G4VBQ0_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4VBQ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,068 aa.

						>G4VBQ0_SCHMA|G4VBQ0
MSLTSLAAYLSICIFAFVVNIHVEGLSPYGSQGVLIANTVDGSFIGLDIKSGKLVWKIDGPPLVSQSLSDLQLITKTKSYSIVPSLDGQLFLMERKLTGDSDLLRGASLKALPLSIDSLFSSNFMLTEDSLLTGGREHSTFTFNPNNGKIRYNCTRDGCTSSDVDKKLVEEPLNTNDPTIIVYRVNNVVRAVSAPSGIEKWNLSVHQYELCLLTGGIPTPTTAVQKTSPICNVPLGTPHTHKKFVDESFVDMEEPDWDIGLDKHTITARTKGLQSEEIWSYNFNSRISKAWIYRRDLQNLRPLSLFMYDRVALLLIEKVNEFKKATAISNLESLKEKGLNLFNGKNTLSSSRKQKPDCPSRDRLIYLGSLNGQLYVQTEDGVDLPNPEMINLSKSLSTNSAESLNNRRFDLTGYYQASYSNSPKLKKYTQPFLLYDSVEETIEKATALGFPSSVGQFKPVLGFQPETIPEKALTSTDIEMSDTSGIPGQFLDNANDLLMLLLRASEIAVNHSPSGIENSRSLGFNLSTYFMQLLVLTGVIYFTAHWIMNVKINYDTQLKNYSFQSESCNLESVVVKTHSSSENLCDTLKCLSCSTPNYLTSNPSCQSLLTTANTQPPSFISSFETDFKYIRRLGRGGFGQVFEVENRLDGCRYAIKRIKMNDTDDDKNIFLREVKALATLDHPGIVRYHRAWKEYPPAGWQESHDELVLGLSDDLTSRSSDFTDCGNNENCLSNTLFSSNVDSRHSSVSLCVDKSSIGLNESHHSSYRKLSKACLDDSLIVFDHQNSTETLSLDGSSLTEQSIKDKSKNETKYTCYLYIQMQLCSPISLRDWLVSHSIPESRPPRVELICMFRQIVEAVAYLHDHSLMHRDLKPSNILFDLTNRLKLADFGLVTSMIDDKLNQSDSSYINCNKRGEQSSCSSVTTIVNDLNGQSEHNNNNAIIDRQLYPLKEISTAQQKRSVLTRRHTDHVGTDLYMSPEQERGDNYNHKVDIFSLGLIFIELLIIFNTSMERIFTLTRAKHQKLPKEFIICNPFETEFVLKLLDYDPVKRPDAPAILESALIKQSVS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.6	Very low	58.3	Low	205 Å²	205	106.8 Å²	106.8	100%	1.01	61%	0.611	S	S	*	*				0	-28	0	-60.8	-169	87	0	0	113.8	T4 S5	M1-T4 PolarHBondContact O-OG1 2.82Å; M1-S5 PolarHBondContact O-N 3.22Å
2	S	53.7	Low	59.2	Low	95 Å²	95	107.5 Å²	107.5	66%	0.664	61%	0.609	S	S	*	*	H	α-helix	trans	-60.3	-50.8	176.9	47	0	0	0	0	113.5	T4 S5 L6	S2-T4 PolarHBondContact O-N 3.17Å; S2-S5 WeakPolarHBondContact O-CB 3.43Å; S2-S5 PolarHBondContact O-N 3.38Å; S2-S5 VanDerWaalsContact O-N 3.15Å; S2-L6 PolarHBondContact O-N 3.18Å
3	L	46	Very low	59.6	Low	143 Å²	143	104.2 Å²	104.2	75%	0.749	60%	0.595	S	S	*	*	H	α-helix	trans	-59.1	-39.5	-179.4	-80.2	131.7	0	0	0	114.1	L6 A7	L3-L6 PolarHBondContact O-N 3.13Å; L3-A7 WeakPolarHBondContact O-CB 3.48Å; L3-A7 PolarHBondContact O-N 3.35Å
4	T	52.2	Low	59.7	Low	101 Å²	101	104.2 Å²	104.2	62%	0.62	59%	0.591	S	S	*	*	H	α-helix	trans	-68.8	-35.5	177	45.7	0	0	0	0	112.1	M1 S2 A8	M1-T4 PolarHBondContact O-OG1 2.82Å; S2-T4 PolarHBondContact O-N 3.17Å; T4-A8 PolarHBondContact O-N 2.95Å; T4-A8 VanDerWaalsContact O-N 3.17Å
5	S	57.5	Low	59.5	Low	72 Å²	72	107.2 Å²	107.2	50%	0.503	60%	0.595	S	S	.	*	H	α-helix	trans	-66.4	-45.5	171.4	-170.8	0	0	0	0	110.9	M1 S2 A7 A8 Y9	M1-S5 PolarHBondContact O-N 3.22Å; S2-S5 WeakPolarHBondContact O-CB 3.43Å; S2-S5 PolarHBondContact O-N 3.38Å; S2-S5 VanDerWaalsContact O-N 3.15Å; S5-A7 PolarHBondContact O-N 3.06Å; S5-A8 PolarHBondContact O-N 3.1Å; S5-Y9 WeakPolarHBondContact O-CB 3.46Å; S5-Y9 PolarHBondContact O-N 3.49Å
6	L	60.6	Low	59	Low	113 Å²	113	103.1 Å²	103.1	59%	0.592	58%	0.58	S	S	*	*	H	α-helix	trans	-62.2	-40.4	180	-153.1	80.1	0	0	0	112.3	S2 L3 Y9 L10	S2-L6 PolarHBondContact O-N 3.18Å; L3-L6 PolarHBondContact O-N 3.13Å; L6-Y9 PolarHBondContact O-N 3.41Å; L6-L10 HydrophobicContact CG-CD1 4.39Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 PolarHBondContact O-N 3.33Å
7	A	58.8	Low	58.3	Low	59 Å²	59	105.7 Å²	105.7	49%	0.488	58%	0.584	S	S	.	*	H	α-helix	trans	-66.7	-39.7	175.7	0	0	0	0	0	112.5	L3 S5 S11	L3-A7 WeakPolarHBondContact O-CB 3.48Å; L3-A7 PolarHBondContact O-N 3.35Å; S5-A7 PolarHBondContact O-N 3.06Å; A7-S11 VanDerWaalsContact O-CB 3.29Å; A7-S11 WeakPolarHBondContact O-CB 3.34Å; A7-S11 PolarHBondContact O-N 3.06Å
8	A	67	Low	57.7	Low	50 Å²	50	104.6 Å²	104.6	41%	0.413	58%	0.58	S	S	.	*	H	α-helix	trans	-65.6	-41.6	173.1	0	0	0	0	0	111.6	T4 S5 S11 I12	T4-A8 PolarHBondContact O-N 2.95Å; T4-A8 VanDerWaalsContact O-N 3.17Å; S5-A8 PolarHBondContact O-N 3.1Å; A8-S11 PolarHBondContact O-N 2.78Å; A8-I12 WeakPolarHBondContact O-CB 3.36Å; A8-I12 VanDerWaalsContact O-CG1 3.27Å; A8-I12 WeakPolarHBondContact O-CG1 3.18Å; A8-I12 PolarHBondContact O-N 3Å
9	Y	69.4	Low	57	Low	165 Å²	165	102.5 Å²	102.5	65%	0.647	57%	0.57	S	S	*	*	H	α-helix	trans	-67.6	-40	177.5	-134.2	-83.4	0	0	0	112.1	S5 L6 C13	S5-Y9 WeakPolarHBondContact O-CB 3.46Å; S5-Y9 PolarHBondContact O-N 3.49Å; L6-Y9 PolarHBondContact O-N 3.41Å; Y9-C13 WeakPolarHBondContact O-CB 3.35Å; Y9-C13 PolarHBondContact O-N 3.35Å; Y9-C13 PolarHBondContact O-SG 3.31Å
10	L	66.2	Low	55.9	Low	98 Å²	98	102.9 Å²	102.9	51%	0.513	57%	0.571	S	S	.	*	H	α-helix	trans	-64.7	-42.3	171.7	-92.7	153.3	0	0	0	111.7	L6 C13 I14	L6-L10 HydrophobicContact CG-CD1 4.39Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 PolarHBondContact O-N 3.33Å; L10-C13 PolarHBondContact O-N 3.12Å; L10-I14 VanDerWaalsContact O-CB 3.3Å; L10-I14 WeakPolarHBondContact O-CB 3.29Å; L10-I14 WeakPolarHBondContact O-CD1 3.47Å; L10-I14 WeakPolarHBondContact O-CG1 3.42Å; L10-I14 PolarHBondContact O-N 2.68Å
11	S	62.7	Low	55	Low	74 Å²	74	103.2 Å²	103.2	52%	0.517	57%	0.571	S	S	.	*	H	α-helix	trans	-62.7	-46.9	175.8	-171.7	0	0	0	0	111.6	A7 A8 I14 F15	A7-S11 VanDerWaalsContact O-CB 3.29Å; A7-S11 WeakPolarHBondContact O-CB 3.34Å; A7-S11 PolarHBondContact O-N 3.06Å; A8-S11 PolarHBondContact O-N 2.78Å; S11-I14 PolarHBondContact O-N 3.33Å; S11-F15 WeakPolarHBondContact O-CB 3.42Å; S11-F15 PolarHBondContact O-N 2.91Å
12	I	69	Low	54.3	Low	115 Å²	115	101.2 Å²	101.2	59%	0.59	56%	0.559	S	S	*	*	H	α-helix	trans	-66.2	-40.6	177	-68.6	165.9	0	0	0	111.3	A8 F15 A16	A8-I12 WeakPolarHBondContact O-CB 3.36Å; A8-I12 VanDerWaalsContact O-CG1 3.27Å; A8-I12 WeakPolarHBondContact O-CG1 3.18Å; A8-I12 PolarHBondContact O-N 3Å; I12-F15 PolarHBondContact O-N 3.21Å; I12-A16 WeakPolarHBondContact O-CB 3.29Å; I12-A16 PolarHBondContact O-N 3.39Å
13	C	63.7	Low	53.2	Low	64 Å²	64	100.7 Å²	100.7	43%	0.432	55%	0.551	S	S	.	*	H	α-helix	trans	-66.2	-39	174.5	-76.2	0	0	0	0	112.1	Y9 L10 F17	Y9-C13 WeakPolarHBondContact O-CB 3.35Å; Y9-C13 PolarHBondContact O-N 3.35Å; Y9-C13 PolarHBondContact O-SG 3.31Å; L10-C13 PolarHBondContact O-N 3.12Å; C13-F17 WeakPolarHBondContact O-CB 3.44Å; C13-F17 PolarHBondContact O-N 2.96Å
14	I	61.6	Low	52.3	Low	105 Å²	105	102.7 Å²	102.7	54%	0.538	56%	0.557	S	S	.	*	H	α-helix	trans	-67.5	-42.5	174.9	-71.3	164.2	0	0	0	110.2	L10 S11 F17 V18	L10-I14 VanDerWaalsContact O-CB 3.3Å; L10-I14 WeakPolarHBondContact O-CB 3.29Å; L10-I14 WeakPolarHBondContact O-CD1 3.47Å; L10-I14 WeakPolarHBondContact O-CG1 3.42Å; L10-I14 PolarHBondContact O-N 2.68Å; S11-I14 PolarHBondContact O-N 3.33Å; I14-F17 PolarHBondContact O-N 2.91Å; I14-V18 HydrophobicContact CG2-CG2 4.4Å; I14-V18 WeakPolarHBondContact O-CB 3.5Å; I14-V18 VanDerWaalsContact O-CG2 3.27Å; I14-V18 WeakPolarHBondContact O-CG2 3.21Å; I14-V18 PolarHBondContact O-N 3.4Å
15	F	56.5	Low	51.1	Low	149 Å²	149	101.2 Å²	101.2	65%	0.654	56%	0.561	S	S	*	*	H	α-helix	trans	-65.2	-43.1	177	-146.2	-90.4	0	0	0	111.3	S11 I12 V18 V19	S11-F15 WeakPolarHBondContact O-CB 3.42Å; S11-F15 PolarHBondContact O-N 2.91Å; I12-F15 PolarHBondContact O-N 3.21Å; F15-V18 PolarHBondContact O-N 3.36Å; F15-V19 HydrophobicContact CD1-CG2 4.01Å; F15-V19 HydrophobicContact CE1-CG2 4.13Å; F15-V19 VanDerWaalsContact O-CB 3.3Å; F15-V19 WeakPolarHBondContact O-CB 3.32Å; F15-V19 WeakPolarHBondContact O-CG2 3.35Å; F15-V19 PolarHBondContact O-N 2.93Å
16	A	51.4	Low	49.5	Very low	42 Å²	42	106.1 Å²	106.1	35%	0.347	58%	0.581	S	S	.	*	H	α-helix	trans	-68.2	-31.1	174.3	0	0	0	0	0	112.8	I12 N20	I12-A16 WeakPolarHBondContact O-CB 3.29Å; I12-A16 PolarHBondContact O-N 3.39Å; A16-N20 WeakPolarHBondContact O-CB 3.33Å; A16-N20 PolarHBondContact O-N 3.09Å
17	F	48	Very low	47.9	Very low	147 Å²	147	104.9 Å²	104.9	65%	0.645	58%	0.582	S	S	*	*	H	α-helix	trans	-74.2	-39	174.4	-163.3	-112.4	0	0	0	111	C13 I14 I21	C13-F17 WeakPolarHBondContact O-CB 3.44Å; C13-F17 PolarHBondContact O-N 2.96Å; I14-F17 PolarHBondContact O-N 2.91Å; F17-I21 HydrophobicContact CD1-CD1 3.62Å; F17-I21 HydrophobicContact CE1-CD1 3.56Å; F17-I21 HydrophobicContact CG-CD1 4.21Å; F17-I21 HydrophobicContact CZ-CD1 4.1Å; F17-I21 WeakPolarHBondContact O-CB 3.24Å; F17-I21 WeakPolarHBondContact O-CD1 3.14Å; F17-I21 WeakPolarHBondContact O-CG1 3.38Å; F17-I21 PolarHBondContact O-N 3.25Å
18	V	46.8	Very low	46.3	Very low	86 Å²	86	107.9 Å²	107.9	52%	0.521	60%	0.596	S	S	.	*	H	α-helix	trans	-66.7	-39.3	172.9	168.9	0	0	0	0	111.6	I14 F15 H22	I14-V18 HydrophobicContact CG2-CG2 4.4Å; I14-V18 WeakPolarHBondContact O-CB 3.5Å; I14-V18 VanDerWaalsContact O-CG2 3.27Å; I14-V18 WeakPolarHBondContact O-CG2 3.21Å; I14-V18 PolarHBondContact O-N 3.4Å; F15-V18 PolarHBondContact O-N 3.36Å; V18-H22 PolarHBondContact O-N 3.1Å
19	V	43.5	Very low	44.7	Very low	65 Å²	65	115 Å²	115	39%	0.394	61%	0.614	S	S	.	*	H	α-helix	trans	-75	-39.8	177.4	171.2	0	0	0	0	112.2	F15 I21 H22 V23	F15-V19 HydrophobicContact CD1-CG2 4.01Å; F15-V19 HydrophobicContact CE1-CG2 4.13Å; F15-V19 VanDerWaalsContact O-CB 3.3Å; F15-V19 WeakPolarHBondContact O-CB 3.32Å; F15-V19 WeakPolarHBondContact O-CG2 3.35Å; F15-V19 PolarHBondContact O-N 2.93Å; V19-I21 VanDerWaalsContact C-N 3.34Å; V19-H22 CarbonylContact O-C 3.6Å; V19-H22 WeakPolarHBondContact O-CA 3.13Å; V19-H22 VanDerWaalsContact O-CB 3.27Å; V19-H22 WeakPolarHBondContact O-CB 3.49Å; V19-H22 PolarHBondContact O-N 3.4Å; V19-V23 PolarHBondContact O-N 2.68Å; V19-V23 VanDerWaalsContact O-N 3.14Å
20	N	35.6	Very low	43.2	Very low	110 Å²	110	109.8 Å²	109.8	59%	0.588	61%	0.611	S	S	*	*	H	α-helix	trans	-83	-6.5	175.7	-62.6	-7.8	0	0	0	113.4	A16 H22 V23	A16-N20 WeakPolarHBondContact O-CB 3.33Å; A16-N20 PolarHBondContact O-N 3.09Å; N20-H22 VanDerWaalsContact C-N 3.31Å; N20-V23 CarbonylContact C-O 3.54Å
21	I	37.1	Very low	42.5	Very low	110 Å²	110	106.1 Å²	106.1	56%	0.564	59%	0.593	S	S	*	*	H	α-helix	trans	-77.9	-22.1	158.6	-77.8	168.2	0	0	0	110.5	F17 V19	F17-I21 HydrophobicContact CD1-CD1 3.62Å; F17-I21 HydrophobicContact CE1-CD1 3.56Å; F17-I21 HydrophobicContact CG-CD1 4.21Å; F17-I21 HydrophobicContact CZ-CD1 4.1Å; F17-I21 WeakPolarHBondContact O-CB 3.24Å; F17-I21 WeakPolarHBondContact O-CD1 3.14Å; F17-I21 WeakPolarHBondContact O-CG1 3.38Å; F17-I21 PolarHBondContact O-N 3.25Å; V19-I21 VanDerWaalsContact C-N 3.34Å
22	H	32	Very low	42.9	Very low	163 Å²	163	106.5 Å²	106.5	76%	0.755	59%	0.587	S	S	*	*	S	Bend	trans	-87.9	-9.4	172.3	-99.2	69.2	0	0	0	114.5	V18 V19 N20	V18-H22 PolarHBondContact O-N 3.1Å; V19-H22 CarbonylContact O-C 3.6Å; V19-H22 WeakPolarHBondContact O-CA 3.13Å; V19-H22 VanDerWaalsContact O-CB 3.27Å; V19-H22 WeakPolarHBondContact O-CB 3.49Å; V19-H22 PolarHBondContact O-N 3.4Å; N20-H22 VanDerWaalsContact C-N 3.31Å
23	V	31.5	Very low	43.6	Very low	84 Å²	84	101.2 Å²	101.2	51%	0.509	56%	0.56	S	S	.	*	S	Bend	trans	-137.6	117.9	-176.2	-177.4	0	0	0	0	109.3	V19 N20	V19-V23 PolarHBondContact O-N 2.68Å; V19-V23 VanDerWaalsContact O-N 3.14Å; N20-V23 CarbonylContact C-O 3.54Å
24	E	26.3	Very low	44.9	Very low	185 Å²	185	98.1 Å²	98.1	86%	0.864	54%	0.54	S	S	*	.	S	Bend	trans	77	36.9	179.7	-61	-179.3	-177.3	0	0	117.7
25	G	27.1	Very low	46.3	Very low	69 Å²	69	93.1 Å²	93.1	71%	0.711	51%	0.514	S	S	*	.			trans	-98.3	111.5	158.9	0	0	0	0	0	112.7
26	L	25.2	Very low	48.1	Very low	175 Å²	175	86 Å²	86	92%	0.916	48%	0.483	S	S	*	.			trans	-84.5	118.2	-174	-63.1	101.2	0	0	0	114.2
27	S	26.4	Very low	50.1	Low	88 Å²	88	84 Å²	84	62%	0.615	47%	0.466	S	S	*	.			trans	-166.1	139.8	154.2	-161.2	0	0	0	0	111.1	Y29	S27-Y29 PolarHBondContact O-N 2.93Å; S27-Y29 WeakPolarHBondContact OG-CE2 3.4Å
28	P	26.4	Very low	52.2	Low	121 Å²	121	77.1 Å²	77.1	79%	0.786	44%	0.436	S	S	*	.			trans	-88.5	71.4	-160.5	35.8	-38.1	0	0	0	115.2
29	Y	32.4	Very low	54.3	Low	199 Å²	199	73.2 Å²	73.2	78%	0.78	41%	0.412	S	S	*	.			trans	-139.6	114.6	175.5	-52.7	-91.2	0	0	0	109.5	S27	S27-Y29 PolarHBondContact O-N 2.93Å; S27-Y29 WeakPolarHBondContact OG-CE2 3.4Å
30	G	37.4	Very low	56.5	Low	57 Å²	57	70.1 Å²	70.1	59%	0.588	39%	0.394	S	S	*	.			cis	105.5	107.4	18.8	0	0	0	0	0	109.7	R295	G30-R295 PolarHBondContact O-NH1 2.96Å
31	S	52.2	Low	59.1	Low	20 Å²	20	66.8 Å²	66.8	14%	0.14	38%	0.376	C	S	.	.			trans	27.3	110.5	176.6	-24.6	0	0	0	0	117.3	G33 D48 R295	S31-G33 WeakPolarHBondContact CB-O 3.38Å; S31-G33 PolarHBondContact O-N 3.43Å; S31-D48 VanDerWaalsContact CA-OD1 3.26Å; S31-D48 WeakPolarHBondContact CA-OD1 3.47Å; S31-D48 WeakPolarHBondContact CB-OD1 3.4Å; S31-D48 PolarHBondContact OG-OD1 3.06Å; S31-R295 VanDerWaalsContact CB-NH1 3.26Å; S31-R295 WeakPolarHBondContact O-CD 3.28Å; S31-R295 PolarHBondContact O-NE 3.03Å; S31-R295 PolarHBondContact O-NH1 2.89Å; S31-R295 PolarHBondContact OG-NH1 3.13Å
32	Q	70	Confident	61.5	Low	83 Å²	83	61.5 Å²	61.5	39%	0.388	35%	0.349	S	S	.	.	S	Bend	trans	-64.8	-18.7	168.9	-84.1	173.8	-51.8	0	0	113.1	M252 R295	Q32-M252 HydrophobicContact CB-CE 4.27Å; Q32-M252 PolarHBondContact OE1-SD 3.4Å; Q32-R295 WeakPolarHBondContact O-CB 3.45Å; Q32-R295 PolarHBondContact O-N 2.69Å
33	G	84.7	Confident	64.4	Low	3 Å²	3	54 Å²	54	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	169.2	168.7	0	0	0	0	0	112.4	S31 I49 Y293	S31-G33 WeakPolarHBondContact CB-O 3.38Å; S31-G33 PolarHBondContact O-N 3.43Å; G33-I49 VanDerWaalsContact C-CD1 3.47Å; G33-I49 WeakPolarHBondContact O-CG1 3.49Å; G33-I49 PolarHBondContact O-N 3.11Å; G33-Y293 CarbonylContact C-O 3.51Å; G33-Y293 WeakPolarHBondContact CA-O 3.48Å
34	V	90.3	Very high	67.4	Low	0 Å²	0	50 Å²	50	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126	179.7	-177.7	0	0	0	0	108.6	I36 L47 W56 Y293	V34-I36 HydrophobicContact CG1-CG1 4.05Å; V34-L47 CarbonylContact C-O 3.54Å; V34-L47 VanDerWaalsContact CA-O 3.3Å; V34-L47 WeakPolarHBondContact CA-O 3.36Å; V34-W56 HydrophobicContact CG1-CZ2 4.3Å; V34-Y293 PolarHBondContact N-O 3.26Å; V34-Y293 PolarHBondContact O-N 3.29Å
35	L	92.3	Very high	70.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.6	165.4	-177.9	152.3	0	0	0	107.5	A37 G46 L47 I49 W257 I266 I292 L303	L35-A37 HydrophobicContact CD2-CB 4.04Å; L35-G46 CarbonylContact O-C 3.41Å; L35-G46 WeakPolarHBondContact O-CA 3.24Å; L35-L47 HydrophobicContact CB-CB 4.47Å; L35-L47 HydrophobicContact CD2-CD1 4.45Å; L35-L47 PolarHBondContact N-O 3.26Å; L35-L47 PolarHBondContact O-N 2.66Å; L35-I49 HydrophobicContact CB-CG1 4.23Å; L35-W257 HydrophobicContact CD1-CE3 3.89Å; L35-W257 HydrophobicContact CD1-CH2 3.71Å; L35-W257 HydrophobicContact CD1-CZ2 4.39Å; L35-W257 HydrophobicContact CD1-CZ3 3.43Å; L35-W257 VanDerWaalsContact CD1-CZ3 3.43Å; L35-I266 HydrophobicContact CD1-CD1 4.41Å; L35-I266 HydrophobicContact CD1-CG2 4.16Å; L35-I266 HydrophobicContact CD2-CD1 3.86Å; L35-I292 HydrophobicContact CD1-CG1 4.5Å; L35-I292 HydrophobicContact CG-CG1 4.49Å; L35-L303 HydrophobicContact CD1-CD2 4.1Å
36	I	93.6	Very high	73.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	114.3	-178.8	-60.3	175.5	0	0	0	107.3	V34 F44 I45 W56 F143 P145 I180 L210 A290 W291 L300	V34-I36 HydrophobicContact CG1-CG1 4.05Å; I36-F44 HydrophobicContact CG2-CD1 4.23Å; I36-I45 WeakPolarHBondContact CA-O 3.28Å; I36-W56 HydrophobicContact CD1-CH2 4.35Å; I36-W56 HydrophobicContact CD1-CZ2 4.12Å; I36-W56 HydrophobicContact CG1-CH2 4.07Å; I36-W56 HydrophobicContact CG1-CZ2 3.91Å; I36-W56 HydrophobicContact CG2-CH2 3.95Å; I36-F143 HydrophobicContact CD1-CE2 4.32Å; I36-F143 HydrophobicContact CD1-CZ 4.21Å; I36-P145 HydrophobicContact CD1-CB 4.21Å; I36-I180 HydrophobicContact CD1-CD1 3.45Å; I36-I180 VanDerWaalsContact CD1-CD1 3.45Å; I36-L210 HydrophobicContact CG2-CD2 3.96Å; I36-A290 CarbonylContact O-C 3.52Å; I36-A290 WeakPolarHBondContact O-CA 3.42Å; I36-W291 HydrophobicContact CG2-CE3 4.48Å; I36-W291 PolarHBondContact N-O 3.4Å; I36-W291 PolarHBondContact O-N 3.2Å; I36-L300 HydrophobicContact CD1-CD1 4.36Å
37	A	92.7	Very high	77	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.5	176.6	0	0	0	0	0	110.3	L35 F44 I45 I266 F283 I287	L35-A37 HydrophobicContact CD2-CB 4.04Å; A37-F44 CarbonylContact O-C 3.59Å; A37-F44 WeakPolarHBondContact O-CA 3.35Å; A37-I45 PolarHBondContact N-O 3.14Å; A37-I45 PolarHBondContact O-N 3.3Å; A37-I266 HydrophobicContact CB-CD1 4.33Å; A37-F283 HydrophobicContact CB-CE1 3.61Å; A37-F283 HydrophobicContact CB-CZ 3.73Å; A37-I287 HydrophobicContact CB-CG2 4.42Å
38	N	92.1	Very high	80	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.011	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.3	169.1	178.7	-97.5	0	0	0	109	S43 F44 L63 Y208 S288 K289 W291	N38-S43 CarbonylContact C-O 3.44Å; N38-S43 WeakPolarHBondContact CA-O 3.17Å; N38-S43 PolarHBondContact ND2-O 3.27Å; N38-F44 HydrophobicContact CB-CD1 3.87Å; N38-F44 HydrophobicContact CB-CE1 3.65Å; N38-F44 HydrophobicContact CB-CZ 4.19Å; N38-F44 VanDerWaalsContact ND2-CE2 3.28Å; N38-F44 WeakPolarHBondContact ND2-CE2 3.38Å; N38-F44 VanDerWaalsContact ND2-CZ 3.26Å; N38-F44 WeakPolarHBondContact ND2-CZ 3.4Å; N38-L63 WeakPolarHBondContact OD1-CD1 3.32Å; N38-Y208 WeakPolarHBondContact ND2-CD2 3.44Å; N38-S288 PolarHBondContact O-N 3.29Å; N38-K289 PolarHBondContact N-O 3.37Å; N38-K289 PolarHBondContact O-N 3.27Å; N38-W291 HydrophobicContact CB-CH2 4.5Å; N38-W291 HydrophobicContact CB-CZ3 3.95Å
39	T	92.3	Very high	82.9	Confident	3 Å²	3	22.2 Å²	22.2	2%	0.018	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	157	179.2	43.8	0	0	0	0	112.2	D41 G42 S43 F283 S285 R286	T39-D41 WeakPolarHBondContact CB-OD1 3.36Å; T39-D41 PolarHBondContact O-N 3.3Å; T39-D41 VanDerWaalsContact O-N 3.15Å; T39-D41 PolarHBondContact OG1-OD1 3.39Å; T39-G42 WeakPolarHBondContact O-CA 3.36Å; T39-G42 PolarHBondContact O-N 2.99Å; T39-S43 PolarHBondContact N-O 2.79Å; T39-S43 WeakPolarHBondContact OG1-CB 3.45Å; T39-S43 PolarHBondContact OG1-O 3.18Å; T39-F283 HydrophobicContact CG2-CB 4.13Å; T39-F283 HydrophobicContact CG2-CD1 3.59Å; T39-F283 HydrophobicContact CG2-CE1 4.41Å; T39-F283 HydrophobicContact CG2-CG 4.21Å; T39-S285 WeakPolarHBondContact CG2-O 3.44Å; T39-R286 CarbonylContact C-O 3.59Å; T39-R286 WeakPolarHBondContact CA-O 3.43Å; T39-R286 WeakPolarHBondContact CB-O 3.36Å
40	V	89.5	Confident	85.3	Confident	1 Å²	1	18 Å²	18	1%	0.006	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.2	-174.5	175.6	0	0	0	0	112.9	G42 L63 L86 R286 L370 Y375	V40-G42 PolarHBondContact O-N 2.96Å; V40-L63 HydrophobicContact CB-CD1 4.48Å; V40-L63 HydrophobicContact CG1-CB 4.49Å; V40-L63 HydrophobicContact CG2-CD1 4.27Å; V40-L63 PolarHBondContact O-N 3.05Å; V40-L86 HydrophobicContact CG2-CD1 4.16Å; V40-R286 HydrophobicContact CG2-CB 4.22Å; V40-R286 WeakPolarHBondContact CG2-O 3.46Å; V40-R286 PolarHBondContact N-O 3.34Å; V40-L370 HydrophobicContact CG1-CB 4.37Å; V40-L370 HydrophobicContact CG1-CD1 4.36Å; V40-L370 HydrophobicContact CG1-CD2 4.21Å; V40-Y375 HydrophobicContact CG1-CD1 4.34Å; V40-Y375 HydrophobicContact CG1-CE1 3.81Å; V40-Y375 HydrophobicContact CG1-CE2 4.38Å; V40-Y375 HydrophobicContact CG2-CE2 4.28Å
41	D	89.5	Confident	87.6	Confident	39 Å²	39	17.8 Å²	17.8	21%	0.209	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.6	166.4	65.8	7.6	0	0	0	114.4	T39 S43 P61 P62 S285	T39-D41 WeakPolarHBondContact CB-OD1 3.36Å; T39-D41 PolarHBondContact O-N 3.3Å; T39-D41 VanDerWaalsContact O-N 3.15Å; T39-D41 PolarHBondContact OG1-OD1 3.39Å; D41-S43 WeakPolarHBondContact OD1-CB 3.46Å; D41-S43 PolarHBondContact OD1-N 3.16Å; D41-S43 PolarHBondContact OD1-OG 3.01Å; D41-S43 PolarHBondContact OD2-OG 2.83Å; D41-P61 CarbonylContact O-C 3.56Å; D41-P62 WeakPolarHBondContact O-CA 3.44Å; D41-S285 VanDerWaalsContact CG-CB 3.49Å; D41-S285 PolarHBondContact N-OG 2.89Å; D41-S285 VanDerWaalsContact OD2-CB 3.27Å; D41-S285 WeakPolarHBondContact OD2-CB 3.17Å
42	G	88.2	Confident	89.3	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	98.4	-10.8	-179.2	0	0	0	0	0	115.2	T39 V40 G60 P61	T39-G42 WeakPolarHBondContact O-CA 3.36Å; T39-G42 PolarHBondContact O-N 2.99Å; V40-G42 PolarHBondContact O-N 2.96Å; G42-G60 WeakPolarHBondContact O-CA 3.32Å; G42-P61 WeakPolarHBondContact CA-O 3.3Å
43	S	92.3	Very high	90.2	Very high	4 Å²	4	20.3 Å²	20.3	3%	0.028	10%	0.103	C	C	.	.			trans	-70.8	147.7	-176.8	-44.6	0	0	0	0	112.2	N38 T39 D41 K57 I58	N38-S43 CarbonylContact C-O 3.44Å; N38-S43 WeakPolarHBondContact CA-O 3.17Å; N38-S43 PolarHBondContact ND2-O 3.27Å; T39-S43 PolarHBondContact N-O 2.79Å; T39-S43 WeakPolarHBondContact OG1-CB 3.45Å; T39-S43 PolarHBondContact OG1-O 3.18Å; D41-S43 WeakPolarHBondContact OD1-CB 3.46Å; D41-S43 PolarHBondContact OD1-N 3.16Å; D41-S43 PolarHBondContact OD1-OG 3.01Å; D41-S43 PolarHBondContact OD2-OG 2.83Å; S43-K57 PolarHBondContact OG-NZ 2.59Å; S43-I58 CarbonylContact C-O 3.52Å; S43-I58 WeakPolarHBondContact CA-O 3.28Å
44	F	93.7	Very high	90.5	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.2	159.9	-71.2	-93.1	0	0	0	110.5	I36 A37 N38 W56 K57 I58 F141 V182 Y208 L210 W291	I36-F44 HydrophobicContact CG2-CD1 4.23Å; A37-F44 CarbonylContact O-C 3.59Å; A37-F44 WeakPolarHBondContact O-CA 3.35Å; N38-F44 HydrophobicContact CB-CD1 3.87Å; N38-F44 HydrophobicContact CB-CE1 3.65Å; N38-F44 HydrophobicContact CB-CZ 4.19Å; N38-F44 VanDerWaalsContact ND2-CE2 3.28Å; N38-F44 WeakPolarHBondContact ND2-CE2 3.38Å; N38-F44 VanDerWaalsContact ND2-CZ 3.26Å; N38-F44 WeakPolarHBondContact ND2-CZ 3.4Å; F44-W56 HydrophobicContact CB-CZ3 4.04Å; F44-K57 CarbonylContact O-C 3.56Å; F44-K57 WeakPolarHBondContact O-CA 3.46Å; F44-I58 HydrophobicContact CB-CB 4.32Å; F44-I58 PolarHBondContact N-O 3.4Å; F44-I58 PolarHBondContact O-N 3.1Å; F44-F141 HydrophobicContact CD2-CZ 4.14Å; F44-F141 HydrophobicContact CE2-CE1 4.34Å; F44-F141 AromaticContact CE2-CZ 3.91Å; F44-F141 HydrophobicContact CE2-CZ 3.91Å; F44-V182 HydrophobicContact CE2-CG1 4.2Å; F44-V182 HydrophobicContact CZ-CG1 3.83Å; F44-V182 HydrophobicContact CZ-CG2 4.35Å; F44-Y208 HydrophobicContact CE2-CD1 4.01Å; F44-Y208 HydrophobicContact CE2-CD2 4.14Å; F44-Y208 HydrophobicContact CE2-CE1 4.04Å; F44-Y208 HydrophobicContact CE2-CE2 4.22Å; F44-Y208 HydrophobicContact CE2-CG 4.04Å; F44-Y208 AromaticContact CZ-CD1 3.9Å; F44-Y208 HydrophobicContact CZ-CD1 3.9Å; F44-Y208 HydrophobicContact CZ-CD2 4.04Å; F44-Y208 HydrophobicContact CZ-CE1 4.41Å; F44-Y208 AromaticContact CZ-CG 3.67Å; F44-Y208 HydrophobicContact CZ-CG 3.67Å; F44-L210 HydrophobicContact CE1-CD1 3.63Å; F44-L210 HydrophobicContact CE1-CD2 4.31Å; F44-L210 HydrophobicContact CZ-CD1 3.94Å; F44-W291 HydrophobicContact CE1-CZ3 4.15Å
45	I	94.2	Very high	90.5	Very high	6 Å²	6	27 Å²	27	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128.1	179.5	-74.6	177.1	0	0	0	109.1	I36 A37 L47 L54 K57 Y281 F283	I36-I45 WeakPolarHBondContact CA-O 3.28Å; A37-I45 PolarHBondContact N-O 3.14Å; A37-I45 PolarHBondContact O-N 3.3Å; I45-L47 HydrophobicContact CG2-CD2 3.57Å; I45-L47 HydrophobicContact CG2-CG 3.98Å; I45-L54 HydrophobicContact CG2-CD1 3.73Å; I45-K57 HydrophobicContact CD1-CD 4.4Å; I45-K57 HydrophobicContact CG1-CB 4.42Å; I45-K57 HydrophobicContact CG1-CD 4.24Å; I45-K57 HydrophobicContact CG1-CG 3.91Å; I45-Y281 HydrophobicContact CG2-CE1 4.4Å; I45-F283 HydrophobicContact CB-CE1 4.02Å; I45-F283 HydrophobicContact CD1-CD1 3.86Å; I45-F283 HydrophobicContact CD1-CE1 4.11Å; I45-F283 HydrophobicContact CG2-CE1 3.92Å
46	G	93.5	Very high	90.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.6	171.7	0	0	0	0	0	111.3	L35 V55 W56	L35-G46 CarbonylContact O-C 3.41Å; L35-G46 WeakPolarHBondContact O-CA 3.24Å; G46-V55 PolarHBondContact O-N 2.82Å; G46-W56 PolarHBondContact N-O 2.75Å; G46-W56 PolarHBondContact O-N 3.27Å
47	L	93.1	Very high	90.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.4	176.5	-54.6	-176.9	0	0	0	111.4	V34 L35 I45 I49 K53 L54 W279 Y281 F283	V34-L47 CarbonylContact C-O 3.54Å; V34-L47 VanDerWaalsContact CA-O 3.3Å; V34-L47 WeakPolarHBondContact CA-O 3.36Å; L35-L47 HydrophobicContact CB-CB 4.47Å; L35-L47 HydrophobicContact CD2-CD1 4.45Å; L35-L47 PolarHBondContact N-O 3.26Å; L35-L47 PolarHBondContact O-N 2.66Å; I45-L47 HydrophobicContact CG2-CD2 3.57Å; I45-L47 HydrophobicContact CG2-CG 3.98Å; L47-I49 PolarHBondContact O-N 3.48Å; L47-K53 CarbonylContact C-O 3.55Å; L47-K53 WeakPolarHBondContact CA-O 3.02Å; L47-L54 HydrophobicContact CD2-CB 4.44Å; L47-L54 HydrophobicContact CD2-CD1 4.28Å; L47-W279 HydrophobicContact CD1-CH2 4.27Å; L47-W279 HydrophobicContact CD1-CZ3 4.18Å; L47-Y281 HydrophobicContact CD1-CD1 3.79Å; L47-Y281 HydrophobicContact CD1-CD2 4.1Å; L47-Y281 HydrophobicContact CD1-CE1 4.49Å; L47-Y281 HydrophobicContact CD1-CG 3.56Å; L47-Y281 HydrophobicContact CD2-CD1 4.12Å; L47-Y281 HydrophobicContact CD2-CD2 3.65Å; L47-Y281 HydrophobicContact CD2-CE1 4.09Å; L47-Y281 HydrophobicContact CD2-CE2 3.61Å; L47-Y281 HydrophobicContact CD2-CG 3.92Å; L47-Y281 HydrophobicContact CG-CG 4.42Å; L47-F283 HydrophobicContact CD1-CE2 4.42Å; L47-F283 HydrophobicContact CD1-CZ 3.95Å
48	D	89.4	Confident	90.5	Very high	20 Å²	20	32.3 Å²	32.3	11%	0.107	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	120.3	172.2	175.4	99.3	0	0	0	110.4	S31 K50 S51 G52 K53 V55	S31-D48 VanDerWaalsContact CA-OD1 3.26Å; S31-D48 WeakPolarHBondContact CA-OD1 3.47Å; S31-D48 WeakPolarHBondContact CB-OD1 3.4Å; S31-D48 PolarHBondContact OG-OD1 3.06Å; D48-K50 PolarHBondContact O-N 3.19Å; D48-K50 VanDerWaalsContact O-N 3.13Å; D48-K50 PolarHBondContact OD2-N 3.44Å; D48-S51 WeakPolarHBondContact CB-OG 3.1Å; D48-S51 PolarHBondContact O-N 3.13Å; D48-S51 WeakPolarHBondContact OD2-CB 3.42Å; D48-S51 PolarHBondContact OD2-N 3.03Å; D48-S51 PolarHBondContact OD2-OG 3.07Å; D48-G52 WeakPolarHBondContact O-CA 3.36Å; D48-G52 PolarHBondContact O-N 3.27Å; D48-K53 PolarHBondContact N-O 2.76Å; D48-V55 HydrophobicContact CB-CG2 3.96Å
49	I	86.4	Confident	90.4	Very high	27 Å²	27	38 Å²	38	14%	0.138	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.2	-172.1	-69.4	177.3	0	0	0	113.2	G33 L35 L47 W257 W279 I292	G33-I49 VanDerWaalsContact C-CD1 3.47Å; G33-I49 WeakPolarHBondContact O-CG1 3.49Å; G33-I49 PolarHBondContact O-N 3.11Å; L35-I49 HydrophobicContact CB-CG1 4.23Å; L47-I49 PolarHBondContact O-N 3.48Å; I49-W257 HydrophobicContact CG2-CH2 4.23Å; I49-W257 HydrophobicContact CG2-CZ2 4.44Å; I49-W279 PolarHBondContact O-NE1 3.47Å; I49-I292 HydrophobicContact CD1-CG2 3.81Å
50	K	84.3	Confident	90.1	Very high	111 Å²	111	39.2 Å²	39.2	48%	0.483	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-31.9	-177.9	-67.3	-162.8	177	-166.5	0	113.3	D48 M252	D48-K50 PolarHBondContact O-N 3.19Å; D48-K50 VanDerWaalsContact O-N 3.13Å; D48-K50 PolarHBondContact OD2-N 3.44Å; K50-M252 WeakPolarHBondContact CE-SD 3.48Å; K50-M252 PolarHBondContact NZ-SD 3.43Å
51	S	85.9	Confident	89.9	Confident	52 Å²	52	41.5 Å²	41.5	36%	0.364	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-5.3	-167	62.5	0	0	0	0	115	D48 K53	D48-S51 WeakPolarHBondContact CB-OG 3.1Å; D48-S51 PolarHBondContact O-N 3.13Å; D48-S51 WeakPolarHBondContact OD2-CB 3.42Å; D48-S51 PolarHBondContact OD2-N 3.03Å; D48-S51 PolarHBondContact OD2-OG 3.07Å; S51-K53 PolarHBondContact O-N 2.76Å
52	G	86.4	Confident	89.7	Confident	8 Å²	8	41.9 Å²	41.9	8%	0.082	23%	0.226	C	C	.	.			trans	66.8	3.3	-177.4	0	0	0	0	0	114.4	D48 W279 Y281	D48-G52 WeakPolarHBondContact O-CA 3.36Å; D48-G52 PolarHBondContact O-N 3.27Å; G52-W279 VanDerWaalsContact CA-CE3 3.45Å; G52-Y281 WeakPolarHBondContact O-CD2 3.19Å
53	K	90	Very high	89.7	Confident	149 Å²	149	42 Å²	42	65%	0.648	23%	0.226	S	C	*	.			trans	-73.6	137.3	-174.6	-69.2	-176.6	178.7	-179	0	111.1	L47 D48 S51 V55	L47-K53 CarbonylContact C-O 3.55Å; L47-K53 WeakPolarHBondContact CA-O 3.02Å; D48-K53 PolarHBondContact N-O 2.76Å; S51-K53 PolarHBondContact O-N 2.76Å; K53-V55 PolarHBondContact O-N 3.01Å
54	L	91.3	Very high	89.4	Confident	89 Å²	89	42.2 Å²	42.2	47%	0.466	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	120.6	169	-178.5	65	0	0	0	110.1	I45 L47 W56 Y281	I45-L54 HydrophobicContact CG2-CD1 3.73Å; L47-L54 HydrophobicContact CD2-CB 4.44Å; L47-L54 HydrophobicContact CD2-CD1 4.28Å; L54-W56 VanDerWaalsContact CD1-O 3.31Å; L54-W56 WeakPolarHBondContact CD1-O 3.38Å; L54-Y281 HydrophobicContact CB-CE2 4.27Å
55	V	90.3	Very high	88.8	Confident	53 Å²	53	44.6 Å²	44.6	32%	0.321	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-42.5	175	-166.4	0	0	0	0	110	G46 D48 K53 N146	G46-V55 PolarHBondContact O-N 2.82Å; D48-V55 HydrophobicContact CB-CG2 3.96Å; K53-V55 PolarHBondContact O-N 3.01Å; V55-N146 WeakPolarHBondContact CG1-O 3.45Å
56	W	93.3	Very high	88	Confident	14 Å²	14	44.6 Å²	44.6	5%	0.053	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	158.5	-180	49.8	-100.8	0	0	0	111.6	V34 I36 F44 G46 L54 I58 F143 P145 N147 G148	V34-W56 HydrophobicContact CG1-CZ2 4.3Å; I36-W56 HydrophobicContact CD1-CH2 4.35Å; I36-W56 HydrophobicContact CD1-CZ2 4.12Å; I36-W56 HydrophobicContact CG1-CH2 4.07Å; I36-W56 HydrophobicContact CG1-CZ2 3.91Å; I36-W56 HydrophobicContact CG2-CH2 3.95Å; F44-W56 HydrophobicContact CB-CZ3 4.04Å; G46-W56 PolarHBondContact N-O 2.75Å; G46-W56 PolarHBondContact O-N 3.27Å; L54-W56 VanDerWaalsContact CD1-O 3.31Å; L54-W56 WeakPolarHBondContact CD1-O 3.38Å; W56-I58 HydrophobicContact CE3-CD1 4.24Å; W56-I58 HydrophobicContact CE3-CG1 4.03Å; W56-I58 HydrophobicContact CZ3-CD1 4.01Å; W56-I58 HydrophobicContact CZ3-CG1 4.14Å; W56-F143 HydrophobicContact CH2-CD2 4.14Å; W56-F143 AromaticContact CH2-CE2 3.36Å; W56-F143 HydrophobicContact CH2-CE2 3.36Å; W56-F143 AromaticContact CH2-CZ 3.87Å; W56-F143 HydrophobicContact CH2-CZ 3.87Å; W56-F143 HydrophobicContact CZ2-CD2 4.26Å; W56-F143 AromaticContact CZ2-CE2 3.53Å; W56-F143 HydrophobicContact CZ2-CE2 3.53Å; W56-F143 HydrophobicContact CZ2-CZ 4.38Å; W56-F143 HydrophobicContact CZ3-CE2 4.17Å; W56-P145 PolarHBondContact NE1-O 3.49Å; W56-N147 WeakPolarHBondContact CB-O 3.45Å; W56-G148 VanDerWaalsContact CD1-N 3.3Å
57	K	93.1	Very high	87	Confident	82 Å²	82	46 Å²	46	36%	0.357	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.6	169.5	-173.2	173	-158.9	-100.2	0	109.1	S43 F44 I45 D59	S43-K57 PolarHBondContact OG-NZ 2.59Å; F44-K57 CarbonylContact O-C 3.56Å; F44-K57 WeakPolarHBondContact O-CA 3.46Å; I45-K57 HydrophobicContact CD1-CD 4.4Å; I45-K57 HydrophobicContact CG1-CB 4.42Å; I45-K57 HydrophobicContact CG1-CD 4.24Å; I45-K57 HydrophobicContact CG1-CG 3.91Å; K57-D59 IonicContact NZ-OD1 3.11Å; K57-D59 PolarHBondContact NZ-OD1 3.4Å
58	I	91.7	Very high	85.8	Confident	16 Å²	16	46.1 Å²	46.1	8%	0.082	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.1	169.1	-56.2	171.9	0	0	0	106.5	S43 F44 W56 F141 F143 G148 I150	S43-I58 CarbonylContact C-O 3.52Å; S43-I58 WeakPolarHBondContact CA-O 3.28Å; F44-I58 HydrophobicContact CB-CB 4.32Å; F44-I58 PolarHBondContact N-O 3.4Å; F44-I58 PolarHBondContact O-N 3.1Å; W56-I58 HydrophobicContact CE3-CD1 4.24Å; W56-I58 HydrophobicContact CE3-CG1 4.03Å; W56-I58 HydrophobicContact CZ3-CD1 4.01Å; W56-I58 HydrophobicContact CZ3-CG1 4.14Å; I58-F141 HydrophobicContact CD1-CE2 4.43Å; I58-F143 HydrophobicContact CD1-CB 3.89Å; I58-F143 HydrophobicContact CD1-CD1 4.2Å; I58-F143 HydrophobicContact CD1-CD2 3.98Å; I58-F143 HydrophobicContact CD1-CG 3.77Å; I58-G148 WeakPolarHBondContact CD1-O 3.22Å; I58-I150 HydrophobicContact CD1-CG1 4.4Å; I58-I150 HydrophobicContact CG2-CD1 3.93Å; I58-I150 HydrophobicContact CG2-CG1 4.42Å
59	D	90	Very high	84.5	Confident	122 Å²	122	45.9 Å²	45.9	65%	0.652	25%	0.254	S	S	*	.			trans	-82.2	145.4	178	-67.8	-50.3	0	0	0	111.7	K57	K57-D59 IonicContact NZ-OD1 3.11Å; K57-D59 PolarHBondContact NZ-OD1 3.4Å
60	G	84.9	Confident	83.5	Confident	28 Å²	28	49.4 Å²	49.4	29%	0.289	27%	0.274	S	S	.	.			trans	-146.6	171.2	-179.6	0	0	0	0	0	111.7	G42	G42-G60 WeakPolarHBondContact O-CA 3.32Å
61	P	85.4	Confident	82.6	Confident	49 Å²	49	44.7 Å²	44.7	32%	0.318	25%	0.253	S	S	.	.			trans	-79	148.6	178.5	31	-33.5	0	0	0	112.4	D41 G42 L63 R184	D41-P61 CarbonylContact O-C 3.56Å; G42-P61 WeakPolarHBondContact CA-O 3.3Å; P61-L63 PolarHBondContact O-N 3.48Å; P61-R184 VanDerWaalsContact CG-NH2 3.28Å
62	P	87.3	Confident	81.7	Confident	48 Å²	48	46.3 Å²	46.3	31%	0.312	26%	0.255	S	S	.	.			trans	-45.6	134.7	-179.9	-34	37.9	0	0	0	114.7	D41 V64 H206 L370	D41-P62 WeakPolarHBondContact O-CA 3.44Å; P62-V64 PolarHBondContact O-N 3.16Å; P62-H206 PolarHBondContact O-CE1 3.47Å; P62-H206 PolarHBondContact O-ND1 3.42Å; P62-L370 HydrophobicContact CB-CD2 3.9Å
63	L	87.7	Confident	80.7	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	26%	0.258	C	S	.	.	S	Bend	trans	-65.6	-27.3	179.9	-59.6	-169.8	0	0	0	113.2	N38 V40 P61 L86 V205 H206 Y208 S288	N38-L63 WeakPolarHBondContact OD1-CD1 3.32Å; V40-L63 HydrophobicContact CB-CD1 4.48Å; V40-L63 HydrophobicContact CG1-CB 4.49Å; V40-L63 HydrophobicContact CG2-CD1 4.27Å; V40-L63 PolarHBondContact O-N 3.05Å; P61-L63 PolarHBondContact O-N 3.48Å; L63-L86 HydrophobicContact CB-CD2 4.45Å; L63-V205 CarbonylContact O-C 3.54Å; L63-V205 VanDerWaalsContact O-CA 3.3Å; L63-V205 WeakPolarHBondContact O-CA 3.45Å; L63-H206 HydrophobicContact CD2-CB 4.4Å; L63-H206 PolarHBondContact O-N 3.28Å; L63-Y208 HydrophobicContact CD2-CD2 3.51Å; L63-Y208 HydrophobicContact CD2-CE2 3.34Å; L63-S288 WeakPolarHBondContact CD1-OG 3.47Å
64	V	85	Confident	79.7	Confident	8 Å²	8	45.5 Å²	45.5	5%	0.048	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.3	171.7	-175.2	0	0	0	0	108.2	P62 P84 L86 S204 V205	P62-V64 PolarHBondContact O-N 3.16Å; V64-P84 HydrophobicContact CG1-CG 3.89Å; V64-L86 HydrophobicContact CG2-CD2 3.43Å; V64-L86 VanDerWaalsContact CG2-CD2 3.43Å; V64-S204 WeakPolarHBondContact CA-O 3.24Å; V64-V205 HydrophobicContact CG1-CG2 4.49Å; V64-V205 HydrophobicContact CG2-CG2 4.33Å
65	S	81.6	Confident	78.6	Confident	52 Å²	52	43.4 Å²	43.4	36%	0.364	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	138.4	161.5	179	0	0	0	0	107.6	S204	S65-S204 PolarHBondContact N-O 2.87Å; S65-S204 PolarHBondContact O-N 3.37Å; S65-S204 PolarHBondContact O-OG 3.38Å
66	Q	76.6	Confident	77.4	Confident	6 Å²	6	49.4 Å²	49.4	3%	0.028	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	160.4	179.4	53.7	-177.2	-29.3	0	0	110.2	L68 P84 N202 L203 Q373 L374	Q66-L68 HydrophobicContact CB-CB 4.36Å; Q66-P84 VanDerWaalsContact OE1-CD 3.27Å; Q66-N202 CarbonylContact C-O 3.57Å; Q66-N202 WeakPolarHBondContact CA-O 3.09Å; Q66-L203 HydrophobicContact CB-CD1 3.9Å; Q66-Q373 HydrophobicContact CG-CB 4.39Å; Q66-Q373 HydrophobicContact CG-CG 4.49Å; Q66-Q373 PolarHBondContact O-NE2 3.28Å; Q66-Q373 PolarHBondContact O-OE1 2.99Å; Q66-L374 PolarHBondContact NE2-O 3.48Å; Q66-L374 VanDerWaalsContact NE2-O 3.12Å
67	S	74.2	Confident	76.3	Confident	30 Å²	30	53 Å²	53	21%	0.21	29%	0.291	C	S	.	.	S	Bend	trans	-117.5	-3.1	152	45.8	0	0	0	0	111.7	S69 D70 W201 N202	S67-S69 PolarHBondContact O-N 3Å; S67-D70 WeakPolarHBondContact O-CB 3.44Å; S67-D70 PolarHBondContact O-N 3.11Å; S67-W201 VanDerWaalsContact OG-CA 3.29Å; S67-W201 WeakPolarHBondContact OG-CA 3.41Å; S67-N202 PolarHBondContact N-O 3.21Å; S67-N202 PolarHBondContact OG-N 3.02Å
68	L	67.4	Low	75.4	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-56.7	-28.4	173.2	-165.3	77.2	0	0	0	113.4	Q66 D70 L71 I82 W201 N202 L203	Q66-L68 HydrophobicContact CB-CB 4.36Å; L68-D70 PolarHBondContact O-N 2.93Å; L68-L71 HydrophobicContact CD1-CD1 3.73Å; L68-L71 WeakPolarHBondContact O-CB 3.17Å; L68-L71 PolarHBondContact O-N 2.85Å; L68-I82 HydrophobicContact CD2-CB 3.86Å; L68-I82 HydrophobicContact CD2-CD1 4Å; L68-I82 HydrophobicContact CD2-CG2 3.63Å; L68-I82 HydrophobicContact CG-CB 4.25Å; L68-I82 HydrophobicContact CG-CD1 4.36Å; L68-W201 HydrophobicContact CB-CE3 4.43Å; L68-W201 HydrophobicContact CD1-CD2 3.56Å; L68-W201 HydrophobicContact CD1-CE3 3.6Å; L68-W201 HydrophobicContact CD1-CG 4.15Å; L68-W201 HydrophobicContact CD1-CH2 4.04Å; L68-W201 HydrophobicContact CD1-CZ2 3.99Å; L68-W201 HydrophobicContact CD1-CZ3 3.85Å; L68-N202 PolarHBondContact N-O 3.38Å; L68-L203 HydrophobicContact CD2-CD2 4.15Å
69	S	61.6	Low	74.5	Confident	15 Å²	15	51.5 Å²	51.5	11%	0.105	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-66.4	-22.4	176	54	0	0	0	0	114.3	S67 L71	S67-S69 PolarHBondContact O-N 3Å; S69-L71 VanDerWaalsContact C-N 3.32Å
70	D	65.9	Low	73.9	Confident	102 Å²	102	46.3 Å²	46.3	55%	0.545	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-87.1	-15.3	-174.6	-51	-18.3	0	0	0	110.3	S67 L68 Q72	S67-D70 WeakPolarHBondContact O-CB 3.44Å; S67-D70 PolarHBondContact O-N 3.11Å; L68-D70 PolarHBondContact O-N 2.93Å; D70-Q72 PolarHBondContact O-N 2.99Å
71	L	64.6	Low	73.6	Confident	11 Å²	11	45.4 Å²	45.4	6%	0.058	25%	0.246	C	C	.	.			trans	-71.7	101.1	166.1	-49.4	179.3	0	0	0	109.4	L68 S69 W201 N493 L497	L68-L71 HydrophobicContact CD1-CD1 3.73Å; L68-L71 WeakPolarHBondContact O-CB 3.17Å; L68-L71 PolarHBondContact O-N 2.85Å; S69-L71 VanDerWaalsContact C-N 3.32Å; L71-W201 HydrophobicContact CD1-CB 4.36Å; L71-W201 HydrophobicContact CD1-CG 3.96Å; L71-N493 HydrophobicContact CD2-CB 3.71Å; L71-L497 HydrophobicContact CB-CB 4.35Å; L71-L497 HydrophobicContact CB-CD2 3.91Å; L71-L497 HydrophobicContact CD1-CB 4.34Å; L71-L497 WeakPolarHBondContact O-CD2 3.49Å
72	Q	67.3	Low	73.5	Confident	86 Å²	86	43.1 Å²	43.1	40%	0.402	23%	0.231	S	C	.	.			trans	-114.9	110.8	175.7	-61.4	-174.4	28.6	0	0	110.4	D70 I74 Y80	D70-Q72 PolarHBondContact O-N 2.99Å; Q72-I74 HydrophobicContact CB-CG1 4.48Å; Q72-I74 PolarHBondContact O-N 3.5Å; Q72-Y80 CarbonylContact C-O 3Å; Q72-Y80 WeakPolarHBondContact CA-O 3.49Å
73	L	65.8	Low	73.4	Confident	25 Å²	25	40.9 Å²	40.9	13%	0.131	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	103.3	172.1	176.6	67.7	0	0	0	109	S79 Y80 F432 A494 L497 L498	L73-S79 WeakPolarHBondContact O-CA 3.45Å; L73-Y80 PolarHBondContact N-O 2.79Å; L73-Y80 PolarHBondContact O-N 3.17Å; L73-F432 HydrophobicContact CD2-CD1 4.38Å; L73-F432 HydrophobicContact CD2-CE1 3.49Å; L73-F432 VanDerWaalsContact CD2-CE1 3.49Å; L73-F432 HydrophobicContact CD2-CZ 3.71Å; L73-A494 HydrophobicContact CD1-CB 4.44Å; L73-L497 HydrophobicContact CB-CD2 3.96Å; L73-L498 HydrophobicContact CD2-CD1 4.2Å
74	I	69.1	Low	73.4	Confident	115 Å²	115	40.8 Å²	40.8	59%	0.59	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	110.6	-179.9	-65.9	176.9	0	0	0	109.3	Q72 L97	Q72-I74 HydrophobicContact CB-CG1 4.48Å; Q72-I74 PolarHBondContact O-N 3.5Å; I74-L97 HydrophobicContact CG2-CD1 3.76Å
75	T	67.1	Low	73.5	Confident	46 Å²	46	40.4 Å²	40.4	28%	0.282	21%	0.214	S	C	.	.			trans	-94.9	169	168.4	71.9	0	0	0	0	110.2	T77 K78 Y80 L97	T75-T77 PolarHBondContact O-N 3.38Å; T75-K78 WeakPolarHBondContact CB-O 3.37Å; T75-K78 PolarHBondContact N-O 3.17Å; T75-K78 PolarHBondContact OG1-N 2.85Å; T75-K78 PolarHBondContact OG1-O 2.89Å; T75-Y80 HydrophobicContact CG2-CD2 4.25Å; T75-Y80 HydrophobicContact CG2-CE2 4.09Å; T75-L97 WeakPolarHBondContact O-CD1 3.42Å
76	K	66.8	Low	73.6	Confident	178 Å²	178	38.7 Å²	38.7	77%	0.774	20%	0.201	S	C	*	.	S	Bend	trans	-53.8	-22.5	179.3	-68.2	-177	-179.9	176.2	0	115.2	I442	K76-I442 VanDerWaalsContact NZ-CD1 3.29Å
77	T	68.8	Low	73.6	Confident	90 Å²	90	41.3 Å²	41.3	55%	0.552	22%	0.215	S	C	*	.	S	Bend	trans	-133.4	-6.3	-173.3	57.7	0	0	0	0	114.4	T75 L97	T75-T77 PolarHBondContact O-N 3.38Å; T77-L97 PolarHBondContact O-N 2.8Å
78	K	74	Confident	73.8	Confident	58 Å²	58	40.1 Å²	40.1	25%	0.252	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	141.8	-174.7	-59.3	176.3	176.1	-167.9	0	112.8	T75 Y80 E94 R95 L97	T75-K78 WeakPolarHBondContact CB-O 3.37Å; T75-K78 PolarHBondContact N-O 3.17Å; T75-K78 PolarHBondContact OG1-N 2.85Å; T75-K78 PolarHBondContact OG1-O 2.89Å; K78-Y80 HydrophobicContact CB-CE2 3.93Å; K78-Y80 HydrophobicContact CD-CE2 4.23Å; K78-Y80 WeakPolarHBondContact CD-OH 3.34Å; K78-Y80 PolarHBondContact NZ-OH 2.79Å; K78-E94 HydrophobicContact CD-CG 3.95Å; K78-E94 WeakPolarHBondContact CE-OE1 3.36Å; K78-E94 HydrophobicContact CG-CG 4.49Å; K78-E94 IonicContact NZ-OE1 2.75Å; K78-E94 PolarHBondContact NZ-OE1 3.41Å; K78-E94 IonicContact NZ-OE2 2.82Å; K78-E94 PolarHBondContact NZ-OE2 2.91Å; K78-R95 CarbonylContact C-O 3.54Å; K78-R95 WeakPolarHBondContact CA-O 3.39Å; K78-R95 WeakPolarHBondContact CB-O 3.36Å; K78-L97 VanDerWaalsContact C-CD1 3.46Å
79	S	73.7	Confident	74.5	Confident	9 Å²	9	41.4 Å²	41.4	6%	0.063	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138	166.2	64.7	0	0	0	0	110.5	L73 R95	L73-S79 WeakPolarHBondContact O-CA 3.45Å; S79-R95 PolarHBondContact N-O 2.67Å; S79-R95 PolarHBondContact O-N 2.99Å
80	Y	78.4	Confident	75.4	Confident	12 Å²	12	40.7 Å²	40.7	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.2	176.9	-67.4	-79.8	0	0	0	111.1	Q72 L73 T75 K78 L92 M93 E94	Q72-Y80 CarbonylContact C-O 3Å; Q72-Y80 WeakPolarHBondContact CA-O 3.49Å; L73-Y80 PolarHBondContact N-O 2.79Å; L73-Y80 PolarHBondContact O-N 3.17Å; T75-Y80 HydrophobicContact CG2-CD2 4.25Å; T75-Y80 HydrophobicContact CG2-CE2 4.09Å; K78-Y80 HydrophobicContact CB-CE2 3.93Å; K78-Y80 HydrophobicContact CD-CE2 4.23Å; K78-Y80 WeakPolarHBondContact CD-OH 3.34Å; K78-Y80 PolarHBondContact NZ-OH 2.79Å; Y80-L92 HydrophobicContact CD1-CD1 4.04Å; Y80-L92 HydrophobicContact CD1-CD2 4.04Å; Y80-L92 HydrophobicContact CD1-CG 4.09Å; Y80-L92 HydrophobicContact CE1-CD2 4.4Å; Y80-M93 WeakPolarHBondContact CA-O 3.4Å; Y80-E94 HydrophobicContact CD1-CB 4.04Å; Y80-E94 HydrophobicContact CD1-CG 4.27Å; Y80-E94 HydrophobicContact CE1-CB 3.7Å; Y80-E94 HydrophobicContact CE1-CG 3.6Å; Y80-E94 VanDerWaalsContact CE1-OE2 3.22Å; Y80-E94 WeakPolarHBondContact CE1-OE2 3.43Å; Y80-E94 PolarHBondContact OH-OE2 3.08Å
81	S	78.2	Confident	76.3	Confident	9 Å²	9	35.9 Å²	35.9	6%	0.063	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	157.2	172.2	71	0	0	0	0	111.1	M93	S81-M93 PolarHBondContact N-O 3.3Å; S81-M93 VanDerWaalsContact N-O 3.12Å; S81-M93 PolarHBondContact O-N 3.32Å; S81-M93 WeakPolarHBondContact OG-CE 3.23Å
82	I	82.8	Confident	77.1	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	146.1	177.3	-62.8	175.3	0	0	0	110.5	L68 L90 F91 L112 L497 L500	L68-I82 HydrophobicContact CD2-CB 3.86Å; L68-I82 HydrophobicContact CD2-CD1 4Å; L68-I82 HydrophobicContact CD2-CG2 3.63Å; L68-I82 HydrophobicContact CG-CB 4.25Å; L68-I82 HydrophobicContact CG-CD1 4.36Å; I82-L90 HydrophobicContact CG2-CB 4.29Å; I82-L90 HydrophobicContact CG2-CD2 4.31Å; I82-F91 CarbonylContact C-O 3.46Å; I82-F91 WeakPolarHBondContact CA-O 3.43Å; I82-L112 HydrophobicContact CD1-CD1 4.12Å; I82-L112 HydrophobicContact CG1-CD1 4.1Å; I82-L497 HydrophobicContact CD1-CD1 3.52Å; I82-L497 HydrophobicContact CG1-CD1 3.89Å; I82-L500 HydrophobicContact CD1-CD2 3.78Å
83	V	85.8	Confident	77.9	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	114.3	174.1	-179.7	0	0	0	0	107.9	F91 M93 L109 L367 L374 V376	V83-F91 PolarHBondContact N-O 2.86Å; V83-F91 WeakPolarHBondContact O-CB 3.36Å; V83-F91 PolarHBondContact O-N 2.77Å; V83-M93 HydrophobicContact CG2-CB 4.03Å; V83-M93 HydrophobicContact CG2-CE 3.99Å; V83-L109 HydrophobicContact CB-CD2 4Å; V83-L109 HydrophobicContact CG2-CD2 4Å; V83-L367 HydrophobicContact CG1-CD1 4.21Å; V83-L374 HydrophobicContact CG1-CB 3.96Å; V83-L374 HydrophobicContact CG2-CB 4.14Å; V83-V376 HydrophobicContact CG1-CG2 4.04Å
84	P	87.2	Confident	78.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	158.3	176	33.6	-35.9	0	0	0	111.4	V64 Q66 L90 L203 Y375 V376	V64-P84 HydrophobicContact CG1-CG 3.89Å; Q66-P84 VanDerWaalsContact OE1-CD 3.27Å; P84-L90 HydrophobicContact CB-CD2 3.98Å; P84-L203 HydrophobicContact CB-CD1 3.93Å; P84-L203 HydrophobicContact CB-CD2 4.43Å; P84-L203 HydrophobicContact CG-CD1 3.86Å; P84-Y375 CarbonylContact O-C 3.53Å; P84-Y375 VanDerWaalsContact O-CA 3.26Å; P84-Y375 WeakPolarHBondContact O-CA 3.48Å; P84-V376 PolarHBondContact O-N 3.49Å
85	S	85.9	Confident	79	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-104.2	161.6	165.6	46	0	0	0	0	113.2	D87 G88 Q89 V376	S85-D87 VanDerWaalsContact CB-OD1 3.26Å; S85-D87 WeakPolarHBondContact CB-OD1 3.35Å; S85-D87 PolarHBondContact O-N 2.89Å; S85-D87 PolarHBondContact OG-OD1 3.18Å; S85-G88 PolarHBondContact O-N 3.24Å; S85-Q89 PolarHBondContact N-O 2.92Å; S85-Q89 WeakPolarHBondContact OG-CA 3.25Å; S85-Q89 VanDerWaalsContact OG-CB 3.29Å; S85-Q89 WeakPolarHBondContact OG-CB 3.36Å; S85-Q89 PolarHBondContact OG-N 3.32Å; S85-Q89 PolarHBondContact OG-O 3.35Å; S85-V376 CarbonylContact C-O 3.54Å; S85-V376 WeakPolarHBondContact CA-O 3.41Å; S85-V376 WeakPolarHBondContact CB-O 3.46Å
86	L	85	Confident	79.1	Confident	17 Å²	17	33 Å²	33	9%	0.089	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.2	176.2	-54	-175.7	0	0	0	112.6	V40 L63 V64 G88 V205 Q207 S288 Y375 V376 Q377	V40-L86 HydrophobicContact CG2-CD1 4.16Å; L63-L86 HydrophobicContact CB-CD2 4.45Å; V64-L86 HydrophobicContact CG2-CD2 3.43Å; V64-L86 VanDerWaalsContact CG2-CD2 3.43Å; L86-G88 VanDerWaalsContact C-N 3.3Å; L86-V205 WeakPolarHBondContact O-CG1 3.23Å; L86-Q207 WeakPolarHBondContact O-CG 3.49Å; L86-Q207 PolarHBondContact O-NE2 2.85Å; L86-S288 WeakPolarHBondContact CD1-OG 3.48Å; L86-Y375 HydrophobicContact CD1-CD2 4.24Å; L86-Y375 HydrophobicContact CD1-CE2 4.02Å; L86-Y375 HydrophobicContact CD2-CD2 3.7Å; L86-Y375 HydrophobicContact CD2-CE2 4.15Å; L86-Y375 HydrophobicContact CD2-CG 4.31Å; L86-Y375 HydrophobicContact CG-CD2 3.9Å; L86-Y375 HydrophobicContact CG-CE2 4.2Å; L86-V376 PolarHBondContact N-O 2.77Å; L86-Q377 HydrophobicContact CD1-CB 3.97Å; L86-Q377 HydrophobicContact CD1-CG 3.86Å; L86-Q377 HydrophobicContact CG-CB 4.43Å
87	D	76.8	Confident	79	Confident	61 Å²	61	27.7 Å²	27.7	33%	0.326	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11.2	172.6	61.3	23.8	0	0	0	113.8	S85 Q89 Q207 T378	S85-D87 VanDerWaalsContact CB-OD1 3.26Å; S85-D87 WeakPolarHBondContact CB-OD1 3.35Å; S85-D87 PolarHBondContact O-N 2.89Å; S85-D87 PolarHBondContact OG-OD1 3.18Å; D87-Q89 PolarHBondContact OD1-N 2.59Å; D87-Q89 VanDerWaalsContact OD1-N 3.09Å; D87-Q207 VanDerWaalsContact CA-NE2 3.31Å; D87-Q207 PolarHBondContact O-NE2 3Å; D87-T378 WeakPolarHBondContact OD2-CB 3.22Å; D87-T378 WeakPolarHBondContact OD2-CG2 3.4Å; D87-T378 PolarHBondContact OD2-OG1 3.37Å
88	G	78.6	Confident	78.5	Confident	5 Å²	5	26.8 Å²	26.8	5%	0.052	13%	0.132	C	C	.	.	S	Bend	trans	94	7.6	177.2	0	0	0	0	0	115.8	S85 L86 S115 I116	S85-G88 PolarHBondContact O-N 3.24Å; L86-G88 VanDerWaalsContact C-N 3.3Å; G88-S115 CarbonylContact O-C 3.51Å; G88-S115 WeakPolarHBondContact O-CA 3.47Å; G88-S115 WeakPolarHBondContact O-CB 3.33Å; G88-I116 WeakPolarHBondContact O-CG1 3.45Å; G88-I116 PolarHBondContact O-N 3.22Å
89	Q	80.8	Confident	77.4	Confident	27 Å²	27	28.4 Å²	28.4	13%	0.126	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	154.6	164.8	-163.9	66	36.7	0	0	111	S85 D87 F91 L112 L114 N386	S85-Q89 PolarHBondContact N-O 2.92Å; S85-Q89 WeakPolarHBondContact OG-CA 3.25Å; S85-Q89 VanDerWaalsContact OG-CB 3.29Å; S85-Q89 WeakPolarHBondContact OG-CB 3.36Å; S85-Q89 PolarHBondContact OG-N 3.32Å; S85-Q89 PolarHBondContact OG-O 3.35Å; D87-Q89 PolarHBondContact OD1-N 2.59Å; D87-Q89 VanDerWaalsContact OD1-N 3.09Å; Q89-F91 HydrophobicContact CB-CE2 4.06Å; Q89-F91 HydrophobicContact CG-CE2 4.12Å; Q89-F91 HydrophobicContact CG-CZ 4.28Å; Q89-L112 PolarHBondContact NE2-O 3.33Å; Q89-L114 PolarHBondContact NE2-O 3.43Å; Q89-N386 PolarHBondContact OE1-ND2 2.99Å
90	L	81.7	Confident	76.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.4	170.9	-56.4	-179	0	0	0	111.2	I82 P84 L112 L114 I116 L119 L203	I82-L90 HydrophobicContact CG2-CB 4.29Å; I82-L90 HydrophobicContact CG2-CD2 4.31Å; P84-L90 HydrophobicContact CB-CD2 3.98Å; L90-L112 HydrophobicContact CB-CB 4.24Å; L90-L112 HydrophobicContact CB-CD1 4.2Å; L90-L112 WeakPolarHBondContact O-CB 3.08Å; L90-L112 PolarHBondContact O-N 2.86Å; L90-L114 WeakPolarHBondContact CB-O 3.23Å; L90-L114 HydrophobicContact CD1-CB 3.99Å; L90-L114 PolarHBondContact N-O 3.01Å; L90-L114 VanDerWaalsContact N-O 3.13Å; L90-I116 HydrophobicContact CD2-CG1 4.01Å; L90-L119 HydrophobicContact CD1-CD1 3.84Å; L90-L203 HydrophobicContact CD2-CD2 3.73Å
91	F	83.1	Confident	74.6	Confident	1 Å²	1	38.2 Å²	38.2	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.9	174.1	-62.9	-97.4	0	0	0	110.6	I82 V83 Q89 L109 K110 A111 V376 P387 I390	I82-F91 CarbonylContact C-O 3.46Å; I82-F91 WeakPolarHBondContact CA-O 3.43Å; V83-F91 PolarHBondContact N-O 2.86Å; V83-F91 WeakPolarHBondContact O-CB 3.36Å; V83-F91 PolarHBondContact O-N 2.77Å; Q89-F91 HydrophobicContact CB-CE2 4.06Å; Q89-F91 HydrophobicContact CG-CE2 4.12Å; Q89-F91 HydrophobicContact CG-CZ 4.28Å; F91-L109 HydrophobicContact CB-CD2 3.68Å; F91-K110 CarbonylContact C-O 3.35Å; F91-K110 VanDerWaalsContact CA-O 3.3Å; F91-K110 WeakPolarHBondContact CA-O 3.05Å; F91-A111 HydrophobicContact CD1-CB 4.07Å; F91-A111 HydrophobicContact CE1-CB 3.91Å; F91-V376 HydrophobicContact CD2-CB 4.26Å; F91-V376 HydrophobicContact CD2-CG2 4.12Å; F91-V376 HydrophobicContact CE2-CB 4.15Å; F91-V376 HydrophobicContact CE2-CG1 4.04Å; F91-V376 HydrophobicContact CE2-CG2 4.4Å; F91-V376 HydrophobicContact CZ-CG1 4.35Å; F91-P387 HydrophobicContact CE1-CG 4.37Å; F91-P387 HydrophobicContact CZ-CG 4.46Å; F91-I390 HydrophobicContact CD1-CD1 3.82Å; F91-I390 HydrophobicContact CE1-CD1 3.58Å; F91-I390 HydrophobicContact CZ-CD1 4.42Å
92	L	83.1	Confident	73.2	Confident	17 Å²	17	42.1 Å²	42.1	9%	0.089	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117	169.5	-179.6	62.3	0	0	0	108.9	Y80 L109 K110 L112 L501	Y80-L92 HydrophobicContact CD1-CD1 4.04Å; Y80-L92 HydrophobicContact CD1-CD2 4.04Å; Y80-L92 HydrophobicContact CD1-CG 4.09Å; Y80-L92 HydrophobicContact CE1-CD2 4.4Å; L92-L109 WeakPolarHBondContact O-CA 3.09Å; L92-K110 PolarHBondContact N-O 3.06Å; L92-K110 PolarHBondContact O-N 3.48Å; L92-L112 HydrophobicContact CB-CD1 4.28Å; L92-L112 HydrophobicContact CB-CD2 3.9Å; L92-L112 HydrophobicContact CB-CG 3.93Å; L92-L112 HydrophobicContact CD2-CD2 4.47Å; L92-L501 HydrophobicContact CD1-CD1 4.15Å; L92-L501 HydrophobicContact CD1-CD2 3.99Å; L92-L501 HydrophobicContact CD2-CD2 4.29Å
93	M	82.7	Confident	71.6	Confident	3 Å²	3	47 Å²	47	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	114.2	169.3	-176.7	171.9	45.4	0	0	109.4	Y80 S81 V83 R95 S108 L109 L374 L411	Y80-M93 WeakPolarHBondContact CA-O 3.4Å; S81-M93 PolarHBondContact N-O 3.3Å; S81-M93 VanDerWaalsContact N-O 3.12Å; S81-M93 PolarHBondContact O-N 3.32Å; S81-M93 WeakPolarHBondContact OG-CE 3.23Å; V83-M93 HydrophobicContact CG2-CB 4.03Å; V83-M93 HydrophobicContact CG2-CE 3.99Å; M93-R95 VanDerWaalsContact CE-CZ 3.49Å; M93-R95 HydrophobicContact CG-CG 4.09Å; M93-R95 HydrophobicContact SD-CG 4.32Å; M93-R95 PolarHBondContact SD-NE 3.13Å; M93-R95 VanDerWaalsContact SD-NE 3.4Å; M93-S108 CarbonylContact C-O 3.58Å; M93-S108 WeakPolarHBondContact CA-O 3.15Å; M93-L109 HydrophobicContact CB-CD2 3.74Å; M93-L109 HydrophobicContact CB-CG 4.43Å; M93-L109 HydrophobicContact CG-CD2 4.4Å; M93-L374 HydrophobicContact CE-CD1 3.76Å; M93-L374 HydrophobicContact SD-CD1 3.86Å; M93-L411 HydrophobicContact SD-CD1 3.99Å
94	E	81.5	Confident	69.9	Low	39 Å²	39	50.2 Å²	50.2	18%	0.182	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	136.4	163.6	-178.4	174.7	122.2	0	0	108.8	K78 Y80 A107 S108	K78-E94 HydrophobicContact CD-CG 3.95Å; K78-E94 WeakPolarHBondContact CE-OE1 3.36Å; K78-E94 HydrophobicContact CG-CG 4.49Å; K78-E94 IonicContact NZ-OE1 2.75Å; K78-E94 PolarHBondContact NZ-OE1 3.41Å; K78-E94 IonicContact NZ-OE2 2.82Å; K78-E94 PolarHBondContact NZ-OE2 2.91Å; Y80-E94 HydrophobicContact CD1-CB 4.04Å; Y80-E94 HydrophobicContact CD1-CG 4.27Å; Y80-E94 HydrophobicContact CE1-CB 3.7Å; Y80-E94 HydrophobicContact CE1-CG 3.6Å; Y80-E94 VanDerWaalsContact CE1-OE2 3.22Å; Y80-E94 WeakPolarHBondContact CE1-OE2 3.43Å; Y80-E94 PolarHBondContact OH-OE2 3.08Å; E94-A107 CarbonylContact O-C 3.59Å; E94-A107 VanDerWaalsContact O-CA 3.29Å; E94-A107 WeakPolarHBondContact O-CA 3.33Å; E94-S108 PolarHBondContact N-O 3.18Å; E94-S108 PolarHBondContact O-N 3.32Å
95	R	76.6	Confident	68.3	Low	70 Å²	70	59.7 Å²	59.7	26%	0.264	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.2	165.9	-50.7	171.1	174	159.8	-9.1	109	K78 S79 M93 L411	K78-R95 CarbonylContact C-O 3.54Å; K78-R95 WeakPolarHBondContact CA-O 3.39Å; K78-R95 WeakPolarHBondContact CB-O 3.36Å; S79-R95 PolarHBondContact N-O 2.67Å; S79-R95 PolarHBondContact O-N 2.99Å; M93-R95 VanDerWaalsContact CE-CZ 3.49Å; M93-R95 HydrophobicContact CG-CG 4.09Å; M93-R95 HydrophobicContact SD-CG 4.32Å; M93-R95 PolarHBondContact SD-NE 3.13Å; M93-R95 VanDerWaalsContact SD-NE 3.4Å; R95-L411 VanDerWaalsContact NH2-CD1 3.29Å
96	K	70.3	Confident	66.9	Low	93 Å²	93	60.2 Å²	60.2	40%	0.404	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	136.2	174.8	-67.4	-179.3	-168.6	171.2	0	111.3
97	L	65.2	Low	66.3	Low	68 Å²	68	59.7 Å²	59.7	36%	0.356	33%	0.328	S	S	.	.			trans	-100.5	56.6	172.3	-61.7	170.6	0	0	0	109.4	I74 T75 T77 K78	I74-L97 HydrophobicContact CG2-CD1 3.76Å; T75-L97 WeakPolarHBondContact O-CD1 3.42Å; T77-L97 PolarHBondContact O-N 2.8Å; K78-L97 VanDerWaalsContact C-CD1 3.46Å
98	T	56.7	Low	66.3	Low	70 Å²	70	58.2 Å²	58.2	43%	0.429	32%	0.323	S	S	.	.			trans	-84	141.9	167.6	41.6	0	0	0	0	109.2	D100	T98-D100 PolarHBondContact O-N 3.18Å; T98-D100 VanDerWaalsContact O-N 3.16Å
99	G	51.3	Low	66.4	Low	92 Å²	92	58 Å²	58	95%	0.948	32%	0.321	S	S	*	.	S	Bend	trans	-68.3	-7.4	-178.9	0	0	0	0	0	115.4
100	D	45.6	Very low	66.4	Low	120 Å²	120	60.6 Å²	60.6	64%	0.642	33%	0.332	S	S	*	.	S	Bend	trans	-67.7	141.7	168.3	-65.7	-52.3	0	0	0	111	T98 D102	T98-D100 PolarHBondContact O-N 3.18Å; T98-D100 VanDerWaalsContact O-N 3.16Å; D100-D102 PolarHBondContact O-N 2.99Å
101	S	46.9	Very low	66.1	Low	107 Å²	107	61.1 Å²	61.1	75%	0.748	34%	0.336	S	S	*	.	S	Bend	trans	-62	-7.6	-179.9	49.3	0	0	0	0	115.3	L103	S101-L103 VanDerWaalsContact C-N 3.25Å; S101-L103 PolarHBondContact O-N 3.22Å
102	D	49.3	Very low	65.7	Low	91 Å²	91	61.7 Å²	61.7	49%	0.487	34%	0.339	S	S	.	.			trans	-83.3	45.4	-175.5	-104.4	24.7	0	0	0	113.3	D100 L104 R105	D100-D102 PolarHBondContact O-N 2.99Å; D102-L104 PolarHBondContact O-N 3.24Å; D102-R105 HydrophobicContact CB-CB 4.3Å; D102-R105 WeakPolarHBondContact O-CB 3.32Å; D102-R105 PolarHBondContact O-N 3.39Å; D102-R105 WeakPolarHBondContact OD2-CD 3.37Å
103	L	49.5	Very low	65	Low	104 Å²	104	62.2 Å²	62.2	55%	0.545	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-48.5	-29.4	-178.6	-81.8	163.6	0	0	0	114.7	S101	S101-L103 VanDerWaalsContact C-N 3.25Å; S101-L103 PolarHBondContact O-N 3.22Å
104	L	51.1	Low	64.3	Low	70 Å²	70	62.1 Å²	62.1	37%	0.366	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-70.4	-29.6	177	-75.5	175.5	0	0	0	113.9	D102 G106 A107 F409 L411	D102-L104 PolarHBondContact O-N 3.24Å; L104-G106 PolarHBondContact O-N 3.17Å; L104-A107 PolarHBondContact O-N 3.31Å; L104-F409 HydrophobicContact CD1-CB 3.97Å; L104-F409 HydrophobicContact CD1-CD1 3.96Å; L104-F409 HydrophobicContact CD1-CG 4.13Å; L104-F409 HydrophobicContact CG-CB 4.39Å; L104-L411 HydrophobicContact CD2-CD2 3.49Å; L104-L411 VanDerWaalsContact CD2-CD2 3.49Å; L104-L411 HydrophobicContact CD2-CG 4.16Å
105	R	52	Low	63.9	Low	198 Å²	198	61.5 Å²	61.5	75%	0.747	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-74	0.4	-167.3	-137.4	176.9	-168.9	-162.7	3.7	114.3	D102	D102-R105 HydrophobicContact CB-CB 4.3Å; D102-R105 WeakPolarHBondContact O-CB 3.32Å; D102-R105 PolarHBondContact O-N 3.39Å; D102-R105 WeakPolarHBondContact OD2-CD 3.37Å
106	G	58	Low	63.7	Low	12 Å²	12	58.1 Å²	58.1	12%	0.124	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-128	14.6	175.9	0	0	0	0	0	114.8	L104	L104-G106 PolarHBondContact O-N 3.17Å
107	A	71.1	Confident	63.6	Low	5 Å²	5	57 Å²	57	4%	0.041	33%	0.329	C	S	.	.			trans	-84.5	137.6	-179.9	0	0	0	0	0	112.4	E94 L104 L392	E94-A107 CarbonylContact O-C 3.59Å; E94-A107 VanDerWaalsContact O-CA 3.29Å; E94-A107 WeakPolarHBondContact O-CA 3.33Å; L104-A107 PolarHBondContact O-N 3.31Å; A107-L392 HydrophobicContact CB-CB 4.12Å; A107-L392 HydrophobicContact CB-CD1 3.87Å; A107-L392 WeakPolarHBondContact O-CB 3.38Å
108	S	77.9	Confident	63.8	Low	31 Å²	31	54.3 Å²	54.3	22%	0.217	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	144.1	171.9	61.3	0	0	0	0	111.5	M93 E94	M93-S108 CarbonylContact C-O 3.58Å; M93-S108 WeakPolarHBondContact CA-O 3.15Å; E94-S108 PolarHBondContact N-O 3.18Å; E94-S108 PolarHBondContact O-N 3.32Å
109	L	80.6	Confident	64.3	Low	0 Å²	0	51 Å²	51	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.2	170.5	-83.8	162.5	0	0	0	107.9	V83 F91 L92 M93 L367 V376 I390 L392	V83-L109 HydrophobicContact CB-CD2 4Å; V83-L109 HydrophobicContact CG2-CD2 4Å; F91-L109 HydrophobicContact CB-CD2 3.68Å; L92-L109 WeakPolarHBondContact O-CA 3.09Å; M93-L109 HydrophobicContact CB-CD2 3.74Å; M93-L109 HydrophobicContact CB-CG 4.43Å; M93-L109 HydrophobicContact CG-CD2 4.4Å; L109-L367 HydrophobicContact CD1-CD1 4Å; L109-L367 HydrophobicContact CD1-CD2 3.98Å; L109-V376 HydrophobicContact CD1-CG2 4.19Å; L109-I390 HydrophobicContact CB-CB 3.88Å; L109-I390 HydrophobicContact CB-CD1 4.05Å; L109-I390 HydrophobicContact CB-CG2 4.19Å; L109-I390 PolarHBondContact N-O 3.12Å; L109-I390 PolarHBondContact O-N 2.83Å; L109-L392 HydrophobicContact CD1-CD1 4.2Å; L109-L392 HydrophobicContact CD1-CD2 4.18Å; L109-L392 HydrophobicContact CG-CD1 4.13Å
110	K	80	Confident	65.1	Low	82 Å²	82	48.8 Å²	48.8	36%	0.357	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.1	172.3	-172	-168.9	172.4	-174.6	0	108.4	F91 L92 L112 E388	F91-K110 CarbonylContact C-O 3.35Å; F91-K110 VanDerWaalsContact CA-O 3.3Å; F91-K110 WeakPolarHBondContact CA-O 3.05Å; L92-K110 PolarHBondContact N-O 3.06Å; L92-K110 PolarHBondContact O-N 3.48Å; K110-L112 PolarHBondContact O-N 2.8Å; K110-E388 WeakPolarHBondContact CA-O 2.95Å; K110-E388 VanDerWaalsContact CG-O 3.31Å; K110-E388 WeakPolarHBondContact CG-O 3.21Å
111	A	76.6	Confident	65.9	Low	11 Å²	11	44.9 Å²	44.9	9%	0.091	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	128.4	170.5	0	0	0	0	0	109.3	F91 P387 E388	F91-A111 HydrophobicContact CD1-CB 4.07Å; F91-A111 HydrophobicContact CE1-CB 3.91Å; A111-P387 WeakPolarHBondContact CB-O 3.42Å; A111-E388 PolarHBondContact N-O 3.23Å
112	L	74.6	Confident	66.4	Low	12 Å²	12	40.8 Å²	40.8	6%	0.063	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	141.5	162.7	-70.4	172.4	0	0	0	107.4	I82 Q89 L90 L92 K110 L114 L501	I82-L112 HydrophobicContact CD1-CD1 4.12Å; I82-L112 HydrophobicContact CG1-CD1 4.1Å; Q89-L112 PolarHBondContact NE2-O 3.33Å; L90-L112 HydrophobicContact CB-CB 4.24Å; L90-L112 HydrophobicContact CB-CD1 4.2Å; L90-L112 WeakPolarHBondContact O-CB 3.08Å; L90-L112 PolarHBondContact O-N 2.86Å; L92-L112 HydrophobicContact CB-CD1 4.28Å; L92-L112 HydrophobicContact CB-CD2 3.9Å; L92-L112 HydrophobicContact CB-CG 3.93Å; L92-L112 HydrophobicContact CD2-CD2 4.47Å; K110-L112 PolarHBondContact O-N 2.8Å; L112-L114 HydrophobicContact CB-CB 4.35Å; L112-L114 PolarHBondContact O-N 3.31Å; L112-L501 HydrophobicContact CD1-CD2 3.86Å; L112-L501 HydrophobicContact CD2-CD2 3.66Å; L112-L501 HydrophobicContact CG-CD2 4.42Å
113	P	67.2	Low	66.7	Low	28 Å²	28	44.4 Å²	44.4	18%	0.182	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	43.9	171.1	36	-39.6	0	0	0	111.5	Y428 A508	P113-Y428 HydrophobicContact CG-CE1 3.82Å; P113-Y428 HydrophobicContact CG-CE2 4.33Å; P113-A508 HydrophobicContact CB-CB 3.4Å; P113-A508 VanDerWaalsContact CB-CB 3.4Å; P113-A508 HydrophobicContact CG-CB 3.41Å; P113-A508 VanDerWaalsContact CG-CB 3.41Å
114	L	67.9	Low	67.1	Low	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.5	174.7	-71.7	177.2	0	0	0	107	Q89 L90 L112 L119 L500 A504 I507	Q89-L114 PolarHBondContact NE2-O 3.43Å; L90-L114 WeakPolarHBondContact CB-O 3.23Å; L90-L114 HydrophobicContact CD1-CB 3.99Å; L90-L114 PolarHBondContact N-O 3.01Å; L90-L114 VanDerWaalsContact N-O 3.13Å; L112-L114 HydrophobicContact CB-CB 4.35Å; L112-L114 PolarHBondContact O-N 3.31Å; L114-L119 HydrophobicContact CD1-CD2 4.33Å; L114-L119 HydrophobicContact CD2-CD2 4.4Å; L114-L500 HydrophobicContact CD1-CD2 3.57Å; L114-L500 HydrophobicContact CD1-CG 4.32Å; L114-A504 HydrophobicContact CD1-CB 3.57Å; L114-A504 HydrophobicContact CG-CB 3.81Å; L114-I507 HydrophobicContact CD2-CB 3.62Å; L114-I507 HydrophobicContact CD2-CD1 3.89Å; L114-I507 HydrophobicContact CD2-CG1 4.36Å; L114-I507 HydrophobicContact CD2-CG2 3.38Å
115	S	72.9	Confident	67.3	Low	26 Å²	26	45 Å²	45	18%	0.182	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	170	155.6	74.8	0	0	0	0	109.8	G88 D117 S118 L119	G88-S115 CarbonylContact O-C 3.51Å; G88-S115 WeakPolarHBondContact O-CA 3.47Å; G88-S115 WeakPolarHBondContact O-CB 3.33Å; S115-D117 PolarHBondContact O-N 2.97Å; S115-D117 PolarHBondContact OG-N 3.49Å; S115-S118 PolarHBondContact N-OG 3.13Å; S115-S118 VanDerWaalsContact N-OG 3.12Å; S115-S118 WeakPolarHBondContact O-CA 3.46Å; S115-S118 VanDerWaalsContact O-CB 3.3Å; S115-S118 WeakPolarHBondContact O-CB 3.43Å; S115-S118 PolarHBondContact O-N 3.31Å; S115-S118 PolarHBondContact OG-N 3.26Å; S115-S118 VanDerWaalsContact OG-N 3.09Å; S115-S118 PolarHBondContact OG-OG 3.14Å; S115-L119 PolarHBondContact O-N 2.88Å; S115-L119 VanDerWaalsContact O-N 3.1Å
116	I	73.3	Confident	67.7	Low	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-33	171.6	-65.2	173.9	0	0	0	110.7	G88 L90 L119 F120 N187 V189 L203 V205	G88-I116 WeakPolarHBondContact O-CG1 3.45Å; G88-I116 PolarHBondContact O-N 3.22Å; L90-I116 HydrophobicContact CD2-CG1 4.01Å; I116-L119 PolarHBondContact O-N 2.75Å; I116-F120 HydrophobicContact CG2-CD2 4.47Å; I116-F120 HydrophobicContact CG2-CE1 4.38Å; I116-F120 HydrophobicContact CG2-CE2 3.64Å; I116-F120 HydrophobicContact CG2-CZ 3.55Å; I116-F120 WeakPolarHBondContact O-CD2 3.21Å; I116-F120 PolarHBondContact O-N 2.99Å; I116-F120 VanDerWaalsContact O-N 3.11Å; I116-N187 HydrophobicContact CG2-CB 3.8Å; I116-V189 HydrophobicContact CG2-CG2 3.83Å; I116-L203 HydrophobicContact CD1-CD1 4.45Å; I116-L203 HydrophobicContact CD1-CD2 3.73Å; I116-L203 HydrophobicContact CD1-CG 4.02Å; I116-L203 HydrophobicContact CG1-CD2 3.81Å; I116-V205 HydrophobicContact CD1-CB 3.79Å; I116-V205 HydrophobicContact CD1-CG2 3.31Å
