A0A5K4F3B9_SCHMA Loading...

DUF4210 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3B9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,112 aa.

						>A0A5K4F3B9_SCHMA|A0A5K4F3B9
MIDNCSLENTLIPSSKLCGSNQSPGVLQCICRFILSQQSKIYRGLVEYIDGTSVGAPRTNKTEGDKAFTKDNCCDDVRRSSQCDKLTLTIETLFVGENCLEHCGDNQLPVYVMEQWTAQVLPQNPKNRGISISDCQIELLDYIQTSPLMTAIKEPGRPRRYKLTHRSYVCDRISHVGDSFLMDASDILSMDCLSDRNKNSQDDDHDGSSISKIVRQMDGCESPIKRVFTPVCISEKELLHINVVTLKHLPQQFLGCPLCLDPTYLTNKDNFTMLSRARCYSPETLVDLDVCKKNSTLVSHITYGKPNVHPPNFLNLPKCSSNEVVRSPIVVMADTEERFMQSTFDNPFYNILPPCSSWDCTESGHSTLTKKSSRLTDSNRIYQIPLESPPRKQQRISCYAHELTSETKDSDDSNELPSSVTPTINKTPGVQREGCINKVIAEFTLLNVERDLIMNSVDDSNLGSACIPPVNACFSSFDVHRDSIQCNQLSYSTAKKRDHASESQLSTDSENSVLLTSPSASSQPVPRLSRRRNATSASVWPSSFHNDGTPFFNRRTGLPLQSSPVPLKRSTSGKFDFDLSLNRMKTSRSSICMVYNHNLQNSSDINTDHGKEPSSGVDVLKSDRKFSSATVPTDNNSSDNNENSSHKSNQTMTSFRRRPSSLRFTSQYQEQSYERNTISTSIVGSSNNRHTLAGARRRNYPIEINSTELSCSAPPSGGRSFQPHKNITNRLANTMACTPVPHGSSQHLLVNFEESMLNGRIHPVGQVEGFSIELGASGSFYPNHIRLPMKAYFFNLSDDNAPSPYLGYADLKQLPNNKGYHIPKKGSIQLTLFNPTGLVVKMFVIVYDLADMPPNCQTFLRQRTVYMPIQQQQQHHHHHQFDSSQMISNQMMNTTQSTSSTCPLYKPQHSSTPCQTTTTHTQMNHLDCTNSLTTSMLNPNVSVNTSSNCTTDHLWNISSKSLTEPNTPFLSFSSQSSSSCSCSSIASICSLSSYGSQNAVNNTNNTTTNSNTTHTTGISLNTRNELPAYLRYLVHLRFHTTRSGKLYLHTDLRLIFSRDKFEFDPRIATYELRSFIDAPSNPRYSPKKWSTRQQQHHHHHQYTTKYRKSINH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	23.6	Very low	26.4	Very low	245 Å²	245	140.7 Å²	140.7	100%	1.207	77%	0.768	S	S	*	*				0	48.5	0	-66.9	171.8	166.4	0	0	109.8
2	I	23.7	Very low	26.5	Very low	161 Å²	161	140.4 Å²	140.4	83%	0.826	76%	0.762	S	S	*	*			trans	-145.7	108.5	-177.1	-60.4	173.7	0	0	0	104.2
3	D	22.1	Very low	26.7	Very low	155 Å²	155	133.8 Å²	133.8	83%	0.829	73%	0.731	S	S	*	*			trans	179.7	160.7	165.1	-96	-33.6	0	0	0	109.3
4	N	25.7	Very low	26.5	Very low	146 Å²	146	133.4 Å²	133.4	78%	0.781	74%	0.742	S	S	*	*			trans	63.8	93.2	172.5	-60.9	-36.4	0	0	0	118.6
5	C	27.1	Very low	26.5	Very low	104 Å²	104	130.1 Å²	130.1	70%	0.703	73%	0.733	S	S	*	*			trans	-141.9	57.1	152.2	-94.9	0	0	0	0	111.5
6	S	24.3	Very low	26.6	Very low	118 Å²	118	134.8 Å²	134.8	83%	0.825	74%	0.743	S	S	*	*			trans	-76.1	131.2	165.6	-167.1	0	0	0	0	109.5
7	L	29	Very low	26.6	Very low	107 Å²	107	136.8 Å²	136.8	56%	0.56	75%	0.751	S	S	*	*			trans	-156.6	80.7	-178.1	-113.6	166.7	0	0	0	109.9	T10	L7-T10 HydrophobicContact CD2-CG2 3.6Å
8	E	29.1	Very low	26.5	Very low	124 Å²	124	137 Å²	137	58%	0.579	76%	0.762	S	S	*	*			trans	-82.1	145.7	152.4	-69.9	-175.5	134	0	0	108.2
9	N	29.2	Very low	26.6	Very low	140 Å²	140	132.6 Å²	132.6	75%	0.749	75%	0.75	S	S	*	*			trans	59.2	65.7	157.8	-52.6	-31.5	0	0	0	119
10	T	27	Very low	26.6	Very low	100 Å²	100	131.5 Å²	131.5	61%	0.613	75%	0.751	S	S	*	*			trans	-98.5	79.8	154.4	45.8	0	0	0	0	111.6	L7	L7-T10 HydrophobicContact CD2-CG2 3.6Å
11	L	29.7	Very low	26.8	Very low	148 Å²	148	132.7 Å²	132.7	78%	0.775	76%	0.756	S	S	*	*			trans	-80.8	109.3	156.3	-88.4	162.2	0	0	0	108
12	I	27.2	Very low	27.1	Very low	137 Å²	137	129.8 Å²	129.8	70%	0.703	74%	0.739	S	S	*	*			trans	-77.9	125	171.2	-59.7	176.3	0	0	0	107.3	S14	I12-S14 PolarHBondContact O-N 3.35Å
13	P	28.9	Very low	27.4	Very low	55 Å²	55	125.8 Å²	125.8	36%	0.357	73%	0.726	S	S	.	*			trans	-72.7	122.1	-178.4	26.8	-32.1	0	0	0	111.3	S15 R1066	P13-S15 VanDerWaalsContact C-N 3.34Å; P13-S15 PolarHBondContact O-N 3.44Å; P13-R1066 HydrophobicContact CG-CG 4.27Å
14	S	25	Very low	28	Very low	127 Å²	127	123.3 Å²	123.3	89%	0.888	72%	0.718	S	S	*	*			trans	-75.6	72	-175.9	-55.8	0	0	0	0	113.6	I12	I12-S14 PolarHBondContact O-N 3.35Å
15	S	26.7	Very low	28.2	Very low	85 Å²	85	117.9 Å²	117.9	59%	0.594	70%	0.696	S	S	*	*			trans	-146.9	139.9	160.8	56.5	0	0	0	0	111.7	P13	P13-S15 VanDerWaalsContact C-N 3.34Å; P13-S15 PolarHBondContact O-N 3.44Å
16	K	26.9	Very low	28.5	Very low	205 Å²	205	116.3 Å²	116.3	89%	0.891	68%	0.683	S	S	*	*	S	Bend	trans	66.7	78.3	-165.8	-53.2	178.6	-179.9	-179.7	0	115.5
17	L	26.6	Very low	29	Very low	169 Å²	169	113.5 Å²	113.5	89%	0.885	66%	0.658	S	S	*	*			trans	-163.3	42.3	148.1	-111.2	162.6	0	0	0	112.7
18	C	26.1	Very low	29.4	Very low	140 Å²	140	113.8 Å²	113.8	95%	0.946	66%	0.657	S	S	*	*			trans	-93.3	124.6	165.6	-166.9	0	0	0	0	108.7
19	G	27	Very low	29.7	Very low	53 Å²	53	111.9 Å²	111.9	55%	0.546	66%	0.656	S	S	.	*	S	Bend	trans	126.6	104.1	-173.1	0	0	0	0	0	112.6
20	S	27.3	Very low	30.1	Very low	110 Å²	110	106.5 Å²	106.5	77%	0.769	63%	0.628	S	S	*	*	S	Bend	trans	22	138.2	158.6	41.2	0	0	0	0	121.6
21	N	30.4	Very low	30.7	Very low	158 Å²	158	102.8 Å²	102.8	85%	0.845	61%	0.605	S	S	*	*			trans	75.8	69.2	169.6	-50.2	-24.7	0	0	0	115.6	S23	N21-S23 PolarHBondContact O-N 3.44Å
22	Q	30.2	Very low	31.2	Very low	184 Å²	184	103.8 Å²	103.8	86%	0.86	60%	0.599	S	S	*	*			trans	-61.5	129.8	162.9	-71.3	-172.1	-3.5	0	0	110.7
23	S	30.7	Very low	31.9	Very low	77 Å²	77	101.7 Å²	101.7	54%	0.538	59%	0.585	S	S	.	*			trans	-90.1	153.6	-178.6	64.8	0	0	0	0	111.9	N21 G25 V26	N21-S23 PolarHBondContact O-N 3.44Å; S23-G25 PolarHBondContact O-N 3.34Å; S23-V26 PolarHBondContact O-N 3.18Å
24	P	33.4	Very low	32.5	Very low	103 Å²	103	100.3 Å²	100.3	67%	0.669	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-13.4	-177	22.6	-34	0	0	0	114.8	V26 L27 Q28	P24-V26 VanDerWaalsContact C-N 3.31Å; P24-V26 PolarHBondContact O-N 2.9Å; P24-L27 PolarHBondContact O-N 2.75Å; P24-Q28 PolarHBondContact O-N 3.04Å
25	G	30	Very low	33.5	Very low	31 Å²	31	97.3 Å²	97.3	32%	0.32	55%	0.548	S	S	.	.	H	α-helix	trans	-63.2	-31.2	176.4	0	0	0	0	0	114.1	S23 Q28 C29	S23-G25 PolarHBondContact O-N 3.34Å; G25-Q28 PolarHBondContact O-N 2.77Å; G25-C29 PolarHBondContact O-N 3.28Å; G25-C29 VanDerWaalsContact O-N 3.08Å; G25-C29 PolarHBondContact O-SG 2.59Å
26	V	34.4	Very low	34.5	Very low	71 Å²	71	95.1 Å²	95.1	43%	0.43	53%	0.533	S	S	.	.	H	α-helix	trans	-65.9	-47.5	179.4	-178.7	0	0	0	0	110.6	S23 P24 Q28 C29 I30	S23-V26 PolarHBondContact O-N 3.18Å; P24-V26 VanDerWaalsContact C-N 3.31Å; P24-V26 PolarHBondContact O-N 2.9Å; V26-Q28 PolarHBondContact O-N 3.42Å; V26-C29 WeakPolarHBondContact O-CB 3.47Å; V26-C29 PolarHBondContact O-N 3.15Å; V26-I30 HydrophobicContact CG1-CD1 4.39Å; V26-I30 PolarHBondContact O-N 2.82Å
27	L	35.4	Very low	35.4	Very low	59 Å²	59	88.5 Å²	88.5	31%	0.309	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-41.7	177.4	-152.6	80	0	0	0	110.8	P24 C29 I30 C31 P155	P24-L27 PolarHBondContact O-N 2.75Å; L27-C29 PolarHBondContact O-N 2.76Å; L27-I30 HydrophobicContact CD1-CD1 4.35Å; L27-I30 CarbonylContact O-C 3.58Å; L27-I30 WeakPolarHBondContact O-CA 3.45Å; L27-I30 WeakPolarHBondContact O-CB 3.28Å; L27-I30 PolarHBondContact O-N 3.46Å; L27-C31 PolarHBondContact O-N 2.92Å; L27-C31 PolarHBondContact O-SG 3.41Å; L27-P155 HydrophobicContact CD2-CB 3.78Å; L27-P155 HydrophobicContact CD2-CG 4.26Å
28	Q	36.7	Very low	36.4	Very low	113 Å²	113	82.2 Å²	82.2	53%	0.528	47%	0.471	S	S	.	.	H	α-helix	trans	-57.8	-34.3	177.3	-165.2	178.8	41.3	0	0	113.2	P24 G25 V26 R32	P24-Q28 PolarHBondContact O-N 3.04Å; G25-Q28 PolarHBondContact O-N 2.77Å; V26-Q28 PolarHBondContact O-N 3.42Å; Q28-R32 WeakPolarHBondContact O-CG 3.46Å; Q28-R32 PolarHBondContact O-N 2.95Å; Q28-R32 VanDerWaalsContact O-N 3.13Å
29	C	35.2	Very low	37.4	Very low	84 Å²	84	78.9 Å²	78.9	57%	0.568	45%	0.449	S	S	*	.	H	α-helix	trans	-67.5	-41	171.7	-74.1	0	0	0	0	112.6	G25 V26 L27 R32 F33	G25-C29 PolarHBondContact O-N 3.28Å; G25-C29 VanDerWaalsContact O-N 3.08Å; G25-C29 PolarHBondContact O-SG 2.59Å; V26-C29 WeakPolarHBondContact O-CB 3.47Å; V26-C29 PolarHBondContact O-N 3.15Å; L27-C29 PolarHBondContact O-N 2.76Å; C29-R32 PolarHBondContact O-N 3.21Å; C29-F33 PolarHBondContact O-N 3.19Å
30	I	38.3	Very low	38.2	Very low	28 Å²	28	80.2 Å²	80.2	14%	0.144	44%	0.44	C	S	.	.	H	α-helix	trans	-64.1	-43.4	175.3	-62.5	164	0	0	0	110.6	V26 L27 R32 F33 I34 H248	V26-I30 HydrophobicContact CG1-CD1 4.39Å; V26-I30 PolarHBondContact O-N 2.82Å; L27-I30 HydrophobicContact CD1-CD1 4.35Å; L27-I30 CarbonylContact O-C 3.58Å; L27-I30 WeakPolarHBondContact O-CA 3.45Å; L27-I30 WeakPolarHBondContact O-CB 3.28Å; L27-I30 PolarHBondContact O-N 3.46Å; I30-R32 VanDerWaalsContact C-N 3.32Å; I30-R32 PolarHBondContact O-N 3.26Å; I30-F33 WeakPolarHBondContact O-CB 3.39Å; I30-F33 PolarHBondContact O-N 3.41Å; I30-F33 VanDerWaalsContact O-N 3.14Å; I30-I34 HydrophobicContact CG2-CD1 3.95Å; I30-I34 HydrophobicContact CG2-CG1 4.5Å; I30-I34 WeakPolarHBondContact O-CG1 3.23Å; I30-I34 PolarHBondContact O-N 3.38Å; I30-H248 HydrophobicContact CD1-CB 3.66Å
31	C	38.4	Very low	39.2	Very low	22 Å²	22	78 Å²	78	15%	0.149	42%	0.419	C	S	.	.	H	α-helix	trans	-55.5	-47.7	174.3	-51.1	0	0	0	0	111.3	L27 F33 I34 L35 I152	L27-C31 PolarHBondContact O-N 2.92Å; L27-C31 PolarHBondContact O-SG 3.41Å; C31-F33 VanDerWaalsContact C-N 3.34Å; C31-F33 PolarHBondContact O-N 3.42Å; C31-I34 PolarHBondContact O-N 3.33Å; C31-L35 WeakPolarHBondContact O-CB 3.33Å; C31-L35 VanDerWaalsContact O-CG 3.3Å; C31-L35 WeakPolarHBondContact O-CG 3.29Å; C31-L35 PolarHBondContact O-N 3.16Å; C31-I152 HydrophobicContact CB-CG2 3.99Å; C31-I152 WeakPolarHBondContact SG-CG2 3.46Å
32	R	41.5	Very low	40	Very low	169 Å²	169	72.2 Å²	72.2	64%	0.638	39%	0.385	S	S	*	.	H	α-helix	trans	-65.3	-35	178	-75.1	177.6	176.1	-177.1	1.1	112.8	Q28 C29 I30 S36	Q28-R32 WeakPolarHBondContact O-CG 3.46Å; Q28-R32 PolarHBondContact O-N 2.95Å; Q28-R32 VanDerWaalsContact O-N 3.13Å; C29-R32 PolarHBondContact O-N 3.21Å; I30-R32 VanDerWaalsContact C-N 3.32Å; I30-R32 PolarHBondContact O-N 3.26Å; R32-S36 VanDerWaalsContact O-CB 3.26Å; R32-S36 WeakPolarHBondContact O-CB 3.48Å; R32-S36 PolarHBondContact O-N 3.44Å
33	F	42	Very low	40.8	Very low	93 Å²	93	71.5 Å²	71.5	41%	0.408	38%	0.375	S	S	.	.	H	α-helix	trans	-64.9	-51.2	175	-179.7	-93.8	0	0	0	111.3	C29 I30 C31 L35 S36 Q37	C29-F33 PolarHBondContact O-N 3.19Å; I30-F33 WeakPolarHBondContact O-CB 3.39Å; I30-F33 PolarHBondContact O-N 3.41Å; I30-F33 VanDerWaalsContact O-N 3.14Å; C31-F33 VanDerWaalsContact C-N 3.34Å; C31-F33 PolarHBondContact O-N 3.42Å; F33-L35 PolarHBondContact O-N 3.41Å; F33-S36 WeakPolarHBondContact O-CB 3.27Å; F33-S36 PolarHBondContact O-N 3.36Å; F33-S36 VanDerWaalsContact O-N 3.09Å; F33-Q37 HydrophobicContact CD1-CG 4.23Å; F33-Q37 HydrophobicContact CE1-CG 3.86Å; F33-Q37 HydrophobicContact CE2-CG 4.37Å; F33-Q37 HydrophobicContact CZ-CG 3.94Å; F33-Q37 WeakPolarHBondContact O-CG 3.4Å; F33-Q37 PolarHBondContact O-N 3.14Å
34	I	41.2	Very low	41.4	Very low	25 Å²	25	69.5 Å²	69.5	13%	0.128	37%	0.366	C	S	.	.	H	α-helix	trans	-58.5	-49.8	179.4	-66.2	169.1	0	0	0	110.5	I30 C31 S36 Q37 Q38 I152 L246	I30-I34 HydrophobicContact CG2-CD1 3.95Å; I30-I34 HydrophobicContact CG2-CG1 4.5Å; I30-I34 WeakPolarHBondContact O-CG1 3.23Å; I30-I34 PolarHBondContact O-N 3.38Å; C31-I34 PolarHBondContact O-N 3.33Å; I34-S36 VanDerWaalsContact C-N 3.28Å; I34-S36 PolarHBondContact O-N 3.44Å; I34-Q37 PolarHBondContact O-N 3.41Å; I34-Q38 PolarHBondContact O-N 3.06Å; I34-I152 HydrophobicContact CD1-CD1 4.03Å; I34-L246 HydrophobicContact CD1-CD1 4.16Å
