	N1099-K1101 PolarHBondContact O-N 2.71Å; K1101-T1103 PolarHBondContact O-N 3.4Å
1102	R	21.8	Very low	22.8	Very low	249 Å²	249	155.3 Å²	155.3	94%	0.94	84%	0.84	S	S	*	*			trans	6.9	104	142.8	-73.4	176.5	173.1	175.6	-2.4	114.7
1103	T	23.6	Very low	22.6	Very low	140 Å²	140	148.8 Å²	148.8	86%	0.859	83%	0.825	S	S	*	*			trans	-124.8	118.3	151.9	36.1	0	0	0	0	108	K1101	K1101-T1103 PolarHBondContact O-N 3.4Å
1104	Q	22.7	Very low	22.6	Very low	181 Å²	181	153.1 Å²	153.1	85%	0.846	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-62	153.5	-178.8	-70.9	-178.4	-20.1	0	0	111.7	L1106	Q1104-L1106 PolarHBondContact O-N 2.85Å
1105	P	21.8	Very low	22.6	Very low	126 Å²	126	155.3 Å²	155.3	82%	0.818	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-77.1	118.2	-178.8	17.3	-5.7	0	0	0	110.3
1106	L	22.3	Very low	22.5	Very low	170 Å²	170	155.5 Å²	155.5	89%	0.89	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-78.9	135	168.9	-84.8	160.5	0	0	0	110.1	Q1104	Q1104-L1106 PolarHBondContact O-N 2.85Å
1107	P	23.1	Very low	22.3	Very low	106 Å²	106	155.2 Å²	155.2	69%	0.688	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-87.5	142.5	-172	3.6	16	0	0	0	113.2
1108	V	20.6	Very low	22.4	Very low	129 Å²	129	156.8 Å²	156.8	78%	0.782	83%	0.83	S	S	*	*			trans	36.4	96.3	140.9	-169.9	0	0	0	0	116.4
1109	N	23.3	Very low	22.4	Very low	154 Å²	154	156.9 Å²	156.9	82%	0.824	82%	0.821	S	S	*	*			trans	-114.7	109.4	153	-109.3	-31.3	0	0	0	109.6	R1111	N1109-R1111 PolarHBondContact O-N 2.76Å; N1109-R1111 VanDerWaalsContact O-N 3.12Å
1110	R	21.8	Very low	22.2	Very low	231 Å²	231	157.4 Å²	157.4	87%	0.872	83%	0.825	S	S	*	*			trans	-55.9	108	165.2	-71.1	173.1	174.3	162.7	-2.2	108.4
1111	R	23.8	Very low	22.2	Very low	236 Å²	236	162.1 Å²	162.1	89%	0.891	83%	0.827	S	S	*	*			trans	-120.4	84.2	156.4	-79.3	-169.7	-171.2	-178.9	3.6	108.3	N1109 G1113	N1109-R1111 PolarHBondContact O-N 2.76Å; N1109-R1111 VanDerWaalsContact O-N 3.12Å; R1111-G1113 VanDerWaalsContact C-N 3.34Å; R1111-G1113 PolarHBondContact O-N 2.92Å
1112	M	20.8	Very low	22.1	Very low	203 Å²	203	159.3 Å²	159.3	100%	1	83%	0.826	S	S	*	*			trans	-76.9	94.3	152.9	-144.4	107.4	115	0	0	104.7
1113	G	21.3	Very low	22.1	Very low	55 Å²	55	153.4 Å²	153.4	57%	0.567	82%	0.817	S	S	*	*			trans	-135.2	99.9	171.2	0	0	0	0	0	105.6	R1111	R1111-G1113 VanDerWaalsContact C-N 3.34Å; R1111-G1113 PolarHBondContact O-N 2.92Å
1114	E	23.4	Very low	22	Very low	188 Å²	188	156 Å²	156	88%	0.879	82%	0.82	S	S	*	*				60.9	81.3	101.2	-70.2	-176.5	171.9	0	0	111.3
1115	N	24	Very low	22	Very low	159 Å²	159	150.4 Å²	150.4	85%	0.85	81%	0.811	S	S	*	*			trans	-137.5	63.5	149.3	-91.8	-21.1	0	0	0	106.8
1116	C	20.9	Very low	22.1	Very low	136 Å²	136	152.5 Å²	152.5	92%	0.919	82%	0.815	S	S	*	*			trans	-123.2	71.6	163.8	-155.3	0	0	0	0	105.9
1117	S	21.5	Very low	22.2	Very low	90 Å²	90	154.1 Å²	154.1	63%	0.629	82%	0.815	S	S	*	*			trans	-132	62.2	-176.9	49.9	0	0	0	0	109.3
1118	V	23.4	Very low	22.2	Very low	151 Å²	151	152.5 Å²	152.5	92%	0.915	82%	0.817	S	S	*	*			trans	-101.4	111	158.4	-178.8	0	0	0	0	106.8
1119	L	21.3	Very low	22.4	Very low	132 Å²	132	153.4 Å²	153.4	69%	0.691	82%	0.824	S	S	*	*			trans	-45.4	126	-170.5	-79.2	85.4	0	0	0	114.9	R1121	L1119-R1121 HydrophobicContact CD2-CG 4.47Å; L1119-R1121 PolarHBondContact O-N 2.92Å
1120	N	19.5	Very low	22.5	Very low	164 Å²	164	156.2 Å²	156.2	88%	0.877	83%	0.828	S	S	*	*			trans	-63.5	105.6	145	-90.4	-18.3	0	0	0	108.5
1121	R	21.9	Very low	22.4	Very low	214 Å²	214	148.9 Å²	148.9	81%	0.808	83%	0.825	S	S	*	*			trans	-101.7	99.1	154.6	-85.3	-173	-179	177.2	0.9	108.2	L1119 V1123	L1119-R1121 HydrophobicContact CD2-CG 4.47Å; L1119-R1121 PolarHBondContact O-N 2.92Å; R1121-V1123 PolarHBondContact O-N 2.95Å
1122	T	21.2	Very low	22.4	Very low	131 Å²	131	143.3 Å²	143.3	80%	0.804	82%	0.822	S	S	*	*			trans	-54.3	117.9	156.6	8.8	0	0	0	0	108.8
1123	V	22.8	Very low	22.4	Very low	125 Å²	125	144.1 Å²	144.1	76%	0.758	81%	0.814	S	S	*	*			trans	-123.6	92.2	160.6	-179.5	0	0	0	0	105.9	R1121	R1121-V1123 PolarHBondContact O-N 2.95Å
1124	E	21.8	Very low	22.4	Very low	194 Å²	194	146.7 Å²	146.7	91%	0.907	82%	0.823	S	S	*	*			trans	-69.3	124.9	151.4	-72.6	179.3	150.9	0	0	106.7
1125	G	21.6	Very low	22.4	Very low	64 Å²	64	143.8 Å²	143.8	66%	0.66	81%	0.809	S	S	*	*			trans	144.7	105.4	173.5	0	0	0	0	0	113.9
1126	D	23.7	Very low	22.2	Very low	170 Å²	170	142.8 Å²	142.8	91%	0.909	81%	0.809	S	S	*	*			trans	93.1	130.5	151.1	-101	-20.9	0	0	0	122.1
1127	K	24.4	Very low	22.2	Very low	205 Å²	205	145 Å²	145	89%	0.891	80%	0.798	S	S	*	*			trans	-74.6	132.5	-178.6	-66.4	174.1	176.4	175.2	0	109.4
1128	G	22.8	Very low	22.2	Very low	71 Å²	71	144.2 Å²	144.2	73%	0.732	80%	0.797	S	S	*	*			trans	97.6	74.2	150.2	0	0	0	0	0	116.2
1129	T	24.4	Very low	22.2	Very low	149 Å²	149	142.8 Å²	142.8	91%	0.914	79%	0.788	S	S	*	*			trans	-152.3	135.3	136.7	-24.1	0	0	0	0	109.8	G1131	T1129-G1131 PolarHBondContact O-N 3.36Å
1130	K	25.5	Very low	22.7	Very low	213 Å²	213	142.7 Å²	142.7	93%	0.926	78%	0.78	S	S	*	*			trans	-52.5	118.9	-174.4	-69.4	172.8	175.2	176.9	0	111	S1132	K1130-S1132 PolarHBondContact O-N 2.8Å; K1130-S1132 VanDerWaalsContact O-N 3.14Å
1131	G	21.4	Very low	23.3	Very low	77 Å²	77	138.4 Å²	138.4	79%	0.794	76%	0.757	S	S	*	*			trans	-66.3	107.8	176.9	0	0	0	0	0	111.6	T1129 R1133	T1129-G1131 PolarHBondContact O-N 3.36Å; G1131-R1133 VanDerWaalsContact C-N 3.33Å; G1131-R1133 PolarHBondContact O-N 3.13Å; G1131-R1133 VanDerWaalsContact O-N 3.12Å
1132	S	23.3	Very low	23.8	Very low	119 Å²	119	136.5 Å²	136.5	83%	0.832	76%	0.757	S	S	*	*			trans	-72.9	91.5	159.4	60.4	0	0	0	0	107.9	K1130 S1134	K1130-S1132 PolarHBondContact O-N 2.8Å; K1130-S1132 VanDerWaalsContact O-N 3.14Å; S1132-S1134 PolarHBondContact O-N 2.65Å; S1132-S1134 VanDerWaalsContact O-N 3.11Å
1133	R	21.3	Very low	24.4	Very low	220 Å²	220	138 Å²	138	83%	0.83	76%	0.755	S	S	*	*			trans	-72.3	98.9	171.1	-162.4	173	169.8	151	-2.1	106.5	G1131 E1135	G1131-R1133 VanDerWaalsContact C-N 3.33Å; G1131-R1133 PolarHBondContact O-N 3.13Å; G1131-R1133 VanDerWaalsContact O-N 3.12Å; R1133-E1135 VanDerWaalsContact C-N 3.31Å; R1133-E1135 PolarHBondContact O-N 2.86Å
1134	S	21.4	Very low	24.9	Very low	109 Å²	109	133.8 Å²	133.8	76%	0.762	73%	0.729	S	S	*	*			trans	-69.9	90.5	174.6	69	0	0	0	0	109	S1132 V1136	S1132-S1134 PolarHBondContact O-N 2.65Å; S1132-S1134 VanDerWaalsContact O-N 3.11Å; S1134-V1136 PolarHBondContact O-N 2.98Å
1135	E	21.9	Very low	25.4	Very low	126 Å²	126	126.9 Å²	126.9	59%	0.589	70%	0.698	S	S	*	*			trans	-68.8	120.6	163.6	-73.2	174.6	169.5	0	0	107.4	R1133 W1137	R1133-E1135 VanDerWaalsContact C-N 3.31Å; R1133-E1135 PolarHBondContact O-N 2.86Å; E1135-W1137 PolarHBondContact O-N 3.34Å; E1135-W1137 PolarHBondContact O-NE1 2.79Å
1136	V	19.9	Very low	26.2	Very low	139 Å²	139	126.5 Å²	126.5	84%	0.842	69%	0.689	S	S	*	*			trans	-80	103.7	179.9	176.8	0	0	0	0	107.2	S1134	S1134-V1136 PolarHBondContact O-N 2.98Å
1137	W	20.2	Very low	26.8	Very low	183 Å²	183	122 Å²	122	69%	0.693	67%	0.665	S	S	*	*			trans	-80	119.2	173.8	-58.9	74.3	0	0	0	108	E1135 V1139	E1135-W1137 PolarHBondContact O-N 3.34Å; E1135-W1137 PolarHBondContact O-NE1 2.79Å; W1137-V1139 PolarHBondContact O-N 2.94Å; W1137-V1139 VanDerWaalsContact O-N 3.09Å
1138	A	21.6	Very low	27.4	Very low	73 Å²	73	113.1 Å²	113.1	60%	0.603	63%	0.628	S	S	*	*			trans	-74.2	99.2	171.4	0	0	0	0	0	108.4
1139	V	23.7	Very low	28.1	Very low	121 Å²	121	117.4 Å²	117.4	73%	0.733	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-72.7	123.5	173.4	179.4	0	0	0	0	108.4	W1137	W1137-V1139 PolarHBondContact O-N 2.94Å; W1137-V1139 VanDerWaalsContact O-N 3.09Å
1140	Y	31.3	Very low	28.8	Very low	130 Å²	130	113.5 Å²	113.5	51%	0.51	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-87.8	133.7	166.7	-65.2	-83.4	0	0	0	108.8	T1144	Y1140-T1144 HydrophobicContact CD1-CG2 4.3Å
1141	D	32.8	Very low	29.3	Very low	74 Å²	74	105 Å²	105	40%	0.396	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-77.8	159.9	173.3	70	85.8	0	0	0	111.5	E1143 T1144 L1145	D1141-E1143 VanDerWaalsContact C-N 3.26Å; D1141-E1143 PolarHBondContact O-N 2.57Å; D1141-E1143 VanDerWaalsContact OD1-CA 3.25Å; D1141-E1143 WeakPolarHBondContact OD1-CA 3.42Å; D1141-E1143 WeakPolarHBondContact OD1-CB 3.5Å; D1141-E1143 PolarHBondContact OD1-N 2.79Å; D1141-T1144 PolarHBondContact O-N 3.34Å; D1141-T1144 PolarHBondContact OD1-N 2.75Å; D1141-T1144 PolarHBondContact OD1-OG1 3.22Å; D1141-T1144 PolarHBondContact OD2-OG1 2.77Å; D1141-L1145 PolarHBondContact O-N 2.85Å
1142	E	33.1	Very low	30	Very low	173 Å²	173	102 Å²	102	81%	0.808	53%	0.531	S	S	*	.	H	α-helix	trans	-64.8	-28.1	-178.3	-134.7	-155.6	-170.7	0	0	113.1	T1144 L1145 A1146	E1142-T1144 VanDerWaalsContact C-N 3.35Å; E1142-L1145 WeakPolarHBondContact O-CB 3.44Å; E1142-L1145 PolarHBondContact O-N 3.42Å; E1142-A1146 WeakPolarHBondContact O-CB 3.24Å; E1142-A1146 PolarHBondContact O-N 3.31Å