117	D	68.6	Low	67.8	Low	69 Å²	69	36.9 Å²	36.9	37%	0.369	20%	0.2	S	C	.	.	H	α-helix	trans	-66.3	-34.3	170.5	-75.3	-44.8	0	0	0	112.1	S115 L119 F120 S121 R136	S115-D117 PolarHBondContact O-N 2.97Å; S115-D117 PolarHBondContact OG-N 3.49Å; D117-L119 VanDerWaalsContact C-N 3.29Å; D117-L119 PolarHBondContact O-N 2.9Å; D117-F120 PolarHBondContact O-N 3.21Å; D117-S121 PolarHBondContact O-N 3.08Å; D117-S121 VanDerWaalsContact O-N 3.11Å; D117-S121 PolarHBondContact O-OG 3.18Å; D117-R136 IonicContact OD1-CZ 3.57Å; D117-R136 IonicContact OD1-NH1 2.71Å; D117-R136 PolarHBondContact OD1-NH1 2.94Å; D117-R136 IonicContact OD2-NH1 2.87Å; D117-R136 PolarHBondContact OD2-NH1 2.85Å
118	S	68.5	Low	67.4	Low	11 Å²	11	44.9 Å²	44.9	8%	0.077	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-28.1	171.7	-46.7	0	0	0	0	113.4	S115 S121	S115-S118 PolarHBondContact N-OG 3.13Å; S115-S118 VanDerWaalsContact N-OG 3.12Å; S115-S118 WeakPolarHBondContact O-CA 3.46Å; S115-S118 VanDerWaalsContact O-CB 3.3Å; S115-S118 WeakPolarHBondContact O-CB 3.43Å; S115-S118 PolarHBondContact O-N 3.31Å; S115-S118 PolarHBondContact OG-N 3.26Å; S115-S118 VanDerWaalsContact OG-N 3.09Å; S115-S118 PolarHBondContact OG-OG 3.14Å; S118-S121 WeakPolarHBondContact CA-OG 3.32Å; S118-S121 PolarHBondContact O-OG 2.83Å; S118-S121 VanDerWaalsContact O-OG 3.04Å
119	L	68.4	Low	66.9	Low	2 Å²	2	47.9 Å²	47.9	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-73.7	-37.8	172.3	-68.7	179.2	0	0	0	111	L90 L114 S115 I116 D117 S122 L132 V189 L500	L90-L119 HydrophobicContact CD1-CD1 3.84Å; L114-L119 HydrophobicContact CD1-CD2 4.33Å; L114-L119 HydrophobicContact CD2-CD2 4.4Å; S115-L119 PolarHBondContact O-N 2.88Å; S115-L119 VanDerWaalsContact O-N 3.1Å; I116-L119 PolarHBondContact O-N 2.75Å; D117-L119 VanDerWaalsContact C-N 3.29Å; D117-L119 PolarHBondContact O-N 2.9Å; L119-S122 PolarHBondContact O-N 3.42Å; L119-S122 PolarHBondContact O-OG 3.24Å; L119-L132 HydrophobicContact CB-CD2 4.29Å; L119-L132 WeakPolarHBondContact O-CD2 3.46Å; L119-V189 HydrophobicContact CB-CG1 4.45Å; L119-V189 HydrophobicContact CB-CG2 4.07Å; L119-V189 HydrophobicContact CD1-CG1 4.34Å; L119-V189 HydrophobicContact CD1-CG2 4.31Å; L119-L500 HydrophobicContact CD2-CD1 4.33Å
120	F	67.6	Low	66.2	Low	44 Å²	44	47.9 Å²	47.9	19%	0.193	25%	0.25	C	S	.	.	H	α-helix	trans	-67.2	-36	176.1	-62.6	-41	0	0	0	114.2	I116 D117 S122 R136 N187 V188 V189	I116-F120 HydrophobicContact CG2-CD2 4.47Å; I116-F120 HydrophobicContact CG2-CE1 4.38Å; I116-F120 HydrophobicContact CG2-CE2 3.64Å; I116-F120 HydrophobicContact CG2-CZ 3.55Å; I116-F120 WeakPolarHBondContact O-CD2 3.21Å; I116-F120 PolarHBondContact O-N 2.99Å; I116-F120 VanDerWaalsContact O-N 3.11Å; D117-F120 PolarHBondContact O-N 3.21Å; F120-S122 PolarHBondContact O-N 3.02Å; F120-R136 HydrophobicContact CE2-CB 4.38Å; F120-N187 HydrophobicContact CE2-CB 3.62Å; F120-N187 HydrophobicContact CZ-CB 3.68Å; F120-V188 WeakPolarHBondContact CE1-O 3.39Å; F120-V189 HydrophobicContact CD1-CG2 3.92Å; F120-V189 HydrophobicContact CE1-CB 4.31Å; F120-V189 HydrophobicContact CE1-CG2 3.29Å; F120-V189 HydrophobicContact CZ-CG2 3.8Å
121	S	61.7	Low	65.8	Low	38 Å²	38	48.1 Å²	48.1	27%	0.266	26%	0.255	S	S	.	.	H	α-helix	trans	-68.6	-23.9	175.9	48.9	0	0	0	0	112.5	D117 S118 N123 H511	D117-S121 PolarHBondContact O-N 3.08Å; D117-S121 VanDerWaalsContact O-N 3.11Å; D117-S121 PolarHBondContact O-OG 3.18Å; S118-S121 WeakPolarHBondContact CA-OG 3.32Å; S118-S121 PolarHBondContact O-OG 2.83Å; S118-S121 VanDerWaalsContact O-OG 3.04Å; S121-N123 PolarHBondContact O-N 3.13Å; S121-H511 PolarHBondContact OG-CE1 2.82Å; S121-H511 PolarHBondContact OG-NE2 2.94Å
122	S	57.1	Low	65.8	Low	22 Å²	22	48.5 Å²	48.5	15%	0.154	26%	0.255	C	S	.	.			trans	-81.4	93.4	173.9	63.1	0	0	0	0	112.4	L119 F120 F124	L119-S122 PolarHBondContact O-N 3.42Å; L119-S122 PolarHBondContact O-OG 3.24Å; F120-S122 PolarHBondContact O-N 3.02Å; S122-F124 PolarHBondContact O-N 2.98Å
123	N	56.8	Low	65.8	Low	166 Å²	166	51 Å²	51	89%	0.888	27%	0.271	S	S	*	.			trans	-71.3	54.1	165	-70.2	-60.3	0	0	0	111.2	S121	S121-N123 PolarHBondContact O-N 3.13Å
124	F	57.4	Low	66.1	Low	90 Å²	90	52 Å²	52	40%	0.395	29%	0.286	S	S	.	.			trans	-116.2	149.1	-165.1	-158.8	-98.4	0	0	0	113.8	S122 L132	S122-F124 PolarHBondContact O-N 2.98Å; F124-L132 WeakPolarHBondContact O-CB 3.37Å; F124-L132 PolarHBondContact O-N 2.85Å
125	M	55.1	Low	66.4	Low	98 Å²	98	53.7 Å²	53.7	48%	0.483	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	102.6	176.4	-175.6	166.7	74.5	0	0	108.2	T127 S130	M125-T127 WeakPolarHBondContact CG-O 3.21Å; M125-T127 PolarHBondContact O-N 3.45Å; M125-S130 CarbonylContact C-O 3.37Å; M125-S130 WeakPolarHBondContact CA-O 3.4Å; M125-S130 WeakPolarHBondContact CG-O 3.39Å
126	L	60.3	Low	66.7	Low	9 Å²	9	57.8 Å²	57.8	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-41	-168.5	-79.9	172.7	0	0	0	112.7	S130 L132 A191 W201 M499 L500	L126-S130 WeakPolarHBondContact CB-OG 3.49Å; L126-S130 PolarHBondContact N-O 3.31Å; L126-L132 HydrophobicContact CD1-CD1 3.75Å; L126-L132 HydrophobicContact CG-CD1 4.37Å; L126-A191 HydrophobicContact CD1-CB 4.37Å; L126-W201 HydrophobicContact CD1-CZ2 3.78Å; L126-M499 WeakPolarHBondContact O-CB 3.4Å; L126-M499 VanDerWaalsContact O-CE 3.23Å; L126-M499 WeakPolarHBondContact O-CE 3.33Å; L126-L500 HydrophobicContact CD1-CD1 4.36Å; L126-L500 HydrophobicContact CD2-CB 4.22Å; L126-L500 HydrophobicContact CD2-CD1 4.46Å; L126-L500 HydrophobicContact CD2-CG 4.46Å
127	T	59.5	Low	66.8	Low	30 Å²	30	62.3 Å²	62.3	18%	0.184	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	161.7	168.6	49.4	0	0	0	0	107.7	M125 D129 S130 D496 M499	M125-T127 WeakPolarHBondContact CG-O 3.21Å; M125-T127 PolarHBondContact O-N 3.45Å; T127-D129 PolarHBondContact O-N 3.48Å; T127-S130 PolarHBondContact N-OG 3.41Å; T127-S130 PolarHBondContact O-N 2.87Å; T127-S130 WeakPolarHBondContact OG1-CB 3.44Å; T127-S130 PolarHBondContact OG1-OG 3.48Å; T127-D496 WeakPolarHBondContact CG2-OD1 3.44Å; T127-D496 PolarHBondContact OG1-OD1 2.82Å; T127-M499 HydrophobicContact CG2-CB 4.3Å; T127-M499 HydrophobicContact CG2-CG 3.79Å
128	E	62.8	Low	67.4	Low	173 Å²	173	64.4 Å²	64.4	81%	0.808	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.8	-177.3	-61	-174.4	163.9	0	0	113.2
129	D	67.4	Low	68.1	Low	94 Å²	94	64.4 Å²	64.4	50%	0.503	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	8.5	176.4	-69.7	-49.1	0	0	0	115	T127 S193 A194 P195	T127-D129 PolarHBondContact O-N 3.48Å; D129-S193 CarbonylContact O-C 3.45Å; D129-S193 WeakPolarHBondContact O-CA 3.49Å; D129-A194 PolarHBondContact O-N 2.99Å; D129-P195 HydrophobicContact CB-CG 4.32Å; D129-P195 WeakPolarHBondContact OD1-CG 3.36Å
130	S	67.5	Low	68.9	Low	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	122.5	176.9	74.1	0	0	0	0	114.7	M125 L126 T127 V192 D496	M125-S130 CarbonylContact C-O 3.37Å; M125-S130 WeakPolarHBondContact CA-O 3.4Å; M125-S130 WeakPolarHBondContact CG-O 3.39Å; L126-S130 WeakPolarHBondContact CB-OG 3.49Å; L126-S130 PolarHBondContact N-O 3.31Å; T127-S130 PolarHBondContact N-OG 3.41Å; T127-S130 PolarHBondContact O-N 2.87Å; T127-S130 WeakPolarHBondContact OG1-CB 3.44Å; T127-S130 PolarHBondContact OG1-OG 3.48Å; S130-V192 WeakPolarHBondContact CA-O 3.39Å; S130-D496 PolarHBondContact OG-OD1 2.87Å
131	L	71.6	Confident	69.9	Low	87 Å²	87	65.2 Å²	65.2	46%	0.455	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.9	176.2	-177.9	135.3	0	0	0	109.5	V192	L131-V192 PolarHBondContact N-O 2.78Å; L131-V192 PolarHBondContact O-N 3.25Å
132	L	75.3	Confident	71.1	Confident	18 Å²	18	63.8 Å²	63.8	9%	0.094	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.1	167	-162.9	88.4	0	0	0	108.7	L119 F124 L126 V189 W201	L119-L132 HydrophobicContact CB-CD2 4.29Å; L119-L132 WeakPolarHBondContact O-CD2 3.46Å; F124-L132 WeakPolarHBondContact O-CB 3.37Å; F124-L132 PolarHBondContact O-N 2.85Å; L126-L132 HydrophobicContact CD1-CD1 3.75Å; L126-L132 HydrophobicContact CG-CD1 4.37Å; L132-V189 HydrophobicContact CD1-CG1 3.67Å; L132-V189 HydrophobicContact CD2-CG1 4.35Å; L132-V189 HydrophobicContact CG-CG1 4.07Å; L132-W201 HydrophobicContact CD1-CH2 3.76Å; L132-W201 HydrophobicContact CD1-CZ2 4.09Å
133	T	74.4	Confident	72.6	Confident	66 Å²	66	62.8 Å²	62.8	41%	0.405	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.6	170.8	-170.7	0	0	0	0	109.5	R190 V192	T133-R190 HydrophobicContact CG2-CB 3.97Å; T133-R190 PolarHBondContact N-O 3.01Å; T133-R190 PolarHBondContact O-N 3.26Å; T133-V192 HydrophobicContact CG2-CG2 3.87Å
134	G	75	Confident	74.1	Confident	48 Å²	48	55.1 Å²	55.1	50%	0.495	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	172.1	-179.2	0	0	0	0	0	112.8	V188	G134-V188 CarbonylContact C-O 3.58Å; G134-V188 WeakPolarHBondContact CA-O 3.15Å
135	G	74.2	Confident	75.5	Confident	37 Å²	37	50.8 Å²	50.8	38%	0.381	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	151.6	179	0	0	0	0	0	112.3	V188	G135-V188 PolarHBondContact N-O 2.96Å; G135-V188 PolarHBondContact O-N 3.13Å
136	R	78.5	Confident	76.9	Confident	111 Å²	111	48.3 Å²	48.3	42%	0.419	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	103.8	170.5	179.4	164.3	178.5	147.3	3.5	108.6	D117 F120 H138 V185 N186 N187	D117-R136 IonicContact OD1-CZ 3.57Å; D117-R136 IonicContact OD1-NH1 2.71Å; D117-R136 PolarHBondContact OD1-NH1 2.94Å; D117-R136 IonicContact OD2-NH1 2.87Å; D117-R136 PolarHBondContact OD2-NH1 2.85Å; F120-R136 HydrophobicContact CE2-CB 4.38Å; R136-H138 PolarHBondContact NE-NE2 3.29Å; R136-V185 HydrophobicContact CG-CG1 4.14Å; R136-N186 CarbonylContact C-O 3.48Å; R136-N186 VanDerWaalsContact CA-O 3.3Å; R136-N186 WeakPolarHBondContact CA-O 3.49Å; R136-N187 WeakPolarHBondContact CD-OD1 3.43Å; R136-N187 WeakPolarHBondContact CG-OD1 3.38Å
137	E	76.3	Confident	78.2	Confident	95 Å²	95	52 Å²	52	44%	0.444	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.6	175.5	169.8	-171.8	-130.3	0	0	109.9	N186	E137-N186 HydrophobicContact CB-CB 4.07Å; E137-N186 PolarHBondContact N-O 3.08Å; E137-N186 PolarHBondContact O-N 2.77Å; E137-N186 PolarHBondContact OE2-ND2 3.01Å
138	H	81.1	Confident	79.5	Confident	113 Å²	113	51 Å²	51	52%	0.523	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.3	171.1	-73.7	-99.5	0	0	0	108.9	R136	R136-H138 PolarHBondContact NE-NE2 3.29Å
139	S	82.3	Confident	80.6	Confident	12 Å²	12	47.2 Å²	47.2	8%	0.084	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153.3	174.3	50.8	0	0	0	0	109.7	R184	S139-R184 PolarHBondContact N-O 3.43Å; S139-R184 WeakPolarHBondContact O-CA 3.48Å; S139-R184 WeakPolarHBondContact O-CB 3.16Å; S139-R184 PolarHBondContact O-N 3.16Å; S139-R184 VanDerWaalsContact O-O 3.1Å
140	T	85.1	Confident	81.5	Confident	37 Å²	37	45.5 Å²	45.5	23%	0.227	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	120	-173.1	-58.3	0	0	0	0	108.9	C154 I181 V182 Y183	T140-C154 PolarHBondContact N-O 2.98Å; T140-C154 WeakPolarHBondContact O-CA 3.33Å; T140-C154 VanDerWaalsContact O-CB 3.27Å; T140-C154 WeakPolarHBondContact O-CB 2.95Å; T140-C154 PolarHBondContact O-N 3.47Å; T140-I181 HydrophobicContact CG2-CG2 3.28Å; T140-V182 WeakPolarHBondContact CA-O 3.31Å; T140-Y183 HydrophobicContact CG2-CD1 4.1Å; T140-Y183 HydrophobicContact CG2-CE1 4.25Å
141	F	88	Confident	82.1	Confident	26 Å²	26	47.7 Å²	47.7	11%	0.114	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	162.6	170.6	75.9	-91.2	0	0	0	111.2	F44 I58 F143 I150 Y152 V182 Y208	F44-F141 HydrophobicContact CD2-CZ 4.14Å; F44-F141 HydrophobicContact CE2-CE1 4.34Å; F44-F141 AromaticContact CE2-CZ 3.91Å; F44-F141 HydrophobicContact CE2-CZ 3.91Å; I58-F141 HydrophobicContact CD1-CE2 4.43Å; F141-F143 HydrophobicContact CD2-CD1 4.46Å; F141-F143 AromaticContact CE2-CD1 3.92Å; F141-F143 HydrophobicContact CE2-CD1 3.92Å; F141-I150 HydrophobicContact CD2-CD1 4.47Å; F141-I150 HydrophobicContact CD2-CG1 4.32Å; F141-Y152 CarbonylContact C-O 3.58Å; F141-Y152 WeakPolarHBondContact CA-O 3.41Å; F141-V182 HydrophobicContact CD1-CB 3.83Å; F141-V182 HydrophobicContact CD1-CG1 4.12Å; F141-V182 HydrophobicContact CD1-CG2 4.49Å; F141-V182 HydrophobicContact CD2-CB 4.37Å; F141-V182 HydrophobicContact CD2-CG2 4.29Å; F141-V182 HydrophobicContact CE1-CB 3.54Å; F141-V182 HydrophobicContact CE1-CG1 3.51Å; F141-V182 HydrophobicContact CE1-CG2 3.95Å; F141-V182 HydrophobicContact CE2-CB 4.11Å; F141-V182 HydrophobicContact CE2-CG2 3.71Å; F141-V182 HydrophobicContact CG-CB 4.25Å; F141-V182 HydrophobicContact CZ-CB 3.7Å; F141-V182 HydrophobicContact CZ-CG1 3.89Å; F141-V182 HydrophobicContact CZ-CG2 3.53Å; F141-V182 PolarHBondContact N-O 3.32Å; F141-V182 PolarHBondContact O-N 2.9Å; F141-Y208 HydrophobicContact CE1-CE1 4.22Å
142	T	87	Confident	82.5	Confident	8 Å²	8	46.6 Å²	46.6	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.5	-178.1	53.1	0	0	0	0	110.4	I150 R151 Y152 T179 I180 I181	T142-I150 CarbonylContact O-C 3.6Å; T142-I150 WeakPolarHBondContact O-CA 3.33Å; T142-I150 WeakPolarHBondContact O-CG2 3.37Å; T142-R151 PolarHBondContact O-N 3.09Å; T142-Y152 PolarHBondContact N-O 3.46Å; T142-Y152 WeakPolarHBondContact OG1-CB 3.41Å; T142-Y152 PolarHBondContact OG1-N 3.43Å; T142-Y152 PolarHBondContact OG1-O 2.8Å; T142-T179 HydrophobicContact CG2-CG2 4.22Å; T142-I180 CarbonylContact C-O 3.53Å; T142-I180 VanDerWaalsContact CA-O 3.24Å; T142-I180 WeakPolarHBondContact CA-O 3.15Å; T142-I181 HydrophobicContact CG2-CG1 4.19Å
143	F	89.9	Confident	82.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.3	176.5	72.1	-84.7	0	0	0	111.8	I36 W56 I58 F141 P145 K149 I150 I180 V182 L210	I36-F143 HydrophobicContact CD1-CE2 4.32Å; I36-F143 HydrophobicContact CD1-CZ 4.21Å; W56-F143 HydrophobicContact CH2-CD2 4.14Å; W56-F143 AromaticContact CH2-CE2 3.36Å; W56-F143 HydrophobicContact CH2-CE2 3.36Å; W56-F143 AromaticContact CH2-CZ 3.87Å; W56-F143 HydrophobicContact CH2-CZ 3.87Å; W56-F143 HydrophobicContact CZ2-CD2 4.26Å; W56-F143 AromaticContact CZ2-CE2 3.53Å; W56-F143 HydrophobicContact CZ2-CE2 3.53Å; W56-F143 HydrophobicContact CZ2-CZ 4.38Å; W56-F143 HydrophobicContact CZ3-CE2 4.17Å; I58-F143 HydrophobicContact CD1-CB 3.89Å; I58-F143 HydrophobicContact CD1-CD1 4.2Å; I58-F143 HydrophobicContact CD1-CD2 3.98Å; I58-F143 HydrophobicContact CD1-CG 3.77Å; F141-F143 HydrophobicContact CD2-CD1 4.46Å; F141-F143 AromaticContact CE2-CD1 3.92Å; F141-F143 HydrophobicContact CE2-CD1 3.92Å; F143-P145 HydrophobicContact CE2-CB 4.32Å; F143-K149 VanDerWaalsContact CA-O 3.29Å; F143-K149 WeakPolarHBondContact CA-O 3.31Å; F143-I150 HydrophobicContact CB-CG1 4.49Å; F143-I180 HydrophobicContact CD1-CB 4.26Å; F143-I180 HydrophobicContact CD1-CG2 4.3Å; F143-I180 HydrophobicContact CE1-CB 3.78Å; F143-I180 HydrophobicContact CE1-CG2 3.5Å; F143-I180 VanDerWaalsContact CE1-CG2 3.5Å; F143-I180 HydrophobicContact CE2-CB 4.32Å; F143-I180 HydrophobicContact CE2-CD1 4.4Å; F143-I180 HydrophobicContact CZ-CB 3.82Å; F143-I180 HydrophobicContact CZ-CD1 4.05Å; F143-I180 HydrophobicContact CZ-CG1 4.47Å; F143-I180 HydrophobicContact CZ-CG2 3.75Å; F143-I180 PolarHBondContact N-O 3.45Å; F143-I180 PolarHBondContact O-N 3.03Å; F143-V182 HydrophobicContact CD1-CG2 3.81Å; F143-V182 HydrophobicContact CE1-CG2 3.46Å; F143-V182 VanDerWaalsContact CE1-CG2 3.46Å; F143-L210 HydrophobicContact CZ-CD2 4.41Å
144	N	87.4	Confident	83	Confident	5 Å²	5	47 Å²	47	3%	0.027	25%	0.248	C	C	.	.			trans	-80.9	121.5	170.9	176	-32.8	0	0	0	109.1	N146 N147 G148 K149 D177	N144-N146 PolarHBondContact O-N 3.49Å; N144-N146 VanDerWaalsContact O-N 3.1Å; N144-N146 VanDerWaalsContact OD1-CB 3.27Å; N144-N146 WeakPolarHBondContact OD1-CB 3.47Å; N144-N146 PolarHBondContact OD1-N 3.01Å; N144-N147 WeakPolarHBondContact CB-OD1 3.4Å; N144-N147 PolarHBondContact O-N 2.93Å; N144-N147 PolarHBondContact O-OD1 3.28Å; N144-G148 WeakPolarHBondContact O-CA 3.4Å; N144-G148 PolarHBondContact O-N 3.02Å; N144-K149 PolarHBondContact N-O 3.23Å; N144-D177 PolarHBondContact ND2-OD2 2.98Å
145	P	87.6	Confident	83	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-10.1	-173.9	29.5	-36	0	0	0	114.4	I36 W56 F143 P178 I180 Y293	I36-P145 HydrophobicContact CD1-CB 4.21Å; W56-P145 PolarHBondContact NE1-O 3.49Å; F143-P145 HydrophobicContact CE2-CB 4.32Å; P145-P178 VanDerWaalsContact CD-O 3.25Å; P145-P178 WeakPolarHBondContact CD-O 3.5Å; P145-P178 HydrophobicContact CG-CB 4.2Å; P145-P178 HydrophobicContact CG-CG 4.25Å; P145-I180 HydrophobicContact CB-CD1 3.72Å; P145-I180 HydrophobicContact CB-CG1 4.13Å; P145-I180 HydrophobicContact CG-CD1 4.25Å; P145-I180 HydrophobicContact CG-CG1 4.19Å; P145-Y293 HydrophobicContact CB-CD1 3.61Å; P145-Y293 HydrophobicContact CB-CE1 3.85Å; P145-Y293 HydrophobicContact CB-CG 4.12Å; P145-Y293 HydrophobicContact CG-CD1 3.7Å; P145-Y293 HydrophobicContact CG-CE1 3.38Å; P145-Y293 HydrophobicContact CG-CE2 4.37Å; P145-Y293 HydrophobicContact CG-CG 4.3Å
146	N	84.8	Confident	82.9	Confident	45 Å²	45	54.4 Å²	54.4	24%	0.241	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-24.8	-178.1	-58.4	-25.6	0	0	0	112.9	V55 N144 R295	V55-N146 WeakPolarHBondContact CG1-O 3.45Å; N144-N146 PolarHBondContact O-N 3.49Å; N144-N146 VanDerWaalsContact O-N 3.1Å; N144-N146 VanDerWaalsContact OD1-CB 3.27Å; N144-N146 WeakPolarHBondContact OD1-CB 3.47Å; N144-N146 PolarHBondContact OD1-N 3.01Å; N146-R295 WeakPolarHBondContact OD1-CD 3.28Å; N146-R295 PolarHBondContact OD1-NE 2.87Å
147	N	87	Confident	82.7	Confident	86 Å²	86	55.3 Å²	55.3	46%	0.46	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.2	-2.3	-175.9	64.9	13.6	0	0	0	114.8	W56 N144 K149	W56-N147 WeakPolarHBondContact CB-O 3.45Å; N144-N147 WeakPolarHBondContact CB-OD1 3.4Å; N144-N147 PolarHBondContact O-N 2.93Å; N144-N147 PolarHBondContact O-OD1 3.28Å; N147-K149 PolarHBondContact O-N 3.46Å; N147-K149 VanDerWaalsContact OD1-CB 3.31Å; N147-K149 WeakPolarHBondContact OD1-CB 3.44Å; N147-K149 PolarHBondContact OD1-N 3.13Å
148	G	86.1	Confident	82.4	Confident	9 Å²	9	52.3 Å²	52.3	9%	0.093	26%	0.264	C	S	.	.			trans	72	3.6	179.8	0	0	0	0	0	114.7	W56 I58 N144 I150	W56-G148 VanDerWaalsContact CD1-N 3.3Å; I58-G148 WeakPolarHBondContact CD1-O 3.22Å; N144-G148 WeakPolarHBondContact O-CA 3.4Å; N144-G148 PolarHBondContact O-N 3.02Å; G148-I150 PolarHBondContact O-N 2.8Å; G148-I150 VanDerWaalsContact O-N 3.08Å
149	K	87.1	Confident	81.9	Confident	95 Å²	95	49.1 Å²	49.1	41%	0.413	25%	0.254	S	S	.	.			trans	-66.2	113.2	-179.4	-164.5	-160.9	-177.9	-169.7	0	109.4	F143 N144 N147 D163	F143-K149 VanDerWaalsContact CA-O 3.29Å; F143-K149 WeakPolarHBondContact CA-O 3.31Å; N144-K149 PolarHBondContact N-O 3.23Å; N147-K149 PolarHBondContact O-N 3.46Å; N147-K149 VanDerWaalsContact OD1-CB 3.31Å; N147-K149 WeakPolarHBondContact OD1-CB 3.44Å; N147-K149 PolarHBondContact OD1-N 3.13Å; K149-D163 WeakPolarHBondContact CE-OD1 3.37Å; K149-D163 IonicContact NZ-OD1 2.67Å; K149-D163 PolarHBondContact NZ-OD1 3.18Å; K149-D163 IonicContact NZ-OD2 3.35Å; K149-D163 PolarHBondContact NZ-OD2 3.42Å
150	I	85.2	Confident	81.6	Confident	58 Å²	58	52.9 Å²	52.9	30%	0.297	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	139.7	167	-61.5	175.6	0	0	0	108.6	I58 F141 T142 F143 G148 S162	I58-I150 HydrophobicContact CD1-CG1 4.4Å; I58-I150 HydrophobicContact CG2-CD1 3.93Å; I58-I150 HydrophobicContact CG2-CG1 4.42Å; F141-I150 HydrophobicContact CD2-CD1 4.47Å; F141-I150 HydrophobicContact CD2-CG1 4.32Å; T142-I150 CarbonylContact O-C 3.6Å; T142-I150 WeakPolarHBondContact O-CA 3.33Å; T142-I150 WeakPolarHBondContact O-CG2 3.37Å; F143-I150 HydrophobicContact CB-CG1 4.49Å; G148-I150 PolarHBondContact O-N 2.8Å; G148-I150 VanDerWaalsContact O-N 3.08Å; I150-S162 WeakPolarHBondContact O-CB 3.36Å; I150-S162 PolarHBondContact O-OG 3.4Å
151	R	80.8	Confident	80.8	Confident	46 Å²	46	53 Å²	53	17%	0.174	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-46.1	179.5	-71.7	-176.3	152.3	159	-2.1	113.1	T142 S161 S162 D177 T179	T142-R151 PolarHBondContact O-N 3.09Å; R151-S161 WeakPolarHBondContact O-CA 3.39Å; R151-S161 PolarHBondContact O-OG 3.08Å; R151-S162 WeakPolarHBondContact CA-OG 3.39Å; R151-S162 PolarHBondContact O-N 3.1Å; R151-S162 VanDerWaalsContact O-N 3.12Å; R151-S162 PolarHBondContact O-OG 2.72Å; R151-D177 IonicContact CZ-OD2 3.01Å; R151-D177 PolarHBondContact NH1-O 3.06Å; R151-D177 IonicContact NH1-OD2 2.72Å; R151-D177 IonicContact NH2-OD2 3.36Å; R151-D177 PolarHBondContact NH2-OD2 2.96Å; R151-T179 PolarHBondContact NH1-OG1 2.81Å
152	Y	79.6	Confident	79.5	Confident	63 Å²	63	54.6 Å²	54.6	25%	0.247	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.8	177.8	-54	-84	0	0	0	110.2	F141 T142 T160 I217	F141-Y152 CarbonylContact C-O 3.58Å; F141-Y152 WeakPolarHBondContact CA-O 3.41Å; T142-Y152 PolarHBondContact N-O 3.46Å; T142-Y152 WeakPolarHBondContact OG1-CB 3.41Å; T142-Y152 PolarHBondContact OG1-N 3.43Å; T142-Y152 PolarHBondContact OG1-O 2.8Å; Y152-T160 CarbonylContact C-O 3.52Å; Y152-T160 VanDerWaalsContact CA-O 3.32Å; Y152-T160 WeakPolarHBondContact CA-O 3.44Å; Y152-I217 HydrophobicContact CD2-CD1 3.92Å; Y152-I217 HydrophobicContact CE2-CD1 3.75Å
153	N	82.6	Confident	78	Confident	73 Å²	73	58.9 Å²	58.9	39%	0.39	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.5	167.9	-176.3	14.3	0	0	0	108.4	C159 T160	N153-C159 WeakPolarHBondContact O-CA 3.43Å; N153-T160 PolarHBondContact N-O 3.11Å; N153-T160 PolarHBondContact O-N 3.43Å; N153-T160 PolarHBondContact O-OG1 3.24Å
154	C	76.6	Confident	75.7	Confident	19 Å²	19	65 Å²	65	13%	0.128	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.5	-179.4	-64.8	0	0	0	0	110.5	T140 C159	T140-C154 PolarHBondContact N-O 2.98Å; T140-C154 WeakPolarHBondContact O-CA 3.33Å; T140-C154 VanDerWaalsContact O-CB 3.27Å; T140-C154 WeakPolarHBondContact O-CB 2.95Å; T140-C154 PolarHBondContact O-N 3.47Å; C154-C159 HydrophobicContact CB-CB 4.11Å; C154-C159 WeakPolarHBondContact CB-SG 3.42Å; C154-C159 WeakPolarHBondContact SG-CB 3.36Å; C154-C159 CovalentContact SG-SG 2.04Å; C154-C159 PolarHBondContact SG-SG 3.5Å
155	T	75.9	Confident	73.3	Confident	59 Å²	59	70.1 Å²	70.1	36%	0.362	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	177.3	171.1	65.6	0	0	0	0	109.1	D157 G158	T155-D157 PolarHBondContact O-N 3.33Å; T155-D157 PolarHBondContact OG1-N 3.43Å; T155-G158 PolarHBondContact N-O 3.38Å; T155-G158 PolarHBondContact O-N 2.87Å; T155-G158 PolarHBondContact OG1-O 2.76Å
156	R	71.6	Confident	70.7	Confident	182 Å²	182	78.2 Å²	78.2	69%	0.687	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.4	171.9	-169.4	-161.9	66	-176.2	-5.2	112.8	G158	R156-G158 VanDerWaalsContact C-N 3.34Å
157	D	74.3	Confident	68	Low	130 Å²	130	85.5 Å²	85.5	70%	0.695	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	0.4	-174.3	-52.8	-24.8	0	0	0	112.5	T155	T155-D157 PolarHBondContact O-N 3.33Å; T155-D157 PolarHBondContact OG1-N 3.43Å
158	G	69.8	Low	65.2	Low	33 Å²	33	89.4 Å²	89.4	34%	0.34	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	135.8	179.8	173.4	0	0	0	0	0	114.1	T155 R156	T155-G158 PolarHBondContact N-O 3.38Å; T155-G158 PolarHBondContact O-N 2.87Å; T155-G158 PolarHBondContact OG1-O 2.76Å; R156-G158 VanDerWaalsContact C-N 3.34Å
159	C	71	Confident	62.6	Low	46 Å²	46	94.7 Å²	94.7	31%	0.311	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.4	176.9	-62.2	0	0	0	0	111.3	N153 C154 T221	N153-C159 WeakPolarHBondContact O-CA 3.43Å; C154-C159 HydrophobicContact CB-CB 4.11Å; C154-C159 WeakPolarHBondContact CB-SG 3.42Å; C154-C159 WeakPolarHBondContact SG-CB 3.36Å; C154-C159 CovalentContact SG-SG 2.04Å; C154-C159 PolarHBondContact SG-SG 3.5Å; C159-T221 VanDerWaalsContact SG-CB 3.56Å; C159-T221 PolarHBondContact SG-OG1 3.45Å
160	T	76.2	Confident	59.7	Low	90 Å²	90	99.7 Å²	99.7	55%	0.552	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	137.9	167.8	53.6	0	0	0	0	109.8	Y152 N153	Y152-T160 CarbonylContact C-O 3.52Å; Y152-T160 VanDerWaalsContact CA-O 3.32Å; Y152-T160 WeakPolarHBondContact CA-O 3.44Å; N153-T160 PolarHBondContact N-O 3.11Å; N153-T160 PolarHBondContact O-N 3.43Å; N153-T160 PolarHBondContact O-OG1 3.24Å
161	S	69.2	Low	57	Low	40 Å²	40	104.9 Å²	104.9	28%	0.28	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	146.2	161.9	-174.7	0	0	0	0	109.6	R151 D163 V164	R151-S161 WeakPolarHBondContact O-CA 3.39Å; R151-S161 PolarHBondContact O-OG 3.08Å; S161-D163 VanDerWaalsContact C-N 3.27Å; S161-D163 PolarHBondContact OG-N 2.84Å; S161-V164 WeakPolarHBondContact O-CG2 3.46Å
162	S	60.7	Low	54.8	Low	59 Å²	59	108.4 Å²	108.4	41%	0.413	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.3	-17.3	172.8	48.7	0	0	0	0	113.3	I150 R151 V164	I150-S162 WeakPolarHBondContact O-CB 3.36Å; I150-S162 PolarHBondContact O-OG 3.4Å; R151-S162 WeakPolarHBondContact CA-OG 3.39Å; R151-S162 PolarHBondContact O-N 3.1Å; R151-S162 VanDerWaalsContact O-N 3.12Å; R151-S162 PolarHBondContact O-OG 2.72Å; S162-V164 PolarHBondContact O-N 2.72Å
163	D	55.6	Low	52.9	Low	99 Å²	99	111.5 Å²	111.5	53%	0.529	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.9	21.8	-177.5	-79.8	-50.8	0	0	0	114	K149 S161 D165	K149-D163 WeakPolarHBondContact CE-OD1 3.37Å; K149-D163 IonicContact NZ-OD1 2.67Å; K149-D163 PolarHBondContact NZ-OD1 3.18Å; K149-D163 IonicContact NZ-OD2 3.35Å; K149-D163 PolarHBondContact NZ-OD2 3.42Å; S161-D163 VanDerWaalsContact C-N 3.27Å; S161-D163 PolarHBondContact OG-N 2.84Å; D163-D165 PolarHBondContact O-N 3.22Å
164	V	40	Very low	51.3	Low	127 Å²	127	114.4 Å²	114.4	77%	0.77	61%	0.608	S	S	*	*			trans	-84.3	54	174.8	-169.3	0	0	0	0	110.7	S161 S162	S161-V164 WeakPolarHBondContact O-CG2 3.46Å; S162-V164 PolarHBondContact O-N 2.72Å
165	D	36.7	Very low	50.1	Low	114 Å²	114	118.4 Å²	118.4	61%	0.61	63%	0.632	S	S	*	*	S	Bend	trans	-126	86.8	171.4	-143.8	-27	0	0	0	113	D163	D163-D165 PolarHBondContact O-N 3.22Å
166	K	34.2	Very low	49.2	Very low	169 Å²	169	121.7 Å²	121.7	74%	0.735	65%	0.647	S	S	*	*			trans	49.5	84.1	146.5	-55.3	176	-158.8	72.5	0	118.6
167	K	27.9	Very low	49.1	Very low	199 Å²	199	116 Å²	116	87%	0.865	63%	0.63	S	S	*	*			trans	73	149	153.2	-54.8	175.9	174.7	178.9	0	117.5
168	L	27.8	Very low	49.1	Very low	167 Å²	167	110.6 Å²	110.6	87%	0.874	60%	0.602	S	S	*	*			trans	87.3	143.8	170.8	-55.1	171.4	0	0	0	116.3
169	V	31.3	Very low	49.8	Very low	120 Å²	120	109.5 Å²	109.5	73%	0.727	59%	0.589	S	S	*	*			trans	64.3	107.2	173.7	-153.2	0	0	0	0	117.1	E171	V169-E171 HydrophobicContact CG1-CG 3.71Å; V169-E171 PolarHBondContact O-N 3.37Å; V169-E171 VanDerWaalsContact O-N 3.17Å
170	E	26.8	Very low	50.6	Low	200 Å²	200	107.3 Å²	107.3	94%	0.935	57%	0.574	S	S	*	*			trans	-75.3	83.4	160.1	-61.2	166.9	130.5	0	0	109.4
171	E	29.3	Very low	51.1	Low	167 Å²	167	103.2 Å²	103.2	78%	0.78	55%	0.549	S	S	*	.			trans	-93.8	125.2	160.8	-71.2	-157.1	159.3	0	0	109.9	V169 L173	V169-E171 HydrophobicContact CG1-CG 3.71Å; V169-E171 PolarHBondContact O-N 3.37Å; V169-E171 VanDerWaalsContact O-N 3.17Å; E171-L173 PolarHBondContact O-N 3.32Å
172	P	33.1	Very low	52	Low	121 Å²	121	101.3 Å²	101.3	79%	0.786	54%	0.536	S	S	*	.			trans	-66.7	130	174.4	27.9	-33	0	0	0	109.7	N174	P172-N174 PolarHBondContact O-N 3.4Å
173	L	40.7	Very low	53.2	Low	128 Å²	128	99.9 Å²	99.9	67%	0.67	52%	0.521	S	S	*	.			trans	-49	114.1	175.3	-78.3	159	0	0	0	110.7	E171 T175	E171-L173 PolarHBondContact O-N 3.32Å; L173-T175 PolarHBondContact O-N 3.05Å
174	N	48.7	Very low	54.6	Low	133 Å²	133	97.5 Å²	97.5	71%	0.711	51%	0.505	S	S	*	.			trans	-60.1	105.9	173.4	-107.2	-32.4	0	0	0	109.1	P172 N176 D177	P172-N174 PolarHBondContact O-N 3.4Å; N174-N176 PolarHBondContact O-N 2.9Å; N174-D177 HydrophobicContact CB-CB 4.48Å; N174-D177 WeakPolarHBondContact O-CB 3.38Å; N174-D177 PolarHBondContact O-N 3.35Å
175	T	51.3	Low	56.6	Low	104 Å²	104	92.5 Å²	92.5	64%	0.638	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-10.6	-172.9	51	0	0	0	0	114.4	L173	L173-T175 PolarHBondContact O-N 3.05Å
176	N	58.2	Low	58.9	Low	127 Å²	127	87.3 Å²	87.3	68%	0.679	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-0.1	-172.7	-56.4	-3.9	0	0	0	112.5	N174	N174-N176 PolarHBondContact O-N 2.9Å
177	D	68.7	Low	61.1	Low	63 Å²	63	79.4 Å²	79.4	34%	0.337	41%	0.413	S	S	.	.	S	Bend	trans	-83.8	112.2	-170.9	-142.9	44.1	0	0	0	110.4	N144 R151 N174 T179	N144-D177 PolarHBondContact ND2-OD2 2.98Å; R151-D177 IonicContact CZ-OD2 3.01Å; R151-D177 PolarHBondContact NH1-O 3.06Å; R151-D177 IonicContact NH1-OD2 2.72Å; R151-D177 IonicContact NH2-OD2 3.36Å; R151-D177 PolarHBondContact NH2-OD2 2.96Å; N174-D177 HydrophobicContact CB-CB 4.48Å; N174-D177 WeakPolarHBondContact O-CB 3.38Å; N174-D177 PolarHBondContact O-N 3.35Å; D177-T179 PolarHBondContact O-OG1 3.4Å
178	P	75.1	Confident	63.7	Low	16 Å²	16	71.6 Å²	71.6	10%	0.104	38%	0.382	C	S	.	.			trans	-60.4	142	-167.5	25.3	-35.3	0	0	0	111.6	P145 L212 Y293	P145-P178 VanDerWaalsContact CD-O 3.25Å; P145-P178 WeakPolarHBondContact CD-O 3.5Å; P145-P178 HydrophobicContact CG-CB 4.2Å; P145-P178 HydrophobicContact CG-CG 4.25Å; P178-L212 HydrophobicContact CB-CD1 4.43Å; P178-Y293 VanDerWaalsContact CB-OH 3.27Å; P178-Y293 WeakPolarHBondContact CB-OH 3.49Å; P178-Y293 WeakPolarHBondContact CG-OH 3.48Å
179	T	83.4	Confident	66.3	Low	11 Å²	11	63.6 Å²	63.6	7%	0.067	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	124	-177.8	-56.8	0	0	0	0	109.5	T142 R151 D177 L213	T142-T179 HydrophobicContact CG2-CG2 4.22Å; R151-T179 PolarHBondContact NH1-OG1 2.81Å; D177-T179 PolarHBondContact O-OG1 3.4Å; T179-L213 HydrophobicContact CG2-CD1 4.14Å; T179-L213 WeakPolarHBondContact O-CB 3.47Å; T179-L213 PolarHBondContact O-N 3.41Å
180	I	87.2	Confident	68.7	Low	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.5	170.2	-68.4	-176.1	0	0	0	108.6	I36 T142 F143 P145 L210 C211 L212 L300	I36-I180 HydrophobicContact CD1-CD1 3.45Å; I36-I180 VanDerWaalsContact CD1-CD1 3.45Å; T142-I180 CarbonylContact C-O 3.53Å; T142-I180 VanDerWaalsContact CA-O 3.24Å; T142-I180 WeakPolarHBondContact CA-O 3.15Å; F143-I180 HydrophobicContact CD1-CB 4.26Å; F143-I180 HydrophobicContact CD1-CG2 4.3Å; F143-I180 HydrophobicContact CE1-CB 3.78Å; F143-I180 HydrophobicContact CE1-CG2 3.5Å; F143-I180 VanDerWaalsContact CE1-CG2 3.5Å; F143-I180 HydrophobicContact CE2-CB 4.32Å; F143-I180 HydrophobicContact CE2-CD1 4.4Å; F143-I180 HydrophobicContact CZ-CB 3.82Å; F143-I180 HydrophobicContact CZ-CD1 4.05Å; F143-I180 HydrophobicContact CZ-CG1 4.47Å; F143-I180 HydrophobicContact CZ-CG2 3.75Å; F143-I180 PolarHBondContact N-O 3.45Å; F143-I180 PolarHBondContact O-N 3.03Å; P145-I180 HydrophobicContact CB-CD1 3.72Å; P145-I180 HydrophobicContact CB-CG1 4.13Å; P145-I180 HydrophobicContact CG-CD1 4.25Å; P145-I180 HydrophobicContact CG-CG1 4.19Å; I180-L210 HydrophobicContact CG2-CB 4.08Å; I180-L210 HydrophobicContact CG2-CD2 3.91Å; I180-L210 HydrophobicContact CG2-CG 3.72Å; I180-C211 CarbonylContact C-O 3.3Å; I180-C211 WeakPolarHBondContact CA-O 3.22Å; I180-L212 HydrophobicContact CG1-CD1 3.81Å; I180-L300 HydrophobicContact CD1-CD1 3.88Å; I180-L300 HydrophobicContact CD1-CD2 4.03Å; I180-L300 HydrophobicContact CG1-CD2 4.47Å
181	I	87	Confident	71.2	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	133.8	164.2	-49.4	-174.6	0	0	0	108.4	T140 T142 Y183 L210 C211 L213 V224	T140-I181 HydrophobicContact CG2-CG2 3.28Å; T142-I181 HydrophobicContact CG2-CG1 4.19Å; I181-Y183 HydrophobicContact CB-CE2 4.44Å; I181-Y183 HydrophobicContact CG2-CD1 4.34Å; I181-Y183 HydrophobicContact CG2-CD2 4.21Å; I181-Y183 HydrophobicContact CG2-CE1 4.13Å; I181-Y183 HydrophobicContact CG2-CE2 3.99Å; I181-Y183 HydrophobicContact CG2-CG 4.4Å; I181-L210 WeakPolarHBondContact O-CA 3.45Å; I181-C211 HydrophobicContact CB-CB 4.31Å; I181-C211 PolarHBondContact N-O 3.49Å; I181-C211 PolarHBondContact O-N 3.27Å; I181-L213 HydrophobicContact CD1-CD1 3.76Å; I181-L213 HydrophobicContact CD1-CD2 3.98Å; I181-L213 HydrophobicContact CD1-CG 3.7Å; I181-L213 HydrophobicContact CG1-CD1 3.56Å; I181-L213 HydrophobicContact CG1-CG 3.74Å; I181-V224 HydrophobicContact CD1-CB 4.5Å; I181-V224 HydrophobicContact CD1-CG1 3.42Å; I181-V224 VanDerWaalsContact CD1-CG1 3.42Å
182	V	88.5	Confident	73.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	110.9	163.6	-176.8	0	0	0	0	108	F44 T140 F141 F143 Y208 L210	F44-V182 HydrophobicContact CE2-CG1 4.2Å; F44-V182 HydrophobicContact CZ-CG1 3.83Å; F44-V182 HydrophobicContact CZ-CG2 4.35Å; T140-V182 WeakPolarHBondContact CA-O 3.31Å; F141-V182 HydrophobicContact CD1-CB 3.83Å; F141-V182 HydrophobicContact CD1-CG1 4.12Å; F141-V182 HydrophobicContact CD1-CG2 4.49Å; F141-V182 HydrophobicContact CD2-CB 4.37Å; F141-V182 HydrophobicContact CD2-CG2 4.29Å; F141-V182 HydrophobicContact CE1-CB 3.54Å; F141-V182 HydrophobicContact CE1-CG1 3.51Å; F141-V182 HydrophobicContact CE1-CG2 3.95Å; F141-V182 HydrophobicContact CE2-CB 4.11Å; F141-V182 HydrophobicContact CE2-CG2 3.71Å; F141-V182 HydrophobicContact CG-CB 4.25Å; F141-V182 HydrophobicContact CZ-CB 3.7Å; F141-V182 HydrophobicContact CZ-CG1 3.89Å; F141-V182 HydrophobicContact CZ-CG2 3.53Å; F141-V182 PolarHBondContact N-O 3.32Å; F141-V182 PolarHBondContact O-N 2.9Å; F143-V182 HydrophobicContact CD1-CG2 3.81Å; F143-V182 HydrophobicContact CE1-CG2 3.46Å; F143-V182 VanDerWaalsContact CE1-CG2 3.46Å; V182-Y208 HydrophobicContact CG1-CD1 3.41Å; V182-Y208 VanDerWaalsContact CG1-CD1 3.41Å; V182-Y208 HydrophobicContact CG1-CE1 4.05Å; V182-Y208 HydrophobicContact CG1-CG 4.26Å; V182-L210 HydrophobicContact CB-CD1 4.32Å; V182-L210 HydrophobicContact CG1-CD1 4.01Å; V182-L210 HydrophobicContact CG2-CD1 3.84Å; V182-L210 HydrophobicContact CG2-CG 4.07Å
183	Y	85.5	Confident	75.7	Confident	28 Å²	28	41.9 Å²	41.9	11%	0.11	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	123.5	165.1	-61.5	-77.6	0	0	0	108.4	T140 I181 Y208 E209 C211 V224 Q225 C231	T140-Y183 HydrophobicContact CG2-CD1 4.1Å; T140-Y183 HydrophobicContact CG2-CE1 4.25Å; I181-Y183 HydrophobicContact CB-CE2 4.44Å; I181-Y183 HydrophobicContact CG2-CD1 4.34Å; I181-Y183 HydrophobicContact CG2-CD2 4.21Å; I181-Y183 HydrophobicContact CG2-CE1 4.13Å; I181-Y183 HydrophobicContact CG2-CE2 3.99Å; I181-Y183 HydrophobicContact CG2-CG 4.4Å; Y183-Y208 WeakPolarHBondContact O-CA 3.48Å; Y183-E209 PolarHBondContact N-O 3.32Å; Y183-E209 PolarHBondContact O-N 2.83Å; Y183-C211 HydrophobicContact CE2-CB 3.88Å; Y183-V224 PolarHBondContact OH-O 3.27Å; Y183-Q225 VanDerWaalsContact OH-C 3.32Å; Y183-Q225 PolarHBondContact OH-O 3Å; Y183-C231 PolarHBondContact OH-SG 3.47Å
184	R	85.2	Confident	77.4	Confident	49 Å²	49	38.6 Å²	38.6	19%	0.185	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121	178.1	-177.9	-174.1	177.5	-147.1	-17.2	109.4	P61 S139 N186 H206 Q207 Y208	P61-R184 VanDerWaalsContact CG-NH2 3.28Å; S139-R184 PolarHBondContact N-O 3.43Å; S139-R184 WeakPolarHBondContact O-CA 3.48Å; S139-R184 WeakPolarHBondContact O-CB 3.16Å; S139-R184 PolarHBondContact O-N 3.16Å; S139-R184 VanDerWaalsContact O-O 3.1Å; R184-N186 WeakPolarHBondContact CD-OD1 3.41Å; R184-N186 WeakPolarHBondContact CG-OD1 3.2Å; R184-N186 PolarHBondContact NE-OD1 3.31Å; R184-N186 PolarHBondContact NH2-ND2 3.05Å; R184-N186 PolarHBondContact NH2-OD1 2.96Å; R184-N186 VanDerWaalsContact NH2-OD1 3.12Å; R184-H206 PolarHBondContact NH2-CD2 2.69Å; R184-H206 VanDerWaalsContact NH2-CD2 3.28Å; R184-H206 PolarHBondContact NH2-NE2 2.72Å; R184-H206 VanDerWaalsContact NH2-NE2 3.14Å; R184-Q207 WeakPolarHBondContact CA-O 3.48Å; R184-Y208 HydrophobicContact CB-CD1 3.84Å; R184-Y208 HydrophobicContact CB-CE1 3.66Å; R184-Y208 HydrophobicContact CG-CD1 3.89Å; R184-Y208 HydrophobicContact CG-CE1 3.39Å; R184-Y208 PolarHBondContact NE-OH 2.68Å
185	V	82.3	Confident	78.8	Confident	23 Å²	23	36.9 Å²	36.9	14%	0.139	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123	171.7	-174.9	0	0	0	0	108.2	R136 H206 Q207	R136-V185 HydrophobicContact CG-CG1 4.14Å; V185-H206 WeakPolarHBondContact O-CA 3.34Å; V185-Q207 HydrophobicContact CB-CB 4.41Å; V185-Q207 PolarHBondContact N-O 2.81Å; V185-Q207 PolarHBondContact O-N 2.92Å
186	N	84	Confident	80.2	Confident	4 Å²	4	35 Å²	35	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	106.4	179.2	-59.8	-22.1	0	0	0	109.7	R136 E137 R184 H206	R136-N186 CarbonylContact C-O 3.48Å; R136-N186 VanDerWaalsContact CA-O 3.3Å; R136-N186 WeakPolarHBondContact CA-O 3.49Å; E137-N186 HydrophobicContact CB-CB 4.07Å; E137-N186 PolarHBondContact N-O 3.08Å; E137-N186 PolarHBondContact O-N 2.77Å; E137-N186 PolarHBondContact OE2-ND2 3.01Å; R184-N186 WeakPolarHBondContact CD-OD1 3.41Å; R184-N186 WeakPolarHBondContact CG-OD1 3.2Å; R184-N186 PolarHBondContact NE-OD1 3.31Å; R184-N186 PolarHBondContact NH2-ND2 3.05Å; R184-N186 PolarHBondContact NH2-OD1 2.96Å; R184-N186 VanDerWaalsContact NH2-OD1 3.12Å; N186-H206 PolarHBondContact OD1-CD2 2.66Å
187	N	82	Confident	81.1	Confident	3 Å²	3	31.6 Å²	31.6	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	112.4	174.2	-73.4	-5.6	0	0	0	108.2	I116 F120 R136 S204 V205	I116-N187 HydrophobicContact CG2-CB 3.8Å; F120-N187 HydrophobicContact CE2-CB 3.62Å; F120-N187 HydrophobicContact CZ-CB 3.68Å; R136-N187 WeakPolarHBondContact CD-OD1 3.43Å; R136-N187 WeakPolarHBondContact CG-OD1 3.38Å; N187-S204 CarbonylContact O-C 3.47Å; N187-S204 VanDerWaalsContact O-CA 3.22Å; N187-S204 WeakPolarHBondContact O-CA 3.48Å; N187-V205 PolarHBondContact N-O 2.92Å; N187-V205 PolarHBondContact O-N 3.01Å
188	V	82.7	Confident	81.6	Confident	35 Å²	35	34 Å²	34	21%	0.212	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	111.8	-179.5	-174	0	0	0	0	111.5	F120 G134 G135 R190	F120-V188 WeakPolarHBondContact CE1-O 3.39Å; G134-V188 CarbonylContact C-O 3.58Å; G134-V188 WeakPolarHBondContact CA-O 3.15Å; G135-V188 PolarHBondContact N-O 2.96Å; G135-V188 PolarHBondContact O-N 3.13Å; V188-R190 HydrophobicContact CG1-CG 4.45Å
189	V	80.9	Confident	81.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	142.6	172.5	-174.6	0	0	0	0	109.8	I116 L119 F120 L132 W201 N202 L203	I116-V189 HydrophobicContact CG2-CG2 3.83Å; L119-V189 HydrophobicContact CB-CG1 4.45Å; L119-V189 HydrophobicContact CB-CG2 4.07Å; L119-V189 HydrophobicContact CD1-CG1 4.34Å; L119-V189 HydrophobicContact CD1-CG2 4.31Å; F120-V189 HydrophobicContact CD1-CG2 3.92Å; F120-V189 HydrophobicContact CE1-CB 4.31Å; F120-V189 HydrophobicContact CE1-CG2 3.29Å; F120-V189 HydrophobicContact CZ-CG2 3.8Å; L132-V189 HydrophobicContact CD1-CG1 3.67Å; L132-V189 HydrophobicContact CD2-CG1 4.35Å; L132-V189 HydrophobicContact CG-CG1 4.07Å; V189-W201 HydrophobicContact CB-CZ3 4.4Å; V189-W201 HydrophobicContact CG1-CH2 3.91Å; V189-W201 HydrophobicContact CG1-CZ3 3.78Å; V189-N202 CarbonylContact O-C 3.55Å; V189-N202 WeakPolarHBondContact O-CA 3.28Å; V189-L203 PolarHBondContact N-O 3.26Å; V189-L203 PolarHBondContact O-N 3.1Å
190	R	82.9	Confident	81.3	Confident	101 Å²	101	38.3 Å²	38.3	38%	0.381	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.2	174.3	-60.7	169.2	-175.3	-82	-4.2	109.4	T133 V188 V192 E199 W201 N202	T133-R190 HydrophobicContact CG2-CB 3.97Å; T133-R190 PolarHBondContact N-O 3.01Å; T133-R190 PolarHBondContact O-N 3.26Å; V188-R190 HydrophobicContact CG1-CG 4.45Å; R190-V192 HydrophobicContact CB-CG2 4.43Å; R190-E199 WeakPolarHBondContact CD-OE2 3.4Å; R190-E199 WeakPolarHBondContact CG-OE2 3.18Å; R190-E199 IonicContact CZ-OE2 3.94Å; R190-E199 IonicContact NE-OE2 3.6Å; R190-E199 IonicContact NH1-OE1 3.84Å; R190-E199 PolarHBondContact NH1-OE1 3.23Å; R190-E199 IonicContact NH1-OE2 2.81Å; R190-E199 PolarHBondContact NH1-OE2 3.16Å; R190-W201 CarbonylContact C-O 3.55Å; R190-W201 WeakPolarHBondContact CA-O 3.34Å; R190-N202 HydrophobicContact CG-CB 3.91Å
191	A	79.3	Confident	81	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.8	162.7	0	0	0	0	0	109	L126 K200 W201	L126-A191 HydrophobicContact CD1-CB 4.37Å; A191-K200 PolarHBondContact O-N 2.89Å; A191-W201 HydrophobicContact CB-CD2 3.8Å; A191-W201 HydrophobicContact CB-CG 4.09Å; A191-W201 HydrophobicContact CB-CH2 4.44Å; A191-W201 HydrophobicContact CB-CZ2 3.71Å; A191-W201 VanDerWaalsContact CB-NE1 3.31Å; A191-W201 PolarHBondContact N-O 2.84Å
192	V	80	Confident	80.9	Confident	32 Å²	32	39.7 Å²	39.7	19%	0.194	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.1	-176.8	-179.5	0	0	0	0	108.9	S130 L131 T133 R190 A194 G197	S130-V192 WeakPolarHBondContact CA-O 3.39Å; L131-V192 PolarHBondContact N-O 2.78Å; L131-V192 PolarHBondContact O-N 3.25Å; T133-V192 HydrophobicContact CG2-CG2 3.87Å; R190-V192 HydrophobicContact CB-CG2 4.43Å; V192-A194 PolarHBondContact O-N 3Å; V192-G197 VanDerWaalsContact CG1-C 3.5Å; V192-G197 WeakPolarHBondContact CG1-O 3.37Å
193	S	76.7	Confident	80.7	Confident	19 Å²	19	39.7 Å²	39.7	13%	0.133	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	116.6	175.3	166.9	0	0	0	0	109.9	D129 S196 G197 I198	D129-S193 CarbonylContact O-C 3.45Å; D129-S193 WeakPolarHBondContact O-CA 3.49Å; S193-S196 WeakPolarHBondContact CB-OG 3.29Å; S193-S196 PolarHBondContact O-N 3.11Å; S193-S196 PolarHBondContact OG-OG 3.09Å; S193-G197 WeakPolarHBondContact O-CA 3.43Å; S193-G197 PolarHBondContact O-N 2.92Å; S193-I198 PolarHBondContact N-O 3.03Å
194	A	76.4	Confident	80.7	Confident	59 Å²	59	39 Å²	39	49%	0.488	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-38.3	-172.7	0	0	0	0	0	113.7	D129 V192	D129-A194 PolarHBondContact O-N 2.99Å; V192-A194 PolarHBondContact O-N 3Å
195	P	77.7	Confident	80.8	Confident	96 Å²	96	36.8 Å²	36.8	62%	0.623	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-26.3	175	-20	32.6	0	0	0	115	D129	D129-P195 HydrophobicContact CB-CG 4.32Å; D129-P195 WeakPolarHBondContact OD1-CG 3.36Å
196	S	80.6	Confident	81	Confident	65 Å²	65	36.6 Å²	36.6	46%	0.455	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-17.5	-167	70.4	0	0	0	0	115.3	S193 I198	S193-S196 WeakPolarHBondContact CB-OG 3.29Å; S193-S196 PolarHBondContact O-N 3.11Å; S193-S196 PolarHBondContact OG-OG 3.09Å; S196-I198 PolarHBondContact O-N 3.4Å; S196-I198 WeakPolarHBondContact OG-CB 3.44Å; S196-I198 WeakPolarHBondContact OG-CG1 3.23Å; S196-I198 PolarHBondContact OG-N 3.28Å
197	G	78.2	Confident	80.9	Confident	56 Å²	56	39.1 Å²	39.1	58%	0.577	23%	0.23	S	C	*	.			trans	69.9	4.1	-172.2	0	0	0	0	0	114.6	V192 S193	V192-G197 VanDerWaalsContact CG1-C 3.5Å; V192-G197 WeakPolarHBondContact CG1-O 3.37Å; S193-G197 WeakPolarHBondContact O-CA 3.43Å; S193-G197 PolarHBondContact O-N 2.92Å
198	I	78.3	Confident	81.2	Confident	113 Å²	113	39.4 Å²	39.4	58%	0.579	23%	0.231	S	C	*	.			trans	-77.6	128.3	-179.2	-60.7	172.9	0	0	0	109.6	S193 S196 K200	S193-I198 PolarHBondContact N-O 3.03Å; S196-I198 PolarHBondContact O-N 3.4Å; S196-I198 WeakPolarHBondContact OG-CB 3.44Å; S196-I198 WeakPolarHBondContact OG-CG1 3.23Å; S196-I198 PolarHBondContact OG-N 3.28Å; I198-K200 PolarHBondContact O-N 3.08Å
199	E	76.8	Confident	81.3	Confident	72 Å²	72	40.8 Å²	40.8	34%	0.336	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	119.1	170	-179.9	168.4	113.1	0	0	110.3	R190 N202	R190-E199 WeakPolarHBondContact CD-OE2 3.4Å; R190-E199 WeakPolarHBondContact CG-OE2 3.18Å; R190-E199 IonicContact CZ-OE2 3.94Å; R190-E199 IonicContact NE-OE2 3.6Å; R190-E199 IonicContact NH1-OE1 3.84Å; R190-E199 PolarHBondContact NH1-OE1 3.23Å; R190-E199 IonicContact NH1-OE2 2.81Å; R190-E199 PolarHBondContact NH1-OE2 3.16Å; E199-N202 WeakPolarHBondContact OE1-CB 3.4Å; E199-N202 PolarHBondContact OE1-ND2 2.87Å
200	K	76	Confident	81.7	Confident	45 Å²	45	41.1 Å²	41.1	20%	0.196	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-41.7	173.3	-71.1	-173.8	175.4	-167.6	0	111.4	A191 I198 D492 D496	A191-K200 PolarHBondContact O-N 2.89Å; I198-K200 PolarHBondContact O-N 3.08Å; K200-D492 PolarHBondContact NZ-O 3.14Å; K200-D496 WeakPolarHBondContact CD-OD2 3.38Å; K200-D496 WeakPolarHBondContact CE-OD2 3.5Å; K200-D496 IonicContact NZ-OD1 3.76Å; K200-D496 PolarHBondContact NZ-OD1 3.35Å; K200-D496 IonicContact NZ-OD2 3.3Å; K200-D496 PolarHBondContact NZ-OD2 3.03Å
201	W	80.4	Confident	81.7	Confident	1 Å²	1	36.5 Å²	36.5	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	160.5	174.9	57.6	-97.9	0	0	0	112.7	S67 L68 L71 L126 L132 V189 R190 A191 L500	S67-W201 VanDerWaalsContact OG-CA 3.29Å; S67-W201 WeakPolarHBondContact OG-CA 3.41Å; L68-W201 HydrophobicContact CB-CE3 4.43Å; L68-W201 HydrophobicContact CD1-CD2 3.56Å; L68-W201 HydrophobicContact CD1-CE3 3.6Å; L68-W201 HydrophobicContact CD1-CG 4.15Å; L68-W201 HydrophobicContact CD1-CH2 4.04Å; L68-W201 HydrophobicContact CD1-CZ2 3.99Å; L68-W201 HydrophobicContact CD1-CZ3 3.85Å; L71-W201 HydrophobicContact CD1-CB 4.36Å; L71-W201 HydrophobicContact CD1-CG 3.96Å; L126-W201 HydrophobicContact CD1-CZ2 3.78Å; L132-W201 HydrophobicContact CD1-CH2 3.76Å; L132-W201 HydrophobicContact CD1-CZ2 4.09Å; V189-W201 HydrophobicContact CB-CZ3 4.4Å; V189-W201 HydrophobicContact CG1-CH2 3.91Å; V189-W201 HydrophobicContact CG1-CZ3 3.78Å; R190-W201 CarbonylContact C-O 3.55Å; R190-W201 WeakPolarHBondContact CA-O 3.34Å; A191-W201 HydrophobicContact CB-CD2 3.8Å; A191-W201 HydrophobicContact CB-CG 4.09Å; A191-W201 HydrophobicContact CB-CH2 4.44Å; A191-W201 HydrophobicContact CB-CZ2 3.71Å; A191-W201 VanDerWaalsContact CB-NE1 3.31Å; A191-W201 PolarHBondContact N-O 2.84Å; W201-L500 HydrophobicContact CH2-CD1 3.89Å; W201-L500 HydrophobicContact CZ2-CD1 3.65Å
202	N	84	Confident	81.9	Confident	32 Å²	32	36.6 Å²	36.6	17%	0.171	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	163.6	169.5	68	62.4	0	0	0	112.9	Q66 S67 L68 V189 R190 E199	Q66-N202 CarbonylContact C-O 3.57Å; Q66-N202 WeakPolarHBondContact CA-O 3.09Å; S67-N202 PolarHBondContact N-O 3.21Å; S67-N202 PolarHBondContact OG-N 3.02Å; L68-N202 PolarHBondContact N-O 3.38Å; V189-N202 CarbonylContact O-C 3.55Å; V189-N202 WeakPolarHBondContact O-CA 3.28Å; R190-N202 HydrophobicContact CG-CB 3.91Å; E199-N202 WeakPolarHBondContact OE1-CB 3.4Å; E199-N202 PolarHBondContact OE1-ND2 2.87Å
203	L	84.4	Confident	81.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	116.2	168.1	170.6	60.5	0	0	0	108.2	Q66 L68 P84 L90 I116 V189 V205	Q66-L203 HydrophobicContact CB-CD1 3.9Å; L68-L203 HydrophobicContact CD2-CD2 4.15Å; P84-L203 HydrophobicContact CB-CD1 3.93Å; P84-L203 HydrophobicContact CB-CD2 4.43Å; P84-L203 HydrophobicContact CG-CD1 3.86Å; L90-L203 HydrophobicContact CD2-CD2 3.73Å; I116-L203 HydrophobicContact CD1-CD1 4.45Å; I116-L203 HydrophobicContact CD1-CD2 3.73Å; I116-L203 HydrophobicContact CD1-CG 4.02Å; I116-L203 HydrophobicContact CG1-CD2 3.81Å; V189-L203 PolarHBondContact N-O 3.26Å; V189-L203 PolarHBondContact O-N 3.1Å; L203-V205 HydrophobicContact CD1-CG2 4.12Å
204	S	86.1	Confident	81	Confident	15 Å²	15	37.7 Å²	37.7	11%	0.105	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.4	167.9	62.6	0	0	0	0	111.3	V64 S65 N187	V64-S204 WeakPolarHBondContact CA-O 3.24Å; S65-S204 PolarHBondContact N-O 2.87Å; S65-S204 PolarHBondContact O-N 3.37Å; S65-S204 PolarHBondContact O-OG 3.38Å; N187-S204 CarbonylContact O-C 3.47Å; N187-S204 VanDerWaalsContact O-CA 3.22Å; N187-S204 WeakPolarHBondContact O-CA 3.48Å
205	V	87	Confident	80	Confident	1 Å²	1	37 Å²	37	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133	169.3	176.4	0	0	0	0	109.3	L63 V64 L86 I116 N187 L203	L63-V205 CarbonylContact O-C 3.54Å; L63-V205 VanDerWaalsContact O-CA 3.3Å; L63-V205 WeakPolarHBondContact O-CA 3.45Å; V64-V205 HydrophobicContact CG1-CG2 4.49Å; V64-V205 HydrophobicContact CG2-CG2 4.33Å; L86-V205 WeakPolarHBondContact O-CG1 3.23Å; I116-V205 HydrophobicContact CD1-CB 3.79Å; I116-V205 HydrophobicContact CD1-CG2 3.31Å; N187-V205 PolarHBondContact N-O 2.92Å; N187-V205 PolarHBondContact O-N 3.01Å; L203-V205 HydrophobicContact CD1-CG2 4.12Å
206	H	86.2	Confident	78.7	Confident	20 Å²	20	35 Å²	35	9%	0.093	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.2	-179.2	-53.8	118.2	0	0	0	110.4	P62 L63 R184 V185 N186	P62-H206 PolarHBondContact O-CE1 3.47Å; P62-H206 PolarHBondContact O-ND1 3.42Å; L63-H206 HydrophobicContact CD2-CB 4.4Å; L63-H206 PolarHBondContact O-N 3.28Å; R184-H206 PolarHBondContact NH2-CD2 2.69Å; R184-H206 VanDerWaalsContact NH2-CD2 3.28Å; R184-H206 PolarHBondContact NH2-NE2 2.72Å; R184-H206 VanDerWaalsContact NH2-NE2 3.14Å; V185-H206 WeakPolarHBondContact O-CA 3.34Å; N186-H206 PolarHBondContact OD1-CD2 2.66Å
207	Q	83.1	Confident	77.3	Confident	56 Å²	56	34 Å²	34	26%	0.262	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.7	177.3	-69.2	171.5	0.1	0	0	110.4	L86 D87 R184 V185	L86-Q207 WeakPolarHBondContact O-CG 3.49Å; L86-Q207 PolarHBondContact O-NE2 2.85Å; D87-Q207 VanDerWaalsContact CA-NE2 3.31Å; D87-Q207 PolarHBondContact O-NE2 3Å; R184-Q207 WeakPolarHBondContact CA-O 3.48Å; V185-Q207 HydrophobicContact CB-CB 4.41Å; V185-Q207 PolarHBondContact N-O 2.81Å; V185-Q207 PolarHBondContact O-N 2.92Å
208	Y	87.2	Confident	75.9	Confident	9 Å²	9	33.8 Å²	33.8	4%	0.035	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.2	-178.9	-71.4	-65.9	0	0	0	111.1	N38 F44 L63 F141 V182 Y183 R184	N38-Y208 WeakPolarHBondContact ND2-CD2 3.44Å; F44-Y208 HydrophobicContact CE2-CD1 4.01Å; F44-Y208 HydrophobicContact CE2-CD2 4.14Å; F44-Y208 HydrophobicContact CE2-CE1 4.04Å; F44-Y208 HydrophobicContact CE2-CE2 4.22Å; F44-Y208 HydrophobicContact CE2-CG 4.04Å; F44-Y208 AromaticContact CZ-CD1 3.9Å; F44-Y208 HydrophobicContact CZ-CD1 3.9Å; F44-Y208 HydrophobicContact CZ-CD2 4.04Å; F44-Y208 HydrophobicContact CZ-CE1 4.41Å; F44-Y208 AromaticContact CZ-CG 3.67Å; F44-Y208 HydrophobicContact CZ-CG 3.67Å; L63-Y208 HydrophobicContact CD2-CD2 3.51Å; L63-Y208 HydrophobicContact CD2-CE2 3.34Å; F141-Y208 HydrophobicContact CE1-CE1 4.22Å; V182-Y208 HydrophobicContact CG1-CD1 3.41Å; V182-Y208 VanDerWaalsContact CG1-CD1 3.41Å; V182-Y208 HydrophobicContact CG1-CE1 4.05Å; V182-Y208 HydrophobicContact CG1-CG 4.26Å; Y183-Y208 WeakPolarHBondContact O-CA 3.48Å; R184-Y208 HydrophobicContact CB-CD1 3.84Å; R184-Y208 HydrophobicContact CB-CE1 3.66Å; R184-Y208 HydrophobicContact CG-CD1 3.89Å; R184-Y208 HydrophobicContact CG-CE1 3.39Å; R184-Y208 PolarHBondContact NE-OH 2.68Å
209	E	85.1	Confident	74.4	Confident	65 Å²	65	35.6 Å²	35.6	30%	0.304	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.8	174	-71.5	-58.3	149.9	0	0	110.3	Y183 K289	Y183-E209 PolarHBondContact N-O 3.32Å; Y183-E209 PolarHBondContact O-N 2.83Å; E209-K289 IonicContact OE1-NZ 2.77Å; E209-K289 PolarHBondContact OE1-NZ 3.18Å
210	L	88.5	Confident	72.9	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.5	-175.7	-87.9	59.1	0	0	0	111.8	I36 F44 F143 I180 I181 V182 W291 L300	I36-L210 HydrophobicContact CG2-CD2 3.96Å; F44-L210 HydrophobicContact CE1-CD1 3.63Å; F44-L210 HydrophobicContact CE1-CD2 4.31Å; F44-L210 HydrophobicContact CZ-CD1 3.94Å; F143-L210 HydrophobicContact CZ-CD2 4.41Å; I180-L210 HydrophobicContact CG2-CB 4.08Å; I180-L210 HydrophobicContact CG2-CD2 3.91Å; I180-L210 HydrophobicContact CG2-CG 3.72Å; I181-L210 WeakPolarHBondContact O-CA 3.45Å; V182-L210 HydrophobicContact CB-CD1 4.32Å; V182-L210 HydrophobicContact CG1-CD1 4.01Å; V182-L210 HydrophobicContact CG2-CD1 3.84Å; V182-L210 HydrophobicContact CG2-CG 4.07Å; L210-W291 HydrophobicContact CB-CD2 4.41Å; L210-W291 HydrophobicContact CB-CZ2 4.32Å; L210-W291 HydrophobicContact CD1-CH2 3.86Å; L210-W291 HydrophobicContact CD1-CZ2 4.04Å; L210-W291 HydrophobicContact CD1-CZ3 4.15Å; L210-W291 HydrophobicContact CD2-CD2 3.98Å; L210-W291 HydrophobicContact CD2-CE3 3.89Å; L210-W291 HydrophobicContact CD2-CG 4.44Å; L210-W291 HydrophobicContact CD2-CZ3 4.23Å; L210-L300 HydrophobicContact CB-CD2 3.86Å
211	C	83.5	Confident	71.4	Confident	4 Å²	4	34.4 Å²	34.4	3%	0.027	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.6	173	140.7	0	0	0	0	109.2	I180 I181 Y183 C231	I180-C211 CarbonylContact C-O 3.3Å; I180-C211 WeakPolarHBondContact CA-O 3.22Å; I181-C211 HydrophobicContact CB-CB 4.31Å; I181-C211 PolarHBondContact N-O 3.49Å; I181-C211 PolarHBondContact O-N 3.27Å; Y183-C211 HydrophobicContact CE2-CB 3.88Å; C211-C231 HydrophobicContact CB-CB 3.91Å; C211-C231 WeakPolarHBondContact CB-SG 3.31Å; C211-C231 WeakPolarHBondContact SG-CA 2.86Å; C211-C231 WeakPolarHBondContact SG-CB 3.43Å; C211-C231 CovalentContact SG-SG 2.04Å; C211-C231 PolarHBondContact SG-SG 3.39Å
212	L	83.2	Confident	69.5	Low	2 Å²	2	38.7 Å²	38.7	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127	170.9	-177.5	68.7	0	0	0	110.1	P178 I180 T214 Y293 Q298 L300	P178-L212 HydrophobicContact CB-CD1 4.43Å; I180-L212 HydrophobicContact CG1-CD1 3.81Å; L212-T214 HydrophobicContact CD2-CG2 4.33Å; L212-T214 HydrophobicContact CG-CG2 4.46Å; L212-Y293 HydrophobicContact CD1-CD2 4.38Å; L212-Y293 HydrophobicContact CD1-CE2 3.85Å; L212-Y293 HydrophobicContact CD2-CD2 4.29Å; L212-Y293 HydrophobicContact CD2-CE2 3.76Å; L212-Y293 HydrophobicContact CG-CE2 4.49Å; L212-Q298 WeakPolarHBondContact CD2-O 3.49Å; L212-L300 HydrophobicContact CB-CB 4.03Å; L212-L300 HydrophobicContact CB-CD2 4.49Å; L212-L300 HydrophobicContact CD2-CB 4.5Å
213	L	74.9	Confident	67.4	Low	7 Å²	7	38.5 Å²	38.5	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	120.1	167.3	-77.5	159.7	0	0	0	110.1	T179 I181 I217 I230	T179-L213 HydrophobicContact CG2-CD1 4.14Å; T179-L213 WeakPolarHBondContact O-CB 3.47Å; T179-L213 PolarHBondContact O-N 3.41Å; I181-L213 HydrophobicContact CD1-CD1 3.76Å; I181-L213 HydrophobicContact CD1-CD2 3.98Å; I181-L213 HydrophobicContact CD1-CG 3.7Å; I181-L213 HydrophobicContact CG1-CD1 3.56Å; I181-L213 HydrophobicContact CG1-CG 3.74Å; L213-I217 HydrophobicContact CD1-CD1 4.06Å; L213-I217 HydrophobicContact CD1-CG1 3.7Å; L213-I230 HydrophobicContact CD2-CB 4.09Å; L213-I230 HydrophobicContact CD2-CG2 3.59Å
214	T	63.6	Low	65.6	Low	67 Å²	67	39.4 Å²	39.4	41%	0.411	25%	0.253	S	S	.	.			trans	-105.8	76.6	167.3	53.6	0	0	0	0	109.4	L212	L212-T214 HydrophobicContact CD2-CG2 4.33Å; L212-T214 HydrophobicContact CG-CG2 4.46Å
215	G	54.9	Low	63.8	Low	44 Å²	44	42.4 Å²	42.4	45%	0.454	27%	0.266	S	S	.	.	S	Bend	trans	150.3	165.6	-179.6	0	0	0	0	0	113.1
216	G	50	Low	61.7	Low	55 Å²	55	48.5 Å²	48.5	57%	0.567	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-64.9	140	175.1	0	0	0	0	0	112.1	P218	G216-P218 WeakPolarHBondContact O-CD 3.18Å
217	I	52.2	Low	59.6	Low	45 Å²	45	53.4 Å²	53.4	23%	0.231	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-69.4	126.7	179.9	-60.6	166.1	0	0	0	109.3	Y152 L213 T221	Y152-I217 HydrophobicContact CD2-CD1 3.92Å; Y152-I217 HydrophobicContact CE2-CD1 3.75Å; L213-I217 HydrophobicContact CD1-CD1 4.06Å; L213-I217 HydrophobicContact CD1-CG1 3.7Å; I217-T221 HydrophobicContact CG2-CG2 3.59Å
218	P	48.1	Very low	57.7	Low	50 Å²	50	51.6 Å²	51.6	33%	0.325	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-57.4	141.5	172.8	-24.8	35.1	0	0	0	111.5	G216 P220 I230	G216-P218 WeakPolarHBondContact O-CD 3.18Å; P218-P220 VanDerWaalsContact C-CD 3.42Å; P218-P220 VanDerWaalsContact C-N 3.26Å; P218-P220 CarbonylContact O-C 3.6Å; P218-I230 HydrophobicContact CG-CD1 3.78Å
219	T	47.8	Very low	55.6	Low	151 Å²	151	57.3 Å²	57.3	93%	0.926	36%	0.355	S	S	*	.	S	Bend	trans	-60.8	-16.3	-169.5	41.4	0	0	0	0	116.8
220	P	44.5	Very low	53.9	Low	56 Å²	56	56.5 Å²	56.5	36%	0.364	35%	0.353	S	S	.	.			trans	-100.6	102.2	155.7	33.4	-25.6	0	0	0	111.2	P218 T222 A223	P218-P220 VanDerWaalsContact C-CD 3.42Å; P218-P220 VanDerWaalsContact C-N 3.26Å; P218-P220 CarbonylContact O-C 3.6Å; P220-T222 PolarHBondContact O-N 3.15Å; P220-T222 VanDerWaalsContact O-N 3.07Å; P220-A223 WeakPolarHBondContact O-CB 3.2Å; P220-A223 PolarHBondContact O-N 3.24Å; P220-A223 VanDerWaalsContact O-N 3.11Å
221	T	43.9	Very low	52	Low	36 Å²	36	56.7 Å²	56.7	22%	0.221	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-56.9	-22.6	176.3	10	0	0	0	0	113.9	C159 I217 A223 V224	C159-T221 VanDerWaalsContact SG-CB 3.56Å; C159-T221 PolarHBondContact SG-OG1 3.45Å; I217-T221 HydrophobicContact CG2-CG2 3.59Å; T221-A223 PolarHBondContact O-N 3.37Å; T221-V224 PolarHBondContact O-N 3.08Å
222	T	41.7	Very low	50.5	Low	91 Å²	91	60.9 Å²	60.9	56%	0.558	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-63.4	-14.1	175.7	43	0	0	0	0	114.4	P220 V224	P220-T222 PolarHBondContact O-N 3.15Å; P220-T222 VanDerWaalsContact O-N 3.07Å; T222-V224 VanDerWaalsContact C-N 3.35Å
223	A	40.2	Very low	48.5	Very low	29 Å²	29	63.9 Å²	63.9	24%	0.24	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-78.5	-13.2	176.3	0	0	0	0	0	114.2	P220 T221 Q225	P220-A223 WeakPolarHBondContact O-CB 3.2Å; P220-A223 PolarHBondContact O-N 3.24Å; P220-A223 VanDerWaalsContact O-N 3.11Å; T221-A223 PolarHBondContact O-N 3.37Å; A223-Q225 PolarHBondContact O-N 2.86Å; A223-Q225 VanDerWaalsContact O-N 3.11Å
224	V	46.8	Very low	46.7	Very low	19 Å²	19	65.9 Å²	65.9	12%	0.115	41%	0.408	C	S	.	.			trans	-86.6	89.5	-170.4	-165.6	0	0	0	0	111.3	I181 Y183 T221 T222	I181-V224 HydrophobicContact CD1-CB 4.5Å; I181-V224 HydrophobicContact CD1-CG1 3.42Å; I181-V224 VanDerWaalsContact CD1-CG1 3.42Å; Y183-V224 PolarHBondContact OH-O 3.27Å; T221-V224 PolarHBondContact O-N 3.08Å; T222-V224 VanDerWaalsContact C-N 3.35Å
225	Q	47.1	Very low	45.2	Very low	77 Å²	77	68.9 Å²	68.9	36%	0.36	42%	0.421	S	S	.	.			trans	-91.9	160.3	177.7	-61.2	-173.4	-4.2	0	0	112.2	Y183 A223 T227 S228	Y183-Q225 VanDerWaalsContact OH-C 3.32Å; Y183-Q225 PolarHBondContact OH-O 3Å; A223-Q225 PolarHBondContact O-N 2.86Å; A223-Q225 VanDerWaalsContact O-N 3.11Å; Q225-T227 PolarHBondContact O-N 2.7Å; Q225-S228 VanDerWaalsContact O-CB 3.25Å; Q225-S228 WeakPolarHBondContact O-CB 3.42Å; Q225-S228 PolarHBondContact O-N 3.45Å; Q225-S228 PolarHBondContact O-OG 3.24Å
226	K	42.8	Very low	44	Very low	130 Å²	130	70.8 Å²	70.8	57%	0.565	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-24.6	177.3	-167.4	178.9	-177.5	-177.4	0	113.7	V233	K226-V233 WeakPolarHBondContact O-CG2 3.35Å
227	T	42.2	Very low	42.9	Very low	123 Å²	123	71.5 Å²	71.5	76%	0.755	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	6.6	178	50.5	0	0	0	0	113.9	Q225	Q225-T227 PolarHBondContact O-N 2.7Å
228	S	44	Very low	41.7	Very low	17 Å²	17	74 Å²	74	12%	0.119	45%	0.453	C	S	.	.			trans	-71.4	139.1	179.4	65.7	0	0	0	0	111.2	Q225 I230 C231	Q225-S228 VanDerWaalsContact O-CB 3.25Å; Q225-S228 WeakPolarHBondContact O-CB 3.42Å; Q225-S228 PolarHBondContact O-N 3.45Å; Q225-S228 PolarHBondContact O-OG 3.24Å; S228-I230 PolarHBondContact O-N 2.99Å; S228-C231 PolarHBondContact O-N 2.91Å
229	P	42.5	Very low	40.6	Very low	129 Å²	129	80.1 Å²	80.1	84%	0.838	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	0.7	-176.8	30.3	-37.1	0	0	0	114.1
230	I	50.2	Low	39.6	Very low	49 Å²	49	79.1 Å²	79.1	25%	0.251	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-15.3	173.6	-28.9	179.8	0	0	0	111	L213 P218 S228	L213-I230 HydrophobicContact CD2-CB 4.09Å; L213-I230 HydrophobicContact CD2-CG2 3.59Å; P218-I230 HydrophobicContact CG-CD1 3.78Å; S228-I230 PolarHBondContact O-N 2.99Å
231	C	48.2	Very low	38.8	Very low	10 Å²	10	86.2 Å²	86.2	7%	0.068	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116	169.2	-83.1	0	0	0	0	110.6	Y183 C211 S228 V233	Y183-C231 PolarHBondContact OH-SG 3.47Å; C211-C231 HydrophobicContact CB-CB 3.91Å; C211-C231 WeakPolarHBondContact CB-SG 3.31Å; C211-C231 WeakPolarHBondContact SG-CA 2.86Å; C211-C231 WeakPolarHBondContact SG-CB 3.43Å; C211-C231 CovalentContact SG-SG 2.04Å; C211-C231 PolarHBondContact SG-SG 3.39Å; S228-C231 PolarHBondContact O-N 2.91Å; C231-V233 HydrophobicContact CB-CG2 4.08Å; C231-V233 PolarHBondContact O-N 3.33Å
232	N	51	Low	38.2	Very low	92 Å²	92	94 Å²	94	49%	0.492	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	83.9	155.2	-81.9	-29.2	0	0	0	108.5
233	V	41.6	Very low	37.5	Very low	64 Å²	64	98.9 Å²	98.9	39%	0.388	54%	0.543	S	S	.	.			trans	-64.6	128.5	169.7	-179	0	0	0	0	107.9	K226 C231 L235	K226-V233 WeakPolarHBondContact O-CG2 3.35Å; C231-V233 HydrophobicContact CB-CG2 4.08Å; C231-V233 PolarHBondContact O-N 3.33Å; V233-L235 HydrophobicContact CB-CD1 4.2Å; V233-L235 HydrophobicContact CG1-CD1 4.35Å; V233-L235 WeakPolarHBondContact O-CD1 3.28Å; V233-L235 PolarHBondContact O-N 3.49Å
234	P	37.2	Very low	36.9	Very low	49 Å²	49	107.5 Å²	107.5	32%	0.318	58%	0.575	S	S	.	*			trans	-68.6	91.7	176.3	-19.4	32.9	0	0	0	110.9	G236 P302	P234-G236 PolarHBondContact O-N 2.89Å; P234-P302 VanDerWaalsContact CB-CD 3.49Å; P234-P302 HydrophobicContact CB-CG 4.17Å
235	L	32.6	Very low	35.9	Very low	131 Å²	131	112.5 Å²	112.5	69%	0.686	61%	0.606	S	S	*	*			trans	-66.8	105.4	178.3	-100.2	74.6	0	0	0	110.6	V233 T237	V233-L235 HydrophobicContact CB-CD1 4.2Å; V233-L235 HydrophobicContact CG1-CD1 4.35Å; V233-L235 WeakPolarHBondContact O-CD1 3.28Å; V233-L235 PolarHBondContact O-N 3.49Å; L235-T237 HydrophobicContact CB-CG2 4.41Å; L235-T237 HydrophobicContact CD2-CG2 4.31Å; L235-T237 PolarHBondContact O-N 2.89Å
236	G	29.2	Very low	35	Very low	84 Å²	84	115.2 Å²	115.2	87%	0.866	62%	0.623	S	S	*	*			trans	-70.8	64.7	169	0	0	0	0	0	112.4	P234	P234-G236 PolarHBondContact O-N 2.89Å
237	T	27.7	Very low	34.1	Very low	70 Å²	70	118.7 Å²	118.7	43%	0.429	64%	0.641	S	S	.	*			trans	-111.9	127.4	176.1	57.4	0	0	0	0	111.7	L235	L235-T237 HydrophobicContact CB-CG2 4.41Å; L235-T237 HydrophobicContact CD2-CG2 4.31Å; L235-T237 PolarHBondContact O-N 2.89Å
238	P	25.8	Very low	33.4	Very low	96 Å²	96	117.4 Å²	117.4	62%	0.623	64%	0.637	S	S	*	*			trans	-75.6	140	-179.1	29.7	-34.6	0	0	0	113.2
239	H	26.6	Very low	32.7	Very low	180 Å²	180	125.2 Å²	125.2	83%	0.833	67%	0.669	S	S	*	*			trans	57.4	80.6	157.9	-54.2	-54.8	0	0	0	120.1
240	T	27	Very low	32.2	Very low	130 Å²	130	125.2 Å²	125.2	80%	0.798	67%	0.666	S	S	*	*			trans	-140.2	57.1	151.9	42.9	0	0	0	0	113.5	K242	T240-K242 PolarHBondContact O-N 3.48Å
241	H	27.6	Very low	31.4	Very low	205 Å²	205	129.7 Å²	129.7	95%	0.949	69%	0.69	S	S	*	*			trans	-67.2	101.2	164.8	-94.4	-76.9	0	0	0	110.7
242	K	30.9	Very low	31.3	Very low	199 Å²	199	132.7 Å²	132.7	87%	0.865	70%	0.704	S	S	*	*			trans	-125.7	117.2	159	-88.3	-175.5	176.1	174.3	0	110.1	T240	T240-K242 PolarHBondContact O-N 3.48Å
243	K	26.5	Very low	31.6	Very low	194 Å²	194	135.9 Å²	135.9	84%	0.843	72%	0.716	S	S	*	*			trans	-49.8	139.1	-177.7	-55.9	177.7	172.6	-164.9	0	113.3
244	F	26.8	Very low	32.9	Very low	210 Å²	210	135.1 Å²	135.1	92%	0.921	71%	0.709	S	S	*	*				-163.6	167.5	128.3	-112.6	-73.5	0	0	0	110.6
245	V	27.7	Very low	34.7	Very low	124 Å²	124	133.8 Å²	133.8	75%	0.752	70%	0.7	S	S	*	*	S	Bend	trans	82.1	110.5	177.4	-167.3	0	0	0	0	116.7
246	D	26.3	Very low	36.9	Very low	134 Å²	134	129.8 Å²	129.8	72%	0.717	68%	0.679	S	S	*	*			trans	45	102.4	156.2	-59.6	-17.6	0	0	0	122.9	S248	D246-S248 PolarHBondContact O-N 2.92Å