35	L	46	Very low	41.8	Very low	65 Å²	65	65.4 Å²	65.4	34%	0.34	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-36.3	175.9	-71.1	169.3	0	0	0	112.5	C31 F33 S39 I143 M149	C31-L35 WeakPolarHBondContact O-CB 3.33Å; C31-L35 VanDerWaalsContact O-CG 3.3Å; C31-L35 WeakPolarHBondContact O-CG 3.29Å; C31-L35 PolarHBondContact O-N 3.16Å; F33-L35 PolarHBondContact O-N 3.41Å; L35-S39 WeakPolarHBondContact O-CB 3.19Å; L35-S39 PolarHBondContact O-N 3.41Å; L35-I143 HydrophobicContact CD2-CG2 4.31Å; L35-M149 HydrophobicContact CD1-CE 4.02Å; L35-M149 HydrophobicContact CD2-CE 4.02Å; L35-M149 HydrophobicContact CD2-SD 4.07Å; L35-M149 HydrophobicContact CG-CE 4.13Å; L35-M149 HydrophobicContact CG-SD 4.31Å
36	S	46.3	Very low	42.3	Very low	39 Å²	39	65.3 Å²	65.3	27%	0.273	33%	0.332	S	S	.	.	H	α-helix	trans	-67.8	-41.9	176	-174	0	0	0	0	112.6	R32 F33 I34 K40	R32-S36 VanDerWaalsContact O-CB 3.26Å; R32-S36 WeakPolarHBondContact O-CB 3.48Å; R32-S36 PolarHBondContact O-N 3.44Å; F33-S36 WeakPolarHBondContact O-CB 3.27Å; F33-S36 PolarHBondContact O-N 3.36Å; F33-S36 VanDerWaalsContact O-N 3.09Å; I34-S36 VanDerWaalsContact C-N 3.28Å; I34-S36 PolarHBondContact O-N 3.44Å; S36-K40 WeakPolarHBondContact O-CD 3.39Å; S36-K40 VanDerWaalsContact O-CG 3.26Å; S36-K40 WeakPolarHBondContact O-CG 3.39Å; S36-K40 PolarHBondContact O-N 3.24Å; S36-K40 PolarHBondContact OG-NZ 3.06Å
37	Q	47	Very low	42.5	Very low	65 Å²	65	67 Å²	67	30%	0.304	34%	0.335	S	S	.	.	H	α-helix	trans	-70.8	-44.2	178.7	-56	-54.8	0.8	0	0	111.6	F33 I34 S39 K40 I41	F33-Q37 HydrophobicContact CD1-CG 4.23Å; F33-Q37 HydrophobicContact CE1-CG 3.86Å; F33-Q37 HydrophobicContact CE2-CG 4.37Å; F33-Q37 HydrophobicContact CZ-CG 3.94Å; F33-Q37 WeakPolarHBondContact O-CG 3.4Å; F33-Q37 PolarHBondContact O-N 3.14Å; I34-Q37 PolarHBondContact O-N 3.41Å; Q37-S39 PolarHBondContact O-N 2.94Å; Q37-K40 PolarHBondContact O-N 3.09Å; Q37-I41 VanDerWaalsContact O-CG1 3.29Å; Q37-I41 WeakPolarHBondContact O-CG1 3.48Å; Q37-I41 PolarHBondContact O-N 3.16Å
38	Q	47.3	Very low	42.8	Very low	38 Å²	38	68.7 Å²	68.7	18%	0.178	34%	0.338	C	S	.	.	H	α-helix	trans	-55.8	-51.9	171.9	-75	176.4	-30.2	0	0	110.7	I34 K40 I41 Y42	I34-Q38 PolarHBondContact O-N 3.06Å; Q38-K40 VanDerWaalsContact C-N 3.3Å; Q38-K40 PolarHBondContact O-N 2.67Å; Q38-I41 PolarHBondContact O-N 2.81Å; Q38-Y42 HydrophobicContact CB-CD2 4.37Å; Q38-Y42 HydrophobicContact CB-CE2 4.14Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.43Å; Q38-Y42 PolarHBondContact O-N 3.48Å
39	S	47.1	Very low	42.9	Very low	70 Å²	70	65.7 Å²	65.7	49%	0.49	33%	0.325	S	S	.	.	H	α-helix	trans	-55.2	-40.7	178	178.7	0	0	0	0	113.3	L35 Q37 R43	L35-S39 WeakPolarHBondContact O-CB 3.19Å; L35-S39 PolarHBondContact O-N 3.41Å; Q37-S39 PolarHBondContact O-N 2.94Å; S39-R43 WeakPolarHBondContact O-CB 3.18Å; S39-R43 PolarHBondContact O-N 3.43Å
40	K	44.4	Very low	43.1	Very low	80 Å²	80	65.1 Å²	65.1	35%	0.348	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-43.5	174.6	-73.7	163.7	-178.3	168.4	0	112.4	S36 Q37 Q38 R43 G44	S36-K40 WeakPolarHBondContact O-CD 3.39Å; S36-K40 VanDerWaalsContact O-CG 3.26Å; S36-K40 WeakPolarHBondContact O-CG 3.39Å; S36-K40 PolarHBondContact O-N 3.24Å; S36-K40 PolarHBondContact OG-NZ 3.06Å; Q37-K40 PolarHBondContact O-N 3.09Å; Q38-K40 VanDerWaalsContact C-N 3.3Å; Q38-K40 PolarHBondContact O-N 2.67Å; K40-R43 PolarHBondContact O-N 2.99Å; K40-G44 PolarHBondContact O-N 3.03Å
41	I	47.8	Very low	43.1	Very low	64 Å²	64	66.9 Å²	66.9	33%	0.328	34%	0.341	S	S	.	.	H	α-helix	trans	-62.3	-47.3	178.1	-67.4	162.6	0	0	0	110.5	Q37 Q38 R43 G44 L45	Q37-I41 VanDerWaalsContact O-CG1 3.29Å; Q37-I41 WeakPolarHBondContact O-CG1 3.48Å; Q37-I41 PolarHBondContact O-N 3.16Å; Q38-I41 PolarHBondContact O-N 2.81Å; I41-R43 VanDerWaalsContact C-N 3.33Å; I41-R43 PolarHBondContact O-N 3.24Å; I41-G44 PolarHBondContact O-N 3.47Å; I41-L45 HydrophobicContact CG2-CD1 4.01Å; I41-L45 PolarHBondContact O-N 3.09Å
42	Y	47.3	Very low	43.3	Very low	36 Å²	36	70.3 Å²	70.3	14%	0.141	36%	0.361	C	S	.	.	H	α-helix	trans	-63.9	-36.1	177.1	-70.9	-68.4	0	0	0	112.7	Q38 L45 V46 I90 L139 I143	Q38-Y42 HydrophobicContact CB-CD2 4.37Å; Q38-Y42 HydrophobicContact CB-CE2 4.14Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.43Å; Q38-Y42 PolarHBondContact O-N 3.48Å; Y42-L45 HydrophobicContact CD1-CD1 4.14Å; Y42-L45 HydrophobicContact CE1-CD1 4.42Å; Y42-L45 PolarHBondContact O-N 3.03Å; Y42-V46 WeakPolarHBondContact O-CG2 3.34Å; Y42-V46 PolarHBondContact O-N 3.23Å; Y42-I90 HydrophobicContact CE1-CD1 4.36Å; Y42-L139 HydrophobicContact CD1-CD1 4.31Å; Y42-L139 HydrophobicContact CE1-CD1 4.19Å; Y42-L139 HydrophobicContact CE1-CD2 4.28Å; Y42-I143 HydrophobicContact CD2-CD1 3.72Å; Y42-I143 HydrophobicContact CE1-CD1 4.43Å; Y42-I143 HydrophobicContact CE2-CD1 3.18Å; Y42-I143 HydrophobicContact CE2-CG1 4.23Å
43	R	46.6	Very low	43.2	Very low	170 Å²	170	65.9 Å²	65.9	64%	0.642	36%	0.356	S	S	*	.	H	α-helix	trans	-64.4	-42.5	174.3	-152	-175	-156.6	-93.8	8.9	111.9	S39 K40 I41 V46 E47	S39-R43 WeakPolarHBondContact O-CB 3.18Å; S39-R43 PolarHBondContact O-N 3.43Å; K40-R43 PolarHBondContact O-N 2.99Å; I41-R43 VanDerWaalsContact C-N 3.33Å; I41-R43 PolarHBondContact O-N 3.24Å; R43-V46 PolarHBondContact O-N 3.21Å; R43-E47 IonicContact CZ-OE1 3.47Å; R43-E47 IonicContact NH1-OE1 3.88Å; R43-E47 PolarHBondContact NH1-OE1 3.43Å; R43-E47 WeakPolarHBondContact O-CB 3.39Å; R43-E47 WeakPolarHBondContact O-CG 3.44Å; R43-E47 PolarHBondContact O-N 3.23Å
44	G	43.4	Very low	42.8	Very low	34 Å²	34	67.9 Å²	67.9	35%	0.351	38%	0.376	S	S	.	.	H	α-helix	trans	-65.3	-38.2	174.7	0	0	0	0	0	113.6	K40 I41 E47 Y48	K40-G44 PolarHBondContact O-N 3.03Å; I41-G44 PolarHBondContact O-N 3.47Å; G44-E47 PolarHBondContact O-N 3.07Å; G44-Y48 WeakPolarHBondContact O-CB 3.46Å; G44-Y48 PolarHBondContact O-N 3.47Å
45	L	41.7	Very low	42.3	Very low	17 Å²	17	70.2 Å²	70.2	9%	0.089	41%	0.406	C	S	.	.	H	α-helix	trans	-61.7	-45.1	172.3	-83.7	161.8	0	0	0	112	I41 Y42 Y48 I49 L88 I90 L239	I41-L45 HydrophobicContact CG2-CD1 4.01Å; I41-L45 PolarHBondContact O-N 3.09Å; Y42-L45 HydrophobicContact CD1-CD1 4.14Å; Y42-L45 HydrophobicContact CE1-CD1 4.42Å; Y42-L45 PolarHBondContact O-N 3.03Å; L45-Y48 PolarHBondContact O-N 2.87Å; L45-I49 VanDerWaalsContact O-CG1 3.31Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 2.89Å; L45-L88 HydrophobicContact CD2-CD1 3.84Å; L45-L88 HydrophobicContact CD2-CD2 4.18Å; L45-I90 HydrophobicContact CD1-CD1 4.37Å; L45-L239 HydrophobicContact CD2-CB 4.47Å; L45-L239 HydrophobicContact CD2-CD1 3.84Å; L45-L239 HydrophobicContact CD2-CD2 3.76Å; L45-L239 HydrophobicContact CD2-CG 4.24Å; L45-L239 HydrophobicContact CG-CD2 4.25Å
46	V	39.5	Very low	41.5	Very low	30 Å²	30	71.6 Å²	71.6	18%	0.182	43%	0.427	C	S	.	.	H	α-helix	trans	-61.6	-49.9	175.4	166.3	0	0	0	0	111	Y42 R43 Y48 I49 D50 Q136	Y42-V46 WeakPolarHBondContact O-CG2 3.34Å; Y42-V46 PolarHBondContact O-N 3.23Å; R43-V46 PolarHBondContact O-N 3.21Å; V46-Y48 PolarHBondContact O-N 2.98Å; V46-I49 PolarHBondContact O-N 2.83Å; V46-I49 VanDerWaalsContact O-N 3.08Å; V46-D50 PolarHBondContact O-N 3.45Å; V46-Q136 VanDerWaalsContact CG1-NE2 3.27Å; V46-Q136 HydrophobicContact CG2-CG 3.7Å; V46-Q136 VanDerWaalsContact CG2-NE2 3.34Å
47	E	39.5	Very low	40.9	Very low	107 Å²	107	75.1 Å²	75.1	50%	0.5	45%	0.449	S	S	.	.	H	α-helix	trans	-61.9	-29.2	179.4	-71.7	171.7	-156.2	0	0	112.3	R43 G44 G51	R43-E47 IonicContact CZ-OE1 3.47Å; R43-E47 IonicContact NH1-OE1 3.88Å; R43-E47 PolarHBondContact NH1-OE1 3.43Å; R43-E47 WeakPolarHBondContact O-CB 3.39Å; R43-E47 WeakPolarHBondContact O-CG 3.44Å; R43-E47 PolarHBondContact O-N 3.23Å; G44-E47 PolarHBondContact O-N 3.07Å; E47-G51 PolarHBondContact O-N 2.88Å
48	Y	41	Very low	40.2	Very low	93 Å²	93	83.4 Å²	83.4	37%	0.365	48%	0.477	S	S	.	.	H	α-helix	trans	-71.7	-41	171.9	-179.6	-88.1	0	0	0	113.1	G44 L45 V46 G51 T52 L239	G44-Y48 WeakPolarHBondContact O-CB 3.46Å; G44-Y48 PolarHBondContact O-N 3.47Å; L45-Y48 PolarHBondContact O-N 2.87Å; V46-Y48 PolarHBondContact O-N 2.98Å; Y48-G51 PolarHBondContact O-N 2.91Å; Y48-T52 HydrophobicContact CE1-CG2 4.41Å; Y48-T52 WeakPolarHBondContact O-CB 3.46Å; Y48-T52 WeakPolarHBondContact O-CG2 3.19Å; Y48-T52 PolarHBondContact O-N 2.8Å; Y48-T52 VanDerWaalsContact O-N 3.11Å; Y48-T52 PolarHBondContact O-OG1 2.98Å; Y48-L239 HydrophobicContact CD1-CD1 4Å; Y48-L239 HydrophobicContact CD2-CD2 4.4Å; Y48-L239 HydrophobicContact CE1-CD1 3.95Å; Y48-L239 HydrophobicContact CG-CD1 4.36Å; Y48-L239 HydrophobicContact CG-CD2 4.22Å
49	I	39.4	Very low	39.6	Very low	51 Å²	51	87.5 Å²	87.5	26%	0.262	51%	0.505	S	S	.	.	H	α-helix	trans	-72.6	-40.5	179.2	-65.7	165.5	0	0	0	111.2	L45 V46 T52 S53 I132	L45-I49 VanDerWaalsContact O-CG1 3.31Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 2.89Å; V46-I49 PolarHBondContact O-N 2.83Å; V46-I49 VanDerWaalsContact O-N 3.08Å; I49-T52 PolarHBondContact O-N 2.82Å; I49-T52 PolarHBondContact O-OG1 3.19Å; I49-S53 PolarHBondContact O-N 3.16Å; I49-S53 PolarHBondContact O-OG 3.24Å; I49-S53 VanDerWaalsContact O-OG 3.09Å; I49-I132 HydrophobicContact CG2-CD1 3.88Å; I49-I132 HydrophobicContact CG2-CG1 4.42Å
50	D	39.1	Very low	38.8	Very low	72 Å²	72	91.4 Å²	91.4	39%	0.385	52%	0.521	S	S	.	.	H	α-helix	trans	-65	-42.8	172	-74.6	-20.5	0	0	0	110.7	V46 T52 S53	V46-D50 PolarHBondContact O-N 3.45Å; D50-T52 VanDerWaalsContact C-N 3.26Å; D50-T52 PolarHBondContact O-N 3.3Å; D50-S53 PolarHBondContact O-N 2.78Å; D50-S53 PolarHBondContact O-OG 3.33Å
51	G	38.6	Very low	38.5	Very low	64 Å²	64	97.2 Å²	97.2	66%	0.66	55%	0.546	S	S	*	.	H	α-helix	trans	-65.2	-22.7	178.9	0	0	0	0	0	115.2	E47 Y48	E47-G51 PolarHBondContact O-N 2.88Å; Y48-G51 PolarHBondContact O-N 2.91Å
52	T	42.7	Very low	37.9	Very low	94 Å²	94	99.7 Å²	99.7	58%	0.577	56%	0.564	S	S	*	*	H	α-helix	trans	-95.9	-15	-179.4	45.4	0	0	0	0	114.2	Y48 I49 D50	Y48-T52 HydrophobicContact CE1-CG2 4.41Å; Y48-T52 WeakPolarHBondContact O-CB 3.46Å; Y48-T52 WeakPolarHBondContact O-CG2 3.19Å; Y48-T52 PolarHBondContact O-N 2.8Å; Y48-T52 VanDerWaalsContact O-N 3.11Å; Y48-T52 PolarHBondContact O-OG1 2.98Å; I49-T52 PolarHBondContact O-N 2.82Å; I49-T52 PolarHBondContact O-OG1 3.19Å; D50-T52 VanDerWaalsContact C-N 3.26Å; D50-T52 PolarHBondContact O-N 3.3Å
53	S	39.9	Very low	37.2	Very low	77 Å²	77	106.9 Å²	106.9	54%	0.538	60%	0.599	S	S	.	*	H	α-helix	trans	-96.8	-20.2	-174.6	57.9	0	0	0	0	115.3	I49 D50 G55	I49-S53 PolarHBondContact O-N 3.16Å; I49-S53 PolarHBondContact O-OG 3.24Å; I49-S53 VanDerWaalsContact O-OG 3.09Å; D50-S53 PolarHBondContact O-N 2.78Å; D50-S53 PolarHBondContact O-OG 3.33Å; S53-G55 PolarHBondContact O-N 3.02Å
54	V	33.2	Very low	36.5	Very low	135 Å²	135	102.2 Å²	102.2	82%	0.818	60%	0.603	S	S	*	*			trans	-91.6	76.6	-173.5	-173	0	0	0	0	112.2
55	G	30	Very low	35.9	Very low	73 Å²	73	107.9 Å²	107.9	75%	0.753	63%	0.626	S	S	*	*			trans	-133.6	4.5	-171.6	0	0	0	0	0	118.6	S53	S53-G55 PolarHBondContact O-N 3.02Å