1143	E	34.2	Very low	30.7	Very low	164 Å²	164	98.5 Å²	98.5	77%	0.766	50%	0.502	S	S	*	.	H	α-helix	trans	-68.2	-37.5	178.1	-51.7	-178.7	142.1	0	0	110.5	D1141 A1146 L1147	D1141-E1143 VanDerWaalsContact C-N 3.26Å; D1141-E1143 PolarHBondContact O-N 2.57Å; D1141-E1143 VanDerWaalsContact OD1-CA 3.25Å; D1141-E1143 WeakPolarHBondContact OD1-CA 3.42Å; D1141-E1143 WeakPolarHBondContact OD1-CB 3.5Å; D1141-E1143 PolarHBondContact OD1-N 2.79Å; E1143-A1146 PolarHBondContact O-N 2.92Å; E1143-L1147 WeakPolarHBondContact O-CB 3.46Å; E1143-L1147 PolarHBondContact O-N 3.1Å
1144	T	31.8	Very low	31.4	Very low	35 Å²	35	92.6 Å²	92.6	22%	0.215	48%	0.483	C	S	.	.	H	α-helix	trans	-66.1	-40	175.3	-62.4	0	0	0	0	112	Y1140 D1141 E1142 L1147 C1148	Y1140-T1144 HydrophobicContact CD1-CG2 4.3Å; D1141-T1144 PolarHBondContact O-N 3.34Å; D1141-T1144 PolarHBondContact OD1-N 2.75Å; D1141-T1144 PolarHBondContact OD1-OG1 3.22Å; D1141-T1144 PolarHBondContact OD2-OG1 2.77Å; E1142-T1144 VanDerWaalsContact C-N 3.35Å; T1144-L1147 WeakPolarHBondContact O-CB 3.29Å; T1144-L1147 PolarHBondContact O-N 3.1Å; T1144-C1148 PolarHBondContact O-N 3.19Å
1145	L	34	Very low	32.1	Very low	49 Å²	49	87.4 Å²	87.4	26%	0.257	45%	0.446	S	S	.	.	H	α-helix	trans	-63	-45.7	172.3	-95.5	156.3	0	0	0	111.9	V1056 L1058 D1141 E1142 L1147 C1148 R1149	V1056-L1145 HydrophobicContact CG1-CD2 3.79Å; L1058-L1145 HydrophobicContact CD2-CD2 4.48Å; D1141-L1145 PolarHBondContact O-N 2.85Å; E1142-L1145 WeakPolarHBondContact O-CB 3.44Å; E1142-L1145 PolarHBondContact O-N 3.42Å; L1145-L1147 VanDerWaalsContact C-N 3.26Å; L1145-L1147 PolarHBondContact O-N 3.45Å; L1145-C1148 PolarHBondContact O-N 3.28Å; L1145-R1149 PolarHBondContact O-N 2.95Å; L1145-R1149 VanDerWaalsContact O-N 3.1Å
1146	A	37.2	Very low	32.6	Very low	56 Å²	56	82.2 Å²	82.2	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-60	-39.5	173.3	0	0	0	0	0	110.4	E1142 E1143 L1150	E1142-A1146 WeakPolarHBondContact O-CB 3.24Å; E1142-A1146 PolarHBondContact O-N 3.31Å; E1143-A1146 PolarHBondContact O-N 2.92Å; A1146-L1150 WeakPolarHBondContact O-CA 3.16Å; A1146-L1150 WeakPolarHBondContact O-CB 3.33Å; A1146-L1150 PolarHBondContact O-N 3.27Å
1147	L	37.5	Very low	33.3	Very low	76 Å²	76	80 Å²	80	40%	0.398	41%	0.405	S	S	.	.	H	α-helix	trans	-68.2	-37.2	179.6	-155.8	81.4	0	0	0	113.2	E1143 T1144 L1145 L1150 S1151	E1143-L1147 WeakPolarHBondContact O-CB 3.46Å; E1143-L1147 PolarHBondContact O-N 3.1Å; T1144-L1147 WeakPolarHBondContact O-CB 3.29Å; T1144-L1147 PolarHBondContact O-N 3.1Å; L1145-L1147 VanDerWaalsContact C-N 3.26Å; L1145-L1147 PolarHBondContact O-N 3.45Å; L1147-L1150 CarbonylContact O-C 3.58Å; L1147-L1150 PolarHBondContact O-N 2.77Å; L1147-S1151 WeakPolarHBondContact O-CA 3.37Å; L1147-S1151 VanDerWaalsContact O-CB 3.26Å; L1147-S1151 WeakPolarHBondContact O-CB 3.27Å; L1147-S1151 PolarHBondContact O-N 3.2Å; L1147-S1151 PolarHBondContact O-OG 3.27Å
1148	C	35.4	Very low	34	Very low	19 Å²	19	77.7 Å²	77.7	13%	0.128	40%	0.4	C	S	.	.	H	α-helix	trans	-70.5	-44.1	175.6	-79	0	0	0	0	112.1	T1144 L1145 L1150 S1151 A1152	T1144-C1148 PolarHBondContact O-N 3.19Å; L1145-C1148 PolarHBondContact O-N 3.28Å; C1148-L1150 VanDerWaalsContact C-N 3.31Å; C1148-S1151 PolarHBondContact O-N 3.27Å; C1148-A1152 PolarHBondContact O-N 3.14Å
1149	R	37.6	Very low	34.7	Very low	160 Å²	160	75.2 Å²	75.2	60%	0.604	38%	0.377	S	S	*	.	H	α-helix	trans	-58.5	-46.6	169.1	-90.9	-178.2	173.2	159.4	0.4	110.7	L1145 S1151 A1152 L1153	L1145-R1149 PolarHBondContact O-N 2.95Å; L1145-R1149 VanDerWaalsContact O-N 3.1Å; R1149-S1151 VanDerWaalsContact C-N 3.27Å; R1149-S1151 PolarHBondContact O-N 3.14Å; R1149-A1152 CarbonylContact O-C 3.51Å; R1149-A1152 PolarHBondContact O-N 3.46Å; R1149-L1153 VanDerWaalsContact O-CB 3.27Å; R1149-L1153 WeakPolarHBondContact O-CB 3.34Å; R1149-L1153 WeakPolarHBondContact O-CD1 3.39Å; R1149-L1153 WeakPolarHBondContact O-CG 3.46Å; R1149-L1153 PolarHBondContact O-N 2.97Å
1150	L	39.3	Very low	35	Very low	67 Å²	67	73 Å²	73	35%	0.351	37%	0.371	S	S	.	.	H	α-helix	trans	-66.4	-29.1	178.4	-173	66.5	0	0	0	111.4	A1146 L1147 C1148 L1153 K1154	A1146-L1150 WeakPolarHBondContact O-CA 3.16Å; A1146-L1150 WeakPolarHBondContact O-CB 3.33Å; A1146-L1150 PolarHBondContact O-N 3.27Å; L1147-L1150 CarbonylContact O-C 3.58Å; L1147-L1150 PolarHBondContact O-N 2.77Å; C1148-L1150 VanDerWaalsContact C-N 3.31Å; L1150-L1153 CarbonylContact O-C 3.57Å; L1150-K1154 HydrophobicContact CD1-CD 4.24Å; L1150-K1154 HydrophobicContact CD1-CG 4.09Å; L1150-K1154 HydrophobicContact CD2-CD 4.22Å; L1150-K1154 VanDerWaalsContact CD2-CE 3.46Å; L1150-K1154 HydrophobicContact CG-CD 3.72Å; L1150-K1154 HydrophobicContact CG-CG 4Å; L1150-K1154 WeakPolarHBondContact O-CA 3.42Å; L1150-K1154 WeakPolarHBondContact O-CB 3.4Å; L1150-K1154 WeakPolarHBondContact O-CG 3.42Å; L1150-K1154 PolarHBondContact O-N 3.23Å
1151	S	36.7	Very low	35	Very low	35 Å²	35	74 Å²	74	25%	0.245	38%	0.381	C	S	.	.	H	α-helix	trans	-74.9	-40.6	173.5	-61.4	0	0	0	0	110.2	L1147 C1148 R1149 L1153 K1154 A1155	L1147-S1151 WeakPolarHBondContact O-CA 3.37Å; L1147-S1151 VanDerWaalsContact O-CB 3.26Å; L1147-S1151 WeakPolarHBondContact O-CB 3.27Å; L1147-S1151 PolarHBondContact O-N 3.2Å; L1147-S1151 PolarHBondContact O-OG 3.27Å; C1148-S1151 PolarHBondContact O-N 3.27Å; R1149-S1151 VanDerWaalsContact C-N 3.27Å; R1149-S1151 PolarHBondContact O-N 3.14Å; S1151-L1153 VanDerWaalsContact C-N 3.27Å; S1151-L1153 PolarHBondContact O-N 3.32Å; S1151-K1154 PolarHBondContact O-N 3.29Å; S1151-A1155 WeakPolarHBondContact O-CA 3.35Å; S1151-A1155 WeakPolarHBondContact O-CB 3.45Å; S1151-A1155 PolarHBondContact O-N 3.33Å
1152	A	36.8	Very low	34.9	Very low	14 Å²	14	75.1 Å²	75.1	12%	0.116	39%	0.394	C	S	.	.	H	α-helix	trans	-64.4	-32	171.6	0	0	0	0	0	112.8	Q483 I513 C1148 R1149 W1156	Q483-A1152 PolarHBondContact NE2-O 3.03Å; I513-A1152 HydrophobicContact CD1-CB 3.84Å; C1148-A1152 PolarHBondContact O-N 3.14Å; R1149-A1152 CarbonylContact O-C 3.51Å; R1149-A1152 PolarHBondContact O-N 3.46Å; A1152-W1156 WeakPolarHBondContact O-CB 3.37Å; A1152-W1156 VanDerWaalsContact O-CE3 3.23Å; A1152-W1156 PolarHBondContact O-N 3.05Å
1153	L	36.9	Very low	34.8	Very low	46 Å²	46	75.1 Å²	75.1	24%	0.241	39%	0.394	C	S	.	.	H	α-helix	trans	-82.6	-36.3	176.1	-70.8	165.7	0	0	0	112.3	E480 R1149 L1150 S1151 W1156 D1157	E480-L1153 HydrophobicContact CG-CD2 4Å; R1149-L1153 VanDerWaalsContact O-CB 3.27Å; R1149-L1153 WeakPolarHBondContact O-CB 3.34Å; R1149-L1153 WeakPolarHBondContact O-CD1 3.39Å; R1149-L1153 WeakPolarHBondContact O-CG 3.46Å; R1149-L1153 PolarHBondContact O-N 2.97Å; L1150-L1153 CarbonylContact O-C 3.57Å; S1151-L1153 VanDerWaalsContact C-N 3.27Å; S1151-L1153 PolarHBondContact O-N 3.32Å; L1153-W1156 CarbonylContact O-C 3.56Å; L1153-W1156 WeakPolarHBondContact O-CA 3.5Å; L1153-W1156 WeakPolarHBondContact O-CB 3.44Å; L1153-W1156 PolarHBondContact O-N 3.3Å; L1153-D1157 PolarHBondContact O-N 3.21Å
1154	K	37.1	Very low	34.8	Very low	96 Å²	96	75.1 Å²	75.1	42%	0.417	39%	0.392	S	S	.	.	H	α-helix	trans	-75	-36.2	175.5	-78.7	174.2	176.1	170.1	0	111.6	L1150 S1151 W1156 D1157 K1158	L1150-K1154 HydrophobicContact CD1-CD 4.24Å; L1150-K1154 HydrophobicContact CD1-CG 4.09Å; L1150-K1154 HydrophobicContact CD2-CD 4.22Å; L1150-K1154 VanDerWaalsContact CD2-CE 3.46Å; L1150-K1154 HydrophobicContact CG-CD 3.72Å; L1150-K1154 HydrophobicContact CG-CG 4Å; L1150-K1154 WeakPolarHBondContact O-CA 3.42Å; L1150-K1154 WeakPolarHBondContact O-CB 3.4Å; L1150-K1154 WeakPolarHBondContact O-CG 3.42Å; L1150-K1154 PolarHBondContact O-N 3.23Å; S1151-K1154 PolarHBondContact O-N 3.29Å; K1154-W1156 PolarHBondContact O-N 3.09Å; K1154-W1156 VanDerWaalsContact O-N 3.16Å; K1154-D1157 PolarHBondContact O-N 3.05Å; K1154-D1157 VanDerWaalsContact O-N 3.16Å; K1154-K1158 WeakPolarHBondContact O-CB 3.37Å; K1154-K1158 PolarHBondContact O-N 2.76Å
1155	A	34.8	Very low	35.2	Very low	0 Å²	0	83.6 Å²	83.6	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-51.3	-31.5	160.8	0	0	0	0	0	112.1	K479 E619 Q623 S1151	K479-A1155 PolarHBondContact NZ-O 3.13Å; E619-A1155 VanDerWaalsContact CB-CA 3.5Å; E619-A1155 HydrophobicContact CB-CB 3.24Å; E619-A1155 VanDerWaalsContact CD-CB 3.48Å; E619-A1155 VanDerWaalsContact CD-N 3.26Å; E619-A1155 VanDerWaalsContact CG-CA 3.45Å; E619-A1155 HydrophobicContact CG-CB 3.22Å; E619-A1155 WeakPolarHBondContact OE1-CA 3.13Å; E619-A1155 PolarHBondContact OE1-N 3.09Å; E619-A1155 WeakPolarHBondContact OE2-CA 3.27Å; Q623-A1155 PolarHBondContact NE2-O 3.4Å; Q623-A1155 VanDerWaalsContact NE2-O 3.1Å; S1151-A1155 WeakPolarHBondContact O-CA 3.35Å; S1151-A1155 WeakPolarHBondContact O-CB 3.45Å; S1151-A1155 PolarHBondContact O-N 3.33Å