247	E	25.5	Very low	39.5	Very low	203 Å²	203	126.4 Å²	126.4	95%	0.949	64%	0.64	S	S	*	*	S	Bend	trans	-74.1	62.6	162.6	-61.4	175.5	162	0	0	111.5
248	S	27.1	Very low	42.1	Very low	95 Å²	95	125.4 Å²	125.4	66%	0.664	63%	0.632	S	S	*	*			trans	-148	22.7	-179	68.3	0	0	0	0	117.2	D246	D246-S248 PolarHBondContact O-N 2.92Å
249	F	28.5	Very low	44.9	Very low	182 Å²	182	121.7 Å²	121.7	80%	0.798	61%	0.607	S	S	*	*	S	Bend	trans	-126.4	146.1	168.4	-129	-104.4	0	0	0	112	D251	F249-D251 PolarHBondContact O-N 2.77Å
250	V	31.6	Very low	47.6	Very low	129 Å²	129	113.7 Å²	113.7	78%	0.782	57%	0.573	S	S	*	*			trans	-78.6	107.2	-177.1	-179.8	0	0	0	0	109.5	M252	V250-M252 PolarHBondContact O-N 3.02Å
251	D	33.9	Very low	50.2	Low	142 Å²	142	107.5 Å²	107.5	76%	0.759	54%	0.535	S	S	*	.			trans	-60.2	104.1	166.5	-91.8	-37.3	0	0	0	109.6	F249 E253	F249-D251 PolarHBondContact O-N 2.77Å; D251-E253 PolarHBondContact O-N 2.87Å
252	M	46	Very low	52.6	Low	73 Å²	73	100 Å²	100	36%	0.36	50%	0.502	S	S	.	.			trans	-67.2	117.1	155.9	-74.8	-155.5	-48.1	0	0	107.9	Q32 K50 V250 E254	Q32-M252 HydrophobicContact CB-CE 4.27Å; Q32-M252 PolarHBondContact OE1-SD 3.4Å; K50-M252 WeakPolarHBondContact CE-SD 3.48Å; K50-M252 PolarHBondContact NZ-SD 3.43Å; V250-M252 PolarHBondContact O-N 3.02Å; M252-E254 PolarHBondContact O-N 3.06Å
253	E	58	Low	54.9	Low	159 Å²	159	96.8 Å²	96.8	74%	0.743	49%	0.488	S	S	*	.			trans	-57.9	111.7	167	-65.8	-162.1	134.3	0	0	109.3	D251	D251-E253 PolarHBondContact O-N 2.87Å
254	E	67.8	Low	57.8	Low	48 Å²	48	90.5 Å²	90.5	22%	0.224	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-61.1	142.5	174.6	-59.1	177.5	152.4	0	0	109.4	M252 K271 R294 R301	M252-E254 PolarHBondContact O-N 3.06Å; E254-K271 WeakPolarHBondContact O-CE 3.34Å; E254-K271 PolarHBondContact O-NZ 3.45Å; E254-R294 IonicContact OE1-CZ 3.94Å; E254-R294 IonicContact OE1-NH1 2.92Å; E254-R294 PolarHBondContact OE1-NH1 2.77Å; E254-R301 VanDerWaalsContact CD-NH2 3.3Å; E254-R301 IonicContact OE1-CZ 3.15Å; E254-R301 IonicContact OE1-NH1 3.81Å; E254-R301 PolarHBondContact OE1-NH1 3.39Å; E254-R301 IonicContact OE1-NH2 2.74Å; E254-R301 IonicContact OE2-CZ 2.7Å; E254-R301 IonicContact OE2-NH1 3.07Å; E254-R301 PolarHBondContact OE2-NH1 2.9Å; E254-R301 IonicContact OE2-NH2 2.69Å; E254-R301 PolarHBondContact OE2-NH2 2.88Å
255	P	76.8	Confident	60.7	Low	22 Å²	22	81.6 Å²	81.6	14%	0.143	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-64.7	158.4	-178.2	29	-36.2	0	0	0	111.5	W257 A268 R269 I278	P255-W257 HydrophobicContact CG-CD2 4.41Å; P255-W257 HydrophobicContact CG-CH2 3.78Å; P255-W257 HydrophobicContact CG-CZ2 3.53Å; P255-W257 HydrophobicContact CG-CZ3 4.3Å; P255-W257 PolarHBondContact O-NE1 2.71Å; P255-A268 HydrophobicContact CB-CB 3.98Å; P255-A268 HydrophobicContact CG-CB 4.05Å; P255-R269 WeakPolarHBondContact CA-O 3.34Å; P255-R269 WeakPolarHBondContact CB-O 3.38Å; P255-I278 HydrophobicContact CB-CD1 3.89Å
256	D	78.2	Confident	63.7	Low	46 Å²	46	75.7 Å²	75.7	25%	0.246	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	135.5	163.9	-171.2	37.8	0	0	0	108.9	R269 K271 R310	D256-R269 PolarHBondContact N-O 2.73Å; D256-R269 PolarHBondContact O-N 2.88Å; D256-K271 HydrophobicContact CB-CG 4.31Å; D256-R310 IonicContact OD2-CZ 3.45Å; D256-R310 IonicContact OD2-NE 2.73Å; D256-R310 PolarHBondContact OD2-NE 2.81Å; D256-R310 IonicContact OD2-NH2 3.76Å; D256-R310 PolarHBondContact OD2-NH2 3.36Å
257	W	84	Confident	66.7	Low	13 Å²	13	69.8 Å²	69.8	5%	0.049	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.9	-172.8	-60.7	97.3	0	0	0	110.4	L35 I49 P255 I266 A268 W279 I292 L303 M307	L35-W257 HydrophobicContact CD1-CE3 3.89Å; L35-W257 HydrophobicContact CD1-CH2 3.71Å; L35-W257 HydrophobicContact CD1-CZ2 4.39Å; L35-W257 HydrophobicContact CD1-CZ3 3.43Å; L35-W257 VanDerWaalsContact CD1-CZ3 3.43Å; I49-W257 HydrophobicContact CG2-CH2 4.23Å; I49-W257 HydrophobicContact CG2-CZ2 4.44Å; P255-W257 HydrophobicContact CG-CD2 4.41Å; P255-W257 HydrophobicContact CG-CH2 3.78Å; P255-W257 HydrophobicContact CG-CZ2 3.53Å; P255-W257 HydrophobicContact CG-CZ3 4.3Å; P255-W257 PolarHBondContact O-NE1 2.71Å; W257-I266 HydrophobicContact CE3-CG2 3.95Å; W257-I266 HydrophobicContact CZ3-CG2 4.28Å; W257-A268 HydrophobicContact CE3-CB 4.37Å; W257-A268 HydrophobicContact CZ3-CB 4.01Å; W257-W279 HydrophobicContact CH2-CH2 4.47Å; W257-W279 HydrophobicContact CH2-CZ2 4.07Å; W257-W279 AromaticContact CZ3-CH2 3.78Å; W257-W279 HydrophobicContact CZ3-CH2 3.78Å; W257-W279 AromaticContact CZ3-CZ2 3.72Å; W257-W279 HydrophobicContact CZ3-CZ2 3.72Å; W257-I292 HydrophobicContact CZ2-CD1 3.63Å; W257-I292 HydrophobicContact CZ2-CG1 4.44Å; W257-L303 HydrophobicContact CB-CD1 4.29Å; W257-L303 HydrophobicContact CD2-CD2 4.28Å; W257-L303 HydrophobicContact CG-CD1 3.95Å; W257-L303 HydrophobicContact CG-CD2 4.2Å; W257-M307 HydrophobicContact CB-SD 4.26Å
258	D	82.1	Confident	69.7	Low	49 Å²	49	60.1 Å²	60.1	26%	0.262	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	108.5	-176.8	-167.1	27.8	0	0	0	108.1	T267 R269 R310	D258-T267 PolarHBondContact N-O 3Å; D258-T267 PolarHBondContact O-N 3.26Å; D258-R269 HydrophobicContact CB-CG 4.22Å; D258-R269 IonicContact OD2-NH1 2.64Å; D258-R310 IonicContact OD1-CZ 3.9Å; D258-R310 IonicContact OD1-NE 2.9Å; D258-R310 IonicContact OD1-NH1 2.7Å; D258-R310 PolarHBondContact OD1-NH1 2.93Å; D258-R310 IonicContact OD2-NH1 3.62Å; D258-R310 PolarHBondContact OD2-NH1 3.07Å
259	I	84.4	Confident	72.4	Confident	19 Å²	19	57.6 Å²	57.6	10%	0.097	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	107.1	-165.2	-56.4	-178.9	0	0	0	109.4	L261 I266 I287 L303 L305	I259-L261 HydrophobicContact CG2-CD2 4.04Å; I259-I266 HydrophobicContact CG1-CG1 4.35Å; I259-I266 HydrophobicContact CG2-CG1 4.44Å; I259-I287 HydrophobicContact CG2-CD1 4.27Å; I259-L303 HydrophobicContact CD1-CD2 3.87Å; I259-L303 HydrophobicContact CD1-CG 4.12Å; I259-L305 HydrophobicContact CD1-CD2 3.89Å; I259-L305 HydrophobicContact CG2-CD2 4.13Å
260	G	82.3	Confident	74.8	Confident	11 Å²	11	51.4 Å²	51.4	11%	0.113	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	97.4	177.3	0	0	0	0	0	111.2	D262 K263 H264 T265	G260-D262 VanDerWaalsContact CA-OD1 3.31Å; G260-D262 WeakPolarHBondContact CA-OD1 3.24Å; G260-D262 PolarHBondContact O-N 3.32Å; G260-K263 PolarHBondContact O-N 2.89Å; G260-H264 WeakPolarHBondContact O-CA 3.31Å; G260-H264 PolarHBondContact O-N 3.35Å; G260-T265 PolarHBondContact N-O 2.87Å; G260-T265 PolarHBondContact O-N 3.46Å
261	L	82.9	Confident	76.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.8	175.4	-58.3	-179.9	0	0	0	112.3	I259 R286 I287 L305 F306 Y366 Y414	I259-L261 HydrophobicContact CG2-CD2 4.04Å; L261-R286 PolarHBondContact O-NE 2.86Å; L261-I287 HydrophobicContact CD2-CB 4.06Å; L261-I287 WeakPolarHBondContact CD2-O 3.48Å; L261-L305 HydrophobicContact CD1-CB 4.41Å; L261-L305 HydrophobicContact CD2-CB 4.4Å; L261-L305 HydrophobicContact CD2-CD1 4.23Å; L261-F306 HydrophobicContact CD1-CE1 4.38Å; L261-F306 HydrophobicContact CD1-CE2 4.36Å; L261-F306 HydrophobicContact CD1-CZ 4.02Å; L261-Y366 HydrophobicContact CB-CD1 4.36Å; L261-Y366 HydrophobicContact CB-CD2 3.86Å; L261-Y366 HydrophobicContact CB-CE1 4.35Å; L261-Y366 HydrophobicContact CB-CE2 3.84Å; L261-Y366 HydrophobicContact CB-CG 4.14Å; L261-Y366 HydrophobicContact CD1-CD2 4.42Å; L261-Y366 HydrophobicContact CD1-CG 4.17Å; L261-Y366 PolarHBondContact O-OH 3.12Å; L261-Y414 WeakPolarHBondContact CB-OH 3.46Å; L261-Y414 HydrophobicContact CD1-CE1 4.14Å; L261-Y414 WeakPolarHBondContact CG-OH 3.37Å; L261-Y414 PolarHBondContact N-OH 3.24Å; L261-Y414 VanDerWaalsContact N-OH 3.15Å
262	D	76.9	Confident	78.2	Confident	49 Å²	49	46.6 Å²	46.6	26%	0.262	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-43.3	169.1	63.4	-32.6	0	0	0	112.9	G260 Y366	G260-D262 VanDerWaalsContact CA-OD1 3.31Å; G260-D262 WeakPolarHBondContact CA-OD1 3.24Å; G260-D262 PolarHBondContact O-N 3.32Å; D262-Y366 WeakPolarHBondContact CA-OH 3.5Å; D262-Y366 HydrophobicContact CB-CE2 4.32Å
263	K	80	Confident	78.6	Confident	131 Å²	131	52.1 Å²	52.1	57%	0.57	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-10.2	-176.8	-67.1	163.4	-167.4	173	0	113.9	G260 T265	G260-K263 PolarHBondContact O-N 2.89Å; K263-T265 VanDerWaalsContact C-N 3.28Å; K263-T265 HydrophobicContact CB-CG2 4.08Å; K263-T265 WeakPolarHBondContact CB-OG1 3.28Å; K263-T265 PolarHBondContact O-N 3.41Å
264	H	86.6	Confident	78.9	Confident	61 Å²	61	52.8 Å²	52.8	28%	0.282	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	33.5	-170.1	-46.3	-179.4	0	0	0	112.6	G260 N282 F283 N284 S285 R286	G260-H264 WeakPolarHBondContact O-CA 3.31Å; G260-H264 PolarHBondContact O-N 3.35Å; H264-N282 PolarHBondContact O-OD1 3.21Å; H264-F283 HydrophobicContact CB-CB 4.33Å; H264-F283 VanDerWaalsContact CB-O 3.28Å; H264-F283 WeakPolarHBondContact CB-O 3.32Å; H264-F283 PolarHBondContact CE1-O 3.35Å; H264-F283 PolarHBondContact ND1-O 2.94Å; H264-F283 WeakPolarHBondContact O-CB 3.45Å; H264-F283 WeakPolarHBondContact O-CD2 3.39Å; H264-F283 PolarHBondContact O-N 2.69Å; H264-N284 PolarHBondContact CE1-O 3.43Å; H264-S285 PolarHBondContact CE1-N 3.21Å; H264-R286 WeakPolarHBondContact CD2-CG 3.32Å
265	T	88.9	Confident	78.9	Confident	23 Å²	23	52.4 Å²	52.4	14%	0.141	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.6	-173.7	52.1	0	0	0	0	113.3	G260 K263 Y281 N282	G260-T265 PolarHBondContact N-O 2.87Å; G260-T265 PolarHBondContact O-N 3.46Å; K263-T265 VanDerWaalsContact C-N 3.28Å; K263-T265 HydrophobicContact CB-CG2 4.08Å; K263-T265 WeakPolarHBondContact CB-OG1 3.28Å; K263-T265 PolarHBondContact O-N 3.41Å; T265-Y281 WeakPolarHBondContact CA-O 3.48Å; T265-N282 HydrophobicContact CG2-CB 4.13Å
266	I	89.9	Confident	79	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	129	157.8	-61.2	178.6	0	0	0	108	L35 A37 W257 I259 W279 Y281 F283 I287	L35-I266 HydrophobicContact CD1-CD1 4.41Å; L35-I266 HydrophobicContact CD1-CG2 4.16Å; L35-I266 HydrophobicContact CD2-CD1 3.86Å; A37-I266 HydrophobicContact CB-CD1 4.33Å; W257-I266 HydrophobicContact CE3-CG2 3.95Å; W257-I266 HydrophobicContact CZ3-CG2 4.28Å; I259-I266 HydrophobicContact CG1-CG1 4.35Å; I259-I266 HydrophobicContact CG2-CG1 4.44Å; I266-W279 HydrophobicContact CG2-CH2 4.44Å; I266-W279 HydrophobicContact CG2-CZ3 4.44Å; I266-Y281 PolarHBondContact N-O 3Å; I266-Y281 PolarHBondContact O-N 3.32Å; I266-F283 HydrophobicContact CB-CE2 4.04Å; I266-F283 HydrophobicContact CD1-CE2 3.79Å; I266-F283 HydrophobicContact CD1-CZ 3.86Å; I266-F283 HydrophobicContact CG1-CE2 3.7Å; I266-F283 HydrophobicContact CG1-CZ 4.3Å; I266-I287 HydrophobicContact CD1-CD1 4.09Å; I266-I287 HydrophobicContact CD1-CG1 4.48Å; I266-I287 HydrophobicContact CG1-CD1 3.62Å
267	T	88.8	Confident	79.3	Confident	10 Å²	10	61.1 Å²	61.1	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.3	-179.8	-53.7	0	0	0	0	109.3	D258 R269 E277 W279 S280	D258-T267 PolarHBondContact N-O 3Å; D258-T267 PolarHBondContact O-N 3.26Å; T267-R269 HydrophobicContact CG2-CG 4.1Å; T267-E277 VanDerWaalsContact CG2-CD 3.43Å; T267-E277 HydrophobicContact CG2-CG 3.56Å; T267-E277 WeakPolarHBondContact CG2-OE2 3.42Å; T267-W279 WeakPolarHBondContact CA-O 3.48Å; T267-S280 WeakPolarHBondContact OG1-CB 3.41Å; T267-S280 PolarHBondContact OG1-OG 3.01Å
268	A	88.6	Confident	79.4	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.8	174.9	0	0	0	0	0	109.4	P255 W257 I278 W279	P255-A268 HydrophobicContact CB-CB 3.98Å; P255-A268 HydrophobicContact CG-CB 4.05Å; W257-A268 HydrophobicContact CE3-CB 4.37Å; W257-A268 HydrophobicContact CZ3-CB 4.01Å; A268-I278 HydrophobicContact CB-CB 4.43Å; A268-I278 WeakPolarHBondContact O-CB 3.42Å; A268-I278 PolarHBondContact O-N 2.83Å; A268-W279 HydrophobicContact CB-CD2 3.84Å; A268-W279 VanDerWaalsContact CB-CE2 3.49Å; A268-W279 HydrophobicContact CB-CE3 4.42Å; A268-W279 HydrophobicContact CB-CG 4.22Å; A268-W279 HydrophobicContact CB-CH2 4.43Å; A268-W279 HydrophobicContact CB-CZ2 3.83Å; A268-W279 PolarHBondContact N-O 3.21Å
269	R	83.9	Confident	79.9	Confident	43 Å²	43	63.3 Å²	63.3	16%	0.162	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	155.7	-175.3	-51.3	-168.2	79.3	79.6	12.5	112.5	P255 D256 D258 T267 S275 E276 E277	P255-R269 WeakPolarHBondContact CA-O 3.34Å; P255-R269 WeakPolarHBondContact CB-O 3.38Å; D256-R269 PolarHBondContact N-O 2.73Å; D256-R269 PolarHBondContact O-N 2.88Å; D258-R269 HydrophobicContact CB-CG 4.22Å; D258-R269 IonicContact OD2-NH1 2.64Å; T267-R269 HydrophobicContact CG2-CG 4.1Å; R269-S275 PolarHBondContact NE-O 3.36Å; R269-S275 PolarHBondContact NE-OG 2.87Å; R269-S275 PolarHBondContact NH2-O 2.97Å; R269-E276 CarbonylContact C-O 3.47Å; R269-E276 WeakPolarHBondContact CA-O 3.41Å; R269-E276 WeakPolarHBondContact CB-O 3.19Å; R269-E277 IonicContact CZ-OE2 3.42Å; R269-E277 IonicContact NH1-OE2 3.14Å; R269-E277 PolarHBondContact NH1-OE2 3.27Å
270	T	79.6	Confident	80.1	Confident	52 Å²	52	65 Å²	65	32%	0.319	34%	0.34	S	S	.	.			trans	-72.1	147.4	172.6	61.9	0	0	0	0	111	Q274 S275 E276 I278	T270-Q274 PolarHBondContact OG1-O 3.08Å; T270-S275 WeakPolarHBondContact O-CA 3.39Å; T270-S275 WeakPolarHBondContact O-CB 3.36Å; T270-E276 HydrophobicContact CG2-CB 4.3Å; T270-E276 PolarHBondContact N-O 3.49Å; T270-E276 PolarHBondContact OG1-N 3.07Å; T270-I278 HydrophobicContact CG2-CD1 4.13Å; T270-I278 HydrophobicContact CG2-CG1 3.89Å
271	K	71.2	Confident	80.6	Confident	113 Å²	113	66.9 Å²	66.9	49%	0.491	34%	0.344	S	S	.	.	S	Bend	trans	-80.4	126.3	176.9	-78.1	167.7	168	159.1	0	110.6	E254 D256	E254-K271 WeakPolarHBondContact O-CE 3.34Å; E254-K271 PolarHBondContact O-NZ 3.45Å; D256-K271 HydrophobicContact CB-CG 4.31Å
272	G	64.4	Low	81.1	Confident	56 Å²	56	71.7 Å²	71.7	58%	0.577	37%	0.37	S	S	*	.	S	Bend	trans	149	-178.7	174.2	0	0	0	0	0	113.3	Q274	G272-Q274 PolarHBondContact O-N 3.21Å
273	L	55.3	Low	81.7	Confident	189 Å²	189	69.4 Å²	69.4	99%	0.99	36%	0.358	S	S	*	.	S	Bend	trans	-67.8	-18	175.4	-82.5	81.2	0	0	0	113.1
274	Q	63.4	Low	82	Confident	173 Å²	173	69.8 Å²	69.8	81%	0.808	37%	0.366	S	S	*	.	S	Bend	trans	-117.3	77.4	175.4	-69.2	177.6	-32.1	0	0	108.2	T270 G272 E276	T270-Q274 PolarHBondContact OG1-O 3.08Å; G272-Q274 PolarHBondContact O-N 3.21Å; Q274-E276 PolarHBondContact O-N 2.97Å; Q274-E276 VanDerWaalsContact O-N 3.12Å
275	S	69.2	Low	82	Confident	41 Å²	41	67.4 Å²	67.4	29%	0.287	36%	0.356	S	S	.	.			trans	-78.2	94.3	-178.1	71.2	0	0	0	0	111.7	R269 T270	R269-S275 PolarHBondContact NE-O 3.36Å; R269-S275 PolarHBondContact NE-OG 2.87Å; R269-S275 PolarHBondContact NH2-O 2.97Å; T270-S275 WeakPolarHBondContact O-CA 3.39Å; T270-S275 WeakPolarHBondContact O-CB 3.36Å
276	E	79.6	Confident	82	Confident	143 Å²	143	67.4 Å²	67.4	67%	0.668	35%	0.353	S	S	*	.			trans	-73.4	153.9	173.9	-63.1	-169.4	149.3	0	0	110.9	R269 T270 Q274	R269-E276 CarbonylContact C-O 3.47Å; R269-E276 WeakPolarHBondContact CA-O 3.41Å; R269-E276 WeakPolarHBondContact CB-O 3.19Å; T270-E276 HydrophobicContact CG2-CB 4.3Å; T270-E276 PolarHBondContact N-O 3.49Å; T270-E276 PolarHBondContact OG1-N 3.07Å; Q274-E276 PolarHBondContact O-N 2.97Å; Q274-E276 VanDerWaalsContact O-N 3.12Å
277	E	84	Confident	82	Confident	107 Å²	107	67.4 Å²	67.4	50%	0.5	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.7	178.7	-173.9	160.5	136	0	0	110.3	T267 R269 S280	T267-E277 VanDerWaalsContact CG2-CD 3.43Å; T267-E277 HydrophobicContact CG2-CG 3.56Å; T267-E277 WeakPolarHBondContact CG2-OE2 3.42Å; R269-E277 IonicContact CZ-OE2 3.42Å; R269-E277 IonicContact NH1-OE2 3.14Å; R269-E277 PolarHBondContact NH1-OE2 3.27Å; E277-S280 VanDerWaalsContact OE1-CB 3.23Å; E277-S280 WeakPolarHBondContact OE1-CB 3.37Å
278	I	86.3	Confident	82	Confident	87 Å²	87	67.4 Å²	67.4	45%	0.446	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-46.4	178.9	-51	172.1	0	0	0	109.3	P255 A268 T270	P255-I278 HydrophobicContact CB-CD1 3.89Å; A268-I278 HydrophobicContact CB-CB 4.43Å; A268-I278 WeakPolarHBondContact O-CB 3.42Å; A268-I278 PolarHBondContact O-N 2.83Å; T270-I278 HydrophobicContact CG2-CD1 4.13Å; T270-I278 HydrophobicContact CG2-CG1 3.89Å
279	W	91	Very high	82.1	Confident	21 Å²	21	69.2 Å²	69.2	8%	0.08	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	158.8	172.3	56	-101.9	0	0	0	110.4	L47 I49 G52 W257 I266 T267 A268	L47-W279 HydrophobicContact CD1-CH2 4.27Å; L47-W279 HydrophobicContact CD1-CZ3 4.18Å; I49-W279 PolarHBondContact O-NE1 3.47Å; G52-W279 VanDerWaalsContact CA-CE3 3.45Å; W257-W279 HydrophobicContact CH2-CH2 4.47Å; W257-W279 HydrophobicContact CH2-CZ2 4.07Å; W257-W279 AromaticContact CZ3-CH2 3.78Å; W257-W279 HydrophobicContact CZ3-CH2 3.78Å; W257-W279 AromaticContact CZ3-CZ2 3.72Å; W257-W279 HydrophobicContact CZ3-CZ2 3.72Å; I266-W279 HydrophobicContact CG2-CH2 4.44Å; I266-W279 HydrophobicContact CG2-CZ3 4.44Å; T267-W279 WeakPolarHBondContact CA-O 3.48Å; A268-W279 HydrophobicContact CB-CD2 3.84Å; A268-W279 VanDerWaalsContact CB-CE2 3.49Å; A268-W279 HydrophobicContact CB-CE3 4.42Å; A268-W279 HydrophobicContact CB-CG 4.22Å; A268-W279 HydrophobicContact CB-CH2 4.43Å; A268-W279 HydrophobicContact CB-CZ2 3.83Å; A268-W279 PolarHBondContact N-O 3.21Å
280	S	90.3	Very high	82.5	Confident	56 Å²	56	67.3 Å²	67.3	39%	0.392	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.3	171.6	-171.5	0	0	0	0	110.4	T267 E277	T267-S280 WeakPolarHBondContact OG1-CB 3.41Å; T267-S280 PolarHBondContact OG1-OG 3.01Å; E277-S280 VanDerWaalsContact OE1-CB 3.23Å; E277-S280 WeakPolarHBondContact OE1-CB 3.37Å
281	Y	92	Very high	83	Confident	49 Å²	49	65.1 Å²	65.1	19%	0.192	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.7	176.9	-172.4	-83.5	0	0	0	110.1	I45 L47 G52 L54 T265 I266 F283	I45-Y281 HydrophobicContact CG2-CE1 4.4Å; L47-Y281 HydrophobicContact CD1-CD1 3.79Å; L47-Y281 HydrophobicContact CD1-CD2 4.1Å; L47-Y281 HydrophobicContact CD1-CE1 4.49Å; L47-Y281 HydrophobicContact CD1-CG 3.56Å; L47-Y281 HydrophobicContact CD2-CD1 4.12Å; L47-Y281 HydrophobicContact CD2-CD2 3.65Å; L47-Y281 HydrophobicContact CD2-CE1 4.09Å; L47-Y281 HydrophobicContact CD2-CE2 3.61Å; L47-Y281 HydrophobicContact CD2-CG 3.92Å; L47-Y281 HydrophobicContact CG-CG 4.42Å; G52-Y281 WeakPolarHBondContact O-CD2 3.19Å; L54-Y281 HydrophobicContact CB-CE2 4.27Å; T265-Y281 WeakPolarHBondContact CA-O 3.48Å; I266-Y281 PolarHBondContact N-O 3Å; I266-Y281 PolarHBondContact O-N 3.32Å; Y281-F283 HydrophobicContact CD1-CD1 4.41Å; Y281-F283 AromaticContact CD1-CD2 3.71Å; Y281-F283 HydrophobicContact CD1-CD2 3.71Å; Y281-F283 HydrophobicContact CD1-CE1 4.26Å; Y281-F283 AromaticContact CD1-CE2 3.55Å; Y281-F283 HydrophobicContact CD1-CE2 3.55Å; Y281-F283 HydrophobicContact CD1-CG 4.15Å; Y281-F283 AromaticContact CD1-CZ 3.85Å; Y281-F283 HydrophobicContact CD1-CZ 3.85Å; Y281-F283 HydrophobicContact CE1-CD1 4.15Å; Y281-F283 HydrophobicContact CE1-CD2 4.19Å; Y281-F283 HydrophobicContact CE1-CE1 4.18Å; Y281-F283 HydrophobicContact CE1-CE2 4.23Å; Y281-F283 HydrophobicContact CE1-CG 4.14Å; Y281-F283 HydrophobicContact CE1-CZ 4.22Å
282	N	92.3	Very high	83.9	Confident	101 Å²	101	59.9 Å²	59.9	54%	0.54	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.8	179.2	-169.7	-8.1	0	0	0	110.3	H264 T265	H264-N282 PolarHBondContact O-OD1 3.21Å; T265-N282 HydrophobicContact CG2-CB 4.13Å
283	F	90.4	Very high	85.2	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	29%	0.292	C	S	.	.			trans	-98.5	138.8	-176.8	-68.6	-103.5	0	0	0	111.2	A37 T39 I45 L47 H264 I266 Y281 S285 I287	A37-F283 HydrophobicContact CB-CE1 3.61Å; A37-F283 HydrophobicContact CB-CZ 3.73Å; T39-F283 HydrophobicContact CG2-CB 4.13Å; T39-F283 HydrophobicContact CG2-CD1 3.59Å; T39-F283 HydrophobicContact CG2-CE1 4.41Å; T39-F283 HydrophobicContact CG2-CG 4.21Å; I45-F283 HydrophobicContact CB-CE1 4.02Å; I45-F283 HydrophobicContact CD1-CD1 3.86Å; I45-F283 HydrophobicContact CD1-CE1 4.11Å; I45-F283 HydrophobicContact CG2-CE1 3.92Å; L47-F283 HydrophobicContact CD1-CE2 4.42Å; L47-F283 HydrophobicContact CD1-CZ 3.95Å; H264-F283 HydrophobicContact CB-CB 4.33Å; H264-F283 VanDerWaalsContact CB-O 3.28Å; H264-F283 WeakPolarHBondContact CB-O 3.32Å; H264-F283 PolarHBondContact CE1-O 3.35Å; H264-F283 PolarHBondContact ND1-O 2.94Å; H264-F283 WeakPolarHBondContact O-CB 3.45Å; H264-F283 WeakPolarHBondContact O-CD2 3.39Å; H264-F283 PolarHBondContact O-N 2.69Å; I266-F283 HydrophobicContact CB-CE2 4.04Å; I266-F283 HydrophobicContact CD1-CE2 3.79Å; I266-F283 HydrophobicContact CD1-CZ 3.86Å; I266-F283 HydrophobicContact CG1-CE2 3.7Å; I266-F283 HydrophobicContact CG1-CZ 4.3Å; Y281-F283 HydrophobicContact CD1-CD1 4.41Å; Y281-F283 AromaticContact CD1-CD2 3.71Å; Y281-F283 HydrophobicContact CD1-CD2 3.71Å; Y281-F283 HydrophobicContact CD1-CE1 4.26Å; Y281-F283 AromaticContact CD1-CE2 3.55Å; Y281-F283 HydrophobicContact CD1-CE2 3.55Å; Y281-F283 HydrophobicContact CD1-CG 4.15Å; Y281-F283 AromaticContact CD1-CZ 3.85Å; Y281-F283 HydrophobicContact CD1-CZ 3.85Å; Y281-F283 HydrophobicContact CE1-CD1 4.15Å; Y281-F283 HydrophobicContact CE1-CD2 4.19Å; Y281-F283 HydrophobicContact CE1-CE1 4.18Å; Y281-F283 HydrophobicContact CE1-CE2 4.23Å; Y281-F283 HydrophobicContact CE1-CG 4.14Å; Y281-F283 HydrophobicContact CE1-CZ 4.22Å; F283-S285 WeakPolarHBondContact CB-O 3.23Å; F283-S285 PolarHBondContact O-N 3.02Å; F283-I287 HydrophobicContact CD1-CG1 4.38Å; F283-I287 HydrophobicContact CD2-CD1 3.92Å; F283-I287 HydrophobicContact CD2-CG1 4Å; F283-I287 HydrophobicContact CE2-CD1 4.11Å; F283-I287 HydrophobicContact CE2-CG1 4.21Å; F283-I287 HydrophobicContact CG-CD1 4.48Å; F283-I287 HydrophobicContact CG-CG1 4.1Å
284	N	86.1	Confident	86.6	Confident	140 Å²	140	50.2 Å²	50.2	75%	0.749	25%	0.251	S	S	*	.	S	Bend	trans	-61.9	-17.8	177.2	-66.5	3.4	0	0	0	113.5	H264	H264-N284 PolarHBondContact CE1-O 3.43Å
285	S	87.1	Confident	87.6	Confident	10 Å²	10	44.7 Å²	44.7	7%	0.07	22%	0.223	C	C	.	.	S	Bend	trans	-145.5	161.9	178.6	-176.8	0	0	0	0	109.8	T39 D41 H264 F283	T39-S285 WeakPolarHBondContact CG2-O 3.44Å; D41-S285 VanDerWaalsContact CG-CB 3.49Å; D41-S285 PolarHBondContact N-OG 2.89Å; D41-S285 VanDerWaalsContact OD2-CB 3.27Å; D41-S285 WeakPolarHBondContact OD2-CB 3.17Å; H264-S285 PolarHBondContact CE1-N 3.21Å; F283-S285 WeakPolarHBondContact CB-O 3.23Å; F283-S285 PolarHBondContact O-N 3.02Å
286	R	89.2	Confident	87.8	Confident	23 Å²	23	46 Å²	46	9%	0.087	23%	0.227	C	C	.	.			trans	-63.2	145.4	-176.2	-69.5	176.2	160.7	119.7	-6.8	111.4	T39 V40 L261 H264 Y366 S369 Y375 T412	T39-R286 CarbonylContact C-O 3.59Å; T39-R286 WeakPolarHBondContact CA-O 3.43Å; T39-R286 WeakPolarHBondContact CB-O 3.36Å; V40-R286 HydrophobicContact CG2-CB 4.22Å; V40-R286 WeakPolarHBondContact CG2-O 3.46Å; V40-R286 PolarHBondContact N-O 3.34Å; L261-R286 PolarHBondContact O-NE 2.86Å; H264-R286 WeakPolarHBondContact CD2-CG 3.32Å; R286-Y366 PolarHBondContact NE-OH 3.45Å; R286-Y366 PolarHBondContact NH2-OH 2.82Å; R286-S369 VanDerWaalsContact NH1-N 3.15Å; R286-S369 PolarHBondContact NH1-O 2.84Å; R286-Y375 WeakPolarHBondContact CB-OH 3.3Å; R286-Y375 WeakPolarHBondContact CD-OH 3.1Å; R286-T412 PolarHBondContact NH2-OG1 2.8Å
287	I	90.2	Very high	87.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.4	-179.3	-57.9	135	0	0	0	109.1	A37 I259 L261 I266 F283 L305 Q377	A37-I287 HydrophobicContact CB-CG2 4.42Å; I259-I287 HydrophobicContact CG2-CD1 4.27Å; L261-I287 HydrophobicContact CD2-CB 4.06Å; L261-I287 WeakPolarHBondContact CD2-O 3.48Å; I266-I287 HydrophobicContact CD1-CD1 4.09Å; I266-I287 HydrophobicContact CD1-CG1 4.48Å; I266-I287 HydrophobicContact CG1-CD1 3.62Å; F283-I287 HydrophobicContact CD1-CG1 4.38Å; F283-I287 HydrophobicContact CD2-CD1 3.92Å; F283-I287 HydrophobicContact CD2-CG1 4Å; F283-I287 HydrophobicContact CE2-CD1 4.11Å; F283-I287 HydrophobicContact CE2-CG1 4.21Å; F283-I287 HydrophobicContact CG-CD1 4.48Å; F283-I287 HydrophobicContact CG-CG1 4.1Å; I287-L305 HydrophobicContact CG2-CD1 4.1Å; I287-L305 HydrophobicContact CG2-CD2 3.88Å; I287-Q377 PolarHBondContact O-NE2 3.13Å
288	S	88.9	Confident	87.3	Confident	10 Å²	10	43.7 Å²	43.7	7%	0.07	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-44.9	176.6	-175.4	0	0	0	0	112.8	N38 L63 L86 L305 Q377	N38-S288 PolarHBondContact O-N 3.29Å; L63-S288 WeakPolarHBondContact CD1-OG 3.47Å; L86-S288 WeakPolarHBondContact CD1-OG 3.48Å; S288-L305 VanDerWaalsContact C-CD1 3.5Å; S288-L305 WeakPolarHBondContact O-CD1 3.25Å; S288-Q377 PolarHBondContact O-NE2 3.02Å
289	K	89.9	Confident	87	Confident	38 Å²	38	43.2 Å²	43.2	17%	0.165	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	154.4	179.5	-65.8	-155.2	-178.4	-156.6	0	109.8	N38 E209 W291 D380	N38-K289 PolarHBondContact N-O 3.37Å; N38-K289 PolarHBondContact O-N 3.27Å; E209-K289 IonicContact OE1-NZ 2.77Å; E209-K289 PolarHBondContact OE1-NZ 3.18Å; K289-W291 HydrophobicContact CB-CE3 4.44Å; K289-W291 HydrophobicContact CB-CH2 3.38Å; K289-W291 HydrophobicContact CB-CZ2 3.97Å; K289-W291 HydrophobicContact CB-CZ3 3.65Å; K289-W291 HydrophobicContact CD-CH2 3.97Å; K289-W291 HydrophobicContact CD-CZ2 3.96Å; K289-W291 HydrophobicContact CG-CH2 4.21Å; K289-D380 WeakPolarHBondContact CE-OD1 3.2Å; K289-D380 VanDerWaalsContact CE-OD2 3.3Å; K289-D380 WeakPolarHBondContact CE-OD2 3.47Å; K289-D380 WeakPolarHBondContact CG-OD2 3.12Å; K289-D380 IonicContact NZ-OD1 3.66Å; K289-D380 PolarHBondContact NZ-OD1 2.75Å; K289-D380 IonicContact NZ-OD2 2.69Å
290	A	91.4	Very high	86.7	Confident	3 Å²	3	42.5 Å²	42.5	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.3	174.2	0	0	0	0	0	111.9	I36 L303 L305	I36-A290 CarbonylContact O-C 3.52Å; I36-A290 WeakPolarHBondContact O-CA 3.42Å; A290-L303 HydrophobicContact CB-CB 4.11Å; A290-L303 HydrophobicContact CB-CD2 4.16Å; A290-L303 PolarHBondContact O-N 2.85Å; A290-L305 HydrophobicContact CB-CD2 3.92Å
291	W	91.7	Very high	86.3	Confident	6 Å²	6	43.8 Å²	43.8	2%	0.023	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156.6	176.8	-59.6	-98.5	0	0	0	110.1	I36 N38 F44 L210 K289 L300 R301	I36-W291 HydrophobicContact CG2-CE3 4.48Å; I36-W291 PolarHBondContact N-O 3.4Å; I36-W291 PolarHBondContact O-N 3.2Å; N38-W291 HydrophobicContact CB-CH2 4.5Å; N38-W291 HydrophobicContact CB-CZ3 3.95Å; F44-W291 HydrophobicContact CE1-CZ3 4.15Å; L210-W291 HydrophobicContact CB-CD2 4.41Å; L210-W291 HydrophobicContact CB-CZ2 4.32Å; L210-W291 HydrophobicContact CD1-CH2 3.86Å; L210-W291 HydrophobicContact CD1-CZ2 4.04Å; L210-W291 HydrophobicContact CD1-CZ3 4.15Å; L210-W291 HydrophobicContact CD2-CD2 3.98Å; L210-W291 HydrophobicContact CD2-CE3 3.89Å; L210-W291 HydrophobicContact CD2-CG 4.44Å; L210-W291 HydrophobicContact CD2-CZ3 4.23Å; K289-W291 HydrophobicContact CB-CE3 4.44Å; K289-W291 HydrophobicContact CB-CH2 3.38Å; K289-W291 HydrophobicContact CB-CZ2 3.97Å; K289-W291 HydrophobicContact CB-CZ3 3.65Å; K289-W291 HydrophobicContact CD-CH2 3.97Å; K289-W291 HydrophobicContact CD-CZ2 3.96Å; K289-W291 HydrophobicContact CG-CH2 4.21Å; W291-L300 HydrophobicContact CB-CD1 3.79Å; W291-L300 HydrophobicContact CB-CG 4.4Å; W291-L300 HydrophobicContact CG-CD1 4.46Å; W291-R301 CarbonylContact C-O 3.6Å; W291-R301 WeakPolarHBondContact CA-O 3.47Å; W291-R301 WeakPolarHBondContact CB-O 3.32Å
292	I	90.2	Very high	86	Confident	3 Å²	3	45 Å²	45	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.6	174	-73.7	168.1	0	0	0	107.6	L35 I49 W257 R294 R301 L303	L35-I292 HydrophobicContact CD1-CG1 4.5Å; L35-I292 HydrophobicContact CG-CG1 4.49Å; I49-I292 HydrophobicContact CD1-CG2 3.81Å; W257-I292 HydrophobicContact CZ2-CD1 3.63Å; W257-I292 HydrophobicContact CZ2-CG1 4.44Å; I292-R294 HydrophobicContact CG2-CG 4.37Å; I292-R301 HydrophobicContact CB-CG 3.95Å; I292-R301 HydrophobicContact CG2-CG 4.45Å; I292-R301 PolarHBondContact N-O 3.22Å; I292-R301 PolarHBondContact O-N 3.33Å; I292-L303 HydrophobicContact CD1-CD1 4.17Å; I292-L303 HydrophobicContact CD1-CD2 4.23Å
293	Y	90.4	Very high	85.6	Confident	3 Å²	3	41.2 Å²	41.2	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.6	172.5	176.4	-116.9	0	0	0	110	G33 V34 P145 P178 L212 R295 N299 L300	G33-Y293 CarbonylContact C-O 3.51Å; G33-Y293 WeakPolarHBondContact CA-O 3.48Å; V34-Y293 PolarHBondContact N-O 3.26Å; V34-Y293 PolarHBondContact O-N 3.29Å; P145-Y293 HydrophobicContact CB-CD1 3.61Å; P145-Y293 HydrophobicContact CB-CE1 3.85Å; P145-Y293 HydrophobicContact CB-CG 4.12Å; P145-Y293 HydrophobicContact CG-CD1 3.7Å; P145-Y293 HydrophobicContact CG-CE1 3.38Å; P145-Y293 HydrophobicContact CG-CE2 4.37Å; P145-Y293 HydrophobicContact CG-CG 4.3Å; P178-Y293 VanDerWaalsContact CB-OH 3.27Å; P178-Y293 WeakPolarHBondContact CB-OH 3.49Å; P178-Y293 WeakPolarHBondContact CG-OH 3.48Å; L212-Y293 HydrophobicContact CD1-CD2 4.38Å; L212-Y293 HydrophobicContact CD1-CE2 3.85Å; L212-Y293 HydrophobicContact CD2-CD2 4.29Å; L212-Y293 HydrophobicContact CD2-CE2 3.76Å; L212-Y293 HydrophobicContact CG-CE2 4.49Å; Y293-R295 HydrophobicContact CD1-CG 4.36Å; Y293-R295 HydrophobicContact CE1-CG 3.83Å; Y293-N299 CarbonylContact C-O 3.53Å; Y293-N299 WeakPolarHBondContact CA-O 3.34Å; Y293-N299 WeakPolarHBondContact CD2-O 2.85Å; Y293-L300 HydrophobicContact CD2-CB 4.49Å
294	R	86.2	Confident	85.1	Confident	39 Å²	39	43.5 Å²	43.5	15%	0.147	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.8	176.3	-89.1	-171.7	74.9	158.1	-3.3	109.9	E254 I292 D296 L297 Q298 N299	E254-R294 IonicContact OE1-CZ 3.94Å; E254-R294 IonicContact OE1-NH1 2.92Å; E254-R294 PolarHBondContact OE1-NH1 2.77Å; I292-R294 HydrophobicContact CG2-CG 4.37Å; R294-D296 VanDerWaalsContact CB-OD1 3.3Å; R294-D296 WeakPolarHBondContact CB-OD1 3.46Å; R294-D296 IonicContact CZ-OD1 3.98Å; R294-D296 IonicContact CZ-OD2 3.5Å; R294-D296 IonicContact NE-OD1 2.74Å; R294-D296 PolarHBondContact NE-OD1 2.89Å; R294-D296 VanDerWaalsContact NE-OD1 3.14Å; R294-D296 IonicContact NE-OD2 2.84Å; R294-D296 PolarHBondContact NE-OD2 2.96Å; R294-D296 IonicContact NH2-OD1 3.91Å; R294-D296 IonicContact NH2-OD2 2.72Å; R294-D296 PolarHBondContact NH2-OD2 3.13Å; R294-L297 HydrophobicContact CB-CB 4.22Å; R294-Q298 WeakPolarHBondContact O-CA 3.49Å; R294-Q298 PolarHBondContact O-N 3.37Å; R294-Q298 VanDerWaalsContact O-N 3.09Å; R294-N299 PolarHBondContact N-O 3.44Å; R294-N299 PolarHBondContact O-N 2.74Å
295	R	83.3	Confident	84.9	Confident	58 Å²	58	37.2 Å²	37.2	22%	0.219	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-36.7	-176.5	-62.7	-163.6	-178.5	146	-0.9	111.7	G30 S31 Q32 N146 Y293	G30-R295 PolarHBondContact O-NH1 2.96Å; S31-R295 VanDerWaalsContact CB-NH1 3.26Å; S31-R295 WeakPolarHBondContact O-CD 3.28Å; S31-R295 PolarHBondContact O-NE 3.03Å; S31-R295 PolarHBondContact O-NH1 2.89Å; S31-R295 PolarHBondContact OG-NH1 3.13Å; Q32-R295 WeakPolarHBondContact O-CB 3.45Å; Q32-R295 PolarHBondContact O-N 2.69Å; N146-R295 WeakPolarHBondContact OD1-CD 3.28Å; N146-R295 PolarHBondContact OD1-NE 2.87Å; Y293-R295 HydrophobicContact CD1-CG 4.36Å; Y293-R295 HydrophobicContact CE1-CG 3.83Å
296	D	73.8	Confident	84.3	Confident	69 Å²	69	37 Å²	37	37%	0.369	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-44.9	178	58.2	-25.5	0	0	0	112.3	R294	R294-D296 VanDerWaalsContact CB-OD1 3.3Å; R294-D296 WeakPolarHBondContact CB-OD1 3.46Å; R294-D296 IonicContact CZ-OD1 3.98Å; R294-D296 IonicContact CZ-OD2 3.5Å; R294-D296 IonicContact NE-OD1 2.74Å; R294-D296 PolarHBondContact NE-OD1 2.89Å; R294-D296 VanDerWaalsContact NE-OD1 3.14Å; R294-D296 IonicContact NE-OD2 2.84Å; R294-D296 PolarHBondContact NE-OD2 2.96Å; R294-D296 IonicContact NH2-OD1 3.91Å; R294-D296 IonicContact NH2-OD2 2.72Å; R294-D296 PolarHBondContact NH2-OD2 3.13Å
297	L	75.3	Confident	83	Confident	106 Å²	106	38.8 Å²	38.8	56%	0.555	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.5	-179.6	-57.8	-176.6	0	0	0	114.1	R294 N299	R294-L297 HydrophobicContact CB-CB 4.22Å; L297-N299 HydrophobicContact CB-CB 3.91Å; L297-N299 PolarHBondContact O-N 2.7Å
298	Q	76.8	Confident	81.1	Confident	94 Å²	94	44 Å²	44	44%	0.439	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	38.6	50.3	-164.6	-62.9	-162.6	3.9	0	0	112.7	L212 R294	L212-Q298 WeakPolarHBondContact CD2-O 3.49Å; R294-Q298 WeakPolarHBondContact O-CA 3.49Å; R294-Q298 PolarHBondContact O-N 3.37Å; R294-Q298 VanDerWaalsContact O-N 3.09Å
299	N	80.6	Confident	79.2	Confident	78 Å²	78	49.9 Å²	49.9	42%	0.417	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.9	-171.7	-168.9	-4.7	0	0	0	110.7	Y293 R294 L297	Y293-N299 CarbonylContact C-O 3.53Å; Y293-N299 WeakPolarHBondContact CA-O 3.34Å; Y293-N299 WeakPolarHBondContact CD2-O 2.85Å; R294-N299 PolarHBondContact N-O 3.44Å; R294-N299 PolarHBondContact O-N 2.74Å; L297-N299 HydrophobicContact CB-CB 3.91Å; L297-N299 PolarHBondContact O-N 2.7Å
300	L	84.1	Confident	77.3	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	115	175	-178.3	73.9	0	0	0	108.9	I36 I180 L210 L212 W291 Y293	I36-L300 HydrophobicContact CD1-CD1 4.36Å; I180-L300 HydrophobicContact CD1-CD1 3.88Å; I180-L300 HydrophobicContact CD1-CD2 4.03Å; I180-L300 HydrophobicContact CG1-CD2 4.47Å; L210-L300 HydrophobicContact CB-CD2 3.86Å; L212-L300 HydrophobicContact CB-CB 4.03Å; L212-L300 HydrophobicContact CB-CD2 4.49Å; L212-L300 HydrophobicContact CD2-CB 4.5Å; W291-L300 HydrophobicContact CB-CD1 3.79Å; W291-L300 HydrophobicContact CB-CG 4.4Å; W291-L300 HydrophobicContact CG-CD1 4.46Å; Y293-L300 HydrophobicContact CD2-CB 4.49Å
301	R	83.1	Confident	75.3	Confident	82 Å²	82	51.8 Å²	51.8	31%	0.309	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	146.3	176	69.1	179.5	-167.8	-171.4	0	111.3	E254 W291 I292	E254-R301 VanDerWaalsContact CD-NH2 3.3Å; E254-R301 IonicContact OE1-CZ 3.15Å; E254-R301 IonicContact OE1-NH1 3.81Å; E254-R301 PolarHBondContact OE1-NH1 3.39Å; E254-R301 IonicContact OE1-NH2 2.74Å; E254-R301 IonicContact OE2-CZ 2.7Å; E254-R301 IonicContact OE2-NH1 3.07Å; E254-R301 PolarHBondContact OE2-NH1 2.9Å; E254-R301 IonicContact OE2-NH2 2.69Å; E254-R301 PolarHBondContact OE2-NH2 2.88Å; W291-R301 CarbonylContact C-O 3.6Å; W291-R301 WeakPolarHBondContact CA-O 3.47Å; W291-R301 WeakPolarHBondContact CB-O 3.32Å; I292-R301 HydrophobicContact CB-CG 3.95Å; I292-R301 HydrophobicContact CG2-CG 4.45Å; I292-R301 PolarHBondContact N-O 3.22Å; I292-R301 PolarHBondContact O-N 3.33Å
302	P	84.7	Confident	72.9	Confident	74 Å²	74	53.6 Å²	53.6	48%	0.481	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	158	166.4	31.1	-35.2	0	0	0	110.9	P234	P234-P302 VanDerWaalsContact CB-CD 3.49Å; P234-P302 HydrophobicContact CB-CG 4.17Å
303	L	84.8	Confident	70.9	Confident	22 Å²	22	58.4 Å²	58.4	12%	0.115	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118	173.9	176.3	68.1	0	0	0	107.8	L35 W257 I259 A290 I292 L305	L35-L303 HydrophobicContact CD1-CD2 4.1Å; W257-L303 HydrophobicContact CB-CD1 4.29Å; W257-L303 HydrophobicContact CD2-CD2 4.28Å; W257-L303 HydrophobicContact CG-CD1 3.95Å; W257-L303 HydrophobicContact CG-CD2 4.2Å; I259-L303 HydrophobicContact CD1-CD2 3.87Å; I259-L303 HydrophobicContact CD1-CG 4.12Å; A290-L303 HydrophobicContact CB-CB 4.11Å; A290-L303 HydrophobicContact CB-CD2 4.16Å; A290-L303 PolarHBondContact O-N 2.85Å; I292-L303 HydrophobicContact CD1-CD1 4.17Å; I292-L303 HydrophobicContact CD1-CD2 4.23Å; L303-L305 PolarHBondContact O-N 2.82Å
304	S	79.7	Confident	68.9	Low	49 Å²	49	62.1 Å²	62.1	34%	0.343	32%	0.316	S	S	.	.			trans	-66.6	134.8	178.5	178.8	0	0	0	0	110.7	F306	S304-F306 PolarHBondContact OG-N 2.86Å
305	L	82	Confident	66.8	Low	8 Å²	8	63.4 Å²	63.4	4%	0.042	33%	0.325	C	S	.	.	S	Bend	trans	-85	-11.2	176.5	-51.7	-179	0	0	0	112.7	I259 L261 I287 S288 A290 L303	I259-L305 HydrophobicContact CD1-CD2 3.89Å; I259-L305 HydrophobicContact CG2-CD2 4.13Å; L261-L305 HydrophobicContact CD1-CB 4.41Å; L261-L305 HydrophobicContact CD2-CB 4.4Å; L261-L305 HydrophobicContact CD2-CD1 4.23Å; I287-L305 HydrophobicContact CG2-CD1 4.1Å; I287-L305 HydrophobicContact CG2-CD2 3.88Å; S288-L305 VanDerWaalsContact C-CD1 3.5Å; S288-L305 WeakPolarHBondContact O-CD1 3.25Å; A290-L305 HydrophobicContact CB-CD2 3.92Å; L303-L305 PolarHBondContact O-N 2.82Å
306	F	74.5	Confident	65	Low	6 Å²	6	65.1 Å²	65.1	3%	0.026	34%	0.338	C	S	.	.			trans	-115.4	70.4	-175.2	-67	-90.6	0	0	0	110.6	L261 S304 Y308 L364 Q377 T378 E379 Y414	L261-F306 HydrophobicContact CD1-CE1 4.38Å; L261-F306 HydrophobicContact CD1-CE2 4.36Å; L261-F306 HydrophobicContact CD1-CZ 4.02Å; S304-F306 PolarHBondContact OG-N 2.86Å; F306-Y308 PolarHBondContact O-N 2.83Å; F306-L364 HydrophobicContact CD1-CB 3.9Å; F306-L364 HydrophobicContact CE1-CB 4.41Å; F306-Q377 HydrophobicContact CE2-CG 4.33Å; F306-Q377 HydrophobicContact CZ-CG 4.25Å; F306-T378 WeakPolarHBondContact CE2-O 3.33Å; F306-E379 HydrophobicContact CB-CB 4.35Å; F306-E379 HydrophobicContact CB-CG 4.08Å; F306-E379 HydrophobicContact CD2-CB 3.88Å; F306-E379 HydrophobicContact CD2-CG 4.13Å; F306-E379 HydrophobicContact CE2-CB 4.38Å; F306-E379 HydrophobicContact CG-CB 4.13Å; F306-E379 HydrophobicContact CG-CG 4.34Å; F306-Y414 HydrophobicContact CD1-CE1 4.23Å; F306-Y414 HydrophobicContact CE1-CD1 4.17Å; F306-Y414 HydrophobicContact CE1-CE1 4Å
307	M	61.4	Low	63.9	Low	61 Å²	61	67.4 Å²	67.4	30%	0.3	35%	0.346	S	S	.	.			trans	-75.3	96.1	-179.8	-71.2	-179.5	61.9	0	0	111.8	W257 D309 R310	W257-M307 HydrophobicContact CB-SD 4.26Å; M307-D309 VanDerWaalsContact C-N 3.3Å; M307-D309 PolarHBondContact O-N 3.44Å; M307-D309 VanDerWaalsContact O-N 3.14Å; M307-R310 PolarHBondContact O-N 2.87Å
308	Y	50.7	Low	62.6	Low	108 Å²	108	65.9 Å²	65.9	42%	0.424	34%	0.335	S	S	.	.	H	α-helix	trans	-43.3	-46.2	-176.5	-81.4	-86.9	0	0	0	114.9	F306 R310 V311 A312 E379	F306-Y308 PolarHBondContact O-N 2.83Å; Y308-R310 VanDerWaalsContact C-N 3.33Å; Y308-R310 PolarHBondContact O-N 2.85Å; Y308-V311 PolarHBondContact O-N 3.3Å; Y308-A312 WeakPolarHBondContact O-CB 3.35Å; Y308-A312 PolarHBondContact O-N 2.82Å; Y308-E379 VanDerWaalsContact CE2-OE1 3.23Å; Y308-E379 WeakPolarHBondContact CE2-OE1 3.35Å; Y308-E379 WeakPolarHBondContact CE2-OE2 3.31Å; Y308-E379 VanDerWaalsContact CZ-OE2 3.32Å; Y308-E379 PolarHBondContact OH-OE2 2.95Å
309	D	48.5	Very low	61.3	Low	135 Å²	135	64.8 Å²	64.8	72%	0.722	33%	0.334	S	S	*	.	H	α-helix	trans	-60	-38.9	-174.3	-70.2	-40.2	0	0	0	113	M307 L313	M307-D309 VanDerWaalsContact C-N 3.3Å; M307-D309 PolarHBondContact O-N 3.44Å; M307-D309 VanDerWaalsContact O-N 3.14Å; D309-L313 WeakPolarHBondContact O-CG 3.11Å; D309-L313 PolarHBondContact O-N 2.82Å
310	R	50.4	Low	59.5	Low	57 Å²	57	64.3 Å²	64.3	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-74.3	-36.9	179.2	-73.4	177.4	172.1	-102.2	-9.3	112.1	D256 D258 M307 Y308 L313 L314	D256-R310 IonicContact OD2-CZ 3.45Å; D256-R310 IonicContact OD2-NE 2.73Å; D256-R310 PolarHBondContact OD2-NE 2.81Å; D256-R310 IonicContact OD2-NH2 3.76Å; D256-R310 PolarHBondContact OD2-NH2 3.36Å; D258-R310 IonicContact OD1-CZ 3.9Å; D258-R310 IonicContact OD1-NE 2.9Å; D258-R310 IonicContact OD1-NH1 2.7Å; D258-R310 PolarHBondContact OD1-NH1 2.93Å; D258-R310 IonicContact OD2-NH1 3.62Å; D258-R310 PolarHBondContact OD2-NH1 3.07Å; M307-R310 PolarHBondContact O-N 2.87Å; Y308-R310 VanDerWaalsContact C-N 3.33Å; Y308-R310 PolarHBondContact O-N 2.85Å; R310-L313 PolarHBondContact O-N 2.99Å; R310-L314 WeakPolarHBondContact O-CG 3.44Å; R310-L314 PolarHBondContact O-N 2.82Å
311	V	49.8	Very low	57.8	Low	24 Å²	24	70 Å²	70	15%	0.145	36%	0.358	C	S	.	.	H	α-helix	trans	-72.2	-34.1	176.5	-171	0	0	0	0	111.3	Y308 L314 L315 L364	Y308-V311 PolarHBondContact O-N 3.3Å; V311-L314 PolarHBondContact O-N 3.26Å; V311-L315 WeakPolarHBondContact O-CB 3.27Å; V311-L315 PolarHBondContact O-N 3.31Å; V311-L364 HydrophobicContact CB-CD1 3.84Å; V311-L364 HydrophobicContact CG1-CD1 3.73Å; V311-L364 HydrophobicContact CG1-CD2 3.83Å; V311-L364 HydrophobicContact CG1-CG 4.44Å; V311-L364 HydrophobicContact CG2-CD1 3.98Å
312	A	41.1	Very low	55.9	Low	44 Å²	44	73.3 Å²	73.3	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-63.6	-40.4	170.2	0	0	0	0	0	112.1	Y308 L315 I316	Y308-A312 WeakPolarHBondContact O-CB 3.35Å; Y308-A312 PolarHBondContact O-N 2.82Å; A312-L315 WeakPolarHBondContact O-CB 3.23Å; A312-L315 PolarHBondContact O-N 3.24Å; A312-I316 WeakPolarHBondContact O-CD1 3.27Å; A312-I316 VanDerWaalsContact O-CG1 3.28Å; A312-I316 WeakPolarHBondContact O-CG1 3.25Å; A312-I316 PolarHBondContact O-N 2.86Å
313	L	46.9	Very low	53.7	Low	103 Å²	103	75.9 Å²	75.9	54%	0.539	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-47.7	173.5	-76.2	166.3	0	0	0	112	D309 R310 L315 I316 E317	D309-L313 WeakPolarHBondContact O-CG 3.11Å; D309-L313 PolarHBondContact O-N 2.82Å; R310-L313 PolarHBondContact O-N 2.99Å; L313-L315 VanDerWaalsContact C-N 3.26Å; L313-L315 PolarHBondContact O-N 3.38Å; L313-I316 CarbonylContact O-C 3.59Å; L313-I316 WeakPolarHBondContact O-CB 3.14Å; L313-I316 PolarHBondContact O-N 3.35Å; L313-E317 WeakPolarHBondContact O-CG 3.22Å; L313-E317 PolarHBondContact O-N 3.3Å
314	L	48.6	Very low	51.6	Low	82 Å²	82	82 Å²	82	43%	0.429	40%	0.404	S	S	.	.	H	α-helix	trans	-59.7	-35	175.6	-73	167.2	0	0	0	112.9	R310 V311 K318	R310-L314 WeakPolarHBondContact O-CG 3.44Å; R310-L314 PolarHBondContact O-N 2.82Å; V311-L314 PolarHBondContact O-N 3.26Å; L314-K318 WeakPolarHBondContact O-CB 3.44Å; L314-K318 PolarHBondContact O-N 2.84Å
315	L	42.8	Very low	49.8	Very low	65 Å²	65	83 Å²	83	34%	0.34	42%	0.416	S	S	.	.	H	α-helix	trans	-65.4	-44.5	171.4	-89.5	163.1	0	0	0	112.2	V311 A312 L313 K318 V319 L396	V311-L315 WeakPolarHBondContact O-CB 3.27Å; V311-L315 PolarHBondContact O-N 3.31Å; A312-L315 WeakPolarHBondContact O-CB 3.23Å; A312-L315 PolarHBondContact O-N 3.24Å; L313-L315 VanDerWaalsContact C-N 3.26Å; L313-L315 PolarHBondContact O-N 3.38Å; L315-K318 PolarHBondContact O-N 2.71Å; L315-V319 WeakPolarHBondContact O-CB 3.41Å; L315-V319 VanDerWaalsContact O-CG2 3.29Å; L315-V319 WeakPolarHBondContact O-CG2 3.44Å; L315-V319 PolarHBondContact O-N 2.88Å; L315-L396 HydrophobicContact CD2-CD2 3.66Å; L315-L396 HydrophobicContact CG-CD2 4.14Å
316	I	45.5	Very low	47.9	Very low	94 Å²	94	87.4 Å²	87.4	48%	0.482	44%	0.444	S	S	.	.	H	α-helix	trans	-64.7	-40.9	177	-70.3	163.1	0	0	0	110.8	A312 L313 V319 N320	A312-I316 WeakPolarHBondContact O-CD1 3.27Å; A312-I316 VanDerWaalsContact O-CG1 3.28Å; A312-I316 WeakPolarHBondContact O-CG1 3.25Å; A312-I316 PolarHBondContact O-N 2.86Å; L313-I316 CarbonylContact O-C 3.59Å; L313-I316 WeakPolarHBondContact O-CB 3.14Å; L313-I316 PolarHBondContact O-N 3.35Å; I316-V319 PolarHBondContact O-N 2.87Å; I316-N320 WeakPolarHBondContact O-CB 3.49Å; I316-N320 PolarHBondContact O-N 2.92Å; I316-N320 PolarHBondContact O-ND2 2.95Å
317	E	50.6	Low	46.1	Very low	118 Å²	118	88.9 Å²	88.9	55%	0.551	46%	0.457	S	S	*	.	H	α-helix	trans	-62.5	-51.9	174.8	-72.4	-172.7	145	0	0	111.4	L313 V319 N320 E321	L313-E317 WeakPolarHBondContact O-CG 3.22Å; L313-E317 PolarHBondContact O-N 3.3Å; E317-V319 VanDerWaalsContact C-N 3.29Å; E317-V319 PolarHBondContact O-N 3.2Å; E317-N320 CarbonylContact O-C 3.5Å; E317-N320 WeakPolarHBondContact O-CA 3.42Å; E317-N320 PolarHBondContact O-N 2.96Å; E317-E321 PolarHBondContact O-N 3.32Å
318	K	48.2	Very low	44.9	Very low	74 Å²	74	92.9 Å²	92.9	32%	0.322	48%	0.478	S	S	.	.	H	α-helix	trans	-58.1	-38.3	175.2	-84.5	-175.9	169.8	178.2	0	112.9	L314 L315 N320 E321 F322 L396 S397	L314-K318 WeakPolarHBondContact O-CB 3.44Å; L314-K318 PolarHBondContact O-N 2.84Å; L315-K318 PolarHBondContact O-N 2.71Å; K318-N320 VanDerWaalsContact C-N 3.35Å; K318-E321 PolarHBondContact O-N 3.42Å; K318-F322 WeakPolarHBondContact O-CB 3.33Å; K318-F322 PolarHBondContact O-N 2.84Å; K318-L396 PolarHBondContact NZ-O 2.5Å; K318-S397 PolarHBondContact NZ-O 2.69Å
319	V	49.8	Very low	44	Very low	70 Å²	70	92.3 Å²	92.3	42%	0.424	49%	0.49	S	S	.	.	H	α-helix	trans	-65.5	-37.4	173.9	165.5	0	0	0	0	111.7	L315 I316 E317 K323	L315-V319 WeakPolarHBondContact O-CB 3.41Å; L315-V319 VanDerWaalsContact O-CG2 3.29Å; L315-V319 WeakPolarHBondContact O-CG2 3.44Å; L315-V319 PolarHBondContact O-N 2.88Å; I316-V319 PolarHBondContact O-N 2.87Å; E317-V319 VanDerWaalsContact C-N 3.29Å; E317-V319 PolarHBondContact O-N 3.2Å; V319-K323 HydrophobicContact CG1-CD 4.29Å; V319-K323 VanDerWaalsContact O-CG 3.25Å; V319-K323 WeakPolarHBondContact O-CG 3.5Å; V319-K323 PolarHBondContact O-N 2.96Å; V319-K323 VanDerWaalsContact O-N 3.08Å
320	N	41.9	Very low	43.2	Very low	68 Å²	68	91.6 Å²	91.6	36%	0.364	49%	0.486	S	S	.	.	H	α-helix	trans	-76	-32.3	177.4	-71.1	-26.9	0	0	0	112.6	I316 E317 K318 K323 K324	I316-N320 WeakPolarHBondContact O-CB 3.49Å; I316-N320 PolarHBondContact O-N 2.92Å; I316-N320 PolarHBondContact O-ND2 2.95Å; E317-N320 CarbonylContact O-C 3.5Å; E317-N320 WeakPolarHBondContact O-CA 3.42Å; E317-N320 PolarHBondContact O-N 2.96Å; K318-N320 VanDerWaalsContact C-N 3.35Å; N320-K323 PolarHBondContact O-N 3.43Å; N320-K324 VanDerWaalsContact O-CG 3.32Å; N320-K324 WeakPolarHBondContact O-CG 3.31Å; N320-K324 PolarHBondContact O-N 3.37Å
321	E	49.2	Very low	42.3	Very low	125 Å²	125	94.2 Å²	94.2	58%	0.584	50%	0.504	S	S	*	.	H	α-helix	trans	-68.4	-42.3	169.7	-69.8	-161.5	136.3	0	0	111.8	E317 K318 K323 K324 A325	E317-E321 PolarHBondContact O-N 3.32Å; K318-E321 PolarHBondContact O-N 3.42Å; E321-K323 VanDerWaalsContact C-N 3.28Å; E321-K323 PolarHBondContact O-N 2.84Å; E321-K324 WeakPolarHBondContact O-CB 3.37Å; E321-K324 PolarHBondContact O-N 3.29Å; E321-K324 VanDerWaalsContact O-N 3.07Å; E321-A325 WeakPolarHBondContact O-CB 3.12Å; E321-A325 PolarHBondContact O-N 3.36Å
322	F	41.7	Very low	41.6	Very low	152 Å²	152	101.4 Å²	101.4	67%	0.667	54%	0.536	S	S	*	.	H	α-helix	trans	-60.2	-39.4	173.4	-121.8	-90.4	0	0	0	111.9	K318 T326	K318-F322 WeakPolarHBondContact O-CB 3.33Å; K318-F322 PolarHBondContact O-N 2.84Å; F322-T326 HydrophobicContact CD1-CG2 4.4Å; F322-T326 WeakPolarHBondContact O-CB 3.49Å; F322-T326 PolarHBondContact O-N 3.06Å; F322-T326 PolarHBondContact O-OG1 3.42Å
323	K	39.9	Very low	41.2	Very low	128 Å²	128	104.2 Å²	104.2	56%	0.557	55%	0.552	S	S	*	*	H	α-helix	trans	-65.1	-37.5	172.7	-73.9	167.9	-174.7	170.8	0	112.6	V319 N320 E321 A327	V319-K323 HydrophobicContact CG1-CD 4.29Å; V319-K323 VanDerWaalsContact O-CG 3.25Å; V319-K323 WeakPolarHBondContact O-CG 3.5Å; V319-K323 PolarHBondContact O-N 2.96Å; V319-K323 VanDerWaalsContact O-N 3.08Å; N320-K323 PolarHBondContact O-N 3.43Å; E321-K323 VanDerWaalsContact C-N 3.28Å; E321-K323 PolarHBondContact O-N 2.84Å; K323-A327 VanDerWaalsContact O-CB 3.27Å; K323-A327 WeakPolarHBondContact O-CB 3.22Å; K323-A327 PolarHBondContact O-N 2.79Å
324	K	40.7	Very low	40.6	Very low	150 Å²	150	105.8 Å²	105.8	65%	0.652	56%	0.561	S	S	*	*	H	α-helix	trans	-67.6	-46.9	174.2	-74.1	169.2	-178.1	175.8	0	111.3	N320 E321 T326 A327	N320-K324 VanDerWaalsContact O-CG 3.32Å; N320-K324 WeakPolarHBondContact O-CG 3.31Å; N320-K324 PolarHBondContact O-N 3.37Å; E321-K324 WeakPolarHBondContact O-CB 3.37Å; E321-K324 PolarHBondContact O-N 3.29Å; E321-K324 VanDerWaalsContact O-N 3.07Å; K324-T326 PolarHBondContact O-N 2.68Å; K324-A327 PolarHBondContact O-N 3.1Å
325	A	42.4	Very low	40	Very low	72 Å²	72	110 Å²	110	60%	0.595	58%	0.576	S	S	*	*	H	α-helix	trans	-65.1	-37.5	-178.6	0	0	0	0	0	112.9	E321	E321-A325 WeakPolarHBondContact O-CB 3.12Å; E321-A325 PolarHBondContact O-N 3.36Å
326	T	41.4	Very low	39.7	Very low	100 Å²	100	115.8 Å²	115.8	61%	0.613	60%	0.601	S	S	*	*	H	α-helix	trans	-84.2	-8.7	176.4	53.5	0	0	0	0	114.4	F322 K324 I328	F322-T326 HydrophobicContact CD1-CG2 4.4Å; F322-T326 WeakPolarHBondContact O-CB 3.49Å; F322-T326 PolarHBondContact O-N 3.06Å; F322-T326 PolarHBondContact O-OG1 3.42Å; K324-T326 PolarHBondContact O-N 2.68Å; T326-I328 VanDerWaalsContact C-N 3.33Å
327	A	36.6	Very low	39.3	Very low	37 Å²	37	120.8 Å²	120.8	31%	0.306	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.8	-15.9	175.5	0	0	0	0	0	114	K323 K324 S329 L331	K323-A327 VanDerWaalsContact O-CB 3.27Å; K323-A327 WeakPolarHBondContact O-CB 3.22Å; K323-A327 PolarHBondContact O-N 2.79Å; K324-A327 PolarHBondContact O-N 3.1Å; A327-S329 VanDerWaalsContact C-N 3.33Å; A327-S329 PolarHBondContact O-N 3.23Å; A327-L331 HydrophobicContact CB-CD2 4.42Å
328	I	36.3	Very low	38.3	Very low	144 Å²	144	118.9 Å²	118.9	74%	0.738	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	75.5	-178	-49.3	179.2	0	0	0	110.4	T326	T326-I328 VanDerWaalsContact C-N 3.33Å
329	S	32.2	Very low	37.4	Very low	97 Å²	97	123.6 Å²	123.6	68%	0.678	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	177.8	-27.4	153	44.9	0	0	0	0	115.2	A327	A327-S329 VanDerWaalsContact C-N 3.33Å; A327-S329 PolarHBondContact O-N 3.23Å
330	N	31.4	Very low	36.3	Very low	119 Å²	119	127.7 Å²	127.7	64%	0.636	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.5	13.5	-161.5	-81.1	-78.6	0	0	0	116.4	E332	N330-E332 PolarHBondContact O-N 3.37Å
331	L	31.6	Very low	35.7	Very low	113 Å²	113	132.3 Å²	132.3	59%	0.592	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	19.1	-166.8	-142.7	78.1	0	0	0	117	A327	A327-L331 HydrophobicContact CB-CD2 4.42Å
332	E	34.5	Very low	34.7	Very low	175 Å²	175	136.1 Å²	136.1	82%	0.818	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-26.7	175.8	-63.3	-161.6	127	0	0	113.8	N330 L334	N330-E332 PolarHBondContact O-N 3.37Å; E332-L334 PolarHBondContact O-N 2.84Å
333	S	33.8	Very low	34	Very low	102 Å²	102	136.9 Å²	136.9	71%	0.713	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-4.9	-173.6	58.5	0	0	0	0	115.7
334	L	33.6	Very low	33.6	Very low	136 Å²	136	134.6 Å²	134.6	71%	0.712	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	6.3	-175.7	-79.4	169.5	0	0	0	114.8	E332	E332-L334 PolarHBondContact O-N 2.84Å
335	K	36.2	Very low	33.2	Very low	172 Å²	172	135.9 Å²	135.9	75%	0.748	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-13	178.8	-75	177.9	178.8	169.5	0	114.9
336	E	36.5	Very low	32.5	Very low	186 Å²	186	139.6 Å²	139.6	87%	0.869	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	10.3	-170	-62.8	-165.1	131.1	0	0	115.6
337	K	36.4	Very low	31.9	Very low	198 Å²	198	141.3 Å²	141.3	86%	0.861	77%	0.767	S	S	*	*	S	Bend	trans	-132	99.8	-179.7	-71	-173.7	179.4	176.3	0	114.3
338	G	29.8	Very low	31.4	Very low	78 Å²	78	147.6 Å²	147.6	80%	0.804	80%	0.795	S	S	*	*			trans	97.1	40.6	145.7	0	0	0	0	0	118.6	N340	G338-N340 PolarHBondContact O-N 3.22Å
339	L	29.1	Very low	30.9	Very low	173 Å²	173	146 Å²	146	91%	0.906	80%	0.797	S	S	*	*			trans	-62.2	112.2	162.5	-86.8	163.9	0	0	0	110.7
340	N	28.3	Very low	30.6	Very low	156 Å²	156	147.4 Å²	147.4	83%	0.834	81%	0.807	S	S	*	*			trans	-169.2	86	163.7	-104.5	-26.5	0	0	0	112.3	G338	G338-N340 PolarHBondContact O-N 3.22Å
341	L	28.4	Very low	30.5	Very low	166 Å²	166	147 Å²	147	87%	0.869	81%	0.813	S	S	*	*	S	Bend	trans	-167.8	26.5	157.5	-112.8	159.8	0	0	0	115.6
342	F	27.5	Very low	30.2	Very low	205 Å²	205	153.3 Å²	153.3	90%	0.899	83%	0.829	S	S	*	*	S	Bend	trans	-144	78.6	172.8	-99.4	-78	0	0	0	112.1
343	N	28.3	Very low	29.9	Very low	167 Å²	167	155 Å²	155	89%	0.893	83%	0.833	S	S	*	*			trans	-177.3	136	145.9	-101	-41	0	0	0	111.1
344	G	30.7	Very low	29.6	Very low	81 Å²	81	159 Å²	159	84%	0.835	84%	0.841	S	S	*	*			trans	170.2	88.4	-180	0	0	0	0	0	111.3
345	K	31.7	Very low	29.2	Very low	177 Å²	177	161.9 Å²	161.9	77%	0.77	85%	0.848	S	S	*	*			trans	-93.8	137	-175.4	-71.6	179.2	177.5	174.6	0	112.1
346	N	28.8	Very low	28.9	Very low	149 Å²	149	159.1 Å²	159.1	80%	0.797	85%	0.847	S	S	*	*			trans	68.1	157	158.2	-50.8	-15.8	0	0	0	115.7
347	T	28.8	Very low	28.5	Very low	136 Å²	136	158 Å²	158	83%	0.834	85%	0.847	S	S	*	*			cis	-123.8	175.3	5.6	41.4	0	0	0	0	113
348	L	26.1	Very low	27.9	Very low	170 Å²	170	153.9 Å²	153.9	89%	0.89	84%	0.842	S	S	*	*			trans	-75.1	138.4	-172.5	-67.3	70.6	0	0	0	114.2
349	S	25.9	Very low	28.1	Very low	111 Å²	111	155.6 Å²	155.6	78%	0.776	84%	0.839	S	S	*	*			trans	-147.2	168.2	132.3	72.8	0	0	0	0	109.9	S351	S349-S351 PolarHBondContact O-N 2.94Å
350	S	25.3	Very low	28.7	Very low	126 Å²	126	151.7 Å²	151.7	88%	0.881	83%	0.826	S	S	*	*			trans	-74.4	123.7	-161.6	46.6	0	0	0	0	114.7
351	S	28.4	Very low	29.7	Very low	110 Å²	110	153.8 Å²	153.8	77%	0.769	82%	0.823	S	S	*	*			trans	-143.3	146.5	165	51.9	0	0	0	0	111.1	S349 K353	S349-S351 PolarHBondContact O-N 2.94Å; S351-K353 PolarHBondContact O-N 3.42Å
352	R	27	Very low	31	Very low	246 Å²	246	147.3 Å²	147.3	93%	0.928	79%	0.789	S	S	*	*			trans	-64.2	118.1	177.6	-85.9	174.2	162.4	164.6	-7.6	109.4	Q354	R352-Q354 PolarHBondContact O-N 3.08Å; R352-Q354 VanDerWaalsContact O-N 3.12Å
353	K	28.2	Very low	32.7	Very low	209 Å²	209	139 Å²	139	91%	0.909	75%	0.752	S	S	*	*			trans	-63.6	112.1	164.9	-73.3	-172.5	176.1	-176.2	0	109.1	S351	S351-K353 PolarHBondContact O-N 3.42Å
354	Q	27.1	Very low	34.7	Very low	186 Å²	186	131.7 Å²	131.7	87%	0.869	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-64	144.6	163.5	-72.1	169.4	-53.5	0	0	108.9	R352	R352-Q354 PolarHBondContact O-N 3.08Å; R352-Q354 VanDerWaalsContact O-N 3.12Å
355	K	25.6	Very low	37	Very low	197 Å²	197	127.8 Å²	127.8	86%	0.857	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-66.9	145.7	168.4	-109	-178.8	172.8	-176.8	0	108.5
356	P	28.4	Very low	39.5	Very low	115 Å²	115	119.4 Å²	119.4	75%	0.747	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-62.9	142.1	162.1	29.4	-33.6	0	0	0	109.3
357	D	28	Very low	42.3	Very low	161 Å²	161	112.3 Å²	112.3	86%	0.861	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-60.9	144.5	172	-74.6	-53.8	0	0	0	110.6
358	C	25.4	Very low	45.1	Very low	112 Å²	112	105.9 Å²	105.9	76%	0.757	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-72.5	142	177.5	-68.3	0	0	0	0	110.4
359	P	33.2	Very low	47.9	Very low	115 Å²	115	99.1 Å²	99.1	75%	0.747	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-60.1	157.7	165.1	28.7	-34.6	0	0	0	110.3	R361	P359-R361 PolarHBondContact O-N 2.78Å
360	S	40.8	Very low	50.6	Low	90 Å²	90	94.9 Å²	94.9	63%	0.629	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-55.3	128.6	179.5	47	0	0	0	0	111.3	D362	S360-D362 PolarHBondContact O-N 3.08Å; S360-D362 PolarHBondContact OG-OD2 3.32Å
361	R	49.7	Very low	53.1	Low	201 Å²	201	95.8 Å²	95.8	76%	0.758	49%	0.489	S	S	*	.			trans	-76.6	66.1	173.6	-71.8	-178.6	170.7	-179.5	-5.6	110.4	P359	P359-R361 PolarHBondContact O-N 2.78Å
362	D	55.2	Low	55.3	Low	30 Å²	30	93.8 Å²	93.8	16%	0.16	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-71.4	127.2	167.8	-57.3	-69.5	0	0	0	108.7	S360 Q416 A417 S418	S360-D362 PolarHBondContact O-N 3.08Å; S360-D362 PolarHBondContact OG-OD2 3.32Å; D362-Q416 HydrophobicContact CB-CG 3.59Å; D362-Q416 PolarHBondContact OD2-NE2 3.18Å; D362-A417 CarbonylContact C-O 3.57Å; D362-A417 WeakPolarHBondContact CA-O 3.49Å; D362-S418 VanDerWaalsContact OD1-CA 3.22Å; D362-S418 WeakPolarHBondContact OD1-CA 3.28Å; D362-S418 WeakPolarHBondContact OD1-CB 3.47Å; D362-S418 PolarHBondContact OD1-OG 3.33Å
363	R	64.5	Low	57.8	Low	31 Å²	31	84.1 Å²	84.1	12%	0.117	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	137	-176.3	-166.6	172.5	-178.3	-176.3	-3	109.7	E379 L384 A417	R363-E379 PolarHBondContact NH2-O 2.88Å; R363-L384 PolarHBondContact NH1-O 2.95Å; R363-A417 PolarHBondContact N-O 3.42Å; R363-A417 PolarHBondContact O-N 2.89Å
364	L	70.8	Confident	60.6	Low	12 Å²	12	75.2 Å²	75.2	6%	0.063	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	139.3	170.3	-79.3	161.1	0	0	0	110.2	F306 V311 L396	F306-L364 HydrophobicContact CD1-CB 3.9Å; F306-L364 HydrophobicContact CE1-CB 4.41Å; V311-L364 HydrophobicContact CB-CD1 3.84Å; V311-L364 HydrophobicContact CG1-CD1 3.73Å; V311-L364 HydrophobicContact CG1-CD2 3.83Å; V311-L364 HydrophobicContact CG1-CG 4.44Å; V311-L364 HydrophobicContact CG2-CD1 3.98Å; L364-L396 HydrophobicContact CD2-CD1 3.55Å
365	I	78.4	Confident	63.5	Low	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157.7	170.3	58.2	147.4	0	0	0	109.7	T378 I390 Y414 Y415	I365-T378 HydrophobicContact CG2-CG2 4.29Å; I365-I390 HydrophobicContact CD1-CB 4.34Å; I365-I390 HydrophobicContact CD1-CD1 3.51Å; I365-I390 HydrophobicContact CD1-CG1 3.65Å; I365-I390 HydrophobicContact CD1-CG2 3.75Å; I365-Y414 WeakPolarHBondContact O-CA 3.38Å; I365-Y415 WeakPolarHBondContact CG1-O 3.28Å; I365-Y415 PolarHBondContact N-O 3.48Å; I365-Y415 VanDerWaalsContact N-O 3.07Å; I365-Y415 PolarHBondContact O-N 3.47Å
366	Y	84.8	Confident	66.5	Low	1 Å²	1	57 Å²	57	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.3	173.4	-175.9	-90.8	0	0	0	109.5	L261 D262 R286 Q377 Y414	L261-Y366 HydrophobicContact CB-CD1 4.36Å; L261-Y366 HydrophobicContact CB-CD2 3.86Å; L261-Y366 HydrophobicContact CB-CE1 4.35Å; L261-Y366 HydrophobicContact CB-CE2 3.84Å; L261-Y366 HydrophobicContact CB-CG 4.14Å; L261-Y366 HydrophobicContact CD1-CD2 4.42Å; L261-Y366 HydrophobicContact CD1-CG 4.17Å; L261-Y366 PolarHBondContact O-OH 3.12Å; D262-Y366 WeakPolarHBondContact CA-OH 3.5Å; D262-Y366 HydrophobicContact CB-CE2 4.32Å; R286-Y366 PolarHBondContact NE-OH 3.45Å; R286-Y366 PolarHBondContact NH2-OH 2.82Å; Y366-Q377 PolarHBondContact N-O 2.84Å; Y366-Q377 PolarHBondContact O-N 2.74Å; Y366-Y414 AromaticContact CD2-CD1 3.89Å; Y366-Y414 HydrophobicContact CD2-CD1 3.89Å; Y366-Y414 AromaticContact CD2-CD2 3.88Å; Y366-Y414 HydrophobicContact CD2-CD2 3.88Å; Y366-Y414 AromaticContact CD2-CE1 3.9Å; Y366-Y414 HydrophobicContact CD2-CE1 3.9Å; Y366-Y414 AromaticContact CD2-CE2 3.87Å; Y366-Y414 HydrophobicContact CD2-CE2 3.87Å; Y366-Y414 AromaticContact CD2-CG 3.9Å; Y366-Y414 HydrophobicContact CD2-CG 3.9Å; Y366-Y414 AromaticContact CD2-CZ 3.9Å; Y366-Y414 HydrophobicContact CE2-CD2 4.13Å; Y366-Y414 HydrophobicContact CE2-CE2 4.01Å
367	L	87.4	Confident	69.3	Low	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	115.6	169.4	-176.4	57.7	0	0	0	107.1	V83 L109 L374 V376 L392 L411 T412 G413 Y415	V83-L367 HydrophobicContact CG1-CD1 4.21Å; L109-L367 HydrophobicContact CD1-CD1 4Å; L109-L367 HydrophobicContact CD1-CD2 3.98Å; L367-L374 HydrophobicContact CD1-CB 4.31Å; L367-L374 HydrophobicContact CD1-CD2 4.49Å; L367-L374 HydrophobicContact CG-CD2 4.45Å; L367-V376 HydrophobicContact CD1-CG2 3.95Å; L367-L392 HydrophobicContact CD2-CD1 4.47Å; L367-L392 HydrophobicContact CD2-CD2 3.91Å; L367-L411 HydrophobicContact CD2-CB 4.11Å; L367-L411 WeakPolarHBondContact CD2-O 3.41Å; L367-T412 CarbonylContact O-C 3.56Å; L367-T412 WeakPolarHBondContact O-CA 3.42Å; L367-T412 WeakPolarHBondContact O-CB 3.49Å; L367-G413 PolarHBondContact N-O 3.46Å; L367-G413 PolarHBondContact O-N 2.95Å; L367-Y415 HydrophobicContact CB-CD2 4.03Å; L367-Y415 HydrophobicContact CB-CE2 3.91Å; L367-Y415 HydrophobicContact CD2-CE2 4.27Å
368	G	86.5	Confident	71.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	172.8	-179.7	0	0	0	0	0	112.6	L374 Y375 T412	G368-L374 WeakPolarHBondContact O-CA 3.46Å; G368-L374 WeakPolarHBondContact O-CD2 3.42Å; G368-Y375 VanDerWaalsContact C-CE1 3.46Å; G368-Y375 PolarHBondContact N-O 3.15Å; G368-Y375 PolarHBondContact O-N 2.91Å; G368-T412 VanDerWaalsContact C-CG2 3.41Å
369	S	85.4	Confident	73.8	Confident	28 Å²	28	40.7 Å²	40.7	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142	168.9	-173.4	0	0	0	0	111.5	R286 G372 Q373	R286-S369 VanDerWaalsContact NH1-N 3.15Å; R286-S369 PolarHBondContact NH1-O 2.84Å; S369-G372 VanDerWaalsContact OG-C 3.32Å; S369-G372 WeakPolarHBondContact OG-CA 3.45Å; S369-Q373 CarbonylContact C-O 3.55Å; S369-Q373 WeakPolarHBondContact CA-O 3.45Å; S369-Q373 WeakPolarHBondContact CB-O 3.47Å; S369-Q373 PolarHBondContact OG-O 2.69Å
370	L	82.4	Confident	75.2	Confident	22 Å²	22	39.1 Å²	39.1	12%	0.115	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.7	169.7	-171.7	76.7	0	0	0	107.6	V40 P62 G372 Q373 Y375	V40-L370 HydrophobicContact CG1-CB 4.37Å; V40-L370 HydrophobicContact CG1-CD1 4.36Å; V40-L370 HydrophobicContact CG1-CD2 4.21Å; P62-L370 HydrophobicContact CB-CD2 3.9Å; L370-G372 PolarHBondContact O-N 2.7Å; L370-Q373 PolarHBondContact N-O 2.72Å; L370-Q373 WeakPolarHBondContact O-CB 3.41Å; L370-Q373 PolarHBondContact O-N 2.78Å; L370-Y375 HydrophobicContact CB-CD1 4.42Å; L370-Y375 HydrophobicContact CB-CE1 4.39Å
371	N	78.6	Confident	75.6	Confident	145 Å²	145	37 Å²	37	78%	0.775	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	28.1	-179.2	-58.9	-21.8	0	0	0	114.9	Q373	N371-Q373 VanDerWaalsContact C-N 3.3Å
372	G	74.8	Confident	75.1	Confident	69 Å²	69	32.9 Å²	32.9	71%	0.711	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.3	-10.9	-176.7	0	0	0	0	0	115.1	S369 L370	S369-G372 VanDerWaalsContact OG-C 3.32Å; S369-G372 WeakPolarHBondContact OG-CA 3.45Å; L370-G372 PolarHBondContact O-N 2.7Å
373	Q	78.6	Confident	74.6	Confident	43 Å²	43	38.3 Å²	38.3	20%	0.201	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	140.6	176.8	-57.6	180	-17.1	0	0	109.5	Q66 S369 L370 N371	Q66-Q373 HydrophobicContact CG-CB 4.39Å; Q66-Q373 HydrophobicContact CG-CG 4.49Å; Q66-Q373 PolarHBondContact O-NE2 3.28Å; Q66-Q373 PolarHBondContact O-OE1 2.99Å; S369-Q373 CarbonylContact C-O 3.55Å; S369-Q373 WeakPolarHBondContact CA-O 3.45Å; S369-Q373 WeakPolarHBondContact CB-O 3.47Å; S369-Q373 PolarHBondContact OG-O 2.69Å; L370-Q373 PolarHBondContact N-O 2.72Å; L370-Q373 WeakPolarHBondContact O-CB 3.41Å; L370-Q373 PolarHBondContact O-N 2.78Å; N371-Q373 VanDerWaalsContact C-N 3.3Å
374	L	86.8	Confident	73.5	Confident	21 Å²	21	39.4 Å²	39.4	11%	0.11	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	148.2	178.6	-68	175.3	0	0	0	111.3	Q66 V83 M93 L367 G368 L411 T412	Q66-L374 PolarHBondContact NE2-O 3.48Å; Q66-L374 VanDerWaalsContact NE2-O 3.12Å; V83-L374 HydrophobicContact CG1-CB 3.96Å; V83-L374 HydrophobicContact CG2-CB 4.14Å; M93-L374 HydrophobicContact CE-CD1 3.76Å; M93-L374 HydrophobicContact SD-CD1 3.86Å; L367-L374 HydrophobicContact CD1-CB 4.31Å; L367-L374 HydrophobicContact CD1-CD2 4.49Å; L367-L374 HydrophobicContact CG-CD2 4.45Å; G368-L374 WeakPolarHBondContact O-CA 3.46Å; G368-L374 WeakPolarHBondContact O-CD2 3.42Å; L374-L411 HydrophobicContact CD1-CB 4.45Å; L374-L411 HydrophobicContact CD1-CD1 3.9Å; L374-L411 HydrophobicContact CD2-CB 4.44Å; L374-T412 HydrophobicContact CD2-CG2 4.22Å