56	A	30.1	Very low	35.5	Very low	94 Å²	94	117 Å²	117	78%	0.777	67%	0.665	S	S	*	*			trans	-109	115.8	-172.7	0	0	0	0	0	113.6	R58	A56-R58 PolarHBondContact O-N 3.09Å
57	P	33.7	Very low	34.9	Very low	114 Å²	114	119.5 Å²	119.5	74%	0.74	69%	0.689	S	S	*	*			trans	-81.5	109.9	-176.9	31.1	-33.9	0	0	0	113	T59	P57-T59 PolarHBondContact O-N 2.98Å; P57-T59 VanDerWaalsContact O-N 3.16Å
58	R	31.4	Very low	34.5	Very low	238 Å²	238	124.6 Å²	124.6	90%	0.898	71%	0.71	S	S	*	*			trans	-79.2	87.7	166.4	-79.5	-173.2	172.1	178.5	-1.4	111.3	A56 N60	A56-R58 PolarHBondContact O-N 3.09Å; R58-N60 PolarHBondContact O-N 3.06Å
59	T	35.1	Very low	34	Very low	125 Å²	125	125.1 Å²	125.1	77%	0.767	72%	0.723	S	S	*	*			trans	-87.3	94	170.2	52	0	0	0	0	111.3	P57 K61	P57-T59 PolarHBondContact O-N 2.98Å; P57-T59 VanDerWaalsContact O-N 3.16Å; T59-K61 PolarHBondContact O-N 3.49Å
60	N	31.5	Very low	33.5	Very low	152 Å²	152	130.8 Å²	130.8	81%	0.813	75%	0.745	S	S	*	*			trans	-72.7	111.7	167.9	-77	3.3	0	0	0	110.1	R58	R58-N60 PolarHBondContact O-N 3.06Å
61	K	36.3	Very low	33	Very low	202 Å²	202	132.7 Å²	132.7	88%	0.878	76%	0.755	S	S	*	*			trans	-159.9	100.9	157.5	-114.3	172.4	-175.1	-178.8	0	111.5	T59	T59-K61 PolarHBondContact O-N 3.49Å
62	T	35.3	Very low	32.7	Very low	115 Å²	115	136.9 Å²	136.9	71%	0.706	76%	0.763	S	S	*	*			trans	-59.4	157.4	147.7	43.5	0	0	0	0	109.1
63	E	33.2	Very low	32.1	Very low	187 Å²	187	138.4 Å²	138.4	87%	0.874	78%	0.776	S	S	*	*			cis	-159.1	171	-6	-119.1	161.3	-177.4	0	0	107.4
64	G	31.7	Very low	31.4	Very low	72 Å²	72	140.5 Å²	140.5	74%	0.742	79%	0.789	S	S	*	*			trans	143.9	97.3	166.7	0	0	0	0	0	115.3
65	D	31.5	Very low	31.1	Very low	153 Å²	153	141.3 Å²	141.3	82%	0.818	79%	0.789	S	S	*	*			trans	-67.4	147.4	179.1	-59.2	-80.1	0	0	0	114.7
66	K	32.8	Very low	31	Very low	208 Å²	208	145 Å²	145	90%	0.904	79%	0.791	S	S	*	*				-164	125.6	114.9	-104	147.9	-171.6	166.8	0	112.1
67	A	28.1	Very low	30.9	Very low	83 Å²	83	147.5 Å²	147.5	69%	0.686	80%	0.797	S	S	*	*			trans	-76.5	147.6	175.4	0	0	0	0	0	111.8
68	F	29.9	Very low	30.5	Very low	215 Å²	215	153.7 Å²	153.7	94%	0.943	81%	0.805	S	S	*	*			trans	-135.4	136.9	144	-119	-87.1	0	0	0	108.2
69	T	30	Very low	30.2	Very low	104 Å²	104	153.4 Å²	153.4	64%	0.638	80%	0.804	S	S	*	*			trans	-112.1	158.7	-162.2	53.3	0	0	0	0	112.6
70	K	28.7	Very low	29.8	Very low	170 Å²	170	153.5 Å²	153.5	74%	0.739	81%	0.81	S	S	*	*			trans	72.9	150.5	156.9	-74.2	176.4	145	-79.6	0	116.2
71	D	30.5	Very low	29.6	Very low	111 Å²	111	152.2 Å²	152.2	59%	0.594	81%	0.813	S	S	*	*			cis	-149	173.2	2.1	-109.3	-32.8	0	0	0	110.7
72	N	31.6	Very low	29.3	Very low	152 Å²	152	150.1 Å²	150.1	81%	0.813	81%	0.806	S	S	*	*			trans	95	147	159.6	-60.1	-37.2	0	0	0	121.6
73	C	29.2	Very low	29.3	Very low	127 Å²	127	149.7 Å²	149.7	86%	0.858	81%	0.807	S	S	*	*			trans	67	100.6	179.8	-64.2	0	0	0	0	116.7
74	C	26.2	Very low	29.4	Very low	120 Å²	120	145.1 Å²	145.1	81%	0.811	79%	0.788	S	S	*	*			trans	-85	-174.3	166.2	-67.9	0	0	0	0	111.8
75	D	26.4	Very low	29.8	Very low	153 Å²	153	147.3 Å²	147.3	82%	0.818	78%	0.777	S	S	*	*			trans	84.1	155.9	174.3	-55.8	-35.3	0	0	0	117.1	V77	D75-V77 PolarHBondContact O-N 3.28Å
76	D	27.8	Very low	30.1	Very low	150 Å²	150	143.6 Å²	143.6	80%	0.802	76%	0.757	S	S	*	*			trans	62.9	17.5	-175.1	-80.3	-23.6	0	0	0	120.6	R78	D76-R78 PolarHBondContact O-N 3.41Å
77	V	28.8	Very low	30.4	Very low	147 Å²	147	136.5 Å²	136.5	89%	0.891	73%	0.731	S	S	*	*			trans	-97.5	60.7	162.3	-167.3	0	0	0	0	111.7	D75	D75-V77 PolarHBondContact O-N 3.28Å
78	R	24.8	Very low	30.9	Very low	244 Å²	244	134.1 Å²	134.1	92%	0.921	71%	0.707	S	S	*	*			trans	-153.7	26.1	176	-124.4	175.2	-169.3	177.8	3.6	117	D76	D76-R78 PolarHBondContact O-N 3.41Å
79	R	25.5	Very low	31.5	Very low	231 Å²	231	126.1 Å²	126.1	87%	0.872	68%	0.676	S	S	*	*			trans	-142.5	84.2	175.6	-76.1	-177.9	175.1	145.2	-2.6	113.5
80	S	26.9	Very low	32	Very low	127 Å²	127	123.3 Å²	123.3	89%	0.888	66%	0.656	S	S	*	*			trans	-172.3	86.7	152.2	-171.1	0	0	0	0	109.1
81	S	26.2	Very low	33	Very low	125 Å²	125	117.2 Å²	117.2	87%	0.874	63%	0.631	S	S	*	*			trans	-145	49.2	179.5	65.6	0	0	0	0	110.4
82	Q	31.4	Very low	33.8	Very low	159 Å²	159	114 Å²	114	74%	0.743	62%	0.615	S	S	*	*			trans	-113.7	94.9	177.5	-157.7	172.4	-50.1	0	0	107.2	D84	Q82-D84 WeakPolarHBondContact CG-OD1 3.33Å; Q82-D84 PolarHBondContact NE2-OD1 3.05Å; Q82-D84 PolarHBondContact O-N 3.18Å
83	C	33.4	Very low	34.5	Very low	105 Å²	105	107.1 Å²	107.1	71%	0.709	58%	0.578	S	S	*	*			trans	-80	99.6	165	-70.5	0	0	0	0	106	K85 P122	C83-K85 PolarHBondContact O-N 3.18Å; C83-P122 HydrophobicContact CB-CG 3.95Å
84	D	35.1	Very low	35.4	Very low	91 Å²	91	102 Å²	102	49%	0.487	54%	0.541	S	S	.	.			trans	-61.5	133.7	-175.3	-62.6	-50.5	0	0	0	110.6	Q82 L86	Q82-D84 WeakPolarHBondContact CG-OD1 3.33Å; Q82-D84 PolarHBondContact NE2-OD1 3.05Å; Q82-D84 PolarHBondContact O-N 3.18Å; D84-L86 PolarHBondContact O-N 2.96Å
85	K	40.3	Very low	36.6	Very low	118 Å²	118	97 Å²	97	51%	0.513	51%	0.507	S	S	.	.			trans	-82.1	90.5	178.4	-78.6	-174.9	161.4	-155.2	0	109.3	C83 T87 L121	C83-K85 PolarHBondContact O-N 3.18Å; K85-T87 PolarHBondContact O-N 3.39Å; K85-T87 PolarHBondContact O-OG1 2.98Å; K85-L121 HydrophobicContact CG-CD2 4.22Å
86	L	37.6	Very low	37.8	Very low	75 Å²	75	90 Å²	90	39%	0.393	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	110.7	171.4	-87.6	159.2	0	0	0	109.9	D84 V120 E237	D84-L86 PolarHBondContact O-N 2.96Å; L86-V120 HydrophobicContact CB-CB 4.11Å; L86-V120 PolarHBondContact O-N 2.81Å; L86-E237 HydrophobicContact CD2-CG 4.04Å
87	T	40.4	Very low	38.9	Very low	59 Å²	59	87.6 Å²	87.6	36%	0.362	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.2	175.3	-55.8	0	0	0	0	108	K85 A118 Q119	K85-T87 PolarHBondContact O-N 3.39Å; K85-T87 PolarHBondContact O-OG1 2.98Å; T87-A118 WeakPolarHBondContact CA-O 3.18Å; T87-Q119 HydrophobicContact CG2-CG 4.3Å
88	L	38.8	Very low	40.1	Very low	34 Å²	34	84.4 Å²	84.4	18%	0.178	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	110.7	-178.6	-172.7	85.8	0	0	0	109.4	L45 I90 T117 A118 L238 L239	L45-L88 HydrophobicContact CD2-CD1 3.84Å; L45-L88 HydrophobicContact CD2-CD2 4.18Å; L88-I90 HydrophobicContact CD2-CD1 4Å; L88-I90 HydrophobicContact CD2-CG1 4.14Å; L88-I90 HydrophobicContact CG-CG1 4.31Å; L88-T117 CarbonylContact O-C 3.48Å; L88-T117 WeakPolarHBondContact O-CA 3.26Å; L88-A118 HydrophobicContact CB-CB 4.48Å; L88-A118 PolarHBondContact N-O 3.05Å; L88-A118 PolarHBondContact O-N 3.01Å; L88-L238 HydrophobicContact CD1-CD2 3.61Å; L88-L238 HydrophobicContact CD1-CG 4.5Å; L88-L238 HydrophobicContact CG-CD2 4.14Å; L88-L239 HydrophobicContact CD1-CD1 4.31Å
89	T	42.9	Very low	41.6	Very low	47 Å²	47	74.2 Å²	74.2	29%	0.288	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	135.1	169.3	-49.5	0	0	0	0	110.3	E91 Q115 W116 T117 L238	T89-E91 HydrophobicContact CG2-CG 4.36Å; T89-Q115 HydrophobicContact CG2-CG 4.3Å; T89-W116 CarbonylContact C-O 3.49Å; T89-W116 WeakPolarHBondContact CA-O 3.05Å; T89-W116 WeakPolarHBondContact CG2-O 3.43Å; T89-T117 HydrophobicContact CG2-CG2 4.14Å; T89-L238 VanDerWaalsContact O-CD2 3.26Å; T89-L238 WeakPolarHBondContact O-CD2 3.31Å
90	I	40.5	Very low	43.1	Very low	44 Å²	44	70.2 Å²	70.2	23%	0.226	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.7	171.6	-41.8	175.8	0	0	0	108.7	Y42 L45 L88 Q115 W116	Y42-I90 HydrophobicContact CE1-CD1 4.36Å; L45-I90 HydrophobicContact CD1-CD1 4.37Å; L88-I90 HydrophobicContact CD2-CD1 4Å; L88-I90 HydrophobicContact CD2-CG1 4.14Å; L88-I90 HydrophobicContact CG-CG1 4.31Å; I90-Q115 CarbonylContact O-C 3.46Å; I90-Q115 WeakPolarHBondContact O-CA 3.33Å; I90-W116 HydrophobicContact CB-CB 3.88Å; I90-W116 HydrophobicContact CB-CG 4.3Å; I90-W116 HydrophobicContact CG1-CB 4.21Å; I90-W116 PolarHBondContact N-O 3.08Å; I90-W116 WeakPolarHBondContact O-CB 3.49Å; I90-W116 PolarHBondContact O-N 3.04Å
91	E	48.4	Very low	44.6	Very low	43 Å²	43	72.1 Å²	72.1	20%	0.201	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.5	178.3	-74.9	175.1	-167.9	0	0	110.8	T89 E114 Q115	T89-E91 HydrophobicContact CG2-CG 4.36Å; E91-E114 WeakPolarHBondContact CA-O 3.48Å; E91-Q115 HydrophobicContact CG-CB 4.18Å; E91-Q115 HydrophobicContact CG-CG 3.83Å; E91-Q115 PolarHBondContact OE1-NE2 3.05Å
92	T	47.2	Very low	46.1	Very low	42 Å²	42	69.4 Å²	69.4	26%	0.258	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	105.8	172.8	-59.7	0	0	0	0	108.6	M113 E114	T92-M113 HydrophobicContact CG2-CB 4.28Å; T92-M113 WeakPolarHBondContact O-CB 3.46Å; T92-M113 PolarHBondContact O-N 3.39Å; T92-E114 PolarHBondContact N-O 3.24Å
93	L	47.6	Very low	47.3	Very low	9 Å²	9	62.1 Å²	62.1	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.2	180	-59.6	-179.6	0	0	0	111.3	V110 Y111 V112 F180 I241 V243	L93-V110 HydrophobicContact CB-CG1 4.04Å; L93-V110 HydrophobicContact CD1-CG1 4.4Å; L93-V110 HydrophobicContact CD2-CG1 4.28Å; L93-V110 HydrophobicContact CG-CG1 4.47Å; L93-Y111 WeakPolarHBondContact CA-O 3.4Å; L93-V112 HydrophobicContact CD2-CB 4.47Å; L93-V112 HydrophobicContact CD2-CG2 3.9Å; L93-F180 HydrophobicContact CD2-CE1 4.44Å; L93-F180 HydrophobicContact CD2-CZ 4.43Å; L93-I241 HydrophobicContact CD1-CG2 3.96Å; L93-V243 HydrophobicContact CD1-CG2 4.41Å
94	F	46.9	Very low	48.5	Very low	20 Å²	20	59 Å²	59	9%	0.088	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.2	173.6	-170.8	-95.7	0	0	0	110.9	V110 Y111 M113 L246 L249 L254	F94-V110 CarbonylContact O-C 3.58Å; F94-V110 VanDerWaalsContact O-CA 3.31Å; F94-V110 WeakPolarHBondContact O-CA 3.11Å; F94-Y111 HydrophobicContact CD1-CD2 4.23Å; F94-Y111 PolarHBondContact N-O 2.92Å; F94-Y111 PolarHBondContact O-N 2.88Å; F94-M113 HydrophobicContact CB-CG 3.75Å; F94-L246 HydrophobicContact CE2-CB 4.13Å; F94-L246 HydrophobicContact CE2-CD1 4.41Å; F94-L249 HydrophobicContact CE1-CD2 4.33Å; F94-L249 HydrophobicContact CE2-CD1 3.64Å; F94-L249 HydrophobicContact CE2-CD2 3.69Å; F94-L249 HydrophobicContact CE2-CG 4.22Å; F94-L249 HydrophobicContact CZ-CB 4.36Å; F94-L249 HydrophobicContact CZ-CD1 3.95Å; F94-L249 HydrophobicContact CZ-CD2 3.55Å; F94-L249 HydrophobicContact CZ-CG 4.14Å; F94-L254 HydrophobicContact CE1-CD2 4.19Å; F94-L254 HydrophobicContact CZ-CD2 3.99Å
95	V	51.3	Low	49.5	Very low	13 Å²	13	61.4 Å²	61.4	8%	0.079	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.3	-178.8	-169.8	0	0	0	0	109.6	L108 P109 V110 V243 T245	V95-L108 HydrophobicContact CG1-CB 4.04Å; V95-L108 HydrophobicContact CG1-CD2 3.72Å; V95-L108 HydrophobicContact CG1-CG 4.41Å; V95-P109 WeakPolarHBondContact CA-O 3.15Å; V95-V110 HydrophobicContact CG2-CG2 4.41Å; V95-V243 HydrophobicContact CG2-CG1 3.35Å; V95-T245 HydrophobicContact CB-CG2 4.16Å; V95-T245 HydrophobicContact CG2-CG2 4.01Å
96	G	51.9	Low	50.2	Low	6 Å²	6	60.9 Å²	60.9	6%	0.062	33%	0.33	C	S	.	.			trans	-84.6	179.9	176	0	0	0	0	0	113.6	P109	G96-P109 PolarHBondContact N-O 3.35Å
97	E	50.7	Low	50.8	Low	101 Å²	101	60.6 Å²	60.6	47%	0.472	33%	0.327	S	S	.	.			trans	-80.5	149.9	175.2	-77	167.8	178.2	0	0	112.1	C99 L254	E97-C99 PolarHBondContact O-N 3.18Å; E97-C99 VanDerWaalsContact O-N 3.16Å; E97-L254 HydrophobicContact CB-CB 4.43Å; E97-L254 HydrophobicContact CG-CB 3.91Å; E97-L254 HydrophobicContact CG-CD2 4.22Å; E97-L254 PolarHBondContact N-O 3.35Å