1156	W	33.3	Very low	35.8	Very low	17 Å²	17	86.2 Å²	86.2	6%	0.064	44%	0.439	C	S	.	.	H	α-helix	trans	-76.4	-53.6	178.1	-109.7	-120.3	0	0	0	111.1	K479 E480 Q483 L622 V626 A1152 L1153 K1154 K1158	K479-W1156 VanDerWaalsContact CA-NE1 3.27Å; K479-W1156 VanDerWaalsContact CB-CD1 3.46Å; K479-W1156 HydrophobicContact CB-CG 4.41Å; K479-W1156 HydrophobicContact CB-CZ2 4.38Å; K479-W1156 HydrophobicContact CD-CB 4.38Å; K479-W1156 HydrophobicContact CD-CD2 4.22Å; K479-W1156 HydrophobicContact CD-CG 3.84Å; K479-W1156 WeakPolarHBondContact CD-O 3.33Å; K479-W1156 VanDerWaalsContact CE-CA 3.47Å; K479-W1156 VanDerWaalsContact CE-NE1 3.33Å; K479-W1156 WeakPolarHBondContact CE-O 3.27Å; K479-W1156 HydrophobicContact CG-CB 4.49Å; K479-W1156 HydrophobicContact CG-CD2 4.35Å; K479-W1156 HydrophobicContact CG-CG 3.78Å; K479-W1156 PolarHBondContact NZ-O 3.33Å; K479-W1156 PolarHBondContact O-NE1 3.47Å; E480-W1156 VanDerWaalsContact N-CD1 3.27Å; Q483-W1156 VanDerWaalsContact CD-CD1 3.41Å; Q483-W1156 VanDerWaalsContact CD-CG 3.43Å; Q483-W1156 VanDerWaalsContact CD-CZ2 3.48Å; Q483-W1156 VanDerWaalsContact CD-NE1 3.27Å; Q483-W1156 HydrophobicContact CG-CD2 3.89Å; Q483-W1156 HydrophobicContact CG-CE3 4.43Å; Q483-W1156 HydrophobicContact CG-CG 4.35Å; Q483-W1156 HydrophobicContact CG-CH2 3.78Å; Q483-W1156 HydrophobicContact CG-CZ2 3.28Å; Q483-W1156 HydrophobicContact CG-CZ3 4.34Å; Q483-W1156 VanDerWaalsContact CG-NE1 3.35Å; Q483-W1156 VanDerWaalsContact NE2-CE2 3.3Å; Q483-W1156 VanDerWaalsContact OE1-CD2 3.3Å; L622-W1156 HydrophobicContact CB-CZ3 4.18Å; V626-W1156 HydrophobicContact CG2-CH2 3.31Å; V626-W1156 HydrophobicContact CG2-CZ2 3.64Å; V626-W1156 HydrophobicContact CG2-CZ3 4.45Å; A1152-W1156 WeakPolarHBondContact O-CB 3.37Å; A1152-W1156 VanDerWaalsContact O-CE3 3.23Å; A1152-W1156 PolarHBondContact O-N 3.05Å; L1153-W1156 CarbonylContact O-C 3.56Å; L1153-W1156 WeakPolarHBondContact O-CA 3.5Å; L1153-W1156 WeakPolarHBondContact O-CB 3.44Å; L1153-W1156 PolarHBondContact O-N 3.3Å; K1154-W1156 PolarHBondContact O-N 3.09Å; K1154-W1156 VanDerWaalsContact O-N 3.16Å; W1156-K1158 PolarHBondContact O-N 3.1Å
1157	D	34.2	Very low	36.6	Very low	93 Å²	93	87.2 Å²	87.2	50%	0.497	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-38.2	-179.4	-67.1	-22.9	0	0	0	114.6	L1153 K1154 V1159 A1160	L1153-D1157 PolarHBondContact O-N 3.21Å; K1154-D1157 PolarHBondContact O-N 3.05Å; K1154-D1157 VanDerWaalsContact O-N 3.16Å; D1157-V1159 PolarHBondContact O-N 3.45Å; D1157-A1160 PolarHBondContact O-N 3.07Å; D1157-A1160 VanDerWaalsContact O-N 3.13Å
1158	K	34.8	Very low	38.1	Very low	133 Å²	133	86.7 Å²	86.7	58%	0.578	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-9.6	-176.3	-100.7	-172.2	175	-178.6	0	115.3	K1154 W1156	K1154-K1158 WeakPolarHBondContact O-CB 3.37Å; K1154-K1158 PolarHBondContact O-N 2.76Å; W1156-K1158 PolarHBondContact O-N 3.1Å
1159	V	36.8	Very low	39.9	Very low	22 Å²	22	88 Å²	88	13%	0.133	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-27.7	175.2	-179.5	0	0	0	0	112.2	L476 Q623 D1157 E1161 S1162	L476-V1159 HydrophobicContact CB-CG1 4.32Å; L476-V1159 HydrophobicContact CD1-CG1 4.34Å; Q623-V1159 HydrophobicContact CG-CG2 4.01Å; D1157-V1159 PolarHBondContact O-N 3.45Å; V1159-E1161 PolarHBondContact O-N 2.88Å; V1159-S1162 PolarHBondContact O-OG 3.09Å
1160	A	30.7	Very low	41.8	Very low	74 Å²	74	84.4 Å²	84.4	61%	0.612	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-70.1	-22.1	179	0	0	0	0	0	112.5	D1157 S1162	D1157-A1160 PolarHBondContact O-N 3.07Å; D1157-A1160 VanDerWaalsContact O-N 3.13Å; A1160-S1162 PolarHBondContact O-N 3.2Å
1161	E	30.1	Very low	43.7	Very low	152 Å²	152	86.6 Å²	86.6	71%	0.71	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-74.9	-3.6	-177.1	-76.7	-171	153.7	0	0	114.9	V1159 E1163	V1159-E1161 PolarHBondContact O-N 2.88Å; E1161-E1163 VanDerWaalsContact C-N 3.25Å; E1161-E1163 PolarHBondContact O-N 3.2Å
1162	S	31.8	Very low	46.1	Very low	97 Å²	97	85.1 Å²	85.1	68%	0.678	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-81.2	6.2	177.1	70.7	0	0	0	0	115.3	V1159 A1160 K1164	V1159-S1162 PolarHBondContact O-OG 3.09Å; A1160-S1162 PolarHBondContact O-N 3.2Å; S1162-K1164 VanDerWaalsContact C-N 3.32Å; S1162-K1164 PolarHBondContact O-N 3.42Å
1163	E	30.2	Very low	48.6	Very low	172 Å²	172	89.5 Å²	89.5	80%	0.804	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-77.7	-9.2	176	-77	-160.4	148.9	0	0	115.1	E1161 K1165	E1161-E1163 VanDerWaalsContact C-N 3.25Å; E1161-E1163 PolarHBondContact O-N 3.2Å; E1163-K1165 PolarHBondContact O-N 2.72Å
1164	K	34.1	Very low	51.1	Low	164 Å²	164	87.7 Å²	87.7	71%	0.713	44%	0.443	S	S	*	.	S	Bend	trans	-84.6	107.2	162.2	-71.2	-178.6	-177.9	175.3	0	107	S1162 L1166	S1162-K1164 VanDerWaalsContact C-N 3.32Å; S1162-K1164 PolarHBondContact O-N 3.42Å; K1164-L1166 HydrophobicContact CB-CD2 4.34Å; K1164-L1166 HydrophobicContact CB-CG 4.13Å; K1164-L1166 WeakPolarHBondContact O-CG 3.49Å; K1164-L1166 PolarHBondContact O-N 3.4Å
1165	K	39.7	Very low	53.4	Low	214 Å²	214	84.1 Å²	84.1	93%	0.93	43%	0.434	S	S	*	.			trans	-53.9	91.3	160.7	-80.9	-177.4	176.2	-180	0	107.9	E1163 E1167	E1163-K1165 PolarHBondContact O-N 2.72Å; K1165-E1167 PolarHBondContact O-N 2.83Å
1166	L	46.9	Very low	55.6	Low	104 Å²	104	90 Å²	90	55%	0.545	47%	0.472	S	S	.	.			trans	-86.4	92.1	177.4	-68.9	161	0	0	0	105.9	K1164	K1164-L1166 HydrophobicContact CB-CD2 4.34Å; K1164-L1166 HydrophobicContact CB-CG 4.13Å; K1164-L1166 WeakPolarHBondContact O-CG 3.49Å; K1164-L1166 PolarHBondContact O-N 3.4Å
1167	E	54.1	Low	57.8	Low	77 Å²	77	98.3 Å²	98.3	36%	0.36	51%	0.509	S	S	.	.			trans	-56.3	127.2	173.3	-173	171.9	-147.2	0	0	109.3	K1165 F1169 Q1171 V1172 R1186	K1165-E1167 PolarHBondContact O-N 2.83Å; E1167-F1169 PolarHBondContact O-N 3.42Å; E1167-Q1171 HydrophobicContact CG-CB 3.84Å; E1167-V1172 HydrophobicContact CG-CG2 4.17Å; E1167-R1186 IonicContact OE2-NH1 3.1Å; E1167-R1186 PolarHBondContact OE2-NH1 3.07Å
1168	P	69.4	Low	60.3	Low	65 Å²	65	95.9 Å²	95.9	42%	0.422	49%	0.494	S	S	.	.			trans	-54.8	137.6	171	-21.4	31.1	0	0	0	109.5	T1170 Q1171	P1168-T1170 PolarHBondContact O-N 2.98Å; P1168-Q1171 PolarHBondContact O-N 3.46Å
1169	F	73.1	Confident	62.9	Low	46 Å²	46	91.9 Å²	91.9	20%	0.202	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.9	-176	63.9	-96	0	0	0	113.8	E1167 Q1171 L1187 A1190 V1191 S1194 V1195 T1204 L1208	E1167-F1169 PolarHBondContact O-N 3.42Å; F1169-Q1171 VanDerWaalsContact C-N 3.31Å; F1169-Q1171 PolarHBondContact O-N 2.92Å; F1169-L1187 WeakPolarHBondContact O-CD1 3.4Å; F1169-A1190 HydrophobicContact CB-CB 3.64Å; F1169-V1191 HydrophobicContact CB-CB 4.46Å; F1169-V1191 HydrophobicContact CB-CG2 3.69Å; F1169-V1191 HydrophobicContact CD2-CG2 3.86Å; F1169-V1191 HydrophobicContact CG-CG2 3.89Å; F1169-S1194 VanDerWaalsContact CE1-CB 3.44Å; F1169-V1195 HydrophobicContact CE1-CG2 4.34Å; F1169-V1195 HydrophobicContact CZ-CG2 4.25Å; F1169-T1204 HydrophobicContact CD2-CG2 4.1Å; F1169-T1204 HydrophobicContact CE2-CG2 3.8Å; F1169-L1208 HydrophobicContact CD2-CD1 3.53Å; F1169-L1208 HydrophobicContact CE2-CD1 4.05Å
1170	T	77.2	Confident	65.5	Low	84 Å²	84	90.9 Å²	90.9	52%	0.515	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-19.5	174.3	52.2	0	0	0	0	114.2	P1168 N1212	P1168-T1170 PolarHBondContact O-N 2.98Å; T1170-N1212 PolarHBondContact O-ND2 3.24Å
1171	Q	78.7	Confident	68.4	Low	114 Å²	114	89.9 Å²	89.9	53%	0.533	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-8.4	179.4	-69.5	-175.7	-10	0	0	113.5	E1167 P1168 F1169 I1173	E1167-Q1171 HydrophobicContact CG-CB 3.84Å; P1168-Q1171 PolarHBondContact O-N 3.46Å; F1169-Q1171 VanDerWaalsContact C-N 3.31Å; F1169-Q1171 PolarHBondContact O-N 2.92Å; Q1171-I1173 WeakPolarHBondContact O-CG1 3.48Å; Q1171-I1173 PolarHBondContact O-N 2.9Å
1172	V	86.5	Confident	71.1	Confident	3 Å²	3	86.5 Å²	86.5	2%	0.018	45%	0.449	C	S	.	.			trans	-65.7	103.6	177.9	179.8	0	0	0	0	108.8	E1167 F1183 R1186 L1187 A1190 N1212	E1167-V1172 HydrophobicContact CG-CG2 4.17Å; V1172-F1183 HydrophobicContact CG1-CD2 4.19Å; V1172-F1183 HydrophobicContact CG1-CE2 4.06Å; V1172-F1183 WeakPolarHBondContact O-CE2 3.3Å; V1172-R1186 HydrophobicContact CG1-CB 4.14Å; V1172-L1187 HydrophobicContact CB-CD1 4.02Å; V1172-L1187 HydrophobicContact CG1-CB 3.94Å; V1172-L1187 HydrophobicContact CG1-CD1 4.33Å; V1172-A1190 HydrophobicContact CG2-CB 3.94Å; V1172-N1212 WeakPolarHBondContact O-CB 3.49Å; V1172-N1212 PolarHBondContact O-ND2 3.21Å
1173	I	89.4	Confident	74.1	Confident	106 Å²	106	81.9 Å²	81.9	54%	0.544	42%	0.417	S	S	.	.			trans	-113.2	140.5	178.3	-63	164.3	0	0	0	109.3	Q1171 G1175 R1186 N1212	Q1171-I1173 WeakPolarHBondContact O-CG1 3.48Å; Q1171-I1173 PolarHBondContact O-N 2.9Å; I1173-G1175 PolarHBondContact O-N 3.12Å; I1173-R1186 PolarHBondContact O-NH2 3.47Å; I1173-N1212 HydrophobicContact CG1-CB 4.24Å
1174	Q	91.2	Very high	77.1	Confident	8 Å²	8	74.4 Å²	74.4	4%	0.037	38%	0.382	C	S	.	.			trans	-67.8	128.8	176.9	-173.4	-177.3	18.4	0	0	110.5	E1178 F1183 N1212 N1214	Q1174-E1178 WeakPolarHBondContact CA-OE2 3.37Å; Q1174-E1178 HydrophobicContact CG-CB 4.09Å; Q1174-E1178 HydrophobicContact CG-CG 4.49Å; Q1174-E1178 PolarHBondContact NE2-O 3.36Å; Q1174-F1183 HydrophobicContact CB-CB 3.97Å; Q1174-F1183 HydrophobicContact CB-CD1 4.01Å; Q1174-F1183 HydrophobicContact CB-CD2 3.63Å; Q1174-F1183 HydrophobicContact CB-CE1 4.44Å; Q1174-F1183 HydrophobicContact CB-CE2 4.09Å; Q1174-F1183 HydrophobicContact CB-CG 3.58Å; Q1174-F1183 HydrophobicContact CB-CZ 4.48Å; Q1174-F1183 HydrophobicContact CG-CB 3.75Å; Q1174-F1183 HydrophobicContact CG-CD1 4.33Å; Q1174-F1183 HydrophobicContact CG-CD2 4.38Å; Q1174-F1183 HydrophobicContact CG-CG 3.9Å; Q1174-N1212 PolarHBondContact N-O 2.98Å; Q1174-N1214 HydrophobicContact CB-CB 4.37Å; Q1174-N1214 VanDerWaalsContact CD-ND2 3.26Å; Q1174-N1214 HydrophobicContact CG-CB 4.3Å; Q1174-N1214 PolarHBondContact NE2-ND2 3.07Å; Q1174-N1214 PolarHBondContact OE1-ND2 3.43Å; Q1174-N1214 PolarHBondContact OE1-OD1 3.4Å