375	Y	88.5	Confident	72.4	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152.3	170.7	71.6	-91.4	0	0	0	110.9	V40 P84 L86 R286 G368 L370 Q377	V40-Y375 HydrophobicContact CG1-CD1 4.34Å; V40-Y375 HydrophobicContact CG1-CE1 3.81Å; V40-Y375 HydrophobicContact CG1-CE2 4.38Å; V40-Y375 HydrophobicContact CG2-CE2 4.28Å; P84-Y375 CarbonylContact O-C 3.53Å; P84-Y375 VanDerWaalsContact O-CA 3.26Å; P84-Y375 WeakPolarHBondContact O-CA 3.48Å; L86-Y375 HydrophobicContact CD1-CD2 4.24Å; L86-Y375 HydrophobicContact CD1-CE2 4.02Å; L86-Y375 HydrophobicContact CD2-CD2 3.7Å; L86-Y375 HydrophobicContact CD2-CE2 4.15Å; L86-Y375 HydrophobicContact CD2-CG 4.31Å; L86-Y375 HydrophobicContact CG-CD2 3.9Å; L86-Y375 HydrophobicContact CG-CE2 4.2Å; R286-Y375 WeakPolarHBondContact CB-OH 3.3Å; R286-Y375 WeakPolarHBondContact CD-OH 3.1Å; G368-Y375 VanDerWaalsContact C-CE1 3.46Å; G368-Y375 PolarHBondContact N-O 3.15Å; G368-Y375 PolarHBondContact O-N 2.91Å; L370-Y375 HydrophobicContact CB-CD1 4.42Å; L370-Y375 HydrophobicContact CB-CE1 4.39Å; Y375-Q377 HydrophobicContact CD2-CB 4.48Å; Y375-Q377 HydrophobicContact CE2-CB 4.05Å
376	V	88.1	Confident	71.3	Confident	0 Å²	0	46 Å²	46	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	134.1	173.5	171.3	0	0	0	0	110.5	V83 P84 S85 L86 F91 L109 L367 T378	V83-V376 HydrophobicContact CG1-CG2 4.04Å; P84-V376 PolarHBondContact O-N 3.49Å; S85-V376 CarbonylContact C-O 3.54Å; S85-V376 WeakPolarHBondContact CA-O 3.41Å; S85-V376 WeakPolarHBondContact CB-O 3.46Å; L86-V376 PolarHBondContact N-O 2.77Å; F91-V376 HydrophobicContact CD2-CB 4.26Å; F91-V376 HydrophobicContact CD2-CG2 4.12Å; F91-V376 HydrophobicContact CE2-CB 4.15Å; F91-V376 HydrophobicContact CE2-CG1 4.04Å; F91-V376 HydrophobicContact CE2-CG2 4.4Å; F91-V376 HydrophobicContact CZ-CG1 4.35Å; L109-V376 HydrophobicContact CD1-CG2 4.19Å; L367-V376 HydrophobicContact CD1-CG2 3.95Å; V376-T378 HydrophobicContact CG1-CG2 4.31Å
377	Q	87.1	Confident	70	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.019	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.1	171.5	179.3	170.5	6.2	0	0	108.5	L86 I287 S288 F306 Y366 Y375	L86-Q377 HydrophobicContact CD1-CB 3.97Å; L86-Q377 HydrophobicContact CD1-CG 3.86Å; L86-Q377 HydrophobicContact CG-CB 4.43Å; I287-Q377 PolarHBondContact O-NE2 3.13Å; S288-Q377 PolarHBondContact O-NE2 3.02Å; F306-Q377 HydrophobicContact CE2-CG 4.33Å; F306-Q377 HydrophobicContact CZ-CG 4.25Å; Y366-Q377 PolarHBondContact N-O 2.84Å; Y366-Q377 PolarHBondContact O-N 2.74Å; Y375-Q377 HydrophobicContact CD2-CB 4.48Å; Y375-Q377 HydrophobicContact CE2-CB 4.05Å
378	T	78.4	Confident	68.9	Low	15 Å²	15	51 Å²	51	9%	0.092	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	163	175.8	43.7	0	0	0	0	110.3	D87 F306 I365 V376	D87-T378 WeakPolarHBondContact OD2-CB 3.22Å; D87-T378 WeakPolarHBondContact OD2-CG2 3.4Å; D87-T378 PolarHBondContact OD2-OG1 3.37Å; F306-T378 WeakPolarHBondContact CE2-O 3.33Å; I365-T378 HydrophobicContact CG2-CG2 4.29Å; V376-T378 HydrophobicContact CG1-CG2 4.31Å
379	E	70.3	Confident	67.8	Low	25 Å²	25	56.6 Å²	56.6	12%	0.117	33%	0.333	C	S	.	.			trans	-70.2	130.5	170.9	178.6	172.4	-149.9	0	0	111.6	F306 Y308 R363 G381	F306-E379 HydrophobicContact CB-CB 4.35Å; F306-E379 HydrophobicContact CB-CG 4.08Å; F306-E379 HydrophobicContact CD2-CB 3.88Å; F306-E379 HydrophobicContact CD2-CG 4.13Å; F306-E379 HydrophobicContact CE2-CB 4.38Å; F306-E379 HydrophobicContact CG-CB 4.13Å; F306-E379 HydrophobicContact CG-CG 4.34Å; Y308-E379 VanDerWaalsContact CE2-OE1 3.23Å; Y308-E379 WeakPolarHBondContact CE2-OE1 3.35Å; Y308-E379 WeakPolarHBondContact CE2-OE2 3.31Å; Y308-E379 VanDerWaalsContact CZ-OE2 3.32Å; Y308-E379 PolarHBondContact OH-OE2 2.95Å; R363-E379 PolarHBondContact NH2-O 2.88Å; E379-G381 PolarHBondContact O-N 2.83Å
380	D	61.6	Low	67	Low	83 Å²	83	55.2 Å²	55.2	44%	0.444	32%	0.324	S	S	.	.	S	Bend	trans	-69.4	105.6	172.3	-89.4	-55.2	0	0	0	111.7	K289	K289-D380 WeakPolarHBondContact CE-OD1 3.2Å; K289-D380 VanDerWaalsContact CE-OD2 3.3Å; K289-D380 WeakPolarHBondContact CE-OD2 3.47Å; K289-D380 WeakPolarHBondContact CG-OD2 3.12Å; K289-D380 IonicContact NZ-OD1 3.66Å; K289-D380 PolarHBondContact NZ-OD1 2.75Å; K289-D380 IonicContact NZ-OD2 2.69Å
381	G	49.8	Very low	66.1	Low	46 Å²	46	58.3 Å²	58.3	47%	0.474	34%	0.34	S	S	.	.			trans	124.1	157.8	161.4	0	0	0	0	0	116.3	E379	E379-G381 PolarHBondContact O-N 2.83Å
382	V	39	Very low	65.6	Low	114 Å²	114	52 Å²	52	69%	0.691	31%	0.306	S	S	*	.	S	Bend	trans	68	136.1	-177	-167.6	0	0	0	0	114.4	L384	V382-L384 HydrophobicContact CG1-CD1 4.49Å; V382-L384 HydrophobicContact CG1-CG 4.28Å; V382-L384 PolarHBondContact O-N 2.83Å
383	D	44.2	Very low	64.7	Low	143 Å²	143	52.1 Å²	52.1	77%	0.765	30%	0.296	S	S	*	.			trans	-72.5	65.9	-173	-49.9	-88.1	0	0	0	112.4
384	L	43.1	Very low	63.5	Low	55 Å²	55	56.8 Å²	56.8	29%	0.288	32%	0.316	S	S	.	.			trans	-105.9	122.6	178.6	-69.3	166.7	0	0	0	109.6	R363 V382	R363-L384 PolarHBondContact NH1-O 2.95Å; V382-L384 HydrophobicContact CG1-CD1 4.49Å; V382-L384 HydrophobicContact CG1-CG 4.28Å; V382-L384 PolarHBondContact O-N 2.83Å
385	P	46.2	Very low	62	Low	79 Å²	79	58 Å²	58	51%	0.513	33%	0.327	S	S	.	.			trans	-60.3	152.4	-176.3	22.9	-33.6	0	0	0	112.8	Y419	P385-Y419 WeakPolarHBondContact CD-OH 3.4Å; P385-Y419 HydrophobicContact CG-CE2 3.75Å; P385-Y419 WeakPolarHBondContact CG-OH 3.47Å
386	N	55.9	Low	60.2	Low	70 Å²	70	59.4 Å²	59.4	37%	0.374	33%	0.334	S	S	.	.			trans	-66.2	138.5	-170.4	-69.8	-18.2	0	0	0	112	Q89 E388	Q89-N386 PolarHBondContact OE1-ND2 2.99Å; N386-E388 PolarHBondContact O-N 2.78Å
387	P	58.5	Low	58.4	Low	13 Å²	13	60.4 Å²	60.4	8%	0.084	34%	0.341	C	S	.	.			trans	-70.4	114.4	-169.5	26.2	-33.9	0	0	0	112.4	F91 A111 M389 A417	F91-P387 HydrophobicContact CE1-CG 4.37Å; F91-P387 HydrophobicContact CZ-CG 4.46Å; A111-P387 WeakPolarHBondContact CB-O 3.42Å; P387-M389 VanDerWaalsContact C-N 3.29Å; P387-M389 PolarHBondContact O-N 2.67Å; P387-A417 HydrophobicContact CB-CB 3.62Å; P387-A417 HydrophobicContact CG-CB 4.2Å
388	E	62.8	Low	56.1	Low	93 Å²	93	63.5 Å²	63.5	44%	0.435	36%	0.36	S	S	.	.	S	Bend	trans	-56.8	-37.7	-176	-67.7	-167.7	178.8	0	0	114	K110 A111 N386	K110-E388 WeakPolarHBondContact CA-O 2.95Å; K110-E388 VanDerWaalsContact CG-O 3.31Å; K110-E388 WeakPolarHBondContact CG-O 3.21Å; A111-E388 PolarHBondContact N-O 3.23Å; N386-E388 PolarHBondContact O-N 2.78Å
389	M	63.5	Low	54.1	Low	118 Å²	118	68.8 Å²	68.8	58%	0.581	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.4	136.7	-174.2	-167	-176.7	-60.9	0	0	113	P387	P387-M389 VanDerWaalsContact C-N 3.29Å; P387-M389 PolarHBondContact O-N 2.67Å
390	I	68.2	Low	52.3	Low	0 Å²	0	71.3 Å²	71.3	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	115.1	178.5	-66.5	144.1	0	0	0	107.3	F91 L109 I365 L392 A417	F91-I390 HydrophobicContact CD1-CD1 3.82Å; F91-I390 HydrophobicContact CE1-CD1 3.58Å; F91-I390 HydrophobicContact CZ-CD1 4.42Å; L109-I390 HydrophobicContact CB-CB 3.88Å; L109-I390 HydrophobicContact CB-CD1 4.05Å; L109-I390 HydrophobicContact CB-CG2 4.19Å; L109-I390 PolarHBondContact N-O 3.12Å; L109-I390 PolarHBondContact O-N 2.83Å; I365-I390 HydrophobicContact CD1-CB 4.34Å; I365-I390 HydrophobicContact CD1-CD1 3.51Å; I365-I390 HydrophobicContact CD1-CG1 3.65Å; I365-I390 HydrophobicContact CD1-CG2 3.75Å; I390-L392 HydrophobicContact CG2-CD2 4.03Å; I390-L392 HydrophobicContact CG2-CG 4.43Å; I390-A417 HydrophobicContact CG1-CB 4.12Å
391	N	64.7	Low	50.8	Low	87 Å²	87	71.4 Å²	71.4	47%	0.465	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	104.8	176.9	-173.7	-5.8	0	0	0	110.3	S393 K394	N391-S393 PolarHBondContact ND2-OG 3.03Å; N391-S393 PolarHBondContact O-N 3.32Å; N391-S393 VanDerWaalsContact O-N 3.12Å; N391-S393 WeakPolarHBondContact OD1-CB 3.46Å; N391-S393 PolarHBondContact OD1-N 3.21Å; N391-S393 VanDerWaalsContact OD1-N 3.11Å; N391-S393 PolarHBondContact OD1-OG 3.28Å; N391-S393 VanDerWaalsContact OD1-OG 3.06Å; N391-K394 PolarHBondContact O-N 3.36Å
392	L	68.3	Low	49.8	Very low	12 Å²	12	78.1 Å²	78.1	6%	0.063	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-5.6	-176.6	-63.4	169.1	0	0	0	113.3	A107 L109 L367 I390 K394 L411 Y415	A107-L392 HydrophobicContact CB-CB 4.12Å; A107-L392 HydrophobicContact CB-CD1 3.87Å; A107-L392 WeakPolarHBondContact O-CB 3.38Å; L109-L392 HydrophobicContact CD1-CD1 4.2Å; L109-L392 HydrophobicContact CD1-CD2 4.18Å; L109-L392 HydrophobicContact CG-CD1 4.13Å; L367-L392 HydrophobicContact CD2-CD1 4.47Å; L367-L392 HydrophobicContact CD2-CD2 3.91Å; I390-L392 HydrophobicContact CG2-CD2 4.03Å; I390-L392 HydrophobicContact CG2-CG 4.43Å; L392-K394 PolarHBondContact O-N 3.28Å; L392-K394 VanDerWaalsContact O-N 3.12Å; L392-L411 HydrophobicContact CD1-CD2 4.34Å; L392-Y415 HydrophobicContact CB-CE1 4.1Å; L392-Y415 HydrophobicContact CD2-CD1 3.74Å; L392-Y415 HydrophobicContact CD2-CD2 3.89Å; L392-Y415 HydrophobicContact CD2-CE1 3.55Å; L392-Y415 HydrophobicContact CD2-CE2 3.72Å; L392-Y415 HydrophobicContact CD2-CG 3.9Å; L392-Y415 HydrophobicContact CG-CE1 4.46Å; L392-Y415 WeakPolarHBondContact O-CE1 3.38Å
393	S	56.3	Low	49.3	Very low	71 Å²	71	76.3 Å²	76.3	50%	0.497	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-3.2	172.6	84.7	0	0	0	0	114.1	N391	N391-S393 PolarHBondContact ND2-OG 3.03Å; N391-S393 PolarHBondContact O-N 3.32Å; N391-S393 VanDerWaalsContact O-N 3.12Å; N391-S393 WeakPolarHBondContact OD1-CB 3.46Å; N391-S393 PolarHBondContact OD1-N 3.21Å; N391-S393 VanDerWaalsContact OD1-N 3.11Å; N391-S393 PolarHBondContact OD1-OG 3.28Å; N391-S393 VanDerWaalsContact OD1-OG 3.06Å
394	K	52.5	Low	48.6	Very low	141 Å²	141	75.5 Å²	75.5	61%	0.613	43%	0.427	S	S	*	.			trans	-125.3	70.8	175.8	-69.2	-175.5	177	-178.8	0	111.3	N391 L392 Y415	N391-K394 PolarHBondContact O-N 3.36Å; L392-K394 PolarHBondContact O-N 3.28Å; L392-K394 VanDerWaalsContact O-N 3.12Å; K394-Y415 WeakPolarHBondContact O-CD1 3.41Å
395	S	55	Low	47.8	Very low	48 Å²	48	80.5 Å²	80.5	34%	0.336	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-68.5	132.8	167.7	-177	0	0	0	0	111	S397 Y415	S395-S397 PolarHBondContact OG-N 3.31Å; S395-S397 VanDerWaalsContact OG-N 3.15Å; S395-S397 PolarHBondContact OG-OG 2.88Å; S395-Y415 VanDerWaalsContact CA-CE1 3.45Å
396	L	51.8	Low	46.9	Very low	31 Å²	31	83.4 Å²	83.4	16%	0.162	47%	0.465	C	S	.	.			trans	-86.1	-15.4	171.9	-63	170.5	0	0	0	112.2	L315 K318 L364 Y414 Q416	L315-L396 HydrophobicContact CD2-CD2 3.66Å; L315-L396 HydrophobicContact CG-CD2 4.14Å; K318-L396 PolarHBondContact NZ-O 2.5Å; L364-L396 HydrophobicContact CD2-CD1 3.55Å; L396-Y414 WeakPolarHBondContact CB-O 3.45Å; L396-Y414 PolarHBondContact N-O 2.93Å; L396-Q416 HydrophobicContact CD1-CB 4.37Å
397	S	49.4	Very low	45.6	Very low	21 Å²	21	91.1 Å²	91.1	15%	0.147	49%	0.489	C	S	.	.			trans	-62.2	151.4	-173.7	63.4	0	0	0	0	113.7	K318 S395	K318-S397 PolarHBondContact NZ-O 2.69Å; S395-S397 PolarHBondContact OG-N 3.31Å; S395-S397 VanDerWaalsContact OG-N 3.15Å; S395-S397 PolarHBondContact OG-OG 2.88Å
398	T	38.8	Very low	44.4	Very low	69 Å²	69	102.2 Å²	102.2	42%	0.423	53%	0.529	S	S	.	.			trans	-105.4	58	-174.5	38.7	0	0	0	0	111.2	S400	T398-S400 PolarHBondContact O-N 3.27Å; T398-S400 VanDerWaalsContact O-N 3.12Å
399	N	37	Very low	43.5	Very low	126 Å²	126	105.1 Å²	105.1	67%	0.674	54%	0.54	S	S	*	.			trans	-62.2	115.7	166.7	-75.8	1.3	0	0	0	108.8
400	S	31.9	Very low	43.4	Very low	77 Å²	77	103.8 Å²	103.8	54%	0.538	54%	0.536	S	S	.	.			trans	-61.1	141.1	-179.9	48.8	0	0	0	0	111.2	T398 E402 S403	T398-S400 PolarHBondContact O-N 3.27Å; T398-S400 VanDerWaalsContact O-N 3.12Å; S400-E402 PolarHBondContact O-N 3.03Å; S400-S403 PolarHBondContact O-OG 2.68Å
401	A	29.1	Very low	43.7	Very low	85 Å²	85	104.6 Å²	104.6	70%	0.702	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	9.1	-171.6	0	0	0	0	0	115.1
402	E	29.3	Very low	44.3	Very low	187 Å²	187	101.2 Å²	101.2	87%	0.874	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-8	-171.5	-60.1	-175.8	134.6	0	0	113.5	S400	S400-E402 PolarHBondContact O-N 3.03Å
403	S	28.3	Very low	44.8	Very low	76 Å²	76	100.7 Å²	100.7	53%	0.531	52%	0.52	S	S	.	.	S	Bend	trans	-96.6	-2.9	179.5	59.2	0	0	0	0	114.9	S400 N405 N406	S400-S403 PolarHBondContact O-OG 2.68Å; S403-N405 PolarHBondContact O-N 2.59Å; S403-N406 PolarHBondContact O-N 2.93Å
404	L	28.9	Very low	45.9	Very low	127 Å²	127	98.7 Å²	98.7	67%	0.665	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-13.1	-166	-88.2	161.8	0	0	0	117.5
405	N	27.9	Very low	47	Very low	159 Å²	159	92.4 Å²	92.4	85%	0.85	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	3.5	-172.2	-80.6	-19.3	0	0	0	115.3	S403	S403-N405 PolarHBondContact O-N 2.59Å
406	N	26.8	Very low	47.7	Very low	140 Å²	140	93.2 Å²	93.2	75%	0.749	47%	0.473	S	S	*	.	S	Bend	trans	-159.5	143.3	175.4	-118.6	-60.2	0	0	0	115.5	S403	S403-N406 PolarHBondContact O-N 2.93Å
407	R	27.7	Very low	48.4	Very low	232 Å²	232	91.8 Å²	91.8	88%	0.875	47%	0.466	S	S	*	.	S	Bend	trans	83.1	156.3	174	-53.2	176	-178.3	-161.6	-1.5	116.4	F409	R407-F409 PolarHBondContact O-N 3.11Å
408	R	34.4	Very low	48.7	Very low	246 Å²	246	94.5 Å²	94.5	93%	0.928	48%	0.484	S	S	*	.			trans	-52.8	129.2	-169.9	-66.3	171.4	175.5	159.3	-3.2	111.6	D410	R408-D410 PolarHBondContact O-N 3.25Å; R408-D410 VanDerWaalsContact O-N 3.14Å
409	F	44.3	Very low	49.5	Very low	154 Å²	154	96.5 Å²	96.5	68%	0.675	49%	0.485	S	S	*	.			trans	-57	114.1	170.9	-69.2	-80.3	0	0	0	110.6	L104 R407	L104-F409 HydrophobicContact CD1-CB 3.97Å; L104-F409 HydrophobicContact CD1-CD1 3.96Å; L104-F409 HydrophobicContact CD1-CG 4.13Å; L104-F409 HydrophobicContact CG-CB 4.39Å; R407-F409 PolarHBondContact O-N 3.11Å
410	D	61.1	Low	49.9	Very low	91 Å²	91	93.4 Å²	93.4	49%	0.487	47%	0.473	S	S	.	.			trans	-80.9	140.2	174.8	-166.1	-1	0	0	0	110.4	R408 T412	R408-D410 PolarHBondContact O-N 3.25Å; R408-D410 VanDerWaalsContact O-N 3.14Å; D410-T412 VanDerWaalsContact CG-OG1 3.29Å; D410-T412 WeakPolarHBondContact OD1-CG2 3.44Å; D410-T412 PolarHBondContact OD1-N 2.97Å; D410-T412 PolarHBondContact OD2-OG1 3.37Å
411	L	73.4	Confident	50	Low	17 Å²	17	96.5 Å²	96.5	9%	0.089	48%	0.483	C	S	.	.			trans	-85.2	-9.8	172.8	-80	163.3	0	0	0	112.2	M93 R95 L104 L367 L374 L392 Y415	M93-L411 HydrophobicContact SD-CD1 3.99Å; R95-L411 VanDerWaalsContact NH2-CD1 3.29Å; L104-L411 HydrophobicContact CD2-CD2 3.49Å; L104-L411 VanDerWaalsContact CD2-CD2 3.49Å; L104-L411 HydrophobicContact CD2-CG 4.16Å; L367-L411 HydrophobicContact CD2-CB 4.11Å; L367-L411 WeakPolarHBondContact CD2-O 3.41Å; L374-L411 HydrophobicContact CD1-CB 4.45Å; L374-L411 HydrophobicContact CD1-CD1 3.9Å; L374-L411 HydrophobicContact CD2-CB 4.44Å; L392-L411 HydrophobicContact CD1-CD2 4.34Å; L411-Y415 PolarHBondContact O-OH 2.79Å
412	T	78.5	Confident	50	Low	16 Å²	16	94.1 Å²	94.1	10%	0.098	46%	0.462	C	S	.	.			trans	-74	142.9	-175	70.3	0	0	0	0	114	R286 L367 G368 L374 D410	R286-T412 PolarHBondContact NH2-OG1 2.8Å; L367-T412 CarbonylContact O-C 3.56Å; L367-T412 WeakPolarHBondContact O-CA 3.42Å; L367-T412 WeakPolarHBondContact O-CB 3.49Å; G368-T412 VanDerWaalsContact C-CG2 3.41Å; L374-T412 HydrophobicContact CD2-CG2 4.22Å; D410-T412 VanDerWaalsContact CG-OG1 3.29Å; D410-T412 WeakPolarHBondContact OD1-CG2 3.44Å; D410-T412 PolarHBondContact OD1-N 2.97Å; D410-T412 PolarHBondContact OD2-OG1 3.37Å
413	G	79	Confident	50.1	Low	1 Å²	1	89.7 Å²	89.7	1%	0.01	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.4	178.6	-176	0	0	0	0	0	114.1	L367 Y415	L367-G413 PolarHBondContact N-O 3.46Å; L367-G413 PolarHBondContact O-N 2.95Å; G413-Y415 WeakPolarHBondContact O-CD2 3.43Å
414	Y	77.8	Confident	50.4	Low	28 Å²	28	93.9 Å²	93.9	11%	0.11	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	139.4	175.7	-65.7	-90.8	0	0	0	111.2	L261 F306 I365 Y366 L396	L261-Y414 WeakPolarHBondContact CB-OH 3.46Å; L261-Y414 HydrophobicContact CD1-CE1 4.14Å; L261-Y414 WeakPolarHBondContact CG-OH 3.37Å; L261-Y414 PolarHBondContact N-OH 3.24Å; L261-Y414 VanDerWaalsContact N-OH 3.15Å; F306-Y414 HydrophobicContact CD1-CE1 4.23Å; F306-Y414 HydrophobicContact CE1-CD1 4.17Å; F306-Y414 HydrophobicContact CE1-CE1 4Å; I365-Y414 WeakPolarHBondContact O-CA 3.38Å; Y366-Y414 AromaticContact CD2-CD1 3.89Å; Y366-Y414 HydrophobicContact CD2-CD1 3.89Å; Y366-Y414 AromaticContact CD2-CD2 3.88Å; Y366-Y414 HydrophobicContact CD2-CD2 3.88Å; Y366-Y414 AromaticContact CD2-CE1 3.9Å; Y366-Y414 HydrophobicContact CD2-CE1 3.9Å; Y366-Y414 AromaticContact CD2-CE2 3.87Å; Y366-Y414 HydrophobicContact CD2-CE2 3.87Å; Y366-Y414 AromaticContact CD2-CG 3.9Å; Y366-Y414 HydrophobicContact CD2-CG 3.9Å; Y366-Y414 AromaticContact CD2-CZ 3.9Å; Y366-Y414 HydrophobicContact CE2-CD2 4.13Å; Y366-Y414 HydrophobicContact CE2-CE2 4.01Å; L396-Y414 WeakPolarHBondContact CB-O 3.45Å; L396-Y414 PolarHBondContact N-O 2.93Å
415	Y	76.2	Confident	50.5	Low	9 Å²	9	95 Å²	95	4%	0.035	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.8	177.4	-66.3	-86.8	0	0	0	111.1	I365 L367 L392 K394 S395 L411 G413	I365-Y415 WeakPolarHBondContact CG1-O 3.28Å; I365-Y415 PolarHBondContact N-O 3.48Å; I365-Y415 VanDerWaalsContact N-O 3.07Å; I365-Y415 PolarHBondContact O-N 3.47Å; L367-Y415 HydrophobicContact CB-CD2 4.03Å; L367-Y415 HydrophobicContact CB-CE2 3.91Å; L367-Y415 HydrophobicContact CD2-CE2 4.27Å; L392-Y415 HydrophobicContact CB-CE1 4.1Å; L392-Y415 HydrophobicContact CD2-CD1 3.74Å; L392-Y415 HydrophobicContact CD2-CD2 3.89Å; L392-Y415 HydrophobicContact CD2-CE1 3.55Å; L392-Y415 HydrophobicContact CD2-CE2 3.72Å; L392-Y415 HydrophobicContact CD2-CG 3.9Å; L392-Y415 HydrophobicContact CG-CE1 4.46Å; L392-Y415 WeakPolarHBondContact O-CE1 3.38Å; K394-Y415 WeakPolarHBondContact O-CD1 3.41Å; S395-Y415 VanDerWaalsContact CA-CE1 3.45Å; L411-Y415 PolarHBondContact O-OH 2.79Å; G413-Y415 WeakPolarHBondContact O-CD2 3.43Å
416	Q	69.8	Low	50.8	Low	66 Å²	66	96.3 Å²	96.3	31%	0.308	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.5	178	-174.2	177.2	7.8	0	0	109.4	D362 L396	D362-Q416 HydrophobicContact CB-CG 3.59Å; D362-Q416 PolarHBondContact OD2-NE2 3.18Å; L396-Q416 HydrophobicContact CD1-CB 4.37Å
417	A	66	Low	51.1	Low	1 Å²	1	97.8 Å²	97.8	1%	0.008	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.9	174.6	0	0	0	0	0	110.2	D362 R363 P387 I390	D362-A417 CarbonylContact C-O 3.57Å; D362-A417 WeakPolarHBondContact CA-O 3.49Å; R363-A417 PolarHBondContact N-O 3.42Å; R363-A417 PolarHBondContact O-N 2.89Å; P387-A417 HydrophobicContact CB-CB 3.62Å; P387-A417 HydrophobicContact CG-CB 4.2Å; I390-A417 HydrophobicContact CG1-CB 4.12Å
418	S	56.6	Low	51.4	Low	77 Å²	77	91.4 Å²	91.4	54%	0.538	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-83.2	132.7	-178.1	-74.6	0	0	0	0	113	D362	D362-S418 VanDerWaalsContact OD1-CA 3.22Å; D362-S418 WeakPolarHBondContact OD1-CA 3.28Å; D362-S418 WeakPolarHBondContact OD1-CB 3.47Å; D362-S418 PolarHBondContact OD1-OG 3.33Å
419	Y	55.6	Low	51.4	Low	112 Å²	112	84.4 Å²	84.4	44%	0.439	42%	0.423	S	S	.	.			trans	-83.9	115.6	179.8	-164.7	-81.7	0	0	0	110.9	P385 N421	P385-Y419 WeakPolarHBondContact CD-OH 3.4Å; P385-Y419 HydrophobicContact CG-CE2 3.75Å; P385-Y419 WeakPolarHBondContact CG-OH 3.47Å; Y419-N421 WeakPolarHBondContact CD1-OD1 3.31Å; Y419-N421 WeakPolarHBondContact CE1-OD1 3.32Å
420	S	44.5	Very low	50.8	Low	60 Å²	60	79.7 Å²	79.7	42%	0.42	40%	0.403	S	S	.	.			trans	-86.2	109.4	171.7	42	0	0	0	0	110.9	S422	S420-S422 PolarHBondContact O-N 3.32Å
421	N	33.8	Very low	49.6	Very low	142 Å²	142	79.1 Å²	79.1	76%	0.759	40%	0.404	S	S	*	.	S	Bend	trans	-68.9	68.7	169.3	-77.6	-9.7	0	0	0	111.5	Y419	Y419-N421 WeakPolarHBondContact CD1-OD1 3.31Å; Y419-N421 WeakPolarHBondContact CE1-OD1 3.32Å
422	S	30.8	Very low	48.3	Very low	35 Å²	35	81.4 Å²	81.4	25%	0.245	41%	0.413	C	S	.	.	S	Bend	trans	161	129	155.7	36.7	0	0	0	0	107.5	S420 K424	S420-S422 PolarHBondContact O-N 3.32Å; S422-K424 PolarHBondContact O-N 3.27Å
423	P	31.2	Very low	46	Very low	94 Å²	94	85.8 Å²	85.8	61%	0.61	44%	0.436	S	S	*	.			trans	-73	66.1	165	33.6	-33.7	0	0	0	108.4	L425 E706	P423-L425 VanDerWaalsContact C-N 3.34Å; P423-L425 PolarHBondContact O-N 3.41Å; P423-E706 WeakPolarHBondContact CD-OE1 3.23Å
424	K	33.6	Very low	43.7	Very low	164 Å²	164	91.9 Å²	91.9	71%	0.713	47%	0.468	S	S	*	.			trans	-63.2	102.2	173.6	-87.5	-179.9	-177.2	177.9	0	107.1	S422 K426	S422-K424 PolarHBondContact O-N 3.27Å; K424-K426 PolarHBondContact O-N 3.41Å
425	L	31.8	Very low	41.2	Very low	150 Å²	150	101.1 Å²	101.1	79%	0.785	50%	0.504	S	S	*	.			trans	-68.4	60.6	176.6	-154.4	126.3	0	0	0	110.6	P423 K427	P423-L425 VanDerWaalsContact C-N 3.34Å; P423-L425 PolarHBondContact O-N 3.41Å; L425-K427 PolarHBondContact O-N 2.91Å
426	K	33.4	Very low	38.9	Very low	188 Å²	188	107.1 Å²	107.1	82%	0.817	54%	0.537	S	S	*	.			trans	-45.3	114.2	143.1	-78.3	-176.7	174.4	-179.2	0	104.3	K424 Y428	K424-K426 PolarHBondContact O-N 3.41Å; K426-Y428 PolarHBondContact O-N 3.5Å
427	K	32.9	Very low	36.9	Very low	171 Å²	171	109.7 Å²	109.7	74%	0.743	56%	0.561	S	S	*	*			trans	-40.6	140	171	-70	-178.4	172.8	-174.9	0	107.8	L425 T429	L425-K427 PolarHBondContact O-N 2.91Å; K427-T429 PolarHBondContact O-N 2.85Å
428	Y	34.7	Very low	35.2	Very low	97 Å²	97	116.5 Å²	116.5	38%	0.38	60%	0.603	S	S	.	*			trans	-63.4	83.1	162.6	-74.8	-93.9	0	0	0	106.9	P113 K426 Q430	P113-Y428 HydrophobicContact CG-CE1 3.82Å; P113-Y428 HydrophobicContact CG-CE2 4.33Å; K426-Y428 PolarHBondContact O-N 3.5Å; Y428-Q430 VanDerWaalsContact C-N 3.31Å; Y428-Q430 PolarHBondContact O-N 3.2Å
429	T	34.5	Very low	33.8	Very low	99 Å²	99	121.4 Å²	121.4	61%	0.607	62%	0.617	S	S	*	*			trans	-59.9	101.8	171.1	47.4	0	0	0	0	104.6	K427 P431	K427-T429 PolarHBondContact O-N 2.85Å; T429-P431 VanDerWaalsContact O-N 3.15Å
430	Q	31.2	Very low	32.5	Very low	56 Å²	56	124.8 Å²	124.8	26%	0.262	64%	0.637	S	S	.	*			trans	-51.1	124.9	-177	-66.2	178.8	-7.1	0	0	106.7	Y428 F432 L433 L502	Y428-Q430 VanDerWaalsContact C-N 3.31Å; Y428-Q430 PolarHBondContact O-N 3.2Å; Q430-F432 PolarHBondContact O-N 3.28Å; Q430-L433 HydrophobicContact CB-CB 4.31Å; Q430-L433 PolarHBondContact O-N 2.74Å; Q430-L502 HydrophobicContact CB-CD2 4.24Å; Q430-L502 VanDerWaalsContact CD-CD2 3.46Å; Q430-L502 HydrophobicContact CG-CD2 4Å
431	P	36.7	Very low	31.7	Very low	78 Å²	78	128.1 Å²	128.1	51%	0.506	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59	-6.7	-174.9	-25.2	33.7	0	0	0	114.5	T429	T429-P431 VanDerWaalsContact O-N 3.15Å
432	F	45.5	Very low	31.5	Very low	65 Å²	65	128 Å²	128	29%	0.285	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.2	-12.5	-170.5	-39.2	-64.9	0	0	0	112.8	L73 Q430 L498 L501 L502	L73-F432 HydrophobicContact CD2-CD1 4.38Å; L73-F432 HydrophobicContact CD2-CE1 3.49Å; L73-F432 VanDerWaalsContact CD2-CE1 3.49Å; L73-F432 HydrophobicContact CD2-CZ 3.71Å; Q430-F432 PolarHBondContact O-N 3.28Å; F432-L498 HydrophobicContact CB-CD1 4.49Å; F432-L498 HydrophobicContact CD1-CD1 4.05Å; F432-L498 HydrophobicContact CD2-CD1 3.38Å; F432-L498 HydrophobicContact CE1-CD1 4.14Å; F432-L498 HydrophobicContact CE2-CD1 3.47Å; F432-L498 VanDerWaalsContact CE2-CD1 3.47Å; F432-L498 HydrophobicContact CG-CD1 3.68Å; F432-L498 HydrophobicContact CZ-CD1 3.86Å; F432-L501 HydrophobicContact CE2-CB 4.32Å; F432-L501 HydrophobicContact CZ-CD1 4.18Å; F432-L502 HydrophobicContact CD2-CD2 4.33Å
433	L	30.9	Very low	31.4	Very low	109 Å²	109	133.4 Å²	133.4	57%	0.571	67%	0.674	S	S	*	*			trans	-121	81.7	175.3	-67.8	-168.7	0	0	0	111.5	Q430	Q430-L433 HydrophobicContact CB-CB 4.31Å; Q430-L433 PolarHBondContact O-N 2.74Å
434	L	29.9	Very low	31.2	Very low	129 Å²	129	137.2 Å²	137.2	68%	0.675	68%	0.681	S	S	*	*			trans	-127.4	87.7	162.6	-91.2	166.3	0	0	0	108.9	D436	L434-D436 PolarHBondContact O-N 3.22Å
435	Y	25.1	Very low	31	Very low	222 Å²	222	134.4 Å²	134.4	87%	0.871	69%	0.688	S	S	*	*			trans	-87.5	92	165.8	-93.7	-86.5	0	0	0	109
436	D	29	Very low	30.8	Very low	135 Å²	135	133.5 Å²	133.5	72%	0.722	69%	0.689	S	S	*	*			trans	-127	104.6	163.6	-90.4	-47.1	0	0	0	108.7	L434 V438	L434-D436 PolarHBondContact O-N 3.22Å; D436-V438 PolarHBondContact O-N 3.36Å
437	S	26.4	Very low	30.6	Very low	119 Å²	119	128.3 Å²	128.3	83%	0.832	68%	0.681	S	S	*	*			trans	2.1	99.3	171.8	60	0	0	0	0	119
438	V	30.6	Very low	30.3	Very low	144 Å²	144	128.2 Å²	128.2	87%	0.873	69%	0.688	S	S	*	*			trans	-136.2	129.6	142.8	-174.3	0	0	0	0	107.5	D436	D436-V438 PolarHBondContact O-N 3.36Å
439	E	27.7	Very low	30	Very low	181 Å²	181	126.9 Å²	126.9	85%	0.846	70%	0.704	S	S	*	*			trans	-85	171.7	-179.9	-67.4	178.9	108	0	0	112.5
440	E	28.9	Very low	29.5	Very low	182 Å²	182	132.2 Å²	132.2	85%	0.85	72%	0.719	S	S	*	*			trans	73.2	130.9	168.6	-54.4	-162.7	119.6	0	0	119.6
441	T	26.5	Very low	29.4	Very low	130 Å²	130	135.1 Å²	135.1	80%	0.798	74%	0.743	S	S	*	*			trans	58.4	88.5	161.3	53.2	0	0	0	0	119
442	I	30	Very low	28.8	Very low	141 Å²	141	136.8 Å²	136.8	72%	0.723	76%	0.756	S	S	*	*				-153.4	125.2	107.9	-99.7	156.9	0	0	0	108.7	K76	K76-I442 VanDerWaalsContact NZ-CD1 3.29Å
443	E	28.8	Very low	28	Very low	147 Å²	147	139 Å²	139	69%	0.687	78%	0.78	S	S	*	*			trans	-86.5	173.2	175.1	-59.9	-176.1	120.4	0	0	112
444	K	28	Very low	27.8	Very low	175 Å²	175	140.9 Å²	140.9	76%	0.761	80%	0.796	S	S	*	*			trans	69.7	71.5	156.3	-68.4	146.1	-178	152.3	0	116.8
445	A	29.4	Very low	27.7	Very low	104 Å²	104	137.9 Å²	137.9	86%	0.86	80%	0.796	S	S	*	*			trans	-141	60.4	147	0	0	0	0	0	111.1
446	T	27.2	Very low	27.9	Very low	131 Å²	131	135.8 Å²	135.8	80%	0.804	79%	0.794	S	S	*	*			trans	-61.2	155.3	161.9	41.3	0	0	0	0	110.4
447	A	28.6	Very low	27.8	Very low	79 Å²	79	137 Å²	137	65%	0.653	79%	0.793	S	S	*	*			cis	-149.6	149	32.9	0	0	0	0	0	112.1
448	L	27.2	Very low	27.7	Very low	169 Å²	169	140.3 Å²	140.3	89%	0.885	79%	0.793	S	S	*	*				57.9	128.9	96.8	-52.2	174.5	0	0	0	115.1
449	G	27.2	Very low	27.6	Very low	70 Å²	70	139 Å²	139	72%	0.722	79%	0.787	S	S	*	*			cis	177	172.4	-2.2	0	0	0	0	0	115
450	F	24	Very low	27.7	Very low	211 Å²	211	136.8 Å²	136.8	93%	0.925	79%	0.786	S	S	*	*			trans	-67.5	179.6	173	-60.4	-86.1	0	0	0	112.5
451	P	29.2	Very low	27.6	Very low	117 Å²	117	136.2 Å²	136.2	76%	0.76	79%	0.787	S	S	*	*			cis	-140	-173.6	9.2	43.8	-24.8	0	0	0	116.7
452	S	25.3	Very low	27.7	Very low	112 Å²	112	132.9 Å²	132.9	78%	0.783	78%	0.779	S	S	*	*			trans	-84.2	140	168.5	49.5	0	0	0	0	113.1
453	S	28.1	Very low	27.7	Very low	111 Å²	111	135.9 Å²	135.9	78%	0.776	79%	0.787	S	S	*	*			trans	178.7	139.9	138.9	36.3	0	0	0	0	113.8
454	V	27.2	Very low	27.6	Very low	150 Å²	150	137.5 Å²	137.5	91%	0.909	80%	0.795	S	S	*	*			trans	33.3	120.3	146.8	-172.6	0	0	0	0	119.7
455	G	28.2	Very low	28	Very low	65 Å²	65	134.2 Å²	134.2	67%	0.67	79%	0.791	S	S	*	*			trans	147.2	91.2	139.2	0	0	0	0	0	120.3
456	Q	27.7	Very low	28	Very low	178 Å²	178	138.4 Å²	138.4	83%	0.832	79%	0.793	S	S	*	*			trans	58.6	127.4	131.5	-74.1	-170.8	7.4	0	0	123.9
457	F	26.7	Very low	28.2	Very low	160 Å²	160	137.5 Å²	137.5	70%	0.702	79%	0.788	S	S	*	*			trans	73.8	85.3	141.7	-77.1	-67.1	0	0	0	123.4
458	K	25.8	Very low	28.3	Very low	190 Å²	190	141 Å²	141	83%	0.826	79%	0.794	S	S	*	*				72	154.6	126.8	-76.2	-172.3	178.6	-177.7	0	121.4
459	P	28.6	Very low	28.7	Very low	117 Å²	117	137.9 Å²	137.9	76%	0.76	78%	0.783	S	S	*	*			trans	-112.4	174.5	-168.3	43.1	-34.9	0	0	0	115
460	V	28.4	Very low	28.8	Very low	134 Å²	134	141.7 Å²	141.7	81%	0.812	78%	0.782	S	S	*	*			trans	-167.8	130.9	142	131.4	0	0	0	0	114
461	L	27.5	Very low	29.1	Very low	169 Å²	169	139.5 Å²	139.5	89%	0.885	77%	0.773	S	S	*	*			trans	15.2	142.1	154.4	-62.4	150.3	0	0	0	124.2
462	G	29	Very low	29.1	Very low	61 Å²	61	138 Å²	138	63%	0.629	77%	0.77	S	S	*	*			trans	155.2	110.6	136.3	0	0	0	0	0	119.5
463	F	29.8	Very low	29.1	Very low	204 Å²	204	140.4 Å²	140.4	90%	0.895	77%	0.773	S	S	*	*			trans	41.5	130.5	154.1	-58.7	-91.7	0	0	0	121.2
464	Q	27.4	Very low	29.1	Very low	181 Å²	181	140.7 Å²	140.7	85%	0.846	77%	0.771	S	S	*	*			cis	93.4	144.5	42.4	-76.5	-86.6	-56.4	0	0	115.4
465	P	35.5	Very low	29.2	Very low	105 Å²	105	138.5 Å²	138.5	68%	0.682	76%	0.762	S	S	*	*			trans	-131.2	-179.3	-143.2	43.6	-27.8	0	0	0	117.9
466	E	30.4	Very low	29.3	Very low	192 Å²	192	140.9 Å²	140.9	90%	0.897	76%	0.763	S	S	*	*			trans	-141.3	-179.2	169.8	-121.1	175.3	-174.9	0	0	112.8
467	T	31	Very low	29.3	Very low	113 Å²	113	139.4 Å²	139.4	69%	0.693	76%	0.761	S	S	*	*			trans	-153.5	168.7	-152.1	62.6	0	0	0	0	118.2
468	I	31	Very low	29.5	Very low	153 Å²	153	138.9 Å²	138.9	79%	0.785	76%	0.764	S	S	*	*			trans	77.8	149.7	144.5	-81.5	164	0	0	0	119.5
469	P	34	Very low	29.4	Very low	102 Å²	102	138.3 Å²	138.3	66%	0.662	77%	0.765	S	S	*	*			cis	-148.3	-179.3	-29	44.9	-24.9	0	0	0	119.1
470	E	29.8	Very low	29.1	Very low	150 Å²	150	141.1 Å²	141.1	70%	0.701	77%	0.77	S	S	*	*			trans	63.2	138.1	138.7	-84.7	-159.5	132.1	0	0	129.5
471	K	30.1	Very low	29.1	Very low	166 Å²	166	140 Å²	140	72%	0.722	77%	0.768	S	S	*	*			trans	101.2	122.2	132.1	-88.1	175.4	172	82.9	0	125.4
472	A	29.8	Very low	29	Very low	86 Å²	86	138.9 Å²	138.9	71%	0.711	76%	0.763	S	S	*	*				97.3	101.3	129.8	0	0	0	0	0	125.9
473	L	25.7	Very low	28.9	Very low	161 Å²	161	142.2 Å²	142.2	84%	0.843	77%	0.771	S	S	*	*				72.1	144.1	120.6	-82.1	145.2	0	0	0	127
474	T	26.8	Very low	28.7	Very low	118 Å²	118	138.5 Å²	138.5	72%	0.724	77%	0.771	S	S	*	*			trans	88.1	118.9	148.5	39.7	0	0	0	0	125.5
475	S	29.9	Very low	28.6	Very low	103 Å²	103	133.4 Å²	133.4	72%	0.72	77%	0.767	S	S	*	*			trans	59.8	147.9	139.5	58.2	0	0	0	0	122.9
476	T	30.8	Very low	28.3	Very low	115 Å²	115	135.6 Å²	135.6	71%	0.706	77%	0.771	S	S	*	*			cis	-167	135.5	-17.7	26.4	0	0	0	0	110.1
477	D	26.7	Very low	28.1	Very low	147 Å²	147	130.1 Å²	130.1	79%	0.786	75%	0.752	S	S	*	*			trans	58.3	153.1	143.9	-48.2	-28.1	0	0	0	125.3
478	I	30.7	Very low	28.1	Very low	150 Å²	150	126.9 Å²	126.9	77%	0.769	74%	0.741	S	S	*	*			trans	90.8	84.5	162.1	-45	-172	0	0	0	119.6
479	E	24.7	Very low	28.4	Very low	178 Å²	178	126.5 Å²	126.5	83%	0.832	74%	0.736	S	S	*	*			trans	67.6	144.9	133.1	-60.6	-166.8	153.1	0	0	124.9
480	M	22.9	Very low	28.3	Very low	176 Å²	176	128.2 Å²	128.2	87%	0.867	73%	0.733	S	S	*	*			trans	79.6	147.5	167.5	-61.9	-168.6	67.6	0	0	120.1
481	S	28.3	Very low	28.7	Very low	110 Å²	110	126.6 Å²	126.6	77%	0.769	73%	0.729	S	S	*	*			trans	73.4	114.3	174.8	65.6	0	0	0	0	119.9
482	D	24.2	Very low	29.6	Very low	146 Å²	146	122.7 Å²	122.7	78%	0.781	72%	0.716	S	S	*	*			trans	31.3	140.2	133.3	-57.6	-39.9	0	0	0	124
483	T	26.3	Very low	30.7	Very low	130 Å²	130	121 Å²	121	80%	0.798	70%	0.695	S	S	*	*			trans	79.3	141.1	159.1	70.1	0	0	0	0	120.7
484	S	26.3	Very low	32.1	Very low	127 Å²	127	114.5 Å²	114.5	89%	0.888	66%	0.664	S	S	*	*			trans	68.8	146.4	168.5	77.1	0	0	0	0	117.6
485	G	26.5	Very low	33.8	Very low	74 Å²	74	112.4 Å²	112.4	76%	0.763	65%	0.649	S	S	*	*			trans	111.9	34.1	164.3	0	0	0	0	0	119.5
486	I	27.7	Very low	35.4	Very low	151 Å²	151	107.5 Å²	107.5	77%	0.774	61%	0.614	S	S	*	*			trans	-93.5	122.9	155.1	-59.9	-178.8	0	0	0	107.8	F490	I486-F490 HydrophobicContact CG2-CB 4.25Å
487	P	27.9	Very low	37	Very low	77 Å²	77	102.1 Å²	102.1	50%	0.5	58%	0.581	S	S	.	*			trans	-65.8	142.5	-176.6	-22	33.4	0	0	0	113.2	Q489 F490	P487-Q489 PolarHBondContact O-N 3.27Å; P487-Q489 VanDerWaalsContact O-N 3.08Å; P487-F490 PolarHBondContact O-N 2.69Å
488	G	30.3	Very low	38.8	Very low	45 Å²	45	97.4 Å²	97.4	46%	0.464	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.7	-30	178.9	0	0	0	0	0	114.4	F490 L491 D492	G488-F490 PolarHBondContact O-N 2.92Å; G488-L491 WeakPolarHBondContact O-CB 3.4Å; G488-L491 PolarHBondContact O-N 2.95Å; G488-D492 PolarHBondContact O-N 3.08Å; G488-D492 VanDerWaalsContact O-N 3.16Å
489	Q	36.2	Very low	40.4	Very low	144 Å²	144	92.7 Å²	92.7	67%	0.673	53%	0.531	S	S	*	.	H	α-helix	trans	-50.5	-30.5	173.8	-68	177.4	-25.6	0	0	114	P487 N493	P487-Q489 PolarHBondContact O-N 3.27Å; P487-Q489 VanDerWaalsContact O-N 3.08Å; Q489-N493 VanDerWaalsContact O-CB 3.32Å; Q489-N493 WeakPolarHBondContact O-CB 3.39Å; Q489-N493 VanDerWaalsContact O-CG 3.3Å; Q489-N493 PolarHBondContact O-N 2.75Å
490	F	33.1	Very low	42.4	Very low	139 Å²	139	84.4 Å²	84.4	61%	0.61	49%	0.492	S	S	*	.	H	α-helix	trans	-72.4	-28.6	177.6	-112.5	-77.9	0	0	0	113.3	I486 P487 G488 A494	I486-F490 HydrophobicContact CG2-CB 4.25Å; P487-F490 PolarHBondContact O-N 2.69Å; G488-F490 PolarHBondContact O-N 2.92Å; F490-A494 WeakPolarHBondContact O-CB 3.3Å; F490-A494 PolarHBondContact O-N 3.11Å
491	L	37	Very low	44.4	Very low	116 Å²	116	77 Å²	77	61%	0.607	46%	0.456	S	S	*	.	H	α-helix	trans	-80.9	-44.1	176.2	-82.6	149.5	0	0	0	111.2	G488 N493 A494 N495	G488-L491 WeakPolarHBondContact O-CB 3.4Å; G488-L491 PolarHBondContact O-N 2.95Å; L491-N493 PolarHBondContact O-N 3.33Å; L491-A494 PolarHBondContact O-N 2.83Å; L491-A494 VanDerWaalsContact O-N 3.1Å; L491-N495 WeakPolarHBondContact O-CB 3.4Å; L491-N495 VanDerWaalsContact O-CG 3.23Å; L491-N495 PolarHBondContact O-N 3.31Å; L491-N495 PolarHBondContact O-ND2 2.94Å
492	D	50.2	Low	46.1	Very low	83 Å²	83	73.5 Å²	73.5	44%	0.444	43%	0.429	S	S	.	.	H	α-helix	trans	-59.6	-35.4	178.7	-58.5	-31.9	0	0	0	112.5	K200 G488 D496	K200-D492 PolarHBondContact NZ-O 3.14Å; G488-D492 PolarHBondContact O-N 3.08Å; G488-D492 VanDerWaalsContact O-N 3.16Å; D492-D496 PolarHBondContact O-N 3.01Å
493	N	53.3	Low	47.9	Very low	52 Å²	52	70 Å²	70	28%	0.278	41%	0.405	S	S	.	.	H	α-helix	trans	-75.3	-36.3	176.2	-80.2	-0.3	0	0	0	112.7	L71 Q489 L491 L497	L71-N493 HydrophobicContact CD2-CB 3.71Å; Q489-N493 VanDerWaalsContact O-CB 3.32Å; Q489-N493 WeakPolarHBondContact O-CB 3.39Å; Q489-N493 VanDerWaalsContact O-CG 3.3Å; Q489-N493 PolarHBondContact O-N 2.75Å; L491-N493 PolarHBondContact O-N 3.33Å; N493-L497 PolarHBondContact O-N 2.85Å
494	A	54.6	Low	49.4	Very low	23 Å²	23	64 Å²	64	19%	0.19	37%	0.368	C	S	.	.	H	α-helix	trans	-70.5	-33.8	174.8	0	0	0	0	0	112.1	L73 F490 L491 L497 L498	L73-A494 HydrophobicContact CD1-CB 4.44Å; F490-A494 WeakPolarHBondContact O-CB 3.3Å; F490-A494 PolarHBondContact O-N 3.11Å; L491-A494 PolarHBondContact O-N 2.83Å; L491-A494 VanDerWaalsContact O-N 3.1Å; A494-L497 PolarHBondContact O-N 3Å; A494-L498 VanDerWaalsContact O-CB 3.29Å; A494-L498 WeakPolarHBondContact O-CB 3.32Å; A494-L498 PolarHBondContact O-N 2.78Å
495	N	62.1	Low	50.6	Low	75 Å²	75	59.1 Å²	59.1	40%	0.401	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-45.7	176.5	-74	-22.4	0	0	0	111.9	L491 L497 L498 M499	L491-N495 WeakPolarHBondContact O-CB 3.4Å; L491-N495 VanDerWaalsContact O-CG 3.23Å; L491-N495 PolarHBondContact O-N 3.31Å; L491-N495 PolarHBondContact O-ND2 2.94Å; N495-L497 PolarHBondContact O-N 3.46Å; N495-L498 PolarHBondContact O-N 2.75Å; N495-M499 WeakPolarHBondContact O-CB 3.45Å; N495-M499 WeakPolarHBondContact O-CG 3.32Å; N495-M499 PolarHBondContact O-N 2.62Å
496	D	64	Low	51.9	Low	0 Å²	0	59 Å²	59	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-39.5	177.6	-67.7	-4.3	0	0	0	112.1	T127 S130 K200 D492 L500	T127-D496 WeakPolarHBondContact CG2-OD1 3.44Å; T127-D496 PolarHBondContact OG1-OD1 2.82Å; S130-D496 PolarHBondContact OG-OD1 2.87Å; K200-D496 WeakPolarHBondContact CD-OD2 3.38Å; K200-D496 WeakPolarHBondContact CE-OD2 3.5Å; K200-D496 IonicContact NZ-OD1 3.76Å; K200-D496 PolarHBondContact NZ-OD1 3.35Å; K200-D496 IonicContact NZ-OD2 3.3Å; K200-D496 PolarHBondContact NZ-OD2 3.03Å; D492-D496 PolarHBondContact O-N 3.01Å; D496-L500 VanDerWaalsContact O-CB 3.25Å; D496-L500 WeakPolarHBondContact O-CB 3.45Å; D496-L500 PolarHBondContact O-N 2.88Å
497	L	63.3	Low	53	Low	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-44.4	174.3	174.8	61.2	0	0	0	111.4	L71 L73 I82 N493 A494 N495 L500 L501	L71-L497 HydrophobicContact CB-CB 4.35Å; L71-L497 HydrophobicContact CB-CD2 3.91Å; L71-L497 HydrophobicContact CD1-CB 4.34Å; L71-L497 WeakPolarHBondContact O-CD2 3.49Å; L73-L497 HydrophobicContact CB-CD2 3.96Å; I82-L497 HydrophobicContact CD1-CD1 3.52Å; I82-L497 HydrophobicContact CG1-CD1 3.89Å; N493-L497 PolarHBondContact O-N 2.85Å; A494-L497 PolarHBondContact O-N 3Å; N495-L497 PolarHBondContact O-N 3.46Å; L497-L500 PolarHBondContact O-N 3.35Å; L497-L501 HydrophobicContact CD1-CD1 4.13Å; L497-L501 HydrophobicContact CD1-CG 4.2Å; L497-L501 HydrophobicContact CG-CD1 4.18Å; L497-L501 WeakPolarHBondContact O-CB 3.31Å; L497-L501 VanDerWaalsContact O-CG 3.28Å; L497-L501 WeakPolarHBondContact O-CG 3.47Å; L497-L501 PolarHBondContact O-N 2.8Å
498	L	64.8	Low	53.8	Low	49 Å²	49	50 Å²	50	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-44.7	177.4	-178.3	63.1	0	0	0	110.9	L73 F432 A494 N495 L501 L502	L73-L498 HydrophobicContact CD2-CD1 4.2Å; F432-L498 HydrophobicContact CB-CD1 4.49Å; F432-L498 HydrophobicContact CD1-CD1 4.05Å; F432-L498 HydrophobicContact CD2-CD1 3.38Å; F432-L498 HydrophobicContact CE1-CD1 4.14Å; F432-L498 HydrophobicContact CE2-CD1 3.47Å; F432-L498 VanDerWaalsContact CE2-CD1 3.47Å; F432-L498 HydrophobicContact CG-CD1 3.68Å; F432-L498 HydrophobicContact CZ-CD1 3.86Å; A494-L498 VanDerWaalsContact O-CB 3.29Å; A494-L498 WeakPolarHBondContact O-CB 3.32Å; A494-L498 PolarHBondContact O-N 2.78Å; N495-L498 PolarHBondContact O-N 2.75Å; L498-L501 PolarHBondContact O-N 3.22Å; L498-L502 HydrophobicContact CD1-CD1 4.48Å; L498-L502 HydrophobicContact CG-CD1 4.1Å; L498-L502 VanDerWaalsContact O-CG 3.28Å; L498-L502 WeakPolarHBondContact O-CG 3.38Å; L498-L502 PolarHBondContact O-N 3.15Å
499	M	65.6	Low	54.5	Low	51 Å²	51	52.6 Å²	52.6	25%	0.251	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-43.2	174.2	-79.6	-63.3	-72	0	0	112	L126 T127 N495 L501 L502 R503	L126-M499 WeakPolarHBondContact O-CB 3.4Å; L126-M499 VanDerWaalsContact O-CE 3.23Å; L126-M499 WeakPolarHBondContact O-CE 3.33Å; T127-M499 HydrophobicContact CG2-CB 4.3Å; T127-M499 HydrophobicContact CG2-CG 3.79Å; N495-M499 WeakPolarHBondContact O-CB 3.45Å; N495-M499 WeakPolarHBondContact O-CG 3.32Å; N495-M499 PolarHBondContact O-N 2.62Å; M499-L501 VanDerWaalsContact C-N 3.28Å; M499-L501 PolarHBondContact O-N 2.84Å; M499-L502 PolarHBondContact O-N 2.95Å; M499-L502 HydrophobicContact SD-CD1 4.34Å; M499-R503 HydrophobicContact CE-CG 4.37Å; M499-R503 VanDerWaalsContact O-CB 3.25Å; M499-R503 WeakPolarHBondContact O-CB 3.3Å; M499-R503 VanDerWaalsContact O-CG 3.24Å; M499-R503 WeakPolarHBondContact O-CG 3.22Å; M499-R503 PolarHBondContact O-N 3.32Å
500	L	65.1	Low	54.8	Low	4 Å²	4	47.9 Å²	47.9	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-35.8	175.9	-167.8	151.8	0	0	0	111.3	I82 L114 L119 L126 W201 D496 L497 A504	I82-L500 HydrophobicContact CD1-CD2 3.78Å; L114-L500 HydrophobicContact CD1-CD2 3.57Å; L114-L500 HydrophobicContact CD1-CG 4.32Å; L119-L500 HydrophobicContact CD2-CD1 4.33Å; L126-L500 HydrophobicContact CD1-CD1 4.36Å; L126-L500 HydrophobicContact CD2-CB 4.22Å; L126-L500 HydrophobicContact CD2-CD1 4.46Å; L126-L500 HydrophobicContact CD2-CG 4.46Å; W201-L500 HydrophobicContact CH2-CD1 3.89Å; W201-L500 HydrophobicContact CZ2-CD1 3.65Å; D496-L500 VanDerWaalsContact O-CB 3.25Å; D496-L500 WeakPolarHBondContact O-CB 3.45Å; D496-L500 PolarHBondContact O-N 2.88Å; L497-L500 PolarHBondContact O-N 3.35Å; L500-A504 WeakPolarHBondContact O-CA 3.39Å; L500-A504 VanDerWaalsContact O-CB 3.23Å; L500-A504 WeakPolarHBondContact O-CB 3.44Å; L500-A504 PolarHBondContact O-N 3.31Å
501	L	66.5	Low	55.2	Low	20 Å²	20	45 Å²	45	11%	0.105	24%	0.239	C	C	.	.	H	α-helix	trans	-75	-30.4	174.7	-69	174.3	0	0	0	114.3	L92 L112 F432 L497 L498 M499 A504	L92-L501 HydrophobicContact CD1-CD1 4.15Å; L92-L501 HydrophobicContact CD1-CD2 3.99Å; L92-L501 HydrophobicContact CD2-CD2 4.29Å; L112-L501 HydrophobicContact CD1-CD2 3.86Å; L112-L501 HydrophobicContact CD2-CD2 3.66Å; L112-L501 HydrophobicContact CG-CD2 4.42Å; F432-L501 HydrophobicContact CE2-CB 4.32Å; F432-L501 HydrophobicContact CZ-CD1 4.18Å; L497-L501 HydrophobicContact CD1-CD1 4.13Å; L497-L501 HydrophobicContact CD1-CG 4.2Å; L497-L501 HydrophobicContact CG-CD1 4.18Å; L497-L501 WeakPolarHBondContact O-CB 3.31Å; L497-L501 VanDerWaalsContact O-CG 3.28Å; L497-L501 WeakPolarHBondContact O-CG 3.47Å; L497-L501 PolarHBondContact O-N 2.8Å; L498-L501 PolarHBondContact O-N 3.22Å; M499-L501 VanDerWaalsContact C-N 3.28Å; M499-L501 PolarHBondContact O-N 2.84Å; L501-A504 WeakPolarHBondContact O-CB 3.44Å
502	L	62.7	Low	54.9	Low	37 Å²	37	42.2 Å²	42.2	19%	0.194	23%	0.23	C	C	.	.	H	α-helix	trans	-72.4	-54.6	172.5	-70.9	167.7	0	0	0	110.1	Q430 F432 L498 M499 A504 S505	Q430-L502 HydrophobicContact CB-CD2 4.24Å; Q430-L502 VanDerWaalsContact CD-CD2 3.46Å; Q430-L502 HydrophobicContact CG-CD2 4Å; F432-L502 HydrophobicContact CD2-CD2 4.33Å; L498-L502 HydrophobicContact CD1-CD1 4.48Å; L498-L502 HydrophobicContact CG-CD1 4.1Å; L498-L502 VanDerWaalsContact O-CG 3.28Å; L498-L502 WeakPolarHBondContact O-CG 3.38Å; L498-L502 PolarHBondContact O-N 3.15Å; M499-L502 PolarHBondContact O-N 2.95Å; M499-L502 HydrophobicContact SD-CD1 4.34Å; L502-A504 PolarHBondContact O-N 3.39Å; L502-S505 WeakPolarHBondContact O-CB 3.36Å; L502-S505 PolarHBondContact O-N 3.26Å; L502-S505 PolarHBondContact O-OG 2.91Å
503	R	62.8	Low	53.9	Low	73 Å²	73	44.1 Å²	44.1	28%	0.275	25%	0.246	S	C	.	.	H	α-helix	trans	-60.6	-26.8	175.3	-64.1	-61.8	-172	177.8	-1.6	112.4	M499 S505 E506 I507	M499-R503 HydrophobicContact CE-CG 4.37Å; M499-R503 VanDerWaalsContact O-CB 3.25Å; M499-R503 WeakPolarHBondContact O-CB 3.3Å; M499-R503 VanDerWaalsContact O-CG 3.24Å; M499-R503 WeakPolarHBondContact O-CG 3.22Å; M499-R503 PolarHBondContact O-N 3.32Å; R503-S505 PolarHBondContact O-N 2.78Å; R503-S505 VanDerWaalsContact O-N 3.15Å; R503-E506 WeakPolarHBondContact CD-OE1 3.48Å; R503-E506 WeakPolarHBondContact CD-OE2 3.43Å; R503-E506 IonicContact CZ-OE2 3.71Å; R503-E506 IonicContact NE-OE2 2.66Å; R503-E506 IonicContact NH1-OE1 3.42Å; R503-E506 PolarHBondContact NH1-OE1 2.7Å; R503-E506 IonicContact NH1-OE2 3.68Å; R503-E506 PolarHBondContact NH1-OE2 3.06Å; R503-E506 WeakPolarHBondContact O-CB 3.35Å; R503-E506 PolarHBondContact O-N 3.49Å; R503-I507 HydrophobicContact CB-CD1 4.06Å; R503-I507 WeakPolarHBondContact O-CB 3.14Å; R503-I507 VanDerWaalsContact O-CG1 3.28Å; R503-I507 WeakPolarHBondContact O-CG1 3.21Å; R503-I507 PolarHBondContact O-N 2.89Å
504	A	57.5	Low	52.7	Low	3 Å²	3	44.3 Å²	44.3	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-51.1	-38.6	170.7	0	0	0	0	0	111.9	L114 L500 L501 L502 E506 A508	L114-A504 HydrophobicContact CD1-CB 3.57Å; L114-A504 HydrophobicContact CG-CB 3.81Å; L500-A504 WeakPolarHBondContact O-CA 3.39Å; L500-A504 VanDerWaalsContact O-CB 3.23Å; L500-A504 WeakPolarHBondContact O-CB 3.44Å; L500-A504 PolarHBondContact O-N 3.31Å; L501-A504 WeakPolarHBondContact O-CB 3.44Å; L502-A504 PolarHBondContact O-N 3.39Å; A504-E506 VanDerWaalsContact C-N 3.31Å; A504-E506 PolarHBondContact O-N 2.84Å; A504-A508 VanDerWaalsContact O-CB 3.22Å; A504-A508 WeakPolarHBondContact O-CB 3.31Å; A504-A508 PolarHBondContact O-N 2.72Å
505	S	51.9	Low	51.5	Low	25 Å²	25	45.7 Å²	45.7	18%	0.175	27%	0.268	C	S	.	.	H	α-helix	trans	-72.5	-21.4	179	70.4	0	0	0	0	114.3	L502 R503 V509	L502-S505 WeakPolarHBondContact O-CB 3.36Å; L502-S505 PolarHBondContact O-N 3.26Å; L502-S505 PolarHBondContact O-OG 2.91Å; R503-S505 PolarHBondContact O-N 2.78Å; R503-S505 VanDerWaalsContact O-N 3.15Å; S505-V509 WeakPolarHBondContact O-CG2 3.18Å
506	E	53.5	Low	49.9	Very low	70 Å²	70	48.1 Å²	48.1	33%	0.327	28%	0.28	S	S	.	.	H	α-helix	trans	-87	-46.7	174.8	-61.1	165	-150.8	0	0	110.6	R503 A504 A508 V509 N510	R503-E506 WeakPolarHBondContact CD-OE1 3.48Å; R503-E506 WeakPolarHBondContact CD-OE2 3.43Å; R503-E506 IonicContact CZ-OE2 3.71Å; R503-E506 IonicContact NE-OE2 2.66Å; R503-E506 IonicContact NH1-OE1 3.42Å; R503-E506 PolarHBondContact NH1-OE1 2.7Å; R503-E506 IonicContact NH1-OE2 3.68Å; R503-E506 PolarHBondContact NH1-OE2 3.06Å; R503-E506 WeakPolarHBondContact O-CB 3.35Å; R503-E506 PolarHBondContact O-N 3.49Å; A504-E506 VanDerWaalsContact C-N 3.31Å; A504-E506 PolarHBondContact O-N 2.84Å; E506-A508 PolarHBondContact O-N 3.17Å; E506-V509 WeakPolarHBondContact O-CB 3.48Å; E506-V509 PolarHBondContact O-N 3.39Å; E506-N510 PolarHBondContact O-N 2.89Å
507	I	51.2	Low	48.2	Very low	23 Å²	23	55.7 Å²	55.7	12%	0.118	32%	0.315	C	S	.	.	H	α-helix	trans	-63.3	-29.2	176.7	-58.4	165	0	0	0	110.3	L114 R503 N510 H511	L114-I507 HydrophobicContact CD2-CB 3.62Å; L114-I507 HydrophobicContact CD2-CD1 3.89Å; L114-I507 HydrophobicContact CD2-CG1 4.36Å; L114-I507 HydrophobicContact CD2-CG2 3.38Å; R503-I507 HydrophobicContact CB-CD1 4.06Å; R503-I507 WeakPolarHBondContact O-CB 3.14Å; R503-I507 VanDerWaalsContact O-CG1 3.28Å; R503-I507 WeakPolarHBondContact O-CG1 3.21Å; R503-I507 PolarHBondContact O-N 2.89Å; I507-N510 WeakPolarHBondContact O-CB 3.11Å; I507-N510 PolarHBondContact O-N 2.86Å; I507-H511 PolarHBondContact O-N 3.16Å
508	A	43.6	Very low	46.4	Very low	17 Å²	17	63 Å²	63	14%	0.14	35%	0.354	C	S	.	.	H	α-helix	trans	-55.7	-47.9	168.3	0	0	0	0	0	113.9	P113 A504 E506 N510	P113-A508 HydrophobicContact CB-CB 3.4Å; P113-A508 VanDerWaalsContact CB-CB 3.4Å; P113-A508 HydrophobicContact CG-CB 3.41Å; P113-A508 VanDerWaalsContact CG-CB 3.41Å; A504-A508 VanDerWaalsContact O-CB 3.22Å; A504-A508 WeakPolarHBondContact O-CB 3.31Å; A504-A508 PolarHBondContact O-N 2.72Å; E506-A508 PolarHBondContact O-N 3.17Å; A508-N510 PolarHBondContact O-N 2.79Å
509	V	45.2	Very low	44.7	Very low	100 Å²	100	64.3 Å²	64.3	61%	0.606	37%	0.368	S	S	*	.	H	α-helix	trans	-68.9	-21.7	-177.9	173.1	0	0	0	0	110.4	S505 E506	S505-V509 WeakPolarHBondContact O-CG2 3.18Å; E506-V509 WeakPolarHBondContact O-CB 3.48Å; E506-V509 PolarHBondContact O-N 3.39Å
510	N	43.4	Very low	42.9	Very low	44 Å²	44	72.9 Å²	72.9	24%	0.235	40%	0.397	C	S	.	.	H	α-helix	trans	-89.3	-37.4	179.1	-73.1	-10.5	0	0	0	114.1	E506 I507 A508 L779 V781	E506-N510 PolarHBondContact O-N 2.89Å; I507-N510 WeakPolarHBondContact O-CB 3.11Å; I507-N510 PolarHBondContact O-N 2.86Å; A508-N510 PolarHBondContact O-N 2.79Å; N510-L779 HydrophobicContact CB-CD2 3.53Å; N510-V781 WeakPolarHBondContact ND2-CG2 3.41Å; N510-V781 WeakPolarHBondContact OD1-CG2 3.26Å
511	H	40.9	Very low	41	Very low	78 Å²	78	78.1 Å²	78.1	36%	0.361	43%	0.434	S	S	.	.			trans	-108.7	30.6	-172.7	-74.6	-71.7	0	0	0	114.6	S121 I507 P513	S121-H511 PolarHBondContact OG-CE1 2.82Å; S121-H511 PolarHBondContact OG-NE2 2.94Å; I507-H511 PolarHBondContact O-N 3.16Å; H511-P513 WeakPolarHBondContact O-CD 3.31Å
512	S	31.5	Very low	39.2	Very low	59 Å²	59	85.3 Å²	85.3	41%	0.413	47%	0.472	S	S	.	.			trans	-64.2	110.4	161.9	63.9	0	0	0	0	109.6	S514	S512-S514 PolarHBondContact O-N 2.89Å
513	P	27.9	Very low	37.4	Very low	123 Å²	123	87.2 Å²	87.2	80%	0.799	50%	0.5	S	S	*	.			trans	-66.1	135.7	178.2	29.6	-34.3	0	0	0	108.9	H511	H511-P513 WeakPolarHBondContact O-CD 3.31Å
514	S	29.5	Very low	35.8	Very low	56 Å²	56	93.6 Å²	93.6	39%	0.392	53%	0.53	S	S	.	.			trans	-145	108.9	176.1	58.3	0	0	0	0	111.1	S512 R632	S512-S514 PolarHBondContact O-N 2.89Å; S514-R632 PolarHBondContact O-NH2 3.12Å; S514-R632 PolarHBondContact OG-NH1 2.9Å; S514-R632 PolarHBondContact OG-NH2 3.1Å
515	G	28.3	Very low	34.4	Very low	51 Å²	51	100.3 Å²	100.3	53%	0.526	57%	0.566	S	S	.	*			trans	92.1	100.7	-176.9	0	0	0	0	0	113.9	D713	G515-D713 VanDerWaalsContact CA-OD2 3.28Å; G515-D713 WeakPolarHBondContact CA-OD2 3.5Å; G515-D713 PolarHBondContact N-OD2 3.21Å
516	I	28.5	Very low	33.3	Very low	126 Å²	126	107 Å²	107	65%	0.646	60%	0.598	S	S	*	*			trans	-103.9	139.2	167.1	-84.1	177.1	0	0	0	109.6
517	E	27.9	Very low	32.2	Very low	160 Å²	160	108.6 Å²	108.6	75%	0.748	62%	0.618	S	S	*	*			trans	32	109.8	156.9	-61.9	-164.7	159.1	0	0	120.7
518	N	26	Very low	31.3	Very low	153 Å²	153	114 Å²	114	82%	0.818	65%	0.652	S	S	*	*				72	103.7	85.1	-71.4	-47.6	0	0	0	116.8
519	S	29.8	Very low	30.8	Very low	78 Å²	78	122.1 Å²	122.1	55%	0.545	68%	0.68	S	S	.	*			trans	-151.5	126	142.2	63.7	0	0	0	0	111.3	S717	S519-S717 WeakPolarHBondContact OG-CB 3.5Å
520	R	26.4	Very low	30.3	Very low	230 Å²	230	126.4 Å²	126.4	87%	0.868	69%	0.691	S	S	*	*			trans	-123.3	123.2	175.2	-82.6	-175.6	172.8	-172.3	-2.1	111.4
521	S	26.9	Very low	30	Very low	115 Å²	115	132.6 Å²	132.6	80%	0.804	72%	0.72	S	S	*	*			trans	-140.5	103.1	151.2	42.8	0	0	0	0	107.1
522	L	27.1	Very low	29.9	Very low	171 Å²	171	135.6 Å²	135.6	90%	0.895	74%	0.735	S	S	*	*				62.8	110.8	97.5	-111.1	77.1	0	0	0	113.9
523	G	25.7	Very low	30.2	Very low	76 Å²	76	138.7 Å²	138.7	78%	0.784	75%	0.746	S	S	*	*			trans	-164	69	176.4	0	0	0	0	0	110.3
524	F	30.2	Very low	30.9	Very low	207 Å²	207	139 Å²	139	91%	0.908	74%	0.74	S	S	*	*			trans	-81.9	144.2	173.9	-102.5	-86.9	0	0	0	110.9
525	N	27.8	Very low	31.6	Very low	145 Å²	145	141.6 Å²	141.6	78%	0.775	75%	0.753	S	S	*	*			trans	-64.3	142.1	170.7	-64.9	-68.2	0	0	0	111.1
526	L	27.9	Very low	32.4	Very low	164 Å²	164	144.7 Å²	144.7	86%	0.859	76%	0.757	S	S	*	*				-158.9	147.8	106.7	-129.5	70.6	0	0	0	112.3
527	S	31.7	Very low	33.4	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	75%	0.749	S	S	*	*			trans	-85	124.2	177.8	53.4	0	0	0	0	111.9
528	T	32.4	Very low	34.3	Very low	135 Å²	135	136.4 Å²	136.4	83%	0.828	73%	0.731	S	S	*	*	S	Bend	trans	-167.5	-9.3	150.5	16.6	0	0	0	0	117
529	Y	31.3	Very low	35.6	Very low	189 Å²	189	133.5 Å²	133.5	74%	0.741	72%	0.718	S	S	*	*			trans	-111.9	11.2	-175.5	-95.7	-83.9	0	0	0	116.5	M531	Y529-M531 PolarHBondContact O-N 3.45Å
530	F	34.8	Very low	36.9	Very low	189 Å²	189	135.1 Å²	135.1	83%	0.829	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	2.8	-165.2	-150.1	-100.6	0	0	0	116.6
531	M	37.2	Very low	38.1	Very low	174 Å²	174	133.1 Å²	133.1	86%	0.857	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	0.3	-174.1	-79.3	-67	-166.8	0	0	115.5	Y529	Y529-M531 PolarHBondContact O-N 3.45Å
532	Q	38.5	Very low	39.3	Very low	141 Å²	141	135.6 Å²	135.6	66%	0.659	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	-21.5	-178.1	-73	178.6	-28	0	0	114.6
533	L	38.8	Very low	40.5	Very low	124 Å²	124	131 Å²	131	65%	0.649	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-79.3	-22.2	-175.8	-147.1	73	0	0	0	114.2	V535 L536 T537	L533-V535 PolarHBondContact O-N 2.78Å; L533-V535 VanDerWaalsContact O-N 3.13Å; L533-L536 PolarHBondContact O-N 3.29Å; L533-T537 PolarHBondContact O-OG1 3.31Å
534	L	42.5	Very low	41.9	Very low	130 Å²	130	129.7 Å²	129.7	68%	0.681	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-64.8	-13.5	-177.4	-88.9	163.7	0	0	0	114.8
535	V	44.2	Very low	43	Very low	110 Å²	110	125.5 Å²	125.5	67%	0.667	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-90.7	-33.1	-178.5	-173.1	0	0	0	0	112.3	L533	L533-V535 PolarHBondContact O-N 2.78Å; L533-V535 VanDerWaalsContact O-N 3.13Å
536	L	45.4	Very low	44.1	Very low	116 Å²	116	127.8 Å²	127.8	61%	0.607	65%	0.652	S	S	*	*	H	α-helix	trans	-83.7	-39.2	-178.6	-80.9	104.9	0	0	0	113.4	L533 G538 V539 I540	L533-L536 PolarHBondContact O-N 3.29Å; L536-G538 VanDerWaalsContact C-N 3.27Å; L536-G538 PolarHBondContact O-N 3.43Å; L536-V539 PolarHBondContact O-N 3.11Å; L536-V539 VanDerWaalsContact O-N 3.09Å; L536-I540 PolarHBondContact O-N 2.78Å
537	T	49.8	Very low	45.2	Very low	76 Å²	76	125.3 Å²	125.3	47%	0.466	64%	0.639	S	S	.	*	H	α-helix	trans	-61.4	-36.4	-177.5	52.1	0	0	0	0	112.2	L533 V539 I540 Y541	L533-T537 PolarHBondContact O-OG1 3.31Å; T537-V539 VanDerWaalsContact C-N 3.34Å; T537-V539 PolarHBondContact O-N 3.11Å; T537-I540 PolarHBondContact O-N 3.25Å; T537-Y541 WeakPolarHBondContact O-CB 3.31Å; T537-Y541 PolarHBondContact O-N 3.04Å
538	G	47	Very low	45.9	Very low	36 Å²	36	126.4 Å²	126.4	37%	0.371	63%	0.634	S	S	.	*	H	α-helix	trans	-61.1	-36.4	174.6	0	0	0	0	0	114.1	L536 F542	L536-G538 VanDerWaalsContact C-N 3.27Å; L536-G538 PolarHBondContact O-N 3.43Å; G538-F542 WeakPolarHBondContact O-CB 3.36Å; G538-F542 PolarHBondContact O-N 3Å
539	V	52.5	Low	46.5	Very low	92 Å²	92	123.9 Å²	123.9	56%	0.558	62%	0.615	S	S	*	*	H	α-helix	trans	-73.6	-39.6	179.8	-179.7	0	0	0	0	111.3	L536 T537 F542 T543	L536-V539 PolarHBondContact O-N 3.11Å; L536-V539 VanDerWaalsContact O-N 3.09Å; T537-V539 VanDerWaalsContact C-N 3.34Å; T537-V539 PolarHBondContact O-N 3.11Å; V539-F542 PolarHBondContact O-N 3.44Å; V539-T543 WeakPolarHBondContact O-CG2 3.49Å; V539-T543 PolarHBondContact O-N 3.27Å; V539-T543 PolarHBondContact O-OG1 3.44Å
540	I	56.2	Low	47.2	Very low	113 Å²	113	119 Å²	119	58%	0.579	61%	0.605	S	S	*	*	H	α-helix	trans	-66.4	-42.9	175.8	-62.9	170.9	0	0	0	110	L536 T537 F542 T543 A544	L536-I540 PolarHBondContact O-N 2.78Å; T537-I540 PolarHBondContact O-N 3.25Å; I540-F542 PolarHBondContact O-N 2.85Å; I540-T543 PolarHBondContact O-N 3.45Å; I540-T543 PolarHBondContact O-OG1 2.86Å; I540-T543 VanDerWaalsContact O-OG1 3.11Å; I540-A544 VanDerWaalsContact O-CB 3.28Å; I540-A544 WeakPolarHBondContact O-CB 3.21Å; I540-A544 PolarHBondContact O-N 2.97Å
541	Y	52.4	Low	47.3	Very low	187 Å²	187	117.4 Å²	117.4	73%	0.733	60%	0.598	S	S	*	*	H	α-helix	trans	-65.3	-40.7	178.1	-146.2	-90.3	0	0	0	112.3	T537 H545	T537-Y541 WeakPolarHBondContact O-CB 3.31Å; T537-Y541 PolarHBondContact O-N 3.04Å; Y541-H545 WeakPolarHBondContact O-CB 3.44Å; Y541-H545 PolarHBondContact O-N 3.47Å
542	F	51.5	Low	47.4	Very low	167 Å²	167	114.9 Å²	114.9	73%	0.732	59%	0.586	S	S	*	*	H	α-helix	trans	-63.9	-45.1	174.9	-108.7	-91.5	0	0	0	112.7	G538 V539 I540 H545 W546	G538-F542 WeakPolarHBondContact O-CB 3.36Å; G538-F542 PolarHBondContact O-N 3Å; V539-F542 PolarHBondContact O-N 3.44Å; I540-F542 PolarHBondContact O-N 2.85Å; F542-H545 PolarHBondContact O-N 2.77Å; F542-W546 WeakPolarHBondContact O-CB 3.4Å; F542-W546 PolarHBondContact O-N 3.36Å
543	T	53.2	Low	47.2	Very low	75 Å²	75	114.7 Å²	114.7	46%	0.46	59%	0.59	S	S	.	*	H	α-helix	trans	-69.7	-41.5	-179.3	48.8	0	0	0	0	112.2	V539 I540 W546 I547	V539-T543 WeakPolarHBondContact O-CG2 3.49Å; V539-T543 PolarHBondContact O-N 3.27Å; V539-T543 PolarHBondContact O-OG1 3.44Å; I540-T543 PolarHBondContact O-N 3.45Å; I540-T543 PolarHBondContact O-OG1 2.86Å; I540-T543 VanDerWaalsContact O-OG1 3.11Å; T543-W546 PolarHBondContact O-N 2.88Å; T543-I547 WeakPolarHBondContact O-CB 3.35Å; T543-I547 WeakPolarHBondContact O-CD1 3.49Å; T543-I547 VanDerWaalsContact O-CG1 3.27Å; T543-I547 WeakPolarHBondContact O-CG1 3.32Å; T543-I547 PolarHBondContact O-N 3.48Å
544	A	54	Low	47	Very low	49 Å²	49	118.2 Å²	118.2	41%	0.405	60%	0.596	S	S	.	*	H	α-helix	trans	-62.2	-43	173.3	0	0	0	0	0	112.3	I540 W546 I547 M548	I540-A544 VanDerWaalsContact O-CB 3.28Å; I540-A544 WeakPolarHBondContact O-CB 3.21Å; I540-A544 PolarHBondContact O-N 2.97Å; A544-W546 VanDerWaalsContact C-N 3.34Å; A544-W546 PolarHBondContact O-N 3.4Å; A544-I547 PolarHBondContact O-N 3.28Å; A544-M548 WeakPolarHBondContact O-CB 3.42Å; A544-M548 VanDerWaalsContact O-CG 3.25Å; A544-M548 WeakPolarHBondContact O-CG 3.13Å; A544-M548 PolarHBondContact O-N 2.82Å
545	H	53.9	Low	46.6	Very low	118 Å²	118	118.6 Å²	118.6	55%	0.546	60%	0.599	S	S	.	*	H	α-helix	trans	-67.4	-33.7	176.8	-168.5	-112.7	0	0	0	112.2	Y541 F542 N549	Y541-H545 WeakPolarHBondContact O-CB 3.44Å; Y541-H545 PolarHBondContact O-N 3.47Å; F542-H545 PolarHBondContact O-N 2.77Å; H545-N549 PolarHBondContact CE1-ND2 2.91Å; H545-N549 VanDerWaalsContact CE1-ND2 3.26Å; H545-N549 PolarHBondContact NE2-ND2 3.35Å; H545-N549 WeakPolarHBondContact O-CB 3.3Å; H545-N549 PolarHBondContact O-N 3.16Å; H545-N549 VanDerWaalsContact O-N 3.14Å; H545-N549 PolarHBondContact O-ND2 3.06Å
546	W	51.5	Low	46	Very low	193 Å²	193	118.6 Å²	118.6	73%	0.731	60%	0.599	S	S	*	*	H	α-helix	trans	-67.6	-45.9	173.4	-154.4	62.8	0	0	0	111.5	F542 T543 A544 M548 N549 V550	F542-W546 WeakPolarHBondContact O-CB 3.4Å; F542-W546 PolarHBondContact O-N 3.36Å; T543-W546 PolarHBondContact O-N 2.88Å; A544-W546 VanDerWaalsContact C-N 3.34Å; A544-W546 PolarHBondContact O-N 3.4Å; W546-M548 PolarHBondContact O-N 2.97Å; W546-N549 PolarHBondContact O-N 2.91Å; W546-V550 WeakPolarHBondContact O-CG2 3.29Å; W546-V550 PolarHBondContact O-N 2.94Å
547	I	49.6	Very low	45.4	Very low	113 Å²	113	121 Å²	121	58%	0.579	61%	0.607	S	S	*	*	H	α-helix	trans	-63.7	-39.7	178.5	-69.3	164.9	0	0	0	111.8	T543 A544 K551	T543-I547 WeakPolarHBondContact O-CB 3.35Å; T543-I547 WeakPolarHBondContact O-CD1 3.49Å; T543-I547 VanDerWaalsContact O-CG1 3.27Å; T543-I547 WeakPolarHBondContact O-CG1 3.32Å; T543-I547 PolarHBondContact O-N 3.48Å; A544-I547 PolarHBondContact O-N 3.28Å; I547-K551 PolarHBondContact O-N 3.45Å
548	M	47.7	Very low	44.5	Very low	128 Å²	128	124.6 Å²	124.6	63%	0.631	62%	0.623	S	S	*	*	H	α-helix	trans	-60.5	-49.2	172.7	-73.7	-80.9	-169	0	0	111.8	A544 W546 K551 I552	A544-M548 WeakPolarHBondContact O-CB 3.42Å; A544-M548 VanDerWaalsContact O-CG 3.25Å; A544-M548 WeakPolarHBondContact O-CG 3.13Å; A544-M548 PolarHBondContact O-N 2.82Å; W546-M548 PolarHBondContact O-N 2.97Å; M548-K551 PolarHBondContact O-N 2.58Å; M548-I552 WeakPolarHBondContact O-CG1 3.4Å; M548-I552 PolarHBondContact O-N 2.85Å
549	N	44.3	Very low	43.7	Very low	82 Å²	82	132.7 Å²	132.7	44%	0.439	65%	0.648	S	S	.	*	H	α-helix	trans	-71.4	-31.2	-177.1	-78.4	-74.4	0	0	0	113.4	H545 W546 K551	H545-N549 PolarHBondContact CE1-ND2 2.91Å; H545-N549 VanDerWaalsContact CE1-ND2 3.26Å; H545-N549 PolarHBondContact NE2-ND2 3.35Å; H545-N549 WeakPolarHBondContact O-CB 3.3Å; H545-N549 PolarHBondContact O-N 3.16Å; H545-N549 VanDerWaalsContact O-N 3.14Å; H545-N549 PolarHBondContact O-ND2 3.06Å; W546-N549 PolarHBondContact O-N 2.91Å; N549-K551 VanDerWaalsContact C-N 3.32Å
550	V	46.1	Very low	42.5	Very low	87 Å²	87	135.2 Å²	135.2	53%	0.527	66%	0.658	S	S	.	*	H	α-helix	trans	-66.1	-34.8	172.3	169.4	0	0	0	0	111.4	W546	W546-V550 WeakPolarHBondContact O-CG2 3.29Å; W546-V550 PolarHBondContact O-N 2.94Å
551	K	36.7	Very low	41	Very low	154 Å²	154	140.6 Å²	140.6	67%	0.67	67%	0.673	S	S	*	*	H	α-helix	trans	-78.8	-20.2	-177	-156.6	154.8	-171.3	165.7	0	114.4	I547 M548 N549 N553	I547-K551 PolarHBondContact O-N 3.45Å; M548-K551 PolarHBondContact O-N 2.58Å; N549-K551 VanDerWaalsContact C-N 3.32Å; K551-N553 PolarHBondContact O-N 3.23Å
552	I	38.7	Very low	39.8	Very low	122 Å²	122	137 Å²	137	63%	0.626	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-14.1	176	-70.9	166.8	0	0	0	112.5	M548	M548-I552 WeakPolarHBondContact O-CG1 3.4Å; M548-I552 PolarHBondContact O-N 2.85Å
553	N	35.8	Very low	38.5	Very low	137 Å²	137	138.9 Å²	138.9	73%	0.733	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	16	-173.6	-149.9	17.5	0	0	0	114.8	K551	K551-N553 PolarHBondContact O-N 3.23Å
554	Y	35.1	Very low	37.2	Very low	198 Å²	198	144 Å²	144	78%	0.776	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.5	-31	-177.7	-118.5	-92.7	0	0	0	115	T556	Y554-T556 PolarHBondContact O-N 3.22Å
555	D	33.2	Very low	35.9	Very low	137 Å²	137	146.2 Å²	146.2	73%	0.733	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-75.7	-7.3	179	-87.7	-47.1	0	0	0	114	Q557	D555-Q557 PolarHBondContact O-N 3.24Å
556	T	31.6	Very low	34.7	Very low	111 Å²	111	149.3 Å²	149.3	68%	0.681	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-83.7	19.1	-175.2	-29.3	0	0	0	0	114	Y554	Y554-T556 PolarHBondContact O-N 3.22Å
557	Q	32.8	Very low	33.6	Very low	166 Å²	166	144.5 Å²	144.5	78%	0.776	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-124.1	-11.1	-173.9	-79.2	-78.9	-32.1	0	0	114.8	D555	D555-Q557 PolarHBondContact O-N 3.24Å
558	L	31.2	Very low	32.4	Very low	152 Å²	152	144.1 Å²	144.1	80%	0.796	73%	0.731	S	S	*	*	S	Bend	trans	-116.6	22.1	-160.2	-102.8	162.7	0	0	0	116.9
559	K	30.3	Very low	31.4	Very low	205 Å²	205	144.5 Å²	144.5	89%	0.891	74%	0.736	S	S	*	*	S	Bend	trans	-127.2	17.8	172.7	-77.5	-169.2	173.8	-178.6	0	115.7
560	N	26.1	Very low	30.7	Very low	146 Å²	146	147.1 Å²	147.1	78%	0.781	75%	0.749	S	S	*	*			trans	-106.6	51.2	178.3	-77.6	-11	0	0	0	113.1
561	Y	26.4	Very low	29.8	Very low	226 Å²	226	150.8 Å²	150.8	89%	0.886	76%	0.76	S	S	*	*			trans	-146.4	159	167.7	-95.7	-75.4	0	0	0	112.7
562	S	26.3	Very low	29.3	Very low	110 Å²	110	148.8 Å²	148.8	77%	0.769	77%	0.766	S	S	*	*			trans	56.8	76.1	175.6	63.8	0	0	0	0	118.1
563	F	25.1	Very low	28.8	Very low	207 Å²	207	149.2 Å²	149.2	91%	0.908	77%	0.774	S	S	*	*				-157.1	129.7	116.2	-129.8	-90.8	0	0	0	110.4
564	Q	24.3	Very low	28.5	Very low	183 Å²	183	148.1 Å²	148.1	86%	0.855	77%	0.772	S	S	*	*			trans	-153.3	153.8	179.6	-159.4	175.7	12.2	0	0	109.6
565	S	27.3	Very low	28.3	Very low	96 Å²	96	144.7 Å²	144.7	67%	0.671	77%	0.771	S	S	*	*			trans	67.3	139.6	-166.2	79.8	0	0	0	0	113.4
566	E	28.7	Very low	28.1	Very low	183 Å²	183	146.4 Å²	146.4	86%	0.855	77%	0.772	S	S	*	*			cis	-164.8	171.3	-16.9	-125.4	-170	-93	0	0	108.4
567	S	28.1	Very low	27.9	Very low	92 Å²	92	146.8 Å²	146.8	64%	0.643	77%	0.774	S	S	*	*			cis	-151.3	-148.6	1.5	69.4	0	0	0	0	112.7
568	C	25.4	Very low	27.8	Very low	104 Å²	104	146.6 Å²	146.6	70%	0.703	77%	0.773	S	S	*	*			trans	-60.4	166.5	174.9	-57.3	0	0	0	0	114.8
569	N	26.7	Very low	27.7	Very low	137 Å²	137	143.7 Å²	143.7	73%	0.733	77%	0.765	S	S	*	*			cis	-149.1	-164.3	11.3	-130.6	-11.8	0	0	0	109.3
570	L	29.8	Very low	27.6	Very low	137 Å²	137	138.5 Å²	138.5	72%	0.717	76%	0.755	S	S	*	*			cis	-137.4	-133.8	7.9	-165.4	60.4	0	0	0	110.3
571	E	26.3	Very low	27.7	Very low	163 Å²	163	136.2 Å²	136.2	76%	0.762	75%	0.751	S	S	*	*			trans	-136.1	162.2	-153.3	-61.5	176.5	117.3	0	0	114.7
572	S	25.9	Very low	27.8	Very low	113 Å²	113	133.3 Å²	133.3	79%	0.79	75%	0.745	S	S	*	*			trans	-151.6	150.3	153	60.6	0	0	0	0	110.7
573	V	29.2	Very low	28	Very low	131 Å²	131	134.7 Å²	134.7	79%	0.794	74%	0.744	S	S	*	*			trans	-115.5	115.2	-170.8	177.8	0	0	0	0	107.8
574	V	29.2	Very low	28.1	Very low	113 Å²	113	131.8 Å²	131.8	69%	0.685	74%	0.737	S	S	*	*				79.4	125	62.8	173.9	0	0	0	0	114.5
575	V	31.4	Very low	28.2	Very low	126 Å²	126	128 Å²	128	76%	0.764	73%	0.73	S	S	*	*			trans	153.2	102.3	154.8	156.5	0	0	0	0	106.7
576	K	28.6	Very low	28.4	Very low	173 Å²	173	130 Å²	130	75%	0.752	73%	0.733	S	S	*	*				66.7	132.5	81.7	-70.1	-174.1	177.4	-179.5	0	112.8
577	T	26.8	Very low	28.5	Very low	119 Å²	119	126.3 Å²	126.3	73%	0.73	72%	0.723	S	S	*	*			cis	-163	-166.5	6.4	6.7	0	0	0	0	109.3
578	H	31.4	Very low	28.4	Very low	163 Å²	163	129.3 Å²	129.3	76%	0.755	73%	0.731	S	S	*	*			cis	-154.8	-160.2	16	-145.1	-96.5	0	0	0	112.4
579	S	28.1	Very low	28.7	Very low	90 Å²	90	133.5 Å²	133.5	63%	0.629	74%	0.737	S	S	*	*			trans	-49.3	166.3	170.2	53.8	0	0	0	0	119.1
580	S	28	Very low	28.7	Very low	96 Å²	96	132.4 Å²	132.4	67%	0.671	74%	0.739	S	S	*	*			cis	-176.1	165.6	-12	51.1	0	0	0	0	111.4
581	S	28.6	Very low	28.6	Very low	99 Å²	99	133.7 Å²	133.7	69%	0.692	75%	0.746	S	S	*	*			trans	58.9	148.4	147.8	55.6	0	0	0	0	120.2