98	N	55.2	Low	51.3	Low	79 Å²	79	59.9 Å²	59.9	42%	0.422	32%	0.32	S	S	.	.			trans	-66.6	109.9	176.3	-68.3	10.9	0	0	0	110.3	L108	N98-L108 WeakPolarHBondContact OD1-CD2 3.49Å; N98-L108 WeakPolarHBondContact OD1-CG 3.31Å
99	C	55.9	Low	51.7	Low	30 Å²	30	58.3 Å²	58.3	20%	0.203	31%	0.312	C	S	.	.			trans	-90.9	103.3	169.7	-169.9	0	0	0	0	108.8	E97 E101 H102 C103 C256 C259	E97-C99 PolarHBondContact O-N 3.18Å; E97-C99 VanDerWaalsContact O-N 3.16Å; C99-E101 PolarHBondContact O-N 2.79Å; C99-H102 PolarHBondContact O-N 3.45Å; C99-C103 PolarHBondContact O-N 3.11Å; C99-C256 HydrophobicContact CB-CB 3.19Å; C99-C259 HydrophobicContact CB-CB 4.29Å; C99-C259 WeakPolarHBondContact CB-SG 3.46Å; C99-C259 WeakPolarHBondContact SG-CB 3.27Å; C99-C259 CovalentContact SG-SG 2.06Å; C99-C259 PolarHBondContact SG-SG 2.93Å
100	L	57.3	Low	52	Low	147 Å²	147	56 Å²	56	77%	0.77	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.5	-172.3	-67.5	168.6	0	0	0	115
101	E	57.5	Low	52.5	Low	168 Å²	168	56.1 Å²	56.1	79%	0.785	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-21.9	176.1	-63	-170.1	144.6	0	0	114	C99	C99-E101 PolarHBondContact O-N 2.79Å
102	H	58.8	Low	52.8	Low	67 Å²	67	54.1 Å²	54.1	31%	0.31	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-14	-164.8	-72.1	96.2	0	0	0	114.3	C99 L258 C259	C99-H102 PolarHBondContact O-N 3.45Å; H102-L258 HydrophobicContact CB-CB 3.98Å; H102-L258 HydrophobicContact CB-CD1 4Å; H102-C259 PolarHBondContact ND1-SG 3.12Å
103	C	56.7	Low	53	Low	7 Å²	7	55.7 Å²	55.7	5%	0.047	29%	0.292	C	S	.	.	S	Bend	trans	-120.7	129.1	173.4	-54.5	0	0	0	0	107.9	C99 Q107	C99-C103 PolarHBondContact O-N 3.11Å; C103-Q107 HydrophobicContact CB-CB 4.3Å; C103-Q107 WeakPolarHBondContact CB-O 3.05Å
104	G	56.8	Low	53	Low	40 Å²	40	56.8 Å²	56.8	41%	0.412	30%	0.297	S	S	.	.			trans	-67.3	165.1	170.5	0	0	0	0	0	111.7	N106 Q107	G104-N106 PolarHBondContact O-N 3.37Å; G104-Q107 PolarHBondContact O-N 3.1Å
105	D	56.1	Low	53.1	Low	141 Å²	141	58.5 Å²	58.5	75%	0.754	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-28.7	-173.6	-56.8	-48.7	0	0	0	114.6
106	N	55.5	Low	52.7	Low	107 Å²	107	60.7 Å²	60.7	57%	0.572	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	17.2	179.4	-64.3	-20	0	0	0	113.9	G104 D183 A184	G104-N106 PolarHBondContact O-N 3.37Å; N106-D183 CarbonylContact O-C 3.5Å; N106-D183 WeakPolarHBondContact O-CA 3.29Å; N106-A184 HydrophobicContact CB-CB 4.3Å; N106-A184 PolarHBondContact O-N 3.23Å
107	Q	49.5	Very low	52.3	Low	69 Å²	69	65.3 Å²	65.3	32%	0.322	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133	-176.2	-70.1	179	-14.1	0	0	112.6	C103 G104	C103-Q107 HydrophobicContact CB-CB 4.3Å; C103-Q107 WeakPolarHBondContact CB-O 3.05Å; G104-Q107 PolarHBondContact O-N 3.1Å
108	L	52.1	Low	51.8	Low	43 Å²	43	62.8 Å²	62.8	23%	0.225	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.1	178.7	-82.8	144.4	0	0	0	110.3	V95 N98 M182 I187	V95-L108 HydrophobicContact CG1-CB 4.04Å; V95-L108 HydrophobicContact CG1-CD2 3.72Å; V95-L108 HydrophobicContact CG1-CG 4.41Å; N98-L108 WeakPolarHBondContact OD1-CD2 3.49Å; N98-L108 WeakPolarHBondContact OD1-CG 3.31Å; L108-M182 PolarHBondContact N-O 3.49Å; L108-M182 PolarHBondContact O-N 3.35Å; L108-I187 HydrophobicContact CB-CD1 4.37Å; L108-I187 HydrophobicContact CD1-CD1 3.35Å; L108-I187 HydrophobicContact CG-CD1 4.47Å
109	P	47.8	Very low	51.1	Low	1 Å²	1	64.6 Å²	64.6	1%	0.006	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.7	174.5	29.9	-31.6	0	0	0	110.6	V95 G96 L181	V95-P109 WeakPolarHBondContact CA-O 3.15Å; G96-P109 PolarHBondContact N-O 3.35Å; P109-L181 HydrophobicContact CB-CD2 4.32Å
110	V	49.3	Very low	50.5	Low	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.5	-179.9	-174.7	0	0	0	0	110.1	L93 F94 V95 S179 F180 M182	L93-V110 HydrophobicContact CB-CG1 4.04Å; L93-V110 HydrophobicContact CD1-CG1 4.4Å; L93-V110 HydrophobicContact CD2-CG1 4.28Å; L93-V110 HydrophobicContact CG-CG1 4.47Å; F94-V110 CarbonylContact O-C 3.58Å; F94-V110 VanDerWaalsContact O-CA 3.31Å; F94-V110 WeakPolarHBondContact O-CA 3.11Å; V95-V110 HydrophobicContact CG2-CG2 4.41Å; V110-S179 CarbonylContact O-C 3.59Å; V110-S179 VanDerWaalsContact O-CA 3.29Å; V110-S179 WeakPolarHBondContact O-CA 3.26Å; V110-F180 HydrophobicContact CB-CD2 4.18Å; V110-F180 HydrophobicContact CB-CE1 4.16Å; V110-F180 HydrophobicContact CB-CE2 3.82Å; V110-F180 HydrophobicContact CB-CZ 3.81Å; V110-F180 HydrophobicContact CG1-CE1 3.93Å; V110-F180 HydrophobicContact CG1-CE2 4Å; V110-F180 HydrophobicContact CG1-CZ 3.52Å; V110-F180 HydrophobicContact CG2-CE2 4.31Å; V110-F180 PolarHBondContact N-O 2.93Å; V110-F180 PolarHBondContact O-N 3.3Å; V110-M182 HydrophobicContact CG2-CB 3.64Å; V110-M182 HydrophobicContact CG2-CE 4.07Å; V110-M182 HydrophobicContact CG2-SD 4.31Å
111	Y	50	Low	49.7	Very low	45 Å²	45	64.5 Å²	64.5	18%	0.176	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.6	-178.4	-57.1	-102.3	0	0	0	111	L93 F94 G255 P257	L93-Y111 WeakPolarHBondContact CA-O 3.4Å; F94-Y111 HydrophobicContact CD1-CD2 4.23Å; F94-Y111 PolarHBondContact N-O 2.92Å; F94-Y111 PolarHBondContact O-N 2.88Å; Y111-G255 PolarHBondContact OH-O 2.82Å; Y111-P257 HydrophobicContact CE1-CB 3.95Å; Y111-P257 HydrophobicContact CE1-CG 4.14Å; Y111-P257 VanDerWaalsContact OH-CD 3.23Å; Y111-P257 WeakPolarHBondContact OH-CD 3.47Å
112	V	54.3	Low	48.9	Very low	1 Å²	1	60 Å²	60	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	106	172	-173.2	0	0	0	0	109.8	L93 H175 G177 D178 F180	L93-V112 HydrophobicContact CD2-CB 4.47Å; L93-V112 HydrophobicContact CD2-CG2 3.9Å; V112-H175 WeakPolarHBondContact CB-O 3.23Å; V112-G177 PolarHBondContact O-N 3.36Å; V112-D178 HydrophobicContact CG2-CB 4.42Å; V112-D178 PolarHBondContact N-O 3.24Å; V112-F180 HydrophobicContact CG2-CE1 4.12Å
113	M	50.8	Low	48	Very low	76 Å²	76	63 Å²	63	37%	0.374	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-40.8	-175.2	-74.1	-64.1	-57.2	0	0	114.1	T92 F94 L148 V176	T92-M113 HydrophobicContact CG2-CB 4.28Å; T92-M113 WeakPolarHBondContact O-CB 3.46Å; T92-M113 PolarHBondContact O-N 3.39Å; F94-M113 HydrophobicContact CB-CG 3.75Å; M113-L148 HydrophobicContact CE-CD1 4.46Å; M113-V176 WeakPolarHBondContact O-CG1 3.44Å
114	E	49.3	Very low	46.8	Very low	32 Å²	32	67.8 Å²	67.8	15%	0.15	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	143.5	173.9	-71.3	-169.5	-179.5	0	0	108.8	E91 T92 W116	E91-E114 WeakPolarHBondContact CA-O 3.48Å; T92-E114 PolarHBondContact N-O 3.24Å; E114-W116 PolarHBondContact OE2-NE1 3.46Å
115	Q	47.6	Very low	46	Very low	55 Å²	55	72 Å²	72	26%	0.257	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.6	173.6	-178.7	-176	62.1	0	0	109.3	T89 I90 E91 S174 V176	T89-Q115 HydrophobicContact CG2-CG 4.3Å; I90-Q115 CarbonylContact O-C 3.46Å; I90-Q115 WeakPolarHBondContact O-CA 3.33Å; E91-Q115 HydrophobicContact CG-CB 4.18Å; E91-Q115 HydrophobicContact CG-CG 3.83Å; E91-Q115 PolarHBondContact OE1-NE2 3.05Å; Q115-S174 PolarHBondContact NE2-O 3.21Å; Q115-S174 PolarHBondContact OE1-O 3.28Å; Q115-V176 HydrophobicContact CB-CG2 3.61Å
116	W	44.4	Very low	45.3	Very low	60 Å²	60	74.3 Å²	74.3	23%	0.227	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	143.1	-179.3	-69	80.7	0	0	0	109.7	T89 I90 E114 Y142	T89-W116 CarbonylContact C-O 3.49Å; T89-W116 WeakPolarHBondContact CA-O 3.05Å; T89-W116 WeakPolarHBondContact CG2-O 3.43Å; I90-W116 HydrophobicContact CB-CB 3.88Å; I90-W116 HydrophobicContact CB-CG 4.3Å; I90-W116 HydrophobicContact CG1-CB 4.21Å; I90-W116 PolarHBondContact N-O 3.08Å; I90-W116 WeakPolarHBondContact O-CB 3.49Å; I90-W116 PolarHBondContact O-N 3.04Å; E114-W116 PolarHBondContact OE2-NE1 3.46Å; W116-Y142 AromaticContact CH2-CD1 3.28Å; W116-Y142 HydrophobicContact CH2-CD1 3.28Å; W116-Y142 AromaticContact CH2-CD2 3.83Å; W116-Y142 HydrophobicContact CH2-CD2 3.83Å; W116-Y142 AromaticContact CH2-CE1 3.33Å; W116-Y142 HydrophobicContact CH2-CE1 3.33Å; W116-Y142 AromaticContact CH2-CE2 3.82Å; W116-Y142 HydrophobicContact CH2-CE2 3.82Å; W116-Y142 AromaticContact CH2-CG 3.57Å; W116-Y142 HydrophobicContact CH2-CG 3.57Å; W116-Y142 AromaticContact CH2-CZ 3.58Å; W116-Y142 AromaticContact CZ2-CD1 3.46Å; W116-Y142 HydrophobicContact CZ2-CD1 3.46Å; W116-Y142 VanDerWaalsContact CZ2-CD1 3.46Å; W116-Y142 AromaticContact CZ2-CE1 3.16Å; W116-Y142 HydrophobicContact CZ2-CE1 3.16Å; W116-Y142 HydrophobicContact CZ2-CE2 4.36Å; W116-Y142 HydrophobicContact CZ2-CG 4.23Å; W116-Y142 AromaticContact CZ2-CZ 3.65Å; W116-Y142 HydrophobicContact CZ3-CD1 4.43Å; W116-Y142 HydrophobicContact CZ3-CG 4.49Å
117	T	42.7	Very low	44.6	Very low	102 Å²	102	75.5 Å²	75.5	63%	0.626	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	122.2	165	44.3	0	0	0	0	110.1	L88 T89	L88-T117 CarbonylContact O-C 3.48Å; L88-T117 WeakPolarHBondContact O-CA 3.26Å; T89-T117 HydrophobicContact CG2-CG2 4.14Å
118	A	39.6	Very low	43.7	Very low	49 Å²	49	84.5 Å²	84.5	41%	0.405	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.9	-178.8	0	0	0	0	0	111.3	T87 L88	T87-A118 WeakPolarHBondContact CA-O 3.18Å; L88-A118 HydrophobicContact CB-CB 4.48Å; L88-A118 PolarHBondContact N-O 3.05Å; L88-A118 PolarHBondContact O-N 3.01Å
119	Q	41.6	Very low	42.8	Very low	117 Å²	117	84.6 Å²	84.6	55%	0.547	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	104.5	176.8	-70.2	-175.2	26.8	0	0	110.7	T87 L121	T87-Q119 HydrophobicContact CG2-CG 4.3Å; Q119-L121 PolarHBondContact O-N 3.06Å
120	V	42.4	Very low	42.5	Very low	57 Å²	57	89.9 Å²	89.9	35%	0.345	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	103.1	174.2	-176.6	0	0	0	0	108.9	L86	L86-V120 HydrophobicContact CB-CB 4.11Å; L86-V120 PolarHBondContact O-N 2.81Å
121	L	41.4	Very low	42	Very low	117 Å²	117	91.6 Å²	91.6	61%	0.613	48%	0.476	S	S	*	.			trans	-81.9	121.8	173.2	-73.4	167.5	0	0	0	110.1	K85 Q119 Q123	K85-L121 HydrophobicContact CG-CD2 4.22Å; Q119-L121 PolarHBondContact O-N 3.06Å; L121-Q123 PolarHBondContact O-N 3.48Å
122	P	40.8	Very low	41.6	Very low	74 Å²	74	92.1 Å²	92.1	48%	0.481	48%	0.482	S	S	.	.			trans	-62.9	133.7	175.5	24.5	-32.2	0	0	0	110.6	C83 N124	C83-P122 HydrophobicContact CB-CG 3.95Å; P122-N124 PolarHBondContact O-N 2.77Å
123	Q	38.8	Very low	41.2	Very low	131 Å²	131	95 Å²	95	61%	0.612	50%	0.502	S	S	*	.			trans	-62.6	110.6	-172.1	-71.1	-168.5	-8.8	0	0	112.2	L121 P125 I130	L121-Q123 PolarHBondContact O-N 3.48Å; Q123-P125 WeakPolarHBondContact O-CD 3.46Å; Q123-I130 PolarHBondContact NE2-O 2.78Å
124	N	32.6	Very low	41.1	Very low	106 Å²	106	95.2 Å²	95.2	57%	0.567	51%	0.505	S	S	*	.			trans	-72.2	118.8	169.2	-177.1	-18.7	0	0	0	108.9	P122 K126 N127	P122-N124 PolarHBondContact O-N 2.77Å; N124-K126 PolarHBondContact O-N 3.5Å; N124-N127 PolarHBondContact O-N 3.28Å
125	P	39.9	Very low	40.8	Very low	129 Å²	129	96.3 Å²	96.3	84%	0.838	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	23.9	-167.7	30.4	-38.3	0	0	0	115.5	Q123	Q123-P125 WeakPolarHBondContact O-CD 3.46Å