1175	G	83.8	Confident	79.7	Confident	21 Å²	21	72.8 Å²	72.8	22%	0.216	38%	0.377	C	S	.	.			trans	-63.5	157.4	173.7	0	0	0	0	0	113.1	I1173 K1177 E1178 N1214	I1173-G1175 PolarHBondContact O-N 3.12Å; G1175-K1177 PolarHBondContact O-N 2.89Å; G1175-K1177 VanDerWaalsContact O-N 3.14Å; G1175-E1178 PolarHBondContact N-OE2 3.37Å; G1175-E1178 PolarHBondContact O-N 3.46Å; G1175-N1214 PolarHBondContact O-ND2 3.26Å
1176	P	81	Confident	82.2	Confident	123 Å²	123	66.9 Å²	66.9	80%	0.799	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.1	-178.6	23.4	-32.6	0	0	0	114.1
1177	K	81.1	Confident	84.4	Confident	193 Å²	193	61.9 Å²	61.9	84%	0.839	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	5.5	175.1	-61.1	-174.4	179.2	-176.6	0	113.3	G1175	G1175-K1177 PolarHBondContact O-N 2.89Å; G1175-K1177 VanDerWaalsContact O-N 3.14Å
1178	E	85.5	Confident	86.1	Confident	41 Å²	41	60.1 Å²	60.1	19%	0.192	32%	0.318	C	S	.	.			trans	-76.7	133.7	-178.9	-175.2	178.8	-160.6	0	0	109.2	Q1174 G1175 D1182 F1183 R1186	Q1174-E1178 WeakPolarHBondContact CA-OE2 3.37Å; Q1174-E1178 HydrophobicContact CG-CB 4.09Å; Q1174-E1178 HydrophobicContact CG-CG 4.49Å; Q1174-E1178 PolarHBondContact NE2-O 3.36Å; G1175-E1178 PolarHBondContact N-OE2 3.37Å; G1175-E1178 PolarHBondContact O-N 3.46Å; E1178-D1182 HydrophobicContact CG-CB 4.12Å; E1178-F1183 HydrophobicContact CG-CB 4.18Å; E1178-F1183 WeakPolarHBondContact OE1-CA 3.46Å; E1178-F1183 PolarHBondContact OE1-N 2.84Å; E1178-R1186 IonicContact OE1-CZ 2.61Å; E1178-R1186 IonicContact OE1-NE 2.67Å; E1178-R1186 PolarHBondContact OE1-NE 3.22Å; E1178-R1186 IonicContact OE1-NH2 3.31Å; E1178-R1186 PolarHBondContact OE1-NH2 3.05Å; E1178-R1186 IonicContact OE2-CZ 3.36Å; E1178-R1186 IonicContact OE2-NE 2.78Å; E1178-R1186 IonicContact OE2-NH2 2.82Å; E1178-R1186 PolarHBondContact OE2-NH2 3.49Å
1179	T	88.9	Confident	86.9	Confident	50 Å²	50	59.4 Å²	59.4	31%	0.307	31%	0.314	S	S	.	.			trans	-68.5	148.5	176.4	76.5	0	0	0	0	110.2	P1181 D1182 F1183	T1179-P1181 VanDerWaalsContact C-CD 3.5Å; T1179-D1182 PolarHBondContact O-N 2.89Å; T1179-D1182 PolarHBondContact OG1-N 2.93Å; T1179-D1182 PolarHBondContact OG1-OD2 3.11Å; T1179-F1183 PolarHBondContact O-N 3.42Å; T1179-F1183 VanDerWaalsContact O-N 3.15Å
1180	F	91.2	Very high	87.3	Confident	1 Å²	1	57.2 Å²	57.2	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-58.1	-40.3	179.2	-176.3	-102.6	0	0	0	113.4	D1182 F1183 L1184 A1209 V1213 I1221 W1234 I1235 T1238	F1180-D1182 PolarHBondContact O-N 3.36Å; F1180-F1183 AromaticContact CD2-CD1 3.96Å; F1180-F1183 HydrophobicContact CD2-CD1 3.96Å; F1180-F1183 HydrophobicContact CD2-CE1 4.39Å; F1180-F1183 HydrophobicContact CE2-CD1 4.01Å; F1180-F1183 HydrophobicContact CE2-CE1 4.03Å; F1180-F1183 PolarHBondContact O-N 3.02Å; F1180-L1184 HydrophobicContact CE1-CD2 4.33Å; F1180-L1184 WeakPolarHBondContact O-CB 3.29Å; F1180-L1184 PolarHBondContact O-N 2.99Å; F1180-A1209 HydrophobicContact CZ-CB 4.41Å; F1180-V1213 HydrophobicContact CD2-CG2 3.52Å; F1180-V1213 HydrophobicContact CE2-CB 4.49Å; F1180-V1213 HydrophobicContact CE2-CG2 3.59Å; F1180-I1221 HydrophobicContact CD2-CD1 3.94Å; F1180-I1221 HydrophobicContact CE1-CD1 4.36Å; F1180-I1221 HydrophobicContact CE2-CD1 3.46Å; F1180-I1221 VanDerWaalsContact CE2-CD1 3.46Å; F1180-I1221 HydrophobicContact CZ-CD1 3.7Å; F1180-W1234 HydrophobicContact CE1-CB 3.99Å; F1180-W1234 HydrophobicContact CZ-CB 4.32Å; F1180-W1234 HydrophobicContact CZ-CE3 4.15Å; F1180-I1235 HydrophobicContact CD1-CG1 4.13Å; F1180-I1235 HydrophobicContact CE1-CG1 4.06Å; F1180-T1238 HydrophobicContact CB-CG2 4.17Å; F1180-T1238 VanDerWaalsContact CB-OG1 3.25Å; F1180-T1238 WeakPolarHBondContact CB-OG1 3.48Å; F1180-T1238 HydrophobicContact CD1-CG2 4.37Å; F1180-T1238 VanDerWaalsContact CD1-OG1 3.27Å; F1180-T1238 WeakPolarHBondContact CD1-OG1 3.3Å; F1180-T1238 HydrophobicContact CG-CG2 4.1Å; F1180-T1238 WeakPolarHBondContact CG-OG1 3.41Å
1181	P	91.7	Very high	87.7	Confident	52 Å²	52	53.2 Å²	53.2	34%	0.338	28%	0.28	S	S	.	.	H	α-helix	trans	-59.3	-43.5	174.6	-25.9	35.7	0	0	0	114.2	T1179 L1184 Q1185 I1235	T1179-P1181 VanDerWaalsContact C-CD 3.5Å; P1181-L1184 PolarHBondContact O-N 2.92Å; P1181-Q1185 WeakPolarHBondContact O-CB 3.33Å; P1181-Q1185 PolarHBondContact O-N 2.83Å; P1181-I1235 HydrophobicContact CG-CG2 4.22Å
1182	D	88.2	Confident	87.9	Confident	81 Å²	81	53 Å²	53	43%	0.433	28%	0.279	S	S	.	.	H	α-helix	trans	-65.5	-43.2	-179.2	-64.2	-32.9	0	0	0	111.2	E1178 T1179 F1180 Q1185 R1186	E1178-D1182 HydrophobicContact CG-CB 4.12Å; T1179-D1182 PolarHBondContact O-N 2.89Å; T1179-D1182 PolarHBondContact OG1-N 2.93Å; T1179-D1182 PolarHBondContact OG1-OD2 3.11Å; F1180-D1182 PolarHBondContact O-N 3.36Å; D1182-Q1185 PolarHBondContact O-N 2.92Å; D1182-R1186 PolarHBondContact O-N 3.42Å
1183	F	93.9	Very high	87.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-47.9	173.4	157	-108.4	0	0	0	111.9	V1172 Q1174 E1178 T1179 F1180 Q1185 R1186 L1187 A1209 N1212 V1213	V1172-F1183 HydrophobicContact CG1-CD2 4.19Å; V1172-F1183 HydrophobicContact CG1-CE2 4.06Å; V1172-F1183 WeakPolarHBondContact O-CE2 3.3Å; Q1174-F1183 HydrophobicContact CB-CB 3.97Å; Q1174-F1183 HydrophobicContact CB-CD1 4.01Å; Q1174-F1183 HydrophobicContact CB-CD2 3.63Å; Q1174-F1183 HydrophobicContact CB-CE1 4.44Å; Q1174-F1183 HydrophobicContact CB-CE2 4.09Å; Q1174-F1183 HydrophobicContact CB-CG 3.58Å; Q1174-F1183 HydrophobicContact CB-CZ 4.48Å; Q1174-F1183 HydrophobicContact CG-CB 3.75Å; Q1174-F1183 HydrophobicContact CG-CD1 4.33Å; Q1174-F1183 HydrophobicContact CG-CD2 4.38Å; Q1174-F1183 HydrophobicContact CG-CG 3.9Å; E1178-F1183 HydrophobicContact CG-CB 4.18Å; E1178-F1183 WeakPolarHBondContact OE1-CA 3.46Å; E1178-F1183 PolarHBondContact OE1-N 2.84Å; T1179-F1183 PolarHBondContact O-N 3.42Å; T1179-F1183 VanDerWaalsContact O-N 3.15Å; F1180-F1183 AromaticContact CD2-CD1 3.96Å; F1180-F1183 HydrophobicContact CD2-CD1 3.96Å; F1180-F1183 HydrophobicContact CD2-CE1 4.39Å; F1180-F1183 HydrophobicContact CE2-CD1 4.01Å; F1180-F1183 HydrophobicContact CE2-CE1 4.03Å; F1180-F1183 PolarHBondContact O-N 3.02Å; F1183-Q1185 VanDerWaalsContact C-N 3.26Å; F1183-Q1185 PolarHBondContact O-N 3.45Å; F1183-R1186 PolarHBondContact O-N 2.95Å; F1183-L1187 HydrophobicContact CZ-CD2 4.09Å; F1183-L1187 WeakPolarHBondContact O-CB 3.44Å; F1183-L1187 PolarHBondContact O-N 2.84Å; F1183-A1209 HydrophobicContact CE1-CB 4.47Å; F1183-N1212 HydrophobicContact CE2-CB 4.16Å; F1183-N1212 HydrophobicContact CZ-CB 3.92Å; F1183-V1213 HydrophobicContact CE1-CB 4.44Å; F1183-V1213 HydrophobicContact CE1-CG2 4.41Å
1184	L	92.6	Very high	86.4	Confident	16 Å²	16	58.1 Å²	58.1	8%	0.084	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-36.3	179.7	-173.3	69.6	0	0	0	111.2	F1180 P1181 L1187 T1188 V1205 A1209 V1231 I1235	F1180-L1184 HydrophobicContact CE1-CD2 4.33Å; F1180-L1184 WeakPolarHBondContact O-CB 3.29Å; F1180-L1184 PolarHBondContact O-N 2.99Å; P1181-L1184 PolarHBondContact O-N 2.92Å; L1184-L1187 PolarHBondContact O-N 3.19Å; L1184-T1188 VanDerWaalsContact O-CB 3.28Å; L1184-T1188 WeakPolarHBondContact O-CB 3.32Å; L1184-T1188 PolarHBondContact O-N 3.36Å; L1184-T1188 PolarHBondContact O-OG1 3.35Å; L1184-V1205 HydrophobicContact CD1-CG1 3.8Å; L1184-A1209 HydrophobicContact CD1-CB 3.6Å; L1184-V1231 HydrophobicContact CD1-CG1 4.2Å; L1184-V1231 HydrophobicContact CD2-CG1 3.5Å; L1184-I1235 HydrophobicContact CD2-CD1 3.78Å; L1184-I1235 HydrophobicContact CD2-CG1 4.05Å
1185	Q	89.9	Confident	85.6	Confident	130 Å²	130	59 Å²	59	61%	0.607	31%	0.31	S	S	*	.	H	α-helix	trans	-65.6	-44.3	175.5	-171.2	179.8	10.1	0	0	111.9	P1181 D1182 F1183 S1189	P1181-Q1185 WeakPolarHBondContact O-CB 3.33Å; P1181-Q1185 PolarHBondContact O-N 2.83Å; D1182-Q1185 PolarHBondContact O-N 2.92Å; F1183-Q1185 VanDerWaalsContact C-N 3.26Å; F1183-Q1185 PolarHBondContact O-N 3.45Å; Q1185-S1189 WeakPolarHBondContact O-CB 3.39Å; Q1185-S1189 PolarHBondContact O-N 2.9Å; Q1185-S1189 PolarHBondContact O-OG 2.89Å
1186	R	91.4	Very high	85	Confident	89 Å²	89	63.5 Å²	63.5	34%	0.336	34%	0.337	S	S	.	.	H	α-helix	trans	-61	-46	174.5	-73.9	-163.5	-52.6	120	0.6	111.6	E1167 V1172 I1173 E1178 D1182 F1183 S1189 A1190	E1167-R1186 IonicContact OE2-NH1 3.1Å; E1167-R1186 PolarHBondContact OE2-NH1 3.07Å; V1172-R1186 HydrophobicContact CG1-CB 4.14Å; I1173-R1186 PolarHBondContact O-NH2 3.47Å; E1178-R1186 IonicContact OE1-CZ 2.61Å; E1178-R1186 IonicContact OE1-NE 2.67Å; E1178-R1186 PolarHBondContact OE1-NE 3.22Å; E1178-R1186 IonicContact OE1-NH2 3.31Å; E1178-R1186 PolarHBondContact OE1-NH2 3.05Å; E1178-R1186 IonicContact OE2-CZ 3.36Å; E1178-R1186 IonicContact OE2-NE 2.78Å; E1178-R1186 IonicContact OE2-NH2 2.82Å; E1178-R1186 PolarHBondContact OE2-NH2 3.49Å; D1182-R1186 PolarHBondContact O-N 3.42Å; F1183-R1186 PolarHBondContact O-N 2.95Å; R1186-S1189 PolarHBondContact O-N 3.08Å; R1186-A1190 WeakPolarHBondContact O-CB 3.34Å; R1186-A1190 PolarHBondContact O-N 2.93Å