582	E	28.4	Very low	29	Very low	164 Å²	164	131.4 Å²	131.4	77%	0.766	75%	0.748	S	S	*	*			cis	-168	167.8	-14.4	-116.6	177.7	-166.8	0	0	108.8
583	N	31.4	Very low	29	Very low	140 Å²	140	131.7 Å²	131.7	75%	0.749	75%	0.748	S	S	*	*			trans	66.7	149	169	-54.1	-49.7	0	0	0	117.4
584	L	27.1	Very low	29.4	Very low	145 Å²	145	130.7 Å²	130.7	76%	0.759	75%	0.747	S	S	*	*			cis	142.2	121.6	-20.5	179.6	125.5	0	0	0	108.2
585	C	26.4	Very low	29.7	Very low	104 Å²	104	131.7 Å²	131.7	70%	0.703	75%	0.754	S	S	*	*			trans	64.1	148.4	-174.9	-64.3	0	0	0	0	114.7
586	D	31.7	Very low	30	Very low	138 Å²	138	131 Å²	131	74%	0.738	75%	0.752	S	S	*	*			cis	-154.4	150.9	25.3	-129	-37.5	0	0	0	115.2
587	T	29.5	Very low	30.3	Very low	105 Å²	105	129 Å²	129	64%	0.644	75%	0.749	S	S	*	*			trans	41.2	107	134.9	-63.9	0	0	0	0	123.1
588	L	27.6	Very low	30.7	Very low	156 Å²	156	132.1 Å²	132.1	82%	0.817	75%	0.749	S	S	*	*			trans	69.5	153.4	137.8	-68.1	175.1	0	0	0	123.6
589	K	29.9	Very low	30.6	Very low	192 Å²	192	131.5 Å²	131.5	84%	0.835	75%	0.751	S	S	*	*			trans	80	99.4	160	-71.5	171.3	-177.6	174.5	0	120.7
590	C	26.6	Very low	30.9	Very low	114 Å²	114	132.8 Å²	132.8	77%	0.77	76%	0.755	S	S	*	*				50.8	147	107.9	-123.7	0	0	0	0	122.4
591	L	29.6	Very low	31.3	Very low	164 Å²	164	134 Å²	134	86%	0.859	76%	0.763	S	S	*	*			trans	70.8	152.4	179.1	-73.6	74.7	0	0	0	114
592	S	32.8	Very low	31.4	Very low	114 Å²	114	136.6 Å²	136.6	80%	0.797	77%	0.769	S	S	*	*			cis	-145.4	178.3	5.5	49.6	0	0	0	0	112.7
593	C	27.7	Very low	31.7	Very low	119 Å²	119	134 Å²	134	80%	0.804	77%	0.767	S	S	*	*			trans	-94.7	155.8	179.5	-53.4	0	0	0	0	113.9
594	S	36.6	Very low	31.8	Very low	111 Å²	111	132.9 Å²	132.9	78%	0.776	77%	0.77	S	S	*	*			trans	-170.5	99.1	151.9	-78.4	0	0	0	0	109.1
595	T	36.2	Very low	31.8	Very low	133 Å²	133	131.9 Å²	131.9	82%	0.816	77%	0.774	S	S	*	*				97.7	148.4	73.9	46.6	0	0	0	0	113.9
596	P	36.4	Very low	32	Very low	112 Å²	112	136 Å²	136	73%	0.727	78%	0.783	S	S	*	*			trans	-119.1	-173.3	-153.1	43.8	-33.1	0	0	0	114.4
597	N	36.5	Very low	31.8	Very low	131 Å²	131	135.1 Å²	135.1	70%	0.701	79%	0.787	S	S	*	*			trans	-171.4	151.4	150.8	-107.2	-31.7	0	0	0	118.1
598	Y	33.5	Very low	31.8	Very low	184 Å²	184	137.5 Å²	137.5	72%	0.722	80%	0.795	S	S	*	*			trans	49.8	116.4	163.2	-59.9	-69	0	0	0	120.5
599	L	30.8	Very low	31.8	Very low	150 Å²	150	137 Å²	137	79%	0.785	79%	0.792	S	S	*	*				72.2	134.5	72.1	-80	165.7	0	0	0	113.6
600	T	34.2	Very low	31.8	Very low	118 Å²	118	134.8 Å²	134.8	72%	0.724	80%	0.795	S	S	*	*			cis	-149.5	179.3	25.1	58	0	0	0	0	114.4
601	S	36.1	Very low	32	Very low	121 Å²	121	135.4 Å²	135.4	85%	0.846	80%	0.796	S	S	*	*			trans	93.4	134.1	159.3	78.9	0	0	0	0	119.6
602	N	30.5	Very low	32.2	Very low	153 Å²	153	131.5 Å²	131.5	82%	0.818	79%	0.787	S	S	*	*			trans	-154.3	174.6	-171.1	-150	16.1	0	0	0	104.8
603	P	35.7	Very low	32	Very low	109 Å²	109	134 Å²	134	71%	0.708	79%	0.792	S	S	*	*			cis	-133.3	153.6	-7.3	39.3	-22.5	0	0	0	115.9
604	S	32.6	Very low	32.4	Very low	117 Å²	117	134.1 Å²	134.1	82%	0.818	79%	0.789	S	S	*	*			trans	-157.2	135	150	58.7	0	0	0	0	113.2
605	C	26.9	Very low	32.7	Very low	125 Å²	125	137.3 Å²	137.3	85%	0.845	79%	0.792	S	S	*	*			trans	-7.1	110	169.7	-53.3	0	0	0	0	119.3
606	Q	31.9	Very low	33.1	Very low	191 Å²	191	135.3 Å²	135.3	89%	0.893	78%	0.781	S	S	*	*				-162.6	102.8	129.3	-110.3	162.6	35.9	0	0	112.4
607	S	27	Very low	33.8	Very low	118 Å²	118	133.3 Å²	133.3	83%	0.825	77%	0.768	S	S	*	*			trans	-88.9	113.8	168	52.5	0	0	0	0	110
608	L	28.8	Very low	35	Very low	155 Å²	155	133.1 Å²	133.1	81%	0.812	78%	0.776	S	S	*	*			trans	-161.9	154.8	171.8	-108.3	164.9	0	0	0	110.6
609	L	28.7	Very low	37.2	Very low	145 Å²	145	126.9 Å²	126.9	76%	0.759	75%	0.753	S	S	*	*			trans	65.2	77.5	165.8	-60.3	169	0	0	0	118.8
610	T	29.3	Very low	39.6	Very low	146 Å²	146	126.6 Å²	126.6	90%	0.896	75%	0.751	S	S	*	*			trans	-135.2	61.6	146.7	49.4	0	0	0	0	112.1	A612	T610-A612 PolarHBondContact O-N 3.35Å
611	T	31.1	Very low	42.1	Very low	127 Å²	127	121.1 Å²	121.1	78%	0.779	72%	0.717	S	S	*	*			trans	-68.1	110.6	161.5	18.5	0	0	0	0	109.2	N613	T611-N613 PolarHBondContact O-N 3.45Å
612	A	32.4	Very low	44.5	Very low	82 Å²	82	117.4 Å²	117.4	68%	0.678	69%	0.692	S	S	*	*			trans	-71.4	121.5	-179.6	0	0	0	0	0	111.4	T610 T614	T610-A612 PolarHBondContact O-N 3.35Å; A612-T614 VanDerWaalsContact C-N 3.28Å; A612-T614 HydrophobicContact CB-CG2 4.43Å; A612-T614 PolarHBondContact O-N 2.78Å
613	N	29.4	Very low	47.3	Very low	168 Å²	168	111 Å²	111	90%	0.898	66%	0.656	S	S	*	*			trans	-71.6	83.8	165.4	-84.8	-14	0	0	0	109.6	T611 Q615	T611-N613 PolarHBondContact O-N 3.45Å; N613-Q615 PolarHBondContact O-N 2.93Å
614	T	35.3	Very low	49.7	Very low	121 Å²	121	108.8 Å²	108.8	74%	0.742	64%	0.637	S	S	*	*			trans	-81	109.5	168.2	51.8	0	0	0	0	109.6	A612	A612-T614 VanDerWaalsContact C-N 3.28Å; A612-T614 HydrophobicContact CB-CG2 4.43Å; A612-T614 PolarHBondContact O-N 2.78Å
615	Q	42.8	Very low	52.4	Low	178 Å²	178	107 Å²	107	83%	0.832	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-56.5	149.4	157.8	-70.1	178.8	-45.2	0	0	109.2	N613	N613-Q615 PolarHBondContact O-N 2.93Å
616	P	44.4	Very low	55.4	Low	91 Å²	91	102.5 Å²	102.5	59%	0.591	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-57.7	141.2	171	26.1	-34	0	0	0	109.6	S618	P616-S618 PolarHBondContact O-N 3.37Å
617	P	51.3	Low	58.3	Low	70 Å²	70	93.5 Å²	93.5	46%	0.455	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-60.9	130.4	-178.5	25.1	-33.9	0	0	0	110.2	F619 P697 W700	P617-F619 PolarHBondContact O-N 2.84Å; P617-P697 HydrophobicContact CB-CB 4.23Å; P617-P697 HydrophobicContact CB-CG 4.05Å; P617-P697 HydrophobicContact CG-CB 3.57Å; P617-P697 HydrophobicContact CG-CG 3.8Å; P617-W700 VanDerWaalsContact O-CD1 3.27Å
618	S	61.7	Low	61.4	Low	126 Å²	126	92.6 Å²	92.6	88%	0.881	53%	0.528	S	S	*	.			trans	-71.4	88.6	-175.7	58.3	0	0	0	0	111.6	P616	P616-S618 PolarHBondContact O-N 3.37Å
619	F	80.3	Confident	64.3	Low	54 Å²	54	87.2 Å²	87.2	24%	0.237	50%	0.497	C	S	.	.			trans	-100.6	141.2	169.9	178.4	-103	0	0	0	109.6	P617 E694 P696 P697 W700	P617-F619 PolarHBondContact O-N 2.84Å; F619-E694 HydrophobicContact CZ-CB 4.12Å; F619-P696 HydrophobicContact CD1-CB 4.19Å; F619-P696 HydrophobicContact CE1-CB 4.05Å; F619-P696 HydrophobicContact CZ-CB 4.43Å; F619-P697 HydrophobicContact CB-CG 4.11Å; F619-W700 HydrophobicContact CB-CD2 4.22Å; F619-W700 HydrophobicContact CB-CG 4.31Å; F619-W700 HydrophobicContact CB-CZ2 4.48Å; F619-W700 AromaticContact CD1-CD2 3.92Å; F619-W700 HydrophobicContact CD1-CD2 3.92Å; F619-W700 AromaticContact CD1-CE2 3.86Å; F619-W700 AromaticContact CD1-CE3 3.9Å; F619-W700 HydrophobicContact CD1-CE3 3.9Å; F619-W700 AromaticContact CD1-CH2 3.93Å; F619-W700 HydrophobicContact CD1-CH2 3.93Å; F619-W700 AromaticContact CD1-CZ2 3.88Å; F619-W700 HydrophobicContact CD1-CZ2 3.88Å; F619-W700 AromaticContact CD1-CZ3 3.91Å; F619-W700 HydrophobicContact CD1-CZ3 3.91Å; F619-W700 HydrophobicContact CE1-CE3 4.44Å; F619-W700 HydrophobicContact CE1-CH2 4.45Å; F619-W700 HydrophobicContact CE1-CZ3 4.23Å; F619-W700 HydrophobicContact CG-CD2 4.46Å
620	I	81.7	Confident	67.1	Low	144 Å²	144	82 Å²	82	74%	0.738	47%	0.47	S	S	*	.			trans	-107.7	104.5	176.7	-59.1	174.7	0	0	0	106.9
621	S	86.1	Confident	69.8	Low	2 Å²	2	79.3 Å²	79.3	1%	0.014	44%	0.443	C	S	.	.			trans	-74.6	133.9	175.5	175.2	0	0	0	0	110.6	F623 E624 T625 E694	S621-F623 VanDerWaalsContact C-N 3.3Å; S621-F623 WeakPolarHBondContact OG-CB 3.36Å; S621-F623 PolarHBondContact OG-N 3.3Å; S621-E624 PolarHBondContact OG-N 2.79Å; S621-T625 VanDerWaalsContact O-CB 3.3Å; S621-T625 WeakPolarHBondContact O-CB 3.39Å; S621-T625 PolarHBondContact O-N 2.78Å; S621-T625 PolarHBondContact O-OG1 2.88Å; S621-E694 WeakPolarHBondContact CA-OE2 3.16Å; S621-E694 VanDerWaalsContact CB-OE2 3.31Å; S621-E694 WeakPolarHBondContact CB-OE2 3.05Å; S621-E694 PolarHBondContact OG-OE1 3.14Å; S621-E694 PolarHBondContact OG-OE2 2.77Å
622	S	87.3	Confident	72.4	Confident	44 Å²	44	76.2 Å²	76.2	31%	0.308	42%	0.417	S	S	.	.	H	α-helix	trans	-70.9	-32.2	173.6	-163	0	0	0	0	110.5	T625 D626 E694	S622-T625 PolarHBondContact O-N 3.09Å; S622-D626 VanDerWaalsContact O-CB 3.32Å; S622-D626 WeakPolarHBondContact O-CB 3.31Å; S622-D626 PolarHBondContact O-N 3.49Å; S622-E694 WeakPolarHBondContact CA-OE1 3.48Å; S622-E694 VanDerWaalsContact CB-OE1 3.32Å; S622-E694 WeakPolarHBondContact CB-OE1 3.26Å; S622-E694 PolarHBondContact N-OE1 2.8Å
623	F	89.3	Confident	74.9	Confident	17 Å²	17	74.6 Å²	74.6	8%	0.075	40%	0.397	C	S	.	.	H	α-helix	trans	-59.2	-51.1	172	176.8	-95	0	0	0	111.7	S621 T625 F627 F642 V644 I655 W692 E694 Y818	S621-F623 VanDerWaalsContact C-N 3.3Å; S621-F623 WeakPolarHBondContact OG-CB 3.36Å; S621-F623 PolarHBondContact OG-N 3.3Å; F623-T625 PolarHBondContact O-N 2.76Å; F623-F627 HydrophobicContact CD2-CD2 4.46Å; F623-F627 WeakPolarHBondContact O-CA 3.47Å; F623-F627 VanDerWaalsContact O-CB 3.32Å; F623-F627 WeakPolarHBondContact O-CB 3.46Å; F623-F627 WeakPolarHBondContact O-CD2 3.34Å; F623-F627 PolarHBondContact O-N 2.63Å; F623-F642 HydrophobicContact CE2-CD2 4.18Å; F623-F642 HydrophobicContact CZ-CB 4.48Å; F623-F642 AromaticContact CZ-CD2 3.98Å; F623-F642 HydrophobicContact CZ-CD2 3.98Å; F623-F642 HydrophobicContact CZ-CG 4.39Å; F623-V644 HydrophobicContact CE2-CG1 3.86Å; F623-V644 HydrophobicContact CZ-CG1 3.89Å; F623-I655 HydrophobicContact CD2-CD1 3.88Å; F623-I655 HydrophobicContact CD2-CG2 4.24Å; F623-I655 HydrophobicContact CE2-CB 4.26Å; F623-I655 HydrophobicContact CE2-CD1 3.74Å; F623-I655 HydrophobicContact CE2-CG2 4.04Å; F623-W692 HydrophobicContact CB-CZ2 4.19Å; F623-W692 HydrophobicContact CD2-CZ2 4.36Å; F623-E694 PolarHBondContact N-OE1 2.71Å; F623-Y818 HydrophobicContact CB-CD1 4.19Å; F623-Y818 HydrophobicContact CB-CE1 3.68Å; F623-Y818 HydrophobicContact CD1-CE1 4.31Å; F623-Y818 AromaticContact CD2-CD1 3.66Å; F623-Y818 HydrophobicContact CD2-CD1 3.66Å; F623-Y818 AromaticContact CD2-CE1 3.47Å; F623-Y818 HydrophobicContact CD2-CE1 3.47Å; F623-Y818 VanDerWaalsContact CD2-CE1 3.47Å; F623-Y818 HydrophobicContact CE2-CD1 4.35Å; F623-Y818 HydrophobicContact CE2-CE1 4.13Å; F623-Y818 HydrophobicContact CG-CD1 4.15Å; F623-Y818 AromaticContact CG-CE1 3.56Å; F623-Y818 HydrophobicContact CG-CE1 3.56Å
624	E	85.9	Confident	77	Confident	63 Å²	63	67.9 Å²	67.9	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-69.8	-32.8	179.6	-63.4	-179.2	163	0	0	113	S621 F627 R647 H704	S621-E624 PolarHBondContact OG-N 2.79Å; E624-F627 VanDerWaalsContact O-O 3.1Å; E624-R647 PolarHBondContact O-NE 3.43Å; E624-R647 PolarHBondContact O-NH2 2.93Å; E624-H704 IonicContact OE1-CD2 2.59Å
625	T	88	Confident	78.9	Confident	79 Å²	79	69.1 Å²	69.1	49%	0.485	36%	0.358	S	S	.	.	H	α-helix	trans	-70.6	-50.9	179.3	-58.3	0	0	0	0	111.8	S621 S622 F623 R647	S621-T625 VanDerWaalsContact O-CB 3.3Å; S621-T625 WeakPolarHBondContact O-CB 3.39Å; S621-T625 PolarHBondContact O-N 2.78Å; S621-T625 PolarHBondContact O-OG1 2.88Å; S622-T625 PolarHBondContact O-N 3.09Å; F623-T625 PolarHBondContact O-N 2.76Å; T625-R647 VanDerWaalsContact O-CD 3.25Å; T625-R647 WeakPolarHBondContact O-CD 3.35Å; T625-R647 PolarHBondContact O-NE 2.88Å
626	D	90.6	Very high	79.9	Confident	32 Å²	32	62.6 Å²	62.6	17%	0.171	34%	0.338	C	S	.	.	H	α-helix	trans	-80.8	-30.3	-175.8	-72.2	8.9	0	0	0	112.5	S622 N646 R647 R690	S622-D626 VanDerWaalsContact O-CB 3.32Å; S622-D626 WeakPolarHBondContact O-CB 3.31Å; S622-D626 PolarHBondContact O-N 3.49Å; D626-N646 PolarHBondContact O-OD1 2.77Å; D626-R647 WeakPolarHBondContact O-CB 3.32Å; D626-R647 WeakPolarHBondContact O-CG 3.42Å; D626-R647 PolarHBondContact O-N 2.84Å; D626-R690 IonicContact OD2-CZ 3.59Å; D626-R690 VanDerWaalsContact OD2-CZ 3.23Å; D626-R690 IonicContact OD2-NH1 3.04Å; D626-R690 PolarHBondContact OD2-NH1 3.3Å; D626-R690 IonicContact OD2-NH2 3.79Å; D626-R690 PolarHBondContact OD2-NH2 2.81Å
627	F	92.7	Very high	80.6	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.009	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.9	-169.6	-53.8	-91	0	0	0	113.3	F623 E624 V644 E645 N646 R647 Y653 I655 R690 W692 Q820	F623-F627 HydrophobicContact CD2-CD2 4.46Å; F623-F627 WeakPolarHBondContact O-CA 3.47Å; F623-F627 VanDerWaalsContact O-CB 3.32Å; F623-F627 WeakPolarHBondContact O-CB 3.46Å; F623-F627 WeakPolarHBondContact O-CD2 3.34Å; F623-F627 PolarHBondContact O-N 2.63Å; E624-F627 VanDerWaalsContact O-O 3.1Å; F627-V644 HydrophobicContact CB-CB 4.1Å; F627-V644 HydrophobicContact CB-CG1 4.47Å; F627-V644 HydrophobicContact CB-CG2 4.25Å; F627-V644 HydrophobicContact CD1-CB 4.26Å; F627-V644 HydrophobicContact CD1-CG2 3.5Å; F627-V644 VanDerWaalsContact CD1-CG2 3.5Å; F627-V644 HydrophobicContact CE1-CG2 4.09Å; F627-V644 HydrophobicContact CG-CB 4.49Å; F627-V644 HydrophobicContact CG-CG2 4.1Å; F627-E645 WeakPolarHBondContact CA-O 3.48Å; F627-N646 HydrophobicContact CD1-CB 3.8Å; F627-N646 HydrophobicContact CE1-CB 3.86Å; F627-R647 VanDerWaalsContact O-CZ 3.27Å; F627-R647 PolarHBondContact O-NE 2.67Å; F627-R647 VanDerWaalsContact O-NE 3.09Å; F627-R647 PolarHBondContact O-NH2 3.29Å; F627-Y653 HydrophobicContact CE1-CD2 4.46Å; F627-I655 HydrophobicContact CD1-CD1 3.9Å; F627-I655 HydrophobicContact CD2-CD1 3.92Å; F627-I655 HydrophobicContact CE1-CD1 3.78Å; F627-I655 HydrophobicContact CE2-CD1 3.82Å; F627-I655 HydrophobicContact CG-CD1 3.94Å; F627-I655 HydrophobicContact CZ-CD1 3.71Å; F627-R690 VanDerWaalsContact CE2-NH2 3.26Å; F627-W692 HydrophobicContact CD2-CH2 4.29Å; F627-W692 HydrophobicContact CD2-CZ2 4.42Å; F627-W692 AromaticContact CE2-CH2 3.35Å; F627-W692 HydrophobicContact CE2-CH2 3.35Å; F627-W692 AromaticContact CE2-CZ2 3.78Å; F627-W692 HydrophobicContact CE2-CZ2 3.78Å; F627-W692 HydrophobicContact CE2-CZ3 4.19Å; F627-W692 AromaticContact CZ-CH2 3.81Å; F627-W692 HydrophobicContact CZ-CH2 3.81Å; F627-W692 HydrophobicContact CZ-CZ3 4.34Å; F627-Q820 HydrophobicContact CE1-CG 4.5Å; F627-Q820 HydrophobicContact CZ-CG 4.41Å
628	K	91.5	Very high	81.1	Confident	99 Å²	99	61.3 Å²	61.3	43%	0.43	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	116.3	165.8	167.8	-174	162.8	-155.6	0	107.4	V644 E645 R647	K628-V644 CarbonylContact O-C 3.58Å; K628-V644 WeakPolarHBondContact O-CA 3.39Å; K628-E645 HydrophobicContact CB-CB 4.32Å; K628-E645 HydrophobicContact CD-CB 4.49Å; K628-E645 WeakPolarHBondContact CD-OE2 3.25Å; K628-E645 WeakPolarHBondContact CE-OE2 3.24Å; K628-E645 PolarHBondContact N-O 3.1Å; K628-E645 IonicContact NZ-OE1 2.72Å; K628-E645 IonicContact NZ-OE2 3.05Å; K628-E645 PolarHBondContact NZ-OE2 3.26Å; K628-E645 PolarHBondContact O-N 3.47Å; K628-R647 HydrophobicContact CB-CG 4.47Å
629	Y	90.3	Very high	81.7	Confident	42 Å²	42	56.1 Å²	56.1	17%	0.165	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	137.4	170.6	172.9	-79.6	0	0	0	110.3	R632 F642 V708 L709 S712	Y629-R632 PolarHBondContact OH-N 2.95Å; Y629-R632 VanDerWaalsContact OH-N 3.14Å; Y629-F642 HydrophobicContact CD2-CB 4.48Å; Y629-F642 HydrophobicContact CD2-CD1 4.2Å; Y629-F642 HydrophobicContact CD2-CG 4.44Å; Y629-F642 AromaticContact CE2-CD1 3.66Å; Y629-F642 HydrophobicContact CE2-CD1 3.66Å; Y629-F642 HydrophobicContact CE2-CE1 4.2Å; Y629-F642 HydrophobicContact CE2-CG 4.32Å; Y629-V708 HydrophobicContact CD1-CG1 3.92Å; Y629-V708 HydrophobicContact CD2-CG1 3.82Å; Y629-V708 HydrophobicContact CE1-CG1 4.2Å; Y629-V708 HydrophobicContact CE2-CG1 4.08Å; Y629-V708 HydrophobicContact CG-CG1 3.73Å; Y629-L709 HydrophobicContact CE2-CD2 3.93Å; Y629-L709 WeakPolarHBondContact OH-CD2 3.39Å; Y629-S712 VanDerWaalsContact CE1-CB 3.43Å; Y629-S712 PolarHBondContact OH-OG 2.73Å; Y629-S712 VanDerWaalsContact OH-OG 3.07Å
630	I	87.9	Confident	81.9	Confident	36 Å²	36	55.2 Å²	55.2	19%	0.185	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-59.1	171.2	-62.8	170.9	0	0	0	109.8	E643 E645 R652	I630-E643 HydrophobicContact CB-CB 4.44Å; I630-E643 HydrophobicContact CB-CG 4.37Å; I630-E643 WeakPolarHBondContact CB-O 3.43Å; I630-E643 HydrophobicContact CD1-CG 4.14Å; I630-E643 PolarHBondContact N-O 2.83Å; I630-E645 HydrophobicContact CD1-CB 4.03Å; I630-E645 HydrophobicContact CG1-CB 4.41Å; I630-R652 HydrophobicContact CD1-CG 4.11Å
631	R	86.8	Confident	82.2	Confident	89 Å²	89	50.2 Å²	50.2	34%	0.336	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	165	-178.4	63.8	178.5	-179.2	103.4	6.7	111.2	E643	R631-E643 HydrophobicContact CG-CB 3.91Å; R631-E643 IonicContact CZ-OE2 2.8Å; R631-E643 PolarHBondContact N-O 3.34Å; R631-E643 IonicContact NE-OE2 3.72Å; R631-E643 PolarHBondContact NE-OE2 3.31Å; R631-E643 IonicContact NH2-OE2 3.79Å; R631-E643 PolarHBondContact NH2-OE2 3.38Å; R631-E643 PolarHBondContact O-N 3.01Å
632	R	85.7	Confident	82.4	Confident	61 Å²	61	50.3 Å²	50.3	23%	0.23	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	138	166.1	-164.2	-178	61.9	168.1	4.2	110.7	S514 Y629 V641 F642	S514-R632 PolarHBondContact O-NH2 3.12Å; S514-R632 PolarHBondContact OG-NH1 2.9Å; S514-R632 PolarHBondContact OG-NH2 3.1Å; Y629-R632 PolarHBondContact OH-N 2.95Å; Y629-R632 VanDerWaalsContact OH-N 3.14Å; R632-V641 WeakPolarHBondContact CG-O 3.37Å; R632-F642 HydrophobicContact CB-CD1 4.26Å; R632-F642 HydrophobicContact CG-CD1 4.13Å; R632-F642 HydrophobicContact CG-CE1 4.1Å
633	L	83.8	Confident	82.7	Confident	49 Å²	49	48.8 Å²	48.8	26%	0.257	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-33.8	173.7	-75	169.6	0	0	0	112.3	V641 E643 A654 L823 P826	L633-V641 HydrophobicContact CB-CB 4.14Å; L633-V641 HydrophobicContact CB-CG1 4.07Å; L633-V641 HydrophobicContact CD1-CG1 4.02Å; L633-V641 PolarHBondContact N-O 3.36Å; L633-E643 HydrophobicContact CD1-CB 4.05Å; L633-E643 HydrophobicContact CD2-CB 4.14Å; L633-E643 HydrophobicContact CG-CB 3.91Å; L633-A654 HydrophobicContact CD1-CB 3.75Å; L633-L823 HydrophobicContact CD1-CD1 3.85Å; L633-L823 HydrophobicContact CD2-CD1 4.38Å; L633-P826 HydrophobicContact CD2-CB 4.39Å
634	G	74	Confident	82.8	Confident	27 Å²	27	48 Å²	48	28%	0.278	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	173.2	179.2	0	0	0	0	0	113.1	V641	G634-V641 PolarHBondContact N-O 3.44Å; G634-V641 PolarHBondContact O-N 2.95Å
635	R	75.7	Confident	83.2	Confident	147 Å²	147	47.6 Å²	47.6	56%	0.555	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.4	142.4	176.3	175.8	179	176.8	-158.1	-2.2	108.5	G639 Q640	R635-G639 WeakPolarHBondContact CA-O 3.44Å; R635-Q640 HydrophobicContact CB-CG 4.49Å; R635-Q640 HydrophobicContact CG-CG 4.2Å
636	G	63.7	Low	83.3	Confident	40 Å²	40	44.3 Å²	44.3	41%	0.412	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	-171	175.7	0	0	0	0	0	111.7	F638 G639	G636-F638 PolarHBondContact O-N 3.49Å; G636-G639 PolarHBondContact N-O 2.99Å; G636-G639 PolarHBondContact O-N 2.85Å; G636-G639 VanDerWaalsContact O-O 3.07Å
637	G	58.4	Low	83.3	Confident	82 Å²	82	49.9 Å²	49.9	85%	0.845	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.7	179.2	0	0	0	0	0	113.7	G639	G637-G639 VanDerWaalsContact C-N 3.25Å; G637-G639 PolarHBondContact O-N 3.3Å
638	F	61	Low	82.9	Confident	52 Å²	52	56.9 Å²	56.9	23%	0.228	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	13.8	176.9	-50.6	-64.2	0	0	0	114.4	G636 K656 I658 D889 L892 H967	G636-F638 PolarHBondContact O-N 3.49Å; F638-K656 WeakPolarHBondContact O-CE 3.28Å; F638-I658 WeakPolarHBondContact O-CG1 3.44Å; F638-D889 WeakPolarHBondContact CD2-OD2 3.47Å; F638-L892 HydrophobicContact CE1-CD2 4.42Å; F638-L892 HydrophobicContact CZ-CD2 4.26Å; F638-H967 AromaticContact CE1-CE1 3.46Å; F638-H967 VanDerWaalsContact CE1-CE1 3.46Å; F638-H967 WeakPolarHBondContact CE1-CE1 3.5Å; F638-H967 AromaticContact CZ-CE1 3.85Å
639	G	74.4	Confident	82.7	Confident	18 Å²	18	55.8 Å²	55.8	19%	0.186	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	112.5	-149.7	172.9	0	0	0	0	0	115.2	R635 G636 G637 R657	R635-G639 WeakPolarHBondContact CA-O 3.44Å; G636-G639 PolarHBondContact N-O 2.99Å; G636-G639 PolarHBondContact O-N 2.85Å; G636-G639 VanDerWaalsContact O-O 3.07Å; G637-G639 VanDerWaalsContact C-N 3.25Å; G637-G639 PolarHBondContact O-N 3.3Å; G639-R657 WeakPolarHBondContact CA-O 3.4Å
640	Q	84.4	Confident	82.4	Confident	35 Å²	35	56 Å²	56	16%	0.164	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.3	179.6	-63	-173.8	65.9	0	0	110.1	R635 F642 K656 R657	R635-Q640 HydrophobicContact CB-CG 4.49Å; R635-Q640 HydrophobicContact CG-CG 4.2Å; Q640-F642 HydrophobicContact CB-CE1 4.08Å; Q640-F642 HydrophobicContact CB-CE2 4.13Å; Q640-F642 HydrophobicContact CB-CZ 3.59Å; Q640-F642 HydrophobicContact CG-CZ 4.48Å; Q640-K656 CarbonylContact O-C 3.57Å; Q640-K656 WeakPolarHBondContact O-CA 3.29Å; Q640-R657 PolarHBondContact N-O 2.82Å; Q640-R657 PolarHBondContact O-N 2.91Å
641	V	87.9	Confident	82.4	Confident	39 Å²	39	57.2 Å²	57.2	24%	0.236	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.5	176.8	-167.3	0	0	0	0	109.5	R632 L633 G634 A654 I655 K656	R632-V641 WeakPolarHBondContact CG-O 3.37Å; L633-V641 HydrophobicContact CB-CB 4.14Å; L633-V641 HydrophobicContact CB-CG1 4.07Å; L633-V641 HydrophobicContact CD1-CG1 4.02Å; L633-V641 PolarHBondContact N-O 3.36Å; G634-V641 PolarHBondContact N-O 3.44Å; G634-V641 PolarHBondContact O-N 2.95Å; V641-A654 HydrophobicContact CG1-CB 4.34Å; V641-I655 CarbonylContact C-O 3.54Å; V641-I655 VanDerWaalsContact CA-O 3.28Å; V641-I655 WeakPolarHBondContact CA-O 3.15Å; V641-K656 HydrophobicContact CG2-CB 4.26Å; V641-K656 HydrophobicContact CG2-CG 4.32Å
642	F	91	Very high	82.7	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.018	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.5	-176.9	-51.7	-64.8	0	0	0	111.9	F623 Y629 R632 Q640 V644 A654 I655 R657 L709	F623-F642 HydrophobicContact CE2-CD2 4.18Å; F623-F642 HydrophobicContact CZ-CB 4.48Å; F623-F642 AromaticContact CZ-CD2 3.98Å; F623-F642 HydrophobicContact CZ-CD2 3.98Å; F623-F642 HydrophobicContact CZ-CG 4.39Å; Y629-F642 HydrophobicContact CD2-CB 4.48Å; Y629-F642 HydrophobicContact CD2-CD1 4.2Å; Y629-F642 HydrophobicContact CD2-CG 4.44Å; Y629-F642 AromaticContact CE2-CD1 3.66Å; Y629-F642 HydrophobicContact CE2-CD1 3.66Å; Y629-F642 HydrophobicContact CE2-CE1 4.2Å; Y629-F642 HydrophobicContact CE2-CG 4.32Å; R632-F642 HydrophobicContact CB-CD1 4.26Å; R632-F642 HydrophobicContact CG-CD1 4.13Å; R632-F642 HydrophobicContact CG-CE1 4.1Å; Q640-F642 HydrophobicContact CB-CE1 4.08Å; Q640-F642 HydrophobicContact CB-CE2 4.13Å; Q640-F642 HydrophobicContact CB-CZ 3.59Å; Q640-F642 HydrophobicContact CG-CZ 4.48Å; F642-V644 HydrophobicContact CB-CG1 4.12Å; F642-A654 CarbonylContact O-C 3.3Å; F642-A654 WeakPolarHBondContact O-CA 3.47Å; F642-I655 PolarHBondContact N-O 3.31Å; F642-I655 PolarHBondContact O-N 2.94Å; F642-R657 HydrophobicContact CD2-CB 4.45Å; F642-R657 HydrophobicContact CE2-CB 3.81Å; F642-L709 HydrophobicContact CE1-CD2 4.32Å
643	E	92.9	Very high	83	Confident	11 Å²	11	57.6 Å²	57.6	5%	0.051	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	127.3	161.1	-171.4	-179.2	150.6	0	0	107.7	I630 R631 L633 R652 L823	I630-E643 HydrophobicContact CB-CB 4.44Å; I630-E643 HydrophobicContact CB-CG 4.37Å; I630-E643 WeakPolarHBondContact CB-O 3.43Å; I630-E643 HydrophobicContact CD1-CG 4.14Å; I630-E643 PolarHBondContact N-O 2.83Å; R631-E643 HydrophobicContact CG-CB 3.91Å; R631-E643 IonicContact CZ-OE2 2.8Å; R631-E643 PolarHBondContact N-O 3.34Å; R631-E643 IonicContact NE-OE2 3.72Å; R631-E643 PolarHBondContact NE-OE2 3.31Å; R631-E643 IonicContact NH2-OE2 3.79Å; R631-E643 PolarHBondContact NH2-OE2 3.38Å; R631-E643 PolarHBondContact O-N 3.01Å; L633-E643 HydrophobicContact CD1-CB 4.05Å; L633-E643 HydrophobicContact CD2-CB 4.14Å; L633-E643 HydrophobicContact CG-CB 3.91Å; E643-R652 VanDerWaalsContact OE1-CD 3.25Å; E643-R652 WeakPolarHBondContact OE1-CD 3.32Å; E643-R652 IonicContact OE1-CZ 3.45Å; E643-R652 IonicContact OE1-NE 3.36Å; E643-R652 IonicContact OE1-NH1 2.7Å; E643-R652 PolarHBondContact OE1-NH1 3.05Å; E643-L823 HydrophobicContact CG-CD1 4.02Å; E643-L823 HydrophobicContact CG-CD2 3.9Å
644	V	92.6	Very high	83.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	160	179.5	-56.6	0	0	0	0	111.3	F623 F627 K628 F642 R652 Y653 I655	F623-V644 HydrophobicContact CE2-CG1 3.86Å; F623-V644 HydrophobicContact CZ-CG1 3.89Å; F627-V644 HydrophobicContact CB-CB 4.1Å; F627-V644 HydrophobicContact CB-CG1 4.47Å; F627-V644 HydrophobicContact CB-CG2 4.25Å; F627-V644 HydrophobicContact CD1-CB 4.26Å; F627-V644 HydrophobicContact CD1-CG2 3.5Å; F627-V644 VanDerWaalsContact CD1-CG2 3.5Å; F627-V644 HydrophobicContact CE1-CG2 4.09Å; F627-V644 HydrophobicContact CG-CB 4.49Å; F627-V644 HydrophobicContact CG-CG2 4.1Å; K628-V644 CarbonylContact O-C 3.58Å; K628-V644 WeakPolarHBondContact O-CA 3.39Å; F642-V644 HydrophobicContact CB-CG1 4.12Å; V644-R652 CarbonylContact O-C 3.57Å; V644-R652 WeakPolarHBondContact O-CA 3.35Å; V644-Y653 PolarHBondContact N-O 2.89Å; V644-Y653 PolarHBondContact O-N 3.37Å; V644-I655 HydrophobicContact CB-CD1 4.38Å; V644-I655 HydrophobicContact CG1-CD1 4.07Å; V644-I655 HydrophobicContact CG2-CD1 3.48Å; V644-I655 VanDerWaalsContact CG2-CD1 3.48Å; V644-I655 HydrophobicContact CG2-CG1 3.92Å
645	E	93.2	Very high	84.4	Confident	55 Å²	55	54.4 Å²	54.4	26%	0.257	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.7	167.3	-178.1	177.3	171.8	0	0	108	F627 K628 I630 R647	F627-E645 WeakPolarHBondContact CA-O 3.48Å; K628-E645 HydrophobicContact CB-CB 4.32Å; K628-E645 HydrophobicContact CD-CB 4.49Å; K628-E645 WeakPolarHBondContact CD-OE2 3.25Å; K628-E645 WeakPolarHBondContact CE-OE2 3.24Å; K628-E645 PolarHBondContact N-O 3.1Å; K628-E645 IonicContact NZ-OE1 2.72Å; K628-E645 IonicContact NZ-OE2 3.05Å; K628-E645 PolarHBondContact NZ-OE2 3.26Å; K628-E645 PolarHBondContact O-N 3.47Å; I630-E645 HydrophobicContact CD1-CB 4.03Å; I630-E645 HydrophobicContact CG1-CB 4.41Å; E645-R647 PolarHBondContact O-N 2.75Å
646	N	90.6	Very high	85	Confident	11 Å²	11	47.8 Å²	47.8	6%	0.059	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.6	173.9	170.7	9	0	0	0	109	D626 F627 L648 D649 G650 C651 Y653	D626-N646 PolarHBondContact O-OD1 2.77Å; F627-N646 HydrophobicContact CD1-CB 3.8Å; F627-N646 HydrophobicContact CE1-CB 3.86Å; N646-L648 PolarHBondContact O-N 2.74Å; N646-L648 PolarHBondContact OD1-N 2.93Å; N646-D649 VanDerWaalsContact CB-OD1 3.24Å; N646-D649 WeakPolarHBondContact CB-OD1 3.1Å; N646-D649 PolarHBondContact ND2-OD1 3.26Å; N646-D649 PolarHBondContact ND2-OD2 2.83Å; N646-G650 WeakPolarHBondContact O-CA 3.39Å; N646-G650 PolarHBondContact O-N 3.28Å; N646-C651 PolarHBondContact N-O 3.19Å; N646-Y653 HydrophobicContact CB-CD2 3.92Å; N646-Y653 HydrophobicContact CB-CE2 3.79Å
647	R	90.1	Very high	86.3	Confident	148 Å²	148	46.4 Å²	46.4	56%	0.558	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-16.8	-173.5	-59.6	176.6	-165.8	-91.8	7.5	113.4	E624 T625 D626 F627 K628 E645	E624-R647 PolarHBondContact O-NE 3.43Å; E624-R647 PolarHBondContact O-NH2 2.93Å; T625-R647 VanDerWaalsContact O-CD 3.25Å; T625-R647 WeakPolarHBondContact O-CD 3.35Å; T625-R647 PolarHBondContact O-NE 2.88Å; D626-R647 WeakPolarHBondContact O-CB 3.32Å; D626-R647 WeakPolarHBondContact O-CG 3.42Å; D626-R647 PolarHBondContact O-N 2.84Å; F627-R647 VanDerWaalsContact O-CZ 3.27Å; F627-R647 PolarHBondContact O-NE 2.67Å; F627-R647 VanDerWaalsContact O-NE 3.09Å; F627-R647 PolarHBondContact O-NH2 3.29Å; K628-R647 HydrophobicContact CB-CG 4.47Å; E645-R647 PolarHBondContact O-N 2.75Å
648	L	85.4	Confident	87.5	Confident	150 Å²	150	43.8 Å²	43.8	79%	0.785	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-33	-177	-63.3	176.6	0	0	0	113.9	N646	N646-L648 PolarHBondContact O-N 2.74Å; N646-L648 PolarHBondContact OD1-N 2.93Å
649	D	87.8	Confident	88.7	Confident	75 Å²	75	46.7 Å²	46.7	40%	0.401	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-8.3	-176.1	61.3	25.6	0	0	0	113.9	N646 C651 Y653	N646-D649 VanDerWaalsContact CB-OD1 3.24Å; N646-D649 WeakPolarHBondContact CB-OD1 3.1Å; N646-D649 PolarHBondContact ND2-OD1 3.26Å; N646-D649 PolarHBondContact ND2-OD2 2.83Å; D649-C651 PolarHBondContact O-N 3.05Å; D649-C651 VanDerWaalsContact OD1-CB 3.28Å; D649-C651 WeakPolarHBondContact OD1-CB 3.07Å; D649-C651 PolarHBondContact OD1-N 3.35Å; D649-Y653 PolarHBondContact OD2-OH 2.86Å
650	G	84	Confident	88.7	Confident	48 Å²	48	46.6 Å²	46.6	50%	0.495	23%	0.233	S	C	.	.			trans	68.4	3.9	-177	0	0	0	0	0	114.4	N646	N646-G650 WeakPolarHBondContact O-CA 3.39Å; N646-G650 PolarHBondContact O-N 3.28Å
651	C	87.5	Confident	88	Confident	60 Å²	60	49.4 Å²	49.4	41%	0.405	25%	0.249	S	C	.	.			trans	-82.1	148.9	-178.4	-69.2	0	0	0	0	111	N646 D649 Y653	N646-C651 PolarHBondContact N-O 3.19Å; D649-C651 PolarHBondContact O-N 3.05Å; D649-C651 VanDerWaalsContact OD1-CB 3.28Å; D649-C651 WeakPolarHBondContact OD1-CB 3.07Å; D649-C651 PolarHBondContact OD1-N 3.35Å; C651-Y653 HydrophobicContact CB-CD2 4.48Å; C651-Y653 HydrophobicContact CB-CE2 3.58Å; C651-Y653 WeakPolarHBondContact O-CD2 3.37Å
652	R	92.4	Very high	87.1	Confident	134 Å²	134	50.5 Å²	50.5	51%	0.506	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	138.1	176.5	-60.1	-165.5	-174.4	-173.5	3.7	112.3	I630 E643 V644 L823	I630-R652 HydrophobicContact CD1-CG 4.11Å; E643-R652 VanDerWaalsContact OE1-CD 3.25Å; E643-R652 WeakPolarHBondContact OE1-CD 3.32Å; E643-R652 IonicContact OE1-CZ 3.45Å; E643-R652 IonicContact OE1-NE 3.36Å; E643-R652 IonicContact OE1-NH1 2.7Å; E643-R652 PolarHBondContact OE1-NH1 3.05Å; V644-R652 CarbonylContact O-C 3.57Å; V644-R652 WeakPolarHBondContact O-CA 3.35Å; R652-L823 HydrophobicContact CB-CD2 3.64Å
653	Y	93.2	Very high	86.2	Confident	25 Å²	25	53.1 Å²	53.1	10%	0.098	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.6	-176.6	-65.2	-79	0	0	0	111.5	F627 V644 N646 D649 C651 H689 Q820	F627-Y653 HydrophobicContact CE1-CD2 4.46Å; V644-Y653 PolarHBondContact N-O 2.89Å; V644-Y653 PolarHBondContact O-N 3.37Å; N646-Y653 HydrophobicContact CB-CD2 3.92Å; N646-Y653 HydrophobicContact CB-CE2 3.79Å; D649-Y653 PolarHBondContact OD2-OH 2.86Å; C651-Y653 HydrophobicContact CB-CD2 4.48Å; C651-Y653 HydrophobicContact CB-CE2 3.58Å; C651-Y653 WeakPolarHBondContact O-CD2 3.37Å; Y653-H689 AromaticContact CE1-CE1 3.68Å; Y653-H689 AromaticContact CE1-ND1 3.82Å; Y653-H689 AromaticContact CE1-NE2 3.81Å; Y653-Q820 HydrophobicContact CD1-CG 3.92Å; Y653-Q820 VanDerWaalsContact CD1-NE2 3.31Å; Y653-Q820 VanDerWaalsContact CD2-NE2 3.25Å; Y653-Q820 HydrophobicContact CG-CG 3.92Å
654	A	93.1	Very high	85	Confident	9 Å²	9	57.9 Å²	57.9	7%	0.074	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.5	163.1	0	0	0	0	0	108.6	L633 V641 F642 M821 L823	L633-A654 HydrophobicContact CD1-CB 3.75Å; V641-A654 HydrophobicContact CG1-CB 4.34Å; F642-A654 CarbonylContact O-C 3.3Å; F642-A654 WeakPolarHBondContact O-CA 3.47Å; A654-M821 HydrophobicContact CB-CB 4.48Å; A654-M821 HydrophobicContact CB-CE 4.37Å; A654-M821 PolarHBondContact N-O 2.96Å; A654-M821 PolarHBondContact O-N 3.07Å; A654-L823 HydrophobicContact CB-CD1 4.32Å
655	I	92.6	Very high	83.6	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.6	174.9	-67	175.5	0	0	0	109.9	F623 F627 V641 F642 V644 W692 Y818 I819 Q820	F623-I655 HydrophobicContact CD2-CD1 3.88Å; F623-I655 HydrophobicContact CD2-CG2 4.24Å; F623-I655 HydrophobicContact CE2-CB 4.26Å; F623-I655 HydrophobicContact CE2-CD1 3.74Å; F623-I655 HydrophobicContact CE2-CG2 4.04Å; F627-I655 HydrophobicContact CD1-CD1 3.9Å; F627-I655 HydrophobicContact CD2-CD1 3.92Å; F627-I655 HydrophobicContact CE1-CD1 3.78Å; F627-I655 HydrophobicContact CE2-CD1 3.82Å; F627-I655 HydrophobicContact CG-CD1 3.94Å; F627-I655 HydrophobicContact CZ-CD1 3.71Å; V641-I655 CarbonylContact C-O 3.54Å; V641-I655 VanDerWaalsContact CA-O 3.28Å; V641-I655 WeakPolarHBondContact CA-O 3.15Å; F642-I655 PolarHBondContact N-O 3.31Å; F642-I655 PolarHBondContact O-N 2.94Å; V644-I655 HydrophobicContact CB-CD1 4.38Å; V644-I655 HydrophobicContact CG1-CD1 4.07Å; V644-I655 HydrophobicContact CG2-CD1 3.48Å; V644-I655 VanDerWaalsContact CG2-CD1 3.48Å; V644-I655 HydrophobicContact CG2-CG1 3.92Å; I655-W692 HydrophobicContact CD1-CH2 3.96Å; I655-Y818 HydrophobicContact CG2-CD1 3.76Å; I655-I819 CarbonylContact C-O 3.53Å; I655-I819 VanDerWaalsContact CA-O 3.3Å; I655-I819 WeakPolarHBondContact CA-O 3.43Å; I655-Q820 HydrophobicContact CG1-CB 4.29Å; I655-Q820 HydrophobicContact CG1-CG 4.37Å
656	K	89.7	Confident	82.3	Confident	8 Å²	8	62.6 Å²	62.6	4%	0.035	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	119	171	-179.9	-179.7	177.8	-171.8	0	108.7	F638 Q640 V641 I658 E673 Y818 I819 M821 D889	F638-K656 WeakPolarHBondContact O-CE 3.28Å; Q640-K656 CarbonylContact O-C 3.57Å; Q640-K656 WeakPolarHBondContact O-CA 3.29Å; V641-K656 HydrophobicContact CG2-CB 4.26Å; V641-K656 HydrophobicContact CG2-CG 4.32Å; K656-I658 HydrophobicContact CD-CD1 4.18Å; K656-I658 HydrophobicContact CG-CD1 4.29Å; K656-I658 HydrophobicContact CG-CG1 4.07Å; K656-E673 IonicContact NZ-OE1 3.6Å; K656-E673 PolarHBondContact NZ-OE1 2.93Å; K656-Y818 CarbonylContact O-C 3.42Å; K656-Y818 WeakPolarHBondContact O-CA 3.29Å; K656-I819 HydrophobicContact CB-CB 4.41Å; K656-I819 PolarHBondContact N-O 3.32Å; K656-I819 PolarHBondContact O-N 3.4Å; K656-M821 HydrophobicContact CB-CE 3.73Å; K656-D889 IonicContact NZ-OD1 3.29Å; K656-D889 PolarHBondContact NZ-OD1 3.35Å
657	R	89.8	Confident	81.1	Confident	10 Å²	10	64.5 Å²	64.5	4%	0.038	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.6	177.5	-175.2	-177.3	66.5	179.9	1.5	110.5	G639 Q640 F642 D705 Y816 L817 Y818	G639-R657 WeakPolarHBondContact CA-O 3.4Å; Q640-R657 PolarHBondContact N-O 2.82Å; Q640-R657 PolarHBondContact O-N 2.91Å; F642-R657 HydrophobicContact CD2-CB 4.45Å; F642-R657 HydrophobicContact CE2-CB 3.81Å; R657-D705 IonicContact CZ-OD1 2.67Å; R657-D705 VanDerWaalsContact CZ-OD1 3.29Å; R657-D705 IonicContact CZ-OD2 2.6Å; R657-D705 IonicContact NH1-OD1 2.99Å; R657-D705 PolarHBondContact NH1-OD1 2.97Å; R657-D705 IonicContact NH1-OD2 2.73Å; R657-D705 IonicContact NH2-OD1 3.94Å; R657-D705 PolarHBondContact NH2-OD1 2.87Å; R657-D705 IonicContact NH2-OD2 2.61Å; R657-D705 PolarHBondContact NH2-OD2 2.88Å; R657-Y816 HydrophobicContact CG-CD1 4.03Å; R657-L817 CarbonylContact C-O 3.11Å; R657-L817 VanDerWaalsContact CA-O 3.23Å; R657-L817 WeakPolarHBondContact CA-O 3.46Å; R657-Y818 HydrophobicContact CB-CD1 3.99Å; R657-Y818 HydrophobicContact CB-CE1 3.98Å; R657-Y818 VanDerWaalsContact CD-OH 3.23Å; R657-Y818 WeakPolarHBondContact CD-OH 3.3Å; R657-Y818 HydrophobicContact CG-CD1 3.92Å; R657-Y818 HydrophobicContact CG-CE1 3.59Å; R657-Y818 HydrophobicContact CG-CE2 4.26Å; R657-Y818 HydrophobicContact CG-CG 4.42Å
658	I	84.7	Confident	80	Confident	27 Å²	27	62.3 Å²	62.3	14%	0.138	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.8	-176	-37.7	-168.2	0	0	0	109.7	F638 K656 Y816 L817 I819	F638-I658 WeakPolarHBondContact O-CG1 3.44Å; K656-I658 HydrophobicContact CD-CD1 4.18Å; K656-I658 HydrophobicContact CG-CD1 4.29Å; K656-I658 HydrophobicContact CG-CG1 4.07Å; I658-Y816 WeakPolarHBondContact O-CA 3.43Å; I658-L817 HydrophobicContact CB-CB 4.32Å; I658-L817 HydrophobicContact CD1-CD2 4.07Å; I658-L817 HydrophobicContact CG1-CD2 4.32Å; I658-L817 PolarHBondContact N-O 2.74Å; I658-L817 PolarHBondContact O-N 3.49Å; I658-I819 HydrophobicContact CD1-CD1 4.33Å
659	K	84.5	Confident	78.9	Confident	114 Å²	114	58.4 Å²	58.4	50%	0.496	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.7	173.9	-173.2	171.3	-179.4	127.1	0	108.7	E702 T814 Y816	K659-E702 IonicContact NZ-OE1 3.14Å; K659-E702 PolarHBondContact NZ-OE1 3.27Å; K659-T814 HydrophobicContact CD-CG2 4.15Å; K659-T814 HydrophobicContact CG-CG2 3.71Å; K659-Y816 HydrophobicContact CB-CD1 4.23Å; K659-Y816 HydrophobicContact CB-CE1 3.85Å; K659-Y816 HydrophobicContact CD-CE1 4.15Å; K659-Y816 HydrophobicContact CG-CE1 3.93Å; K659-Y816 PolarHBondContact NZ-OH 3.12Å
660	M	76.2	Confident	77.9	Confident	15 Å²	15	56.4 Å²	56.4	7%	0.074	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.4	-179.3	-61.9	-178.4	74.7	0	0	110.7	D666 F670 C815 L817	M660-D666 VanDerWaalsContact CE-C 3.5Å; M660-D666 HydrophobicContact CE-CB 3.78Å; M660-D666 VanDerWaalsContact CE-O 3.23Å; M660-D666 WeakPolarHBondContact CE-O 3.37Å; M660-F670 HydrophobicContact CE-CB 3.65Å; M660-F670 HydrophobicContact CE-CG 4.28Å; M660-F670 HydrophobicContact SD-CB 4.3Å; M660-F670 HydrophobicContact SD-CG 4.49Å; M660-C815 HydrophobicContact CB-CB 4.15Å; M660-C815 PolarHBondContact N-O 2.94Å; M660-C815 PolarHBondContact O-N 3.28Å; M660-C815 VanDerWaalsContact O-N 3.13Å; M660-C815 VanDerWaalsContact O-O 3.13Å; M660-L817 HydrophobicContact CG-CB 4.41Å; M660-L817 HydrophobicContact SD-CB 3.84Å; M660-L817 HydrophobicContact SD-CD2 4.27Å
661	N	69	Low	77.1	Confident	94 Å²	94	57.3 Å²	57.3	50%	0.503	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	139.1	149.7	-56.7	-67.9	0	0	0	106.5	T663 D666	N661-T663 HydrophobicContact CB-CG2 3.97Å; N661-T663 PolarHBondContact O-N 3.01Å; N661-D666 WeakPolarHBondContact O-CB 3.49Å; N661-D666 VanDerWaalsContact O-OD2 3.09Å
662	D	68.7	Low	76.1	Confident	62 Å²	62	59.1 Å²	59.1	33%	0.332	29%	0.289	S	S	.	.			trans	-81.4	45.8	-177.1	-160.5	60.5	0	0	0	112.5	K667 K693 C815	D662-K667 WeakPolarHBondContact O-CE 3.44Å; D662-K667 PolarHBondContact O-NZ 3.18Å; D662-K667 WeakPolarHBondContact OD1-CE 3.46Å; D662-K667 IonicContact OD1-NZ 3.75Å; D662-K667 WeakPolarHBondContact OD2-CE 3.4Å; D662-K667 IonicContact OD2-NZ 2.69Å; D662-K667 PolarHBondContact OD2-NZ 2.89Å; D662-K693 IonicContact OD1-NZ 3.3Å; D662-K693 PolarHBondContact OD1-NZ 3.21Å; D662-C815 HydrophobicContact CB-CB 4.31Å
663	T	72.6	Confident	74.9	Confident	60 Å²	60	53.6 Å²	53.6	37%	0.368	27%	0.268	S	S	.	.			trans	-80.2	158.4	176.5	80.4	0	0	0	0	111.4	N661 D665 D666 K667	N661-T663 HydrophobicContact CB-CG2 3.97Å; N661-T663 PolarHBondContact O-N 3.01Å; T663-D665 VanDerWaalsContact C-N 3.33Å; T663-D666 WeakPolarHBondContact CB-OD2 3.3Å; T663-D666 WeakPolarHBondContact CG2-OD2 3.47Å; T663-D666 PolarHBondContact O-N 3.05Å; T663-D666 WeakPolarHBondContact OG1-CB 3.41Å; T663-D666 PolarHBondContact OG1-N 2.85Å; T663-D666 VanDerWaalsContact OG1-N 3.1Å; T663-D666 PolarHBondContact OG1-OD2 2.84Å; T663-K667 WeakPolarHBondContact O-CB 3.47Å; T663-K667 WeakPolarHBondContact O-CD 3.5Å; T663-K667 VanDerWaalsContact O-CG 3.24Å; T663-K667 WeakPolarHBondContact O-CG 3.37Å; T663-K667 PolarHBondContact O-N 2.93Å
664	D	66.6	Low	73.9	Confident	110 Å²	110	53.3 Å²	53.3	59%	0.588	27%	0.269	S	S	*	.	H	α-helix	trans	-72.6	-26.9	178.9	-61.6	-29.3	0	0	0	112.7	K667 N668	D664-K667 VanDerWaalsContact OD1-CD 3.28Å; D664-K667 WeakPolarHBondContact OD1-CD 3.49Å; D664-K667 IonicContact OD1-NZ 2.92Å; D664-K667 PolarHBondContact OD1-NZ 2.78Å; D664-K667 VanDerWaalsContact OD1-NZ 3.11Å; D664-N668 WeakPolarHBondContact O-CB 3.4Å; D664-N668 VanDerWaalsContact O-CG 3.27Å; D664-N668 PolarHBondContact O-N 2.79Å; D664-N668 PolarHBondContact O-ND2 2.84Å
665	D	64.7	Low	73	Confident	107 Å²	107	59.3 Å²	59.3	57%	0.572	29%	0.294	S	S	*	.	H	α-helix	trans	-65.1	-49.4	169.8	-69.3	-36.2	0	0	0	110.6	T663 K667 N668 I669	T663-D665 VanDerWaalsContact C-N 3.33Å; D665-K667 VanDerWaalsContact C-N 3.33Å; D665-K667 PolarHBondContact O-N 2.81Å; D665-N668 PolarHBondContact O-N 2.86Å; D665-N668 VanDerWaalsContact O-N 3.16Å; D665-I669 WeakPolarHBondContact O-CG1 3.04Å; D665-I669 PolarHBondContact O-N 2.82Å
666	D	65.2	Low	71.9	Confident	48 Å²	48	59.6 Å²	59.6	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-41.1	176.8	-64.4	-52.1	0	0	0	111.5	M660 N661 T663 N668 I669 F670	M660-D666 VanDerWaalsContact CE-C 3.5Å; M660-D666 HydrophobicContact CE-CB 3.78Å; M660-D666 VanDerWaalsContact CE-O 3.23Å; M660-D666 WeakPolarHBondContact CE-O 3.37Å; N661-D666 WeakPolarHBondContact O-CB 3.49Å; N661-D666 VanDerWaalsContact O-OD2 3.09Å; T663-D666 WeakPolarHBondContact CB-OD2 3.3Å; T663-D666 WeakPolarHBondContact CG2-OD2 3.47Å; T663-D666 PolarHBondContact O-N 3.05Å; T663-D666 WeakPolarHBondContact OG1-CB 3.41Å; T663-D666 PolarHBondContact OG1-N 2.85Å; T663-D666 VanDerWaalsContact OG1-N 3.1Å; T663-D666 PolarHBondContact OG1-OD2 2.84Å; D666-N668 PolarHBondContact O-N 2.97Å; D666-I669 PolarHBondContact O-N 2.92Å; D666-F670 WeakPolarHBondContact O-CB 3.35Å; D666-F670 PolarHBondContact O-N 3.42Å
667	K	66.1	Low	71.2	Confident	50 Å²	50	59.6 Å²	59.6	22%	0.217	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-40.6	174.4	-74.9	158.4	179.6	146.1	0	112.5	D662 T663 D664 D665 L671	D662-K667 WeakPolarHBondContact O-CE 3.44Å; D662-K667 PolarHBondContact O-NZ 3.18Å; D662-K667 WeakPolarHBondContact OD1-CE 3.46Å; D662-K667 IonicContact OD1-NZ 3.75Å; D662-K667 WeakPolarHBondContact OD2-CE 3.4Å; D662-K667 IonicContact OD2-NZ 2.69Å; D662-K667 PolarHBondContact OD2-NZ 2.89Å; T663-K667 WeakPolarHBondContact O-CB 3.47Å; T663-K667 WeakPolarHBondContact O-CD 3.5Å; T663-K667 VanDerWaalsContact O-CG 3.24Å; T663-K667 WeakPolarHBondContact O-CG 3.37Å; T663-K667 PolarHBondContact O-N 2.93Å; D664-K667 VanDerWaalsContact OD1-CD 3.28Å; D664-K667 WeakPolarHBondContact OD1-CD 3.49Å; D664-K667 IonicContact OD1-NZ 2.92Å; D664-K667 PolarHBondContact OD1-NZ 2.78Å; D664-K667 VanDerWaalsContact OD1-NZ 3.11Å; D665-K667 VanDerWaalsContact C-N 3.33Å; D665-K667 PolarHBondContact O-N 2.81Å; K667-L671 WeakPolarHBondContact O-CB 3.41Å; K667-L671 VanDerWaalsContact O-CG 3.25Å; K667-L671 WeakPolarHBondContact O-CG 3.39Å; K667-L671 PolarHBondContact O-N 3.28Å
668	N	66.1	Low	70.8	Confident	103 Å²	103	61.9 Å²	61.9	55%	0.551	32%	0.318	S	S	*	.	H	α-helix	trans	-70.6	-38.6	-179.6	-78.4	-46.1	0	0	0	112.2	D664 D665 D666 R672	D664-N668 WeakPolarHBondContact O-CB 3.4Å; D664-N668 VanDerWaalsContact O-CG 3.27Å; D664-N668 PolarHBondContact O-N 2.79Å; D664-N668 PolarHBondContact O-ND2 2.84Å; D665-N668 PolarHBondContact O-N 2.86Å; D665-N668 VanDerWaalsContact O-N 3.16Å; D666-N668 PolarHBondContact O-N 2.97Å; N668-R672 PolarHBondContact O-N 3.25Å
669	I	63.2	Low	70.7	Confident	68 Å²	68	64.8 Å²	64.8	35%	0.349	34%	0.337	S	S	.	.	H	α-helix	trans	-62.4	-50.2	172.7	-62.6	161.7	0	0	0	110	D665 D666 L671 R672 E673 L963	D665-I669 WeakPolarHBondContact O-CG1 3.04Å; D665-I669 PolarHBondContact O-N 2.82Å; D666-I669 PolarHBondContact O-N 2.92Å; I669-L671 PolarHBondContact O-N 3.15Å; I669-R672 WeakPolarHBondContact O-CB 3.28Å; I669-R672 PolarHBondContact O-N 3.09Å; I669-R672 VanDerWaalsContact O-N 3.08Å; I669-E673 PolarHBondContact O-N 3.13Å; I669-E673 VanDerWaalsContact O-N 3.13Å; I669-L963 HydrophobicContact CD1-CD2 3.76Å
670	F	65.7	Low	70.7	Confident	32 Å²	32	59.9 Å²	59.9	14%	0.14	32%	0.316	C	S	.	.	H	α-helix	trans	-54.6	-49.5	175.4	151.8	-116.1	0	0	0	112.7	M660 D666 R672 E673 V674 L817	M660-F670 HydrophobicContact CE-CB 3.65Å; M660-F670 HydrophobicContact CE-CG 4.28Å; M660-F670 HydrophobicContact SD-CB 4.3Å; M660-F670 HydrophobicContact SD-CG 4.49Å; D666-F670 WeakPolarHBondContact O-CB 3.35Å; D666-F670 PolarHBondContact O-N 3.42Å; F670-R672 PolarHBondContact O-N 3.04Å; F670-E673 PolarHBondContact O-N 3.25Å; F670-V674 HydrophobicContact CD2-CB 4.43Å; F670-V674 HydrophobicContact CD2-CG2 4.02Å; F670-V674 HydrophobicContact CE2-CB 3.98Å; F670-V674 HydrophobicContact CE2-CG2 3.59Å; F670-V674 PolarHBondContact O-N 2.78Å; F670-L817 HydrophobicContact CD2-CD1 3.75Å; F670-L817 HydrophobicContact CD2-CD2 3.29Å; F670-L817 HydrophobicContact CD2-CG 4.16Å; F670-L817 HydrophobicContact CE2-CD1 3.28Å; F670-L817 HydrophobicContact CE2-CD2 3.75Å; F670-L817 HydrophobicContact CE2-CG 4.16Å; F670-L817 HydrophobicContact CG-CD2 4.15Å; F670-L817 HydrophobicContact CZ-CD1 3.94Å
671	L	68.5	Low	71.3	Confident	68 Å²	68	63.7 Å²	63.7	36%	0.356	34%	0.337	S	S	.	.	H	α-helix	trans	-64.4	-22.9	-179.4	-76	172.6	0	0	0	112.1	K667 I669 K675	K667-L671 WeakPolarHBondContact O-CB 3.41Å; K667-L671 VanDerWaalsContact O-CG 3.25Å; K667-L671 WeakPolarHBondContact O-CG 3.39Å; K667-L671 PolarHBondContact O-N 3.28Å; I669-L671 PolarHBondContact O-N 3.15Å; L671-K675 WeakPolarHBondContact O-CB 3.35Å; L671-K675 VanDerWaalsContact O-CD 3.23Å; L671-K675 WeakPolarHBondContact O-CD 3.33Å; L671-K675 WeakPolarHBondContact O-CG 3.2Å; L671-K675 PolarHBondContact O-N 3.12Å
672	R	65.8	Low	72.5	Confident	98 Å²	98	60.7 Å²	60.7	37%	0.37	32%	0.319	S	S	.	.	H	α-helix	trans	-75.4	-49.8	172.6	-174.5	-175.5	-87.6	152.5	-6.5	111.5	N668 I669 F670 V674 K675 A676 V893 T894 D898	N668-R672 PolarHBondContact O-N 3.25Å; I669-R672 WeakPolarHBondContact O-CB 3.28Å; I669-R672 PolarHBondContact O-N 3.09Å; I669-R672 VanDerWaalsContact O-N 3.08Å; F670-R672 PolarHBondContact O-N 3.04Å; R672-V674 PolarHBondContact O-N 3.47Å; R672-K675 PolarHBondContact O-N 3.33Å; R672-A676 VanDerWaalsContact O-CB 3.32Å; R672-A676 WeakPolarHBondContact O-CB 3.25Å; R672-A676 PolarHBondContact O-N 3.22Å; R672-V893 WeakPolarHBondContact CD-O 3.41Å; R672-T894 WeakPolarHBondContact CD-OG1 3.4Å; R672-D898 IonicContact CZ-OD2 2.72Å; R672-D898 IonicContact NE-OD2 2.83Å; R672-D898 IonicContact NH2-OD2 3.9Å; R672-D898 PolarHBondContact NH2-OD2 3.46Å
673	E	66.1	Low	73.6	Confident	17 Å²	17	61.1 Å²	61.1	8%	0.079	33%	0.326	C	S	.	.	H	α-helix	trans	-57.4	-50.3	177.5	-174.5	-179	-168.4	0	0	111	K656 I669 F670 A676 L677	K656-E673 IonicContact NZ-OE1 3.6Å; K656-E673 PolarHBondContact NZ-OE1 2.93Å; I669-E673 PolarHBondContact O-N 3.13Å; I669-E673 VanDerWaalsContact O-N 3.13Å; F670-E673 PolarHBondContact O-N 3.25Å; E673-A676 PolarHBondContact O-N 3.21Å; E673-L677 HydrophobicContact CG-CD1 3.97Å; E673-L677 WeakPolarHBondContact O-CB 3.18Å; E673-L677 WeakPolarHBondContact O-CG 3.47Å; E673-L677 PolarHBondContact O-N 3.2Å
674	V	73	Confident	74.6	Confident	19 Å²	19	58.4 Å²	58.4	12%	0.115	31%	0.31	C	S	.	.	H	α-helix	trans	-73.2	-34.6	-177.4	164.3	0	0	0	0	113.6	F670 R672 A678 Y688 A691 I819	F670-V674 HydrophobicContact CD2-CB 4.43Å; F670-V674 HydrophobicContact CD2-CG2 4.02Å; F670-V674 HydrophobicContact CE2-CB 3.98Å; F670-V674 HydrophobicContact CE2-CG2 3.59Å; F670-V674 PolarHBondContact O-N 2.78Å; R672-V674 PolarHBondContact O-N 3.47Å; V674-A678 WeakPolarHBondContact O-CB 3.22Å; V674-A678 PolarHBondContact O-N 3.12Å; V674-Y688 HydrophobicContact CG1-CE2 4.23Å; V674-Y688 WeakPolarHBondContact CG1-OH 3.36Å; V674-Y688 HydrophobicContact CG2-CE2 4.43Å; V674-A691 HydrophobicContact CG1-CB 4.22Å; V674-A691 HydrophobicContact CG2-CB 3.85Å; V674-I819 HydrophobicContact CG2-CD1 4.03Å; V674-I819 HydrophobicContact CG2-CG1 4.25Å
675	K	73.6	Confident	75.9	Confident	136 Å²	136	53.3 Å²	53.3	59%	0.591	28%	0.282	S	S	*	.	H	α-helix	trans	-67.1	-40.2	173.3	-74.3	172.3	-171	174	0	111.7	L671 R672 T679	L671-K675 WeakPolarHBondContact O-CB 3.35Å; L671-K675 VanDerWaalsContact O-CD 3.23Å; L671-K675 WeakPolarHBondContact O-CD 3.33Å; L671-K675 WeakPolarHBondContact O-CG 3.2Å; L671-K675 PolarHBondContact O-N 3.12Å; R672-K675 PolarHBondContact O-N 3.33Å; K675-T679 WeakPolarHBondContact O-CG2 3.36Å; K675-T679 PolarHBondContact O-N 3.07Å; K675-T679 PolarHBondContact O-OG1 3.49Å
676	A	70.4	Confident	77.1	Confident	6 Å²	6	48.7 Å²	48.7	5%	0.05	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-57.9	174.1	0	0	0	0	0	110.4	R672 E673 A678 T679 L680 L867 V893	R672-A676 VanDerWaalsContact O-CB 3.32Å; R672-A676 WeakPolarHBondContact O-CB 3.25Å; R672-A676 PolarHBondContact O-N 3.22Å; E673-A676 PolarHBondContact O-N 3.21Å; A676-A678 VanDerWaalsContact C-N 3.3Å; A676-A678 PolarHBondContact O-N 2.72Å; A676-T679 PolarHBondContact O-N 3.14Å; A676-T679 PolarHBondContact O-OG1 2.96Å; A676-L680 WeakPolarHBondContact O-CG 3.43Å; A676-L867 HydrophobicContact CB-CD1 3.85Å; A676-L867 HydrophobicContact CB-CD2 4.22Å; A676-V893 HydrophobicContact CB-CG1 4.12Å
677	L	75	Confident	78.3	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-55.1	-40.1	179.3	-76.5	175.1	0	0	0	113.7	E673 T679 L680 Y688 I819 F890	E673-L677 HydrophobicContact CG-CD1 3.97Å; E673-L677 WeakPolarHBondContact O-CB 3.18Å; E673-L677 WeakPolarHBondContact O-CG 3.47Å; E673-L677 PolarHBondContact O-N 3.2Å; L677-T679 PolarHBondContact O-N 2.76Å; L677-L680 PolarHBondContact O-N 3.16Å; L677-Y688 HydrophobicContact CB-CD2 3.86Å; L677-Y688 HydrophobicContact CB-CG 4.07Å; L677-Y688 HydrophobicContact CD1-CD2 4.42Å; L677-Y688 WeakPolarHBondContact O-CB 3.41Å; L677-I819 HydrophobicContact CD1-CG2 4.37Å; L677-F890 HydrophobicContact CD2-CB 3.91Å; L677-F890 HydrophobicContact CD2-CD1 4.44Å; L677-F890 HydrophobicContact CD2-CD2 3.52Å; L677-F890 HydrophobicContact CD2-CE2 4.2Å; L677-F890 HydrophobicContact CD2-CG 3.68Å; L677-F890 HydrophobicContact CG-CB 4.22Å; L677-F890 HydrophobicContact CG-CG 4.49Å
678	A	81.3	Confident	79.4	Confident	59 Å²	59	51.7 Å²	51.7	49%	0.488	26%	0.264	S	S	.	.	H	α-helix	trans	-71.2	-11.1	179.6	0	0	0	0	0	114.6	V674 A676 Y688	V674-A678 WeakPolarHBondContact O-CB 3.22Å; V674-A678 PolarHBondContact O-N 3.12Å; A676-A678 VanDerWaalsContact C-N 3.3Å; A676-A678 PolarHBondContact O-N 2.72Å; A678-Y688 HydrophobicContact CB-CD1 4Å; A678-Y688 HydrophobicContact CB-CE1 3.7Å
679	T	81.6	Confident	80.3	Confident	88 Å²	88	50.4 Å²	50.4	54%	0.54	26%	0.255	S	S	.	.	H	α-helix	trans	-100.1	-7	176.8	55.7	0	0	0	0	114.4	K675 A676 L677	K675-T679 WeakPolarHBondContact O-CG2 3.36Å; K675-T679 PolarHBondContact O-N 3.07Å; K675-T679 PolarHBondContact O-OG1 3.49Å; A676-T679 PolarHBondContact O-N 3.14Å; A676-T679 PolarHBondContact O-OG1 2.96Å; L677-T679 PolarHBondContact O-N 2.76Å
680	L	86.3	Confident	81.6	Confident	10 Å²	10	51.1 Å²	51.1	5%	0.052	25%	0.253	C	S	.	.			trans	-102.8	119.4	-172.3	-63.6	165.8	0	0	0	111.7	A676 L677 I685 Y861 L862 H865 L867 F890	A676-L680 WeakPolarHBondContact O-CG 3.43Å; L677-L680 PolarHBondContact O-N 3.16Å; L680-I685 HydrophobicContact CB-CD1 4.5Å; L680-I685 HydrophobicContact CB-CG2 4.5Å; L680-I685 HydrophobicContact CD2-CD1 4.38Å; L680-Y861 HydrophobicContact CB-CE1 4.23Å; L680-Y861 HydrophobicContact CD2-CD1 3.98Å; L680-Y861 HydrophobicContact CD2-CE1 3.49Å; L680-Y861 VanDerWaalsContact CD2-CE1 3.49Å; L680-Y861 HydrophobicContact CG-CE1 4.48Å; L680-L862 HydrophobicContact CD1-CD2 3.6Å; L680-L862 HydrophobicContact CD2-CD2 3.79Å; L680-L862 HydrophobicContact CG-CD2 4.37Å; L680-H865 HydrophobicContact CD2-CB 4.2Å; L680-L867 HydrophobicContact CD1-CD1 4.19Å; L680-L867 HydrophobicContact CD2-CD1 4.17Å; L680-L867 HydrophobicContact CG-CD1 4.4Å; L680-F890 HydrophobicContact CD1-CD1 4.5Å; L680-F890 HydrophobicContact CD1-CE1 4.3Å
681	D	88.6	Confident	82.7	Confident	96 Å²	96	51 Å²	51	51%	0.513	26%	0.258	S	S	.	.			trans	-132.2	100.2	167	-162.2	4.7	0	0	0	109.8	R687 Y861	D681-R687 IonicContact OD1-NH1 3.84Å; D681-R687 PolarHBondContact OD1-NH1 3.36Å; D681-R687 IonicContact OD2-CZ 3.64Å; D681-R687 IonicContact OD2-NH1 2.71Å; D681-R687 PolarHBondContact OD2-NH1 2.93Å; D681-Y861 PolarHBondContact N-OH 3.43Å; D681-Y861 PolarHBondContact O-OH 2.63Å; D681-Y861 VanDerWaalsContact O-OH 3.11Å
682	H	93.2	Very high	83.8	Confident	31 Å²	31	49.5 Å²	49.5	14%	0.144	25%	0.248	C	C	.	.			trans	-144.6	138.5	-177.1	-178.4	-104.6	0	0	0	110.4	G684 I685 Y861	H682-G684 PolarHBondContact ND1-N 2.82Å; H682-G684 VanDerWaalsContact ND1-N 3.13Å; H682-G684 PolarHBondContact O-N 3.35Å; H682-G684 VanDerWaalsContact O-N 3.11Å; H682-I685 HydrophobicContact CB-CB 4.25Å; H682-I685 HydrophobicContact CB-CD1 3.97Å; H682-I685 HydrophobicContact CB-CG1 4.09Å; H682-I685 PolarHBondContact O-N 3.42Å; H682-Y861 HydrophobicContact CB-CD1 3.59Å; H682-Y861 HydrophobicContact CB-CD2 4.08Å; H682-Y861 HydrophobicContact CB-CE1 3.63Å; H682-Y861 HydrophobicContact CB-CE2 4.13Å; H682-Y861 HydrophobicContact CB-CG 3.81Å; H682-Y861 AromaticContact CD2-CD2 3.67Å; H682-Y861 AromaticContact CD2-CG 3.71Å; H682-Y861 AromaticContact CG-CD1 3.97Å; H682-Y861 AromaticContact CG-CG 3.73Å
683	P	92.8	Very high	84.9	Confident	71 Å²	71	47.2 Å²	47.2	46%	0.461	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.6	-179.1	20.9	-34.7	0	0	0	114	K886	P683-K886 PolarHBondContact O-NZ 2.76Å
684	G	93.6	Very high	86	Confident	3 Å²	3	46.8 Å²	46.8	3%	0.031	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	13.8	175.4	0	0	0	0	0	115.8	H682 A858 K886 L887	H682-G684 PolarHBondContact ND1-N 2.82Å; H682-G684 VanDerWaalsContact ND1-N 3.13Å; H682-G684 PolarHBondContact O-N 3.35Å; H682-G684 VanDerWaalsContact O-N 3.11Å; G684-A858 WeakPolarHBondContact O-CB 3.4Å; G684-K886 CarbonylContact O-C 3.52Å; G684-K886 VanDerWaalsContact O-CA 3.32Å; G684-K886 WeakPolarHBondContact O-CA 3.3Å; G684-L887 PolarHBondContact O-N 2.78Å
685	I	92.7	Very high	86.7	Confident	3 Å²	3	51 Å²	51	2%	0.015	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-123.2	147.5	177.4	-66.3	179.7	0	0	0	109.7	L680 H682 R687 A858 Y861 L862 K886 F890	L680-I685 HydrophobicContact CB-CD1 4.5Å; L680-I685 HydrophobicContact CB-CG2 4.5Å; L680-I685 HydrophobicContact CD2-CD1 4.38Å; H682-I685 HydrophobicContact CB-CB 4.25Å; H682-I685 HydrophobicContact CB-CD1 3.97Å; H682-I685 HydrophobicContact CB-CG1 4.09Å; H682-I685 PolarHBondContact O-N 3.42Å; I685-R687 PolarHBondContact O-N 3.37Å; I685-A858 HydrophobicContact CG1-CB 4.15Å; I685-Y861 HydrophobicContact CD1-CD1 3.62Å; I685-Y861 HydrophobicContact CD1-CE1 4.05Å; I685-L862 HydrophobicContact CD1-CD2 3.96Å; I685-L862 HydrophobicContact CD1-CG 3.93Å; I685-K886 WeakPolarHBondContact O-CD 3.18Å; I685-K886 PolarHBondContact O-NZ 2.8Å; I685-F890 HydrophobicContact CG1-CZ 4.48Å; I685-F890 HydrophobicContact CG2-CE2 4.09Å; I685-F890 HydrophobicContact CG2-CZ 3.75Å
686	V	91.4	Very high	87.3	Confident	10 Å²	10	44.8 Å²	44.8	6%	0.061	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-68.7	117.3	170.1	173.6	0	0	0	0	109.9	Y688 M821 Q822 K886 L887 A888	V686-Y688 PolarHBondContact O-N 3.13Å; V686-M821 HydrophobicContact CG1-CB 3.91Å; V686-M821 HydrophobicContact CG1-SD 4.49Å; V686-Q822 HydrophobicContact CG1-CB 4.48Å; V686-K886 HydrophobicContact CG2-CB 3.97Å; V686-K886 HydrophobicContact CG2-CD 4.29Å; V686-L887 WeakPolarHBondContact CG2-O 3.34Å; V686-L887 PolarHBondContact N-O 3.26Å; V686-A888 HydrophobicContact CG2-CB 3.83Å
687	R	88.8	Confident	88	Confident	115 Å²	115	46.3 Å²	46.3	43%	0.434	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-67.6	127.9	-177.5	-179.3	179.8	-175.4	115.7	1.9	111.7	D681 I685 M821 Q822	D681-R687 IonicContact OD1-NH1 3.84Å; D681-R687 PolarHBondContact OD1-NH1 3.36Å; D681-R687 IonicContact OD2-CZ 3.64Å; D681-R687 IonicContact OD2-NH1 2.71Å; D681-R687 PolarHBondContact OD2-NH1 2.93Å; I685-R687 PolarHBondContact O-N 3.37Å; R687-M821 CarbonylContact O-C 3.29Å; R687-M821 WeakPolarHBondContact O-CA 3.41Å; R687-Q822 HydrophobicContact CB-CB 4.07Å; R687-Q822 PolarHBondContact O-N 2.83Å
688	Y	88.9	Confident	88	Confident	45 Å²	45	50.9 Å²	50.9	18%	0.176	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	146.8	169.7	169.8	-90.3	0	0	0	111.5	V674 L677 A678 V686 A691 I819	V674-Y688 HydrophobicContact CG1-CE2 4.23Å; V674-Y688 WeakPolarHBondContact CG1-OH 3.36Å; V674-Y688 HydrophobicContact CG2-CE2 4.43Å; L677-Y688 HydrophobicContact CB-CD2 3.86Å; L677-Y688 HydrophobicContact CB-CG 4.07Å; L677-Y688 HydrophobicContact CD1-CD2 4.42Å; L677-Y688 WeakPolarHBondContact O-CB 3.41Å; A678-Y688 HydrophobicContact CB-CD1 4Å; A678-Y688 HydrophobicContact CB-CE1 3.7Å; V686-Y688 PolarHBondContact O-N 3.13Å; Y688-A691 HydrophobicContact CE2-CB 4.06Å; Y688-A691 PolarHBondContact OH-N 3.13Å; Y688-A691 VanDerWaalsContact OH-N 3.09Å; Y688-I819 HydrophobicContact CD2-CG2 3.95Å; Y688-I819 HydrophobicContact CE2-CG2 4.01Å
689	H	87.1	Confident	87.7	Confident	76 Å²	76	50 Å²	50	35%	0.352	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	-58.9	176.6	-76.8	-100.5	0	0	0	113	Y653 Q820	Y653-H689 AromaticContact CE1-CE1 3.68Å; Y653-H689 AromaticContact CE1-ND1 3.82Å; Y653-H689 AromaticContact CE1-NE2 3.81Å; H689-Q820 HydrophobicContact CB-CB 4.28Å; H689-Q820 HydrophobicContact CB-CG 3.99Å; H689-Q820 PolarHBondContact N-O 3.38Å
690	R	90	Very high	87.9	Confident	83 Å²	83	46.3 Å²	46.3	31%	0.313	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	163.2	176.3	57.5	169.4	174.5	163	-3.1	111.1	D626 F627 W692 Q820	D626-R690 IonicContact OD2-CZ 3.59Å; D626-R690 VanDerWaalsContact OD2-CZ 3.23Å; D626-R690 IonicContact OD2-NH1 3.04Å; D626-R690 PolarHBondContact OD2-NH1 3.3Å; D626-R690 IonicContact OD2-NH2 3.79Å; D626-R690 PolarHBondContact OD2-NH2 2.81Å; F627-R690 VanDerWaalsContact CE2-NH2 3.26Å; R690-W692 HydrophobicContact CG-CE3 4.29Å; R690-W692 HydrophobicContact CG-CZ3 4.16Å; R690-Q820 HydrophobicContact CG-CB 4.08Å; R690-Q820 PolarHBondContact O-N 3.49Å
691	A	88.6	Confident	87.8	Confident	29 Å²	29	46 Å²	46	24%	0.24	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.9	168.7	0	0	0	0	0	110.7	V674 Y688 L817 Y818 I819	V674-A691 HydrophobicContact CG1-CB 4.22Å; V674-A691 HydrophobicContact CG2-CB 3.85Å; Y688-A691 HydrophobicContact CE2-CB 4.06Å; Y688-A691 PolarHBondContact OH-N 3.13Å; Y688-A691 VanDerWaalsContact OH-N 3.09Å; A691-L817 HydrophobicContact CB-CD1 4.38Å; A691-Y818 CarbonylContact C-O 3.49Å; A691-Y818 WeakPolarHBondContact CA-O 3.48Å; A691-Y818 VanDerWaalsContact CB-O 3.32Å; A691-Y818 WeakPolarHBondContact CB-O 3.35Å; A691-I819 HydrophobicContact CB-CG1 4.16Å
692	W	91.3	Very high	87.3	Confident	37 Å²	37	45.6 Å²	45.6	14%	0.14	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	162.7	177.5	68.8	100.3	0	0	0	111.3	F623 F627 I655 R690 E694 Y818 Q820	F623-W692 HydrophobicContact CB-CZ2 4.19Å; F623-W692 HydrophobicContact CD2-CZ2 4.36Å; F627-W692 HydrophobicContact CD2-CH2 4.29Å; F627-W692 HydrophobicContact CD2-CZ2 4.42Å; F627-W692 AromaticContact CE2-CH2 3.35Å; F627-W692 HydrophobicContact CE2-CH2 3.35Å; F627-W692 AromaticContact CE2-CZ2 3.78Å; F627-W692 HydrophobicContact CE2-CZ2 3.78Å; F627-W692 HydrophobicContact CE2-CZ3 4.19Å; F627-W692 AromaticContact CZ-CH2 3.81Å; F627-W692 HydrophobicContact CZ-CH2 3.81Å; F627-W692 HydrophobicContact CZ-CZ3 4.34Å; I655-W692 HydrophobicContact CD1-CH2 3.96Å; R690-W692 HydrophobicContact CG-CE3 4.29Å; R690-W692 HydrophobicContact CG-CZ3 4.16Å; W692-E694 PolarHBondContact NE1-OE1 3.32Å; W692-Y818 HydrophobicContact CD2-CG 4.5Å; W692-Y818 AromaticContact CE2-CG 3.76Å; W692-Y818 HydrophobicContact CH2-CG 4.48Å; W692-Y818 VanDerWaalsContact CZ2-CB 3.45Å; W692-Y818 HydrophobicContact CZ2-CD1 4.04Å; W692-Y818 HydrophobicContact CZ2-CD2 4.45Å; W692-Y818 AromaticContact CZ2-CG 3.76Å; W692-Y818 HydrophobicContact CZ2-CG 3.76Å; W692-Y818 PolarHBondContact N-O 3.07Å; W692-Y818 AromaticContact NE1-CD2 3.68Å; W692-Y818 AromaticContact NE1-CG 3.86Å; W692-Y818 PolarHBondContact O-N 3.18Å; W692-Q820 HydrophobicContact CZ3-CB 4.13Å
693	K	88.9	Confident	86.4	Confident	51 Å²	51	46.5 Å²	46.5	22%	0.222	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	143.5	176.6	-75	-174.9	158.7	-157.9	0	110.6	D662 Y695 C815 Y816 L817	D662-K693 IonicContact OD1-NZ 3.3Å; D662-K693 PolarHBondContact OD1-NZ 3.21Å; K693-Y695 HydrophobicContact CB-CE2 4.15Å; K693-Y695 WeakPolarHBondContact CD-OH 3.47Å; K693-C815 VanDerWaalsContact CD-SG 3.57Å; K693-Y816 CarbonylContact C-O 3.38Å; K693-Y816 WeakPolarHBondContact CA-O 3.45Å; K693-L817 HydrophobicContact CG-CD1 4.39Å
694	E	89.5	Confident	85.5	Confident	8 Å²	8	44.8 Å²	44.8	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.1	170.8	-62.1	-170.4	-168.1	0	0	110	F619 S621 S622 F623 W692 P696 Y816 Y818	F619-E694 HydrophobicContact CZ-CB 4.12Å; S621-E694 WeakPolarHBondContact CA-OE2 3.16Å; S621-E694 VanDerWaalsContact CB-OE2 3.31Å; S621-E694 WeakPolarHBondContact CB-OE2 3.05Å; S621-E694 PolarHBondContact OG-OE1 3.14Å; S621-E694 PolarHBondContact OG-OE2 2.77Å; S622-E694 WeakPolarHBondContact CA-OE1 3.48Å; S622-E694 VanDerWaalsContact CB-OE1 3.32Å; S622-E694 WeakPolarHBondContact CB-OE1 3.26Å; S622-E694 PolarHBondContact N-OE1 2.8Å; F623-E694 PolarHBondContact N-OE1 2.71Å; W692-E694 PolarHBondContact NE1-OE1 3.32Å; E694-P696 WeakPolarHBondContact O-CD 3.34Å; E694-Y816 PolarHBondContact N-O 3.28Å; E694-Y816 PolarHBondContact O-N 3.14Å; E694-Y818 HydrophobicContact CB-CD2 4.47Å; E694-Y818 HydrophobicContact CB-CE2 3.96Å; E694-Y818 HydrophobicContact CG-CD2 4.03Å; E694-Y818 HydrophobicContact CG-CE2 3.76Å
695	Y	87.8	Confident	84.8	Confident	108 Å²	108	46 Å²	46	42%	0.424	24%	0.242	S	C	.	.			trans	-123.2	68	-179.8	-57.4	-88.7	0	0	0	109.4	K693 C815	K693-Y695 HydrophobicContact CB-CE2 4.15Å; K693-Y695 WeakPolarHBondContact CD-OH 3.47Å; Y695-C815 HydrophobicContact CD1-CB 3.99Å; Y695-C815 HydrophobicContact CE1-CB 3.74Å
696	P	86.7	Confident	83.7	Confident	4 Å²	4	50.8 Å²	50.8	3%	0.026	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-62.8	146.5	-179.6	26.9	-34.3	0	0	0	110.8	F619 E694 W700 Q701 Y816	F619-P696 HydrophobicContact CD1-CB 4.19Å; F619-P696 HydrophobicContact CE1-CB 4.05Å; F619-P696 HydrophobicContact CZ-CB 4.43Å; E694-P696 WeakPolarHBondContact O-CD 3.34Å; P696-W700 HydrophobicContact CB-CB 4.31Å; P696-W700 HydrophobicContact CB-CD2 4.23Å; P696-W700 HydrophobicContact CB-CE3 3.57Å; P696-W700 HydrophobicContact CB-CZ3 4.35Å; P696-Q701 HydrophobicContact CB-CB 4.29Å; P696-Q701 HydrophobicContact CG-CB 3.96Å; P696-Y816 HydrophobicContact CG-CD2 3.51Å; P696-Y816 HydrophobicContact CG-CE2 3.8Å
697	P	83.1	Confident	82.6	Confident	38 Å²	38	55 Å²	55	25%	0.247	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-55.1	150.5	171.2	-24.6	33.8	0	0	0	112	P617 F619 G699 W700	P617-P697 HydrophobicContact CB-CB 4.23Å; P617-P697 HydrophobicContact CB-CG 4.05Å; P617-P697 HydrophobicContact CG-CB 3.57Å; P617-P697 HydrophobicContact CG-CG 3.8Å; F619-P697 HydrophobicContact CB-CG 4.11Å; P697-G699 PolarHBondContact O-N 3.32Å; P697-W700 HydrophobicContact CB-CB 4.12Å; P697-W700 HydrophobicContact CG-CB 4.34Å; P697-W700 WeakPolarHBondContact O-CB 3.49Å; P697-W700 PolarHBondContact O-N 2.99Å
698	A	75.9	Confident	81.4	Confident	104 Å²	104	51.9 Å²	51.9	86%	0.86	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	125	-179.4	0	0	0	0	0	111.5	W700	A698-W700 VanDerWaalsContact C-N 3.28Å; A698-W700 PolarHBondContact O-N 3.05Å