126	K	41.7	Very low	40.5	Very low	189 Å²	189	97.1 Å²	97.1	82%	0.822	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	-12.6	175	-68.5	-170.2	175.5	-174.8	0	114.7	N124	N124-K126 PolarHBondContact O-N 3.5Å
127	N	39	Very low	40.9	Very low	132 Å²	132	99.5 Å²	99.5	71%	0.706	54%	0.535	S	S	*	.	S	Bend	trans	-108.7	147.8	172.4	-82.8	-2.9	0	0	0	110.3	N124 G129	N124-N127 PolarHBondContact O-N 3.28Å; N127-G129 VanDerWaalsContact C-N 3.25Å; N127-G129 PolarHBondContact O-N 3.02Å
128	R	32.2	Very low	41.3	Very low	259 Å²	259	100.9 Å²	100.9	98%	0.977	54%	0.535	S	S	*	.			trans	-70.1	85.3	166.5	-70.1	-178.4	178.3	175.8	-1	108.7
129	G	33.6	Very low	41.6	Very low	44 Å²	44	101.3 Å²	101.3	45%	0.454	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-66.2	149.5	168.8	0	0	0	0	0	110.7	N127 S131	N127-G129 VanDerWaalsContact C-N 3.25Å; N127-G129 PolarHBondContact O-N 3.02Å; G129-S131 PolarHBondContact O-N 3.36Å
130	I	40.4	Very low	42	Very low	113 Å²	113	99.6 Å²	99.6	58%	0.579	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-54	134.8	169.3	-60.4	176	0	0	0	108	Q123 D134	Q123-I130 PolarHBondContact NE2-O 2.78Å; I130-D134 HydrophobicContact CG2-CB 3.58Å
131	S	38.7	Very low	42.6	Very low	35 Å²	35	101.5 Å²	101.5	25%	0.245	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-78.7	154.3	179.9	75.1	0	0	0	0	110.6	G129 S133 D134 C135	G129-S131 PolarHBondContact O-N 3.36Å; S131-S133 PolarHBondContact O-N 2.79Å; S131-S133 PolarHBondContact OG-OG 2.95Å; S131-D134 WeakPolarHBondContact CA-OD2 3.45Å; S131-D134 VanDerWaalsContact CB-OD2 3.23Å; S131-D134 WeakPolarHBondContact CB-OD2 3.37Å; S131-D134 PolarHBondContact N-OD2 3.46Å; S131-D134 WeakPolarHBondContact O-CB 3.38Å; S131-D134 PolarHBondContact O-N 3.48Å; S131-D134 PolarHBondContact OG-N 3.04Å; S131-D134 VanDerWaalsContact OG-N 3.15Å; S131-D134 PolarHBondContact OG-OD1 3.46Å; S131-D134 PolarHBondContact OG-OD2 3.49Å; S131-C135 PolarHBondContact O-N 2.93Å
132	I	41.9	Very low	42.9	Very low	56 Å²	56	99.7 Å²	99.7	29%	0.287	52%	0.518	S	S	.	.	H	α-helix	trans	-58.8	-33.6	176.6	-62.9	169	0	0	0	110.2	I49 C135 Q136	I49-I132 HydrophobicContact CG2-CD1 3.88Å; I49-I132 HydrophobicContact CG2-CG1 4.42Å; I132-C135 PolarHBondContact O-N 2.68Å; I132-Q136 VanDerWaalsContact O-CG 3.27Å; I132-Q136 WeakPolarHBondContact O-CG 3.12Å; I132-Q136 PolarHBondContact O-N 3.04Å
133	S	45.1	Very low	43.2	Very low	62 Å²	62	96.9 Å²	96.9	43%	0.434	50%	0.499	S	S	.	.	H	α-helix	trans	-63.2	-36	171.5	29	0	0	0	0	114.3	S131 Q136 I137	S131-S133 PolarHBondContact O-N 2.79Å; S131-S133 PolarHBondContact OG-OG 2.95Å; S133-Q136 WeakPolarHBondContact O-CB 3.34Å; S133-Q136 PolarHBondContact O-N 3.37Å; S133-I137 WeakPolarHBondContact O-CD1 3.34Å; S133-I137 VanDerWaalsContact O-CG1 3.28Å; S133-I137 WeakPolarHBondContact O-CG1 3.46Å; S133-I137 PolarHBondContact O-N 2.92Å
134	D	48.9	Very low	43.7	Very low	81 Å²	81	96 Å²	96	43%	0.433	49%	0.494	S	S	.	.	H	α-helix	trans	-68.4	-43.9	176.1	-55.7	-47.5	0	0	0	110.1	I130 S131 Q136 I137 E138	I130-D134 HydrophobicContact CG2-CB 3.58Å; S131-D134 WeakPolarHBondContact CA-OD2 3.45Å; S131-D134 VanDerWaalsContact CB-OD2 3.23Å; S131-D134 WeakPolarHBondContact CB-OD2 3.37Å; S131-D134 PolarHBondContact N-OD2 3.46Å; S131-D134 WeakPolarHBondContact O-CB 3.38Å; S131-D134 PolarHBondContact O-N 3.48Å; S131-D134 PolarHBondContact OG-N 3.04Å; S131-D134 VanDerWaalsContact OG-N 3.15Å; S131-D134 PolarHBondContact OG-OD1 3.46Å; S131-D134 PolarHBondContact OG-OD2 3.49Å; D134-Q136 VanDerWaalsContact C-N 3.32Å; D134-Q136 PolarHBondContact O-N 3.04Å; D134-I137 PolarHBondContact O-N 3.48Å; D134-I137 VanDerWaalsContact O-N 3.14Å; D134-E138 PolarHBondContact O-N 2.94Å
135	C	42.9	Very low	44.7	Very low	55 Å²	55	94.9 Å²	94.9	37%	0.372	49%	0.492	S	S	.	.	H	α-helix	trans	-63.4	-34.8	174.6	-64.2	0	0	0	0	112.8	S131 I132 L139	S131-C135 PolarHBondContact O-N 2.93Å; I132-C135 PolarHBondContact O-N 2.68Å; C135-L139 WeakPolarHBondContact O-CB 3.48Å; C135-L139 WeakPolarHBondContact O-CG 3.5Å; C135-L139 PolarHBondContact O-N 3.19Å
136	Q	42.7	Very low	45.2	Very low	71 Å²	71	89 Å²	89	33%	0.332	45%	0.454	S	S	.	.	H	α-helix	trans	-61.7	-44.2	171.6	-74.8	166.1	14.2	0	0	111.4	V46 I132 S133 D134 L140	V46-Q136 VanDerWaalsContact CG1-NE2 3.27Å; V46-Q136 HydrophobicContact CG2-CG 3.7Å; V46-Q136 VanDerWaalsContact CG2-NE2 3.34Å; I132-Q136 VanDerWaalsContact O-CG 3.27Å; I132-Q136 WeakPolarHBondContact O-CG 3.12Å; I132-Q136 PolarHBondContact O-N 3.04Å; S133-Q136 WeakPolarHBondContact O-CB 3.34Å; S133-Q136 PolarHBondContact O-N 3.37Å; D134-Q136 VanDerWaalsContact C-N 3.32Å; D134-Q136 PolarHBondContact O-N 3.04Å; Q136-L140 VanDerWaalsContact O-CB 3.29Å; Q136-L140 WeakPolarHBondContact O-CB 3.42Å; Q136-L140 WeakPolarHBondContact O-CD1 3.38Å; Q136-L140 WeakPolarHBondContact O-CG 3.37Å; Q136-L140 PolarHBondContact O-N 2.92Å
137	I	52.9	Low	45.4	Very low	111 Å²	111	81.7 Å²	81.7	57%	0.569	43%	0.425	S	S	*	.	H	α-helix	trans	-66.2	-47.2	179.8	-68.9	163.1	0	0	0	110.5	S133 D134 L139 L140 D141	S133-I137 WeakPolarHBondContact O-CD1 3.34Å; S133-I137 VanDerWaalsContact O-CG1 3.28Å; S133-I137 WeakPolarHBondContact O-CG1 3.46Å; S133-I137 PolarHBondContact O-N 2.92Å; D134-I137 PolarHBondContact O-N 3.48Å; D134-I137 VanDerWaalsContact O-N 3.14Å; I137-L139 PolarHBondContact O-N 3.31Å; I137-L140 PolarHBondContact O-N 3.05Å; I137-D141 WeakPolarHBondContact O-CB 3.47Å; I137-D141 PolarHBondContact O-N 2.98Å
138	E	50.2	Low	45.9	Very low	131 Å²	131	77.8 Å²	77.8	61%	0.612	40%	0.404	S	S	*	.	H	α-helix	trans	-60.5	-43	179.2	-171.2	173.2	-158.8	0	0	112.2	D134 Y142	D134-E138 PolarHBondContact O-N 2.94Å; E138-Y142 PolarHBondContact O-N 3.25Å; E138-Y142 VanDerWaalsContact O-N 3.09Å
139	L	45.4	Very low	46.8	Very low	58 Å²	58	65.7 Å²	65.7	30%	0.304	36%	0.359	S	S	.	.	H	α-helix	trans	-65.3	-44.4	173.8	-77	166.5	0	0	0	112.4	Y42 C135 I137 Y142 I143	Y42-L139 HydrophobicContact CD1-CD1 4.31Å; Y42-L139 HydrophobicContact CE1-CD1 4.19Å; Y42-L139 HydrophobicContact CE1-CD2 4.28Å; C135-L139 WeakPolarHBondContact O-CB 3.48Å; C135-L139 WeakPolarHBondContact O-CG 3.5Å; C135-L139 PolarHBondContact O-N 3.19Å; I137-L139 PolarHBondContact O-N 3.31Å; L139-Y142 PolarHBondContact O-N 3.25Å; L139-I143 WeakPolarHBondContact O-CD1 3.3Å; L139-I143 WeakPolarHBondContact O-CG1 3.29Å; L139-I143 PolarHBondContact O-N 3.03Å
140	L	51.5	Low	47.7	Very low	80 Å²	80	66.6 Å²	66.6	42%	0.419	36%	0.356	S	S	.	.	H	α-helix	trans	-67.4	-34.2	-179.5	-76.4	169.8	0	0	0	113.2	Q136 I137 Q144	Q136-L140 VanDerWaalsContact O-CB 3.29Å; Q136-L140 WeakPolarHBondContact O-CB 3.42Å; Q136-L140 WeakPolarHBondContact O-CD1 3.38Å; Q136-L140 WeakPolarHBondContact O-CG 3.37Å; Q136-L140 PolarHBondContact O-N 2.92Å; I137-L140 PolarHBondContact O-N 3.05Å; L140-Q144 WeakPolarHBondContact O-CG 3.38Å; L140-Q144 PolarHBondContact O-N 3.23Å; L140-Q144 PolarHBondContact O-NE2 3.33Å
141	D	54.5	Low	48	Very low	98 Å²	98	63 Å²	63	52%	0.524	34%	0.343	S	S	.	.	H	α-helix	trans	-71.7	-43.7	176.1	-169	55.7	0	0	0	111.1	I137 I143 Q144 T145	I137-D141 WeakPolarHBondContact O-CB 3.47Å; I137-D141 PolarHBondContact O-N 2.98Å; D141-I143 PolarHBondContact O-N 2.9Å; D141-Q144 PolarHBondContact O-N 3.01Å; D141-T145 WeakPolarHBondContact O-CG2 3.27Å; D141-T145 PolarHBondContact O-N 2.99Å; D141-T145 PolarHBondContact O-OG1 2.86Å
142	Y	48.2	Very low	48.4	Very low	78 Å²	78	62.8 Å²	62.8	31%	0.306	34%	0.339	S	S	.	.	H	α-helix	trans	-57.6	-48.8	172.8	-176.3	-79.8	0	0	0	111.6	W116 E138 L139 Q144 T145 S146	W116-Y142 AromaticContact CH2-CD1 3.28Å; W116-Y142 HydrophobicContact CH2-CD1 3.28Å; W116-Y142 AromaticContact CH2-CD2 3.83Å; W116-Y142 HydrophobicContact CH2-CD2 3.83Å; W116-Y142 AromaticContact CH2-CE1 3.33Å; W116-Y142 HydrophobicContact CH2-CE1 3.33Å; W116-Y142 AromaticContact CH2-CE2 3.82Å; W116-Y142 HydrophobicContact CH2-CE2 3.82Å; W116-Y142 AromaticContact CH2-CG 3.57Å; W116-Y142 HydrophobicContact CH2-CG 3.57Å; W116-Y142 AromaticContact CH2-CZ 3.58Å; W116-Y142 AromaticContact CZ2-CD1 3.46Å; W116-Y142 HydrophobicContact CZ2-CD1 3.46Å; W116-Y142 VanDerWaalsContact CZ2-CD1 3.46Å; W116-Y142 AromaticContact CZ2-CE1 3.16Å; W116-Y142 HydrophobicContact CZ2-CE1 3.16Å; W116-Y142 HydrophobicContact CZ2-CE2 4.36Å; W116-Y142 HydrophobicContact CZ2-CG 4.23Å; W116-Y142 AromaticContact CZ2-CZ 3.65Å; W116-Y142 HydrophobicContact CZ3-CD1 4.43Å; W116-Y142 HydrophobicContact CZ3-CG 4.49Å; E138-Y142 PolarHBondContact O-N 3.25Å; E138-Y142 VanDerWaalsContact O-N 3.09Å; L139-Y142 PolarHBondContact O-N 3.25Å; Y142-Q144 PolarHBondContact O-N 3.42Å; Y142-T145 WeakPolarHBondContact CA-OG1 3.19Å; Y142-T145 CarbonylContact O-C 3.6Å; Y142-T145 PolarHBondContact O-N 2.88Å; Y142-T145 PolarHBondContact O-OG1 2.87Å; Y142-S146 WeakPolarHBondContact O-CA 3.25Å; Y142-S146 WeakPolarHBondContact O-CB 3.39Å; Y142-S146 PolarHBondContact O-N 2.91Å
143	I	47	Very low	48.8	Very low	16 Å²	16	65.8 Å²	65.8	8%	0.082	35%	0.35	C	S	.	.	H	α-helix	trans	-58.4	-39.8	-179.2	-64.7	153.6	0	0	0	110.6	L35 Y42 L139 D141 T145 M149	L35-I143 HydrophobicContact CD2-CG2 4.31Å; Y42-I143 HydrophobicContact CD2-CD1 3.72Å; Y42-I143 HydrophobicContact CE1-CD1 4.43Å; Y42-I143 HydrophobicContact CE2-CD1 3.18Å; Y42-I143 HydrophobicContact CE2-CG1 4.23Å; L139-I143 WeakPolarHBondContact O-CD1 3.3Å; L139-I143 WeakPolarHBondContact O-CG1 3.29Å; L139-I143 PolarHBondContact O-N 3.03Å; D141-I143 PolarHBondContact O-N 2.9Å; I143-T145 VanDerWaalsContact C-N 3.32Å; I143-T145 PolarHBondContact O-N 2.69Å; I143-M149 VanDerWaalsContact O-CB 3.29Å; I143-M149 WeakPolarHBondContact O-CB 3.44Å; I143-M149 WeakPolarHBondContact O-CG 3.26Å
144	Q	48.8	Very low	49	Very low	111 Å²	111	68.1 Å²	68.1	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-71.6	-26.1	178.9	-73.6	175.8	76	0	0	113.3	L140 D141 Y142 K153	L140-Q144 WeakPolarHBondContact O-CG 3.38Å; L140-Q144 PolarHBondContact O-N 3.23Å; L140-Q144 PolarHBondContact O-NE2 3.33Å; D141-Q144 PolarHBondContact O-N 3.01Å; Y142-Q144 PolarHBondContact O-N 3.42Å; Q144-K153 PolarHBondContact O-NZ 3.02Å
145	T	53.6	Low	48.6	Very low	84 Å²	84	68.4 Å²	68.4	52%	0.515	36%	0.36	S	S	.	.	H	α-helix	trans	-99.8	-5	179.7	54.6	0	0	0	0	114.2	D141 Y142 I143	D141-T145 WeakPolarHBondContact O-CG2 3.27Å; D141-T145 PolarHBondContact O-N 2.99Å; D141-T145 PolarHBondContact O-OG1 2.86Å; Y142-T145 WeakPolarHBondContact CA-OG1 3.19Å; Y142-T145 CarbonylContact O-C 3.6Å; Y142-T145 PolarHBondContact O-N 2.88Å; Y142-T145 PolarHBondContact O-OG1 2.87Å; I143-T145 VanDerWaalsContact C-N 3.32Å; I143-T145 PolarHBondContact O-N 2.69Å
146	S	50.6	Low	48.2	Very low	5 Å²	5	69.3 Å²	69.3	4%	0.035	38%	0.379	C	S	.	.			trans	-62	153.2	-167.6	91.7	0	0	0	0	113.5	Y142 L148 M149 T150	Y142-S146 WeakPolarHBondContact O-CA 3.25Å; Y142-S146 WeakPolarHBondContact O-CB 3.39Å; Y142-S146 PolarHBondContact O-N 2.91Å; S146-L148 PolarHBondContact O-N 2.99Å; S146-L148 PolarHBondContact OG-N 2.85Å; S146-M149 PolarHBondContact O-N 2.77Å; S146-M149 VanDerWaalsContact O-N 3.16Å; S146-M149 PolarHBondContact OG-N 2.64Å; S146-T150 WeakPolarHBondContact O-CB 3.44Å; S146-T150 PolarHBondContact O-N 3.14Å; S146-T150 PolarHBondContact O-OG1 3.19Å