1187	L	92.9	Very high	84.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-48.9	179.7	177.8	64.2	0	0	0	111.2	F1169 V1172 F1183 L1184 S1189 A1190 V1191 L1208 A1209	F1169-L1187 WeakPolarHBondContact O-CD1 3.4Å; V1172-L1187 HydrophobicContact CB-CD1 4.02Å; V1172-L1187 HydrophobicContact CG1-CB 3.94Å; V1172-L1187 HydrophobicContact CG1-CD1 4.33Å; F1183-L1187 HydrophobicContact CZ-CD2 4.09Å; F1183-L1187 WeakPolarHBondContact O-CB 3.44Å; F1183-L1187 PolarHBondContact O-N 2.84Å; L1184-L1187 PolarHBondContact O-N 3.19Å; L1187-S1189 VanDerWaalsContact C-N 3.34Å; L1187-S1189 PolarHBondContact O-N 3.29Å; L1187-A1190 WeakPolarHBondContact O-CB 3.32Å; L1187-A1190 PolarHBondContact O-N 2.82Å; L1187-A1190 VanDerWaalsContact O-N 3.07Å; L1187-V1191 HydrophobicContact CD1-CG2 4.12Å; L1187-V1191 HydrophobicContact CG-CG2 4.42Å; L1187-V1191 WeakPolarHBondContact O-CG2 3.21Å; L1187-V1191 PolarHBondContact O-N 3.15Å; L1187-L1208 HydrophobicContact CD1-CB 3.91Å; L1187-L1208 HydrophobicContact CD1-CD1 4.06Å; L1187-L1208 HydrophobicContact CD2-CB 3.81Å; L1187-L1208 HydrophobicContact CG-CB 4.44Å; L1187-A1209 HydrophobicContact CD2-CB 3.9Å
1188	T	90.9	Very high	84.6	Confident	40 Å²	40	57.3 Å²	57.3	25%	0.245	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-47.2	178.6	-56.8	0	0	0	0	110.8	L1184 A1190 V1191 E1192 V1205	L1184-T1188 VanDerWaalsContact O-CB 3.28Å; L1184-T1188 WeakPolarHBondContact O-CB 3.32Å; L1184-T1188 PolarHBondContact O-N 3.36Å; L1184-T1188 PolarHBondContact O-OG1 3.35Å; T1188-A1190 PolarHBondContact O-N 3.48Å; T1188-V1191 PolarHBondContact O-N 2.97Å; T1188-E1192 HydrophobicContact CG2-CG 4.32Å; T1188-E1192 WeakPolarHBondContact O-CB 3.43Å; T1188-E1192 WeakPolarHBondContact O-CG 3.33Å; T1188-E1192 PolarHBondContact O-N 3.13Å; T1188-V1205 HydrophobicContact CG2-CG2 4.5Å
1189	S	85	Confident	84.2	Confident	49 Å²	49	58.9 Å²	58.9	34%	0.343	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-32.9	176.8	-58.3	0	0	0	0	112.6	Q1185 R1186 L1187 R1193	Q1185-S1189 WeakPolarHBondContact O-CB 3.39Å; Q1185-S1189 PolarHBondContact O-N 2.9Å; Q1185-S1189 PolarHBondContact O-OG 2.89Å; R1186-S1189 PolarHBondContact O-N 3.08Å; L1187-S1189 VanDerWaalsContact C-N 3.34Å; L1187-S1189 PolarHBondContact O-N 3.29Å; S1189-R1193 WeakPolarHBondContact O-CG 3.44Å; S1189-R1193 PolarHBondContact O-NE 3.45Å
1190	A	83.3	Confident	83.6	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.008	33%	0.33	C	S	.	.	H	α-helix	trans	-76.1	-42.1	177.5	0	0	0	0	0	112.1	F1169 V1172 R1186 L1187 T1188 R1193	F1169-A1190 HydrophobicContact CB-CB 3.64Å; V1172-A1190 HydrophobicContact CG2-CB 3.94Å; R1186-A1190 WeakPolarHBondContact O-CB 3.34Å; R1186-A1190 PolarHBondContact O-N 2.93Å; L1187-A1190 WeakPolarHBondContact O-CB 3.32Å; L1187-A1190 PolarHBondContact O-N 2.82Å; L1187-A1190 VanDerWaalsContact O-N 3.07Å; T1188-A1190 PolarHBondContact O-N 3.48Å; A1190-R1193 PolarHBondContact O-N 3.21Å
1191	V	85.2	Confident	83.4	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-66.5	-42.2	177.5	175.5	0	0	0	0	110.9	F1169 L1187 T1188 R1193 S1194 V1195 R1201 T1204 V1205	F1169-V1191 HydrophobicContact CB-CB 4.46Å; F1169-V1191 HydrophobicContact CB-CG2 3.69Å; F1169-V1191 HydrophobicContact CD2-CG2 3.86Å; F1169-V1191 HydrophobicContact CG-CG2 3.89Å; L1187-V1191 HydrophobicContact CD1-CG2 4.12Å; L1187-V1191 HydrophobicContact CG-CG2 4.42Å; L1187-V1191 WeakPolarHBondContact O-CG2 3.21Å; L1187-V1191 PolarHBondContact O-N 3.15Å; T1188-V1191 PolarHBondContact O-N 2.97Å; V1191-R1193 PolarHBondContact O-N 3.39Å; V1191-S1194 PolarHBondContact O-N 3.19Å; V1191-V1195 HydrophobicContact CG1-CB 4.15Å; V1191-V1195 HydrophobicContact CG1-CG2 3.97Å; V1191-V1195 PolarHBondContact O-N 3.13Å; V1191-R1201 HydrophobicContact CG1-CB 4.34Å; V1191-R1201 HydrophobicContact CG1-CG 4.16Å; V1191-T1204 HydrophobicContact CG1-CG2 3.94Å; V1191-T1204 HydrophobicContact CG2-CG2 3.98Å; V1191-V1205 HydrophobicContact CB-CG2 3.81Å; V1191-V1205 HydrophobicContact CG1-CG2 3.95Å; V1191-V1205 HydrophobicContact CG2-CG2 3.87Å
1192	E	82.7	Confident	83.1	Confident	110 Å²	110	65.4 Å²	65.4	51%	0.514	35%	0.354	S	S	.	.	H	α-helix	trans	-60.6	-28.3	178.4	-76.5	-176.1	155.6	0	0	113.8	T1188 S1194	T1188-E1192 HydrophobicContact CG2-CG 4.32Å; T1188-E1192 WeakPolarHBondContact O-CB 3.43Å; T1188-E1192 WeakPolarHBondContact O-CG 3.33Å; T1188-E1192 PolarHBondContact O-N 3.13Å; E1192-S1194 VanDerWaalsContact C-N 3.34Å
1193	R	73.9	Confident	82.9	Confident	136 Å²	136	64.2 Å²	64.2	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-74.7	-21.9	176.4	-79	179.7	-90.2	134.1	-12.4	113.5	S1189 A1190 V1191	S1189-R1193 WeakPolarHBondContact O-CG 3.44Å; S1189-R1193 PolarHBondContact O-NE 3.45Å; A1190-R1193 PolarHBondContact O-N 3.21Å; V1191-R1193 PolarHBondContact O-N 3.39Å
1194	S	70.9	Confident	82.5	Confident	80 Å²	80	65.9 Å²	65.9	56%	0.559	37%	0.366	S	S	*	.	H	α-helix	trans	-118.6	-25.3	-170.2	-57.4	0	0	0	0	114.3	F1169 V1191 E1192	F1169-S1194 VanDerWaalsContact CE1-CB 3.44Å; V1191-S1194 PolarHBondContact O-N 3.19Å; E1192-S1194 VanDerWaalsContact C-N 3.34Å
1195	V	73.6	Confident	82.4	Confident	27 Å²	27	66 Å²	66	16%	0.164	37%	0.367	C	S	.	.			trans	-111.7	113.4	-178	-176.2	0	0	0	0	108.5	F1169 V1191 A1200 R1201	F1169-V1195 HydrophobicContact CE1-CG2 4.34Å; F1169-V1195 HydrophobicContact CZ-CG2 4.25Å; V1191-V1195 HydrophobicContact CG1-CB 4.15Å; V1191-V1195 HydrophobicContact CG1-CG2 3.97Å; V1191-V1195 PolarHBondContact O-N 3.13Å; V1195-A1200 HydrophobicContact CG1-CB 3.71Å; V1195-R1201 HydrophobicContact CB-CG 3.75Å; V1195-R1201 HydrophobicContact CG1-CG 3.83Å; V1195-R1201 WeakPolarHBondContact O-CD 3.41Å; V1195-R1201 WeakPolarHBondContact O-CG 3.43Å; V1195-R1201 PolarHBondContact O-NE 2.91Å
1196	S	72	Confident	82.4	Confident	114 Å²	114	63.1 Å²	63.1	80%	0.797	35%	0.354	S	S	*	.			trans	-77.4	-39.3	-177.8	47.9	0	0	0	0	112.9	T1198 R1201	S1196-T1198 PolarHBondContact O-N 3.42Å; S1196-R1201 PolarHBondContact O-NE 3.33Å; S1196-R1201 PolarHBondContact O-NH2 2.84Å
1197	D	74.2	Confident	82.1	Confident	90 Å²	90	61 Å²	61	48%	0.481	35%	0.352	S	S	.	.			trans	-68.9	125.6	-178.9	-178.8	-91	0	0	0	111.9	A1199 A1200 R1201	D1197-A1199 PolarHBondContact O-N 2.75Å; D1197-A1199 WeakPolarHBondContact OD1-CB 3.48Å; D1197-A1199 PolarHBondContact OD1-N 3.02Å; D1197-A1199 VanDerWaalsContact OD1-N 3.07Å; D1197-A1200 HydrophobicContact CB-CB 3.88Å; D1197-A1200 PolarHBondContact O-N 3.1Å; D1197-A1200 WeakPolarHBondContact OD1-CB 3.39Å; D1197-A1200 PolarHBondContact OD1-N 3.11Å; D1197-R1201 WeakPolarHBondContact O-CB 3.4Å; D1197-R1201 WeakPolarHBondContact O-CG 3.41Å; D1197-R1201 PolarHBondContact O-N 3.39Å
1198	T	78.3	Confident	82	Confident	97 Å²	97	62 Å²	62	60%	0.595	36%	0.357	S	S	*	.	H	α-helix	trans	-69.3	-33.7	-172.7	-39.1	0	0	0	0	112.7	S1196 R1201 K1202	S1196-T1198 PolarHBondContact O-N 3.42Å; T1198-R1201 PolarHBondContact OG1-NH2 3.39Å; T1198-K1202 PolarHBondContact O-N 3.37Å
1199	A	77.6	Confident	82	Confident	73 Å²	73	60 Å²	60	60%	0.603	35%	0.346	S	S	*	.	H	α-helix	trans	-73.2	-41.7	177.2	0	0	0	0	0	111	D1197 R1201 K1202 A1203	D1197-A1199 PolarHBondContact O-N 2.75Å; D1197-A1199 WeakPolarHBondContact OD1-CB 3.48Å; D1197-A1199 PolarHBondContact OD1-N 3.02Å; D1197-A1199 VanDerWaalsContact OD1-N 3.07Å; A1199-R1201 VanDerWaalsContact C-N 3.35Å; A1199-K1202 PolarHBondContact O-N 3.39Å; A1199-A1203 PolarHBondContact O-N 3.08Å
1200	A	77	Confident	82.2	Confident	37 Å²	37	58.9 Å²	58.9	31%	0.306	33%	0.334	S	S	.	.	H	α-helix	trans	-64.1	-38.2	173.9	0	0	0	0	0	111.6	V1195 D1197 T1204	V1195-A1200 HydrophobicContact CG1-CB 3.71Å; D1197-A1200 HydrophobicContact CB-CB 3.88Å; D1197-A1200 PolarHBondContact O-N 3.1Å; D1197-A1200 WeakPolarHBondContact OD1-CB 3.39Å; D1197-A1200 PolarHBondContact OD1-N 3.11Å; A1200-T1204 WeakPolarHBondContact O-CB 3.28Å; A1200-T1204 PolarHBondContact O-N 3.41Å; A1200-T1204 PolarHBondContact O-OG1 2.86Å
1201	R	87.4	Confident	82.4	Confident	65 Å²	65	63.2 Å²	63.2	25%	0.245	36%	0.355	C	S	.	.	H	α-helix	trans	-56.6	-52.7	172.9	-82.4	-174.2	-84.5	172.4	-6.8	111.1	V1191 V1195 S1196 D1197 T1198 A1199 A1203 T1204 V1205	V1191-R1201 HydrophobicContact CG1-CB 4.34Å; V1191-R1201 HydrophobicContact CG1-CG 4.16Å; V1195-R1201 HydrophobicContact CB-CG 3.75Å; V1195-R1201 HydrophobicContact CG1-CG 3.83Å; V1195-R1201 WeakPolarHBondContact O-CD 3.41Å; V1195-R1201 WeakPolarHBondContact O-CG 3.43Å; V1195-R1201 PolarHBondContact O-NE 2.91Å; S1196-R1201 PolarHBondContact O-NE 3.33Å; S1196-R1201 PolarHBondContact O-NH2 2.84Å; D1197-R1201 WeakPolarHBondContact O-CB 3.4Å; D1197-R1201 WeakPolarHBondContact O-CG 3.41Å; D1197-R1201 PolarHBondContact O-N 3.39Å; T1198-R1201 PolarHBondContact OG1-NH2 3.39Å; A1199-R1201 VanDerWaalsContact C-N 3.35Å; R1201-A1203 PolarHBondContact O-N 3.03Å; R1201-T1204 PolarHBondContact O-N 3.23Å; R1201-V1205 WeakPolarHBondContact O-CG2 3.41Å; R1201-V1205 PolarHBondContact O-N 3.43Å