699	G	75.2	Confident	80.2	Confident	39 Å²	39	52 Å²	52	40%	0.402	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-10.3	-175.4	0	0	0	0	0	115.3	P697 E702 S703	P697-G699 PolarHBondContact O-N 3.32Å; G699-E702 VanDerWaalsContact CA-OE2 3.31Å; G699-E702 WeakPolarHBondContact CA-OE2 3.29Å; G699-E702 PolarHBondContact N-OE2 2.95Å; G699-S703 WeakPolarHBondContact O-CB 3.35Å; G699-S703 PolarHBondContact O-N 2.71Å; G699-S703 VanDerWaalsContact O-N 3.08Å
700	W	85.8	Confident	78.3	Confident	11 Å²	11	51 Å²	51	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-48.6	176.5	-176.4	96.9	0	0	0	110.7	P617 F619 P696 P697 A698 S703 H704	P617-W700 VanDerWaalsContact O-CD1 3.27Å; F619-W700 HydrophobicContact CB-CD2 4.22Å; F619-W700 HydrophobicContact CB-CG 4.31Å; F619-W700 HydrophobicContact CB-CZ2 4.48Å; F619-W700 AromaticContact CD1-CD2 3.92Å; F619-W700 HydrophobicContact CD1-CD2 3.92Å; F619-W700 AromaticContact CD1-CE2 3.86Å; F619-W700 AromaticContact CD1-CE3 3.9Å; F619-W700 HydrophobicContact CD1-CE3 3.9Å; F619-W700 AromaticContact CD1-CH2 3.93Å; F619-W700 HydrophobicContact CD1-CH2 3.93Å; F619-W700 AromaticContact CD1-CZ2 3.88Å; F619-W700 HydrophobicContact CD1-CZ2 3.88Å; F619-W700 AromaticContact CD1-CZ3 3.91Å; F619-W700 HydrophobicContact CD1-CZ3 3.91Å; F619-W700 HydrophobicContact CE1-CE3 4.44Å; F619-W700 HydrophobicContact CE1-CH2 4.45Å; F619-W700 HydrophobicContact CE1-CZ3 4.23Å; F619-W700 HydrophobicContact CG-CD2 4.46Å; P696-W700 HydrophobicContact CB-CB 4.31Å; P696-W700 HydrophobicContact CB-CD2 4.23Å; P696-W700 HydrophobicContact CB-CE3 3.57Å; P696-W700 HydrophobicContact CB-CZ3 4.35Å; P697-W700 HydrophobicContact CB-CB 4.12Å; P697-W700 HydrophobicContact CG-CB 4.34Å; P697-W700 WeakPolarHBondContact O-CB 3.49Å; P697-W700 PolarHBondContact O-N 2.99Å; A698-W700 VanDerWaalsContact C-N 3.28Å; A698-W700 PolarHBondContact O-N 3.05Å; W700-S703 PolarHBondContact O-N 2.87Å; W700-H704 AromaticContact CD1-CE1 3.63Å; W700-H704 AromaticContact CD1-ND1 3.96Å; W700-H704 AromaticContact CD2-CE1 3.86Å; W700-H704 AromaticContact CD2-ND1 3.6Å; W700-H704 AromaticContact CE2-CD2 3.84Å; W700-H704 AromaticContact CE2-CE1 3.29Å; W700-H704 AromaticContact CE2-CG 3.81Å; W700-H704 AromaticContact CE2-ND1 3.45Å; W700-H704 AromaticContact CE2-NE2 3.55Å; W700-H704 HydrophobicContact CE3-CB 4.49Å; W700-H704 AromaticContact CG-ND1 3.91Å; W700-H704 HydrophobicContact CH2-CB 4.22Å; W700-H704 AromaticContact CH2-CD2 3.76Å; W700-H704 AromaticContact CH2-CG 3.79Å; W700-H704 AromaticContact CZ2-CD2 3.4Å; W700-H704 VanDerWaalsContact CZ2-CD2 3.4Å; W700-H704 WeakPolarHBondContact CZ2-CD2 3.33Å; W700-H704 AromaticContact CZ2-CE1 3.68Å; W700-H704 AromaticContact CZ2-CG 3.67Å; W700-H704 AromaticContact CZ2-ND1 3.81Å; W700-H704 AromaticContact CZ2-NE2 3.44Å; W700-H704 WeakPolarHBondContact CZ2-NE2 3.43Å; W700-H704 HydrophobicContact CZ3-CB 4.2Å; W700-H704 AromaticContact NE1-CE1 3.15Å; W700-H704 PolarHBondContact NE1-CE1 2.93Å; W700-H704 AromaticContact NE1-ND1 3.7Å; W700-H704 AromaticContact NE1-NE2 3.6Å; W700-H704 PolarHBondContact O-N 2.81Å; W700-H704 PolarHBondContact O-ND1 2.97Å
701	Q	83.9	Confident	76.2	Confident	5 Å²	5	52.4 Å²	52.4	2%	0.023	31%	0.307	C	S	.	.	H	α-helix	trans	-68.1	-41.5	-177.5	-171.8	65	86.1	0	0	111.7	P696 S703 H704 D705 Y816 Y818	P696-Q701 HydrophobicContact CB-CB 4.29Å; P696-Q701 HydrophobicContact CG-CB 3.96Å; Q701-S703 VanDerWaalsContact C-N 3.32Å; Q701-S703 PolarHBondContact O-N 3.09Å; Q701-H704 PolarHBondContact O-N 3.49Å; Q701-D705 PolarHBondContact NE2-OD1 2.96Å; Q701-D705 WeakPolarHBondContact O-CB 3.42Å; Q701-D705 VanDerWaalsContact O-CG 3.27Å; Q701-D705 PolarHBondContact O-N 3.25Å; Q701-Y816 HydrophobicContact CB-CE2 3.87Å; Q701-Y816 HydrophobicContact CG-CD1 4.41Å; Q701-Y816 HydrophobicContact CG-CD2 4.38Å; Q701-Y816 HydrophobicContact CG-CE1 3.9Å; Q701-Y816 HydrophobicContact CG-CE2 3.88Å; Q701-Y818 PolarHBondContact OE1-OH 3.17Å
702	E	78.6	Confident	74	Confident	86 Å²	86	51.8 Å²	51.8	40%	0.402	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-41	175.8	-68.5	78.3	-172.6	0	0	111.6	K659 G699 E706 Y816	K659-E702 IonicContact NZ-OE1 3.14Å; K659-E702 PolarHBondContact NZ-OE1 3.27Å; G699-E702 VanDerWaalsContact CA-OE2 3.31Å; G699-E702 WeakPolarHBondContact CA-OE2 3.29Å; G699-E702 PolarHBondContact N-OE2 2.95Å; E702-E706 PolarHBondContact O-N 2.89Å; E702-E706 VanDerWaalsContact O-N 3.09Å; E702-Y816 PolarHBondContact OE1-OH 2.72Å
703	S	74.5	Confident	71.4	Confident	50 Å²	50	53.8 Å²	53.8	35%	0.35	31%	0.314	S	S	.	.	H	α-helix	trans	-72.9	-30.6	176.7	-175.6	0	0	0	0	113.9	G699 W700 Q701 L707	G699-S703 WeakPolarHBondContact O-CB 3.35Å; G699-S703 PolarHBondContact O-N 2.71Å; G699-S703 VanDerWaalsContact O-N 3.08Å; W700-S703 PolarHBondContact O-N 2.87Å; Q701-S703 VanDerWaalsContact C-N 3.32Å; Q701-S703 PolarHBondContact O-N 3.09Å; S703-L707 WeakPolarHBondContact O-CG 3.41Å; S703-L707 PolarHBondContact O-N 3.36Å
704	H	73.5	Confident	68.7	Low	35 Å²	35	57.4 Å²	57.4	16%	0.162	34%	0.336	C	S	.	.	H	α-helix	trans	-79.6	-31.8	175.8	-73.4	64.3	0	0	0	111.4	E624 W700 Q701 L707 V708	E624-H704 IonicContact OE1-CD2 2.59Å; W700-H704 AromaticContact CD1-CE1 3.63Å; W700-H704 AromaticContact CD1-ND1 3.96Å; W700-H704 AromaticContact CD2-CE1 3.86Å; W700-H704 AromaticContact CD2-ND1 3.6Å; W700-H704 AromaticContact CE2-CD2 3.84Å; W700-H704 AromaticContact CE2-CE1 3.29Å; W700-H704 AromaticContact CE2-CG 3.81Å; W700-H704 AromaticContact CE2-ND1 3.45Å; W700-H704 AromaticContact CE2-NE2 3.55Å; W700-H704 HydrophobicContact CE3-CB 4.49Å; W700-H704 AromaticContact CG-ND1 3.91Å; W700-H704 HydrophobicContact CH2-CB 4.22Å; W700-H704 AromaticContact CH2-CD2 3.76Å; W700-H704 AromaticContact CH2-CG 3.79Å; W700-H704 AromaticContact CZ2-CD2 3.4Å; W700-H704 VanDerWaalsContact CZ2-CD2 3.4Å; W700-H704 WeakPolarHBondContact CZ2-CD2 3.33Å; W700-H704 AromaticContact CZ2-CE1 3.68Å; W700-H704 AromaticContact CZ2-CG 3.67Å; W700-H704 AromaticContact CZ2-ND1 3.81Å; W700-H704 AromaticContact CZ2-NE2 3.44Å; W700-H704 WeakPolarHBondContact CZ2-NE2 3.43Å; W700-H704 HydrophobicContact CZ3-CB 4.2Å; W700-H704 AromaticContact NE1-CE1 3.15Å; W700-H704 PolarHBondContact NE1-CE1 2.93Å; W700-H704 AromaticContact NE1-ND1 3.7Å; W700-H704 AromaticContact NE1-NE2 3.6Å; W700-H704 PolarHBondContact O-N 2.81Å; W700-H704 PolarHBondContact O-ND1 2.97Å; Q701-H704 PolarHBondContact O-N 3.49Å; H704-L707 PolarHBondContact O-N 2.79Å; H704-V708 WeakPolarHBondContact O-CB 3.3Å; H704-V708 VanDerWaalsContact O-CG2 3.31Å; H704-V708 WeakPolarHBondContact O-CG2 3.47Å; H704-V708 PolarHBondContact O-N 3.12Å
705	D	78.3	Confident	66	Low	29 Å²	29	63.5 Å²	63.5	16%	0.155	37%	0.368	C	S	.	.	H	α-helix	trans	-62.1	-42.7	168.6	-76.7	6.4	0	0	0	111.1	R657 Q701 L707 V708 L709	R657-D705 IonicContact CZ-OD1 2.67Å; R657-D705 VanDerWaalsContact CZ-OD1 3.29Å; R657-D705 IonicContact CZ-OD2 2.6Å; R657-D705 IonicContact NH1-OD1 2.99Å; R657-D705 PolarHBondContact NH1-OD1 2.97Å; R657-D705 IonicContact NH1-OD2 2.73Å; R657-D705 IonicContact NH2-OD1 3.94Å; R657-D705 PolarHBondContact NH2-OD1 2.87Å; R657-D705 IonicContact NH2-OD2 2.61Å; R657-D705 PolarHBondContact NH2-OD2 2.88Å; Q701-D705 PolarHBondContact NE2-OD1 2.96Å; Q701-D705 WeakPolarHBondContact O-CB 3.42Å; Q701-D705 VanDerWaalsContact O-CG 3.27Å; Q701-D705 PolarHBondContact O-N 3.25Å; D705-L707 VanDerWaalsContact C-N 3.32Å; D705-L707 PolarHBondContact O-N 2.88Å; D705-V708 PolarHBondContact O-N 2.98Å; D705-L709 HydrophobicContact CB-CD1 4.28Å; D705-L709 WeakPolarHBondContact O-CB 3.22Å; D705-L709 VanDerWaalsContact O-CG 3.29Å; D705-L709 WeakPolarHBondContact O-CG 3.49Å; D705-L709 PolarHBondContact O-N 2.96Å
706	E	71.1	Confident	63.2	Low	104 Å²	104	63.8 Å²	63.8	49%	0.486	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-40.5	175.1	-170.7	176	-174.3	0	0	111.9	P423 E702 G710	P423-E706 WeakPolarHBondContact CD-OE1 3.23Å; E702-E706 PolarHBondContact O-N 2.89Å; E702-E706 VanDerWaalsContact O-N 3.09Å; E706-G710 WeakPolarHBondContact O-CA 3.38Å; E706-G710 PolarHBondContact O-N 2.98Å; E706-G710 VanDerWaalsContact O-N 3.13Å
707	L	66.8	Low	60.4	Low	97 Å²	97	67 Å²	67	51%	0.508	40%	0.403	S	S	.	.	H	α-helix	trans	-72.7	-46.7	176.5	-70.9	169.2	0	0	0	113.4	S703 H704 D705 L711	S703-L707 WeakPolarHBondContact O-CG 3.41Å; S703-L707 PolarHBondContact O-N 3.36Å; H704-L707 PolarHBondContact O-N 2.79Å; D705-L707 VanDerWaalsContact C-N 3.32Å; D705-L707 PolarHBondContact O-N 2.88Å; L707-L711 WeakPolarHBondContact O-CB 3.2Å; L707-L711 WeakPolarHBondContact O-CD1 3.21Å; L707-L711 WeakPolarHBondContact O-CG 3.18Å; L707-L711 PolarHBondContact O-N 3.34Å
708	V	64.6	Low	57.7	Low	51 Å²	51	73.8 Å²	73.8	31%	0.309	42%	0.424	S	S	.	.	H	α-helix	trans	-76.5	-43	-172.9	172.8	0	0	0	0	111.4	Y629 H704 D705 S712	Y629-V708 HydrophobicContact CD1-CG1 3.92Å; Y629-V708 HydrophobicContact CD2-CG1 3.82Å; Y629-V708 HydrophobicContact CE1-CG1 4.2Å; Y629-V708 HydrophobicContact CE2-CG1 4.08Å; Y629-V708 HydrophobicContact CG-CG1 3.73Å; H704-V708 WeakPolarHBondContact O-CB 3.3Å; H704-V708 VanDerWaalsContact O-CG2 3.31Å; H704-V708 WeakPolarHBondContact O-CG2 3.47Å; H704-V708 PolarHBondContact O-N 3.12Å; D705-V708 PolarHBondContact O-N 2.98Å; V708-S712 WeakPolarHBondContact O-CB 3.45Å; V708-S712 PolarHBondContact O-N 3.01Å; V708-S712 PolarHBondContact O-OG 3.36Å
709	L	63.7	Low	55.5	Low	47 Å²	47	74.5 Å²	74.5	25%	0.246	42%	0.423	C	S	.	.	H	α-helix	trans	-77.6	-38.6	178.9	-54.2	177.5	0	0	0	111	Y629 F642 D705 L711 S712	Y629-L709 HydrophobicContact CE2-CD2 3.93Å; Y629-L709 WeakPolarHBondContact OH-CD2 3.39Å; F642-L709 HydrophobicContact CE1-CD2 4.32Å; D705-L709 HydrophobicContact CB-CD1 4.28Å; D705-L709 WeakPolarHBondContact O-CB 3.22Å; D705-L709 VanDerWaalsContact O-CG 3.29Å; D705-L709 WeakPolarHBondContact O-CG 3.49Å; D705-L709 PolarHBondContact O-N 2.96Å; L709-L711 PolarHBondContact O-N 2.9Å; L709-S712 PolarHBondContact O-N 2.93Å; L709-S712 PolarHBondContact O-OG 3.11Å
710	G	46	Very low	53.5	Low	55 Å²	55	78.5 Å²	78.5	57%	0.567	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-6.4	178.3	0	0	0	0	0	115.4	E706	E706-G710 WeakPolarHBondContact O-CA 3.38Å; E706-G710 PolarHBondContact O-N 2.98Å; E706-G710 VanDerWaalsContact O-N 3.13Å
711	L	46.7	Very low	50.9	Low	113 Å²	113	85.1 Å²	85.1	59%	0.592	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-5.7	174.7	-67.1	174.9	0	0	0	113.6	L707 L709	L707-L711 WeakPolarHBondContact O-CB 3.2Å; L707-L711 WeakPolarHBondContact O-CD1 3.21Å; L707-L711 WeakPolarHBondContact O-CG 3.18Å; L707-L711 PolarHBondContact O-N 3.34Å; L709-L711 PolarHBondContact O-N 2.9Å
712	S	42.6	Very low	48.4	Very low	15 Å²	15	93.8 Å²	93.8	11%	0.105	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-30.2	-169.7	67.7	0	0	0	0	116.1	Y629 V708 L709	Y629-S712 VanDerWaalsContact CE1-CB 3.43Å; Y629-S712 PolarHBondContact OH-OG 2.73Å; Y629-S712 VanDerWaalsContact OH-OG 3.07Å; V708-S712 WeakPolarHBondContact O-CB 3.45Å; V708-S712 PolarHBondContact O-N 3.01Å; V708-S712 PolarHBondContact O-OG 3.36Å; L709-S712 PolarHBondContact O-N 2.93Å; L709-S712 PolarHBondContact O-OG 3.11Å
713	D	36.9	Very low	46.2	Very low	79 Å²	79	96 Å²	96	42%	0.422	54%	0.538	S	S	.	.	S	Bend	trans	-79.1	-25.3	-171.9	-66.5	-5.6	0	0	0	112.1	G515	G515-D713 VanDerWaalsContact CA-OD2 3.28Å; G515-D713 WeakPolarHBondContact CA-OD2 3.5Å; G515-D713 PolarHBondContact N-OD2 3.21Å
714	D	32.8	Very low	44.1	Very low	128 Å²	128	100.2 Å²	100.2	68%	0.684	56%	0.557	S	S	*	*	S	Bend	trans	-86	-19.2	-177.8	-81	-28.5	0	0	0	115.8
715	L	32.1	Very low	41.9	Very low	136 Å²	136	104.3 Å²	104.3	71%	0.712	59%	0.588	S	S	*	*	S	Bend	trans	-114.3	4.7	-157.8	-70.8	178.6	0	0	0	116.8
716	T	28.7	Very low	39.5	Very low	113 Å²	113	106.4 Å²	106.4	69%	0.693	62%	0.616	S	S	*	*	S	Bend	trans	-105.1	6.1	-175.8	55.6	0	0	0	0	116.3
717	S	28.6	Very low	37.4	Very low	72 Å²	72	108.6 Å²	108.6	50%	0.503	63%	0.631	S	S	.	*	S	Bend	trans	-102.3	-3.4	-172.2	58.7	0	0	0	0	116	S519	S519-S717 WeakPolarHBondContact OG-CB 3.5Å
718	R	26.4	Very low	35.5	Very low	181 Å²	181	110.9 Å²	110.9	68%	0.683	64%	0.644	S	S	*	*			trans	-145.8	60.2	-155.4	-144.6	167.4	-179.2	174.8	-1.9	117.4
719	S	30	Very low	33.6	Very low	119 Å²	119	115.9 Å²	115.9	83%	0.832	66%	0.664	S	S	*	*			trans	-154.8	74.1	167.6	68.3	0	0	0	0	116.7
720	S	31.4	Very low	31.7	Very low	122 Å²	122	119.7 Å²	119.7	85%	0.853	69%	0.685	S	S	*	*			trans	-172.9	115.2	148.6	57	0	0	0	0	111.7
721	D	31.6	Very low	30.7	Very low	150 Å²	150	123.1 Å²	123.1	80%	0.802	70%	0.698	S	S	*	*			trans	-100.2	138.7	178.6	-86.7	-33.6	0	0	0	113.1
722	F	32.1	Very low	29.6	Very low	187 Å²	187	125.2 Å²	125.2	82%	0.82	71%	0.709	S	S	*	*			trans	31	129.5	147	-66.8	-91.2	0	0	0	123
723	T	32	Very low	28.8	Very low	132 Å²	132	129.6 Å²	129.6	81%	0.81	74%	0.74	S	S	*	*				-166.4	122.2	103.3	36.1	0	0	0	0	108.9
724	D	29.5	Very low	28.2	Very low	139 Å²	139	132.8 Å²	132.8	74%	0.743	76%	0.757	S	S	*	*				82.7	90.4	85	-155.1	50.7	0	0	0	112.4
725	C	28.9	Very low	28	Very low	122 Å²	122	129.1 Å²	129.1	82%	0.824	74%	0.739	S	S	*	*				98.8	137.4	80.1	-78.1	0	0	0	0	113.5
726	G	26.8	Very low	27.6	Very low	72 Å²	72	129.9 Å²	129.9	74%	0.742	74%	0.744	S	S	*	*			trans	163.5	95	173.9	0	0	0	0	0	117.6
727	N	27.1	Very low	27.4	Very low	151 Å²	151	134.6 Å²	134.6	81%	0.807	76%	0.755	S	S	*	*			trans	31.4	107.6	145.9	-61.2	5.7	0	0	0	121
728	N	26.8	Very low	27.2	Very low	145 Å²	145	132.8 Å²	132.8	78%	0.775	74%	0.742	S	S	*	*				173.9	135.2	97	-92.2	-15	0	0	0	115
729	E	24.5	Very low	27.1	Very low	156 Å²	156	125.1 Å²	125.1	73%	0.729	72%	0.716	S	S	*	*			trans	25.6	150.1	147	-46.3	-167.4	162.6	0	0	125.1
730	N	25.1	Very low	26.9	Very low	127 Å²	127	121.2 Å²	121.2	68%	0.679	69%	0.686	S	S	*	*			trans	75.4	60.8	148.4	-58.1	-34	0	0	0	120.9
731	C	25.1	Very low	26.6	Very low	126 Å²	126	119.4 Å²	119.4	85%	0.851	67%	0.669	S	S	*	*			trans	-172.5	110.9	131.9	-95.5	0	0	0	0	108.4
732	L	22.9	Very low	26.3	Very low	157 Å²	157	117.9 Å²	117.9	82%	0.822	66%	0.661	S	S	*	*			cis	55.9	60.8	45.1	-64.8	-179.3	0	0	0	115
733	S	25.9	Very low	26	Very low	107 Å²	107	112.5 Å²	112.5	75%	0.748	65%	0.647	S	S	*	*				-176.3	104.2	115.6	35.8	0	0	0	0	115.1
734	N	24.7	Very low	25.7	Very low	147 Å²	147	117 Å²	117	79%	0.786	65%	0.649	S	S	*	*			trans	53.8	151.7	133.6	-63.3	-2.3	0	0	0	123.5
735	T	27.1	Very low	25.4	Very low	50 Å²	50	116.6 Å²	116.6	31%	0.307	64%	0.642	S	S	.	*			trans	64.5	73.8	161.7	62.9	0	0	0	0	115.8	Y767 R768	T735-Y767 HydrophobicContact CG2-CD2 4.48Å; T735-R768 VanDerWaalsContact CB-NH1 3.26Å; T735-R768 PolarHBondContact O-NH1 2.91Å; T735-R768 VanDerWaalsContact OG1-CZ 3.32Å; T735-R768 PolarHBondContact OG1-NH1 2.95Å; T735-R768 PolarHBondContact OG1-NH2 3.23Å
736	L	24.6	Very low	25.2	Very low	153 Å²	153	114.6 Å²	114.6	80%	0.801	63%	0.629	S	S	*	*				47.7	149.3	71.6	-70.3	157.5	0	0	0	114.8	S738	L736-S738 VanDerWaalsContact C-N 3.25Å; L736-S738 PolarHBondContact O-N 3.12Å
737	F	23.9	Very low	25.1	Very low	212 Å²	212	116.3 Å²	116.3	93%	0.93	63%	0.63	S	S	*	*	S	Bend	trans	-57.9	91.1	150	-87.1	-109	0	0	0	109.4
738	S	24.3	Very low	24.9	Very low	33 Å²	33	115.2 Å²	115.2	23%	0.231	63%	0.629	C	S	.	*			trans	-111	128.4	140	168.6	0	0	0	0	104.8	L736 R768	L736-S738 VanDerWaalsContact C-N 3.25Å; L736-S738 PolarHBondContact O-N 3.12Å; S738-R768 CarbonylContact C-O 3.56Å; S738-R768 WeakPolarHBondContact O-CD 3.13Å
739	S	25.4	Very low	24.8	Very low	20 Å²	20	112.6 Å²	112.6	14%	0.14	62%	0.622	C	S	.	*			cis	71.1	69	22	100.4	0	0	0	0	115.6	R768 K769	S739-R768 CarbonylContact C-O 3.56Å; S739-R768 VanDerWaalsContact C-O 3.29Å; S739-R768 PolarHBondContact N-O 2.5Å; S739-K769 WeakPolarHBondContact CA-O 3.11Å; S739-K769 PolarHBondContact N-O 3.4Å
740	N	25	Very low	24.7	Very low	37 Å²	37	113.1 Å²	113.1	20%	0.198	63%	0.629	C	S	.	*			trans	-167.2	134.4	173	-111.9	5.2	0	0	0	111.7	Y767 R768 K769 L770	N740-Y767 PolarHBondContact ND2-O 3.07Å; N740-R768 WeakPolarHBondContact CB-O 3.48Å; N740-R768 PolarHBondContact N-O 3.12Å; N740-R768 CarbonylContact O-C 3.53Å; N740-K769 VanDerWaalsContact N-C 3.31Å; N740-K769 PolarHBondContact N-O 3.38Å; N740-K769 CarbonylContact O-C 3.55Å; N740-K769 VanDerWaalsContact O-C 3.3Å; N740-K769 WeakPolarHBondContact O-CA 3.44Å; N740-K769 PolarHBondContact O-N 2.83Å; N740-L770 PolarHBondContact O-N 3.09Å
741	V	26.1	Very low	24.6	Very low	84 Å²	84	112.2 Å²	112.2	51%	0.509	63%	0.631	S	S	.	*			trans	66.3	127.6	139.6	-180	0	0	0	0	118.9
742	D	24.5	Very low	24.6	Very low	118 Å²	118	112.5 Å²	112.5	63%	0.631	63%	0.629	S	S	*	*			cis	-165.2	159.6	-18.4	-118.4	-28.2	0	0	0	114.5
743	S	26.1	Very low	24.7	Very low	74 Å²	74	110.4 Å²	110.4	52%	0.517	62%	0.619	S	S	.	*			trans	27.7	147.1	135.7	92.6	0	0	0	0	121.6
744	R	25.2	Very low	24.7	Very low	228 Å²	228	113 Å²	113	86%	0.86	62%	0.616	S	S	*	*			cis	-147.4	145.6	25.8	-63.1	177.1	-177.4	-177.6	-2.6	112.5
745	H	24.1	Very low	24.8	Very low	130 Å²	130	111.5 Å²	111.5	60%	0.602	62%	0.617	S	S	*	*			trans	-86.3	163.3	157.9	-110	-103.3	0	0	0	110.9
746	S	23.5	Very low	24.8	Very low	79 Å²	79	113.5 Å²	113.5	55%	0.552	63%	0.633	S	S	*	*			trans	-3.4	142.1	151.7	52.3	0	0	0	0	118.5
747	S	25	Very low	24.8	Very low	109 Å²	109	114.2 Å²	114.2	76%	0.762	64%	0.636	S	S	*	*			cis	-176.3	-159.5	8.6	47.4	0	0	0	0	111
748	V	23.7	Very low	24.9	Very low	127 Å²	127	106.8 Å²	106.8	77%	0.77	62%	0.619	S	S	*	*			trans	98.8	104.3	165.7	-173.8	0	0	0	0	117.1
749	S	24	Very low	25	Very low	91 Å²	91	113.1 Å²	113.1	64%	0.636	65%	0.65	S	S	*	*			trans	34.3	131.7	150.5	70.8	0	0	0	0	123.4
750	L	22.7	Very low	24.8	Very low	166 Å²	166	118 Å²	118	87%	0.869	68%	0.675	S	S	*	*				41.8	128.7	121.2	-52.6	170.7	0	0	0	118.2
751	C	22.4	Very low	24.8	Very low	108 Å²	108	124.2 Å²	124.2	73%	0.73	70%	0.702	S	S	*	*			cis	-166.4	149.3	18.2	51.7	0	0	0	0	115
752	V	25.8	Very low	24.6	Very low	132 Å²	132	124.2 Å²	124.2	80%	0.8	71%	0.706	S	S	*	*			trans	67.3	128.9	138.3	173.8	0	0	0	0	121.6
753	D	25.4	Very low	24.7	Very low	114 Å²	114	126.2 Å²	126.2	61%	0.61	71%	0.711	S	S	*	*			trans	66.6	102.8	154.9	-78.9	3.4	0	0	0	125.1
754	K	26.5	Very low	24.6	Very low	161 Å²	161	130.4 Å²	130.4	70%	0.7	72%	0.722	S	S	*	*				60.9	135.5	115.6	-64.5	-174.8	-166.8	81.7	0	121.6
755	S	25.7	Very low	24.5	Very low	115 Å²	115	124 Å²	124	80%	0.804	71%	0.712	S	S	*	*			trans	71.3	146	148	69.2	0	0	0	0	117.9
756	S	26.7	Very low	24.5	Very low	92 Å²	92	122.1 Å²	122.1	64%	0.643	71%	0.714	S	S	*	*			cis	-167.5	168.6	-20.5	49.7	0	0	0	0	108.5
757	I	26	Very low	24.6	Very low	169 Å²	169	125.4 Å²	125.4	87%	0.867	72%	0.715	S	S	*	*			trans	71.2	139.5	176.6	-47.6	152.4	0	0	0	111.7
758	G	24.3	Very low	24.5	Very low	56 Å²	56	124.2 Å²	124.2	58%	0.577	69%	0.694	S	S	*	*			cis	152	166.1	-3.4	0	0	0	0	0	110.2
759	L	27	Very low	24.7	Very low	166 Å²	166	122.4 Å²	122.4	87%	0.869	68%	0.676	S	S	*	*			trans	68.5	160.2	-173.4	-47.1	174.5	0	0	0	114.2
760	N	22.1	Very low	24.8	Very low	123 Å²	123	120.9 Å²	120.9	66%	0.658	66%	0.66	S	S	*	*				-172.9	151.1	-51.1	-128.3	40.1	0	0	0	106
761	E	23.7	Very low	25.1	Very low	166 Å²	166	118 Å²	118	78%	0.776	65%	0.654	S	S	*	*			trans	64	151.3	166.1	-67.8	150.9	-119.2	0	0	116.4
762	S	22.5	Very low	25.3	Very low	84 Å²	84	122.8 Å²	122.8	59%	0.587	66%	0.662	S	S	*	*			cis	-166.1	-179.4	-19.5	49.9	0	0	0	0	109.2
763	H	26.3	Very low	25.3	Very low	160 Å²	160	121 Å²	121	74%	0.741	66%	0.661	S	S	*	*			trans	78.6	115	169.1	-56	-76.7	0	0	0	121
764	H	25.1	Very low	25.5	Very low	163 Å²	163	119.9 Å²	119.9	76%	0.755	66%	0.661	S	S	*	*			trans	67.4	96.5	130	-74.3	-81.3	0	0	0	124.1
765	S	23	Very low	25.8	Very low	93 Å²	93	118.9 Å²	118.9	65%	0.65	66%	0.663	S	S	*	*				69.5	112	112	69.4	0	0	0	0	123.7
766	S	24.3	Very low	26.1	Very low	91 Å²	91	119.7 Å²	119.7	64%	0.636	66%	0.658	S	S	*	*				98.8	133.2	119.8	-62.2	0	0	0	0	123.7
767	Y	23.6	Very low	26.3	Very low	147 Å²	147	120 Å²	120	58%	0.576	65%	0.653	S	S	*	*			trans	79.7	144.5	152.2	-56.4	-44.5	0	0	0	120.8	T735 N740	T735-Y767 HydrophobicContact CG2-CD2 4.48Å; N740-Y767 PolarHBondContact ND2-O 3.07Å
768	R	25	Very low	26.6	Very low	84 Å²	84	114.9 Å²	114.9	32%	0.317	63%	0.632	S	S	.	*			cis	-179.5	125.5	-15.2	177.1	-163.3	-74.2	176.6	2.5	111.2	T735 S738 S739 N740	T735-R768 VanDerWaalsContact CB-NH1 3.26Å; T735-R768 PolarHBondContact O-NH1 2.91Å; T735-R768 VanDerWaalsContact OG1-CZ 3.32Å; T735-R768 PolarHBondContact OG1-NH1 2.95Å; T735-R768 PolarHBondContact OG1-NH2 3.23Å; S738-R768 CarbonylContact C-O 3.56Å; S738-R768 WeakPolarHBondContact O-CD 3.13Å; S739-R768 CarbonylContact C-O 3.56Å; S739-R768 VanDerWaalsContact C-O 3.29Å; S739-R768 PolarHBondContact N-O 2.5Å; N740-R768 WeakPolarHBondContact CB-O 3.48Å; N740-R768 PolarHBondContact N-O 3.12Å; N740-R768 CarbonylContact O-C 3.53Å
769	K	27.6	Very low	26.8	Very low	90 Å²	90	116.7 Å²	116.7	39%	0.391	63%	0.628	S	S	.	*			trans	52.8	82.3	157.5	-66.5	-169.3	153.8	-175.3	0	123.3	S739 N740 I838 S841	S739-K769 WeakPolarHBondContact CA-O 3.11Å; S739-K769 PolarHBondContact N-O 3.4Å; N740-K769 VanDerWaalsContact N-C 3.31Å; N740-K769 PolarHBondContact N-O 3.38Å; N740-K769 CarbonylContact O-C 3.55Å; N740-K769 VanDerWaalsContact O-C 3.3Å; N740-K769 WeakPolarHBondContact O-CA 3.44Å; N740-K769 PolarHBondContact O-N 2.83Å; K769-I838 HydrophobicContact CB-CD1 4.2Å; K769-I838 HydrophobicContact CG-CD1 3.88Å; K769-S841 VanDerWaalsContact CE-CB 3.5Å
770	L	25.1	Very low	26.9	Very low	58 Å²	58	112.4 Å²	112.4	30%	0.304	61%	0.605	S	S	.	*			trans	-95.6	144.7	170.7	-162.5	69.6	0	0	0	115.8	N740	N740-L770 PolarHBondContact O-N 3.09Å
771	S	29.2	Very low	27.1	Very low	105 Å²	105	109.9 Å²	109.9	73%	0.734	59%	0.594	S	S	*	*			trans	69.7	139.2	162.9	72	0	0	0	0	118.5
772	K	26	Very low	27.3	Very low	209 Å²	209	107.3 Å²	107.3	91%	0.909	58%	0.58	S	S	*	*			trans	-143.4	84.9	-178.7	-167.9	-171.7	-176.6	-166.8	0	110.2
773	A	26.8	Very low	27.5	Very low	95 Å²	95	109 Å²	109	79%	0.785	58%	0.583	S	S	*	*			trans	-156	98	172.8	0	0	0	0	0	109.8
774	C	29.5	Very low	27.6	Very low	90 Å²	90	109.5 Å²	109.5	61%	0.608	59%	0.585	S	S	*	*			trans	-132.8	143.5	169.7	-80	0	0	0	0	108.1	V834	C774-V834 HydrophobicContact CB-CG1 4.36Å
775	L	32.5	Very low	27.7	Very low	141 Å²	141	108.7 Å²	108.7	74%	0.738	58%	0.582	S	S	*	*			trans	-78.4	162.5	-167	-74.5	82.7	0	0	0	113.7	D777	L775-D777 PolarHBondContact O-N 2.65Å
776	D	32.5	Very low	27.8	Very low	131 Å²	131	111.3 Å²	111.3	70%	0.701	59%	0.588	S	S	*	*			trans	-81.9	100.2	179.6	-167.6	-13.5	0	0	0	110.4	S778	D776-S778 PolarHBondContact O-N 2.94Å; D776-S778 WeakPolarHBondContact OD1-CB 3.4Å; D776-S778 PolarHBondContact OD1-OG 3.38Å
777	D	31.3	Very low	27.8	Very low	99 Å²	99	111.2 Å²	111.2	53%	0.529	59%	0.588	S	S	.	*			trans	-74.9	37.8	-177.6	-70.7	-25.6	0	0	0	113.1	L775 R830	L775-D777 PolarHBondContact O-N 2.65Å; D777-R830 IonicContact OD2-CZ 3.88Å; D777-R830 IonicContact OD2-NH1 2.91Å; D777-R830 PolarHBondContact OD2-NH1 3.06Å; D777-R830 IonicContact OD2-NH2 2.73Å; D777-R830 PolarHBondContact OD2-NH2 3.39Å
778	S	30.7	Very low	27.8	Very low	61 Å²	61	110.5 Å²	110.5	43%	0.427	60%	0.599	S	S	.	*			trans	-112.7	10.4	-167.6	64.8	0	0	0	0	116.3	D776	D776-S778 PolarHBondContact O-N 2.94Å; D776-S778 WeakPolarHBondContact OD1-CB 3.4Å; D776-S778 PolarHBondContact OD1-OG 3.38Å
779	L	29	Very low	27.8	Very low	94 Å²	94	114.9 Å²	114.9	49%	0.492	62%	0.623	S	S	.	*			trans	-114.1	121.4	-166.2	-149.2	72.8	0	0	0	114.2	N510	N510-L779 HydrophobicContact CB-CD2 3.53Å
780	I	28.2	Very low	27.8	Very low	76 Å²	76	117 Å²	117	39%	0.39	64%	0.644	S	S	.	*			trans	-134.3	139.7	174.5	-62.5	176.1	0	0	0	108.7	F782	I780-F782 HydrophobicContact CG2-CE2 4.19Å; I780-F782 HydrophobicContact CG2-CZ 4.19Å
781	V	27.8	Very low	27.9	Very low	71 Å²	71	122.4 Å²	122.4	43%	0.43	67%	0.672	S	S	.	*			trans	-117.8	139.6	169.8	175.5	0	0	0	0	109.5	N510	N510-V781 WeakPolarHBondContact ND2-CG2 3.41Å; N510-V781 WeakPolarHBondContact OD1-CG2 3.26Å
782	F	27.6	Very low	27.6	Very low	111 Å²	111	122.6 Å²	122.6	49%	0.487	67%	0.674	S	S	.	*			trans	-99.5	130.2	168	-66.2	-79	0	0	0	110.3	I780 R966	I780-F782 HydrophobicContact CG2-CE2 4.19Å; I780-F782 HydrophobicContact CG2-CZ 4.19Å; F782-R966 WeakPolarHBondContact CE1-O 3.37Å; F782-R966 WeakPolarHBondContact CZ-O 3.43Å
783	D	26.1	Very low	27.8	Very low	120 Å²	120	120.4 Å²	120.4	64%	0.642	67%	0.671	S	S	*	*			trans	-64.6	140.9	166.4	-179.4	18.4	0	0	0	110	Q785	D783-Q785 WeakPolarHBondContact OD2-CG 3.3Å; D783-Q785 PolarHBondContact OD2-NE2 3.47Å
784	H	29.2	Very low	27.9	Very low	170 Å²	170	123.2 Å²	123.2	79%	0.787	67%	0.673	S	S	*	*			trans	-107	67.1	-178.5	-118.8	-38.6	0	0	0	110.4	N786	H784-N786 PolarHBondContact O-N 2.67Å
785	Q	27.9	Very low	27.8	Very low	146 Å²	146	121.8 Å²	121.8	68%	0.682	67%	0.673	S	S	*	*			trans	-65.2	98.8	172.6	-60.4	-166.2	3.4	0	0	110.6	D783 S787	D783-Q785 WeakPolarHBondContact OD2-CG 3.3Å; D783-Q785 PolarHBondContact OD2-NE2 3.47Å; Q785-S787 PolarHBondContact O-N 3.48Å
786	N	23.1	Very low	27.7	Very low	148 Å²	148	121 Å²	121	79%	0.791	68%	0.679	S	S	*	*			trans	-76.9	63.7	166.2	-88.4	-14.4	0	0	0	110.2	H784 T788	H784-N786 PolarHBondContact O-N 2.67Å; N786-T788 PolarHBondContact O-N 3.14Å; N786-T788 VanDerWaalsContact O-N 3.16Å
787	S	24.7	Very low	27.5	Very low	89 Å²	89	119.1 Å²	119.1	62%	0.622	68%	0.676	S	S	*	*			trans	-79	86.3	167.1	36.6	0	0	0	0	109.7	Q785 E789	Q785-S787 PolarHBondContact O-N 3.48Å; S787-E789 VanDerWaalsContact C-N 3.29Å; S787-E789 PolarHBondContact O-N 3.02Å
788	T	24.1	Very low	27.4	Very low	132 Å²	132	121.8 Å²	121.8	81%	0.81	69%	0.69	S	S	*	*			trans	-72.6	79	174.3	34.6	0	0	0	0	112	N786	N786-T788 PolarHBondContact O-N 3.14Å; N786-T788 VanDerWaalsContact O-N 3.16Å
789	E	25.2	Very low	27.2	Very low	176 Å²	176	124.2 Å²	124.2	82%	0.822	70%	0.702	S	S	*	*			trans	-92.2	83.5	164	-69.8	-166.7	166.4	0	0	110.9	S787	S787-E789 VanDerWaalsContact C-N 3.29Å; S787-E789 PolarHBondContact O-N 3.02Å
790	T	26.8	Very low	27.1	Very low	136 Å²	136	127.2 Å²	127.2	83%	0.834	71%	0.714	S	S	*	*			trans	-86	107.8	157.5	41.3	0	0	0	0	108.9	S792	T790-S792 PolarHBondContact O-N 2.84Å
791	L	26.8	Very low	27.2	Very low	171 Å²	171	131.5 Å²	131.5	90%	0.895	73%	0.732	S	S	*	*			trans	-52.2	118.5	178.4	-73	160.7	0	0	0	111.8
792	S	22.9	Very low	27.4	Very low	109 Å²	109	133.9 Å²	133.9	76%	0.762	75%	0.752	S	S	*	*			trans	-72.2	134.3	162	47.5	0	0	0	0	109.9	T790	T790-S792 PolarHBondContact O-N 2.84Å
793	L	30.8	Very low	27.5	Very low	163 Å²	163	136.7 Å²	136.7	85%	0.853	77%	0.77	S	S	*	*			trans	-163.3	125.5	146.8	-109	160.7	0	0	0	110.5
794	D	28.3	Very low	27.9	Very low	154 Å²	154	139.7 Å²	139.7	82%	0.824	78%	0.778	S	S	*	*			trans	-29.7	152.1	171.7	-42.6	-44.2	0	0	0	116.6
795	G	28.9	Very low	27.9	Very low	60 Å²	60	138.7 Å²	138.7	62%	0.619	78%	0.778	S	S	*	*			cis	148.6	156.8	4.3	0	0	0	0	0	110.7
796	S	30.6	Very low	28.1	Very low	123 Å²	123	142.1 Å²	142.1	86%	0.86	79%	0.791	S	S	*	*			trans	65.2	150.9	-176.4	79.5	0	0	0	0	116.1
797	S	28	Very low	28.3	Very low	92 Å²	92	140.3 Å²	140.3	64%	0.643	79%	0.79	S	S	*	*			cis	-171.8	152.6	-24	53.4	0	0	0	0	110.1
798	L	28.1	Very low	28.7	Very low	156 Å²	156	145 Å²	145	82%	0.817	80%	0.799	S	S	*	*			trans	68.4	146.3	168.6	-45.1	175.7	0	0	0	115.3
799	T	27.8	Very low	29	Very low	112 Å²	112	146.4 Å²	146.4	69%	0.687	80%	0.801	S	S	*	*			cis	-159.2	159.1	-16.8	13.6	0	0	0	0	108.7
800	E	26.6	Very low	29.5	Very low	156 Å²	156	146.5 Å²	146.5	73%	0.729	80%	0.802	S	S	*	*			trans	16.8	135.7	140.3	-73.2	-178.5	-130.3	0	0	120.4
801	Q	29.5	Very low	30.2	Very low	166 Å²	166	144.4 Å²	144.4	78%	0.776	79%	0.789	S	S	*	*			cis	-157.2	143.4	12.1	-92.8	147.9	37	0	0	110.2
802	S	31.9	Very low	31.5	Very low	121 Å²	121	144.8 Å²	144.8	85%	0.846	78%	0.784	S	S	*	*			trans	-169.4	118.7	141.3	54.7	0	0	0	0	111.3
803	I	31	Very low	33.4	Very low	171 Å²	171	147.2 Å²	147.2	88%	0.877	78%	0.777	S	S	*	*			trans	-96.3	124.3	177.3	-63.7	170.3	0	0	0	109.6
804	K	33.3	Very low	35.4	Very low	183 Å²	183	141.3 Å²	141.3	80%	0.796	75%	0.748	S	S	*	*			trans	-163.5	138.2	149.4	-107.4	154.6	-171.8	178.8	0	112.5
805	D	30.4	Very low	38	Very low	149 Å²	149	134 Å²	134	80%	0.797	71%	0.709	S	S	*	*			trans	57.4	78.4	152.5	-47.4	-24.4	0	0	0	119.1
806	K	30.5	Very low	40.8	Very low	217 Å²	217	131.8 Å²	131.8	94%	0.943	68%	0.682	S	S	*	*			trans	-98.5	93.9	159.1	-80.6	-171	175.1	-177	0	111.5
807	S	29	Very low	43.4	Very low	111 Å²	111	126 Å²	126	78%	0.776	64%	0.641	S	S	*	*			trans	-160.7	80.3	162.6	62.8	0	0	0	0	113.7
808	K	33.1	Very low	46.4	Very low	188 Å²	188	121.7 Å²	121.7	82%	0.817	61%	0.611	S	S	*	*			trans	-137.5	104.2	160	-81.1	-169.5	175.2	-176.8	0	109.6	E810	K808-E810 PolarHBondContact O-N 2.96Å
809	N	29.4	Very low	49.4	Very low	160 Å²	160	114.3 Å²	114.3	86%	0.856	57%	0.572	S	S	*	*			trans	-79.7	104.5	162.8	-75.9	-5.1	0	0	0	107.6	T811	N809-T811 PolarHBondContact O-N 3.44Å
810	E	36.9	Very low	52.4	Low	178 Å²	178	109.3 Å²	109.3	83%	0.832	54%	0.541	S	S	*	.			trans	-72.5	94.4	172.4	-66.7	-168.8	153.8	0	0	109.4	K808 K812	K808-E810 PolarHBondContact O-N 2.96Å; E810-K812 PolarHBondContact O-N 3.01Å; E810-K812 VanDerWaalsContact O-N 3.14Å
811	T	39.7	Very low	55.5	Low	92 Å²	92	103.3 Å²	103.3	56%	0.564	51%	0.513	S	S	*	.			trans	-67.4	109.3	174.3	40.6	0	0	0	0	108.9	N809 Y813	N809-T811 PolarHBondContact O-N 3.44Å; T811-Y813 WeakPolarHBondContact O-CD2 3.34Å; T811-Y813 WeakPolarHBondContact O-CE2 3.22Å; T811-Y813 PolarHBondContact O-N 2.72Å
812	K	54.3	Low	58.5	Low	180 Å²	180	98 Å²	98	78%	0.783	49%	0.489	S	S	*	.			trans	-73.4	88.4	-173.6	-165.5	174.9	-175.8	178.5	0	110.9	E810	E810-K812 PolarHBondContact O-N 3.01Å; E810-K812 VanDerWaalsContact O-N 3.14Å
813	Y	63	Low	61.3	Low	159 Å²	159	93.1 Å²	93.1	62%	0.624	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-61.9	142.3	176.8	-63.9	-81.9	0	0	0	111.7	T811	T811-Y813 WeakPolarHBondContact O-CD2 3.34Å; T811-Y813 WeakPolarHBondContact O-CE2 3.22Å; T811-Y813 PolarHBondContact O-N 2.72Å
814	T	73.6	Confident	64.2	Low	40 Å²	40	85.4 Å²	85.4	25%	0.245	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.2	168.1	-60.7	0	0	0	0	108.8	K659 Y816	K659-T814 HydrophobicContact CD-CG2 4.15Å; K659-T814 HydrophobicContact CG-CG2 3.71Å; T814-Y816 HydrophobicContact CG2-CD2 3.87Å; T814-Y816 HydrophobicContact CG2-CE2 3.34Å
815	C	82.8	Confident	66.8	Low	0 Å²	0	78 Å²	78	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	136.5	171.8	179.3	0	0	0	0	109.2	M660 D662 K693 Y695	M660-C815 HydrophobicContact CB-CB 4.15Å; M660-C815 PolarHBondContact N-O 2.94Å; M660-C815 PolarHBondContact O-N 3.28Å; M660-C815 VanDerWaalsContact O-N 3.13Å; M660-C815 VanDerWaalsContact O-O 3.13Å; D662-C815 HydrophobicContact CB-CB 4.31Å; K693-C815 VanDerWaalsContact CD-SG 3.57Å; Y695-C815 HydrophobicContact CD1-CB 3.99Å; Y695-C815 HydrophobicContact CE1-CB 3.74Å
816	Y	87.7	Confident	69.2	Low	13 Å²	13	74.5 Å²	74.5	5%	0.051	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.9	167.9	-74	-95.6	0	0	0	109.2	R657 I658 K659 K693 E694 P696 Q701 E702 T814	R657-Y816 HydrophobicContact CG-CD1 4.03Å; I658-Y816 WeakPolarHBondContact O-CA 3.43Å; K659-Y816 HydrophobicContact CB-CD1 4.23Å; K659-Y816 HydrophobicContact CB-CE1 3.85Å; K659-Y816 HydrophobicContact CD-CE1 4.15Å; K659-Y816 HydrophobicContact CG-CE1 3.93Å; K659-Y816 PolarHBondContact NZ-OH 3.12Å; K693-Y816 CarbonylContact C-O 3.38Å; K693-Y816 WeakPolarHBondContact CA-O 3.45Å; E694-Y816 PolarHBondContact N-O 3.28Å; E694-Y816 PolarHBondContact O-N 3.14Å; P696-Y816 HydrophobicContact CG-CD2 3.51Å; P696-Y816 HydrophobicContact CG-CE2 3.8Å; Q701-Y816 HydrophobicContact CB-CE2 3.87Å; Q701-Y816 HydrophobicContact CG-CD1 4.41Å; Q701-Y816 HydrophobicContact CG-CD2 4.38Å; Q701-Y816 HydrophobicContact CG-CE1 3.9Å; Q701-Y816 HydrophobicContact CG-CE2 3.88Å; E702-Y816 PolarHBondContact OE1-OH 2.72Å; T814-Y816 HydrophobicContact CG2-CD2 3.87Å; T814-Y816 HydrophobicContact CG2-CE2 3.34Å
817	L	85.8	Confident	71.8	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136.6	171.9	169.9	66.8	0	0	0	109.1	R657 I658 M660 F670 A691 K693 I819	R657-L817 CarbonylContact C-O 3.11Å; R657-L817 VanDerWaalsContact CA-O 3.23Å; R657-L817 WeakPolarHBondContact CA-O 3.46Å; I658-L817 HydrophobicContact CB-CB 4.32Å; I658-L817 HydrophobicContact CD1-CD2 4.07Å; I658-L817 HydrophobicContact CG1-CD2 4.32Å; I658-L817 PolarHBondContact N-O 2.74Å; I658-L817 PolarHBondContact O-N 3.49Å; M660-L817 HydrophobicContact CG-CB 4.41Å; M660-L817 HydrophobicContact SD-CB 3.84Å; M660-L817 HydrophobicContact SD-CD2 4.27Å; F670-L817 HydrophobicContact CD2-CD1 3.75Å; F670-L817 HydrophobicContact CD2-CD2 3.29Å; F670-L817 HydrophobicContact CD2-CG 4.16Å; F670-L817 HydrophobicContact CE2-CD1 3.28Å; F670-L817 HydrophobicContact CE2-CD2 3.75Å; F670-L817 HydrophobicContact CE2-CG 4.16Å; F670-L817 HydrophobicContact CG-CD2 4.15Å; F670-L817 HydrophobicContact CZ-CD1 3.94Å; A691-L817 HydrophobicContact CB-CD1 4.38Å; K693-L817 HydrophobicContact CG-CD1 4.39Å; L817-I819 HydrophobicContact CD1-CG1 4.41Å; L817-I819 HydrophobicContact CD2-CD1 4.09Å; L817-I819 HydrophobicContact CD2-CG1 4.18Å; L817-I819 HydrophobicContact CG-CG1 4.11Å
818	Y	91.2	Very high	74.8	Confident	1 Å²	1	62.4 Å²	62.4	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.3	171.8	-68.1	-96.2	0	0	0	109.6	F623 I655 K656 R657 A691 W692 E694 Q701	F623-Y818 HydrophobicContact CB-CD1 4.19Å; F623-Y818 HydrophobicContact CB-CE1 3.68Å; F623-Y818 HydrophobicContact CD1-CE1 4.31Å; F623-Y818 AromaticContact CD2-CD1 3.66Å; F623-Y818 HydrophobicContact CD2-CD1 3.66Å; F623-Y818 AromaticContact CD2-CE1 3.47Å; F623-Y818 HydrophobicContact CD2-CE1 3.47Å; F623-Y818 VanDerWaalsContact CD2-CE1 3.47Å; F623-Y818 HydrophobicContact CE2-CD1 4.35Å; F623-Y818 HydrophobicContact CE2-CE1 4.13Å; F623-Y818 HydrophobicContact CG-CD1 4.15Å; F623-Y818 AromaticContact CG-CE1 3.56Å; F623-Y818 HydrophobicContact CG-CE1 3.56Å; I655-Y818 HydrophobicContact CG2-CD1 3.76Å; K656-Y818 CarbonylContact O-C 3.42Å; K656-Y818 WeakPolarHBondContact O-CA 3.29Å; R657-Y818 HydrophobicContact CB-CD1 3.99Å; R657-Y818 HydrophobicContact CB-CE1 3.98Å; R657-Y818 VanDerWaalsContact CD-OH 3.23Å; R657-Y818 WeakPolarHBondContact CD-OH 3.3Å; R657-Y818 HydrophobicContact CG-CD1 3.92Å; R657-Y818 HydrophobicContact CG-CE1 3.59Å; R657-Y818 HydrophobicContact CG-CE2 4.26Å; R657-Y818 HydrophobicContact CG-CG 4.42Å; A691-Y818 CarbonylContact C-O 3.49Å; A691-Y818 WeakPolarHBondContact CA-O 3.48Å; A691-Y818 VanDerWaalsContact CB-O 3.32Å; A691-Y818 WeakPolarHBondContact CB-O 3.35Å; W692-Y818 HydrophobicContact CD2-CG 4.5Å; W692-Y818 AromaticContact CE2-CG 3.76Å; W692-Y818 HydrophobicContact CH2-CG 4.48Å; W692-Y818 VanDerWaalsContact CZ2-CB 3.45Å; W692-Y818 HydrophobicContact CZ2-CD1 4.04Å; W692-Y818 HydrophobicContact CZ2-CD2 4.45Å; W692-Y818 AromaticContact CZ2-CG 3.76Å; W692-Y818 HydrophobicContact CZ2-CG 3.76Å; W692-Y818 PolarHBondContact N-O 3.07Å; W692-Y818 AromaticContact NE1-CD2 3.68Å; W692-Y818 AromaticContact NE1-CG 3.86Å; W692-Y818 PolarHBondContact O-N 3.18Å; E694-Y818 HydrophobicContact CB-CD2 4.47Å; E694-Y818 HydrophobicContact CB-CE2 3.96Å; E694-Y818 HydrophobicContact CG-CD2 4.03Å; E694-Y818 HydrophobicContact CG-CE2 3.76Å; Q701-Y818 PolarHBondContact OE1-OH 3.17Å
819	I	89.1	Confident	77.7	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	114.9	176.4	-54.1	177.3	0	0	0	108.6	I655 K656 I658 V674 L677 Y688 A691 L817 M821	I655-I819 CarbonylContact C-O 3.53Å; I655-I819 VanDerWaalsContact CA-O 3.3Å; I655-I819 WeakPolarHBondContact CA-O 3.43Å; K656-I819 HydrophobicContact CB-CB 4.41Å; K656-I819 PolarHBondContact N-O 3.32Å; K656-I819 PolarHBondContact O-N 3.4Å; I658-I819 HydrophobicContact CD1-CD1 4.33Å; V674-I819 HydrophobicContact CG2-CD1 4.03Å; V674-I819 HydrophobicContact CG2-CG1 4.25Å; L677-I819 HydrophobicContact CD1-CG2 4.37Å; Y688-I819 HydrophobicContact CD2-CG2 3.95Å; Y688-I819 HydrophobicContact CE2-CG2 4.01Å; A691-I819 HydrophobicContact CB-CG1 4.16Å; L817-I819 HydrophobicContact CD1-CG1 4.41Å; L817-I819 HydrophobicContact CD2-CD1 4.09Å; L817-I819 HydrophobicContact CD2-CG1 4.18Å; L817-I819 HydrophobicContact CG-CG1 4.11Å; I819-M821 HydrophobicContact CG2-CG 4.04Å; I819-M821 HydrophobicContact CG2-SD 4.48Å
820	Q	92.5	Very high	80.7	Confident	7 Å²	7	47.6 Å²	47.6	3%	0.033	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.4	176.2	-175.9	-175	-7.6	0	0	110.8	F627 Y653 I655 H689 R690 W692	F627-Q820 HydrophobicContact CE1-CG 4.5Å; F627-Q820 HydrophobicContact CZ-CG 4.41Å; Y653-Q820 HydrophobicContact CD1-CG 3.92Å; Y653-Q820 VanDerWaalsContact CD1-NE2 3.31Å; Y653-Q820 VanDerWaalsContact CD2-NE2 3.25Å; Y653-Q820 HydrophobicContact CG-CG 3.92Å; I655-Q820 HydrophobicContact CG1-CB 4.29Å; I655-Q820 HydrophobicContact CG1-CG 4.37Å; H689-Q820 HydrophobicContact CB-CB 4.28Å; H689-Q820 HydrophobicContact CB-CG 3.99Å; H689-Q820 PolarHBondContact N-O 3.38Å; R690-Q820 HydrophobicContact CG-CB 4.08Å; R690-Q820 PolarHBondContact O-N 3.49Å; W692-Q820 HydrophobicContact CZ3-CB 4.13Å
821	M	90.9	Very high	83.3	Confident	30 Å²	30	42.9 Å²	42.9	15%	0.148	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	159.1	-174.5	-58.1	177.3	-66.3	0	0	110.8	A654 K656 V686 R687 I819 L823	A654-M821 HydrophobicContact CB-CB 4.48Å; A654-M821 HydrophobicContact CB-CE 4.37Å; A654-M821 PolarHBondContact N-O 2.96Å; A654-M821 PolarHBondContact O-N 3.07Å; K656-M821 HydrophobicContact CB-CE 3.73Å; V686-M821 HydrophobicContact CG1-CB 3.91Å; V686-M821 HydrophobicContact CG1-SD 4.49Å; R687-M821 CarbonylContact O-C 3.29Å; R687-M821 WeakPolarHBondContact O-CA 3.41Å; I819-M821 HydrophobicContact CG2-CG 4.04Å; I819-M821 HydrophobicContact CG2-SD 4.48Å; M821-L823 PolarHBondContact O-N 2.96Å
822	Q	91.7	Very high	85.8	Confident	56 Å²	56	40 Å²	40	26%	0.262	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	128.1	169.2	175.7	179.6	13	0	0	111	V686 R687 C824 K886	V686-Q822 HydrophobicContact CG1-CB 4.48Å; R687-Q822 HydrophobicContact CB-CB 4.07Å; R687-Q822 PolarHBondContact O-N 2.83Å; Q822-C824 PolarHBondContact O-N 2.96Å; Q822-K886 VanDerWaalsContact OE1-CE 3.23Å
823	L	92.5	Very high	87.7	Confident	18 Å²	18	32 Å²	32	9%	0.094	16%	0.159	C	C	.	.			trans	-65.7	124.3	171.2	-177.9	63.5	0	0	0	110.2	L633 E643 R652 A654 M821	L633-L823 HydrophobicContact CD1-CD1 3.85Å; L633-L823 HydrophobicContact CD2-CD1 4.38Å; E643-L823 HydrophobicContact CG-CD1 4.02Å; E643-L823 HydrophobicContact CG-CD2 3.9Å; R652-L823 HydrophobicContact CB-CD2 3.64Å; A654-L823 HydrophobicContact CB-CD1 4.32Å; M821-L823 PolarHBondContact O-N 2.96Å
824	C	91.7	Very high	88.9	Confident	9 Å²	9	27.2 Å²	27.2	6%	0.061	15%	0.147	C	C	.	.			trans	-107.6	172.8	172	-64.9	0	0	0	0	110.3	Q822 L878 F879	Q822-C824 PolarHBondContact O-N 2.96Å; C824-L878 HydrophobicContact CB-CB 4.04Å; C824-L878 HydrophobicContact CB-CD1 3.97Å; C824-F879 WeakPolarHBondContact CB-O 3.35Å
825	S	87.3	Confident	89.6	Confident	26 Å²	26	28 Å²	28	18%	0.182	15%	0.154	C	C	.	.			trans	-55.8	140.1	168.8	-174.6	0	0	0	0	110.3	I827 F879	S825-I827 PolarHBondContact O-N 3.12Å; S825-I827 VanDerWaalsContact O-N 3.13Å; S825-I827 PolarHBondContact OG-N 2.82Å; S825-F879 WeakPolarHBondContact CB-O 3.26Å; S825-F879 PolarHBondContact N-O 3.15Å
826	P	81.4	Confident	89.8	Confident	77 Å²	77	30 Å²	30	50%	0.5	16%	0.164	S	C	.	.	S	Bend	trans	-74.1	8.4	172.3	34.1	-37.5	0	0	0	113.1	L633	L633-P826 HydrophobicContact CD2-CB 4.39Å
827	I	84.3	Confident	89.6	Confident	64 Å²	64	31 Å²	31	33%	0.328	17%	0.172	S	C	.	.			trans	-105.1	117.9	176.2	-59.8	178	0	0	0	106.8	S825 D831 W832	S825-I827 PolarHBondContact O-N 3.12Å; S825-I827 VanDerWaalsContact O-N 3.13Å; S825-I827 PolarHBondContact OG-N 2.82Å; I827-D831 HydrophobicContact CG2-CB 3.72Å; I827-W832 HydrophobicContact CG2-CB 4.45Å
828	S	91.8	Very high	89.4	Confident	9 Å²	9	32.7 Å²	32.7	6%	0.063	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-82	171.9	172.1	71.2	0	0	0	0	111.8	R830 D831 W832 I877	S828-R830 PolarHBondContact O-N 2.87Å; S828-R830 WeakPolarHBondContact OG-CB 3.43Å; S828-R830 PolarHBondContact OG-N 2.98Å; S828-D831 VanDerWaalsContact CB-OD2 3.31Å; S828-D831 WeakPolarHBondContact CB-OD2 3.06Å; S828-D831 PolarHBondContact N-OD2 2.95Å; S828-D831 PolarHBondContact O-N 3.01Å; S828-D831 PolarHBondContact OG-N 3.15Å; S828-D831 PolarHBondContact OG-OD2 2.96Å; S828-W832 WeakPolarHBondContact O-CB 3.33Å; S828-W832 PolarHBondContact O-N 2.91Å; S828-I877 CarbonylContact C-O 3.4Å; S828-I877 WeakPolarHBondContact CA-O 3.22Å
829	L	94.4	Very high	88.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-29.7	170.3	-175.3	63	0	0	0	111.1	W832 L833 M851 I855 P874 I877 F879 L885 I999 L1003	L829-W832 HydrophobicContact CD1-CD2 4.34Å; L829-W832 HydrophobicContact CD1-CE3 3.84Å; L829-W832 HydrophobicContact CD1-CZ3 4.45Å; L829-W832 PolarHBondContact O-N 2.92Å; L829-L833 HydrophobicContact CD1-CG 4.44Å; L829-L833 HydrophobicContact CG-CD1 4.06Å; L829-L833 HydrophobicContact CG-CG 4.34Å; L829-L833 VanDerWaalsContact O-CB 3.31Å; L829-L833 WeakPolarHBondContact O-CB 3.38Å; L829-L833 WeakPolarHBondContact O-CD1 3.34Å; L829-L833 WeakPolarHBondContact O-CG 3.32Å; L829-L833 PolarHBondContact O-N 3.46Å; L829-M851 HydrophobicContact CD1-CE 3.65Å; L829-I855 HydrophobicContact CD2-CD1 3.93Å; L829-P874 CarbonylContact C-O 3.57Å; L829-P874 WeakPolarHBondContact CA-O 3.06Å; L829-P874 HydrophobicContact CB-CB 4.01Å; L829-P874 WeakPolarHBondContact CB-O 3.42Å; L829-P874 HydrophobicContact CD2-CB 4.31Å; L829-P874 HydrophobicContact CG-CB 4.11Å; L829-P874 PolarHBondContact N-O 3.4Å; L829-P874 VanDerWaalsContact N-O 3.11Å; L829-I877 HydrophobicContact CB-CB 4.02Å; L829-I877 HydrophobicContact CB-CG2 4.25Å; L829-I877 HydrophobicContact CD2-CB 4.35Å; L829-I877 HydrophobicContact CD2-CD1 4.14Å; L829-I877 HydrophobicContact CD2-CG2 4.26Å; L829-I877 PolarHBondContact N-O 2.84Å; L829-F879 HydrophobicContact CD1-CE2 4.4Å; L829-F879 HydrophobicContact CD1-CZ 4.09Å; L829-L885 HydrophobicContact CD1-CD2 4.29Å; L829-I999 HydrophobicContact CD2-CG2 4.38Å; L829-L1003 HydrophobicContact CD1-CD2 4.27Å
830	R	92.2	Very high	88.3	Confident	38 Å²	38	44.6 Å²	44.6	14%	0.143	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-47.2	172	179.7	64.3	-172.1	-74.3	-4	111.5	D777 S828 W832 L833 V834 P874	D777-R830 IonicContact OD2-CZ 3.88Å; D777-R830 IonicContact OD2-NH1 2.91Å; D777-R830 PolarHBondContact OD2-NH1 3.06Å; D777-R830 IonicContact OD2-NH2 2.73Å; D777-R830 PolarHBondContact OD2-NH2 3.39Å; S828-R830 PolarHBondContact O-N 2.87Å; S828-R830 WeakPolarHBondContact OG-CB 3.43Å; S828-R830 PolarHBondContact OG-N 2.98Å; R830-W832 VanDerWaalsContact C-N 3.31Å; R830-W832 PolarHBondContact O-N 2.8Å; R830-L833 PolarHBondContact O-N 2.8Å; R830-V834 WeakPolarHBondContact O-CG2 3.21Å; R830-V834 PolarHBondContact O-N 2.85Å; R830-P874 HydrophobicContact CB-CB 4.02Å; R830-P874 PolarHBondContact N-O 2.79Å
831	D	90.7	Very high	87.9	Confident	78 Å²	78	45.3 Å²	45.3	42%	0.417	25%	0.249	S	C	.	.	H	α-helix	trans	-66	-37	178.8	-56.9	-61.2	0	0	0	111.7	I827 S828 S835	I827-D831 HydrophobicContact CG2-CB 3.72Å; S828-D831 VanDerWaalsContact CB-OD2 3.31Å; S828-D831 WeakPolarHBondContact CB-OD2 3.06Å; S828-D831 PolarHBondContact N-OD2 2.95Å; S828-D831 PolarHBondContact O-N 3.01Å; S828-D831 PolarHBondContact OG-N 3.15Å; S828-D831 PolarHBondContact OG-OD2 2.96Å; D831-S835 WeakPolarHBondContact O-CB 3.45Å; D831-S835 PolarHBondContact O-N 2.91Å; D831-S835 PolarHBondContact O-OG 2.74Å
832	W	93.6	Very high	87.8	Confident	32 Å²	32	45.3 Å²	45.3	12%	0.121	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-46.8	172.7	-175.2	97.7	0	0	0	111.3	I827 S828 L829 R830 V834 S835 H836 P843 L848 M851 F879 L1003	I827-W832 HydrophobicContact CG2-CB 4.45Å; S828-W832 WeakPolarHBondContact O-CB 3.33Å; S828-W832 PolarHBondContact O-N 2.91Å; L829-W832 HydrophobicContact CD1-CD2 4.34Å; L829-W832 HydrophobicContact CD1-CE3 3.84Å; L829-W832 HydrophobicContact CD1-CZ3 4.45Å; L829-W832 PolarHBondContact O-N 2.92Å; R830-W832 VanDerWaalsContact C-N 3.31Å; R830-W832 PolarHBondContact O-N 2.8Å; W832-V834 VanDerWaalsContact C-N 3.33Å; W832-V834 PolarHBondContact O-N 2.99Å; W832-S835 WeakPolarHBondContact CA-OG 3.37Å; W832-S835 CarbonylContact O-C 3.58Å; W832-S835 PolarHBondContact O-N 2.59Å; W832-S835 PolarHBondContact O-OG 2.87Å; W832-S835 VanDerWaalsContact O-OG 3.14Å; W832-H836 AromaticContact CD1-CE1 3.5Å; W832-H836 AromaticContact CD1-ND1 3.6Å; W832-H836 AromaticContact CD2-ND1 3.5Å; W832-H836 AromaticContact CE2-CE1 3.77Å; W832-H836 AromaticContact CE2-ND1 3.44Å; W832-H836 AromaticContact CG-CE1 3.97Å; W832-H836 AromaticContact CG-ND1 3.6Å; W832-H836 AromaticContact NE1-CE1 3.35Å; W832-H836 PolarHBondContact NE1-CE1 2.97Å; W832-H836 AromaticContact NE1-ND1 3.49Å; W832-H836 PolarHBondContact NE1-ND1 2.87Å; W832-H836 WeakPolarHBondContact O-CB 3.05Å; W832-H836 PolarHBondContact O-N 2.91Å; W832-H836 PolarHBondContact O-ND1 3Å; W832-P843 HydrophobicContact CH2-CG 3.72Å; W832-P843 HydrophobicContact CZ2-CG 3.52Å; W832-L848 HydrophobicContact CH2-CD2 3.94Å; W832-L848 HydrophobicContact CZ3-CD2 4.44Å; W832-M851 HydrophobicContact CD2-CE 4.17Å; W832-M851 HydrophobicContact CE3-CE 4.06Å; W832-M851 HydrophobicContact CH2-CE 3.75Å; W832-M851 HydrophobicContact CH2-SD 3.76Å; W832-M851 HydrophobicContact CZ2-CE 3.86Å; W832-M851 HydrophobicContact CZ2-SD 3.89Å; W832-M851 HydrophobicContact CZ3-CE 3.86Å; W832-M851 HydrophobicContact CZ3-SD 4.39Å; W832-F879 HydrophobicContact CB-CE2 3.58Å; W832-F879 HydrophobicContact CB-CZ 3.84Å; W832-F879 AromaticContact CD1-CE2 3.87Å; W832-F879 AromaticContact CD1-CZ 3.46Å; W832-F879 VanDerWaalsContact CD1-CZ 3.46Å; W832-F879 HydrophobicContact CD2-CZ 4.07Å; W832-F879 AromaticContact CG-CE2 3.79Å; W832-F879 HydrophobicContact CG-CE2 3.79Å; W832-F879 AromaticContact CG-CZ 3.52Å; W832-F879 HydrophobicContact CG-CZ 3.52Å; W832-F879 AromaticContact NE1-CZ 3.97Å; W832-L1003 HydrophobicContact CZ3-CD2 4.38Å
833	L	93.1	Very high	87.6	Confident	11 Å²	11	43.7 Å²	43.7	6%	0.058	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-41.7	176.9	-75.4	163.1	0	0	0	112	L829 R830 H836 S837 P874 E1002 L1003	L829-L833 HydrophobicContact CD1-CG 4.44Å; L829-L833 HydrophobicContact CG-CD1 4.06Å; L829-L833 HydrophobicContact CG-CG 4.34Å; L829-L833 VanDerWaalsContact O-CB 3.31Å; L829-L833 WeakPolarHBondContact O-CB 3.38Å; L829-L833 WeakPolarHBondContact O-CD1 3.34Å; L829-L833 WeakPolarHBondContact O-CG 3.32Å; L829-L833 PolarHBondContact O-N 3.46Å; R830-L833 PolarHBondContact O-N 2.8Å; L833-H836 CarbonylContact O-C 3.57Å; L833-H836 VanDerWaalsContact O-C 3.3Å; L833-H836 PolarHBondContact O-N 3.07Å; L833-S837 PolarHBondContact O-N 2.9Å; L833-P874 HydrophobicContact CD1-CB 3.82Å; L833-P874 HydrophobicContact CD1-CG 3.95Å; L833-E1002 HydrophobicContact CD1-CG 3.83Å; L833-E1002 HydrophobicContact CD2-CG 4.41Å; L833-E1002 VanDerWaalsContact CD2-O 3.22Å; L833-E1002 WeakPolarHBondContact CD2-O 3.47Å; L833-L1003 HydrophobicContact CD2-CD2 4.37Å
834	V	89.4	Confident	87.5	Confident	60 Å²	60	47 Å²	47	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-69.2	-33.7	177	171.4	0	0	0	0	112.3	C774 R830 W832 H836 S837	C774-V834 HydrophobicContact CB-CG1 4.36Å; R830-V834 WeakPolarHBondContact O-CG2 3.21Å; R830-V834 PolarHBondContact O-N 2.85Å; W832-V834 VanDerWaalsContact C-N 3.33Å; W832-V834 PolarHBondContact O-N 2.99Å; V834-H836 VanDerWaalsContact C-N 3.35Å; V834-S837 WeakPolarHBondContact O-CB 3.36Å; V834-S837 PolarHBondContact O-OG 2.8Å
835	S	86.9	Confident	87.3	Confident	56 Å²	56	51.1 Å²	51.1	39%	0.392	28%	0.279	S	S	.	.	H	α-helix	trans	-82.9	-10	175.5	52.7	0	0	0	0	114.6	D831 W832	D831-S835 WeakPolarHBondContact O-CB 3.45Å; D831-S835 PolarHBondContact O-N 2.91Å; D831-S835 PolarHBondContact O-OG 2.74Å; W832-S835 WeakPolarHBondContact CA-OG 3.37Å; W832-S835 CarbonylContact O-C 3.58Å; W832-S835 PolarHBondContact O-N 2.59Å; W832-S835 PolarHBondContact O-OG 2.87Å; W832-S835 VanDerWaalsContact O-OG 3.14Å
836	H	88.6	Confident	87.4	Confident	43 Å²	43	53.9 Å²	53.9	20%	0.199	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	42	172.7	-55.9	91.4	0	0	0	111.4	W832 L833 V834 I838 S841 R842	W832-H836 AromaticContact CD1-CE1 3.5Å; W832-H836 AromaticContact CD1-ND1 3.6Å; W832-H836 AromaticContact CD2-ND1 3.5Å; W832-H836 AromaticContact CE2-CE1 3.77Å; W832-H836 AromaticContact CE2-ND1 3.44Å; W832-H836 AromaticContact CG-CE1 3.97Å; W832-H836 AromaticContact CG-ND1 3.6Å; W832-H836 AromaticContact NE1-CE1 3.35Å; W832-H836 PolarHBondContact NE1-CE1 2.97Å; W832-H836 AromaticContact NE1-ND1 3.49Å; W832-H836 PolarHBondContact NE1-ND1 2.87Å; W832-H836 WeakPolarHBondContact O-CB 3.05Å; W832-H836 PolarHBondContact O-N 2.91Å; W832-H836 PolarHBondContact O-ND1 3Å; L833-H836 CarbonylContact O-C 3.57Å; L833-H836 VanDerWaalsContact O-C 3.3Å; L833-H836 PolarHBondContact O-N 3.07Å; V834-H836 VanDerWaalsContact C-N 3.35Å; H836-I838 PolarHBondContact O-N 3.32Å; H836-S841 WeakPolarHBondContact CA-OG 3.19Å; H836-S841 PolarHBondContact CD2-O 3.36Å; H836-R842 PolarHBondContact O-NH1 2.79Å
837	S	83.3	Confident	87.9	Confident	33 Å²	33	55.2 Å²	55.2	23%	0.231	29%	0.294	C	S	.	.			trans	-80.5	5.2	174.7	53.6	0	0	0	0	114.2	L833 V834 I1006	L833-S837 PolarHBondContact O-N 2.9Å; V834-S837 WeakPolarHBondContact O-CB 3.36Å; V834-S837 PolarHBondContact O-OG 2.8Å; S837-I1006 WeakPolarHBondContact O-CG2 3.25Å
838	I	80.7	Confident	88.3	Confident	37 Å²	37	52.7 Å²	52.7	19%	0.19	28%	0.281	C	S	.	.	S	Bend	trans	-124.5	132	-174.3	-61.6	169.9	0	0	0	108.8	K769 H836 E840 S841 R842	K769-I838 HydrophobicContact CB-CD1 4.2Å; K769-I838 HydrophobicContact CG-CD1 3.88Å; H836-I838 PolarHBondContact O-N 3.32Å; I838-E840 VanDerWaalsContact CG2-OE2 3.3Å; I838-E840 WeakPolarHBondContact CG2-OE2 3.17Å; I838-E840 PolarHBondContact O-N 3.5Å; I838-S841 WeakPolarHBondContact O-CB 3.37Å; I838-S841 PolarHBondContact O-N 3.48Å; I838-S841 PolarHBondContact O-OG 3.49Å; I838-R842 PolarHBondContact O-N 2.93Å
839	P	79.1	Confident	88.4	Confident	84 Å²	84	52.7 Å²	52.7	55%	0.545	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-48.9	-48.4	-171.9	-32.1	37.2	0	0	0	115.9	S841 R842 I1006	P839-S841 PolarHBondContact O-N 2.92Å; P839-S841 VanDerWaalsContact O-N 3.12Å; P839-R842 WeakPolarHBondContact O-CB 3.43Å; P839-R842 PolarHBondContact O-N 2.92Å; P839-I1006 HydrophobicContact CB-CD1 4.38Å; P839-I1006 HydrophobicContact CG-CD1 4.31Å
840	E	79.5	Confident	88.3	Confident	168 Å²	168	54.6 Å²	54.6	79%	0.785	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-71.7	-7.2	-177.4	-52.7	76.4	-167.9	0	0	113.6	I838	I838-E840 VanDerWaalsContact CG2-OE2 3.3Å; I838-E840 WeakPolarHBondContact CG2-OE2 3.17Å; I838-E840 PolarHBondContact O-N 3.5Å
841	S	82.8	Confident	88.4	Confident	22 Å²	22	53.5 Å²	53.5	15%	0.154	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-97.8	-15.6	173.2	71.2	0	0	0	0	113.1	K769 H836 I838 P839	K769-S841 VanDerWaalsContact CE-CB 3.5Å; H836-S841 WeakPolarHBondContact CA-OG 3.19Å; H836-S841 PolarHBondContact CD2-O 3.36Å; I838-S841 WeakPolarHBondContact O-CB 3.37Å; I838-S841 PolarHBondContact O-N 3.48Å; I838-S841 PolarHBondContact O-OG 3.49Å; P839-S841 PolarHBondContact O-N 2.92Å; P839-S841 VanDerWaalsContact O-N 3.12Å
842	R	88.3	Confident	88.7	Confident	31 Å²	31	49.8 Å²	49.8	12%	0.117	27%	0.27	C	S	.	.	S	Bend	trans	-76	132.2	-178.5	-159.2	65.6	160.5	-139.3	-7.5	110.1	H836 I838 P839 L848 E1002 L1003 I1005 I1006	H836-R842 PolarHBondContact O-NH1 2.79Å; I838-R842 PolarHBondContact O-N 2.93Å; P839-R842 WeakPolarHBondContact O-CB 3.43Å; P839-R842 PolarHBondContact O-N 2.92Å; R842-L848 HydrophobicContact CG-CD1 4.14Å; R842-L848 HydrophobicContact CG-CD2 4.42Å; R842-E1002 PolarHBondContact NH2-O 2.81Å; R842-L1003 PolarHBondContact NE-O 2.64Å; R842-L1003 PolarHBondContact NH2-O 3.04Å; R842-I1005 PolarHBondContact NH2-O 3.26Å; R842-I1006 HydrophobicContact CB-CD1 3.79Å; R842-I1006 HydrophobicContact CG-CD1 3.97Å; R842-I1006 HydrophobicContact CG-CG1 4.28Å
843	P	88.8	Confident	88.8	Confident	21 Å²	21	52.1 Å²	52.1	14%	0.136	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-58.4	157.8	174	-25.3	33.4	0	0	0	113.4	W832 E847 L848	W832-P843 HydrophobicContact CH2-CG 3.72Å; W832-P843 HydrophobicContact CZ2-CG 3.52Å; P843-E847 HydrophobicContact CB-CB 3.84Å; P843-E847 HydrophobicContact CB-CG 3.97Å; P843-L848 HydrophobicContact CB-CD2 4.38Å; P843-L848 HydrophobicContact CB-CG 4.41Å; P843-L848 HydrophobicContact CG-CD2 4.38Å; P843-L848 WeakPolarHBondContact O-CD1 3.43Å
844	P	88.9	Confident	88.9	Confident	88 Å²	88	53.6 Å²	53.6	57%	0.571	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-55.3	152.5	171.6	-23.8	34.5	0	0	0	112.4	V846 E847 L848	P844-V846 PolarHBondContact O-N 2.83Å; P844-E847 WeakPolarHBondContact O-CB 3.45Å; P844-E847 PolarHBondContact O-N 3.15Å; P844-L848 PolarHBondContact O-N 3.28Å; P844-L848 VanDerWaalsContact O-N 3.16Å
845	R	88.5	Confident	89.3	Confident	95 Å²	95	50.9 Å²	50.9	36%	0.358	27%	0.269	S	S	.	.	H	α-helix	trans	-46.9	-41.8	-179.8	-166.7	-169.6	-152.1	81.5	-13.7	113.6	E847 L848 I849 N1033 E1036	R845-E847 VanDerWaalsContact C-N 3.35Å; R845-E847 PolarHBondContact O-N 3.49Å; R845-L848 PolarHBondContact O-N 2.74Å; R845-I849 HydrophobicContact CG-CD1 4.01Å; R845-I849 VanDerWaalsContact O-CG1 3.31Å; R845-I849 WeakPolarHBondContact O-CG1 3.47Å; R845-I849 PolarHBondContact O-N 3.3Å; R845-N1033 PolarHBondContact NH1-OD1 2.68Å; R845-N1033 PolarHBondContact NH2-OD1 2.88Å; R845-E1036 IonicContact CZ-OE1 2.69Å; R845-E1036 IonicContact CZ-OE2 3.87Å; R845-E1036 IonicContact NE-OE1 2.73Å; R845-E1036 PolarHBondContact NE-OE1 3.46Å; R845-E1036 IonicContact NH2-OE1 3.66Å; R845-E1036 PolarHBondContact NH2-OE1 2.79Å; R845-E1036 IonicContact NH2-OE2 2.67Å; R845-E1036 PolarHBondContact NH2-OE2 2.97Å
846	V	89.4	Confident	89.8	Confident	85 Å²	85	48.2 Å²	48.2	52%	0.515	25%	0.25	S	S	.	.	H	α-helix	trans	-62	-41.9	180	-175.8	0	0	0	0	111.4	P844 I849 C850	P844-V846 PolarHBondContact O-N 2.83Å; V846-I849 PolarHBondContact O-N 2.86Å; V846-C850 PolarHBondContact O-N 2.66Å; V846-C850 PolarHBondContact O-SG 2.88Å; V846-C850 VanDerWaalsContact O-SG 3.37Å
847	E	90.7	Very high	90.2	Very high	105 Å²	105	48 Å²	48	49%	0.491	25%	0.249	S	C	.	.	H	α-helix	trans	-70.1	-39.4	179	-168.4	176.6	157.1	0	0	111.4	P843 P844 R845 I849 C850 M851	P843-E847 HydrophobicContact CB-CB 3.84Å; P843-E847 HydrophobicContact CB-CG 3.97Å; P844-E847 WeakPolarHBondContact O-CB 3.45Å; P844-E847 PolarHBondContact O-N 3.15Å; R845-E847 VanDerWaalsContact C-N 3.35Å; R845-E847 PolarHBondContact O-N 3.49Å; E847-I849 VanDerWaalsContact C-N 3.31Å; E847-I849 PolarHBondContact O-N 3.18Å; E847-C850 CarbonylContact O-C 3.58Å; E847-C850 PolarHBondContact O-N 2.87Å; E847-M851 WeakPolarHBondContact O-CG 3.4Å; E847-M851 PolarHBondContact O-N 3.46Å
848	L	93.4	Very high	90.7	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-37.6	172.5	-63.2	170	0	0	0	112.3	W832 R842 P843 P844 R845 M851 F852 L1003	W832-L848 HydrophobicContact CH2-CD2 3.94Å; W832-L848 HydrophobicContact CZ3-CD2 4.44Å; R842-L848 HydrophobicContact CG-CD1 4.14Å; R842-L848 HydrophobicContact CG-CD2 4.42Å; P843-L848 HydrophobicContact CB-CD2 4.38Å; P843-L848 HydrophobicContact CB-CG 4.41Å; P843-L848 HydrophobicContact CG-CD2 4.38Å; P843-L848 WeakPolarHBondContact O-CD1 3.43Å; P844-L848 PolarHBondContact O-N 3.28Å; P844-L848 VanDerWaalsContact O-N 3.16Å; R845-L848 PolarHBondContact O-N 2.74Å; L848-M851 HydrophobicContact CD2-SD 4.43Å; L848-M851 PolarHBondContact O-N 2.98Å; L848-F852 PolarHBondContact O-N 3.07Å; L848-L1003 WeakPolarHBondContact CD1-O 3.31Å; L848-L1003 HydrophobicContact CD2-CD2 4.4Å
849	I	93.2	Very high	91.5	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.046	23%	0.23	C	C	.	.	H	α-helix	trans	-69.7	-40.7	173.8	-67.8	166.6	0	0	0	110.7	R845 V846 E847 M851 F852 R853 F1000 L1062 I1063	R845-I849 HydrophobicContact CG-CD1 4.01Å; R845-I849 VanDerWaalsContact O-CG1 3.31Å; R845-I849 WeakPolarHBondContact O-CG1 3.47Å; R845-I849 PolarHBondContact O-N 3.3Å; V846-I849 PolarHBondContact O-N 2.86Å; E847-I849 VanDerWaalsContact C-N 3.31Å; E847-I849 PolarHBondContact O-N 3.18Å; I849-M851 VanDerWaalsContact C-N 3.33Å; I849-M851 PolarHBondContact O-N 2.8Å; I849-F852 PolarHBondContact O-N 2.89Å; I849-R853 WeakPolarHBondContact O-CB 3.47Å; I849-R853 PolarHBondContact O-N 3.48Å; I849-F1000 HydrophobicContact CG1-CE2 4.26Å; I849-F1000 HydrophobicContact CG1-CZ 4.24Å; I849-L1062 HydrophobicContact CD1-CD1 3.87Å; I849-L1062 HydrophobicContact CD1-CG 4.36Å; I849-I1063 HydrophobicContact CG2-CD1 3.77Å
850	C	93.2	Very high	92.3	Very high	41 Å²	41	41.4 Å²	41.4	28%	0.277	21%	0.209	S	C	.	.	H	α-helix	trans	-65.1	-33.2	173.5	-74.3	0	0	0	0	113.3	V846 E847 Q854 S1066	V846-C850 PolarHBondContact O-N 2.66Å; V846-C850 PolarHBondContact O-SG 2.88Å; V846-C850 VanDerWaalsContact O-SG 3.37Å; E847-C850 CarbonylContact O-C 3.58Å; E847-C850 PolarHBondContact O-N 2.87Å; C850-Q854 WeakPolarHBondContact O-CG 3.35Å; C850-Q854 PolarHBondContact O-N 2.94Å; C850-Q854 PolarHBondContact O-NE2 2.98Å; C850-S1066 PolarHBondContact SG-O 2.88Å; C850-S1066 VanDerWaalsContact SG-O 3.36Å; C850-S1066 PolarHBondContact SG-OG 3.15Å
851	M	94.9	Very high	93	Very high	14 Å²	14	35.7 Å²	35.7	7%	0.069	18%	0.181	C	C	.	.	H	α-helix	trans	-64.3	-51	169.3	-74.9	176.5	73.4	0	0	110.4	L829 W832 E847 L848 I849 R853 Q854 I855 F879 L885 L1003	L829-M851 HydrophobicContact CD1-CE 3.65Å; W832-M851 HydrophobicContact CD2-CE 4.17Å; W832-M851 HydrophobicContact CE3-CE 4.06Å; W832-M851 HydrophobicContact CH2-CE 3.75Å; W832-M851 HydrophobicContact CH2-SD 3.76Å; W832-M851 HydrophobicContact CZ2-CE 3.86Å; W832-M851 HydrophobicContact CZ2-SD 3.89Å; W832-M851 HydrophobicContact CZ3-CE 3.86Å; W832-M851 HydrophobicContact CZ3-SD 4.39Å; E847-M851 WeakPolarHBondContact O-CG 3.4Å; E847-M851 PolarHBondContact O-N 3.46Å; L848-M851 HydrophobicContact CD2-SD 4.43Å; L848-M851 PolarHBondContact O-N 2.98Å; I849-M851 VanDerWaalsContact C-N 3.33Å; I849-M851 PolarHBondContact O-N 2.8Å; M851-R853 VanDerWaalsContact C-N 3.31Å; M851-R853 PolarHBondContact O-N 3.2Å; M851-Q854 PolarHBondContact O-N 2.77Å; M851-I855 WeakPolarHBondContact O-CG1 3.39Å; M851-I855 PolarHBondContact O-N 2.76Å; M851-F879 HydrophobicContact CE-CE1 4.22Å; M851-F879 HydrophobicContact CE-CZ 4.04Å; M851-L885 HydrophobicContact CB-CD1 3.73Å; M851-L885 HydrophobicContact CE-CD1 4.1Å; M851-L885 HydrophobicContact CG-CD1 4.09Å; M851-L885 WeakPolarHBondContact O-CD1 3.44Å; M851-L1003 HydrophobicContact CE-CD2 4.29Å
852	F	96.5	Very high	93.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.8	-42.1	177.4	-176.4	-115.7	0	0	0	112.3	L848 I849 Q854 I855 V856 L996 F1000 L1003 F1039 L1043 I1057 I1063	L848-F852 PolarHBondContact O-N 3.07Å; I849-F852 PolarHBondContact O-N 2.89Å; F852-Q854 VanDerWaalsContact C-N 3.34Å; F852-Q854 PolarHBondContact O-N 2.86Å; F852-I855 WeakPolarHBondContact O-CB 3.33Å; F852-I855 PolarHBondContact O-N 3.18Å; F852-V856 HydrophobicContact CD1-CG2 3.96Å; F852-V856 HydrophobicContact CD2-CG2 4.33Å; F852-V856 HydrophobicContact CE1-CG2 3.53Å; F852-V856 HydrophobicContact CE2-CG2 3.93Å; F852-V856 HydrophobicContact CG-CG2 4.34Å; F852-V856 HydrophobicContact CZ-CG2 3.53Å; F852-V856 WeakPolarHBondContact O-CG2 3.43Å; F852-V856 PolarHBondContact O-N 2.95Å; F852-L996 HydrophobicContact CE2-CB 4.1Å; F852-L996 HydrophobicContact CE2-CD2 3.77Å; F852-L996 WeakPolarHBondContact CE2-O 3.32Å; F852-L996 HydrophobicContact CZ-CB 4.2Å; F852-L996 HydrophobicContact CZ-CD2 4.33Å; F852-F1000 HydrophobicContact CB-CD2 3.75Å; F852-F1000 HydrophobicContact CB-CE2 3.97Å; F852-F1000 AromaticContact CD1-CD2 3.63Å; F852-F1000 HydrophobicContact CD1-CD2 3.63Å; F852-F1000 AromaticContact CD1-CE2 3.91Å; F852-F1000 HydrophobicContact CD1-CE2 3.91Å; F852-F1000 HydrophobicContact CD1-CG 4.09Å; F852-F1000 HydrophobicContact CD2-CB 3.91Å; F852-F1000 AromaticContact CD2-CD2 3.77Å; F852-F1000 HydrophobicContact CD2-CD2 3.77Å; F852-F1000 HydrophobicContact CD2-CG 4.14Å; F852-F1000 HydrophobicContact CE1-CB 4.38Å; F852-F1000 HydrophobicContact CE1-CD2 4.15Å; F852-F1000 HydrophobicContact CE1-CG 4.13Å; F852-F1000 HydrophobicContact CE2-CB 3.68Å; F852-F1000 HydrophobicContact CE2-CD2 4.29Å; F852-F1000 HydrophobicContact CE2-CG 4.19Å; F852-F1000 HydrophobicContact CG-CB 4.38Å; F852-F1000 AromaticContact CG-CD2 3.42Å; F852-F1000 HydrophobicContact CG-CD2 3.42Å; F852-F1000 VanDerWaalsContact CG-CD2 3.42Å; F852-F1000 AromaticContact CG-CE2 3.95Å; F852-F1000 HydrophobicContact CG-CE2 3.95Å; F852-F1000 HydrophobicContact CG-CG 4.09Å; F852-F1000 HydrophobicContact CZ-CB 3.92Å; F852-F1000 HydrophobicContact CZ-CD2 4.45Å; F852-F1000 HydrophobicContact CZ-CG 4.18Å; F852-L1003 HydrophobicContact CB-CD1 3.87Å; F852-L1003 HydrophobicContact CD2-CD1 4.12Å; F852-L1003 HydrophobicContact CG-CD1 4.45Å; F852-F1039 AromaticContact CE1-CE1 3.83Å; F852-F1039 HydrophobicContact CE1-CE1 3.83Å; F852-F1039 AromaticContact CE1-CZ 3.97Å; F852-F1039 HydrophobicContact CE1-CZ 3.97Å; F852-L1043 HydrophobicContact CZ-CD1 4.17Å; F852-I1057 HydrophobicContact CE1-CG2 4.15Å; F852-I1063 HydrophobicContact CD1-CD1 3.84Å; F852-I1063 HydrophobicContact CE1-CD1 4.28Å
853	R	95.8	Very high	93.7	Very high	82 Å²	82	34.2 Å²	34.2	31%	0.309	17%	0.173	S	C	.	.	H	α-helix	trans	-55	-45.2	175.7	-174.9	-171.3	141.8	157	0	112.1	I849 M851 I855 V856 E857 L1058 I1063	I849-R853 WeakPolarHBondContact O-CB 3.47Å; I849-R853 PolarHBondContact O-N 3.48Å; M851-R853 VanDerWaalsContact C-N 3.31Å; M851-R853 PolarHBondContact O-N 3.2Å; R853-I855 VanDerWaalsContact C-N 3.26Å; R853-I855 PolarHBondContact O-N 2.89Å; R853-V856 PolarHBondContact O-N 2.69Å; R853-E857 HydrophobicContact CG-CG 4.39Å; R853-E857 IonicContact CZ-OE1 2.71Å; R853-E857 IonicContact NE-OE1 2.85Å; R853-E857 PolarHBondContact NE-OE1 3.11Å; R853-E857 IonicContact NH2-OE1 2.77Å; R853-E857 PolarHBondContact NH2-OE1 2.9Å; R853-E857 WeakPolarHBondContact O-CG 3.27Å; R853-E857 PolarHBondContact O-N 3.04Å; R853-L1058 HydrophobicContact CG-CD2 3.89Å; R853-I1063 HydrophobicContact CB-CG2 3.99Å; R853-I1063 HydrophobicContact CG-CG2 3.75Å