147	P	46.5	Very low	47.8	Very low	35 Å²	35	75.3 Å²	75.3	23%	0.227	40%	0.398	C	S	.	.	H	α-helix	trans	-58	-37.9	176.2	-24	34.5	0	0	0	112.3	T150 A151 M332	P147-T150 PolarHBondContact O-N 3.09Å; P147-A151 WeakPolarHBondContact O-CB 3.26Å; P147-A151 PolarHBondContact O-N 3.37Å; P147-M332 HydrophobicContact CB-CE 3.83Å; P147-M332 HydrophobicContact CB-CG 3.89Å; P147-M332 HydrophobicContact CB-SD 3.72Å
148	L	48.4	Very low	46.8	Very low	50 Å²	50	74.9 Å²	74.9	26%	0.262	40%	0.403	S	S	.	.	H	α-helix	trans	-62.2	-50.6	173.9	-178.2	68.7	0	0	0	111.4	M113 S146 T150 A151 I152	M113-L148 HydrophobicContact CE-CD1 4.46Å; S146-L148 PolarHBondContact O-N 2.99Å; S146-L148 PolarHBondContact OG-N 2.85Å; L148-T150 VanDerWaalsContact C-N 3.26Å; L148-T150 PolarHBondContact O-N 3.13Å; L148-A151 PolarHBondContact O-N 3.38Å; L148-I152 HydrophobicContact CD1-CD1 4.15Å; L148-I152 HydrophobicContact CG-CD1 3.91Å; L148-I152 WeakPolarHBondContact O-CB 3.43Å; L148-I152 VanDerWaalsContact O-CG1 3.26Å; L148-I152 WeakPolarHBondContact O-CG1 3.44Å; L148-I152 PolarHBondContact O-N 3.34Å
149	M	50.9	Low	45.6	Very low	5 Å²	5	72.6 Å²	72.6	3%	0.025	39%	0.389	C	S	.	.	H	α-helix	trans	-67.7	-26.7	178.6	-85.7	-56.4	-52.3	0	0	112.8	L35 I143 S146 I152 K153	L35-M149 HydrophobicContact CD1-CE 4.02Å; L35-M149 HydrophobicContact CD2-CE 4.02Å; L35-M149 HydrophobicContact CD2-SD 4.07Å; L35-M149 HydrophobicContact CG-CE 4.13Å; L35-M149 HydrophobicContact CG-SD 4.31Å; I143-M149 VanDerWaalsContact O-CB 3.29Å; I143-M149 WeakPolarHBondContact O-CB 3.44Å; I143-M149 WeakPolarHBondContact O-CG 3.26Å; S146-M149 PolarHBondContact O-N 2.77Å; S146-M149 VanDerWaalsContact O-N 3.16Å; S146-M149 PolarHBondContact OG-N 2.64Å; M149-I152 HydrophobicContact CE-CG2 4.25Å; M149-I152 HydrophobicContact SD-CB 4.45Å; M149-I152 HydrophobicContact SD-CD1 4.24Å; M149-I152 HydrophobicContact SD-CG2 4.22Å; M149-K153 HydrophobicContact CE-CG 4.42Å; M149-K153 VanDerWaalsContact O-CB 3.31Å; M149-K153 WeakPolarHBondContact O-CB 3.44Å; M149-K153 WeakPolarHBondContact O-CD 3.46Å; M149-K153 WeakPolarHBondContact O-CG 3.47Å; M149-K153 PolarHBondContact O-N 3.37Å
150	T	52.2	Low	44.8	Very low	63 Å²	63	79.9 Å²	79.9	39%	0.387	41%	0.412	S	S	.	.	H	α-helix	trans	-70.3	-46.7	172.5	-57.2	0	0	0	0	111.1	S146 P147 L148 I152 K153 E154	S146-T150 WeakPolarHBondContact O-CB 3.44Å; S146-T150 PolarHBondContact O-N 3.14Å; S146-T150 PolarHBondContact O-OG1 3.19Å; P147-T150 PolarHBondContact O-N 3.09Å; L148-T150 VanDerWaalsContact C-N 3.26Å; L148-T150 PolarHBondContact O-N 3.13Å; T150-I152 VanDerWaalsContact C-N 3.27Å; T150-I152 PolarHBondContact O-N 3.49Å; T150-K153 PolarHBondContact O-N 2.91Å; T150-E154 PolarHBondContact O-N 2.69Å
151	A	47.1	Very low	43.6	Very low	38 Å²	38	80.2 Å²	80.2	31%	0.314	41%	0.408	S	S	.	.	H	α-helix	trans	-62.2	-33.6	174	0	0	0	0	0	112.8	P147 L148 Y161	P147-A151 WeakPolarHBondContact O-CB 3.26Å; P147-A151 PolarHBondContact O-N 3.37Å; L148-A151 PolarHBondContact O-N 3.38Å; A151-Y161 HydrophobicContact CB-CE2 4.34Å
152	I	46.3	Very low	42.3	Very low	31 Å²	31	83.1 Å²	83.1	16%	0.159	42%	0.416	C	S	.	.	H	α-helix	trans	-72.4	-27.8	173.6	-72.6	170.5	0	0	0	112.2	C31 I34 L148 M149 T150	C31-I152 HydrophobicContact CB-CG2 3.99Å; C31-I152 WeakPolarHBondContact SG-CG2 3.46Å; I34-I152 HydrophobicContact CD1-CD1 4.03Å; L148-I152 HydrophobicContact CD1-CD1 4.15Å; L148-I152 HydrophobicContact CG-CD1 3.91Å; L148-I152 WeakPolarHBondContact O-CB 3.43Å; L148-I152 VanDerWaalsContact O-CG1 3.26Å; L148-I152 WeakPolarHBondContact O-CG1 3.44Å; L148-I152 PolarHBondContact O-N 3.34Å; M149-I152 HydrophobicContact CE-CG2 4.25Å; M149-I152 HydrophobicContact SD-CB 4.45Å; M149-I152 HydrophobicContact SD-CD1 4.24Å; M149-I152 HydrophobicContact SD-CG2 4.22Å; T150-I152 VanDerWaalsContact C-N 3.27Å; T150-I152 PolarHBondContact O-N 3.49Å
153	K	51.8	Low	41.2	Very low	119 Å²	119	84.3 Å²	84.3	52%	0.517	43%	0.427	S	S	.	.	H	α-helix	trans	-81.5	-17.8	177.7	-79.3	166	179.8	179.6	0	114.4	Q144 M149 T150 P155	Q144-K153 PolarHBondContact O-NZ 3.02Å; M149-K153 HydrophobicContact CE-CG 4.42Å; M149-K153 VanDerWaalsContact O-CB 3.31Å; M149-K153 WeakPolarHBondContact O-CB 3.44Å; M149-K153 WeakPolarHBondContact O-CD 3.46Å; M149-K153 WeakPolarHBondContact O-CG 3.47Å; M149-K153 PolarHBondContact O-N 3.37Å; T150-K153 PolarHBondContact O-N 2.91Å; K153-P155 WeakPolarHBondContact O-CD 3.49Å
154	E	49.5	Very low	40.2	Very low	111 Å²	111	88.7 Å²	88.7	52%	0.519	46%	0.455	S	S	.	.			trans	-107.1	69	179.1	-67.5	-161.1	154.3	0	0	114.1	T150 G156 R159	T150-E154 PolarHBondContact O-N 2.69Å; E154-G156 PolarHBondContact O-N 2.97Å; E154-G156 VanDerWaalsContact O-N 3.1Å; E154-R159 IonicContact OE2-NH2 3.61Å; E154-R159 PolarHBondContact OE2-NH2 3.42Å
155	P	39.7	Very low	39.1	Very low	87 Å²	87	89.4 Å²	89.4	57%	0.565	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	109.7	168	26.5	-30.5	0	0	0	110.8	L27 K153	L27-P155 HydrophobicContact CD2-CB 3.78Å; L27-P155 HydrophobicContact CD2-CG 4.26Å; K153-P155 WeakPolarHBondContact O-CD 3.49Å
156	G	34.5	Very low	37.6	Very low	74 Å²	74	96.6 Å²	96.6	76%	0.763	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	162.2	-17.6	170.6	0	0	0	0	0	117.3	E154	E154-G156 PolarHBondContact O-N 2.97Å; E154-G156 VanDerWaalsContact O-N 3.1Å
157	R	33.4	Very low	36.3	Very low	196 Å²	196	100.1 Å²	100.1	74%	0.74	50%	0.5	S	S	*	.			trans	-124.8	122.1	176.4	-74.8	-172	173.3	-159.6	-0.7	112.1	R159	R157-R159 HydrophobicContact CB-CG 4.4Å; R157-R159 PolarHBondContact O-N 3.43Å
158	P	31.9	Very low	35.2	Very low	103 Å²	103	108.6 Å²	108.6	67%	0.669	53%	0.529	S	S	*	.			trans	-74.4	91	170.1	30.9	-32.7	0	0	0	109.7
159	R	26.8	Very low	34	Very low	82 Å²	82	112.7 Å²	112.7	31%	0.309	56%	0.556	S	S	.	*			trans	-86.1	137.3	171.2	-55.8	-157.5	-159.1	-148	15.5	110.6	E154 R157 Y161 D334	E154-R159 IonicContact OE2-NH2 3.61Å; E154-R159 PolarHBondContact OE2-NH2 3.42Å; R157-R159 HydrophobicContact CB-CG 4.4Å; R157-R159 PolarHBondContact O-N 3.43Å; R159-Y161 HydrophobicContact CB-CE1 4.02Å; R159-Y161 HydrophobicContact CB-CE2 3.97Å; R159-Y161 WeakPolarHBondContact CD-OH 3.29Å; R159-D334 WeakPolarHBondContact CD-OD2 3.31Å; R159-D334 IonicContact CZ-OD2 3.35Å; R159-D334 IonicContact NH1-OD2 3.44Å; R159-D334 PolarHBondContact NH1-OD2 3.08Å
160	R	28.6	Very low	32.7	Very low	212 Å²	212	117.9 Å²	117.9	80%	0.8	59%	0.592	S	S	*	*			trans	-94.3	90	173	-75.6	-178.8	169.5	-176.1	-5.3	109.6	K162 T335	R160-K162 PolarHBondContact O-N 3.4Å; R160-T335 WeakPolarHBondContact O-CG2 3.27Å
161	Y	26.3	Very low	31.5	Very low	87 Å²	87	120.4 Å²	120.4	34%	0.341	60%	0.603	S	S	.	*			trans	-73	126.1	174.1	-56.8	-68.3	0	0	0	110.4	A151 R159 M332	A151-Y161 HydrophobicContact CB-CE2 4.34Å; R159-Y161 HydrophobicContact CB-CE1 4.02Å; R159-Y161 HydrophobicContact CB-CE2 3.97Å; R159-Y161 WeakPolarHBondContact CD-OH 3.29Å; Y161-M332 HydrophobicContact CD1-CB 4.48Å; Y161-M332 HydrophobicContact CD1-CE 4.17Å; Y161-M332 HydrophobicContact CD1-SD 3.99Å; Y161-M332 HydrophobicContact CE1-CE 3.61Å; Y161-M332 HydrophobicContact CE1-SD 4.06Å; Y161-M332 HydrophobicContact CG-SD 4.39Å
162	K	26.5	Very low	30.7	Very low	159 Å²	159	129 Å²	129	69%	0.691	63%	0.627	S	S	*	*			trans	-112.3	113.6	172.2	-174.1	175.5	-176.6	176.3	0	109.3	R160 T164	R160-K162 PolarHBondContact O-N 3.4Å; K162-T164 HydrophobicContact CG-CG2 4.43Å; K162-T164 PolarHBondContact O-N 3.48Å
163	L	25	Very low	30.3	Very low	102 Å²	102	133.2 Å²	133.2	53%	0.534	65%	0.649	S	S	.	*			trans	-68.7	102.3	172.4	-79.2	161.1	0	0	0	109.4	H165 V176	L163-H165 PolarHBondContact O-N 3.18Å; L163-V176 HydrophobicContact CD2-CG1 4.48Å
164	T	26.3	Very low	30.1	Very low	108 Å²	108	130 Å²	130	66%	0.663	64%	0.641	S	S	*	*			trans	-90	103	177.7	52	0	0	0	0	110.6	K162	K162-T164 HydrophobicContact CG-CG2 4.43Å; K162-T164 PolarHBondContact O-N 3.48Å
165	H	25.6	Very low	30.1	Very low	126 Å²	126	128.8 Å²	128.8	58%	0.583	64%	0.635	S	S	*	*			trans	-63.4	136.2	-174.7	-155.8	-118.7	0	0	0	112.9	L163 H175	L163-H165 PolarHBondContact O-N 3.18Å; H165-H175 AromaticContact NE2-CD2 3.98Å; H165-H175 AromaticContact NE2-CG 4Å
166	R	22.8	Very low	30.3	Very low	236 Å²	236	126.6 Å²	126.6	89%	0.891	62%	0.62	S	S	*	*			trans	-130.1	76.1	178.1	-129.4	-176.6	-168	-167.1	4.6	114.4
167	S	22.8	Very low	30.9	Very low	79 Å²	79	124.6 Å²	124.6	55%	0.552	60%	0.6	S	S	*	*			trans	87.7	144.5	133	78.7	0	0	0	0	121.8
168	Y	22.8	Very low	31.7	Very low	213 Å²	213	118.1 Å²	118.1	84%	0.835	58%	0.58	S	S	*	*			trans	74.4	158	162.8	-66.8	-68.4	0	0	0	119.9
169	V	22.6	Very low	32.3	Very low	136 Å²	136	116.3 Å²	116.3	82%	0.824	57%	0.57	S	S	*	*			trans	-128.9	123	-151.6	172.5	0	0	0	0	110.2
170	C	25	Very low	33.5	Very low	114 Å²	114	115.2 Å²	115.2	77%	0.77	57%	0.567	S	S	*	*				-162.9	133.3	123	-134.9	0	0	0	0	112.4
171	D	27	Very low	34.4	Very low	116 Å²	116	107.8 Å²	107.8	62%	0.62	54%	0.543	S	S	*	.	S	Bend	trans	35.2	93.5	167	-74.7	-69.9	0	0	0	121.7
172	R	30.3	Very low	35.4	Very low	219 Å²	219	103.8 Å²	103.8	83%	0.826	53%	0.528	S	S	*	.			trans	69.2	60.6	132.8	-51.5	178	-161.9	-137.2	0.7	118.7
173	I	37.9	Very low	36.4	Very low	118 Å²	118	98.4 Å²	98.4	61%	0.605	51%	0.507	S	S	*	.			trans	-130.3	141.7	148.8	-52.6	179.3	0	0	0	106.6
174	S	46.1	Very low	37.3	Very low	52 Å²	52	95.2 Å²	95.2	36%	0.364	50%	0.495	S	S	.	.			trans	-60.3	145.6	174	-50.4	0	0	0	0	110.6	Q115	Q115-S174 PolarHBondContact NE2-O 3.21Å; Q115-S174 PolarHBondContact OE1-O 3.28Å
175	H	50.4	Low	38.1	Very low	85 Å²	85	93.1 Å²	93.1	39%	0.394	49%	0.485	S	S	.	.			trans	-106.6	159.3	179.3	-62.8	-50.7	0	0	0	112.4	V112 H165 G177 D178	V112-H175 WeakPolarHBondContact CB-O 3.23Å; H165-H175 AromaticContact NE2-CD2 3.98Å; H165-H175 AromaticContact NE2-CG 4Å; H175-G177 PolarHBondContact O-N 2.96Å; H175-D178 PolarHBondContact N-OD2 3.13Å; H175-D178 WeakPolarHBondContact O-CB 3.29Å; H175-D178 PolarHBondContact O-N 3.49Å
176	V	44.8	Very low	39	Very low	41 Å²	41	89 Å²	89	25%	0.248	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	123.1	173.1	179.4	0	0	0	0	109.8	M113 Q115 L163	M113-V176 WeakPolarHBondContact O-CG1 3.44Å; Q115-V176 HydrophobicContact CB-CG2 3.61Å; L163-V176 HydrophobicContact CD2-CG1 4.48Å
177	G	46.1	Very low	39.7	Very low	33 Å²	33	80.2 Å²	80.2	34%	0.34	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	-5.8	-172.6	0	0	0	0	0	115.1	V112 H175	V112-G177 PolarHBondContact O-N 3.36Å; H175-G177 PolarHBondContact O-N 2.96Å
178	D	49.2	Very low	40.2	Very low	59 Å²	59	81.8 Å²	81.8	32%	0.316	44%	0.439	S	S	.	.			trans	-64.7	137.4	171.1	-80.4	-19.1	0	0	0	110.9	V112 H175	V112-D178 HydrophobicContact CG2-CB 4.42Å; V112-D178 PolarHBondContact N-O 3.24Å; H175-D178 PolarHBondContact N-OD2 3.13Å; H175-D178 WeakPolarHBondContact O-CB 3.29Å; H175-D178 PolarHBondContact O-N 3.49Å