1202	K	83.8	Confident	82.7	Confident	138 Å²	138	64.2 Å²	64.2	60%	0.6	36%	0.36	S	S	*	.	H	α-helix	trans	-60.2	-47.8	-179.2	-169.9	177.6	178.2	-178.5	0	112	T1198 A1199 T1204 V1205 E1206	T1198-K1202 PolarHBondContact O-N 3.37Å; A1199-K1202 PolarHBondContact O-N 3.39Å; K1202-T1204 VanDerWaalsContact C-N 3.32Å; K1202-T1204 PolarHBondContact O-N 3.48Å; K1202-V1205 PolarHBondContact O-N 3.21Å; K1202-E1206 VanDerWaalsContact CE-OE1 3.29Å; K1202-E1206 WeakPolarHBondContact CE-OE1 3.24Å; K1202-E1206 WeakPolarHBondContact O-CB 3.34Å; K1202-E1206 PolarHBondContact O-N 3.12Å
1203	A	83.5	Confident	83.2	Confident	56 Å²	56	59.1 Å²	59.1	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-37.6	178.2	0	0	0	0	0	112.7	A1199 R1201 S1207	A1199-A1203 PolarHBondContact O-N 3.08Å; R1201-A1203 PolarHBondContact O-N 3.03Å; A1203-S1207 PolarHBondContact O-N 2.9Å
1204	T	86.1	Confident	84	Confident	36 Å²	36	53.7 Å²	53.7	22%	0.221	32%	0.318	C	S	.	.	H	α-helix	trans	-69.8	-44.4	179.9	-58.2	0	0	0	0	111.2	F1169 V1191 A1200 R1201 K1202 S1207 L1208	F1169-T1204 HydrophobicContact CD2-CG2 4.1Å; F1169-T1204 HydrophobicContact CE2-CG2 3.8Å; V1191-T1204 HydrophobicContact CG1-CG2 3.94Å; V1191-T1204 HydrophobicContact CG2-CG2 3.98Å; A1200-T1204 WeakPolarHBondContact O-CB 3.28Å; A1200-T1204 PolarHBondContact O-N 3.41Å; A1200-T1204 PolarHBondContact O-OG1 2.86Å; R1201-T1204 PolarHBondContact O-N 3.23Å; K1202-T1204 VanDerWaalsContact C-N 3.32Å; K1202-T1204 PolarHBondContact O-N 3.48Å; T1204-S1207 PolarHBondContact O-N 3.42Å; T1204-L1208 HydrophobicContact CG2-CD1 3.85Å; T1204-L1208 WeakPolarHBondContact O-CB 3.49Å; T1204-L1208 WeakPolarHBondContact O-CG 3.09Å; T1204-L1208 PolarHBondContact O-N 3Å
1205	V	91.9	Very high	84.7	Confident	17 Å²	17	55.1 Å²	55.1	10%	0.103	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-46.9	173.9	172.9	0	0	0	0	110.1	L1184 T1188 V1191 R1201 K1202 S1207 L1208 A1209	L1184-V1205 HydrophobicContact CD1-CG1 3.8Å; T1188-V1205 HydrophobicContact CG2-CG2 4.5Å; V1191-V1205 HydrophobicContact CB-CG2 3.81Å; V1191-V1205 HydrophobicContact CG1-CG2 3.95Å; V1191-V1205 HydrophobicContact CG2-CG2 3.87Å; R1201-V1205 WeakPolarHBondContact O-CG2 3.41Å; R1201-V1205 PolarHBondContact O-N 3.43Å; K1202-V1205 PolarHBondContact O-N 3.21Å; V1205-S1207 PolarHBondContact O-N 2.97Å; V1205-L1208 PolarHBondContact O-N 3.41Å; V1205-A1209 WeakPolarHBondContact O-CB 3.31Å; V1205-A1209 PolarHBondContact O-N 2.74Å
1206	E	88.5	Confident	85.3	Confident	70 Å²	70	59.8 Å²	59.8	33%	0.327	34%	0.343	S	S	.	.	H	α-helix	trans	-59.5	-40.8	178.2	-84.6	173.9	-170.3	0	0	113.2	K1202 V1231 W1234	K1202-E1206 VanDerWaalsContact CE-OE1 3.29Å; K1202-E1206 WeakPolarHBondContact CE-OE1 3.24Å; K1202-E1206 WeakPolarHBondContact O-CB 3.34Å; K1202-E1206 PolarHBondContact O-N 3.12Å; E1206-V1231 HydrophobicContact CG-CG2 3.39Å; E1206-W1234 WeakPolarHBondContact O-CH2 3.47Å
1207	S	86	Confident	86.2	Confident	44 Å²	44	54.4 Å²	54.4	31%	0.308	31%	0.305	S	S	.	.	H	α-helix	trans	-70.3	-50.6	178.8	-155.4	0	0	0	0	112	A1203 T1204 V1205 F1210 E1211	A1203-S1207 PolarHBondContact O-N 2.9Å; T1204-S1207 PolarHBondContact O-N 3.42Å; V1205-S1207 PolarHBondContact O-N 2.97Å; S1207-F1210 PolarHBondContact O-N 2.8Å; S1207-E1211 PolarHBondContact O-N 3.12Å; S1207-E1211 VanDerWaalsContact O-N 3.14Å; S1207-E1211 PolarHBondContact OG-OE1 3.19Å
1208	L	89.6	Confident	86.9	Confident	21 Å²	21	54 Å²	54	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-71.4	-32.2	-176.3	-70.1	174.6	0	0	0	112.5	F1169 L1187 T1204 V1205 F1210 E1211 N1212	F1169-L1208 HydrophobicContact CD2-CD1 3.53Å; F1169-L1208 HydrophobicContact CE2-CD1 4.05Å; L1187-L1208 HydrophobicContact CD1-CB 3.91Å; L1187-L1208 HydrophobicContact CD1-CD1 4.06Å; L1187-L1208 HydrophobicContact CD2-CB 3.81Å; L1187-L1208 HydrophobicContact CG-CB 4.44Å; T1204-L1208 HydrophobicContact CG2-CD1 3.85Å; T1204-L1208 WeakPolarHBondContact O-CB 3.49Å; T1204-L1208 WeakPolarHBondContact O-CG 3.09Å; T1204-L1208 PolarHBondContact O-N 3Å; V1205-L1208 PolarHBondContact O-N 3.41Å; L1208-F1210 PolarHBondContact O-N 3.41Å; L1208-E1211 PolarHBondContact O-N 3.12Å; L1208-N1212 VanDerWaalsContact O-CB 3.32Å; L1208-N1212 WeakPolarHBondContact O-CB 3.48Å; L1208-N1212 PolarHBondContact O-N 2.74Å
1209	A	91.5	Very high	87.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-25.7	176.7	0	0	0	0	0	112.4	F1180 F1183 L1184 L1187 V1205 V1213 W1234	F1180-A1209 HydrophobicContact CZ-CB 4.41Å; F1183-A1209 HydrophobicContact CE1-CB 4.47Å; L1184-A1209 HydrophobicContact CD1-CB 3.6Å; L1187-A1209 HydrophobicContact CD2-CB 3.9Å; V1205-A1209 WeakPolarHBondContact O-CB 3.31Å; V1205-A1209 PolarHBondContact O-N 2.74Å; A1209-V1213 WeakPolarHBondContact O-CB 3.33Å; A1209-W1234 HydrophobicContact CB-CZ3 4.2Å
1210	F	89.8	Confident	87.7	Confident	24 Å²	24	51.6 Å²	51.6	11%	0.105	27%	0.271	C	S	.	.	H	α-helix	trans	-90.2	-39.7	172.9	-178.7	-93.8	0	0	0	112.8	S1207 L1208 V1213 R1218 I1221 R1222 R1225 W1234	S1207-F1210 PolarHBondContact O-N 2.8Å; L1208-F1210 PolarHBondContact O-N 3.41Å; F1210-V1213 VanDerWaalsContact O-CG1 3.26Å; F1210-V1213 WeakPolarHBondContact O-CG1 3.46Å; F1210-R1218 HydrophobicContact CE2-CG 4.38Å; F1210-R1218 HydrophobicContact CZ-CG 4.29Å; F1210-I1221 HydrophobicContact CD2-CB 4.22Å; F1210-I1221 HydrophobicContact CD2-CG2 3.65Å; F1210-I1221 HydrophobicContact CE2-CB 4.36Å; F1210-I1221 HydrophobicContact CE2-CG2 4.09Å; F1210-R1222 HydrophobicContact CE2-CB 4.33Å; F1210-R1222 HydrophobicContact CZ-CB 4.41Å; F1210-R1222 HydrophobicContact CZ-CG 4.49Å; F1210-R1225 HydrophobicContact CD2-CB 4.43Å; F1210-R1225 HydrophobicContact CE2-CB 4.37Å; F1210-W1234 HydrophobicContact CB-CH2 4.28Å; F1210-W1234 HydrophobicContact CB-CZ3 4.16Å
1211	E	87.5	Confident	88.4	Confident	92 Å²	92	49.8 Å²	49.8	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-71	-31.9	-176.3	-75.5	172.3	-152.9	0	0	113.2	S1207 L1208 R1218	S1207-E1211 PolarHBondContact O-N 3.12Å; S1207-E1211 VanDerWaalsContact O-N 3.14Å; S1207-E1211 PolarHBondContact OG-OE1 3.19Å; L1208-E1211 PolarHBondContact O-N 3.12Å; E1211-R1218 PolarHBondContact O-NH2 3.42Å
1212	N	91.9	Very high	88.4	Confident	22 Å²	22	52.3 Å²	52.3	12%	0.118	27%	0.265	C	S	.	.	S	Bend	trans	-104.7	6.6	-172.9	-67.7	2.7	0	0	0	113.5	T1170 V1172 I1173 Q1174 F1183 L1208	T1170-N1212 PolarHBondContact O-ND2 3.24Å; V1172-N1212 WeakPolarHBondContact O-CB 3.49Å; V1172-N1212 PolarHBondContact O-ND2 3.21Å; I1173-N1212 HydrophobicContact CG1-CB 4.24Å; Q1174-N1212 PolarHBondContact N-O 2.98Å; F1183-N1212 HydrophobicContact CE2-CB 4.16Å; F1183-N1212 HydrophobicContact CZ-CB 3.92Å; L1208-N1212 VanDerWaalsContact O-CB 3.32Å; L1208-N1212 WeakPolarHBondContact O-CB 3.48Å; L1208-N1212 PolarHBondContact O-N 2.74Å
1213	V	92.3	Very high	88.5	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.012	26%	0.26	C	S	.	.	S	Bend	trans	-76.1	149.8	179	83.9	0	0	0	0	111.6	F1180 F1183 A1209 F1210 C1217 R1218 I1221	F1180-V1213 HydrophobicContact CD2-CG2 3.52Å; F1180-V1213 HydrophobicContact CE2-CB 4.49Å; F1180-V1213 HydrophobicContact CE2-CG2 3.59Å; F1183-V1213 HydrophobicContact CE1-CB 4.44Å; F1183-V1213 HydrophobicContact CE1-CG2 4.41Å; A1209-V1213 WeakPolarHBondContact O-CB 3.33Å; F1210-V1213 VanDerWaalsContact O-CG1 3.26Å; F1210-V1213 WeakPolarHBondContact O-CG1 3.46Å; V1213-C1217 HydrophobicContact CG2-CB 3.41Å; V1213-C1217 VanDerWaalsContact CG2-CB 3.41Å; V1213-R1218 HydrophobicContact CG1-CB 3.5Å; V1213-R1218 VanDerWaalsContact CG1-CB 3.5Å; V1213-R1218 HydrophobicContact CG1-CG 3.82Å; V1213-R1218 PolarHBondContact O-NE 3.03Å; V1213-R1218 PolarHBondContact O-NH2 3.16Å; V1213-I1221 HydrophobicContact CG2-CD1 4.09Å
1214	N	90.6	Very high	88.6	Confident	23 Å²	23	46.8 Å²	46.8	12%	0.123	24%	0.239	C	C	.	.			trans	-67	164.2	177.5	73.1	28	0	0	0	111.6	Q1174 G1175 E1216 C1217 R1218	Q1174-N1214 HydrophobicContact CB-CB 4.37Å; Q1174-N1214 VanDerWaalsContact CD-ND2 3.26Å; Q1174-N1214 HydrophobicContact CG-CB 4.3Å; Q1174-N1214 PolarHBondContact NE2-ND2 3.07Å; Q1174-N1214 PolarHBondContact OE1-ND2 3.43Å; Q1174-N1214 PolarHBondContact OE1-OD1 3.4Å; G1175-N1214 PolarHBondContact O-ND2 3.26Å; N1214-E1216 PolarHBondContact O-N 3.26Å; N1214-E1216 PolarHBondContact OD1-N 3.13Å; N1214-C1217 PolarHBondContact O-N 3.45Å; N1214-C1217 WeakPolarHBondContact OD1-CB 3.3Å; N1214-C1217 PolarHBondContact OD1-N 3.41Å; N1214-R1218 VanDerWaalsContact O-CB 3.26Å; N1214-R1218 WeakPolarHBondContact O-CB 3.28Å; N1214-R1218 PolarHBondContact O-N 2.89Å
1215	T	85.9	Confident	88.4	Confident	110 Å²	110	50 Å²	50	68%	0.675	25%	0.247	S	C	*	.	H	α-helix	trans	-58.1	-42.7	-171.9	1.9	0	0	0	0	113.2	R1218 E1219	T1215-R1218 WeakPolarHBondContact O-CB 3.06Å; T1215-R1218 PolarHBondContact O-N 3.36Å; T1215-E1219 WeakPolarHBondContact O-CG 3.34Å; T1215-E1219 PolarHBondContact O-N 3.4Å; T1215-E1219 VanDerWaalsContact O-N 3.14Å