854	Q	95.5	Very high	93.8	Very high	42 Å²	42	39.5 Å²	39.5	20%	0.196	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-36.5	177.4	-70.9	166.9	56.6	0	0	112.6	C850 M851 F852 A858 L885	C850-Q854 WeakPolarHBondContact O-CG 3.35Å; C850-Q854 PolarHBondContact O-N 2.94Å; C850-Q854 PolarHBondContact O-NE2 2.98Å; M851-Q854 PolarHBondContact O-N 2.77Å; F852-Q854 VanDerWaalsContact C-N 3.34Å; F852-Q854 PolarHBondContact O-N 2.86Å; Q854-A858 PolarHBondContact O-N 3.15Å; Q854-L885 HydrophobicContact CB-CB 4.29Å
855	I	97.2	Very high	93.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-68.3	-47.6	176	-51.2	167.9	0	0	0	109.3	L829 M851 F852 R853 E857 A858 V859 L872 I877 L885 L887 L996 I999 L1003	L829-I855 HydrophobicContact CD2-CD1 3.93Å; M851-I855 WeakPolarHBondContact O-CG1 3.39Å; M851-I855 PolarHBondContact O-N 2.76Å; F852-I855 WeakPolarHBondContact O-CB 3.33Å; F852-I855 PolarHBondContact O-N 3.18Å; R853-I855 VanDerWaalsContact C-N 3.26Å; R853-I855 PolarHBondContact O-N 2.89Å; I855-E857 PolarHBondContact O-N 3.11Å; I855-A858 PolarHBondContact O-N 2.86Å; I855-V859 WeakPolarHBondContact O-CG2 3.39Å; I855-V859 PolarHBondContact O-N 3.48Å; I855-L872 HydrophobicContact CG2-CD2 4.5Å; I855-I877 HydrophobicContact CD1-CD1 3.92Å; I855-I877 HydrophobicContact CG1-CD1 4.25Å; I855-I877 HydrophobicContact CG1-CG2 4.41Å; I855-I877 HydrophobicContact CG2-CD1 3.78Å; I855-L885 HydrophobicContact CD1-CD1 4.22Å; I855-L885 HydrophobicContact CG1-CD1 4.01Å; I855-L887 HydrophobicContact CG2-CD2 3.96Å; I855-L996 HydrophobicContact CB-CD2 4.28Å; I855-L996 HydrophobicContact CG2-CD2 3.59Å; I855-I999 HydrophobicContact CD1-CG2 4.06Å; I855-L1003 HydrophobicContact CD1-CD1 4.3Å
856	V	97.1	Very high	93.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-37	179.2	-178.2	0	0	0	0	112.1	F852 R853 A858 V859 A860 L996 A1054 I1057 L1058	F852-V856 HydrophobicContact CD1-CG2 3.96Å; F852-V856 HydrophobicContact CD2-CG2 4.33Å; F852-V856 HydrophobicContact CE1-CG2 3.53Å; F852-V856 HydrophobicContact CE2-CG2 3.93Å; F852-V856 HydrophobicContact CG-CG2 4.34Å; F852-V856 HydrophobicContact CZ-CG2 3.53Å; F852-V856 WeakPolarHBondContact O-CG2 3.43Å; F852-V856 PolarHBondContact O-N 2.95Å; R853-V856 PolarHBondContact O-N 2.69Å; V856-A858 VanDerWaalsContact C-N 3.34Å; V856-A858 PolarHBondContact O-N 2.73Å; V856-V859 PolarHBondContact O-N 2.97Å; V856-A860 WeakPolarHBondContact O-CB 3.44Å; V856-A860 PolarHBondContact O-N 3.18Å; V856-L996 HydrophobicContact CG2-CD1 4.23Å; V856-L996 HydrophobicContact CG2-CD2 4.11Å; V856-A1054 HydrophobicContact CG1-CB 4.25Å; V856-I1057 HydrophobicContact CG1-CB 3.9Å; V856-I1057 HydrophobicContact CG1-CG2 3.86Å; V856-I1057 HydrophobicContact CG2-CG2 4.06Å; V856-L1058 HydrophobicContact CB-CD2 3.86Å; V856-L1058 HydrophobicContact CB-CG 4.48Å; V856-L1058 HydrophobicContact CG1-CD2 3.64Å; V856-L1058 HydrophobicContact CG1-CG 3.73Å
857	E	96.4	Very high	93.5	Very high	38 Å²	38	33 Å²	33	18%	0.178	17%	0.166	C	C	.	.	H	α-helix	trans	-56.9	-46.5	172.1	-76.8	173	169.7	0	0	111.4	R853 I855 A860 Y861 L1058	R853-E857 HydrophobicContact CG-CG 4.39Å; R853-E857 IonicContact CZ-OE1 2.71Å; R853-E857 IonicContact NE-OE1 2.85Å; R853-E857 PolarHBondContact NE-OE1 3.11Å; R853-E857 IonicContact NH2-OE1 2.77Å; R853-E857 PolarHBondContact NH2-OE1 2.9Å; R853-E857 WeakPolarHBondContact O-CG 3.27Å; R853-E857 PolarHBondContact O-N 3.04Å; I855-E857 PolarHBondContact O-N 3.11Å; E857-A860 PolarHBondContact O-N 2.85Å; E857-Y861 PolarHBondContact O-N 2.7Å; E857-L1058 HydrophobicContact CG-CD1 4.3Å; E857-L1058 HydrophobicContact CG-CD2 4.01Å
858	A	95.8	Very high	93.3	Very high	1 Å²	1	28 Å²	28	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-67.9	-37	178.8	0	0	0	0	0	112.9	G684 I685 Q854 I855 V856 L862 L887	G684-A858 WeakPolarHBondContact O-CB 3.4Å; I685-A858 HydrophobicContact CG1-CB 4.15Å; Q854-A858 PolarHBondContact O-N 3.15Å; I855-A858 PolarHBondContact O-N 2.86Å; V856-A858 VanDerWaalsContact C-N 3.34Å; V856-A858 PolarHBondContact O-N 2.73Å; A858-L862 WeakPolarHBondContact O-CG 3.17Å; A858-L862 PolarHBondContact O-N 3.38Å; A858-L862 VanDerWaalsContact O-N 3.08Å; A858-L887 HydrophobicContact CB-CD1 3.52Å; A858-L887 HydrophobicContact CB-CG 3.69Å
859	V	96.1	Very high	93.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68.5	-40.9	174	177.1	0	0	0	0	111.3	I855 V856 Y861 L862 H863 L872 L887 D992 L996 A1054	I855-V859 WeakPolarHBondContact O-CG2 3.39Å; I855-V859 PolarHBondContact O-N 3.48Å; V856-V859 PolarHBondContact O-N 2.97Å; V859-Y861 VanDerWaalsContact C-N 3.34Å; V859-Y861 PolarHBondContact O-N 2.59Å; V859-L862 PolarHBondContact O-N 3.26Å; V859-H863 WeakPolarHBondContact CG1-CE1 3.3Å; V859-H863 WeakPolarHBondContact CG1-NE2 3.43Å; V859-H863 WeakPolarHBondContact O-CB 3.36Å; V859-H863 PolarHBondContact O-CD2 3.06Å; V859-H863 VanDerWaalsContact O-CD2 3.31Å; V859-H863 PolarHBondContact O-N 3.02Å; V859-L872 HydrophobicContact CG2-CD1 3.67Å; V859-L887 HydrophobicContact CG2-CD1 3.91Å; V859-D992 HydrophobicContact CG1-CB 4.05Å; V859-L996 HydrophobicContact CB-CD1 4.12Å; V859-L996 HydrophobicContact CG1-CD1 3.96Å; V859-L996 HydrophobicContact CG2-CD1 4.09Å; V859-L996 HydrophobicContact CG2-CD2 4.33Å; V859-L996 HydrophobicContact CG2-CG 4.44Å; V859-A1054 HydrophobicContact CG1-CB 4.26Å
860	A	95.5	Very high	92.8	Very high	15 Å²	15	28.8 Å²	28.8	12%	0.124	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-42.8	174.8	0	0	0	0	0	111.9	V856 E857 H863 D864 A1054 P1055 L1058	V856-A860 WeakPolarHBondContact O-CB 3.44Å; V856-A860 PolarHBondContact O-N 3.18Å; E857-A860 PolarHBondContact O-N 2.85Å; A860-H863 PolarHBondContact O-N 3.46Å; A860-D864 WeakPolarHBondContact O-CB 3.34Å; A860-D864 PolarHBondContact O-N 2.92Å; A860-A1054 HydrophobicContact CB-CB 3.74Å; A860-P1055 HydrophobicContact CB-CG 4.44Å; A860-L1058 HydrophobicContact CB-CD1 4.19Å
861	Y	95.1	Very high	92.5	Very high	49 Å²	49	27.6 Å²	27.6	19%	0.192	14%	0.135	C	C	.	.	H	α-helix	trans	-63	-41.8	175.4	179.2	-90.2	0	0	0	112.5	L680 D681 H682 I685 E857 V859 H863 D864 H865	L680-Y861 HydrophobicContact CB-CE1 4.23Å; L680-Y861 HydrophobicContact CD2-CD1 3.98Å; L680-Y861 HydrophobicContact CD2-CE1 3.49Å; L680-Y861 VanDerWaalsContact CD2-CE1 3.49Å; L680-Y861 HydrophobicContact CG-CE1 4.48Å; D681-Y861 PolarHBondContact N-OH 3.43Å; D681-Y861 PolarHBondContact O-OH 2.63Å; D681-Y861 VanDerWaalsContact O-OH 3.11Å; H682-Y861 HydrophobicContact CB-CD1 3.59Å; H682-Y861 HydrophobicContact CB-CD2 4.08Å; H682-Y861 HydrophobicContact CB-CE1 3.63Å; H682-Y861 HydrophobicContact CB-CE2 4.13Å; H682-Y861 HydrophobicContact CB-CG 3.81Å; H682-Y861 AromaticContact CD2-CD2 3.67Å; H682-Y861 AromaticContact CD2-CG 3.71Å; H682-Y861 AromaticContact CG-CD1 3.97Å; H682-Y861 AromaticContact CG-CG 3.73Å; I685-Y861 HydrophobicContact CD1-CD1 3.62Å; I685-Y861 HydrophobicContact CD1-CE1 4.05Å; E857-Y861 PolarHBondContact O-N 2.7Å; V859-Y861 VanDerWaalsContact C-N 3.34Å; V859-Y861 PolarHBondContact O-N 2.59Å; Y861-H863 VanDerWaalsContact C-N 3.34Å; Y861-D864 PolarHBondContact O-N 2.59Å; Y861-H865 AromaticContact CD1-ND1 3.98Å; Y861-H865 AromaticContact CD2-CE1 3.87Å; Y861-H865 AromaticContact CE1-CE1 3.79Å; Y861-H865 AromaticContact CE1-ND1 3.84Å; Y861-H865 AromaticContact CE2-CE1 3.33Å; Y861-H865 WeakPolarHBondContact CE2-CE1 3.46Å; Y861-H865 AromaticContact CE2-ND1 3.96Å; Y861-H865 AromaticContact CZ-CE1 3.29Å; Y861-H865 AromaticContact CZ-ND1 3.81Å; Y861-H865 AromaticContact CZ-NE2 3.76Å; Y861-H865 PolarHBondContact O-N 3.38Å; Y861-H865 VanDerWaalsContact O-N 3.13Å; Y861-H865 PolarHBondContact O-ND1 2.6Å
862	L	92.1	Very high	92.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.3	-43.2	173	-73.5	166.8	0	0	0	112	L680 I685 A858 V859 H865 S866 L867 L887 F890	L680-L862 HydrophobicContact CD1-CD2 3.6Å; L680-L862 HydrophobicContact CD2-CD2 3.79Å; L680-L862 HydrophobicContact CG-CD2 4.37Å; I685-L862 HydrophobicContact CD1-CD2 3.96Å; I685-L862 HydrophobicContact CD1-CG 3.93Å; A858-L862 WeakPolarHBondContact O-CG 3.17Å; A858-L862 PolarHBondContact O-N 3.38Å; A858-L862 VanDerWaalsContact O-N 3.08Å; V859-L862 PolarHBondContact O-N 3.26Å; L862-H865 CarbonylContact O-C 3.38Å; L862-H865 PolarHBondContact O-N 3.43Å; L862-S866 PolarHBondContact O-N 2.94Å; L862-L867 CarbonylContact C-O 3.55Å; L862-L867 HydrophobicContact CD2-CB 4.48Å; L862-L867 PolarHBondContact O-N 2.76Å; L862-L867 VanDerWaalsContact O-O 3.05Å; L862-L887 HydrophobicContact CD1-CD1 3.6Å; L862-F890 HydrophobicContact CD1-CE1 3.89Å; L862-F890 HydrophobicContact CD2-CD1 4.43Å; L862-F890 HydrophobicContact CD2-CE1 3.71Å; L862-F890 HydrophobicContact CG-CE1 4.42Å
863	H	93.6	Very high	92.2	Very high	21 Å²	21	28.2 Å²	28.2	10%	0.097	14%	0.138	C	C	.	.	H	α-helix	trans	-66.9	-38.1	-177.9	-69.8	-174.2	0	0	0	111.8	V859 A860 Y861 H865 S866 L867 M896 H989 D992	V859-H863 WeakPolarHBondContact CG1-CE1 3.3Å; V859-H863 WeakPolarHBondContact CG1-NE2 3.43Å; V859-H863 WeakPolarHBondContact O-CB 3.36Å; V859-H863 PolarHBondContact O-CD2 3.06Å; V859-H863 VanDerWaalsContact O-CD2 3.31Å; V859-H863 PolarHBondContact O-N 3.02Å; A860-H863 PolarHBondContact O-N 3.46Å; Y861-H863 VanDerWaalsContact C-N 3.34Å; H863-H865 VanDerWaalsContact C-N 3.35Å; H863-S866 WeakPolarHBondContact O-CA 3.33Å; H863-S866 PolarHBondContact O-N 3.26Å; H863-L867 PolarHBondContact CD2-O 3.47Å; H863-M896 VanDerWaalsContact CA-CE 3.49Å; H863-M896 HydrophobicContact CB-CE 3.93Å; H863-M896 WeakPolarHBondContact O-CE 3.49Å; H863-H989 AromaticContact CE1-CD2 3.79Å; H863-H989 PolarHBondContact CE1-O 2.95Å; H863-H989 VanDerWaalsContact CE1-O 3.31Å; H863-H989 AromaticContact ND1-CD2 3.49Å; H863-H989 PolarHBondContact ND1-CD2 3.48Å; H863-D992 IonicContact CD2-OD2 2.78Å; H863-D992 IonicContact CE1-OD2 2.72Å; H863-D992 IonicContact NE2-OD2 3.23Å; H863-D992 PolarHBondContact NE2-OD2 2.86Å
864	D	92	Very high	92.1	Very high	132 Å²	132	24.4 Å²	24.4	71%	0.706	12%	0.123	S	C	*	.	H	α-helix	trans	-61.8	-40.5	172.1	-167.6	55.6	0	0	0	111.9	A860 Y861 S866	A860-D864 WeakPolarHBondContact O-CB 3.34Å; A860-D864 PolarHBondContact O-N 2.92Å; Y861-D864 PolarHBondContact O-N 2.59Å; D864-S866 PolarHBondContact O-N 2.87Å
865	H	88.1	Confident	91.8	Very high	69 Å²	69	24.9 Å²	24.9	32%	0.319	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	8.9	172.2	-71.3	67.9	0	0	0	113.7	L680 Y861 L862 H863 L867	L680-H865 HydrophobicContact CD2-CB 4.2Å; Y861-H865 AromaticContact CD1-ND1 3.98Å; Y861-H865 AromaticContact CD2-CE1 3.87Å; Y861-H865 AromaticContact CE1-CE1 3.79Å; Y861-H865 AromaticContact CE1-ND1 3.84Å; Y861-H865 AromaticContact CE2-CE1 3.33Å; Y861-H865 WeakPolarHBondContact CE2-CE1 3.46Å; Y861-H865 AromaticContact CE2-ND1 3.96Å; Y861-H865 AromaticContact CZ-CE1 3.29Å; Y861-H865 AromaticContact CZ-ND1 3.81Å; Y861-H865 AromaticContact CZ-NE2 3.76Å; Y861-H865 PolarHBondContact O-N 3.38Å; Y861-H865 VanDerWaalsContact O-N 3.13Å; Y861-H865 PolarHBondContact O-ND1 2.6Å; L862-H865 CarbonylContact O-C 3.38Å; L862-H865 PolarHBondContact O-N 3.43Å; H863-H865 VanDerWaalsContact C-N 3.35Å; H865-L867 HydrophobicContact CB-CD1 4.4Å; H865-L867 PolarHBondContact O-N 2.91Å
866	S	85.5	Confident	91.5	Very high	47 Å²	47	25.4 Å²	25.4	33%	0.329	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	34.3	-177.7	-61.6	0	0	0	0	113.5	L862 H863 D864 S895 M896	L862-S866 PolarHBondContact O-N 2.94Å; H863-S866 WeakPolarHBondContact O-CA 3.33Å; H863-S866 PolarHBondContact O-N 3.26Å; D864-S866 PolarHBondContact O-N 2.87Å; S866-S895 CarbonylContact O-C 3.54Å; S866-S895 VanDerWaalsContact O-CA 3.28Å; S866-S895 WeakPolarHBondContact O-CA 3.5Å; S866-M896 PolarHBondContact O-N 3.29Å
867	L	86	Confident	91.4	Very high	15 Å²	15	25.5 Å²	25.5	8%	0.079	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	153.9	175.7	-64	172.9	0	0	0	110.7	A676 L680 L862 H863 H865 V893 M896	A676-L867 HydrophobicContact CB-CD1 3.85Å; A676-L867 HydrophobicContact CB-CD2 4.22Å; L680-L867 HydrophobicContact CD1-CD1 4.19Å; L680-L867 HydrophobicContact CD2-CD1 4.17Å; L680-L867 HydrophobicContact CG-CD1 4.4Å; L862-L867 CarbonylContact C-O 3.55Å; L862-L867 HydrophobicContact CD2-CB 4.48Å; L862-L867 PolarHBondContact O-N 2.76Å; L862-L867 VanDerWaalsContact O-O 3.05Å; H863-L867 PolarHBondContact CD2-O 3.47Å; H865-L867 HydrophobicContact CB-CD1 4.4Å; H865-L867 PolarHBondContact O-N 2.91Å; L867-V893 HydrophobicContact CB-CG1 4.01Å; L867-V893 HydrophobicContact CD1-CG1 4.33Å; L867-V893 HydrophobicContact CD2-CG1 4Å; L867-V893 HydrophobicContact CG-CG1 4.34Å; L867-M896 WeakPolarHBondContact O-CE 3.46Å
868	M	86.4	Confident	91.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.7	173.4	49.8	168.1	136.4	0	0	110.9	R870 V893 T894 Y987 H989 D992	M868-R870 HydrophobicContact CB-CG 4.47Å; M868-R870 HydrophobicContact CG-CG 3.98Å; M868-R870 HydrophobicContact SD-CG 3.9Å; M868-R870 PolarHBondContact SD-NE 3.18Å; M868-V893 WeakPolarHBondContact O-CA 3.27Å; M868-V893 WeakPolarHBondContact O-CG2 3.37Å; M868-T894 PolarHBondContact N-O 2.98Å; M868-Y987 HydrophobicContact SD-CD2 4.15Å; M868-Y987 HydrophobicContact SD-CE2 3.99Å; M868-H989 HydrophobicContact CB-CB 4.2Å; M868-D992 WeakPolarHBondContact CA-OD2 3.48Å; M868-D992 WeakPolarHBondContact CB-OD2 3.29Å
869	H	88.8	Confident	91.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.			trans	-80.4	-40.8	-171.4	-157.7	-70.7	0	0	0	113.1	D871 L872 A888 F890 D992	H869-D871 PolarHBondContact CE1-O 2.84Å; H869-D871 PolarHBondContact ND1-O 3.41Å; H869-D871 PolarHBondContact O-N 2.86Å; H869-L872 HydrophobicContact CB-CD1 3.86Å; H869-L872 HydrophobicContact CB-CG 3.92Å; H869-A888 PolarHBondContact CE1-O 2.88Å; H869-A888 PolarHBondContact NE2-O 2.9Å; H869-F890 AromaticContact CD2-CE1 3.85Å; H869-D992 WeakPolarHBondContact CB-OD1 3.49Å; H869-D992 PolarHBondContact N-OD1 2.88Å; H869-D992 PolarHBondContact N-OD2 3.16Å
870	R	86.5	Confident	90.8	Very high	36 Å²	36	27 Å²	27	14%	0.136	14%	0.143	C	C	.	.	S	Bend	trans	65.5	-31.8	176.7	-58	171.5	165.4	-167.1	-14.1	116.7	M868 L892 T894 D899 Q981 Y987 V991 D992	M868-R870 HydrophobicContact CB-CG 4.47Å; M868-R870 HydrophobicContact CG-CG 3.98Å; M868-R870 HydrophobicContact SD-CG 3.9Å; M868-R870 PolarHBondContact SD-NE 3.18Å; R870-L892 HydrophobicContact CB-CB 4.12Å; R870-L892 WeakPolarHBondContact CD-O 3.39Å; R870-T894 VanDerWaalsContact CZ-CB 3.49Å; R870-T894 VanDerWaalsContact NH1-CB 3.34Å; R870-T894 PolarHBondContact NH1-OG1 2.04Å; R870-D899 IonicContact NH2-OD2 3.62Å; R870-Q981 PolarHBondContact O-NE2 3.01Å; R870-Y987 HydrophobicContact CG-CE2 3.96Å; R870-Y987 PolarHBondContact NE-OH 2.73Å; R870-V991 HydrophobicContact CG-CG2 4.34Å; R870-D992 PolarHBondContact N-OD1 2.82Å
871	D	87.5	Confident	90.4	Very high	15 Å²	15	32.6 Å²	32.6	8%	0.08	17%	0.17	C	C	.	.			trans	-114.7	63	171.7	-170.6	30.2	0	0	0	110.9	H869 K873 N876 L892	H869-D871 PolarHBondContact CE1-O 2.84Å; H869-D871 PolarHBondContact ND1-O 3.41Å; H869-D871 PolarHBondContact O-N 2.86Å; D871-K873 WeakPolarHBondContact OD1-CD 3.37Å; D871-K873 VanDerWaalsContact OD1-CE 3.31Å; D871-K873 WeakPolarHBondContact OD1-CE 3.42Å; D871-K873 IonicContact OD1-NZ 3.53Å; D871-K873 PolarHBondContact OD1-NZ 3.24Å; D871-K873 VanDerWaalsContact OD2-CE 3.28Å; D871-K873 WeakPolarHBondContact OD2-CE 3.32Å; D871-K873 IonicContact OD2-NZ 2.76Å; D871-K873 PolarHBondContact OD2-NZ 2.88Å; D871-N876 VanDerWaalsContact CG-ND2 3.31Å; D871-N876 PolarHBondContact O-ND2 2.8Å; D871-N876 PolarHBondContact OD2-ND2 3.12Å; D871-L892 HydrophobicContact CB-CD1 4.03Å
872	L	92	Very high	90	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.192	C	C	.	.			trans	-88.8	107.7	178.1	-111.3	163.6	0	0	0	110.2	I855 V859 H869 I877 L887 Y976 D992 S995 I999	I855-L872 HydrophobicContact CG2-CD2 4.5Å; V859-L872 HydrophobicContact CG2-CD1 3.67Å; H869-L872 HydrophobicContact CB-CD1 3.86Å; H869-L872 HydrophobicContact CB-CG 3.92Å; L872-I877 HydrophobicContact CD2-CD1 4.19Å; L872-L887 HydrophobicContact CD2-CD2 3.87Å; L872-Y976 WeakPolarHBondContact O-CB 3.42Å; L872-D992 HydrophobicContact CD1-CB 3.61Å; L872-S995 WeakPolarHBondContact O-CB 3.47Å; L872-I999 HydrophobicContact CB-CD1 4.48Å; L872-I999 HydrophobicContact CD2-CD1 4.12Å
873	K	92.6	Very high	89.7	Confident	27 Å²	27	41.4 Å²	41.4	12%	0.117	22%	0.224	C	C	.	.			trans	-151.6	156.2	-180	54.8	179.6	-179.6	-130.5	0	110.9	D871 S875 N876 T973 Y976	D871-K873 WeakPolarHBondContact OD1-CD 3.37Å; D871-K873 VanDerWaalsContact OD1-CE 3.31Å; D871-K873 WeakPolarHBondContact OD1-CE 3.42Å; D871-K873 IonicContact OD1-NZ 3.53Å; D871-K873 PolarHBondContact OD1-NZ 3.24Å; D871-K873 VanDerWaalsContact OD2-CE 3.28Å; D871-K873 WeakPolarHBondContact OD2-CE 3.32Å; D871-K873 IonicContact OD2-NZ 2.76Å; D871-K873 PolarHBondContact OD2-NZ 2.88Å; K873-S875 WeakPolarHBondContact CD-OG 3.38Å; K873-S875 VanDerWaalsContact CE-OG 3.31Å; K873-S875 WeakPolarHBondContact CE-OG 3.03Å; K873-S875 WeakPolarHBondContact CG-OG 3.32Å; K873-S875 PolarHBondContact O-N 3.15Å; K873-S875 VanDerWaalsContact O-N 3.08Å; K873-N876 VanDerWaalsContact CE-OD1 3.24Å; K873-N876 WeakPolarHBondContact CE-OD1 3.2Å; K873-N876 HydrophobicContact CG-CB 4.22Å; K873-N876 WeakPolarHBondContact O-CA 3.49Å; K873-N876 WeakPolarHBondContact O-CB 3.34Å; K873-N876 PolarHBondContact O-N 2.79Å; K873-T973 PolarHBondContact NZ-OG1 2.92Å; K873-Y976 HydrophobicContact CB-CD2 3.43Å; K873-Y976 VanDerWaalsContact CB-CD2 3.43Å; K873-Y976 HydrophobicContact CB-CE2 3.75Å; K873-Y976 HydrophobicContact CB-CG 3.86Å
874	P	94.1	Very high	89.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-62.4	-17.1	-174.5	-25.5	35.8	0	0	0	116.2	L829 R830 L833 N876 Y976 I999 E1002	L829-P874 CarbonylContact C-O 3.57Å; L829-P874 WeakPolarHBondContact CA-O 3.06Å; L829-P874 HydrophobicContact CB-CB 4.01Å; L829-P874 WeakPolarHBondContact CB-O 3.42Å; L829-P874 HydrophobicContact CD2-CB 4.31Å; L829-P874 HydrophobicContact CG-CB 4.11Å; L829-P874 PolarHBondContact N-O 3.4Å; L829-P874 VanDerWaalsContact N-O 3.11Å; R830-P874 HydrophobicContact CB-CB 4.02Å; R830-P874 PolarHBondContact N-O 2.79Å; L833-P874 HydrophobicContact CD1-CB 3.82Å; L833-P874 HydrophobicContact CD1-CG 3.95Å; P874-N876 VanDerWaalsContact C-N 3.3Å; P874-Y976 VanDerWaalsContact CD-OH 3.3Å; P874-Y976 WeakPolarHBondContact CD-OH 3.35Å; P874-Y976 HydrophobicContact CG-CE1 4.13Å; P874-I999 HydrophobicContact CG-CG1 4.2Å; P874-E1002 WeakPolarHBondContact CG-OE2 3.29Å
875	S	88.7	Confident	89.8	Confident	52 Å²	52	39 Å²	39	36%	0.364	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-69.8	-30.1	169.5	55.4	0	0	0	0	112.4	K873 I877	K873-S875 WeakPolarHBondContact CD-OG 3.38Å; K873-S875 VanDerWaalsContact CE-OG 3.31Å; K873-S875 WeakPolarHBondContact CE-OG 3.03Å; K873-S875 WeakPolarHBondContact CG-OG 3.32Å; K873-S875 PolarHBondContact O-N 3.15Å; K873-S875 VanDerWaalsContact O-N 3.08Å; S875-I877 VanDerWaalsContact C-N 3.28Å; S875-I877 PolarHBondContact O-N 3.39Å
876	N	91.8	Very high	90.1	Very high	14 Å²	14	36.2 Å²	36.2	8%	0.075	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-93	11.3	-176.5	-59.3	14.5	0	0	0	111.5	D871 K873 P874 A888	D871-N876 VanDerWaalsContact CG-ND2 3.31Å; D871-N876 PolarHBondContact O-ND2 2.8Å; D871-N876 PolarHBondContact OD2-ND2 3.12Å; K873-N876 VanDerWaalsContact CE-OD1 3.24Å; K873-N876 WeakPolarHBondContact CE-OD1 3.2Å; K873-N876 HydrophobicContact CG-CB 4.22Å; K873-N876 WeakPolarHBondContact O-CA 3.49Å; K873-N876 WeakPolarHBondContact O-CB 3.34Å; K873-N876 PolarHBondContact O-N 2.79Å; P874-N876 VanDerWaalsContact C-N 3.3Å; N876-A888 PolarHBondContact O-N 3.05Å
877	I	94.1	Very high	90.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.9	174.5	-53.6	178.6	0	0	0	106.5	S828 L829 I855 L872 S875 L885 K886 L887 I999	S828-I877 CarbonylContact C-O 3.4Å; S828-I877 WeakPolarHBondContact CA-O 3.22Å; L829-I877 HydrophobicContact CB-CB 4.02Å; L829-I877 HydrophobicContact CB-CG2 4.25Å; L829-I877 HydrophobicContact CD2-CB 4.35Å; L829-I877 HydrophobicContact CD2-CD1 4.14Å; L829-I877 HydrophobicContact CD2-CG2 4.26Å; L829-I877 PolarHBondContact N-O 2.84Å; I855-I877 HydrophobicContact CD1-CD1 3.92Å; I855-I877 HydrophobicContact CG1-CD1 4.25Å; I855-I877 HydrophobicContact CG1-CG2 4.41Å; I855-I877 HydrophobicContact CG2-CD1 3.78Å; L872-I877 HydrophobicContact CD2-CD1 4.19Å; S875-I877 VanDerWaalsContact C-N 3.28Å; S875-I877 PolarHBondContact O-N 3.39Å; I877-L885 HydrophobicContact CG2-CB 4.31Å; I877-L885 HydrophobicContact CG2-CD2 3.97Å; I877-K886 CarbonylContact C-O 3.57Å; I877-K886 WeakPolarHBondContact CA-O 3.35Å; I877-L887 HydrophobicContact CD1-CD2 4.26Å; I877-L887 HydrophobicContact CG1-CD2 3.92Å; I877-I999 HydrophobicContact CD1-CD1 4.09Å
878	L	94.3	Very high	90.6	Very high	42 Å²	42	33.9 Å²	33.9	22%	0.22	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	162	-176.2	-55.8	-177.8	0	0	0	110.6	C824 L885 K886 A888	C824-L878 HydrophobicContact CB-CB 4.04Å; C824-L878 HydrophobicContact CB-CD1 3.97Å; L878-L885 CarbonylContact O-C 3.57Å; L878-L885 WeakPolarHBondContact O-CA 3.37Å; L878-K886 PolarHBondContact N-O 2.87Å; L878-K886 PolarHBondContact O-N 3.4Å; L878-A888 HydrophobicContact CD1-CB 3.84Å; L878-A888 HydrophobicContact CG-CB 3.92Å
879	F	92.9	Very high	90.2	Very high	16 Å²	16	36.3 Å²	36.3	7%	0.07	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.6	165.7	-63.9	-97.8	0	0	0	109.3	C824 S825 L829 W832 M851 N883 R884 L885	C824-F879 WeakPolarHBondContact CB-O 3.35Å; S825-F879 WeakPolarHBondContact CB-O 3.26Å; S825-F879 PolarHBondContact N-O 3.15Å; L829-F879 HydrophobicContact CD1-CE2 4.4Å; L829-F879 HydrophobicContact CD1-CZ 4.09Å; W832-F879 HydrophobicContact CB-CE2 3.58Å; W832-F879 HydrophobicContact CB-CZ 3.84Å; W832-F879 AromaticContact CD1-CE2 3.87Å; W832-F879 AromaticContact CD1-CZ 3.46Å; W832-F879 VanDerWaalsContact CD1-CZ 3.46Å; W832-F879 HydrophobicContact CD2-CZ 4.07Å; W832-F879 AromaticContact CG-CE2 3.79Å; W832-F879 HydrophobicContact CG-CE2 3.79Å; W832-F879 AromaticContact CG-CZ 3.52Å; W832-F879 HydrophobicContact CG-CZ 3.52Å; W832-F879 AromaticContact NE1-CZ 3.97Å; M851-F879 HydrophobicContact CE-CE1 4.22Å; M851-F879 HydrophobicContact CE-CZ 4.04Å; F879-N883 HydrophobicContact CD1-CB 4.49Å; F879-R884 CarbonylContact C-O 3.58Å; F879-R884 WeakPolarHBondContact CA-O 3.33Å; F879-L885 HydrophobicContact CD1-CD2 3.82Å; F879-L885 HydrophobicContact CD1-CG 4.48Å; F879-L885 HydrophobicContact CD2-CD2 4.28Å; F879-L885 HydrophobicContact CE1-CD2 3.52Å; F879-L885 HydrophobicContact CE1-CG 4.22Å; F879-L885 HydrophobicContact CE2-CD2 4Å; F879-L885 HydrophobicContact CG-CD2 4.2Å; F879-L885 HydrophobicContact CZ-CD2 3.61Å
880	D	89.9	Confident	89.4	Confident	13 Å²	13	36.6 Å²	36.6	7%	0.07	19%	0.191	C	C	.	.			trans	-77.1	178.3	165.7	74.6	18	0	0	0	111.9	T882 N883 R884 K886	D880-T882 PolarHBondContact O-N 3.28Å; D880-T882 VanDerWaalsContact OD1-CA 3.3Å; D880-T882 WeakPolarHBondContact OD1-CA 3.28Å; D880-T882 WeakPolarHBondContact OD1-CB 3.31Å; D880-T882 PolarHBondContact OD1-N 2.85Å; D880-T882 PolarHBondContact OD1-OG1 2.92Å; D880-N883 PolarHBondContact O-N 3.21Å; D880-N883 PolarHBondContact OD1-N 3.32Å; D880-R884 PolarHBondContact N-O 2.04Å; D880-R884 PolarHBondContact OD1-N 3.18Å; D880-R884 VanDerWaalsContact OD1-N 3.1Å; D880-K886 HydrophobicContact CB-CD 3.9Å; D880-K886 HydrophobicContact CB-CG 4.5Å; D880-K886 WeakPolarHBondContact OD2-CE 3.47Å
881	L	85.8	Confident	88.1	Confident	132 Å²	132	35.6 Å²	35.6	69%	0.691	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-2.4	-179.2	-54.8	-179.3	0	0	0	113.9
882	T	87.3	Confident	86.6	Confident	107 Å²	107	38 Å²	38	66%	0.656	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.1	6.9	172.8	72	0	0	0	0	112.9	D880 R884	D880-T882 PolarHBondContact O-N 3.28Å; D880-T882 VanDerWaalsContact OD1-CA 3.3Å; D880-T882 WeakPolarHBondContact OD1-CA 3.28Å; D880-T882 WeakPolarHBondContact OD1-CB 3.31Å; D880-T882 PolarHBondContact OD1-N 2.85Å; D880-T882 PolarHBondContact OD1-OG1 2.92Å; T882-R884 VanDerWaalsContact C-N 3.29Å; T882-R884 PolarHBondContact O-N 3.49Å
883	N	86.5	Confident	85.1	Confident	127 Å²	127	38.2 Å²	38.2	68%	0.679	21%	0.206	S	C	*	.	S	Bend	trans	64.4	20.5	-173.1	-53.6	-48.2	0	0	0	115.2	F879 D880	F879-N883 HydrophobicContact CD1-CB 4.49Å; D880-N883 PolarHBondContact O-N 3.21Å; D880-N883 PolarHBondContact OD1-N 3.32Å
884	R	92.1	Very high	83.4	Confident	99 Å²	99	37.3 Å²	37.3	37%	0.374	20%	0.203	S	C	.	.			trans	-80.1	142.1	167.7	176.6	-177.3	-74.5	-99.6	1.1	109.9	F879 D880 T882	F879-R884 CarbonylContact C-O 3.58Å; F879-R884 WeakPolarHBondContact CA-O 3.33Å; D880-R884 PolarHBondContact N-O 2.04Å; D880-R884 PolarHBondContact OD1-N 3.18Å; D880-R884 VanDerWaalsContact OD1-N 3.1Å; T882-R884 VanDerWaalsContact C-N 3.29Å; T882-R884 PolarHBondContact O-N 3.49Å
885	L	95.1	Very high	81.4	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	141.3	177.3	-68.7	169.4	0	0	0	111.9	L829 M851 Q854 I855 I877 L878 F879	L829-L885 HydrophobicContact CD1-CD2 4.29Å; M851-L885 HydrophobicContact CB-CD1 3.73Å; M851-L885 HydrophobicContact CE-CD1 4.1Å; M851-L885 HydrophobicContact CG-CD1 4.09Å; M851-L885 WeakPolarHBondContact O-CD1 3.44Å; Q854-L885 HydrophobicContact CB-CB 4.29Å; I855-L885 HydrophobicContact CD1-CD1 4.22Å; I855-L885 HydrophobicContact CG1-CD1 4.01Å; I877-L885 HydrophobicContact CG2-CB 4.31Å; I877-L885 HydrophobicContact CG2-CD2 3.97Å; L878-L885 CarbonylContact O-C 3.57Å; L878-L885 WeakPolarHBondContact O-CA 3.37Å; F879-L885 HydrophobicContact CD1-CD2 3.82Å; F879-L885 HydrophobicContact CD1-CG 4.48Å; F879-L885 HydrophobicContact CD2-CD2 4.28Å; F879-L885 HydrophobicContact CE1-CD2 3.52Å; F879-L885 HydrophobicContact CE1-CG 4.22Å; F879-L885 HydrophobicContact CE2-CD2 4Å; F879-L885 HydrophobicContact CG-CD2 4.2Å; F879-L885 HydrophobicContact CZ-CD2 3.61Å
886	K	94.1	Very high	80	Confident	12 Å²	12	37.7 Å²	37.7	5%	0.052	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	135.1	177.2	-71.9	-176.1	172.8	-68.1	0	112.2	P683 G684 I685 V686 Q822 I877 L878 D880	P683-K886 PolarHBondContact O-NZ 2.76Å; G684-K886 CarbonylContact O-C 3.52Å; G684-K886 VanDerWaalsContact O-CA 3.32Å; G684-K886 WeakPolarHBondContact O-CA 3.3Å; I685-K886 WeakPolarHBondContact O-CD 3.18Å; I685-K886 PolarHBondContact O-NZ 2.8Å; V686-K886 HydrophobicContact CG2-CB 3.97Å; V686-K886 HydrophobicContact CG2-CD 4.29Å; Q822-K886 VanDerWaalsContact OE1-CE 3.23Å; I877-K886 CarbonylContact C-O 3.57Å; I877-K886 WeakPolarHBondContact CA-O 3.35Å; L878-K886 PolarHBondContact N-O 2.87Å; L878-K886 PolarHBondContact O-N 3.4Å; D880-K886 HydrophobicContact CB-CD 3.9Å; D880-K886 HydrophobicContact CB-CG 4.5Å; D880-K886 WeakPolarHBondContact OD2-CE 3.47Å
887	L	93.4	Very high	78	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	138.4	168.2	-59.2	-175.9	0	0	0	111	G684 V686 I855 A858 V859 L862 L872 I877 F890	G684-L887 PolarHBondContact O-N 2.78Å; V686-L887 WeakPolarHBondContact CG2-O 3.34Å; V686-L887 PolarHBondContact N-O 3.26Å; I855-L887 HydrophobicContact CG2-CD2 3.96Å; A858-L887 HydrophobicContact CB-CD1 3.52Å; A858-L887 HydrophobicContact CB-CG 3.69Å; V859-L887 HydrophobicContact CG2-CD1 3.91Å; L862-L887 HydrophobicContact CD1-CD1 3.6Å; L872-L887 HydrophobicContact CD2-CD2 3.87Å; I877-L887 HydrophobicContact CD1-CD2 4.26Å; I877-L887 HydrophobicContact CG1-CD2 3.92Å; L887-F890 HydrophobicContact CB-CZ 3.93Å; L887-F890 WeakPolarHBondContact O-CE2 3.01Å
888	A	88.2	Confident	75.8	Confident	11 Å²	11	43.9 Å²	43.9	9%	0.091	24%	0.235	C	C	.	.			trans	-141.2	168.3	-175.5	0	0	0	0	0	112.1	V686 H869 N876 L878	V686-A888 HydrophobicContact CG2-CB 3.83Å; H869-A888 PolarHBondContact CE1-O 2.88Å; H869-A888 PolarHBondContact NE2-O 2.9Å; N876-A888 PolarHBondContact O-N 3.05Å; L878-A888 HydrophobicContact CD1-CB 3.84Å; L878-A888 HydrophobicContact CG-CB 3.92Å
889	D	79.2	Confident	73.3	Confident	52 Å²	52	43.2 Å²	43.2	28%	0.278	23%	0.231	S	C	.	.			trans	53.2	73.9	-177.6	-154.2	14.3	0	0	0	115.6	F638 K656 G891	F638-D889 WeakPolarHBondContact CD2-OD2 3.47Å; K656-D889 IonicContact NZ-OD1 3.29Å; K656-D889 PolarHBondContact NZ-OD1 3.35Å; D889-G891 PolarHBondContact O-N 3.07Å
890	F	71.7	Confident	70.6	Confident	7 Å²	7	49.6 Å²	49.6	3%	0.031	26%	0.259	C	S	.	.			trans	-77.7	21.4	-176.6	-70.9	-97.5	0	0	0	114.1	L677 L680 I685 L862 H869 L887 L892 V893	L677-F890 HydrophobicContact CD2-CB 3.91Å; L677-F890 HydrophobicContact CD2-CD1 4.44Å; L677-F890 HydrophobicContact CD2-CD2 3.52Å; L677-F890 HydrophobicContact CD2-CE2 4.2Å; L677-F890 HydrophobicContact CD2-CG 3.68Å; L677-F890 HydrophobicContact CG-CB 4.22Å; L677-F890 HydrophobicContact CG-CG 4.49Å; L680-F890 HydrophobicContact CD1-CD1 4.5Å; L680-F890 HydrophobicContact CD1-CE1 4.3Å; I685-F890 HydrophobicContact CG1-CZ 4.48Å; I685-F890 HydrophobicContact CG2-CE2 4.09Å; I685-F890 HydrophobicContact CG2-CZ 3.75Å; L862-F890 HydrophobicContact CD1-CE1 3.89Å; L862-F890 HydrophobicContact CD2-CD1 4.43Å; L862-F890 HydrophobicContact CD2-CE1 3.71Å; L862-F890 HydrophobicContact CG-CE1 4.42Å; H869-F890 AromaticContact CD2-CE1 3.85Å; L887-F890 HydrophobicContact CB-CZ 3.93Å; L887-F890 WeakPolarHBondContact O-CE2 3.01Å; F890-L892 PolarHBondContact O-N 3.47Å; F890-V893 HydrophobicContact CB-CB 4.34Å; F890-V893 HydrophobicContact CB-CG2 3.87Å; F890-V893 HydrophobicContact CD1-CB 4.44Å; F890-V893 HydrophobicContact CD1-CG2 3.59Å; F890-V893 HydrophobicContact CG-CG2 4.18Å; F890-V893 WeakPolarHBondContact O-CB 3.25Å; F890-V893 WeakPolarHBondContact O-CG2 3.09Å; F890-V893 PolarHBondContact O-N 2.98Å
891	G	59	Low	68	Low	15 Å²	15	53.4 Å²	53.4	16%	0.155	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.8	-166.7	0	0	0	0	0	116.7	D889	D889-G891 PolarHBondContact O-N 3.07Å
892	L	56.8	Low	65.4	Low	66 Å²	66	51.9 Å²	51.9	35%	0.346	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-3.5	175.8	-59.3	-170.9	0	0	0	114.1	F638 R870 D871 F890 T894	F638-L892 HydrophobicContact CE1-CD2 4.42Å; F638-L892 HydrophobicContact CZ-CD2 4.26Å; R870-L892 HydrophobicContact CB-CB 4.12Å; R870-L892 WeakPolarHBondContact CD-O 3.39Å; D871-L892 HydrophobicContact CB-CD1 4.03Å; F890-L892 PolarHBondContact O-N 3.47Å; L892-T894 PolarHBondContact O-N 2.77Å; L892-T894 PolarHBondContact O-OG1 3.49Å
893	V	60	Low	62.9	Low	4 Å²	4	52.9 Å²	52.9	2%	0.024	27%	0.269	C	S	.	.			trans	-63.7	134.6	-167.4	169.1	0	0	0	0	112.2	R672 A676 L867 M868 F890	R672-V893 WeakPolarHBondContact CD-O 3.41Å; A676-V893 HydrophobicContact CB-CG1 4.12Å; L867-V893 HydrophobicContact CB-CG1 4.01Å; L867-V893 HydrophobicContact CD1-CG1 4.33Å; L867-V893 HydrophobicContact CD2-CG1 4Å; L867-V893 HydrophobicContact CG-CG1 4.34Å; M868-V893 WeakPolarHBondContact O-CA 3.27Å; M868-V893 WeakPolarHBondContact O-CG2 3.37Å; F890-V893 HydrophobicContact CB-CB 4.34Å; F890-V893 HydrophobicContact CB-CG2 3.87Å; F890-V893 HydrophobicContact CD1-CB 4.44Å; F890-V893 HydrophobicContact CD1-CG2 3.59Å; F890-V893 HydrophobicContact CG-CG2 4.18Å; F890-V893 WeakPolarHBondContact O-CB 3.25Å; F890-V893 WeakPolarHBondContact O-CG2 3.09Å; F890-V893 PolarHBondContact O-N 2.98Å
894	T	57	Low	60.3	Low	8 Å²	8	49.1 Å²	49.1	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.9	-172.7	-63.5	0	0	0	0	110.5	R672 M868 R870 L892	R672-T894 WeakPolarHBondContact CD-OG1 3.4Å; M868-T894 PolarHBondContact N-O 2.98Å; R870-T894 VanDerWaalsContact CZ-CB 3.49Å; R870-T894 VanDerWaalsContact NH1-CB 3.34Å; R870-T894 PolarHBondContact NH1-OG1 2.04Å; L892-T894 PolarHBondContact O-N 2.77Å; L892-T894 PolarHBondContact O-OG1 3.49Å
895	S	52.4	Low	57.4	Low	31 Å²	31	50 Å²	50	22%	0.217	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	137.6	176.7	-176	0	0	0	0	111.8	S866 I897 D898	S866-S895 CarbonylContact O-C 3.54Å; S866-S895 VanDerWaalsContact O-CA 3.28Å; S866-S895 WeakPolarHBondContact O-CA 3.5Å; S895-I897 PolarHBondContact O-N 3.3Å; S895-I897 VanDerWaalsContact O-N 3.14Å; S895-I897 PolarHBondContact OG-N 3.37Å; S895-D898 PolarHBondContact O-N 3Å
896	M	58.3	Low	54.4	Low	31 Å²	31	55.1 Å²	55.1	15%	0.153	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.3	171.8	-57.2	-176.4	-157.4	0	0	113.6	H863 S866 L867 H989	H863-M896 VanDerWaalsContact CA-CE 3.49Å; H863-M896 HydrophobicContact CB-CE 3.93Å; H863-M896 WeakPolarHBondContact O-CE 3.49Å; S866-M896 PolarHBondContact O-N 3.29Å; L867-M896 WeakPolarHBondContact O-CE 3.46Å; M896-H989 HydrophobicContact CE-CB 3.44Å; M896-H989 VanDerWaalsContact CE-CB 3.44Å; M896-H989 HydrophobicContact SD-CB 3.86Å
897	I	50.8	Low	51.2	Low	91 Å²	91	58.5 Å²	58.5	47%	0.467	33%	0.325	S	S	.	.	H	α-helix	trans	-78.7	-32.3	-177	-56.5	174.6	0	0	0	111.3	S895 D899 K900 L901	S895-I897 PolarHBondContact O-N 3.3Å; S895-I897 VanDerWaalsContact O-N 3.14Å; S895-I897 PolarHBondContact OG-N 3.37Å; I897-D899 PolarHBondContact O-N 3.03Å; I897-D899 VanDerWaalsContact O-N 3.13Å; I897-K900 PolarHBondContact O-N 3.04Å; I897-K900 VanDerWaalsContact O-N 3.12Å; I897-L901 HydrophobicContact CG2-CD1 4.33Å; I897-L901 PolarHBondContact O-N 2.97Å
898	D	46.5	Very low	48.1	Very low	54 Å²	54	67.7 Å²	67.7	29%	0.289	36%	0.362	S	S	.	.	H	α-helix	trans	-61.4	-22.4	179.9	-78.6	-27.6	0	0	0	113	R672 S895 N902 R960	R672-D898 IonicContact CZ-OD2 2.72Å; R672-D898 IonicContact NE-OD2 2.83Å; R672-D898 IonicContact NH2-OD2 3.9Å; R672-D898 PolarHBondContact NH2-OD2 3.46Å; S895-D898 PolarHBondContact O-N 3Å; D898-N902 PolarHBondContact O-ND2 2.95Å; D898-R960 PolarHBondContact O-NH2 3.12Å
899	D	42.8	Very low	45.3	Very low	27 Å²	27	74.6 Å²	74.6	14%	0.144	40%	0.395	C	S	.	.	H	α-helix	trans	-95.7	-24.5	178.4	-61.4	-50.1	0	0	0	112.6	R870 I897 Q903 R960	R870-D899 IonicContact NH2-OD2 3.62Å; I897-D899 PolarHBondContact O-N 3.03Å; I897-D899 VanDerWaalsContact O-N 3.13Å; D899-Q903 WeakPolarHBondContact O-CG 3.46Å; D899-R960 IonicContact OD1-CZ 2.68Å; D899-R960 IonicContact OD1-NE 3.33Å; D899-R960 IonicContact OD1-NH2 3.16Å; D899-R960 PolarHBondContact OD1-NH2 3.02Å
900	K	35.5	Very low	42.9	Very low	151 Å²	151	78.5 Å²	78.5	66%	0.657	42%	0.416	S	S	*	.	H	α-helix	trans	-71.7	-43.2	175.4	-76.2	-174.7	177.7	177.6	0	112.9	I897 N902 Q903 S904	I897-K900 PolarHBondContact O-N 3.04Å; I897-K900 VanDerWaalsContact O-N 3.12Å; K900-N902 PolarHBondContact O-N 3.18Å; K900-Q903 PolarHBondContact O-N 2.91Å; K900-S904 PolarHBondContact O-N 2.94Å; K900-S904 VanDerWaalsContact O-N 3.13Å
901	L	35.6	Very low	40.9	Very low	93 Å²	93	83.2 Å²	83.2	49%	0.487	45%	0.449	S	S	.	.	H	α-helix	trans	-60.9	-36.7	176.6	-69.6	167.4	0	0	0	111.6	I897 Q903 S904 D905	I897-L901 HydrophobicContact CG2-CD1 4.33Å; I897-L901 PolarHBondContact O-N 2.97Å; L901-Q903 PolarHBondContact O-N 3.41Å; L901-S904 WeakPolarHBondContact CA-OG 3.23Å; L901-S904 PolarHBondContact O-N 3.18Å; L901-S904 PolarHBondContact O-OG 2.95Å; L901-D905 WeakPolarHBondContact O-CB 3.27Å; L901-D905 PolarHBondContact O-N 2.87Å
902	N	31.3	Very low	39.7	Very low	100 Å²	100	88.3 Å²	88.3	54%	0.535	47%	0.472	S	S	.	.	H	α-helix	trans	-74.6	-3.1	176.5	-74.8	-91.7	0	0	0	113.9	D898 K900 R960	D898-N902 PolarHBondContact O-ND2 2.95Å; K900-N902 PolarHBondContact O-N 3.18Å; N902-R960 VanDerWaalsContact CG-NH1 3.25Å; N902-R960 PolarHBondContact ND2-NH1 3.48Å; N902-R960 PolarHBondContact OD1-NH1 3.08Å
903	Q	35.1	Very low	38.6	Very low	127 Å²	127	93.8 Å²	93.8	59%	0.593	49%	0.494	S	S	*	.	H	α-helix	trans	-106.8	-21.5	172.4	-68.1	175.6	17.6	0	0	112.8	D899 K900 L901	D899-Q903 WeakPolarHBondContact O-CG 3.46Å; K900-Q903 PolarHBondContact O-N 2.91Å; L901-Q903 PolarHBondContact O-N 3.41Å
904	S	31.6	Very low	37.1	Very low	48 Å²	48	105.2 Å²	105.2	34%	0.336	54%	0.536	S	S	.	.	H	α-helix	trans	-77.8	-39.4	170.5	50.4	0	0	0	0	112.7	K900 L901 S906 S907	K900-S904 PolarHBondContact O-N 2.94Å; K900-S904 VanDerWaalsContact O-N 3.13Å; L901-S904 WeakPolarHBondContact CA-OG 3.23Å; L901-S904 PolarHBondContact O-N 3.18Å; L901-S904 PolarHBondContact O-OG 2.95Å; S904-S906 PolarHBondContact O-N 2.85Å; S904-S906 VanDerWaalsContact O-N 3.1Å; S904-S907 PolarHBondContact O-N 3.43Å; S904-S907 VanDerWaalsContact O-N 3.17Å; S904-S907 PolarHBondContact O-OG 3.18Å
905	D	30.3	Very low	35.9	Very low	119 Å²	119	108.3 Å²	108.3	64%	0.636	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-2	-164.1	-65.3	8.1	0	0	0	113.6	L901 S907	L901-D905 WeakPolarHBondContact O-CB 3.27Å; L901-D905 PolarHBondContact O-N 2.87Å; D905-S907 VanDerWaalsContact C-N 3.32Å
906	S	32	Very low	34.8	Very low	110 Å²	110	114.7 Å²	114.7	77%	0.769	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	3.9	169.9	64.6	0	0	0	0	114.4	S904	S904-S906 PolarHBondContact O-N 2.85Å; S904-S906 VanDerWaalsContact O-N 3.1Å
907	S	28.3	Very low	33.6	Very low	82 Å²	82	120.6 Å²	120.6	57%	0.573	62%	0.624	S	S	*	*	S	Bend	trans	-126.9	-5.5	-172.9	65.9	0	0	0	0	116.4	S904 D905	S904-S907 PolarHBondContact O-N 3.43Å; S904-S907 VanDerWaalsContact O-N 3.17Å; S904-S907 PolarHBondContact O-OG 3.18Å; D905-S907 VanDerWaalsContact C-N 3.32Å
908	Y	27.9	Very low	32.6	Very low	195 Å²	195	121.3 Å²	121.3	77%	0.765	64%	0.636	S	S	*	*			trans	-120.2	94.2	-177.9	-81.2	-84.1	0	0	0	113.7
909	I	30.2	Very low	31.8	Very low	155 Å²	155	123.6 Å²	123.6	80%	0.795	66%	0.657	S	S	*	*			trans	-103.4	132.5	159.5	-69.9	177.1	0	0	0	108.4
910	N	28.8	Very low	30.8	Very low	135 Å²	135	128.3 Å²	128.3	72%	0.722	69%	0.691	S	S	*	*			trans	68.5	149.4	-175.8	-65.7	-39.4	0	0	0	115.2
911	C	29.1	Very low	30.4	Very low	105 Å²	105	125.9 Å²	125.9	71%	0.709	69%	0.693	S	S	*	*			cis	-145.1	141.5	15.7	-146.5	0	0	0	0	115.3
912	N	34.5	Very low	29.9	Very low	122 Å²	122	126.9 Å²	126.9	65%	0.652	71%	0.707	S	S	*	*			trans	24	112.6	152	-71.9	-56.9	0	0	0	122.9
913	K	32.1	Very low	29.7	Very low	182 Å²	182	128.3 Å²	128.3	79%	0.791	72%	0.719	S	S	*	*				36.3	116.2	117.8	-60.4	175.5	176.1	173.6	0	119.4
914	R	30	Very low	29.3	Very low	243 Å²	243	127.9 Å²	127.9	92%	0.917	73%	0.726	S	S	*	*				168	123.1	103.5	-92.9	178.1	-176.5	-175.6	1.9	113.2
915	G	30.1	Very low	29.1	Very low	74 Å²	74	131.5 Å²	131.5	76%	0.763	75%	0.746	S	S	*	*			trans	65.1	168.9	160	0	0	0	0	0	117.1
916	E	30.9	Very low	29	Very low	165 Å²	165	133.2 Å²	133.2	77%	0.771	75%	0.753	S	S	*	*			cis	-157	152.3	-20.7	-126.5	-177	-145	0	0	110
917	Q	31.7	Very low	29	Very low	155 Å²	155	133.6 Å²	133.6	72%	0.724	75%	0.751	S	S	*	*			trans	56.2	107.6	157.1	-54.7	-177.4	44.1	0	0	121.1
918	S	30.3	Very low	29.1	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	75%	0.754	S	S	*	*				83	142.3	126.7	70.6	0	0	0	0	123.8
919	S	29.5	Very low	29.2	Very low	103 Å²	103	132.3 Å²	132.3	72%	0.72	75%	0.751	S	S	*	*			trans	55	94	151.5	53.9	0	0	0	0	121.2
920	C	21.4	Very low	29.4	Very low	126 Å²	126	133.3 Å²	133.3	85%	0.851	76%	0.757	S	S	*	*				45	139.3	111.4	-155.8	0	0	0	0	121.2
921	S	27.7	Very low	29.4	Very low	100 Å²	100	135.1 Å²	135.1	70%	0.699	77%	0.766	S	S	*	*			trans	121.2	88.2	155	-51	0	0	0	0	116.6
922	S	25.7	Very low	29.5	Very low	114 Å²	114	133.7 Å²	133.7	80%	0.797	77%	0.769	S	S	*	*				68.1	160.3	127.1	-49.2	0	0	0	0	122.8
923	V	27.6	Very low	29.3	Very low	129 Å²	129	136.9 Å²	136.9	78%	0.782	78%	0.78	S	S	*	*			trans	81.6	84.6	158.8	-166.7	0	0	0	0	119.3
924	T	25.7	Very low	29.3	Very low	119 Å²	119	133.6 Å²	133.6	73%	0.73	78%	0.78	S	S	*	*			trans	37.8	116.9	132.7	51.1	0	0	0	0	124.1
925	T	27.3	Very low	29.2	Very low	124 Å²	124	130 Å²	130	76%	0.761	77%	0.774	S	S	*	*				77.9	156.7	123.2	-40.1	0	0	0	0	120.4
926	I	29.3	Very low	29.4	Very low	155 Å²	155	133.3 Å²	133.3	80%	0.795	77%	0.769	S	S	*	*			trans	82.5	128.2	169.1	-53.8	-174.8	0	0	0	114.8
927	V	30.6	Very low	29.5	Very low	118 Å²	118	131.1 Å²	131.1	72%	0.715	76%	0.763	S	S	*	*			cis	-165.7	155.7	-18	108.9	0	0	0	0	111
928	N	30.5	Very low	29.6	Very low	120 Å²	120	129.4 Å²	129.4	64%	0.642	76%	0.759	S	S	*	*			trans	47.8	137.9	158.2	-71.4	46.2	0	0	0	126
929	D	30.4	Very low	29.7	Very low	129 Å²	129	130.4 Å²	130.4	69%	0.69	76%	0.756	S	S	*	*			trans	51.3	123.6	133.5	-46.7	-25.4	0	0	0	123.1
930	L	34	Very low	30	Very low	177 Å²	177	133 Å²	133	93%	0.927	76%	0.761	S	S	*	*				-177.7	159.2	97.8	-93.9	170.9	0	0	0	113.1
931	N	28.4	Very low	30.6	Very low	172 Å²	172	130.5 Å²	130.5	92%	0.92	75%	0.75	S	S	*	*			trans	-90.7	153.4	-178	-77.2	-42.6	0	0	0	114
932	G	32	Very low	30.8	Very low	75 Å²	75	133.4 Å²	133.4	77%	0.773	76%	0.756	S	S	*	*			trans	-162.2	150.8	167.8	0	0	0	0	0	111.7
933	Q	30	Very low	31.2	Very low	189 Å²	189	135.5 Å²	135.5	88%	0.883	76%	0.757	S	S	*	*			trans	-124.2	168.9	-166.7	-63.9	-178.6	-63.9	0	0	114.4
934	S	31.8	Very low	31.4	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	75%	0.751	S	S	*	*			trans	71	164.1	160.7	73.8	0	0	0	0	118.6
935	E	28.5	Very low	31.6	Very low	167 Å²	167	139.8 Å²	139.8	78%	0.78	76%	0.755	S	S	*	*				-168.5	172	-57.8	-119.4	-177.9	157.5	0	0	109.4
936	H	34	Very low	31.8	Very low	144 Å²	144	143.5 Å²	143.5	67%	0.667	76%	0.763	S	S	*	*			trans	72.8	103.9	159.6	-75.9	-35.1	0	0	0	123.1
937	N	32.9	Very low	31.8	Very low	119 Å²	119	143.5 Å²	143.5	64%	0.636	76%	0.764	S	S	*	*				86.5	119.2	110.4	-71.7	16.6	0	0	0	123.9
938	N	34.1	Very low	31.6	Very low	120 Å²	120	148.7 Å²	148.7	64%	0.642	77%	0.772	S	S	*	*				105.3	107.5	119.3	-74.1	7.7	0	0	0	123.3
939	N	33	Very low	31.8	Very low	126 Å²	126	148.6 Å²	148.6	67%	0.674	78%	0.778	S	S	*	*				99.9	143.9	121.4	-64.5	-7.9	0	0	0	122.3
940	N	35.4	Very low	31.5	Very low	156 Å²	156	150.7 Å²	150.7	83%	0.834	79%	0.789	S	S	*	*			trans	78.7	144.3	161.4	-55.7	-27.8	0	0	0	118.1
941	A	33.9	Very low	31.4	Very low	75 Å²	75	151.7 Å²	151.7	62%	0.62	79%	0.786	S	S	*	*			cis	-172	139.5	-13.9	0	0	0	0	0	113
942	I	31	Very low	31.3	Very low	161 Å²	161	150.2 Å²	150.2	83%	0.826	77%	0.773	S	S	*	*			trans	61.4	131.1	149.4	-43.5	155.7	0	0	0	116.5
943	I	34.3	Very low	31.2	Very low	157 Å²	157	155.3 Å²	155.3	81%	0.805	78%	0.781	S	S	*	*				-163.7	144.1	75.6	-75.5	168.9	0	0	0	111.2
944	D	32	Very low	31.2	Very low	122 Å²	122	150 Å²	150	65%	0.652	77%	0.765	S	S	*	*			trans	-5.8	136.9	159.1	-93.4	13.3	0	0	0	120.3
945	R	30.2	Very low	31.1	Very low	216 Å²	216	147 Å²	147	82%	0.815	74%	0.742	S	S	*	*			cis	109.3	113.2	44.3	-90.3	-171.9	-150.7	-136.8	-2.2	111.1
946	Q	32.3	Very low	31.3	Very low	202 Å²	202	142.8 Å²	142.8	94%	0.944	74%	0.735	S	S	*	*				-159.8	161.7	119.7	-106	177.5	20.7	0	0	108.9
947	L	28.4	Very low	31.2	Very low	155 Å²	155	144.3 Å²	144.3	81%	0.812	74%	0.743	S	S	*	*			trans	-120.8	132.6	-148.1	-156.5	81	0	0	0	113.9
948	Y	27.2	Very low	31.1	Very low	227 Å²	227	145.2 Å²	145.2	89%	0.89	74%	0.743	S	S	*	*			trans	-126.9	130.6	155.4	-71.9	-81.3	0	0	0	108.2
949	P	33.3	Very low	30.9	Very low	118 Å²	118	145.7 Å²	145.7	77%	0.766	74%	0.74	S	S	*	*			trans	-83.6	124.3	-168.7	30.8	-34.2	0	0	0	113.4
950	L	25.8	Very low	30.8	Very low	173 Å²	173	144.6 Å²	144.6	91%	0.906	73%	0.726	S	S	*	*			trans	-86.6	128.2	161.2	-76.4	165.9	0	0	0	110
951	K	29.9	Very low	30.5	Very low	199 Å²	199	139 Å²	139	87%	0.865	70%	0.699	S	S	*	*			trans	-144.9	162.3	162.5	-92.2	-170.1	174.4	-177.8	0	110
952	E	27.7	Very low	30.4	Very low	140 Å²	140	138.6 Å²	138.6	65%	0.654	69%	0.689	S	S	*	*			trans	80	39.2	179.8	-58.2	-168.7	-161.4	0	0	118.7	S954	E952-S954 PolarHBondContact O-N 3.12Å
953	I	28.9	Very low	30.5	Very low	183 Å²	183	135.7 Å²	135.7	94%	0.938	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	75.7	148.3	-55	178.6	0	0	0	108.1
954	S	30.3	Very low	30.4	Very low	78 Å²	78	131.3 Å²	131.3	55%	0.545	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-158.7	-31	178.9	53.6	0	0	0	0	113.5	E952 A956	E952-S954 PolarHBondContact O-N 3.12Å; S954-A956 VanDerWaalsContact C-N 3.34Å; S954-A956 PolarHBondContact O-N 3.02Å
955	T	30.8	Very low	30.4	Very low	50 Å²	50	134.2 Å²	134.2	31%	0.307	66%	0.657	S	S	.	*	H	α-helix	trans	-76.3	-15.4	-172.6	53.4	0	0	0	0	114.6	Q958 K959	T955-Q958 PolarHBondContact O-N 2.87Å; T955-K959 WeakPolarHBondContact O-CG 3.25Å; T955-K959 PolarHBondContact O-N 2.6Å; T955-K959 VanDerWaalsContact O-N 3.09Å
956	A	31.3	Very low	30.6	Very low	78 Å²	78	132.1 Å²	132.1	65%	0.645	65%	0.649	S	S	*	*	H	α-helix	trans	-64.8	-40.8	-176.9	0	0	0	0	0	113.9	S954	S954-A956 VanDerWaalsContact C-N 3.34Å; S954-A956 PolarHBondContact O-N 3.02Å
957	Q	32.7	Very low	30.6	Very low	175 Å²	175	126.9 Å²	126.9	82%	0.818	62%	0.624	S	S	*	*	H	α-helix	trans	-74.2	-36.1	179.6	-74.5	179	-23.5	0	0	112.1	R960	Q957-R960 PolarHBondContact O-N 3.25Å
958	Q	29.6	Very low	30.8	Very low	138 Å²	138	122.3 Å²	122.3	65%	0.645	60%	0.603	S	S	*	*	H	α-helix	trans	-64.6	-38.9	173.3	-79	-179.2	-31.7	0	0	112.3	T955 R960 S961 V962	T955-Q958 PolarHBondContact O-N 2.87Å; Q958-R960 VanDerWaalsContact C-N 3.26Å; Q958-R960 PolarHBondContact O-N 3.37Å; Q958-S961 PolarHBondContact O-N 3.21Å; Q958-S961 VanDerWaalsContact O-N 3.1Å; Q958-S961 PolarHBondContact O-OG 2.81Å; Q958-V962 PolarHBondContact O-N 2.85Å
959	K	32	Very low	31.1	Very low	131 Å²	131	116.3 Å²	116.3	57%	0.57	59%	0.586	S	S	*	*	H	α-helix	trans	-59.5	-33	178	-78.4	-174.3	175.3	-165.1	0	113.8	T955 S961 V962	T955-K959 WeakPolarHBondContact O-CG 3.25Å; T955-K959 PolarHBondContact O-N 2.6Å; T955-K959 VanDerWaalsContact O-N 3.09Å; K959-S961 VanDerWaalsContact C-N 3.3Å; K959-S961 PolarHBondContact O-N 3.42Å; K959-V962 PolarHBondContact O-N 3.08Å
960	R	29.8	Very low	31	Very low	102 Å²	102	118.1 Å²	118.1	39%	0.385	58%	0.584	S	S	.	*	H	α-helix	trans	-65.1	-31.5	177.4	-140	176.7	-173.3	122.8	-7.9	112	D898 D899 N902 Q957 Q958	D898-R960 PolarHBondContact O-NH2 3.12Å; D899-R960 IonicContact OD1-CZ 2.68Å; D899-R960 IonicContact OD1-NE 3.33Å; D899-R960 IonicContact OD1-NH2 3.16Å; D899-R960 PolarHBondContact OD1-NH2 3.02Å; N902-R960 VanDerWaalsContact CG-NH1 3.25Å; N902-R960 PolarHBondContact ND2-NH1 3.48Å; N902-R960 PolarHBondContact OD1-NH1 3.08Å; Q957-R960 PolarHBondContact O-N 3.25Å; Q958-R960 VanDerWaalsContact C-N 3.26Å; Q958-R960 PolarHBondContact O-N 3.37Å
961	S	29.9	Very low	31.6	Very low	39 Å²	39	115.5 Å²	115.5	27%	0.273	58%	0.575	S	S	.	*	H	α-helix	trans	-81.3	-21.9	178.3	75.1	0	0	0	0	114.4	Q958 K959 L963 T964 R965	Q958-S961 PolarHBondContact O-N 3.21Å; Q958-S961 VanDerWaalsContact O-N 3.1Å; Q958-S961 PolarHBondContact O-OG 2.81Å; K959-S961 VanDerWaalsContact C-N 3.3Å; K959-S961 PolarHBondContact O-N 3.42Å; S961-L963 VanDerWaalsContact C-N 3.31Å; S961-T964 PolarHBondContact O-OG1 2.82Å; S961-T964 VanDerWaalsContact O-OG1 3.11Å; S961-R965 VanDerWaalsContact O-CB 3.32Å; S961-R965 WeakPolarHBondContact O-CB 3.42Å; S961-R965 WeakPolarHBondContact O-CD 3.28Å; S961-R965 WeakPolarHBondContact O-CG 3.37Å; S961-R965 PolarHBondContact O-N 2.99Å
962	V	31.9	Very low	32.1	Very low	67 Å²	67	108.4 Å²	108.4	41%	0.406	56%	0.559	S	S	.	*	H	α-helix	trans	-70.6	-30.4	175.7	178.5	0	0	0	0	111.5	Q958 K959 R966	Q958-V962 PolarHBondContact O-N 2.85Å; K959-V962 PolarHBondContact O-N 3.08Å; V962-R966 WeakPolarHBondContact O-CG 3.32Å; V962-R966 PolarHBondContact O-N 2.83Å
963	L	32.8	Very low	33.5	Very low	99 Å²	99	104.1 Å²	104.1	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-75.1	-30.6	178.1	-74	165.9	0	0	0	113.3	I669 S961	I669-L963 HydrophobicContact CD1-CD2 3.76Å; S961-L963 VanDerWaalsContact C-N 3.31Å
964	T	31.9	Very low	35.7	Very low	66 Å²	66	97.7 Å²	97.7	41%	0.405	51%	0.509	S	S	.	.	H	α-helix	trans	-79.7	-45.9	173	49.9	0	0	0	0	111.7	S961 R966 H967	S961-T964 PolarHBondContact O-OG1 2.82Å; S961-T964 VanDerWaalsContact O-OG1 3.11Å; T964-R966 PolarHBondContact O-N 3.06Å; T964-R966 VanDerWaalsContact O-N 3.13Å; T964-H967 PolarHBondContact O-N 2.86Å
965	R	31.6	Very low	38.4	Very low	183 Å²	183	95 Å²	95	69%	0.691	49%	0.489	S	S	*	.	H	α-helix	trans	-62.9	-19.4	-177.5	-73.3	173.9	176.3	-166.3	-2.6	115.2	S961 H967	S961-R965 VanDerWaalsContact O-CB 3.32Å; S961-R965 WeakPolarHBondContact O-CB 3.42Å; S961-R965 WeakPolarHBondContact O-CD 3.28Å; S961-R965 WeakPolarHBondContact O-CG 3.37Å; S961-R965 PolarHBondContact O-N 2.99Å; R965-H967 VanDerWaalsContact C-N 3.26Å; R965-H967 PolarHBondContact O-N 3.5Å
966	R	33.9	Very low	41.4	Very low	172 Å²	172	93.1 Å²	93.1	65%	0.649	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	0.3	179.4	-84.4	-178	176.6	176.9	1.7	115.2	F782 V962 T964	F782-R966 WeakPolarHBondContact CE1-O 3.37Å; F782-R966 WeakPolarHBondContact CZ-O 3.43Å; V962-R966 WeakPolarHBondContact O-CG 3.32Å; V962-R966 PolarHBondContact O-N 2.83Å; T964-R966 PolarHBondContact O-N 3.06Å; T964-R966 VanDerWaalsContact O-N 3.13Å
967	H	32.1	Very low	44.2	Very low	91 Å²	91	90.7 Å²	90.7	42%	0.421	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	0.3	-176.1	-89.1	-84.5	0	0	0	115.2	F638 T964 R965	F638-H967 AromaticContact CE1-CE1 3.46Å; F638-H967 VanDerWaalsContact CE1-CE1 3.46Å; F638-H967 WeakPolarHBondContact CE1-CE1 3.5Å; F638-H967 AromaticContact CZ-CE1 3.85Å; T964-H967 PolarHBondContact O-N 2.86Å; R965-H967 VanDerWaalsContact C-N 3.26Å; R965-H967 PolarHBondContact O-N 3.5Å
968	T	33.5	Very low	47	Very low	59 Å²	59	82.4 Å²	82.4	36%	0.362	41%	0.413	S	S	.	.			trans	-128	71.6	-164.6	58.2	0	0	0	0	112.5	M977	T968-M977 HydrophobicContact CG2-CE 4.22Å
969	D	33.4	Very low	49.9	Very low	101 Å²	101	76.2 Å²	76.2	54%	0.54	39%	0.385	S	S	.	.			trans	-130.7	87.6	166.2	-100	-46.9	0	0	0	112.5	V971	D969-V971 PolarHBondContact O-N 2.88Å
970	H	32	Very low	52.7	Low	157 Å²	157	70.2 Å²	70.2	73%	0.727	36%	0.359	S	S	*	.	S	Bend	trans	64.6	31.3	134.7	-65.3	100.7	0	0	0	121.5
971	V	37.1	Very low	55.4	Low	117 Å²	117	66.6 Å²	66.6	71%	0.709	35%	0.347	S	S	*	.	S	Bend	trans	-148.8	127.6	133.4	-173.1	0	0	0	0	111.2	D969	D969-V971 PolarHBondContact O-N 2.88Å
972	G	40.6	Very low	58.1	Low	51 Å²	51	69.6 Å²	69.6	53%	0.526	36%	0.356	S	S	.	.	S	Bend	trans	107.9	-39.4	148.1	0	0	0	0	0	118.7
973	T	58.4	Low	60.6	Low	50 Å²	50	72.1 Å²	72.1	31%	0.307	36%	0.358	S	S	.	.	S	Bend	trans	-85.3	-28.4	-173.6	-73.6	0	0	0	0	113.9	K873 L975	K873-T973 PolarHBondContact NZ-OG1 2.92Å; T973-L975 PolarHBondContact O-N 2.78Å
974	D	73.5	Confident	62.8	Low	47 Å²	47	70.1 Å²	70.1	25%	0.251	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-70.4	-8.7	-169.3	-40.3	-65.3	0	0	0	114.1	Y976 M977 K1021	D974-Y976 VanDerWaalsContact C-N 3.26Å; D974-Y976 PolarHBondContact O-N 2.93Å; D974-M977 HydrophobicContact CB-CB 4.49Å; D974-M977 HydrophobicContact CB-CE 4.43Å; D974-M977 VanDerWaalsContact O-CB 3.32Å; D974-M977 WeakPolarHBondContact O-CB 3.34Å; D974-M977 PolarHBondContact O-N 2.92Å; D974-M977 VanDerWaalsContact O-N 3.13Å; D974-M977 WeakPolarHBondContact OD1-CE 3.36Å; D974-K1021 PolarHBondContact O-NZ 2.78Å
975	L	87.7	Confident	65.1	Low	21 Å²	21	70.3 Å²	70.3	11%	0.11	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-60.5	-32.8	-176.7	-167.2	63	0	0	0	113.2	T973 L998 I1014 L1017 T1018	T973-L975 PolarHBondContact O-N 2.78Å; L975-L998 WeakPolarHBondContact O-CD1 3.45Å; L975-I1014 HydrophobicContact CD1-CG2 4.45Å; L975-I1014 HydrophobicContact CD2-CG1 4.17Å; L975-L1017 HydrophobicContact CD1-CB 3.95Å; L975-L1017 HydrophobicContact CD2-CB 4.39Å; L975-L1017 HydrophobicContact CD2-CD1 3.89Å; L975-L1017 HydrophobicContact CG-CB 4.14Å; L975-L1017 HydrophobicContact CG-CD1 4.3Å; L975-T1018 WeakPolarHBondContact CD1-OG1 3.27Å
976	Y	93.1	Very high	67.3	Low	11 Å²	11	68 Å²	68	4%	0.043	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-100.9	-5.1	177.7	-55.7	-87.5	0	0	0	113.9	L872 K873 P874 D974 S995 L998 I999 E1002 R1013 L1017	L872-Y976 WeakPolarHBondContact O-CB 3.42Å; K873-Y976 HydrophobicContact CB-CD2 3.43Å; K873-Y976 VanDerWaalsContact CB-CD2 3.43Å; K873-Y976 HydrophobicContact CB-CE2 3.75Å; K873-Y976 HydrophobicContact CB-CG 3.86Å; P874-Y976 VanDerWaalsContact CD-OH 3.3Å; P874-Y976 WeakPolarHBondContact CD-OH 3.35Å; P874-Y976 HydrophobicContact CG-CE1 4.13Å; D974-Y976 VanDerWaalsContact C-N 3.26Å; D974-Y976 PolarHBondContact O-N 2.93Å; Y976-S995 PolarHBondContact O-OG 3.04Å; Y976-L998 HydrophobicContact CD1-CB 3.99Å; Y976-L998 HydrophobicContact CE1-CB 4.49Å; Y976-I999 HydrophobicContact CD1-CG1 4.13Å; Y976-I999 HydrophobicContact CE1-CG1 4.18Å; Y976-E1002 VanDerWaalsContact CE1-OE2 3.31Å; Y976-E1002 WeakPolarHBondContact CE1-OE2 3.47Å; Y976-E1002 VanDerWaalsContact CZ-OE2 3.3Å; Y976-E1002 VanDerWaalsContact OH-CD 3.29Å; Y976-E1002 PolarHBondContact OH-OE1 3.27Å; Y976-E1002 PolarHBondContact OH-OE2 3.36Å; Y976-R1013 PolarHBondContact OH-NH2 2.9Å; Y976-L1017 HydrophobicContact CE1-CD1 4.5Å
977	M	90.1	Very high	69.8	Low	28 Å²	28	62 Å²	62	14%	0.138	34%	0.339	C	S	.	.			trans	-67.9	136.9	-177.2	-171.9	-180	-63.3	0	0	110.4	T968 D974 Q981 E982 K1021	T968-M977 HydrophobicContact CG2-CE 4.22Å; D974-M977 HydrophobicContact CB-CB 4.49Å; D974-M977 HydrophobicContact CB-CE 4.43Å; D974-M977 VanDerWaalsContact O-CB 3.32Å; D974-M977 WeakPolarHBondContact O-CB 3.34Å; D974-M977 PolarHBondContact O-N 2.92Å; D974-M977 VanDerWaalsContact O-N 3.13Å; D974-M977 WeakPolarHBondContact OD1-CE 3.36Å; M977-Q981 HydrophobicContact CG-CB 3.3Å; M977-Q981 HydrophobicContact CG-CG 4.27Å; M977-Q981 HydrophobicContact SD-CB 3.81Å; M977-E982 HydrophobicContact CB-CG 4.18Å; M977-E982 HydrophobicContact CG-CG 3.9Å; M977-E982 HydrophobicContact SD-CB 4.39Å; M977-E982 HydrophobicContact SD-CG 3.78Å; M977-K1021 WeakPolarHBondContact O-CE 3.28Å; M977-K1021 PolarHBondContact O-NZ 2.91Å
978	S	91.7	Very high	72.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.336	C	S	.	.			trans	-73.1	156	177.7	64.4	0	0	0	0	112.6	E980 Q981 E982 V991	S978-E980 WeakPolarHBondContact CB-OE1 3.49Å; S978-E980 PolarHBondContact O-N 2.84Å; S978-E980 VanDerWaalsContact OG-CD 3.24Å; S978-E980 PolarHBondContact OG-OE1 2.8Å; S978-Q981 WeakPolarHBondContact O-CB 3.22Å; S978-Q981 PolarHBondContact O-N 3Å; S978-Q981 WeakPolarHBondContact OG-CG 3.41Å; S978-Q981 PolarHBondContact OG-OE1 2.83Å; S978-E982 PolarHBondContact O-N 3.05Å; S978-V991 VanDerWaalsContact OG-CG1 3.3Å; S978-V991 WeakPolarHBondContact OG-CG1 3.39Å
979	P	91.7	Very high	75.1	Confident	8 Å²	8	59.7 Å²	59.7	5%	0.052	33%	0.327	C	S	.	.	H	α-helix	trans	-62.2	-28.3	-175.4	-24.2	35.5	0	0	0	113.9	R983 F994 Y1046	P979-R983 WeakPolarHBondContact O-CG 3.34Å; P979-R983 PolarHBondContact O-N 3.19Å; P979-R983 PolarHBondContact O-NE 3.14Å; P979-F994 HydrophobicContact CG-CE1 4.5Å; P979-F994 HydrophobicContact CG-CE2 3.96Å; P979-F994 HydrophobicContact CG-CZ 3.84Å; P979-Y1046 HydrophobicContact CB-CD2 3.86Å; P979-Y1046 HydrophobicContact CB-CE2 3.46Å; P979-Y1046 VanDerWaalsContact CB-CE2 3.46Å; P979-Y1046 HydrophobicContact CG-CD2 3.88Å; P979-Y1046 HydrophobicContact CG-CE2 3.97Å
980	E	89.4	Confident	78.1	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.028	30%	0.304	C	S	.	.	H	α-helix	trans	-74.8	-32.9	173.8	62.9	-83.6	-164	0	0	113.1	S978 G984 D985 V991 P1048 R1051	S978-E980 WeakPolarHBondContact CB-OE1 3.49Å; S978-E980 PolarHBondContact O-N 2.84Å; S978-E980 VanDerWaalsContact OG-CD 3.24Å; S978-E980 PolarHBondContact OG-OE1 2.8Å; E980-G984 PolarHBondContact O-N 2.85Å; E980-D985 HydrophobicContact CB-CB 4.19Å; E980-D985 PolarHBondContact O-N 3.03Å; E980-V991 HydrophobicContact CG-CG1 4.23Å; E980-P1048 HydrophobicContact CG-CG 4.3Å; E980-R1051 IonicContact OE1-CZ 2.78Å; E980-R1051 IonicContact OE1-NH1 2.74Å; E980-R1051 PolarHBondContact OE1-NH1 3.03Å; E980-R1051 IonicContact OE1-NH2 3.89Å; E980-R1051 PolarHBondContact OE1-NH2 3.4Å; E980-R1051 IonicContact OE2-CZ 3.19Å; E980-R1051 IonicContact OE2-NH1 2.83Å; E980-R1051 IonicContact OE2-NH2 2.68Å; E980-R1051 PolarHBondContact OE2-NH2 2.86Å
981	Q	87.7	Confident	81	Confident	26 Å²	26	48.1 Å²	48.1	12%	0.121	27%	0.27	C	S	.	.	H	α-helix	trans	-68.2	-43.1	170.2	-73.7	169.9	-66	0	0	111.2	R870 M977 S978 R983 G984 Y987 V991	R870-Q981 PolarHBondContact O-NE2 3.01Å; M977-Q981 HydrophobicContact CG-CB 3.3Å; M977-Q981 HydrophobicContact CG-CG 4.27Å; M977-Q981 HydrophobicContact SD-CB 3.81Å; S978-Q981 WeakPolarHBondContact O-CB 3.22Å; S978-Q981 PolarHBondContact O-N 3Å; S978-Q981 WeakPolarHBondContact OG-CG 3.41Å; S978-Q981 PolarHBondContact OG-OE1 2.83Å; Q981-R983 PolarHBondContact O-N 3.31Å; Q981-G984 PolarHBondContact O-N 2.88Å; Q981-Y987 HydrophobicContact CG-CD1 3.91Å; Q981-Y987 HydrophobicContact CG-CD2 4.35Å; Q981-Y987 HydrophobicContact CG-CE1 4.04Å; Q981-Y987 HydrophobicContact CG-CE2 4.44Å; Q981-Y987 HydrophobicContact CG-CG 4.09Å; Q981-V991 HydrophobicContact CG-CB 4.32Å; Q981-V991 HydrophobicContact CG-CG1 3.8Å
982	E	85.3	Confident	83.8	Confident	102 Å²	102	42.6 Å²	42.6	48%	0.477	24%	0.236	S	C	.	.	H	α-helix	trans	-60	-33.1	177.4	-71.5	178.3	119.8	0	0	112.6	M977 S978 G984 K1021	M977-E982 HydrophobicContact CB-CG 4.18Å; M977-E982 HydrophobicContact CG-CG 3.9Å; M977-E982 HydrophobicContact SD-CB 4.39Å; M977-E982 HydrophobicContact SD-CG 3.78Å; S978-E982 PolarHBondContact O-N 3.05Å; E982-G984 VanDerWaalsContact C-N 3.34Å; E982-K1021 IonicContact OE1-NZ 3.29Å; E982-K1021 PolarHBondContact OE1-NZ 3.24Å; E982-K1021 WeakPolarHBondContact OE2-CE 3.48Å; E982-K1021 IonicContact OE2-NZ 2.75Å; E982-K1021 PolarHBondContact OE2-NZ 3.34Å
983	R	85	Confident	86.5	Confident	119 Å²	119	40.1 Å²	40.1	45%	0.449	21%	0.211	S	C	.	.	H	α-helix	trans	-78.3	-16.4	174.4	-78	174.6	-78.7	153.4	-11.4	113.8	P979 Q981 D985 Y1046	P979-R983 WeakPolarHBondContact O-CG 3.34Å; P979-R983 PolarHBondContact O-N 3.19Å; P979-R983 PolarHBondContact O-NE 3.14Å; Q981-R983 PolarHBondContact O-N 3.31Å; R983-D985 VanDerWaalsContact C-N 3.27Å; R983-D985 HydrophobicContact CB-CB 4.49Å; R983-D985 WeakPolarHBondContact CB-OD2 3.4Å; R983-D985 WeakPolarHBondContact CD-OD2 3.38Å; R983-D985 IonicContact CZ-OD2 3.14Å; R983-D985 IonicContact NE-OD2 2.7Å; R983-D985 PolarHBondContact NE-OD2 2.99Å; R983-D985 IonicContact NH1-OD2 2.69Å; R983-D985 PolarHBondContact NH1-OD2 3.46Å; R983-Y1046 PolarHBondContact NE-OH 3.05Å
984	G	78.6	Confident	88.3	Confident	57 Å²	57	37.8 Å²	37.8	59%	0.588	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	23.9	-168.4	0	0	0	0	0	113.6	E980 Q981 E982	E980-G984 PolarHBondContact O-N 2.85Å; Q981-G984 PolarHBondContact O-N 2.88Å; E982-G984 VanDerWaalsContact C-N 3.34Å
985	D	80.2	Confident	89.4	Confident	71 Å²	71	35.6 Å²	35.6	38%	0.38	19%	0.185	S	C	.	.			trans	-69.3	167.1	175.7	-74.1	-40	0	0	0	111.2	E980 R983 Y987	E980-D985 HydrophobicContact CB-CB 4.19Å; E980-D985 PolarHBondContact O-N 3.03Å; R983-D985 VanDerWaalsContact C-N 3.27Å; R983-D985 HydrophobicContact CB-CB 4.49Å; R983-D985 WeakPolarHBondContact CB-OD2 3.4Å; R983-D985 WeakPolarHBondContact CD-OD2 3.38Å; R983-D985 IonicContact CZ-OD2 3.14Å; R983-D985 IonicContact NE-OD2 2.7Å; R983-D985 PolarHBondContact NE-OD2 2.99Å; R983-D985 IonicContact NH1-OD2 2.69Å; R983-D985 PolarHBondContact NH1-OD2 3.46Å; D985-Y987 WeakPolarHBondContact O-CD1 3.34Å; D985-Y987 PolarHBondContact O-N 3.26Å
986	N	78.7	Confident	89.8	Confident	133 Å²	133	34.6 Å²	34.6	71%	0.711	18%	0.18	S	C	*	.			trans	-68.4	124.7	166.5	-73.6	-32.8	0	0	0	109.7
987	Y	85.3	Confident	90	Very high	46 Å²	46	34.1 Å²	34.1	18%	0.18	18%	0.178	C	C	.	.			trans	-128.3	163.3	-176.6	63.4	-99.9	0	0	0	112.3	M868 R870 Q981 D985 V991	M868-Y987 HydrophobicContact SD-CD2 4.15Å; M868-Y987 HydrophobicContact SD-CE2 3.99Å; R870-Y987 HydrophobicContact CG-CE2 3.96Å; R870-Y987 PolarHBondContact NE-OH 2.73Å; Q981-Y987 HydrophobicContact CG-CD1 3.91Å; Q981-Y987 HydrophobicContact CG-CD2 4.35Å; Q981-Y987 HydrophobicContact CG-CE1 4.04Å; Q981-Y987 HydrophobicContact CG-CE2 4.44Å; Q981-Y987 HydrophobicContact CG-CG 4.09Å; D985-Y987 WeakPolarHBondContact O-CD1 3.34Å; D985-Y987 PolarHBondContact O-N 3.26Å; Y987-V991 HydrophobicContact CD2-CG1 3.51Å; Y987-V991 HydrophobicContact CD2-CG2 4.22Å; Y987-V991 HydrophobicContact CE2-CG1 4.39Å; Y987-V991 HydrophobicContact CG-CG1 3.77Å
988	N	88.1	Confident	90.3	Very high	67 Å²	67	32.8 Å²	32.8	36%	0.358	17%	0.171	S	C	.	.			trans	-126.6	-165.7	-179.2	64.6	15.5	0	0	0	110.8	K990 V991	N988-K990 PolarHBondContact O-N 2.88Å; N988-K990 VanDerWaalsContact O-N 3.07Å; N988-K990 WeakPolarHBondContact OD1-CB 3.36Å; N988-K990 WeakPolarHBondContact OD1-CG 3.39Å; N988-K990 PolarHBondContact OD1-N 3.21Å; N988-V991 WeakPolarHBondContact O-CG1 3.37Å; N988-V991 WeakPolarHBondContact O-CG2 3.24Å; N988-V991 PolarHBondContact O-N 2.61Å
989	H	90.5	Very high	90.5	Very high	36 Å²	36	32.8 Å²	32.8	17%	0.167	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.6	-179	68	-70.8	0	0	0	115.1	H863 M868 M896 V991 D992 D1053	H863-H989 AromaticContact CE1-CD2 3.79Å; H863-H989 PolarHBondContact CE1-O 2.95Å; H863-H989 VanDerWaalsContact CE1-O 3.31Å; H863-H989 AromaticContact ND1-CD2 3.49Å; H863-H989 PolarHBondContact ND1-CD2 3.48Å; M868-H989 HydrophobicContact CB-CB 4.2Å; M896-H989 HydrophobicContact CE-CB 3.44Å; M896-H989 VanDerWaalsContact CE-CB 3.44Å; M896-H989 HydrophobicContact SD-CB 3.86Å; H989-V991 PolarHBondContact O-N 2.79Å; H989-D992 WeakPolarHBondContact O-CB 3.5Å; H989-D992 PolarHBondContact O-N 3.02Å; H989-D1053 IonicContact CD2-OD1 2.69Å; H989-D1053 IonicContact CE1-OD1 3.82Å; H989-D1053 IonicContact NE2-OD1 3.63Å; H989-D1053 PolarHBondContact NE2-OD1 3.41Å
990	K	95	Very high	90.8	Very high	15 Å²	15	32.4 Å²	32.4	7%	0.065	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-10.4	176	-56	-74.9	-159.1	-177.8	0	113.1	N988 I993 F994 P1048 R1051 D1053	N988-K990 PolarHBondContact O-N 2.88Å; N988-K990 VanDerWaalsContact O-N 3.07Å; N988-K990 WeakPolarHBondContact OD1-CB 3.36Å; N988-K990 WeakPolarHBondContact OD1-CG 3.39Å; N988-K990 PolarHBondContact OD1-N 3.21Å; K990-I993 HydrophobicContact CD-CG1 4.46Å; K990-I993 WeakPolarHBondContact O-CB 3.32Å; K990-I993 PolarHBondContact O-N 3.1Å; K990-F994 PolarHBondContact O-N 2.86Å; K990-P1048 HydrophobicContact CB-CB 3.84Å; K990-P1048 WeakPolarHBondContact CD-O 3.27Å; K990-P1048 WeakPolarHBondContact CE-O 3.13Å; K990-P1048 HydrophobicContact CG-CB 4.24Å; K990-P1048 VanDerWaalsContact CG-O 3.24Å; K990-P1048 WeakPolarHBondContact CG-O 3.35Å; K990-R1051 HydrophobicContact CD-CB 4.37Å; K990-R1051 WeakPolarHBondContact CE-O 3.41Å; K990-R1051 PolarHBondContact NZ-O 3.14Å; K990-R1051 PolarHBondContact O-NH1 3Å; K990-D1053 WeakPolarHBondContact CE-OD1 3.42Å; K990-D1053 IonicContact NZ-OD1 3.77Å; K990-D1053 PolarHBondContact NZ-OD1 3.02Å; K990-D1053 IonicContact NZ-OD2 3.55Å; K990-D1053 PolarHBondContact NZ-OD2 2.96Å