179	S	45.3	Very low	40.8	Very low	65 Å²	65	74.3 Å²	74.3	46%	0.455	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.7	173.3	67.4	0	0	0	0	110.9	V110	V110-S179 CarbonylContact O-C 3.59Å; V110-S179 VanDerWaalsContact O-CA 3.29Å; V110-S179 WeakPolarHBondContact O-CA 3.26Å
180	F	52.8	Low	41.4	Very low	60 Å²	60	72.6 Å²	72.6	26%	0.263	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	157.4	177.3	58	-83.9	0	0	0	111.5	L93 V110 V112 M182	L93-F180 HydrophobicContact CD2-CE1 4.44Å; L93-F180 HydrophobicContact CD2-CZ 4.43Å; V110-F180 HydrophobicContact CB-CD2 4.18Å; V110-F180 HydrophobicContact CB-CE1 4.16Å; V110-F180 HydrophobicContact CB-CE2 3.82Å; V110-F180 HydrophobicContact CB-CZ 3.81Å; V110-F180 HydrophobicContact CG1-CE1 3.93Å; V110-F180 HydrophobicContact CG1-CE2 4Å; V110-F180 HydrophobicContact CG1-CZ 3.52Å; V110-F180 HydrophobicContact CG2-CE2 4.31Å; V110-F180 PolarHBondContact N-O 2.93Å; V110-F180 PolarHBondContact O-N 3.3Å; V112-F180 HydrophobicContact CG2-CE1 4.12Å; F180-M182 HydrophobicContact CD2-CB 4.27Å; F180-M182 HydrophobicContact CE2-CB 4.13Å; F180-M182 HydrophobicContact CE2-CG 4.36Å; F180-M182 HydrophobicContact CE2-SD 3.77Å
181	L	47.3	Very low	41.6	Very low	55 Å²	55	73.8 Å²	73.8	29%	0.288	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.9	168.9	-64	175.5	0	0	0	107.7	P109	P109-L181 HydrophobicContact CB-CD2 4.32Å
182	M	47.7	Very low	41.6	Very low	4 Å²	4	72 Å²	72	2%	0.02	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131	176.4	-163.1	154.2	84.7	0	0	108.4	L108 V110 F180 D186 I187	L108-M182 PolarHBondContact N-O 3.49Å; L108-M182 PolarHBondContact O-N 3.35Å; V110-M182 HydrophobicContact CG2-CB 3.64Å; V110-M182 HydrophobicContact CG2-CE 4.07Å; V110-M182 HydrophobicContact CG2-SD 4.31Å; F180-M182 HydrophobicContact CD2-CB 4.27Å; F180-M182 HydrophobicContact CE2-CB 4.13Å; F180-M182 HydrophobicContact CE2-CG 4.36Å; F180-M182 HydrophobicContact CE2-SD 3.77Å; M182-D186 HydrophobicContact CG-CB 3.45Å; M182-D186 VanDerWaalsContact CG-CB 3.45Å; M182-D186 HydrophobicContact SD-CB 4.43Å; M182-I187 HydrophobicContact CE-CD1 4.43Å; M182-I187 HydrophobicContact CE-CG1 3.46Å; M182-I187 VanDerWaalsContact CE-CG1 3.46Å; M182-I187 HydrophobicContact CG-CG1 4.38Å
183	D	47	Very low	41.4	Very low	46 Å²	46	68.3 Å²	68.3	25%	0.246	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	151.8	177.3	-163.7	-77.4	0	0	0	110.1	N106 S185 D186 I187	N106-D183 CarbonylContact O-C 3.5Å; N106-D183 WeakPolarHBondContact O-CA 3.29Å; D183-S185 VanDerWaalsContact CG-OG 3.29Å; D183-S185 PolarHBondContact O-N 2.87Å; D183-S185 WeakPolarHBondContact OD1-CB 3.39Å; D183-S185 PolarHBondContact OD1-N 2.94Å; D183-S185 PolarHBondContact OD1-OG 2.93Å; D183-D186 HydrophobicContact CB-CB 4.32Å; D183-D186 VanDerWaalsContact CB-OD2 3.31Å; D183-D186 WeakPolarHBondContact CB-OD2 3.5Å; D183-D186 PolarHBondContact N-OD2 3.14Å; D183-D186 WeakPolarHBondContact O-CA 3.47Å; D183-D186 WeakPolarHBondContact O-CB 3.05Å; D183-D186 PolarHBondContact O-N 3.33Å; D183-I187 PolarHBondContact O-N 3.38Å
184	A	43.4	Very low	41	Very low	35 Å²	35	67.2 Å²	67.2	29%	0.289	40%	0.395	S	S	.	.	H	α-helix	trans	-58.3	-29.1	171.6	0	0	0	0	0	111.4	N106 L188	N106-A184 HydrophobicContact CB-CB 4.3Å; N106-A184 PolarHBondContact O-N 3.23Å; A184-L188 WeakPolarHBondContact O-CG 3.42Å; A184-L188 PolarHBondContact O-N 3.09Å
185	S	43.3	Very low	40.2	Very low	64 Å²	64	70 Å²	70	45%	0.448	41%	0.406	S	S	.	.	H	α-helix	trans	-75.7	-24.6	170.5	63	0	0	0	0	114.2	D183 S189	D183-S185 VanDerWaalsContact CG-OG 3.29Å; D183-S185 PolarHBondContact O-N 2.87Å; D183-S185 WeakPolarHBondContact OD1-CB 3.39Å; D183-S185 PolarHBondContact OD1-N 2.94Å; D183-S185 PolarHBondContact OD1-OG 2.93Å; S185-S189 WeakPolarHBondContact O-CB 3.49Å; S185-S189 PolarHBondContact O-N 2.94Å; S185-S189 PolarHBondContact O-OG 2.99Å
186	D	43.8	Very low	39.3	Very low	38 Å²	38	78 Å²	78	20%	0.203	43%	0.432	C	S	.	.	H	α-helix	trans	-72.1	-39.5	169.9	-65.3	-40	0	0	0	110.8	M182 D183 L188 S189 M190 F228	M182-D186 HydrophobicContact CG-CB 3.45Å; M182-D186 VanDerWaalsContact CG-CB 3.45Å; M182-D186 HydrophobicContact SD-CB 4.43Å; D183-D186 HydrophobicContact CB-CB 4.32Å; D183-D186 VanDerWaalsContact CB-OD2 3.31Å; D183-D186 WeakPolarHBondContact CB-OD2 3.5Å; D183-D186 PolarHBondContact N-OD2 3.14Å; D183-D186 WeakPolarHBondContact O-CA 3.47Å; D183-D186 WeakPolarHBondContact O-CB 3.05Å; D183-D186 PolarHBondContact O-N 3.33Å; D186-L188 VanDerWaalsContact C-N 3.33Å; D186-L188 PolarHBondContact O-N 2.99Å; D186-S189 CarbonylContact O-C 3.52Å; D186-S189 WeakPolarHBondContact O-CA 3.32Å; D186-S189 WeakPolarHBondContact O-CB 3.19Å; D186-S189 PolarHBondContact O-N 2.98Å; D186-M190 WeakPolarHBondContact O-CG 3.27Å; D186-M190 PolarHBondContact O-N 3.04Å; D186-F228 WeakPolarHBondContact OD2-CE2 3.47Å
187	I	37.3	Very low	38.7	Very low	53 Å²	53	80.1 Å²	80.1	27%	0.272	44%	0.442	S	S	.	.	H	α-helix	trans	-57.6	-47.5	171.5	-67.3	166.8	0	0	0	110.3	L108 M182 D183 S189 M190	L108-I187 HydrophobicContact CB-CD1 4.37Å; L108-I187 HydrophobicContact CD1-CD1 3.35Å; L108-I187 HydrophobicContact CG-CD1 4.47Å; M182-I187 HydrophobicContact CE-CD1 4.43Å; M182-I187 HydrophobicContact CE-CG1 3.46Å; M182-I187 VanDerWaalsContact CE-CG1 3.46Å; M182-I187 HydrophobicContact CG-CG1 4.38Å; D183-I187 PolarHBondContact O-N 3.38Å; I187-S189 PolarHBondContact O-N 2.96Å; I187-M190 PolarHBondContact O-N 2.93Å
188	L	33.2	Very low	38	Very low	112 Å²	112	86.6 Å²	86.6	59%	0.586	46%	0.461	S	S	*	.	H	α-helix	trans	-67.2	-18	175.4	-67.3	169.2	0	0	0	113.5	A184 D186	A184-L188 WeakPolarHBondContact O-CG 3.42Å; A184-L188 PolarHBondContact O-N 3.09Å; D186-L188 VanDerWaalsContact C-N 3.33Å; D186-L188 PolarHBondContact O-N 2.99Å
189	S	36.1	Very low	37.3	Very low	56 Å²	56	92.1 Å²	92.1	39%	0.392	49%	0.491	S	S	.	.	H	α-helix	trans	-88.4	-30.9	175.5	-60.8	0	0	0	0	112.7	S185 D186 I187 D191 C192	S185-S189 WeakPolarHBondContact O-CB 3.49Å; S185-S189 PolarHBondContact O-N 2.94Å; S185-S189 PolarHBondContact O-OG 2.99Å; D186-S189 CarbonylContact O-C 3.52Å; D186-S189 WeakPolarHBondContact O-CA 3.32Å; D186-S189 WeakPolarHBondContact O-CB 3.19Å; D186-S189 PolarHBondContact O-N 2.98Å; I187-S189 PolarHBondContact O-N 2.96Å; S189-D191 VanDerWaalsContact C-N 3.28Å; S189-D191 PolarHBondContact O-N 2.84Å; S189-C192 CarbonylContact O-C 3.59Å; S189-C192 PolarHBondContact O-N 3.41Å
190	M	34.3	Very low	36.7	Very low	99 Å²	99	93.2 Å²	93.2	49%	0.488	50%	0.498	S	S	.	.	H	α-helix	trans	-61.7	-35.8	173.7	-70.1	-94.9	70.6	0	0	112	D186 I187 C192 I241	D186-M190 WeakPolarHBondContact O-CG 3.27Å; D186-M190 PolarHBondContact O-N 3.04Å; I187-M190 PolarHBondContact O-N 2.93Å; M190-C192 VanDerWaalsContact C-N 3.3Å; M190-C192 PolarHBondContact O-N 2.91Å; M190-I241 HydrophobicContact CE-CD1 4.44Å
191	D	30.9	Very low	35.9	Very low	140 Å²	140	98.7 Å²	98.7	75%	0.749	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.7	173.8	-83.7	-21.7	0	0	0	114	S189	S189-D191 VanDerWaalsContact C-N 3.28Å; S189-D191 PolarHBondContact O-N 2.84Å
192	C	27.1	Very low	35.2	Very low	77 Å²	77	101.7 Å²	101.7	52%	0.52	54%	0.541	S	S	.	.			trans	-153.7	70.9	-165.9	-91.3	0	0	0	0	115.8	S189 M190	S189-C192 CarbonylContact O-C 3.59Å; S189-C192 PolarHBondContact O-N 3.41Å; M190-C192 VanDerWaalsContact C-N 3.3Å; M190-C192 PolarHBondContact O-N 2.91Å
193	L	26.4	Very low	34.7	Very low	142 Å²	142	108.6 Å²	108.6	74%	0.743	58%	0.578	S	S	*	*			trans	-138.2	109.2	159.1	-80.4	-178.1	0	0	0	114.4
194	S	28.3	Very low	34.1	Very low	96 Å²	96	113.3 Å²	113.3	67%	0.671	60%	0.603	S	S	*	*	S	Bend	trans	-140.1	131.1	144.9	62.1	0	0	0	0	110.4
195	D	29.8	Very low	33.7	Very low	110 Å²	110	119.8 Å²	119.8	59%	0.588	63%	0.627	S	S	*	*			trans	53.9	85.7	169.3	-141.8	40.7	0	0	0	119.1	N197	D195-N197 PolarHBondContact OD1-ND2 2.99Å; D195-N197 PolarHBondContact OD2-ND2 2.83Å
196	R	32.1	Very low	33.1	Very low	253 Å²	253	123.9 Å²	123.9	96%	0.955	64%	0.644	S	S	*	*			trans	-99.9	78.5	146.9	-110	-169	178.4	-161.2	-0.1	111.4
197	N	30.7	Very low	32.5	Very low	86 Å²	86	125.9 Å²	125.9	46%	0.46	67%	0.674	S	S	.	*			trans	-54.3	132.7	168.2	-125.6	-90.5	0	0	0	111.7	D195	D195-N197 PolarHBondContact OD1-ND2 2.99Å; D195-N197 PolarHBondContact OD2-ND2 2.83Å
198	K	32.9	Very low	32.1	Very low	168 Å²	168	128.9 Å²	128.9	73%	0.73	70%	0.699	S	S	*	*			trans	66	136.2	157.7	-61.3	158.9	177.9	115.6	0	119.2
199	N	33.4	Very low	31.9	Very low	175 Å²	175	127.9 Å²	127.9	94%	0.936	70%	0.702	S	S	*	*				-120.3	137.1	123.4	-95.9	-18.4	0	0	0	108.2
200	S	32.2	Very low	31.4	Very low	88 Å²	88	132.6 Å²	132.6	62%	0.615	72%	0.721	S	S	*	*			trans	-111	136.8	170.2	50.8	0	0	0	0	109.1
201	Q	36	Very low	31	Very low	175 Å²	175	132.2 Å²	132.2	82%	0.818	73%	0.728	S	S	*	*			trans	-154.2	112.1	153.4	-137.6	169.1	-40	0	0	103.9
202	D	33.9	Very low	30.8	Very low	118 Å²	118	134.5 Å²	134.5	63%	0.631	73%	0.732	S	S	*	*				61	95.4	64.4	-51.7	-37.4	0	0	0	110.3
203	D	36.6	Very low	30.8	Very low	150 Å²	150	137.7 Å²	137.7	80%	0.802	74%	0.742	S	S	*	*				175.2	159.1	111.7	-82.6	-28.7	0	0	0	111.3
204	D	33.4	Very low	30.8	Very low	144 Å²	144	136.9 Å²	136.9	77%	0.77	74%	0.743	S	S	*	*			trans	-79	138.7	-173	-58.5	-75.8	0	0	0	114
205	H	36.4	Very low	30.8	Very low	172 Å²	172	143 Å²	143	80%	0.796	75%	0.751	S	S	*	*				177	168.8	109.5	-104.1	-67	0	0	0	115.2
206	D	31.1	Very low	30.8	Very low	150 Å²	150	144.1 Å²	144.1	80%	0.802	75%	0.752	S	S	*	*			trans	-60.3	143.6	177.2	-45.1	-101.7	0	0	0	113.8
207	G	30.5	Very low	30.7	Very low	80 Å²	80	136.8 Å²	136.8	83%	0.825	73%	0.73	S	S	*	*			trans	178.3	78.1	178.4	0	0	0	0	0	116
208	S	28.2	Very low	30.6	Very low	115 Å²	115	138.6 Å²	138.6	80%	0.804	74%	0.74	S	S	*	*			trans	-52.7	157.4	174.3	-168.4	0	0	0	0	115.6
209	S	30	Very low	30.3	Very low	92 Å²	92	134.2 Å²	134.2	64%	0.643	74%	0.743	S	S	*	*			trans	80.8	101.2	154.8	-66.5	0	0	0	0	121.8
210	I	24.7	Very low	29.9	Very low	154 Å²	154	132.2 Å²	132.2	79%	0.79	74%	0.741	S	S	*	*				57.9	112.2	108	-62.2	162.8	0	0	0	119
211	S	26	Very low	29.5	Very low	92 Å²	92	136.7 Å²	136.7	64%	0.643	75%	0.752	S	S	*	*			trans	94.6	123.4	137.9	78.2	0	0	0	0	123.6
212	K	26.7	Very low	28.9	Very low	188 Å²	188	132.9 Å²	132.9	82%	0.817	75%	0.745	S	S	*	*				68.4	151.2	125.8	-70.3	177.2	179.1	178.5	0	122.1
213	I	27.2	Very low	28.5	Very low	144 Å²	144	133.3 Å²	133.3	74%	0.738	75%	0.754	S	S	*	*			trans	76.9	119.2	163.7	-61.4	138	0	0	0	114.3
214	V	26.4	Very low	27.8	Very low	125 Å²	125	133 Å²	133	76%	0.758	75%	0.751	S	S	*	*			cis	101.5	144.6	25.7	176.2	0	0	0	0	113.6
215	R	29.5	Very low	27.4	Very low	224 Å²	224	134.7 Å²	134.7	85%	0.845	75%	0.751	S	S	*	*			trans	99.9	113.8	-177.2	-59.1	169.3	-169.9	-173.9	2.9	112.2
216	Q	29	Very low	26.8	Very low	133 Å²	133	137 Å²	137	62%	0.621	75%	0.753	S	S	*	*			cis	94.8	124.1	29.5	-168.2	-178.6	-0.6	0	0	114.3	Y303	Q216-Y303 VanDerWaalsContact C-OH 3.31Å; Q216-Y303 PolarHBondContact O-OH 2.85Å