1216	E	86.4	Confident	87.9	Confident	124 Å²	124	53.4 Å²	53.4	58%	0.579	28%	0.277	S	S	*	.	H	α-helix	trans	-66.9	-48.8	-178.4	-66	-178.2	172.1	0	0	112.2	N1214 R1218 E1219 G1220 I1241	N1214-E1216 PolarHBondContact O-N 3.26Å; N1214-E1216 PolarHBondContact OD1-N 3.13Å; E1216-R1218 VanDerWaalsContact C-N 3.28Å; E1216-R1218 PolarHBondContact O-N 3.11Å; E1216-E1219 PolarHBondContact O-N 3.18Å; E1216-G1220 PolarHBondContact O-N 3.13Å; E1216-I1241 HydrophobicContact CB-CG2 3.56Å
1217	C	89.9	Confident	87.7	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-34	175.9	-75.3	0	0	0	0	111.2	V1213 N1214 E1219 G1220 I1221 T1238	V1213-C1217 HydrophobicContact CG2-CB 3.41Å; V1213-C1217 VanDerWaalsContact CG2-CB 3.41Å; N1214-C1217 PolarHBondContact O-N 3.45Å; N1214-C1217 WeakPolarHBondContact OD1-CB 3.3Å; N1214-C1217 PolarHBondContact OD1-N 3.41Å; C1217-E1219 PolarHBondContact O-N 2.9Å; C1217-G1220 PolarHBondContact O-N 3.13Å; C1217-I1221 WeakPolarHBondContact O-CB 3.49Å; C1217-I1221 VanDerWaalsContact O-CG1 3.23Å; C1217-I1221 WeakPolarHBondContact O-CG1 3.38Å; C1217-I1221 PolarHBondContact O-N 3.49Å; C1217-T1238 HydrophobicContact CB-CG2 4.03Å
1218	R	89.3	Confident	87.5	Confident	82 Å²	82	60.9 Å²	60.9	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-60.9	-43.5	177	-160.5	176.6	-64.3	-140	-4.6	112	F1210 E1211 V1213 N1214 T1215 E1216 I1221 R1222	F1210-R1218 HydrophobicContact CE2-CG 4.38Å; F1210-R1218 HydrophobicContact CZ-CG 4.29Å; E1211-R1218 PolarHBondContact O-NH2 3.42Å; V1213-R1218 HydrophobicContact CG1-CB 3.5Å; V1213-R1218 VanDerWaalsContact CG1-CB 3.5Å; V1213-R1218 HydrophobicContact CG1-CG 3.82Å; V1213-R1218 PolarHBondContact O-NE 3.03Å; V1213-R1218 PolarHBondContact O-NH2 3.16Å; N1214-R1218 VanDerWaalsContact O-CB 3.26Å; N1214-R1218 WeakPolarHBondContact O-CB 3.28Å; N1214-R1218 PolarHBondContact O-N 2.89Å; T1215-R1218 WeakPolarHBondContact O-CB 3.06Å; T1215-R1218 PolarHBondContact O-N 3.36Å; E1216-R1218 VanDerWaalsContact C-N 3.28Å; E1216-R1218 PolarHBondContact O-N 3.11Å; R1218-I1221 PolarHBondContact O-N 2.92Å; R1218-R1222 WeakPolarHBondContact O-CB 3.35Å; R1218-R1222 PolarHBondContact O-N 3.5Å
1219	E	85.8	Confident	87.3	Confident	104 Å²	104	60.5 Å²	60.5	49%	0.486	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-40.5	175.8	-68.1	-56	134.9	0	0	111.5	T1215 E1216 C1217 R1222 P1223	T1215-E1219 WeakPolarHBondContact O-CG 3.34Å; T1215-E1219 PolarHBondContact O-N 3.4Å; T1215-E1219 VanDerWaalsContact O-N 3.14Å; E1216-E1219 PolarHBondContact O-N 3.18Å; C1217-E1219 PolarHBondContact O-N 2.9Å; E1219-R1222 IonicContact OE1-CZ 2.84Å; E1219-R1222 IonicContact OE1-NH1 2.69Å; E1219-R1222 PolarHBondContact OE1-NH1 3.09Å; E1219-R1222 IonicContact OE1-NH2 3.92Å; E1219-R1222 PolarHBondContact OE1-NH2 3.31Å; E1219-R1222 IonicContact OE2-CZ 3.27Å; E1219-R1222 IonicContact OE2-NH1 2.76Å; E1219-R1222 PolarHBondContact OE2-NH1 2.98Å; E1219-R1222 IonicContact OE2-NH2 3.17Å; E1219-P1223 VanDerWaalsContact O-CD 3.26Å; E1219-P1223 WeakPolarHBondContact O-CD 3.46Å
1220	G	86.3	Confident	87.1	Confident	15 Å²	15	63 Å²	63	16%	0.155	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-37.3	176	0	0	0	0	0	114.3	E1216 C1217	E1216-G1220 PolarHBondContact O-N 3.13Å; C1217-G1220 PolarHBondContact O-N 3.13Å
1221	I	91.4	Very high	87	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-84	-29.1	-177.2	-62.2	166.8	0	0	0	112.3	F1180 F1210 V1213 C1217 R1218 L1224 R1225 W1234 T1238	F1180-I1221 HydrophobicContact CD2-CD1 3.94Å; F1180-I1221 HydrophobicContact CE1-CD1 4.36Å; F1180-I1221 HydrophobicContact CE2-CD1 3.46Å; F1180-I1221 VanDerWaalsContact CE2-CD1 3.46Å; F1180-I1221 HydrophobicContact CZ-CD1 3.7Å; F1210-I1221 HydrophobicContact CD2-CB 4.22Å; F1210-I1221 HydrophobicContact CD2-CG2 3.65Å; F1210-I1221 HydrophobicContact CE2-CB 4.36Å; F1210-I1221 HydrophobicContact CE2-CG2 4.09Å; V1213-I1221 HydrophobicContact CG2-CD1 4.09Å; C1217-I1221 WeakPolarHBondContact O-CB 3.49Å; C1217-I1221 VanDerWaalsContact O-CG1 3.23Å; C1217-I1221 WeakPolarHBondContact O-CG1 3.38Å; C1217-I1221 PolarHBondContact O-N 3.49Å; R1218-I1221 PolarHBondContact O-N 2.92Å; I1221-L1224 WeakPolarHBondContact O-CA 3.41Å; I1221-L1224 WeakPolarHBondContact O-CB 3.45Å; I1221-L1224 PolarHBondContact O-N 3.4Å; I1221-R1225 PolarHBondContact O-N 3Å; I1221-W1234 HydrophobicContact CD1-CB 4.34Å; I1221-W1234 HydrophobicContact CD1-CE3 4.46Å; I1221-W1234 HydrophobicContact CG1-CB 4.14Å; I1221-W1234 HydrophobicContact CG1-CG 4.41Å; I1221-W1234 HydrophobicContact CG2-CB 4.38Å; I1221-W1234 HydrophobicContact CG2-CD2 3.5Å; I1221-W1234 HydrophobicContact CG2-CE3 3.81Å; I1221-W1234 HydrophobicContact CG2-CG 3.76Å; I1221-W1234 HydrophobicContact CG2-CZ2 4.37Å; I1221-W1234 HydrophobicContact CG2-CZ3 4.36Å; I1221-T1238 HydrophobicContact CD1-CG2 3.89Å; I1221-T1238 HydrophobicContact CG1-CG2 3.74Å
1222	R	88.2	Confident	86.9	Confident	117 Å²	117	63.3 Å²	63.3	44%	0.442	34%	0.337	S	S	.	.	H	α-helix	trans	-49.7	-46.1	-176.7	-170.4	-176.2	-65.8	141.1	4.8	114	F1210 R1218 E1219 L1224 A1226	F1210-R1222 HydrophobicContact CE2-CB 4.33Å; F1210-R1222 HydrophobicContact CZ-CB 4.41Å; F1210-R1222 HydrophobicContact CZ-CG 4.49Å; R1218-R1222 WeakPolarHBondContact O-CB 3.35Å; R1218-R1222 PolarHBondContact O-N 3.5Å; E1219-R1222 IonicContact OE1-CZ 2.84Å; E1219-R1222 IonicContact OE1-NH1 2.69Å; E1219-R1222 PolarHBondContact OE1-NH1 3.09Å; E1219-R1222 IonicContact OE1-NH2 3.92Å; E1219-R1222 PolarHBondContact OE1-NH2 3.31Å; E1219-R1222 IonicContact OE2-CZ 3.27Å; E1219-R1222 IonicContact OE2-NH1 2.76Å; E1219-R1222 PolarHBondContact OE2-NH1 2.98Å; E1219-R1222 IonicContact OE2-NH2 3.17Å; R1222-L1224 VanDerWaalsContact C-N 3.33Å; R1222-L1224 PolarHBondContact O-N 3.46Å; R1222-A1226 PolarHBondContact O-N 2.93Å
1223	P	85.1	Confident	86.7	Confident	74 Å²	74	65.7 Å²	65.7	48%	0.481	35%	0.347	S	S	.	.	H	α-helix	trans	-73.1	-18.7	175.9	17.7	-17.6	0	0	0	114.6	E1219 R1227	E1219-P1223 VanDerWaalsContact O-CD 3.26Å; E1219-P1223 WeakPolarHBondContact O-CD 3.46Å; P1223-R1227 PolarHBondContact O-NE 2.74Å
1224	L	87	Confident	86.7	Confident	5 Å²	5	66.1 Å²	66.1	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-78.2	-43.7	172.5	-73.7	165.3	0	0	0	111.4	I1221 R1222 A1226 R1227 S1228 A1229 E1233 Q1237	I1221-L1224 WeakPolarHBondContact O-CA 3.41Å; I1221-L1224 WeakPolarHBondContact O-CB 3.45Å; I1221-L1224 PolarHBondContact O-N 3.4Å; R1222-L1224 VanDerWaalsContact C-N 3.33Å; R1222-L1224 PolarHBondContact O-N 3.46Å; L1224-A1226 VanDerWaalsContact C-N 3.29Å; L1224-A1226 PolarHBondContact O-N 3.01Å; L1224-R1227 WeakPolarHBondContact O-CG 3.14Å; L1224-R1227 PolarHBondContact O-N 2.94Å; L1224-R1227 VanDerWaalsContact O-N 3.16Å; L1224-S1228 PolarHBondContact O-N 3.35Å; L1224-A1229 HydrophobicContact CB-CB 3.77Å; L1224-A1229 HydrophobicContact CD2-CB 3.73Å; L1224-A1229 HydrophobicContact CG-CB 4.37Å; L1224-A1229 WeakPolarHBondContact O-CB 3.25Å; L1224-A1229 PolarHBondContact O-N 2.93Å; L1224-E1233 HydrophobicContact CD2-CB 4.24Å; L1224-Q1237 HydrophobicContact CD1-CB 3.39Å; L1224-Q1237 HydrophobicContact CD1-CG 3.64Å
1225	R	81.4	Confident	86.6	Confident	102 Å²	102	67.5 Å²	67.5	39%	0.385	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-38.4	176.3	-168.8	176.9	-176.2	-151.5	5.4	112	F1210 I1221 R1227 S1228 W1234	F1210-R1225 HydrophobicContact CD2-CB 4.43Å; F1210-R1225 HydrophobicContact CE2-CB 4.37Å; I1221-R1225 PolarHBondContact O-N 3Å; R1225-R1227 PolarHBondContact O-N 3.46Å; R1225-S1228 PolarHBondContact O-N 2.66Å; R1225-S1228 VanDerWaalsContact O-N 3.09Å; R1225-W1234 HydrophobicContact CB-CZ2 4.26Å; R1225-W1234 HydrophobicContact CG-CZ2 4.23Å
1226	A	80.5	Confident	86.6	Confident	90 Å²	90	69.8 Å²	69.8	74%	0.744	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.4	177.7	0	0	0	0	0	114.1	R1222 L1224	R1222-A1226 PolarHBondContact O-N 2.93Å; L1224-A1226 VanDerWaalsContact C-N 3.29Å; L1224-A1226 PolarHBondContact O-N 3.01Å
1227	R	85.5	Confident	86.5	Confident	156 Å²	156	68.8 Å²	68.8	59%	0.589	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	12.1	176.6	64.1	178.4	122.4	161	5.2	113.5	P1223 L1224 R1225 A1229	P1223-R1227 PolarHBondContact O-NE 2.74Å; L1224-R1227 WeakPolarHBondContact O-CG 3.14Å; L1224-R1227 PolarHBondContact O-N 2.94Å; L1224-R1227 VanDerWaalsContact O-N 3.16Å; R1225-R1227 PolarHBondContact O-N 3.46Å; R1227-A1229 HydrophobicContact CG-CB 4.05Å; R1227-A1229 PolarHBondContact O-N 2.79Å
1228	S	82	Confident	86.3	Confident	114 Å²	114	68.8 Å²	68.8	80%	0.797	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	34.7	-176.9	-53	0	0	0	0	113.6	L1224 R1225	L1224-S1228 PolarHBondContact O-N 3.35Å; R1225-S1228 PolarHBondContact O-N 2.66Å; R1225-S1228 VanDerWaalsContact O-N 3.09Å
1229	A	86	Confident	85.7	Confident	13 Å²	13	67.6 Å²	67.6	11%	0.107	36%	0.355	C	S	.	.			trans	-60.4	147.8	174.3	0	0	0	0	0	111.6	L1224 R1227 E1233 W1234	L1224-A1229 HydrophobicContact CB-CB 3.77Å; L1224-A1229 HydrophobicContact CD2-CB 3.73Å; L1224-A1229 HydrophobicContact CG-CB 4.37Å; L1224-A1229 WeakPolarHBondContact O-CB 3.25Å; L1224-A1229 PolarHBondContact O-N 2.93Å; R1227-A1229 HydrophobicContact CG-CB 4.05Å; R1227-A1229 PolarHBondContact O-N 2.79Å; A1229-E1233 WeakPolarHBondContact CA-OE2 3.35Å; A1229-E1233 HydrophobicContact CB-CB 4.13Å; A1229-E1233 WeakPolarHBondContact CB-OE2 3.44Å; A1229-W1234 PolarHBondContact O-NE1 3.09Å; A1229-W1234 VanDerWaalsContact O-NE1 3.15Å