991	V	94.1	Very high	91	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-44.9	170.2	-58.7	0	0	0	0	111.1	R870 S978 E980 Q981 Y987 N988 H989 I993 F994 S995	R870-V991 HydrophobicContact CG-CG2 4.34Å; S978-V991 VanDerWaalsContact OG-CG1 3.3Å; S978-V991 WeakPolarHBondContact OG-CG1 3.39Å; E980-V991 HydrophobicContact CG-CG1 4.23Å; Q981-V991 HydrophobicContact CG-CB 4.32Å; Q981-V991 HydrophobicContact CG-CG1 3.8Å; Y987-V991 HydrophobicContact CD2-CG1 3.51Å; Y987-V991 HydrophobicContact CD2-CG2 4.22Å; Y987-V991 HydrophobicContact CE2-CG1 4.39Å; Y987-V991 HydrophobicContact CG-CG1 3.77Å; N988-V991 WeakPolarHBondContact O-CG1 3.37Å; N988-V991 WeakPolarHBondContact O-CG2 3.24Å; N988-V991 PolarHBondContact O-N 2.61Å; H989-V991 PolarHBondContact O-N 2.79Å; V991-I993 PolarHBondContact O-N 2.84Å; V991-F994 WeakPolarHBondContact O-CB 3.47Å; V991-F994 PolarHBondContact O-N 3.29Å; V991-S995 PolarHBondContact O-N 2.87Å; V991-S995 VanDerWaalsContact O-N 3.11Å; V991-S995 PolarHBondContact O-OG 2.81Å
992	D	95.2	Very high	91.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-34.1	179	-64.3	-23.5	0	0	0	111.1	V859 H863 M868 H869 R870 L872 H989 S995 L996	V859-D992 HydrophobicContact CG1-CB 4.05Å; H863-D992 IonicContact CD2-OD2 2.78Å; H863-D992 IonicContact CE1-OD2 2.72Å; H863-D992 IonicContact NE2-OD2 3.23Å; H863-D992 PolarHBondContact NE2-OD2 2.86Å; M868-D992 WeakPolarHBondContact CA-OD2 3.48Å; M868-D992 WeakPolarHBondContact CB-OD2 3.29Å; H869-D992 WeakPolarHBondContact CB-OD1 3.49Å; H869-D992 PolarHBondContact N-OD1 2.88Å; H869-D992 PolarHBondContact N-OD2 3.16Å; R870-D992 PolarHBondContact N-OD1 2.82Å; L872-D992 HydrophobicContact CD1-CB 3.61Å; H989-D992 WeakPolarHBondContact O-CB 3.5Å; H989-D992 PolarHBondContact O-N 3.02Å; D992-S995 PolarHBondContact O-N 2.81Å; D992-L996 WeakPolarHBondContact O-CB 3.14Å; D992-L996 VanDerWaalsContact O-CG 3.28Å; D992-L996 WeakPolarHBondContact O-CG 3.39Å; D992-L996 PolarHBondContact O-N 2.91Å
993	I	97.1	Very high	91.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.8	-37.7	177.3	-52.5	-59.9	0	0	0	111.9	K990 V991 L996 G997 L1043 R1051 P1052 A1054 I1057	K990-I993 HydrophobicContact CD-CG1 4.46Å; K990-I993 WeakPolarHBondContact O-CB 3.32Å; K990-I993 PolarHBondContact O-N 3.1Å; V991-I993 PolarHBondContact O-N 2.84Å; I993-L996 HydrophobicContact CD1-CD1 4.28Å; I993-L996 WeakPolarHBondContact O-CB 3.5Å; I993-L996 PolarHBondContact O-N 3.31Å; I993-G997 PolarHBondContact O-N 2.87Å; I993-G997 VanDerWaalsContact O-N 3.1Å; I993-L1043 HydrophobicContact CG2-CD2 3.77Å; I993-R1051 HydrophobicContact CB-CB 4.5Å; I993-R1051 HydrophobicContact CG2-CB 3.94Å; I993-P1052 WeakPolarHBondContact CG2-O 3.27Å; I993-A1054 HydrophobicContact CD1-CB 4.05Å; I993-I1057 HydrophobicContact CD1-CD1 3.91Å; I993-I1057 HydrophobicContact CG2-CD1 3.95Å
994	F	96.6	Very high	92.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69	-44.7	175.9	-172.3	-88.1	0	0	0	110.8	P979 K990 V991 L996 G997 L998 K1021 L1044	P979-F994 HydrophobicContact CG-CE1 4.5Å; P979-F994 HydrophobicContact CG-CE2 3.96Å; P979-F994 HydrophobicContact CG-CZ 3.84Å; K990-F994 PolarHBondContact O-N 2.86Å; V991-F994 WeakPolarHBondContact O-CB 3.47Å; V991-F994 PolarHBondContact O-N 3.29Å; F994-L996 VanDerWaalsContact C-N 3.33Å; F994-L996 PolarHBondContact O-N 3.04Å; F994-G997 PolarHBondContact O-N 3.07Å; F994-G997 VanDerWaalsContact O-N 3.08Å; F994-L998 HydrophobicContact CD1-CD1 4.05Å; F994-L998 HydrophobicContact CE1-CD1 3.75Å; F994-L998 HydrophobicContact CE1-CG 4.42Å; F994-L998 PolarHBondContact O-N 2.85Å; F994-K1021 HydrophobicContact CE1-CG 4.15Å; F994-K1021 HydrophobicContact CZ-CB 4.1Å; F994-K1021 HydrophobicContact CZ-CG 4.2Å; F994-L1044 HydrophobicContact CD1-CD2 4.18Å; F994-L1044 HydrophobicContact CD2-CB 4.41Å; F994-L1044 HydrophobicContact CD2-CD2 3.75Å; F994-L1044 HydrophobicContact CE1-CD2 4.25Å; F994-L1044 HydrophobicContact CE2-CB 4.1Å; F994-L1044 HydrophobicContact CE2-CD2 3.81Å; F994-L1044 HydrophobicContact CG-CD2 3.95Å; F994-L1044 HydrophobicContact CZ-CD2 4.07Å; F994-L1044 WeakPolarHBondContact O-CD2 3.33Å
995	S	95.8	Very high	92.9	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.014	10%	0.103	C	C	.	.	H	α-helix	trans	-60.5	-41.1	174.3	-52.2	0	0	0	0	112	L872 Y976 V991 D992 G997 L998 I999	L872-S995 WeakPolarHBondContact O-CB 3.47Å; Y976-S995 PolarHBondContact O-OG 3.04Å; V991-S995 PolarHBondContact O-N 2.87Å; V991-S995 VanDerWaalsContact O-N 3.11Å; V991-S995 PolarHBondContact O-OG 2.81Å; D992-S995 PolarHBondContact O-N 2.81Å; S995-G997 VanDerWaalsContact C-N 3.31Å; S995-G997 PolarHBondContact O-N 2.7Å; S995-L998 PolarHBondContact O-N 3.36Å; S995-I999 VanDerWaalsContact O-CG1 3.28Å; S995-I999 WeakPolarHBondContact O-CG1 3.38Å; S995-I999 PolarHBondContact O-N 2.67Å
996	L	97.3	Very high	93.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-56.8	-40.7	171.3	-80.6	170.3	0	0	0	112.5	F852 I855 V856 V859 D992 I993 F994 L998 I999 F1000	F852-L996 HydrophobicContact CE2-CB 4.1Å; F852-L996 HydrophobicContact CE2-CD2 3.77Å; F852-L996 WeakPolarHBondContact CE2-O 3.32Å; F852-L996 HydrophobicContact CZ-CB 4.2Å; F852-L996 HydrophobicContact CZ-CD2 4.33Å; I855-L996 HydrophobicContact CB-CD2 4.28Å; I855-L996 HydrophobicContact CG2-CD2 3.59Å; V856-L996 HydrophobicContact CG2-CD1 4.23Å; V856-L996 HydrophobicContact CG2-CD2 4.11Å; V859-L996 HydrophobicContact CB-CD1 4.12Å; V859-L996 HydrophobicContact CG1-CD1 3.96Å; V859-L996 HydrophobicContact CG2-CD1 4.09Å; V859-L996 HydrophobicContact CG2-CD2 4.33Å; V859-L996 HydrophobicContact CG2-CG 4.44Å; D992-L996 WeakPolarHBondContact O-CB 3.14Å; D992-L996 VanDerWaalsContact O-CG 3.28Å; D992-L996 WeakPolarHBondContact O-CG 3.39Å; D992-L996 PolarHBondContact O-N 2.91Å; I993-L996 HydrophobicContact CD1-CD1 4.28Å; I993-L996 WeakPolarHBondContact O-CB 3.5Å; I993-L996 PolarHBondContact O-N 3.31Å; F994-L996 VanDerWaalsContact C-N 3.33Å; F994-L996 PolarHBondContact O-N 3.04Å; L996-L998 VanDerWaalsContact C-N 3.35Å; L996-L998 PolarHBondContact O-N 2.71Å; L996-I999 PolarHBondContact O-N 3.01Å; L996-F1000 WeakPolarHBondContact O-CB 3.31Å; L996-F1000 PolarHBondContact O-N 3.41Å
997	G	96.9	Very high	93.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.1	-41.9	175.9	0	0	0	0	0	113.2	I993 F994 S995 F1000 I1001	I993-G997 PolarHBondContact O-N 2.87Å; I993-G997 VanDerWaalsContact O-N 3.1Å; F994-G997 PolarHBondContact O-N 3.07Å; F994-G997 VanDerWaalsContact O-N 3.08Å; S995-G997 VanDerWaalsContact C-N 3.31Å; S995-G997 PolarHBondContact O-N 2.7Å; G997-F1000 PolarHBondContact O-N 3.41Å; G997-I1001 WeakPolarHBondContact O-CG1 3.48Å; G997-I1001 PolarHBondContact O-N 3.48Å; G997-I1001 VanDerWaalsContact O-N 3.12Å
998	L	96.6	Very high	93.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-71.1	-39.8	176.7	-65.1	170.1	0	0	0	112.1	L975 Y976 F994 S995 L996 F1000 I1001 E1002 L1017 A1020 K1021 L1044	L975-L998 WeakPolarHBondContact O-CD1 3.45Å; Y976-L998 HydrophobicContact CD1-CB 3.99Å; Y976-L998 HydrophobicContact CE1-CB 4.49Å; F994-L998 HydrophobicContact CD1-CD1 4.05Å; F994-L998 HydrophobicContact CE1-CD1 3.75Å; F994-L998 HydrophobicContact CE1-CG 4.42Å; F994-L998 PolarHBondContact O-N 2.85Å; S995-L998 PolarHBondContact O-N 3.36Å; L996-L998 VanDerWaalsContact C-N 3.35Å; L996-L998 PolarHBondContact O-N 2.71Å; L998-F1000 VanDerWaalsContact C-N 3.28Å; L998-F1000 PolarHBondContact O-N 3.35Å; L998-I1001 HydrophobicContact CD2-CD1 4.35Å; L998-I1001 PolarHBondContact O-N 3.4Å; L998-E1002 PolarHBondContact O-N 3.25Å; L998-L1017 HydrophobicContact CB-CD2 4.44Å; L998-L1017 HydrophobicContact CD2-CD2 4.26Å; L998-A1020 HydrophobicContact CD2-CB 3.95Å; L998-K1021 HydrophobicContact CD1-CG 4.05Å; L998-K1021 HydrophobicContact CD2-CG 4.12Å; L998-L1044 HydrophobicContact CD2-CD1 3.92Å; L998-L1044 HydrophobicContact CD2-CD2 4.14Å; L998-L1044 HydrophobicContact CG-CD1 4.5Å; L998-L1044 HydrophobicContact CG-CD2 3.87Å
999	I	96.6	Very high	93.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-61.3	-37.8	173.1	-67.3	162.6	0	0	0	110.7	L829 I855 L872 P874 I877 Y976 S995 L996 E1002 L1003	L829-I999 HydrophobicContact CD2-CG2 4.38Å; I855-I999 HydrophobicContact CD1-CG2 4.06Å; L872-I999 HydrophobicContact CB-CD1 4.48Å; L872-I999 HydrophobicContact CD2-CD1 4.12Å; P874-I999 HydrophobicContact CG-CG1 4.2Å; I877-I999 HydrophobicContact CD1-CD1 4.09Å; Y976-I999 HydrophobicContact CD1-CG1 4.13Å; Y976-I999 HydrophobicContact CE1-CG1 4.18Å; S995-I999 VanDerWaalsContact O-CG1 3.28Å; S995-I999 WeakPolarHBondContact O-CG1 3.38Å; S995-I999 PolarHBondContact O-N 2.67Å; L996-I999 PolarHBondContact O-N 3.01Å; I999-E1002 PolarHBondContact O-N 3.17Å; I999-L1003 HydrophobicContact CG2-CD1 4.23Å; I999-L1003 WeakPolarHBondContact O-CG 3.49Å; I999-L1003 PolarHBondContact O-N 2.97Å
1000	F	96.6	Very high	93.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-70.1	-37.8	177.6	-166.9	-130.4	0	0	0	112.8	I849 F852 L996 G997 L998 E1002 L1003 L1004 E1036 F1039 V1040 L1062	I849-F1000 HydrophobicContact CG1-CE2 4.26Å; I849-F1000 HydrophobicContact CG1-CZ 4.24Å; F852-F1000 HydrophobicContact CB-CD2 3.75Å; F852-F1000 HydrophobicContact CB-CE2 3.97Å; F852-F1000 AromaticContact CD1-CD2 3.63Å; F852-F1000 HydrophobicContact CD1-CD2 3.63Å; F852-F1000 AromaticContact CD1-CE2 3.91Å; F852-F1000 HydrophobicContact CD1-CE2 3.91Å; F852-F1000 HydrophobicContact CD1-CG 4.09Å; F852-F1000 HydrophobicContact CD2-CB 3.91Å; F852-F1000 AromaticContact CD2-CD2 3.77Å; F852-F1000 HydrophobicContact CD2-CD2 3.77Å; F852-F1000 HydrophobicContact CD2-CG 4.14Å; F852-F1000 HydrophobicContact CE1-CB 4.38Å; F852-F1000 HydrophobicContact CE1-CD2 4.15Å; F852-F1000 HydrophobicContact CE1-CG 4.13Å; F852-F1000 HydrophobicContact CE2-CB 3.68Å; F852-F1000 HydrophobicContact CE2-CD2 4.29Å; F852-F1000 HydrophobicContact CE2-CG 4.19Å; F852-F1000 HydrophobicContact CG-CB 4.38Å; F852-F1000 AromaticContact CG-CD2 3.42Å; F852-F1000 HydrophobicContact CG-CD2 3.42Å; F852-F1000 VanDerWaalsContact CG-CD2 3.42Å; F852-F1000 AromaticContact CG-CE2 3.95Å; F852-F1000 HydrophobicContact CG-CE2 3.95Å; F852-F1000 HydrophobicContact CG-CG 4.09Å; F852-F1000 HydrophobicContact CZ-CB 3.92Å; F852-F1000 HydrophobicContact CZ-CD2 4.45Å; F852-F1000 HydrophobicContact CZ-CG 4.18Å; L996-F1000 WeakPolarHBondContact O-CB 3.31Å; L996-F1000 PolarHBondContact O-N 3.41Å; G997-F1000 PolarHBondContact O-N 3.41Å; L998-F1000 VanDerWaalsContact C-N 3.28Å; L998-F1000 PolarHBondContact O-N 3.35Å; F1000-E1002 VanDerWaalsContact C-N 3.31Å; F1000-E1002 PolarHBondContact O-N 3.39Å; F1000-L1003 PolarHBondContact O-N 3.45Å; F1000-L1004 HydrophobicContact CD1-CD1 4.06Å; F1000-L1004 HydrophobicContact CD2-CG 4.42Å; F1000-L1004 HydrophobicContact CE1-CD1 3.63Å; F1000-L1004 HydrophobicContact CE1-CG 4.47Å; F1000-L1004 HydrophobicContact CE2-CD1 4.15Å; F1000-L1004 HydrophobicContact CE2-CD2 4.31Å; F1000-L1004 HydrophobicContact CE2-CG 4.13Å; F1000-L1004 HydrophobicContact CG-CD1 4.48Å; F1000-L1004 HydrophobicContact CZ-CD1 3.69Å; F1000-L1004 HydrophobicContact CZ-CD2 4.33Å; F1000-L1004 HydrophobicContact CZ-CG 4.15Å; F1000-L1004 WeakPolarHBondContact O-CG 3.38Å; F1000-L1004 PolarHBondContact O-N 2.87Å; F1000-E1036 HydrophobicContact CE1-CB 4.35Å; F1000-E1036 HydrophobicContact CE1-CG 4.36Å; F1000-E1036 HydrophobicContact CZ-CG 4.49Å; F1000-F1039 AromaticContact CD1-CD1 3.76Å; F1000-F1039 HydrophobicContact CD1-CD1 3.76Å; F1000-F1039 AromaticContact CD1-CE1 3.69Å; F1000-F1039 HydrophobicContact CD1-CE1 3.69Å; F1000-F1039 AromaticContact CE1-CD1 3.56Å; F1000-F1039 HydrophobicContact CE1-CD1 3.56Å; F1000-F1039 AromaticContact CE1-CE1 3.6Å; F1000-F1039 HydrophobicContact CE1-CE1 3.6Å; F1000-F1039 HydrophobicContact CZ-CE1 4.36Å; F1000-V1040 HydrophobicContact CD1-CG2 3.71Å; F1000-V1040 HydrophobicContact CE1-CG2 4.37Å; F1000-L1062 HydrophobicContact CE1-CD2 3.85Å; F1000-L1062 HydrophobicContact CZ-CD2 3.91Å
1001	I	95.1	Very high	92.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.1	-46.8	168.7	-66.9	168.1	0	0	0	110.2	G997 L998 L1003 L1004 I1005 L1017 A1020 L1025 V1040 L1044	G997-I1001 WeakPolarHBondContact O-CG1 3.48Å; G997-I1001 PolarHBondContact O-N 3.48Å; G997-I1001 VanDerWaalsContact O-N 3.12Å; L998-I1001 HydrophobicContact CD2-CD1 4.35Å; L998-I1001 PolarHBondContact O-N 3.4Å; I1001-L1003 VanDerWaalsContact C-N 3.26Å; I1001-L1003 PolarHBondContact O-N 3.13Å; I1001-L1004 PolarHBondContact O-N 2.88Å; I1001-L1004 VanDerWaalsContact O-N 3.13Å; I1001-I1005 HydrophobicContact CG2-CD1 3.67Å; I1001-I1005 HydrophobicContact CG2-CG1 4.04Å; I1001-I1005 WeakPolarHBondContact O-CB 3.43Å; I1001-I1005 PolarHBondContact O-N 3.06Å; I1001-L1017 HydrophobicContact CB-CD2 4.18Å; I1001-L1017 HydrophobicContact CG2-CD2 3.93Å; I1001-A1020 HydrophobicContact CD1-CB 3.4Å; I1001-A1020 VanDerWaalsContact CD1-CB 3.4Å; I1001-L1025 HydrophobicContact CD1-CD2 3.53Å; I1001-L1025 HydrophobicContact CG1-CD2 4.2Å; I1001-V1040 HydrophobicContact CD1-CG1 3.57Å; I1001-V1040 HydrophobicContact CG1-CG1 3.58Å; I1001-V1040 HydrophobicContact CG1-CG2 4.07Å; I1001-L1044 HydrophobicContact CD1-CD1 3.63Å
1002	E	94.7	Very high	92.7	Very high	4 Å²	4	27 Å²	27	2%	0.019	14%	0.143	C	C	.	.	H	α-helix	trans	-69.8	-22.8	-178.6	-163	176.3	-177.1	0	0	113.1	L833 R842 P874 Y976 L998 I999 F1000 F1007 R1013	L833-E1002 HydrophobicContact CD1-CG 3.83Å; L833-E1002 HydrophobicContact CD2-CG 4.41Å; L833-E1002 VanDerWaalsContact CD2-O 3.22Å; L833-E1002 WeakPolarHBondContact CD2-O 3.47Å; R842-E1002 PolarHBondContact NH2-O 2.81Å; P874-E1002 WeakPolarHBondContact CG-OE2 3.29Å; Y976-E1002 VanDerWaalsContact CE1-OE2 3.31Å; Y976-E1002 WeakPolarHBondContact CE1-OE2 3.47Å; Y976-E1002 VanDerWaalsContact CZ-OE2 3.3Å; Y976-E1002 VanDerWaalsContact OH-CD 3.29Å; Y976-E1002 PolarHBondContact OH-OE1 3.27Å; Y976-E1002 PolarHBondContact OH-OE2 3.36Å; L998-E1002 PolarHBondContact O-N 3.25Å; I999-E1002 PolarHBondContact O-N 3.17Å; F1000-E1002 VanDerWaalsContact C-N 3.31Å; F1000-E1002 PolarHBondContact O-N 3.39Å; E1002-F1007 HydrophobicContact CG-CD2 4.46Å; E1002-F1007 HydrophobicContact CG-CE2 4.13Å; E1002-R1013 IonicContact OE1-CZ 3.68Å; E1002-R1013 IonicContact OE1-NE 3.11Å; E1002-R1013 PolarHBondContact OE1-NE 2.98Å; E1002-R1013 IonicContact OE1-NH2 3.72Å
1003	L	95	Very high	92.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-74.5	-34.6	168.4	-78.3	168.9	0	0	0	112.7	L829 W832 L833 R842 L848 M851 F852 I855 I999 F1000 I1001	L829-L1003 HydrophobicContact CD1-CD2 4.27Å; W832-L1003 HydrophobicContact CZ3-CD2 4.38Å; L833-L1003 HydrophobicContact CD2-CD2 4.37Å; R842-L1003 PolarHBondContact NE-O 2.64Å; R842-L1003 PolarHBondContact NH2-O 3.04Å; L848-L1003 WeakPolarHBondContact CD1-O 3.31Å; L848-L1003 HydrophobicContact CD2-CD2 4.4Å; M851-L1003 HydrophobicContact CE-CD2 4.29Å; F852-L1003 HydrophobicContact CB-CD1 3.87Å; F852-L1003 HydrophobicContact CD2-CD1 4.12Å; F852-L1003 HydrophobicContact CG-CD1 4.45Å; I855-L1003 HydrophobicContact CD1-CD1 4.3Å; I999-L1003 HydrophobicContact CG2-CD1 4.23Å; I999-L1003 WeakPolarHBondContact O-CG 3.49Å; I999-L1003 PolarHBondContact O-N 2.97Å; F1000-L1003 PolarHBondContact O-N 3.45Å; I1001-L1003 VanDerWaalsContact C-N 3.26Å; I1001-L1003 PolarHBondContact O-N 3.13Å
1004	L	93	Very high	92.1	Very high	28 Å²	28	31.7 Å²	31.7	15%	0.147	17%	0.166	C	C	.	.	H	α-helix	trans	-90.5	-34	-178.4	-65.8	177.2	0	0	0	114.7	F1000 I1001 F1029 E1036	F1000-L1004 HydrophobicContact CD1-CD1 4.06Å; F1000-L1004 HydrophobicContact CD2-CG 4.42Å; F1000-L1004 HydrophobicContact CE1-CD1 3.63Å; F1000-L1004 HydrophobicContact CE1-CG 4.47Å; F1000-L1004 HydrophobicContact CE2-CD1 4.15Å; F1000-L1004 HydrophobicContact CE2-CD2 4.31Å; F1000-L1004 HydrophobicContact CE2-CG 4.13Å; F1000-L1004 HydrophobicContact CG-CD1 4.48Å; F1000-L1004 HydrophobicContact CZ-CD1 3.69Å; F1000-L1004 HydrophobicContact CZ-CD2 4.33Å; F1000-L1004 HydrophobicContact CZ-CG 4.15Å; F1000-L1004 WeakPolarHBondContact O-CG 3.38Å; F1000-L1004 PolarHBondContact O-N 2.87Å; I1001-L1004 PolarHBondContact O-N 2.88Å; I1001-L1004 VanDerWaalsContact O-N 3.13Å; L1004-F1029 HydrophobicContact CB-CE2 3.89Å; L1004-F1029 HydrophobicContact CB-CZ 4.38Å; L1004-F1029 HydrophobicContact CD1-CE2 4.16Å; L1004-F1029 HydrophobicContact CD1-CZ 3.9Å; L1004-E1036 HydrophobicContact CD1-CB 3.85Å; L1004-E1036 HydrophobicContact CD1-CG 4.04Å
1005	I	92.3	Very high	91.8	Very high	24 Å²	24	37.4 Å²	37.4	12%	0.123	19%	0.191	C	C	.	.	S	Bend	trans	-95	133.1	179.5	-55.2	-171.4	0	0	0	109.4	R842 I1001 F1007 T1016 P1026 F1029	R842-I1005 PolarHBondContact NH2-O 3.26Å; I1001-I1005 HydrophobicContact CG2-CD1 3.67Å; I1001-I1005 HydrophobicContact CG2-CG1 4.04Å; I1001-I1005 WeakPolarHBondContact O-CB 3.43Å; I1001-I1005 PolarHBondContact O-N 3.06Å; I1005-F1007 HydrophobicContact CB-CE1 4.22Å; I1005-F1007 HydrophobicContact CB-CE2 4.32Å; I1005-F1007 HydrophobicContact CB-CZ 3.87Å; I1005-F1007 HydrophobicContact CG2-CD1 3.99Å; I1005-F1007 HydrophobicContact CG2-CE1 3.43Å; I1005-F1007 VanDerWaalsContact CG2-CE1 3.43Å; I1005-F1007 HydrophobicContact CG2-CE2 4.31Å; I1005-F1007 HydrophobicContact CG2-CZ 3.62Å; I1005-T1016 HydrophobicContact CD1-CG2 4.31Å; I1005-P1026 HydrophobicContact CD1-CG 4.16Å; I1005-F1029 HydrophobicContact CD1-CB 4.2Å; I1005-F1029 HydrophobicContact CD1-CD2 3.7Å; I1005-F1029 HydrophobicContact CD1-CE2 4.23Å; I1005-F1029 HydrophobicContact CD1-CG 3.9Å; I1005-F1029 HydrophobicContact CG1-CD2 3.55Å; I1005-F1029 HydrophobicContact CG1-CE2 3.82Å; I1005-F1029 HydrophobicContact CG1-CG 4.29Å
1006	I	91.5	Very high	91.6	Very high	47 Å²	47	38.1 Å²	38.1	24%	0.241	20%	0.195	C	C	.	.			trans	-94.4	134.9	173.9	-57.3	-179.4	0	0	0	107.8	S837 P839 R842	S837-I1006 WeakPolarHBondContact O-CG2 3.25Å; P839-I1006 HydrophobicContact CB-CD1 4.38Å; P839-I1006 HydrophobicContact CG-CD1 4.31Å; R842-I1006 HydrophobicContact CB-CD1 3.79Å; R842-I1006 HydrophobicContact CG-CD1 3.97Å; R842-I1006 HydrophobicContact CG-CG1 4.28Å
1007	F	89.7	Confident	91.5	Very high	23 Å²	23	38.1 Å²	38.1	10%	0.101	20%	0.195	C	C	.	.			trans	-120.7	130.3	-178.9	-60.8	-62.9	0	0	0	110.4	E1002 I1005 E1012 R1013 T1016	E1002-F1007 HydrophobicContact CG-CD2 4.46Å; E1002-F1007 HydrophobicContact CG-CE2 4.13Å; I1005-F1007 HydrophobicContact CB-CE1 4.22Å; I1005-F1007 HydrophobicContact CB-CE2 4.32Å; I1005-F1007 HydrophobicContact CB-CZ 3.87Å; I1005-F1007 HydrophobicContact CG2-CD1 3.99Å; I1005-F1007 HydrophobicContact CG2-CE1 3.43Å; I1005-F1007 VanDerWaalsContact CG2-CE1 3.43Å; I1005-F1007 HydrophobicContact CG2-CE2 4.31Å; I1005-F1007 HydrophobicContact CG2-CZ 3.62Å; F1007-E1012 HydrophobicContact CD1-CG 4.01Å; F1007-R1013 HydrophobicContact CB-CB 3.94Å; F1007-R1013 HydrophobicContact CD1-CB 4.22Å; F1007-R1013 HydrophobicContact CD2-CB 3.73Å; F1007-R1013 HydrophobicContact CD2-CG 3.81Å; F1007-R1013 HydrophobicContact CE2-CB 4.26Å; F1007-R1013 HydrophobicContact CE2-CG 4.08Å; F1007-R1013 HydrophobicContact CG-CB 3.7Å; F1007-R1013 HydrophobicContact CG-CG 4.31Å; F1007-T1016 HydrophobicContact CE1-CG2 3.76Å; F1007-T1016 HydrophobicContact CZ-CG2 3.92Å
1008	N	83.6	Confident	91.3	Very high	115 Å²	115	41 Å²	41	62%	0.615	21%	0.213	S	C	*	.	S	Bend	trans	-85.7	-23.6	178.1	-70.2	-20	0	0	0	112	E1012	N1008-E1012 PolarHBondContact N-OE2 2.89Å
1009	T	85.3	Confident	91.1	Very high	49 Å²	49	46.4 Å²	46.4	30%	0.301	23%	0.233	S	C	.	.	S	Bend	trans	-137.4	152.3	178.4	69.4	0	0	0	0	112.9	M1011 E1012 R1013	T1009-M1011 PolarHBondContact O-N 2.84Å; T1009-E1012 PolarHBondContact N-OE2 3.24Å; T1009-E1012 PolarHBondContact O-N 3.39Å; T1009-E1012 WeakPolarHBondContact OG1-CB 3.46Å; T1009-E1012 PolarHBondContact OG1-N 2.73Å; T1009-E1012 VanDerWaalsContact OG1-N 3.08Å; T1009-R1013 PolarHBondContact O-N 2.95Å; T1009-R1013 VanDerWaalsContact O-N 3.08Å
1010	S	85.1	Confident	90.9	Very high	50 Å²	50	46.4 Å²	46.4	35%	0.35	23%	0.233	S	C	.	.	H	α-helix	trans	-60.5	-32.2	172.5	-61.7	0	0	0	0	112.6	I1014	S1010-I1014 WeakPolarHBondContact O-CB 3.45Å; S1010-I1014 WeakPolarHBondContact O-CD1 3.45Å; S1010-I1014 WeakPolarHBondContact O-CG1 3.48Å; S1010-I1014 PolarHBondContact O-N 3.13Å
1011	M	83.5	Confident	90.7	Very high	144 Å²	144	47 Å²	47	71%	0.709	24%	0.236	S	C	*	.	H	α-helix	trans	-67.9	-44.2	177.9	-174.8	177.8	-74.2	0	0	111.8	T1009 I1014 F1015	T1009-M1011 PolarHBondContact O-N 2.84Å; M1011-I1014 PolarHBondContact O-N 2.89Å; M1011-F1015 VanDerWaalsContact O-CB 3.27Å; M1011-F1015 WeakPolarHBondContact O-CB 3.49Å; M1011-F1015 PolarHBondContact O-N 2.91Å
1012	E	88.8	Confident	90.6	Very high	79 Å²	79	53 Å²	53	37%	0.369	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-44	174.5	-180	-172.7	-148.5	0	0	111.9	F1007 N1008 T1009 F1015 T1016	F1007-E1012 HydrophobicContact CD1-CG 4.01Å; N1008-E1012 PolarHBondContact N-OE2 2.89Å; T1009-E1012 PolarHBondContact N-OE2 3.24Å; T1009-E1012 PolarHBondContact O-N 3.39Å; T1009-E1012 WeakPolarHBondContact OG1-CB 3.46Å; T1009-E1012 PolarHBondContact OG1-N 2.73Å; T1009-E1012 VanDerWaalsContact OG1-N 3.08Å; E1012-F1015 PolarHBondContact O-N 3.29Å; E1012-T1016 VanDerWaalsContact O-CB 3.31Å; E1012-T1016 WeakPolarHBondContact O-CB 3.37Å; E1012-T1016 PolarHBondContact O-N 2.87Å; E1012-T1016 PolarHBondContact O-OG1 2.87Å
1013	R	91.9	Very high	90.4	Very high	18 Å²	18	57 Å²	57	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-57.5	-52.9	173.7	172.1	-179.9	162.3	-88.1	-1.4	111.8	Y976 E1002 F1007 T1009 T1016 L1017	Y976-R1013 PolarHBondContact OH-NH2 2.9Å; E1002-R1013 IonicContact OE1-CZ 3.68Å; E1002-R1013 IonicContact OE1-NE 3.11Å; E1002-R1013 PolarHBondContact OE1-NE 2.98Å; E1002-R1013 IonicContact OE1-NH2 3.72Å; F1007-R1013 HydrophobicContact CB-CB 3.94Å; F1007-R1013 HydrophobicContact CD1-CB 4.22Å; F1007-R1013 HydrophobicContact CD2-CB 3.73Å; F1007-R1013 HydrophobicContact CD2-CG 3.81Å; F1007-R1013 HydrophobicContact CE2-CB 4.26Å; F1007-R1013 HydrophobicContact CE2-CG 4.08Å; F1007-R1013 HydrophobicContact CG-CB 3.7Å; F1007-R1013 HydrophobicContact CG-CG 4.31Å; T1009-R1013 PolarHBondContact O-N 2.95Å; T1009-R1013 VanDerWaalsContact O-N 3.08Å; R1013-T1016 PolarHBondContact O-N 3.27Å; R1013-L1017 HydrophobicContact CG-CD1 3.9Å; R1013-L1017 WeakPolarHBondContact O-CB 3.39Å; R1013-L1017 WeakPolarHBondContact O-CG 3.04Å; R1013-L1017 PolarHBondContact O-N 2.9Å
1014	I	89	Confident	90.3	Very high	81 Å²	81	63 Å²	63	42%	0.415	31%	0.308	S	S	.	.	H	α-helix	trans	-61.5	-47.6	179.9	-70.2	163.7	0	0	0	110.3	L975 S1010 M1011 T1016 L1017 T1018	L975-I1014 HydrophobicContact CD1-CG2 4.45Å; L975-I1014 HydrophobicContact CD2-CG1 4.17Å; S1010-I1014 WeakPolarHBondContact O-CB 3.45Å; S1010-I1014 WeakPolarHBondContact O-CD1 3.45Å; S1010-I1014 WeakPolarHBondContact O-CG1 3.48Å; S1010-I1014 PolarHBondContact O-N 3.13Å; M1011-I1014 PolarHBondContact O-N 2.89Å; I1014-T1016 VanDerWaalsContact C-N 3.33Å; I1014-T1016 PolarHBondContact O-N 3.47Å; I1014-L1017 PolarHBondContact O-N 2.85Å; I1014-T1018 VanDerWaalsContact O-CB 3.23Å; I1014-T1018 WeakPolarHBondContact O-CB 3.45Å; I1014-T1018 PolarHBondContact O-N 2.85Å; I1014-T1018 PolarHBondContact O-OG1 3.42Å
1015	F	90	Very high	90.2	Very high	121 Å²	121	62.2 Å²	62.2	53%	0.531	30%	0.304	S	S	.	.	H	α-helix	trans	-59	-42.7	177.8	179.6	-100.1	0	0	0	112.4	M1011 E1012 R1019	M1011-F1015 VanDerWaalsContact O-CB 3.27Å; M1011-F1015 WeakPolarHBondContact O-CB 3.49Å; M1011-F1015 PolarHBondContact O-N 2.91Å; E1012-F1015 PolarHBondContact O-N 3.29Å; F1015-R1019 VanDerWaalsContact CE1-CD 3.45Å; F1015-R1019 WeakPolarHBondContact O-CB 3.23Å; F1015-R1019 WeakPolarHBondContact O-CD 3.39Å; F1015-R1019 WeakPolarHBondContact O-CG 3.49Å; F1015-R1019 PolarHBondContact O-N 2.82Å; F1015-R1019 VanDerWaalsContact O-N 3.15Å
1016	T	92.3	Very high	90.3	Very high	16 Å²	16	62.8 Å²	62.8	10%	0.098	31%	0.309	C	S	.	.	H	α-helix	trans	-70.5	-46.9	-179.1	-56.3	0	0	0	0	111.8	I1005 F1007 E1012 R1013 I1014 R1019 A1020 P1026	I1005-T1016 HydrophobicContact CD1-CG2 4.31Å; F1007-T1016 HydrophobicContact CE1-CG2 3.76Å; F1007-T1016 HydrophobicContact CZ-CG2 3.92Å; E1012-T1016 VanDerWaalsContact O-CB 3.31Å; E1012-T1016 WeakPolarHBondContact O-CB 3.37Å; E1012-T1016 PolarHBondContact O-N 2.87Å; E1012-T1016 PolarHBondContact O-OG1 2.87Å; R1013-T1016 PolarHBondContact O-N 3.27Å; I1014-T1016 VanDerWaalsContact C-N 3.33Å; I1014-T1016 PolarHBondContact O-N 3.47Å; T1016-R1019 PolarHBondContact O-N 3.14Å; T1016-A1020 WeakPolarHBondContact O-CB 3.45Å; T1016-A1020 PolarHBondContact O-N 3.19Å; T1016-P1026 HydrophobicContact CG2-CG 3.87Å
1017	L	93.8	Very high	90.2	Very high	1 Å²	1	68 Å²	68	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-67	-43.5	179.5	-68.4	175	0	0	0	111.6	L975 Y976 L998 I1001 R1013 I1014 R1019 A1020 K1021	L975-L1017 HydrophobicContact CD1-CB 3.95Å; L975-L1017 HydrophobicContact CD2-CB 4.39Å; L975-L1017 HydrophobicContact CD2-CD1 3.89Å; L975-L1017 HydrophobicContact CG-CB 4.14Å; L975-L1017 HydrophobicContact CG-CD1 4.3Å; Y976-L1017 HydrophobicContact CE1-CD1 4.5Å; L998-L1017 HydrophobicContact CB-CD2 4.44Å; L998-L1017 HydrophobicContact CD2-CD2 4.26Å; I1001-L1017 HydrophobicContact CB-CD2 4.18Å; I1001-L1017 HydrophobicContact CG2-CD2 3.93Å; R1013-L1017 HydrophobicContact CG-CD1 3.9Å; R1013-L1017 WeakPolarHBondContact O-CB 3.39Å; R1013-L1017 WeakPolarHBondContact O-CG 3.04Å; R1013-L1017 PolarHBondContact O-N 2.9Å; I1014-L1017 PolarHBondContact O-N 2.85Å; L1017-R1019 PolarHBondContact O-N 3.19Å; L1017-A1020 WeakPolarHBondContact O-CA 3.39Å; L1017-A1020 WeakPolarHBondContact O-CB 3.46Å; L1017-A1020 PolarHBondContact O-N 3.31Å; L1017-K1021 WeakPolarHBondContact O-CG 3.3Å; L1017-K1021 PolarHBondContact O-N 2.7Å
1018	T	92.2	Very high	90.2	Very high	60 Å²	60	73 Å²	73	37%	0.368	35%	0.354	S	S	.	.	H	α-helix	trans	-59.7	-34.1	174.2	-64	0	0	0	0	112.5	L975 I1014 H1022	L975-T1018 WeakPolarHBondContact CD1-OG1 3.27Å; I1014-T1018 VanDerWaalsContact O-CB 3.23Å; I1014-T1018 WeakPolarHBondContact O-CB 3.45Å; I1014-T1018 PolarHBondContact O-N 2.85Å; I1014-T1018 PolarHBondContact O-OG1 3.42Å; T1018-H1022 PolarHBondContact O-ND1 2.96Å
1019	R	93.1	Very high	90.6	Very high	114 Å²	114	68.1 Å²	68.1	43%	0.43	33%	0.327	S	S	.	.	H	α-helix	trans	-75.1	-34.1	172.6	-71.3	171.4	64	117.7	1	112.6	F1015 T1016 L1017 K1021 H1022 Q1023 K1024	F1015-R1019 VanDerWaalsContact CE1-CD 3.45Å; F1015-R1019 WeakPolarHBondContact O-CB 3.23Å; F1015-R1019 WeakPolarHBondContact O-CD 3.39Å; F1015-R1019 WeakPolarHBondContact O-CG 3.49Å; F1015-R1019 PolarHBondContact O-N 2.82Å; F1015-R1019 VanDerWaalsContact O-N 3.15Å; T1016-R1019 PolarHBondContact O-N 3.14Å; L1017-R1019 PolarHBondContact O-N 3.19Å; R1019-K1021 VanDerWaalsContact C-N 3.34Å; R1019-K1021 PolarHBondContact O-N 2.92Å; R1019-H1022 CarbonylContact O-C 3.5Å; R1019-H1022 WeakPolarHBondContact O-CA 3.06Å; R1019-H1022 WeakPolarHBondContact O-CB 3.4Å; R1019-H1022 PolarHBondContact O-N 2.95Å; R1019-Q1023 PolarHBondContact O-N 3.47Å; R1019-K1024 HydrophobicContact CB-CB 4.2Å; R1019-K1024 WeakPolarHBondContact CB-O 3.44Å; R1019-K1024 WeakPolarHBondContact O-CB 3.39Å; R1019-K1024 PolarHBondContact O-N 3.09Å
1020	A	93.7	Very high	90.9	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.8	-36.9	173.6	0	0	0	0	0	112.9	L998 I1001 T1016 L1017 H1022 Q1023 L1025 L1044	L998-A1020 HydrophobicContact CD2-CB 3.95Å; I1001-A1020 HydrophobicContact CD1-CB 3.4Å; I1001-A1020 VanDerWaalsContact CD1-CB 3.4Å; T1016-A1020 WeakPolarHBondContact O-CB 3.45Å; T1016-A1020 PolarHBondContact O-N 3.19Å; L1017-A1020 WeakPolarHBondContact O-CA 3.39Å; L1017-A1020 WeakPolarHBondContact O-CB 3.46Å; L1017-A1020 PolarHBondContact O-N 3.31Å; A1020-H1022 PolarHBondContact O-N 3.39Å; A1020-H1022 VanDerWaalsContact O-N 3.09Å; A1020-Q1023 WeakPolarHBondContact O-CA 3.48Å; A1020-Q1023 PolarHBondContact O-N 2.91Å; A1020-L1025 HydrophobicContact CB-CD2 3.74Å; A1020-L1044 HydrophobicContact CB-CD1 4.16Å
1021	K	92.4	Very high	91.1	Very high	14 Å²	14	73.2 Å²	73.2	6%	0.061	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.2	170.4	-60.8	-175.8	79	169.5	0	112.9	D974 M977 E982 F994 L998 L1017 R1019	D974-K1021 PolarHBondContact O-NZ 2.78Å; M977-K1021 WeakPolarHBondContact O-CE 3.28Å; M977-K1021 PolarHBondContact O-NZ 2.91Å; E982-K1021 IonicContact OE1-NZ 3.29Å; E982-K1021 PolarHBondContact OE1-NZ 3.24Å; E982-K1021 WeakPolarHBondContact OE2-CE 3.48Å; E982-K1021 IonicContact OE2-NZ 2.75Å; E982-K1021 PolarHBondContact OE2-NZ 3.34Å; F994-K1021 HydrophobicContact CE1-CG 4.15Å; F994-K1021 HydrophobicContact CZ-CB 4.1Å; F994-K1021 HydrophobicContact CZ-CG 4.2Å; L998-K1021 HydrophobicContact CD1-CG 4.05Å; L998-K1021 HydrophobicContact CD2-CG 4.12Å; L1017-K1021 WeakPolarHBondContact O-CG 3.3Å; L1017-K1021 PolarHBondContact O-N 2.7Å; R1019-K1021 VanDerWaalsContact C-N 3.34Å; R1019-K1021 PolarHBondContact O-N 2.92Å
1022	H	91.1	Very high	91.4	Very high	125 Å²	125	70.8 Å²	70.8	58%	0.579	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	22.1	177	-61.7	87	0	0	0	113	T1018 R1019 A1020 K1024	T1018-H1022 PolarHBondContact O-ND1 2.96Å; R1019-H1022 CarbonylContact O-C 3.5Å; R1019-H1022 WeakPolarHBondContact O-CA 3.06Å; R1019-H1022 WeakPolarHBondContact O-CB 3.4Å; R1019-H1022 PolarHBondContact O-N 2.95Å; A1020-H1022 PolarHBondContact O-N 3.39Å; A1020-H1022 VanDerWaalsContact O-N 3.09Å; H1022-K1024 HydrophobicContact CB-CD 4.41Å; H1022-K1024 WeakPolarHBondContact O-CG 3.27Å; H1022-K1024 PolarHBondContact O-N 3.49Å; H1022-K1024 VanDerWaalsContact O-N 3.17Å
1023	Q	90.9	Very high	91.5	Very high	88 Å²	88	68.1 Å²	68.1	41%	0.411	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	22.9	-178	-63.4	-175	-2.5	0	0	115.3	R1019 A1020 L1041 L1044	R1019-Q1023 PolarHBondContact O-N 3.47Å; A1020-Q1023 WeakPolarHBondContact O-CA 3.48Å; A1020-Q1023 PolarHBondContact O-N 2.91Å; Q1023-L1041 HydrophobicContact CB-CD2 3.7Å; Q1023-L1041 HydrophobicContact CG-CD2 3.9Å; Q1023-L1044 PolarHBondContact NE2-O 3.4Å
1024	K	92.4	Very high	91.4	Very high	125 Å²	125	70.8 Å²	70.8	54%	0.543	35%	0.351	S	S	.	.			trans	-108.3	77	-177.3	-70.8	163.8	-173	171.3	0	111.9	R1019 H1022	R1019-K1024 HydrophobicContact CB-CB 4.2Å; R1019-K1024 WeakPolarHBondContact CB-O 3.44Å; R1019-K1024 WeakPolarHBondContact O-CB 3.39Å; R1019-K1024 PolarHBondContact O-N 3.09Å; H1022-K1024 HydrophobicContact CB-CD 4.41Å; H1022-K1024 WeakPolarHBondContact O-CG 3.27Å; H1022-K1024 PolarHBondContact O-N 3.49Å; H1022-K1024 VanDerWaalsContact O-N 3.17Å
1025	L	92.3	Very high	91.5	Very high	12 Å²	12	74.3 Å²	74.3	6%	0.063	36%	0.363	C	S	.	.			trans	-72.1	160.9	174.5	-57.8	175.2	0	0	0	112.1	I1001 A1020 F1029 I1030 T1037 V1040 L1041	I1001-L1025 HydrophobicContact CD1-CD2 3.53Å; I1001-L1025 HydrophobicContact CG1-CD2 4.2Å; A1020-L1025 HydrophobicContact CB-CD2 3.74Å; L1025-F1029 HydrophobicContact CB-CD1 4.36Å; L1025-F1029 HydrophobicContact CD1-CD1 4.06Å; L1025-F1029 HydrophobicContact CD1-CE1 4.06Å; L1025-I1030 HydrophobicContact CB-CD1 4.12Å; L1025-I1030 HydrophobicContact CB-CG1 4.02Å; L1025-T1037 HydrophobicContact CD1-CG2 4.18Å; L1025-V1040 HydrophobicContact CD1-CG1 4.08Å; L1025-V1040 HydrophobicContact CD2-CG1 4.37Å; L1025-L1041 HydrophobicContact CD1-CD2 4.47Å; L1025-L1041 HydrophobicContact CD1-CG 4.44Å
1026	P	92.9	Very high	91.6	Very high	37 Å²	37	69.1 Å²	69.1	24%	0.24	34%	0.341	C	S	.	.			trans	-59.2	144.3	171.2	-23.4	35.1	0	0	0	111.9	I1005 T1016 E1028 F1029 I1030	I1005-P1026 HydrophobicContact CD1-CG 4.16Å; T1016-P1026 HydrophobicContact CG2-CG 3.87Å; P1026-E1028 VanDerWaalsContact C-N 3.25Å; P1026-E1028 PolarHBondContact O-N 3.01Å; P1026-F1029 HydrophobicContact CB-CB 4.08Å; P1026-F1029 HydrophobicContact CG-CB 4.39Å; P1026-F1029 WeakPolarHBondContact O-CB 3.41Å; P1026-F1029 PolarHBondContact O-N 3.49Å; P1026-I1030 WeakPolarHBondContact O-CG1 3.17Å; P1026-I1030 PolarHBondContact O-N 3.11Å; P1026-I1030 VanDerWaalsContact O-N 3.08Å
1027	K	90.1	Very high	91.6	Very high	155 Å²	155	69 Å²	69	67%	0.674	34%	0.34	S	S	*	.	H	α-helix	trans	-65.2	-37.2	-177.7	-65.4	179.5	178.4	179.6	0	111.3	F1029 I1030 I1031	K1027-F1029 VanDerWaalsContact C-N 3.33Å; K1027-I1030 PolarHBondContact O-N 3.09Å; K1027-I1031 WeakPolarHBondContact O-CD1 3.49Å; K1027-I1031 VanDerWaalsContact O-CG1 3.27Å; K1027-I1031 WeakPolarHBondContact O-CG1 3.35Å; K1027-I1031 PolarHBondContact O-N 3.3Å
1028	E	89.1	Confident	91.6	Very high	130 Å²	130	74 Å²	74	61%	0.607	36%	0.363	S	S	*	.	H	α-helix	trans	-64.2	-41.1	179.7	-56.6	66.2	-143.5	0	0	109.6	P1026 C1032	P1026-E1028 VanDerWaalsContact C-N 3.25Å; P1026-E1028 PolarHBondContact O-N 3.01Å; E1028-C1032 WeakPolarHBondContact O-CB 3.3Å; E1028-C1032 PolarHBondContact O-N 2.84Å; E1028-C1032 VanDerWaalsContact O-N 3.1Å; E1028-C1032 PolarHBondContact O-SG 3.22Å; E1028-C1032 VanDerWaalsContact O-SG 3.37Å
1029	F	92.1	Very high	91.7	Very high	12 Å²	12	72.2 Å²	72.2	5%	0.053	35%	0.35	C	S	.	.	H	α-helix	trans	-65.1	-46.5	173.1	-177.8	-94.6	0	0	0	111.7	L1004 I1005 L1025 P1026 K1027 I1031 C1032 N1033 E1036 T1037	L1004-F1029 HydrophobicContact CB-CE2 3.89Å; L1004-F1029 HydrophobicContact CB-CZ 4.38Å; L1004-F1029 HydrophobicContact CD1-CE2 4.16Å; L1004-F1029 HydrophobicContact CD1-CZ 3.9Å; I1005-F1029 HydrophobicContact CD1-CB 4.2Å; I1005-F1029 HydrophobicContact CD1-CD2 3.7Å; I1005-F1029 HydrophobicContact CD1-CE2 4.23Å; I1005-F1029 HydrophobicContact CD1-CG 3.9Å; I1005-F1029 HydrophobicContact CG1-CD2 3.55Å; I1005-F1029 HydrophobicContact CG1-CE2 3.82Å; I1005-F1029 HydrophobicContact CG1-CG 4.29Å; L1025-F1029 HydrophobicContact CB-CD1 4.36Å; L1025-F1029 HydrophobicContact CD1-CD1 4.06Å; L1025-F1029 HydrophobicContact CD1-CE1 4.06Å; P1026-F1029 HydrophobicContact CB-CB 4.08Å; P1026-F1029 HydrophobicContact CG-CB 4.39Å; P1026-F1029 WeakPolarHBondContact O-CB 3.41Å; P1026-F1029 PolarHBondContact O-N 3.49Å; K1027-F1029 VanDerWaalsContact C-N 3.33Å; F1029-I1031 VanDerWaalsContact C-N 3.34Å; F1029-I1031 PolarHBondContact O-N 3.26Å; F1029-C1032 PolarHBondContact O-N 2.79Å; F1029-N1033 HydrophobicContact CD2-CB 4.33Å; F1029-N1033 WeakPolarHBondContact CD2-ND2 3.46Å; F1029-N1033 HydrophobicContact CE1-CB 4.28Å; F1029-N1033 HydrophobicContact CE2-CB 4Å; F1029-N1033 HydrophobicContact CZ-CB 3.98Å; F1029-N1033 WeakPolarHBondContact O-CA 3.21Å; F1029-N1033 WeakPolarHBondContact O-CB 3.02Å; F1029-N1033 PolarHBondContact O-N 3.5Å; F1029-N1033 PolarHBondContact O-ND2 3.02Å; F1029-E1036 HydrophobicContact CZ-CB 4.47Å; F1029-T1037 WeakPolarHBondContact CE1-OG1 3.46Å
1030	I	92.4	Very high	91.8	Very high	73 Å²	73	66.8 Å²	66.8	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-59.4	-43.5	179.8	-66.9	162.7	0	0	0	111.6	L1025 P1026 K1027 T1037	L1025-I1030 HydrophobicContact CB-CD1 4.12Å; L1025-I1030 HydrophobicContact CB-CG1 4.02Å; P1026-I1030 WeakPolarHBondContact O-CG1 3.17Å; P1026-I1030 PolarHBondContact O-N 3.11Å; P1026-I1030 VanDerWaalsContact O-N 3.08Å; K1027-I1030 PolarHBondContact O-N 3.09Å; I1030-T1037 HydrophobicContact CB-CG2 4.47Å; I1030-T1037 HydrophobicContact CG1-CG2 3.99Å; I1030-T1037 HydrophobicContact CG2-CG2 4.31Å
1031	I	89.6	Confident	91.8	Very high	133 Å²	133	69.3 Å²	69.3	68%	0.682	34%	0.343	S	S	*	.	H	α-helix	trans	-68.9	-43.6	-179.9	-68.3	163.7	0	0	0	111.2	K1027 F1029	K1027-I1031 WeakPolarHBondContact O-CD1 3.49Å; K1027-I1031 VanDerWaalsContact O-CG1 3.27Å; K1027-I1031 WeakPolarHBondContact O-CG1 3.35Å; K1027-I1031 PolarHBondContact O-N 3.3Å; F1029-I1031 VanDerWaalsContact C-N 3.34Å; F1029-I1031 PolarHBondContact O-N 3.26Å
1032	C	89.4	Confident	92	Very high	93 Å²	93	73.7 Å²	73.7	63%	0.628	36%	0.362	S	S	*	.	H	α-helix	trans	-84.2	-16.8	-175.3	-65.6	0	0	0	0	114.5	E1028 F1029	E1028-C1032 WeakPolarHBondContact O-CB 3.3Å; E1028-C1032 PolarHBondContact O-N 2.84Å; E1028-C1032 VanDerWaalsContact O-N 3.1Å; E1028-C1032 PolarHBondContact O-SG 3.22Å; E1028-C1032 VanDerWaalsContact O-SG 3.37Å; F1029-C1032 PolarHBondContact O-N 2.79Å
1033	N	89.9	Confident	92.2	Very high	23 Å²	23	67.8 Å²	67.8	12%	0.123	34%	0.335	C	S	.	.			trans	-138.3	61	-172.3	-46.2	-90.5	0	0	0	111	R845 F1029 E1036 T1037	R845-N1033 PolarHBondContact NH1-OD1 2.68Å; R845-N1033 PolarHBondContact NH2-OD1 2.88Å; F1029-N1033 HydrophobicContact CD2-CB 4.33Å; F1029-N1033 WeakPolarHBondContact CD2-ND2 3.46Å; F1029-N1033 HydrophobicContact CE1-CB 4.28Å; F1029-N1033 HydrophobicContact CE2-CB 4Å; F1029-N1033 HydrophobicContact CZ-CB 3.98Å; F1029-N1033 WeakPolarHBondContact O-CA 3.21Å; F1029-N1033 WeakPolarHBondContact O-CB 3.02Å; F1029-N1033 PolarHBondContact O-N 3.5Å; F1029-N1033 PolarHBondContact O-ND2 3.02Å; N1033-E1036 HydrophobicContact CB-CB 4.3Å; N1033-T1037 VanDerWaalsContact O-CB 3.22Å; N1033-T1037 WeakPolarHBondContact O-CB 3.28Å; N1033-T1037 PolarHBondContact O-N 2.92Å; N1033-T1037 PolarHBondContact O-OG1 3.44Å
1034	P	91	Very high	92.5	Very high	74 Å²	74	63.7 Å²	63.7	48%	0.481	32%	0.316	S	S	.	.	H	α-helix	trans	-66.7	-40.9	-171.4	25.6	-34.5	0	0	0	113.2	T1037 E1038	P1034-T1037 WeakPolarHBondContact O-CB 3.19Å; P1034-T1037 PolarHBondContact O-N 3.06Å; P1034-E1038 PolarHBondContact O-N 2.61Å
1035	F	90.2	Very high	92.7	Very high	155 Å²	155	59.3 Å²	59.3	68%	0.68	30%	0.298	S	S	*	.	H	α-helix	trans	-67.3	-42.1	179.4	-61.5	-69.7	0	0	0	111.9	T1037 E1038 F1039	F1035-T1037 VanDerWaalsContact C-N 3.35Å; F1035-E1038 PolarHBondContact O-N 3.19Å; F1035-F1039 WeakPolarHBondContact O-CB 3.25Å; F1035-F1039 PolarHBondContact O-N 2.97Å
1036	E	92.5	Very high	92.7	Very high	12 Å²	12	65 Å²	65	6%	0.056	32%	0.32	C	S	.	.	H	α-helix	trans	-72.8	-30.4	177.8	-61.1	80.1	172.1	0	0	111.6	R845 F1000 L1004 F1029 N1033 F1039 V1040 L1062	R845-E1036 IonicContact CZ-OE1 2.69Å; R845-E1036 IonicContact CZ-OE2 3.87Å; R845-E1036 IonicContact NE-OE1 2.73Å; R845-E1036 PolarHBondContact NE-OE1 3.46Å; R845-E1036 IonicContact NH2-OE1 3.66Å; R845-E1036 PolarHBondContact NH2-OE1 2.79Å; R845-E1036 IonicContact NH2-OE2 2.67Å; R845-E1036 PolarHBondContact NH2-OE2 2.97Å; F1000-E1036 HydrophobicContact CE1-CB 4.35Å; F1000-E1036 HydrophobicContact CE1-CG 4.36Å; F1000-E1036 HydrophobicContact CZ-CG 4.49Å; L1004-E1036 HydrophobicContact CD1-CB 3.85Å; L1004-E1036 HydrophobicContact CD1-CG 4.04Å; F1029-E1036 HydrophobicContact CZ-CB 4.47Å; N1033-E1036 HydrophobicContact CB-CB 4.3Å; E1036-F1039 PolarHBondContact O-N 3.12Å; E1036-V1040 WeakPolarHBondContact O-CB 3.36Å; E1036-V1040 WeakPolarHBondContact O-CG2 3.45Å; E1036-V1040 PolarHBondContact O-N 2.9Å; E1036-L1062 HydrophobicContact CG-CD1 3.83Å; E1036-L1062 HydrophobicContact CG-CD2 3.86Å; E1036-L1062 WeakPolarHBondContact OE1-CD1 3.47Å
1037	T	93.5	Very high	92.7	Very high	12 Å²	12	66 Å²	66	7%	0.074	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-49.8	169.1	-68.5	0	0	0	0	110.9	L1025 F1029 I1030 N1033 P1034 F1035 F1039 V1040 L1041	L1025-T1037 HydrophobicContact CD1-CG2 4.18Å; F1029-T1037 WeakPolarHBondContact CE1-OG1 3.46Å; I1030-T1037 HydrophobicContact CB-CG2 4.47Å; I1030-T1037 HydrophobicContact CG1-CG2 3.99Å; I1030-T1037 HydrophobicContact CG2-CG2 4.31Å; N1033-T1037 VanDerWaalsContact O-CB 3.22Å; N1033-T1037 WeakPolarHBondContact O-CB 3.28Å; N1033-T1037 PolarHBondContact O-N 2.92Å; N1033-T1037 PolarHBondContact O-OG1 3.44Å; P1034-T1037 WeakPolarHBondContact O-CB 3.19Å; P1034-T1037 PolarHBondContact O-N 3.06Å; F1035-T1037 VanDerWaalsContact C-N 3.35Å; T1037-F1039 VanDerWaalsContact C-N 3.32Å; T1037-F1039 PolarHBondContact O-N 2.94Å; T1037-V1040 PolarHBondContact O-N 3.47Å; T1037-L1041 HydrophobicContact CG2-CD1 3.82Å; T1037-L1041 HydrophobicContact CG2-CG 4.49Å; T1037-L1041 WeakPolarHBondContact O-CB 3.45Å; T1037-L1041 WeakPolarHBondContact O-CG 2.95Å; T1037-L1041 PolarHBondContact O-N 2.99Å
1038	E	93.1	Very high	92.8	Very high	106 Å²	106	60 Å²	60	50%	0.495	30%	0.3	S	S	.	.	H	α-helix	trans	-60.2	-42.6	176.8	-165.8	-159.2	127.9	0	0	111.8	P1034 F1035 K1042	P1034-E1038 PolarHBondContact O-N 2.61Å; F1035-E1038 PolarHBondContact O-N 3.19Å; E1038-K1042 WeakPolarHBondContact O-CG 3.16Å; E1038-K1042 PolarHBondContact O-N 3.4Å; E1038-K1042 WeakPolarHBondContact OE1-CE 3.48Å; E1038-K1042 IonicContact OE1-NZ 3.84Å; E1038-K1042 PolarHBondContact OE1-NZ 3.24Å
1039	F	94.4	Very high	93	Very high	23 Å²	23	59.4 Å²	59.4	10%	0.101	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-50.4	177.6	178.6	-99.7	0	0	0	112.4	F852 F1000 F1035 E1036 T1037 L1041 K1042 L1043 I1057 S1060 L1062 I1063	F852-F1039 AromaticContact CE1-CE1 3.83Å; F852-F1039 HydrophobicContact CE1-CE1 3.83Å; F852-F1039 AromaticContact CE1-CZ 3.97Å; F852-F1039 HydrophobicContact CE1-CZ 3.97Å; F1000-F1039 AromaticContact CD1-CD1 3.76Å; F1000-F1039 HydrophobicContact CD1-CD1 3.76Å; F1000-F1039 AromaticContact CD1-CE1 3.69Å; F1000-F1039 HydrophobicContact CD1-CE1 3.69Å; F1000-F1039 AromaticContact CE1-CD1 3.56Å; F1000-F1039 HydrophobicContact CE1-CD1 3.56Å; F1000-F1039 AromaticContact CE1-CE1 3.6Å; F1000-F1039 HydrophobicContact CE1-CE1 3.6Å; F1000-F1039 HydrophobicContact CZ-CE1 4.36Å; F1035-F1039 WeakPolarHBondContact O-CB 3.25Å; F1035-F1039 PolarHBondContact O-N 2.97Å; E1036-F1039 PolarHBondContact O-N 3.12Å; T1037-F1039 VanDerWaalsContact C-N 3.32Å; T1037-F1039 PolarHBondContact O-N 2.94Å; F1039-L1041 VanDerWaalsContact C-N 3.34Å; F1039-L1041 PolarHBondContact O-N 3.28Å; F1039-K1042 WeakPolarHBondContact O-CB 3.26Å; F1039-K1042 PolarHBondContact O-N 3.34Å; F1039-L1043 HydrophobicContact CD1-CD1 4.15Å; F1039-L1043 HydrophobicContact CE1-CD1 3.82Å; F1039-L1043 HydrophobicContact CZ-CD1 4.37Å; F1039-L1043 PolarHBondContact O-N 2.91Å; F1039-I1057 HydrophobicContact CE2-CG2 4.05Å; F1039-I1057 HydrophobicContact CZ-CG2 3.61Å; F1039-S1060 WeakPolarHBondContact CE2-OG 3.49Å; F1039-L1062 HydrophobicContact CB-CD2 4.12Å; F1039-L1062 HydrophobicContact CD1-CD2 3.63Å; F1039-L1062 HydrophobicContact CD2-CD2 4.12Å; F1039-L1062 HydrophobicContact CE1-CD2 3.89Å; F1039-L1062 HydrophobicContact CE2-CD2 4.37Å; F1039-L1062 HydrophobicContact CG-CD2 3.72Å; F1039-L1062 HydrophobicContact CZ-CD2 4.23Å; F1039-I1063 HydrophobicContact CE2-CG1 4.37Å; F1039-I1063 HydrophobicContact CZ-CD1 4.01Å; F1039-I1063 HydrophobicContact CZ-CG1 3.99Å
1040	V	94.8	Very high	93.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-59.2	-43.6	176.9	162.8	0	0	0	0	111.3	F1000 I1001 L1025 E1036 T1037 K1042 L1043 L1044	F1000-V1040 HydrophobicContact CD1-CG2 3.71Å; F1000-V1040 HydrophobicContact CE1-CG2 4.37Å; I1001-V1040 HydrophobicContact CD1-CG1 3.57Å; I1001-V1040 HydrophobicContact CG1-CG1 3.58Å; I1001-V1040 HydrophobicContact CG1-CG2 4.07Å; L1025-V1040 HydrophobicContact CD1-CG1 4.08Å; L1025-V1040 HydrophobicContact CD2-CG1 4.37Å; E1036-V1040 WeakPolarHBondContact O-CB 3.36Å; E1036-V1040 WeakPolarHBondContact O-CG2 3.45Å; E1036-V1040 PolarHBondContact O-N 2.9Å; T1037-V1040 PolarHBondContact O-N 3.47Å; V1040-K1042 VanDerWaalsContact C-N 3.25Å; V1040-K1042 PolarHBondContact O-N 3.26Å; V1040-L1043 WeakPolarHBondContact O-CB 3.48Å; V1040-L1043 PolarHBondContact O-N 2.72Å; V1040-L1044 HydrophobicContact CG1-CD1 3.82Å; V1040-L1044 HydrophobicContact CG1-CG 4.29Å; V1040-L1044 WeakPolarHBondContact O-CG 3.48Å; V1040-L1044 PolarHBondContact O-N 3.14Å
1041	L	94.8	Very high	93.3	Very high	53 Å²	53	61.5 Å²	61.5	28%	0.277	31%	0.311	S	S	.	.	H	α-helix	trans	-64.8	-29.2	179.6	-71.2	171.4	0	0	0	112.7	Q1023 L1025 T1037 F1039 L1044 D1045	Q1023-L1041 HydrophobicContact CB-CD2 3.7Å; Q1023-L1041 HydrophobicContact CG-CD2 3.9Å; L1025-L1041 HydrophobicContact CD1-CD2 4.47Å; L1025-L1041 HydrophobicContact CD1-CG 4.44Å; T1037-L1041 HydrophobicContact CG2-CD1 3.82Å; T1037-L1041 HydrophobicContact CG2-CG 4.49Å; T1037-L1041 WeakPolarHBondContact O-CB 3.45Å; T1037-L1041 WeakPolarHBondContact O-CG 2.95Å; T1037-L1041 PolarHBondContact O-N 2.99Å; F1039-L1041 VanDerWaalsContact C-N 3.34Å; F1039-L1041 PolarHBondContact O-N 3.28Å; L1041-L1044 CarbonylContact O-C 3.52Å; L1041-L1044 PolarHBondContact O-N 3.26Å; L1041-D1045 PolarHBondContact O-N 3.46Å
1042	K	95.1	Very high	93.6	Very high	107 Å²	107	56.9 Å²	56.9	47%	0.465	29%	0.29	S	S	.	.	H	α-helix	trans	-71.6	-32.7	170.8	-72.1	165.9	172.3	174.6	0	113.1	E1038 F1039 V1040 R1051 P1052	E1038-K1042 WeakPolarHBondContact O-CG 3.16Å; E1038-K1042 PolarHBondContact O-N 3.4Å; E1038-K1042 WeakPolarHBondContact OE1-CE 3.48Å; E1038-K1042 IonicContact OE1-NZ 3.84Å; E1038-K1042 PolarHBondContact OE1-NZ 3.24Å; F1039-K1042 WeakPolarHBondContact O-CB 3.26Å; F1039-K1042 PolarHBondContact O-N 3.34Å; V1040-K1042 VanDerWaalsContact C-N 3.25Å; V1040-K1042 PolarHBondContact O-N 3.26Å; K1042-R1051 WeakPolarHBondContact O-CA 3.39Å; K1042-P1052 WeakPolarHBondContact O-CD 3.43Å
1043	L	96.5	Very high	93.9	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-72.5	-34.2	172.6	-58.2	-179.3	0	0	0	111.6	F852 I993 F1039 V1040 R1051 P1052 I1057	F852-L1043 HydrophobicContact CZ-CD1 4.17Å; I993-L1043 HydrophobicContact CG2-CD2 3.77Å; F1039-L1043 HydrophobicContact CD1-CD1 4.15Å; F1039-L1043 HydrophobicContact CE1-CD1 3.82Å; F1039-L1043 HydrophobicContact CZ-CD1 4.37Å; F1039-L1043 PolarHBondContact O-N 2.91Å; V1040-L1043 WeakPolarHBondContact O-CB 3.48Å; V1040-L1043 PolarHBondContact O-N 2.72Å; L1043-R1051 WeakPolarHBondContact O-CD 3.21Å; L1043-P1052 HydrophobicContact CD2-CG 3.64Å; L1043-I1057 HydrophobicContact CD2-CD1 3.45Å; L1043-I1057 VanDerWaalsContact CD2-CD1 3.45Å; L1043-I1057 HydrophobicContact CD2-CG1 3.91Å
1044	L	96.6	Very high	94.1	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	31.5	-178.6	-56.3	-175.6	0	0	0	113.6	F994 L998 I1001 A1020 Q1023 V1040 L1041	F994-L1044 HydrophobicContact CD1-CD2 4.18Å; F994-L1044 HydrophobicContact CD2-CB 4.41Å; F994-L1044 HydrophobicContact CD2-CD2 3.75Å; F994-L1044 HydrophobicContact CE1-CD2 4.25Å; F994-L1044 HydrophobicContact CE2-CB 4.1Å; F994-L1044 HydrophobicContact CE2-CD2 3.81Å; F994-L1044 HydrophobicContact CG-CD2 3.95Å; F994-L1044 HydrophobicContact CZ-CD2 4.07Å; F994-L1044 WeakPolarHBondContact O-CD2 3.33Å; L998-L1044 HydrophobicContact CD2-CD1 3.92Å; L998-L1044 HydrophobicContact CD2-CD2 4.14Å; L998-L1044 HydrophobicContact CG-CD1 4.5Å; L998-L1044 HydrophobicContact CG-CD2 3.87Å; I1001-L1044 HydrophobicContact CD1-CD1 3.63Å; A1020-L1044 HydrophobicContact CB-CD1 4.16Å; Q1023-L1044 PolarHBondContact NE2-O 3.4Å; V1040-L1044 HydrophobicContact CG1-CD1 3.82Å; V1040-L1044 HydrophobicContact CG1-CG 4.29Å; V1040-L1044 WeakPolarHBondContact O-CG 3.48Å; V1040-L1044 PolarHBondContact O-N 3.14Å; L1041-L1044 CarbonylContact O-C 3.52Å; L1041-L1044 PolarHBondContact O-N 3.26Å
1045	D	95.9	Very high	94.2	Very high	33 Å²	33	54.4 Å²	54.4	18%	0.176	27%	0.27	C	S	.	.			trans	-67.2	138.3	169.4	-153.8	-62.2	0	0	0	110.5	L1041 D1047 K1050 R1051	L1041-D1045 PolarHBondContact O-N 3.46Å; D1045-D1047 PolarHBondContact O-N 3.25Å; D1045-D1047 WeakPolarHBondContact OD1-CB 3.45Å; D1045-D1047 PolarHBondContact OD1-N 3.3Å; D1045-K1050 HydrophobicContact CB-CB 4.14Å; D1045-K1050 IonicContact OD1-NZ 3.64Å; D1045-K1050 PolarHBondContact OD1-NZ 3.32Å; D1045-K1050 VanDerWaalsContact OD2-CD 3.29Å; D1045-K1050 WeakPolarHBondContact OD2-CD 3.5Å; D1045-K1050 IonicContact OD2-NZ 3.62Å; D1045-R1051 HydrophobicContact CB-CG 4.15Å; D1045-R1051 PolarHBondContact O-NE 2.93Å; D1045-R1051 PolarHBondContact O-NH2 3.3Å; D1045-R1051 VanDerWaalsContact O-NH2 3.08Å
1046	Y	92.4	Very high	94.4	Very high	133 Å²	133	49.6 Å²	49.6	52%	0.522	26%	0.259	S	S	.	.	S	Bend	trans	-68.1	-24.7	176.2	-164.8	-91.3	0	0	0	111.6	P979 R983 P1048	P979-Y1046 HydrophobicContact CB-CD2 3.86Å; P979-Y1046 HydrophobicContact CB-CE2 3.46Å; P979-Y1046 VanDerWaalsContact CB-CE2 3.46Å; P979-Y1046 HydrophobicContact CG-CD2 3.88Å; P979-Y1046 HydrophobicContact CG-CE2 3.97Å; R983-Y1046 PolarHBondContact NE-OH 3.05Å; Y1046-P1048 WeakPolarHBondContact O-CD 3.27Å
1047	D	92.5	Very high	94.6	Very high	57 Å²	57	49 Å²	49	31%	0.305	26%	0.257	S	S	.	.	S	Bend	trans	-90.4	113.5	172.5	-178.9	-6.9	0	0	0	110.7	D1045 V1049 K1050	D1045-D1047 PolarHBondContact O-N 3.25Å; D1045-D1047 WeakPolarHBondContact OD1-CB 3.45Å; D1045-D1047 PolarHBondContact OD1-N 3.3Å; D1047-V1049 PolarHBondContact O-N 3.24Å; D1047-V1049 VanDerWaalsContact O-N 3.13Å; D1047-V1049 VanDerWaalsContact OD1-CB 3.29Å; D1047-V1049 WeakPolarHBondContact OD1-CB 3.22Å; D1047-V1049 WeakPolarHBondContact OD1-CG2 3.3Å; D1047-V1049 PolarHBondContact OD1-N 3Å; D1047-K1050 HydrophobicContact CB-CD 4.05Å; D1047-K1050 HydrophobicContact CB-CG 4.14Å; D1047-K1050 PolarHBondContact O-N 2.98Å; D1047-K1050 WeakPolarHBondContact OD2-CE 3.35Å; D1047-K1050 IonicContact OD2-NZ 3.6Å
1048	P	93.2	Very high	94.5	Very high	30 Å²	30	50.4 Å²	50.4	20%	0.195	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.3	178.8	-23.6	34.5	0	0	0	114.1	E980 K990 Y1046 K1050	E980-P1048 HydrophobicContact CG-CG 4.3Å; K990-P1048 HydrophobicContact CB-CB 3.84Å; K990-P1048 WeakPolarHBondContact CD-O 3.27Å; K990-P1048 WeakPolarHBondContact CE-O 3.13Å; K990-P1048 HydrophobicContact CG-CB 4.24Å; K990-P1048 VanDerWaalsContact CG-O 3.24Å; K990-P1048 WeakPolarHBondContact CG-O 3.35Å; Y1046-P1048 WeakPolarHBondContact O-CD 3.27Å; P1048-K1050 VanDerWaalsContact C-N 3.32Å; P1048-K1050 PolarHBondContact O-N 3.17Å
1049	V	93.3	Very high	94.5	Very high	117 Å²	117	51.2 Å²	51.2	71%	0.709	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-31.8	-178.4	-177.1	0	0	0	0	111.6	D1047	D1047-V1049 PolarHBondContact O-N 3.24Å; D1047-V1049 VanDerWaalsContact O-N 3.13Å; D1047-V1049 VanDerWaalsContact OD1-CB 3.29Å; D1047-V1049 WeakPolarHBondContact OD1-CB 3.22Å; D1047-V1049 WeakPolarHBondContact OD1-CG2 3.3Å; D1047-V1049 PolarHBondContact OD1-N 3Å
1050	K	94.2	Very high	94.4	Very high	127 Å²	127	51.4 Å²	51.4	55%	0.552	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-21	-178.2	-61.1	178.3	-155.1	136.2	0	113.7	D1045 D1047 P1048	D1045-K1050 HydrophobicContact CB-CB 4.14Å; D1045-K1050 IonicContact OD1-NZ 3.64Å; D1045-K1050 PolarHBondContact OD1-NZ 3.32Å; D1045-K1050 VanDerWaalsContact OD2-CD 3.29Å; D1045-K1050 WeakPolarHBondContact OD2-CD 3.5Å; D1045-K1050 IonicContact OD2-NZ 3.62Å; D1047-K1050 HydrophobicContact CB-CD 4.05Å; D1047-K1050 HydrophobicContact CB-CG 4.14Å; D1047-K1050 PolarHBondContact O-N 2.98Å; D1047-K1050 WeakPolarHBondContact OD2-CE 3.35Å; D1047-K1050 IonicContact OD2-NZ 3.6Å; P1048-K1050 VanDerWaalsContact C-N 3.32Å; P1048-K1050 PolarHBondContact O-N 3.17Å
1051	R	96.2	Very high	94	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.008	30%	0.297	C	S	.	.	S	Bend	trans	-64.1	134	176.1	-56.9	-179.6	-160.7	143.4	10.3	109.3	E980 K990 I993 K1042 L1043 D1045	E980-R1051 IonicContact OE1-CZ 2.78Å; E980-R1051 IonicContact OE1-NH1 2.74Å; E980-R1051 PolarHBondContact OE1-NH1 3.03Å; E980-R1051 IonicContact OE1-NH2 3.89Å; E980-R1051 PolarHBondContact OE1-NH2 3.4Å; E980-R1051 IonicContact OE2-CZ 3.19Å; E980-R1051 IonicContact OE2-NH1 2.83Å; E980-R1051 IonicContact OE2-NH2 2.68Å; E980-R1051 PolarHBondContact OE2-NH2 2.86Å; K990-R1051 HydrophobicContact CD-CB 4.37Å; K990-R1051 WeakPolarHBondContact CE-O 3.41Å; K990-R1051 PolarHBondContact NZ-O 3.14Å; K990-R1051 PolarHBondContact O-NH1 3Å; I993-R1051 HydrophobicContact CB-CB 4.5Å; I993-R1051 HydrophobicContact CG2-CB 3.94Å; K1042-R1051 WeakPolarHBondContact O-CA 3.39Å; L1043-R1051 WeakPolarHBondContact O-CD 3.21Å; D1045-R1051 HydrophobicContact CB-CG 4.15Å; D1045-R1051 PolarHBondContact O-NE 2.93Å; D1045-R1051 PolarHBondContact O-NH2 3.3Å; D1045-R1051 VanDerWaalsContact O-NH2 3.08Å
1052	P	96.1	Very high	93.7	Very high	35 Å²	35	53.2 Å²	53.2	23%	0.227	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-64.3	154.8	177.4	28.4	-35.8	0	0	0	111.5	I993 K1042 L1043 A1056 I1057	I993-P1052 WeakPolarHBondContact CG2-O 3.27Å; K1042-P1052 WeakPolarHBondContact O-CD 3.43Å; L1043-P1052 HydrophobicContact CD2-CG 3.64Å; P1052-A1056 HydrophobicContact CB-CB 4.16Å; P1052-I1057 HydrophobicContact CB-CG1 4.05Å; P1052-I1057 HydrophobicContact CG-CD1 4.21Å; P1052-I1057 HydrophobicContact CG-CG1 3.71Å
1053	D	95	Very high	93.4	Very high	65 Å²	65	48.2 Å²	48.2	35%	0.348	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-78.3	153.5	168.4	-64.1	-68.7	0	0	0	110.8	H989 K990 P1055 A1056 I1057	H989-D1053 IonicContact CD2-OD1 2.69Å; H989-D1053 IonicContact CE1-OD1 3.82Å; H989-D1053 IonicContact NE2-OD1 3.63Å; H989-D1053 PolarHBondContact NE2-OD1 3.41Å; K990-D1053 WeakPolarHBondContact CE-OD1 3.42Å; K990-D1053 IonicContact NZ-OD1 3.77Å; K990-D1053 PolarHBondContact NZ-OD1 3.02Å; K990-D1053 IonicContact NZ-OD2 3.55Å; K990-D1053 PolarHBondContact NZ-OD2 2.96Å; D1053-P1055 VanDerWaalsContact C-CD 3.49Å; D1053-P1055 VanDerWaalsContact C-N 3.33Å; D1053-A1056 WeakPolarHBondContact O-CA 3.12Å; D1053-A1056 WeakPolarHBondContact O-CB 3.17Å; D1053-A1056 PolarHBondContact O-N 2.81Å; D1053-I1057 PolarHBondContact O-N 2.85Å; D1053-I1057 VanDerWaalsContact O-N 3.12Å
1054	A	94.6	Very high	92.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-53.3	-38.4	-174.4	0	0	0	0	0	114.8	V856 V859 A860 I993 A1056 I1057 L1058	V856-A1054 HydrophobicContact CG1-CB 4.25Å; V859-A1054 HydrophobicContact CG1-CB 4.26Å; A860-A1054 HydrophobicContact CB-CB 3.74Å; I993-A1054 HydrophobicContact CD1-CB 4.05Å; A1054-A1056 VanDerWaalsContact C-N 3.35Å; A1054-A1056 PolarHBondContact O-N 2.82Å; A1054-I1057 WeakPolarHBondContact O-CB 3.11Å; A1054-I1057 PolarHBondContact O-N 2.79Å; A1054-L1058 PolarHBondContact O-N 2.82Å; A1054-L1058 VanDerWaalsContact O-N 3.16Å
1055	P	93.7	Very high	91.3	Very high	73 Å²	73	59 Å²	59	47%	0.474	32%	0.317	S	S	.	.	H	α-helix	trans	-60.5	-38.2	170.5	-25.4	36	0	0	0	113.9	A860 D1053 I1057 L1058 E1059	A860-P1055 HydrophobicContact CB-CG 4.44Å; D1053-P1055 VanDerWaalsContact C-CD 3.49Å; D1053-P1055 VanDerWaalsContact C-N 3.33Å; P1055-I1057 VanDerWaalsContact C-N 3.28Å; P1055-I1057 PolarHBondContact O-N 3.28Å; P1055-L1058 PolarHBondContact O-N 3.33Å; P1055-E1059 WeakPolarHBondContact O-CB 3.44Å; P1055-E1059 WeakPolarHBondContact O-CG 3.19Å; P1055-E1059 PolarHBondContact O-N 2.8Å
1056	A	94.6	Very high	89.7	Confident	54 Å²	54	58.1 Å²	58.1	45%	0.446	31%	0.314	S	S	.	.	H	α-helix	trans	-70.4	-23.9	176.9	0	0	0	0	0	112.8	P1052 D1053 A1054 S1060	P1052-A1056 HydrophobicContact CB-CB 4.16Å; D1053-A1056 WeakPolarHBondContact O-CA 3.12Å; D1053-A1056 WeakPolarHBondContact O-CB 3.17Å; D1053-A1056 PolarHBondContact O-N 2.81Å; A1054-A1056 VanDerWaalsContact C-N 3.35Å; A1054-A1056 PolarHBondContact O-N 2.82Å; A1056-S1060 PolarHBondContact O-N 2.8Å
1057	I	95.3	Very high	88	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-70	-47.5	171.1	-58.8	175.7	0	0	0	110	F852 V856 I993 F1039 L1043 P1052 D1053 A1054 P1055 E1059 S1060 I1063	F852-I1057 HydrophobicContact CE1-CG2 4.15Å; V856-I1057 HydrophobicContact CG1-CB 3.9Å; V856-I1057 HydrophobicContact CG1-CG2 3.86Å; V856-I1057 HydrophobicContact CG2-CG2 4.06Å; I993-I1057 HydrophobicContact CD1-CD1 3.91Å; I993-I1057 HydrophobicContact CG2-CD1 3.95Å; F1039-I1057 HydrophobicContact CE2-CG2 4.05Å; F1039-I1057 HydrophobicContact CZ-CG2 3.61Å; L1043-I1057 HydrophobicContact CD2-CD1 3.45Å; L1043-I1057 VanDerWaalsContact CD2-CD1 3.45Å; L1043-I1057 HydrophobicContact CD2-CG1 3.91Å; P1052-I1057 HydrophobicContact CB-CG1 4.05Å; P1052-I1057 HydrophobicContact CG-CD1 4.21Å; P1052-I1057 HydrophobicContact CG-CG1 3.71Å; D1053-I1057 PolarHBondContact O-N 2.85Å; D1053-I1057 VanDerWaalsContact O-N 3.12Å; A1054-I1057 WeakPolarHBondContact O-CB 3.11Å; A1054-I1057 PolarHBondContact O-N 2.79Å; P1055-I1057 VanDerWaalsContact C-N 3.28Å; P1055-I1057 PolarHBondContact O-N 3.28Å; I1057-E1059 VanDerWaalsContact C-N 3.27Å; I1057-E1059 PolarHBondContact O-N 2.79Å; I1057-S1060 VanDerWaalsContact O-CB 3.31Å; I1057-S1060 WeakPolarHBondContact O-CB 3.4Å; I1057-S1060 PolarHBondContact O-N 3.42Å; I1057-S1060 PolarHBondContact O-OG 3.34Å; I1057-I1063 WeakPolarHBondContact O-CG1 3.35Å
1058	L	93.3	Very high	85.4	Confident	41 Å²	41	60.8 Å²	60.8	22%	0.215	35%	0.352	C	S	.	.	H	α-helix	trans	-60.1	-38.4	174.8	-63	173.5	0	0	0	111.8	R853 V856 E857 A860 A1054 P1055 S1060 I1063	R853-L1058 HydrophobicContact CG-CD2 3.89Å; V856-L1058 HydrophobicContact CB-CD2 3.86Å; V856-L1058 HydrophobicContact CB-CG 4.48Å; V856-L1058 HydrophobicContact CG1-CD2 3.64Å; V856-L1058 HydrophobicContact CG1-CG 3.73Å; E857-L1058 HydrophobicContact CG-CD1 4.3Å; E857-L1058 HydrophobicContact CG-CD2 4.01Å; A860-L1058 HydrophobicContact CB-CD1 4.19Å; A1054-L1058 PolarHBondContact O-N 2.82Å; A1054-L1058 VanDerWaalsContact O-N 3.16Å; P1055-L1058 PolarHBondContact O-N 3.33Å; L1058-S1060 PolarHBondContact O-N 2.84Å; L1058-I1063 HydrophobicContact CD2-CG2 4.37Å
1059	E	92.1	Very high	85	Confident	123 Å²	123	62.3 Å²	62.3	58%	0.575	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-7.6	-179.7	-77.2	-68	92.5	0	0	114.9	P1055 I1057 K1064	P1055-E1059 WeakPolarHBondContact O-CB 3.44Å; P1055-E1059 WeakPolarHBondContact O-CG 3.19Å; P1055-E1059 PolarHBondContact O-N 2.8Å; I1057-E1059 VanDerWaalsContact C-N 3.27Å; I1057-E1059 PolarHBondContact O-N 2.79Å; E1059-K1064 WeakPolarHBondContact O-CD 3.18Å; E1059-K1064 WeakPolarHBondContact O-CE 3.3Å; E1059-K1064 PolarHBondContact O-NZ 3.26Å; E1059-K1064 WeakPolarHBondContact OE1-CE 3.27Å; E1059-K1064 IonicContact OE1-NZ 2.67Å; E1059-K1064 PolarHBondContact OE1-NZ 3.45Å; E1059-K1064 IonicContact OE2-NZ 2.83Å; E1059-K1064 PolarHBondContact OE2-NZ 3.17Å
1060	S	91.9	Very high	84.5	Confident	27 Å²	27	59.4 Å²	59.4	19%	0.189	34%	0.342	C	S	.	.	S	Bend	trans	-70	152	-179.5	74.1	0	0	0	0	113	F1039 A1056 I1057 L1058 L1062 I1063 K1064	F1039-S1060 WeakPolarHBondContact CE2-OG 3.49Å; A1056-S1060 PolarHBondContact O-N 2.8Å; I1057-S1060 VanDerWaalsContact O-CB 3.31Å; I1057-S1060 WeakPolarHBondContact O-CB 3.4Å; I1057-S1060 PolarHBondContact O-N 3.42Å; I1057-S1060 PolarHBondContact O-OG 3.34Å; L1058-S1060 PolarHBondContact O-N 2.84Å; S1060-L1062 VanDerWaalsContact C-N 3.27Å; S1060-L1062 PolarHBondContact O-N 2.89Å; S1060-I1063 PolarHBondContact O-N 2.83Å; S1060-I1063 WeakPolarHBondContact OG-CG1 3.35Å; S1060-K1064 PolarHBondContact O-N 3.22Å
1061	A	87.9	Confident	84	Confident	66 Å²	66	55.7 Å²	55.7	55%	0.545	33%	0.33	S	S	.	.	H	α-helix	trans	-57.3	-39.2	-178.4	0	0	0	0	0	113	I1063 K1064 Q1065	A1061-I1063 PolarHBondContact O-N 3.39Å; A1061-K1064 PolarHBondContact O-N 3.4Å; A1061-Q1065 WeakPolarHBondContact O-CB 3.29Å; A1061-Q1065 WeakPolarHBondContact O-CG 3.46Å; A1061-Q1065 PolarHBondContact O-N 2.94Å
1062	L	87.6	Confident	83.3	Confident	24 Å²	24	58.8 Å²	58.8	13%	0.126	35%	0.349	C	S	.	.	H	α-helix	trans	-60.9	-42.5	179.3	-179	67.4	0	0	0	112.7	I849 F1000 E1036 F1039 S1060	I849-L1062 HydrophobicContact CD1-CD1 3.87Å; I849-L1062 HydrophobicContact CD1-CG 4.36Å; F1000-L1062 HydrophobicContact CE1-CD2 3.85Å; F1000-L1062 HydrophobicContact CZ-CD2 3.91Å; E1036-L1062 HydrophobicContact CG-CD1 3.83Å; E1036-L1062 HydrophobicContact CG-CD2 3.86Å; E1036-L1062 WeakPolarHBondContact OE1-CD1 3.47Å; F1039-L1062 HydrophobicContact CB-CD2 4.12Å; F1039-L1062 HydrophobicContact CD1-CD2 3.63Å; F1039-L1062 HydrophobicContact CD2-CD2 4.12Å; F1039-L1062 HydrophobicContact CE1-CD2 3.89Å; F1039-L1062 HydrophobicContact CE2-CD2 4.37Å; F1039-L1062 HydrophobicContact CG-CD2 3.72Å; F1039-L1062 HydrophobicContact CZ-CD2 4.23Å; S1060-L1062 VanDerWaalsContact C-N 3.27Å; S1060-L1062 PolarHBondContact O-N 2.89Å
1063	I	88.5	Confident	82.5	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-82.9	-32.6	-178	-53.9	-53.8	0	0	0	111.4	I849 F852 R853 F1039 I1057 L1058 S1060 A1061 S1066	I849-I1063 HydrophobicContact CG2-CD1 3.77Å; F852-I1063 HydrophobicContact CD1-CD1 3.84Å; F852-I1063 HydrophobicContact CE1-CD1 4.28Å; R853-I1063 HydrophobicContact CB-CG2 3.99Å; R853-I1063 HydrophobicContact CG-CG2 3.75Å; F1039-I1063 HydrophobicContact CE2-CG1 4.37Å; F1039-I1063 HydrophobicContact CZ-CD1 4.01Å; F1039-I1063 HydrophobicContact CZ-CG1 3.99Å; I1057-I1063 WeakPolarHBondContact O-CG1 3.35Å; L1058-I1063 HydrophobicContact CD2-CG2 4.37Å; S1060-I1063 PolarHBondContact O-N 2.83Å; S1060-I1063 WeakPolarHBondContact OG-CG1 3.35Å; A1061-I1063 PolarHBondContact O-N 3.39Å; I1063-S1066 PolarHBondContact O-OG 2.84Å
1064	K	81.9	Confident	81.6	Confident	95 Å²	95	60 Å²	60	41%	0.413	36%	0.357	S	S	.	.	H	α-helix	trans	-67.7	-35.7	173.9	-80.5	177.5	170.6	152.3	0	113.6	E1059 S1060 A1061 S1066 V1067	E1059-K1064 WeakPolarHBondContact O-CD 3.18Å; E1059-K1064 WeakPolarHBondContact O-CE 3.3Å; E1059-K1064 PolarHBondContact O-NZ 3.26Å; E1059-K1064 WeakPolarHBondContact OE1-CE 3.27Å; E1059-K1064 IonicContact OE1-NZ 2.67Å; E1059-K1064 PolarHBondContact OE1-NZ 3.45Å; E1059-K1064 IonicContact OE2-NZ 2.83Å; E1059-K1064 PolarHBondContact OE2-NZ 3.17Å; S1060-K1064 PolarHBondContact O-N 3.22Å; A1061-K1064 PolarHBondContact O-N 3.4Å; K1064-S1066 PolarHBondContact O-N 3.34Å; K1064-V1067 WeakPolarHBondContact O-CB 3.45Å; K1064-V1067 WeakPolarHBondContact O-CG2 3.43Å; K1064-V1067 PolarHBondContact O-N 3.26Å
1065	Q	68.2	Low	80.7	Confident	134 Å²	134	64.3 Å²	64.3	63%	0.626	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-69.8	-12.6	-179.1	-77.1	171.5	4.7	0	0	114	A1061 V1067 S1068	A1061-Q1065 WeakPolarHBondContact O-CB 3.29Å; A1061-Q1065 WeakPolarHBondContact O-CG 3.46Å; A1061-Q1065 PolarHBondContact O-N 2.94Å; Q1065-V1067 PolarHBondContact O-N 2.9Å; Q1065-S1068 PolarHBondContact O-OG 3.36Å
1066	S	62	Low	79.7	Confident	14 Å²	14	63.6 Å²	63.6	10%	0.098	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-85	8.9	174.1	84.9	0	0	0	0	113.8	C850 I1063 K1064	C850-S1066 PolarHBondContact SG-O 2.88Å; C850-S1066 VanDerWaalsContact SG-O 3.36Å; C850-S1066 PolarHBondContact SG-OG 3.15Å; I1063-S1066 PolarHBondContact O-OG 2.84Å; K1064-S1066 PolarHBondContact O-N 3.34Å
1067	V	55	Low	78.5	Confident	93 Å²	93	64.4 Å²	64.4	56%	0.564	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-116.5	-9.3	-173.4	-160.2	0	0	0	0	112	K1064 Q1065	K1064-V1067 WeakPolarHBondContact O-CB 3.45Å; K1064-V1067 WeakPolarHBondContact O-CG2 3.43Å; K1064-V1067 PolarHBondContact O-N 3.26Å; Q1065-V1067 PolarHBondContact O-N 2.9Å
1068	S	37.9	Very low	76.9	Confident	153 Å²	153	70.2 Å²	70.2	100%	1.07	40%	0.403	S	S	*	.			trans	-111.7	0	-179.2	58.9	0	0	0	0	111.5	Q1065	Q1065-S1068 PolarHBondContact O-OG 3.36Å

Retrieved 1,068 of 1,068 residues in 1217.6 ms (Link to these results)

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