1230	S	87.2	Confident	84.9	Confident	52 Å²	52	69.3 Å²	69.3	36%	0.364	37%	0.367	S	S	.	.			trans	-71.8	159	178.9	75.4	0	0	0	0	112	D1232 E1233 W1234	S1230-D1232 PolarHBondContact O-N 2.74Å; S1230-E1233 PolarHBondContact N-OE2 3.42Å; S1230-E1233 WeakPolarHBondContact O-CA 3.48Å; S1230-E1233 WeakPolarHBondContact O-CB 3.16Å; S1230-E1233 PolarHBondContact O-N 3.48Å; S1230-W1234 PolarHBondContact O-N 3.24Å
1231	V	86.5	Confident	83.9	Confident	23 Å²	23	70.5 Å²	70.5	14%	0.139	37%	0.37	C	S	.	.	H	α-helix	trans	-57.9	-32.1	175.6	-177.3	0	0	0	0	111.8	L1184 E1206 E1233 W1234 I1235	L1184-V1231 HydrophobicContact CD1-CG1 4.2Å; L1184-V1231 HydrophobicContact CD2-CG1 3.5Å; E1206-V1231 HydrophobicContact CG-CG2 3.39Å; V1231-E1233 VanDerWaalsContact C-N 3.27Å; V1231-E1233 PolarHBondContact O-N 2.95Å; V1231-W1234 HydrophobicContact CG2-CE3 4.49Å; V1231-W1234 WeakPolarHBondContact O-CA 3.13Å; V1231-W1234 WeakPolarHBondContact O-CB 3.47Å; V1231-W1234 PolarHBondContact O-N 2.93Å; V1231-I1235 WeakPolarHBondContact O-CG1 3.44Å; V1231-I1235 PolarHBondContact O-N 3.27Å
1232	D	86.1	Confident	82.2	Confident	101 Å²	101	72.8 Å²	72.8	54%	0.54	39%	0.394	S	S	.	.	H	α-helix	trans	-63.2	-31.8	174.7	-62.1	-49.7	0	0	0	112.7	S1230 R1236	S1230-D1232 PolarHBondContact O-N 2.74Å; D1232-R1236 WeakPolarHBondContact O-CG 3.37Å; D1232-R1236 PolarHBondContact O-N 2.84Å; D1232-R1236 PolarHBondContact O-NH1 3.01Å
1233	E	87.4	Confident	80.4	Confident	71 Å²	71	71.3 Å²	71.3	33%	0.332	40%	0.401	S	S	.	.	H	α-helix	trans	-71.8	-34	172	-71.7	176.8	130.2	0	0	111.8	L1224 A1229 S1230 V1231 R1236 Q1237	L1224-E1233 HydrophobicContact CD2-CB 4.24Å; A1229-E1233 WeakPolarHBondContact CA-OE2 3.35Å; A1229-E1233 HydrophobicContact CB-CB 4.13Å; A1229-E1233 WeakPolarHBondContact CB-OE2 3.44Å; S1230-E1233 PolarHBondContact N-OE2 3.42Å; S1230-E1233 WeakPolarHBondContact O-CA 3.48Å; S1230-E1233 WeakPolarHBondContact O-CB 3.16Å; S1230-E1233 PolarHBondContact O-N 3.48Å; V1231-E1233 VanDerWaalsContact C-N 3.27Å; V1231-E1233 PolarHBondContact O-N 2.95Å; E1233-R1236 PolarHBondContact O-N 3.17Å; E1233-Q1237 PolarHBondContact O-N 3.26Å
1234	W	91.4	Very high	78.5	Confident	12 Å²	12	73.1 Å²	73.1	5%	0.045	42%	0.415	C	S	.	.	H	α-helix	trans	-63.7	-46.8	175.7	-57	5.9	0	0	0	109.8	F1180 E1206 A1209 F1210 I1221 R1225 A1229 S1230 V1231 R1236 Q1237 T1238	F1180-W1234 HydrophobicContact CE1-CB 3.99Å; F1180-W1234 HydrophobicContact CZ-CB 4.32Å; F1180-W1234 HydrophobicContact CZ-CE3 4.15Å; E1206-W1234 WeakPolarHBondContact O-CH2 3.47Å; A1209-W1234 HydrophobicContact CB-CZ3 4.2Å; F1210-W1234 HydrophobicContact CB-CH2 4.28Å; F1210-W1234 HydrophobicContact CB-CZ3 4.16Å; I1221-W1234 HydrophobicContact CD1-CB 4.34Å; I1221-W1234 HydrophobicContact CD1-CE3 4.46Å; I1221-W1234 HydrophobicContact CG1-CB 4.14Å; I1221-W1234 HydrophobicContact CG1-CG 4.41Å; I1221-W1234 HydrophobicContact CG2-CB 4.38Å; I1221-W1234 HydrophobicContact CG2-CD2 3.5Å; I1221-W1234 HydrophobicContact CG2-CE3 3.81Å; I1221-W1234 HydrophobicContact CG2-CG 3.76Å; I1221-W1234 HydrophobicContact CG2-CZ2 4.37Å; I1221-W1234 HydrophobicContact CG2-CZ3 4.36Å; R1225-W1234 HydrophobicContact CB-CZ2 4.26Å; R1225-W1234 HydrophobicContact CG-CZ2 4.23Å; A1229-W1234 PolarHBondContact O-NE1 3.09Å; A1229-W1234 VanDerWaalsContact O-NE1 3.15Å; S1230-W1234 PolarHBondContact O-N 3.24Å; V1231-W1234 HydrophobicContact CG2-CE3 4.49Å; V1231-W1234 WeakPolarHBondContact O-CA 3.13Å; V1231-W1234 WeakPolarHBondContact O-CB 3.47Å; V1231-W1234 PolarHBondContact O-N 2.93Å; W1234-R1236 VanDerWaalsContact C-N 3.33Å; W1234-R1236 PolarHBondContact O-N 3.38Å; W1234-Q1237 PolarHBondContact O-N 3.22Å; W1234-Q1237 VanDerWaalsContact O-N 3.17Å; W1234-T1238 WeakPolarHBondContact O-CG2 3.4Å; W1234-T1238 PolarHBondContact O-N 3.01Å; W1234-T1238 PolarHBondContact O-OG1 2.97Å
1235	I	88.2	Confident	75.9	Confident	52 Å²	52	83.4 Å²	83.4	27%	0.267	45%	0.454	S	S	.	.	H	α-helix	trans	-53.2	-50.2	175	-67.4	169.7	0	0	0	110.7	F1180 P1181 L1184 V1231 Q1237 T1238 A1239	F1180-I1235 HydrophobicContact CD1-CG1 4.13Å; F1180-I1235 HydrophobicContact CE1-CG1 4.06Å; P1181-I1235 HydrophobicContact CG-CG2 4.22Å; L1184-I1235 HydrophobicContact CD2-CD1 3.78Å; L1184-I1235 HydrophobicContact CD2-CG1 4.05Å; V1231-I1235 WeakPolarHBondContact O-CG1 3.44Å; V1231-I1235 PolarHBondContact O-N 3.27Å; I1235-Q1237 PolarHBondContact O-N 3Å; I1235-T1238 PolarHBondContact O-N 2.98Å; I1235-T1238 PolarHBondContact O-OG1 3.1Å; I1235-T1238 VanDerWaalsContact O-OG1 3.11Å; I1235-A1239 PolarHBondContact O-N 3.36Å; I1235-A1239 VanDerWaalsContact O-N 3.08Å
1236	R	86.4	Confident	73.4	Confident	157 Å²	157	87 Å²	87	59%	0.592	48%	0.48	S	S	*	.	H	α-helix	trans	-60.4	-41	179.3	-74.9	-171	-68.9	-87.1	10.3	113.2	D1232 E1233 W1234	D1232-R1236 WeakPolarHBondContact O-CG 3.37Å; D1232-R1236 PolarHBondContact O-N 2.84Å; D1232-R1236 PolarHBondContact O-NH1 3.01Å; E1233-R1236 PolarHBondContact O-N 3.17Å; W1234-R1236 VanDerWaalsContact C-N 3.33Å; W1234-R1236 PolarHBondContact O-N 3.38Å
1237	Q	84.1	Confident	71.1	Confident	103 Å²	103	93.3 Å²	93.3	48%	0.481	50%	0.499	S	S	.	.	H	α-helix	trans	-72.3	-32.1	-179.2	-172.6	68.2	38.2	0	0	112.9	L1224 E1233 W1234 I1235	L1224-Q1237 HydrophobicContact CD1-CB 3.39Å; L1224-Q1237 HydrophobicContact CD1-CG 3.64Å; E1233-Q1237 PolarHBondContact O-N 3.26Å; W1234-Q1237 PolarHBondContact O-N 3.22Å; W1234-Q1237 VanDerWaalsContact O-N 3.17Å; I1235-Q1237 PolarHBondContact O-N 3Å
1238	T	86	Confident	70.4	Confident	2 Å²	2	90.2 Å²	90.2	1%	0.012	49%	0.494	C	S	.	.	H	α-helix	trans	-88.6	-5.8	179.9	55.5	0	0	0	0	114.1	F1180 C1217 I1221 W1234 I1235 D1240 I1241	F1180-T1238 HydrophobicContact CB-CG2 4.17Å; F1180-T1238 VanDerWaalsContact CB-OG1 3.25Å; F1180-T1238 WeakPolarHBondContact CB-OG1 3.48Å; F1180-T1238 HydrophobicContact CD1-CG2 4.37Å; F1180-T1238 VanDerWaalsContact CD1-OG1 3.27Å; F1180-T1238 WeakPolarHBondContact CD1-OG1 3.3Å; F1180-T1238 HydrophobicContact CG-CG2 4.1Å; F1180-T1238 WeakPolarHBondContact CG-OG1 3.41Å; C1217-T1238 HydrophobicContact CB-CG2 4.03Å; I1221-T1238 HydrophobicContact CD1-CG2 3.89Å; I1221-T1238 HydrophobicContact CG1-CG2 3.74Å; W1234-T1238 WeakPolarHBondContact O-CG2 3.4Å; W1234-T1238 PolarHBondContact O-N 3.01Å; W1234-T1238 PolarHBondContact O-OG1 2.97Å; I1235-T1238 PolarHBondContact O-N 2.98Å; I1235-T1238 PolarHBondContact O-OG1 3.1Å; I1235-T1238 VanDerWaalsContact O-OG1 3.11Å; T1238-D1240 PolarHBondContact O-N 3.14Å; T1238-D1240 VanDerWaalsContact O-N 3.15Å; T1238-I1241 HydrophobicContact CG2-CD1 4.44Å; T1238-I1241 PolarHBondContact O-N 3.2Å
1239	A	76.8	Confident	69.8	Low	57 Å²	57	88.9 Å²	88.9	47%	0.471	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.6	-176.7	0	0	0	0	0	113.1	I1235	I1235-A1239 PolarHBondContact O-N 3.36Å; I1235-A1239 VanDerWaalsContact O-N 3.08Å
1240	D	69.2	Low	68.9	Low	139 Å²	139	93.1 Å²	93.1	74%	0.743	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.9	179.4	-64	-26.4	0	0	0	113.5	T1238	T1238-D1240 PolarHBondContact O-N 3.14Å; T1238-D1240 VanDerWaalsContact O-N 3.15Å
1241	I	64.7	Low	67.8	Low	40 Å²	40	95.5 Å²	95.5	21%	0.205	51%	0.507	C	S	.	.	S	Bend	trans	-92	107.3	-176.3	-55.6	178.5	0	0	0	108.4	E1216 T1238	E1216-I1241 HydrophobicContact CB-CG2 3.56Å; T1238-I1241 HydrophobicContact CG2-CD1 4.44Å; T1238-I1241 PolarHBondContact O-N 3.2Å
1242	G	56.7	Low	66.7	Low	49 Å²	49	100.1 Å²	100.1	51%	0.505	53%	0.53	S	S	.	.	S	Bend	trans	110.1	-16.4	-179.8	0	0	0	0	0	114.7	S1244	G1242-S1244 PolarHBondContact O-N 3.31Å; G1242-S1244 VanDerWaalsContact O-N 3.12Å
1243	S	50.8	Low	65.4	Low	86 Å²	86	100 Å²	100	60%	0.601	53%	0.529	S	S	*	.	S	Bend	trans	-75.1	99.5	161	-81.1	0	0	0	0	107.7	R1245	S1243-R1245 PolarHBondContact O-N 3.05Å
1244	S	43.9	Very low	63.8	Low	111 Å²	111	102.1 Å²	102.1	78%	0.776	54%	0.543	S	S	*	.			trans	-49.6	104.5	167.2	55.1	0	0	0	0	108.8	G1242 L1246	G1242-S1244 PolarHBondContact O-N 3.31Å; G1242-S1244 VanDerWaalsContact O-N 3.12Å; S1244-L1246 PolarHBondContact O-N 3.28Å; S1244-L1246 VanDerWaalsContact O-N 3.09Å
1245	R	33	Very low	61.7	Low	222 Å²	222	109 Å²	109	84%	0.838	58%	0.581	S	S	*	*			trans	-48.5	116.5	153.4	-81.2	179.8	173.4	177.6	-1.6	106.3	S1243 I1247	S1243-R1245 PolarHBondContact O-N 3.05Å; R1245-I1247 PolarHBondContact O-N 3.42Å
1246	L	29.4	Very low	59.5	Low	176 Å²	176	113.8 Å²	113.8	92%	0.921	61%	0.608	S	S	*	*			trans	-48.3	100.9	157	-73.3	146.5	0	0	0	107.9	S1244	S1244-L1246 PolarHBondContact O-N 3.28Å; S1244-L1246 VanDerWaalsContact O-N 3.09Å
1247	I	32.5	Very low	57	Low	223 Å²	223	109.8 Å²	109.8	100%	1.144	61%	0.609	S	S	*	*			trans	-131.4	0	152.9	-59.7	-177.2	0	0	0	106.3	R1245	R1245-I1247 PolarHBondContact O-N 3.42Å

Retrieved 1,247 of 1,247 residues in 705.9 ms (Link to these results)

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