217	M	30.1	Very low	26.4	Very low	100 Å²	100	134.6 Å²	134.6	49%	0.493	74%	0.744	S	S	.	*			trans	-162.8	158	153.5	-123.4	-53.4	-155.8	0	0	108.8	T302 Y303	M217-T302 HydrophobicContact CE-CG2 3.82Å; M217-T302 WeakPolarHBondContact CE-OG1 3.42Å; M217-Y303 HydrophobicContact CE-CD2 3.47Å; M217-Y303 VanDerWaalsContact CE-CD2 3.47Å; M217-Y303 HydrophobicContact CE-CE2 3.67Å; M217-Y303 HydrophobicContact CE-CG 3.97Å; M217-Y303 HydrophobicContact CG-CD2 4.47Å; M217-Y303 HydrophobicContact CG-CE2 3.69Å; M217-Y303 HydrophobicContact SD-CD1 4.39Å; M217-Y303 HydrophobicContact SD-CD2 3.94Å; M217-Y303 HydrophobicContact SD-CE1 4.11Å; M217-Y303 HydrophobicContact SD-CE2 3.61Å; M217-Y303 HydrophobicContact SD-CG 4.3Å
218	D	27.5	Very low	26.1	Very low	123 Å²	123	136.7 Å²	136.7	66%	0.658	73%	0.73	S	S	*	*			trans	-101.8	155.9	-164.3	-54.9	-65.4	0	0	0	114.8
219	G	27.9	Very low	25.9	Very low	77 Å²	77	136.1 Å²	136.1	79%	0.794	72%	0.722	S	S	*	*			trans	-175.2	147	175.2	0	0	0	0	0	111.1
220	C	24.1	Very low	25.6	Very low	132 Å²	132	135.9 Å²	135.9	89%	0.892	72%	0.718	S	S	*	*			trans	-87.5	170.7	-169.9	-75.8	0	0	0	0	115.3
221	E	24.2	Very low	25.6	Very low	183 Å²	183	134.4 Å²	134.4	86%	0.855	72%	0.716	S	S	*	*	S	Bend	trans	88.2	104	165.8	-51.9	-158.3	133	0	0	119.4
222	S	23.7	Very low	25.4	Very low	94 Å²	94	136.2 Å²	136.2	66%	0.657	73%	0.728	S	S	*	*			trans	40.9	91.8	148.3	59.8	0	0	0	0	120.7	I224	S222-I224 VanDerWaalsContact C-N 3.28Å; S222-I224 PolarHBondContact O-N 2.9Å; S222-I224 VanDerWaalsContact O-N 3.17Å
223	P	24.9	Very low	25.4	Very low	128 Å²	128	132.4 Å²	132.4	83%	0.831	72%	0.715	S	S	*	*			trans	-85.3	57.9	160.6	37	-35.1	0	0	0	111.7	K225	P223-K225 PolarHBondContact O-N 3.48Å
224	I	22.8	Very low	25.3	Very low	142 Å²	142	129.2 Å²	129.2	73%	0.728	71%	0.706	S	S	*	*			trans	-76.1	70.6	170.7	-52.9	-177.4	0	0	0	109.4	S222	S222-I224 VanDerWaalsContact C-N 3.28Å; S222-I224 PolarHBondContact O-N 2.9Å; S222-I224 VanDerWaalsContact O-N 3.17Å
225	K	23.6	Very low	25.3	Very low	181 Å²	181	132.6 Å²	132.6	79%	0.787	71%	0.713	S	S	*	*			trans	-102.3	81.6	158.7	-75.7	-172.5	174.3	-179.2	0	107.7	P223 V227	P223-K225 PolarHBondContact O-N 3.48Å; K225-V227 HydrophobicContact CB-CG2 4.16Å; K225-V227 PolarHBondContact O-N 3.1Å
226	R	23.8	Very low	25.4	Very low	220 Å²	220	129.8 Å²	129.8	83%	0.83	71%	0.707	S	S	*	*			trans	-68.5	76.5	159.5	-77.6	-172.2	177.5	135.4	-2.4	107.9	F228	R226-F228 PolarHBondContact O-N 3.19Å; R226-F228 VanDerWaalsContact O-N 3.13Å
227	V	23.2	Very low	25.4	Very low	100 Å²	100	127.4 Å²	127.4	61%	0.606	70%	0.696	S	S	*	*			trans	-66.8	109.4	168.2	179.3	0	0	0	0	106	K225 T229	K225-V227 HydrophobicContact CB-CG2 4.16Å; K225-V227 PolarHBondContact O-N 3.1Å; V227-T229 VanDerWaalsContact C-N 3.32Å; V227-T229 PolarHBondContact O-N 3.44Å
228	F	25.6	Very low	25.3	Very low	123 Å²	123	125.9 Å²	125.9	54%	0.539	69%	0.689	S	S	.	*			trans	-53.8	105.6	156.7	-103	-78.5	0	0	0	106.8	D186 R226 P230	D186-F228 WeakPolarHBondContact OD2-CE2 3.47Å; R226-F228 PolarHBondContact O-N 3.19Å; R226-F228 VanDerWaalsContact O-N 3.13Å; F228-P230 WeakPolarHBondContact O-CD 3.35Å
229	T	22.8	Very low	25.4	Very low	103 Å²	103	122.8 Å²	122.8	63%	0.632	67%	0.673	S	S	*	*			trans	-83.4	97.8	162.8	25.9	0	0	0	0	106.2	V227 V231	V227-T229 VanDerWaalsContact C-N 3.32Å; V227-T229 PolarHBondContact O-N 3.44Å; T229-V231 PolarHBondContact O-N 3.01Å
230	P	24.1	Very low	25.4	Very low	88 Å²	88	127.4 Å²	127.4	57%	0.571	67%	0.673	S	S	*	*			trans	-58.6	124.7	172.7	26.3	-34.6	0	0	0	107.6	F228 C232	F228-P230 WeakPolarHBondContact O-CD 3.35Å; P230-C232 PolarHBondContact O-N 3.33Å; P230-C232 VanDerWaalsContact O-N 3.14Å
231	V	24.3	Very low	25.7	Very low	122 Å²	122	125 Å²	125	74%	0.739	65%	0.65	S	S	*	*			trans	-64.3	118.4	175.7	-176.3	0	0	0	0	106.7	T229 I233	T229-V231 PolarHBondContact O-N 3.01Å; V231-I233 HydrophobicContact CB-CG1 4.26Å; V231-I233 HydrophobicContact CG1-CD1 4.4Å; V231-I233 HydrophobicContact CG1-CG1 3.83Å; V231-I233 PolarHBondContact O-N 2.9Å
232	C	22.3	Very low	25.9	Very low	131 Å²	131	120.6 Å²	120.6	89%	0.885	63%	0.633	S	S	*	*			trans	-73.4	69.1	-178.1	-63.6	0	0	0	0	111.2	P230	P230-C232 PolarHBondContact O-N 3.33Å; P230-C232 VanDerWaalsContact O-N 3.14Å
233	I	27.4	Very low	26.3	Very low	107 Å²	107	118.5 Å²	118.5	55%	0.549	62%	0.616	S	S	.	*			trans	-73.9	125.1	172.4	-55.3	179.3	0	0	0	107.6	V231	V231-I233 HydrophobicContact CB-CG1 4.26Å; V231-I233 HydrophobicContact CG1-CD1 4.4Å; V231-I233 HydrophobicContact CG1-CG1 3.83Å; V231-I233 PolarHBondContact O-N 2.9Å
234	S	24.6	Very low	26.7	Very low	78 Å²	78	115 Å²	115	55%	0.545	59%	0.592	S	S	.	*			trans	-73.3	157.7	-178.1	65.9	0	0	0	0	112.5	K236	S234-K236 PolarHBondContact O-N 3.18Å
235	E	26.8	Very low	27.3	Very low	195 Å²	195	112.9 Å²	112.9	91%	0.911	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	6.3	-172	-52.9	173.1	108	0	0	118.3
236	K	30.8	Very low	27.9	Very low	166 Å²	166	106 Å²	106	72%	0.722	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	-15.2	-170.5	-68.8	-176.3	176.9	-180	0	115.3	S234	S234-K236 PolarHBondContact O-N 3.18Å
237	E	28.4	Very low	28.6	Very low	83 Å²	83	104.5 Å²	104.5	39%	0.388	56%	0.557	S	S	.	*	S	Bend	trans	-132.4	140	-167.6	-60.1	-170.5	131.3	0	0	112.8	L86	L86-E237 HydrophobicContact CD2-CG 4.04Å
238	L	29.3	Very low	29.5	Very low	67 Å²	67	105.6 Å²	105.6	35%	0.351	56%	0.555	S	S	.	*			trans	74.3	157.7	172.8	-92.2	160.4	0	0	0	119.5	L88 T89	L88-L238 HydrophobicContact CD1-CD2 3.61Å; L88-L238 HydrophobicContact CD1-CG 4.5Å; L88-L238 HydrophobicContact CG-CD2 4.14Å; T89-L238 VanDerWaalsContact O-CD2 3.26Å; T89-L238 WeakPolarHBondContact O-CD2 3.31Å
239	L	27.9	Very low	30.2	Very low	59 Å²	59	102.2 Å²	102.2	31%	0.309	54%	0.542	S	S	.	.			trans	-122.9	167.1	-167.1	-73.1	87.2	0	0	0	111.8	L45 Y48 L88	L45-L239 HydrophobicContact CD2-CB 4.47Å; L45-L239 HydrophobicContact CD2-CD1 3.84Å; L45-L239 HydrophobicContact CD2-CD2 3.76Å; L45-L239 HydrophobicContact CD2-CG 4.24Å; L45-L239 HydrophobicContact CG-CD2 4.25Å; Y48-L239 HydrophobicContact CD1-CD1 4Å; Y48-L239 HydrophobicContact CD2-CD2 4.4Å; Y48-L239 HydrophobicContact CE1-CD1 3.95Å; Y48-L239 HydrophobicContact CG-CD1 4.36Å; Y48-L239 HydrophobicContact CG-CD2 4.22Å; L88-L239 HydrophobicContact CD1-CD1 4.31Å
240	H	29.6	Very low	30.9	Very low	173 Å²	173	100.7 Å²	100.7	80%	0.801	53%	0.534	S	S	*	.			trans	-42.1	130.6	-176	-64.5	102.5	0	0	0	116.3
241	I	28.6	Very low	31.7	Very low	81 Å²	81	104.1 Å²	104.1	42%	0.415	54%	0.543	S	S	.	.			trans	-78.5	135.3	155.2	-59.5	170.3	0	0	0	107.6	L93 M190	L93-I241 HydrophobicContact CD1-CG2 3.96Å; M190-I241 HydrophobicContact CE-CD1 4.44Å
242	N	30	Very low	32.6	Very low	91 Å²	91	103.4 Å²	103.4	49%	0.487	53%	0.531	S	S	.	.			trans	-116.5	113.3	171.9	-88.8	-54.4	0	0	0	109.7	V244	N242-V244 PolarHBondContact O-N 3.12Å
243	V	30.6	Very low	33.5	Very low	50 Å²	50	101.1 Å²	101.1	30%	0.303	51%	0.507	S	S	.	.			trans	-80.8	110.8	176.8	-178.7	0	0	0	0	109.6	L93 V95 T245	L93-V243 HydrophobicContact CD1-CG2 4.41Å; V95-V243 HydrophobicContact CG2-CG1 3.35Å; V243-T245 HydrophobicContact CG1-CG2 4.48Å; V243-T245 PolarHBondContact O-N 2.9Å
244	V	34.2	Very low	34.4	Very low	56 Å²	56	96.6 Å²	96.6	34%	0.339	48%	0.484	S	S	.	.			trans	-94.3	92.4	-174.3	-163.2	0	0	0	0	111	N242 L246	N242-V244 PolarHBondContact O-N 3.12Å; V244-L246 VanDerWaalsContact C-N 3.33Å; V244-L246 HydrophobicContact CG1-CD1 4.49Å; V244-L246 HydrophobicContact CG1-CD2 3.77Å; V244-L246 HydrophobicContact CG1-CG 3.81Å; V244-L246 PolarHBondContact O-N 2.72Å
245	T	35	Very low	35.4	Very low	96 Å²	96	94.1 Å²	94.1	59%	0.589	47%	0.47	S	S	*	.			trans	-75.6	76.4	177.4	42.4	0	0	0	0	112.5	V95 V243 K247	V95-T245 HydrophobicContact CB-CG2 4.16Å; V95-T245 HydrophobicContact CG2-CG2 4.01Å; V243-T245 HydrophobicContact CG1-CG2 4.48Å; V243-T245 PolarHBondContact O-N 2.9Å; T245-K247 PolarHBondContact O-N 2.87Å
246	L	36.2	Very low	36.4	Very low	37 Å²	37	85 Å²	85	19%	0.194	43%	0.428	C	S	.	.			trans	-75.5	87.7	179.4	-65.3	177	0	0	0	112.4	I34 F94 V244 H248 L249	I34-L246 HydrophobicContact CD1-CD1 4.16Å; F94-L246 HydrophobicContact CE2-CB 4.13Å; F94-L246 HydrophobicContact CE2-CD1 4.41Å; V244-L246 VanDerWaalsContact C-N 3.33Å; V244-L246 HydrophobicContact CG1-CD1 4.49Å; V244-L246 HydrophobicContact CG1-CD2 3.77Å; V244-L246 HydrophobicContact CG1-CG 3.81Å; V244-L246 PolarHBondContact O-N 2.72Å; L246-H248 PolarHBondContact O-N 2.9Å; L246-L249 HydrophobicContact CB-CD1 3.53Å; L246-L249 HydrophobicContact CD1-CD1 3.63Å; L246-L249 HydrophobicContact CG-CD1 4.23Å; L246-L249 PolarHBondContact O-N 2.9Å
247	K	39.4	Very low	37.2	Very low	189 Å²	189	78.4 Å²	78.4	82%	0.822	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	16	169.7	-61.9	-168.3	174.6	-168.2	0	115.4	T245	T245-K247 PolarHBondContact O-N 2.87Å
248	H	42.5	Very low	38.3	Very low	123 Å²	123	76.5 Å²	76.5	57%	0.569	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	12.9	-169.6	-65.7	-7	0	0	0	113.3	I30 L246	I30-H248 HydrophobicContact CD1-CB 3.66Å; L246-H248 PolarHBondContact O-N 2.9Å
249	L	38.9	Very low	39.4	Very low	51 Å²	51	75.4 Å²	75.4	27%	0.267	39%	0.392	S	S	.	.	S	Bend	trans	-72.4	152.5	165.1	-93.5	74	0	0	0	110.6	F94 L246 Q251 F253 L254	F94-L249 HydrophobicContact CE1-CD2 4.33Å; F94-L249 HydrophobicContact CE2-CD1 3.64Å; F94-L249 HydrophobicContact CE2-CD2 3.69Å; F94-L249 HydrophobicContact CE2-CG 4.22Å; F94-L249 HydrophobicContact CZ-CB 4.36Å; F94-L249 HydrophobicContact CZ-CD1 3.95Å; F94-L249 HydrophobicContact CZ-CD2 3.55Å; F94-L249 HydrophobicContact CZ-CG 4.14Å; L246-L249 HydrophobicContact CB-CD1 3.53Å; L246-L249 HydrophobicContact CD1-CD1 3.63Å; L246-L249 HydrophobicContact CG-CD1 4.23Å; L246-L249 PolarHBondContact O-N 2.9Å; L249-Q251 PolarHBondContact O-N 2.81Å; L249-F253 HydrophobicContact CB-CB 4.31Å; L249-F253 HydrophobicContact CD2-CB 3.59Å; L249-F253 HydrophobicContact CD2-CD2 4.13Å; L249-F253 HydrophobicContact CD2-CG 3.98Å; L249-L254 HydrophobicContact CB-CD1 4.14Å; L249-L254 HydrophobicContact CB-CG 4.27Å; L249-L254 VanDerWaalsContact O-CD1 3.29Å; L249-L254 WeakPolarHBondContact O-CD1 3.38Å
250	P	37.6	Very low	40.6	Very low	72 Å²	72	77.8 Å²	77.8	47%	0.468	40%	0.404	S	S	.	.			trans	-56.9	135.9	164.9	-23	33.1	0	0	0	110.7	Q252 F253	P250-Q252 HydrophobicContact CB-CG 4.18Å; P250-Q252 PolarHBondContact O-N 2.86Å; P250-F253 HydrophobicContact CB-CD2 4.24Å; P250-F253 HydrophobicContact CG-CD2 4.31Å; P250-F253 HydrophobicContact CG-CE2 4.38Å; P250-F253 PolarHBondContact O-N 2.76Å
251	Q	40.6	Very low	41.4	Very low	160 Å²	160	72.4 Å²	72.4	75%	0.748	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-49.6	-28.9	-174.3	-70.4	175.2	-54.1	0	0	114.6	L249 F253 L254	L249-Q251 PolarHBondContact O-N 2.81Å; Q251-F253 PolarHBondContact O-N 2.91Å; Q251-L254 PolarHBondContact O-N 3.11Å
252	Q	43.3	Very low	42	Very low	107 Å²	107	73.2 Å²	73.2	50%	0.5	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-57.1	-17.1	174.7	76.6	-167.9	10.2	0	0	115.1	P250	P250-Q252 HydrophobicContact CB-CG 4.18Å; P250-Q252 PolarHBondContact O-N 2.86Å
253	F	41.1	Very low	42.7	Very low	83 Å²	83	73.3 Å²	73.3	36%	0.364	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-104.8	-6	176.5	-64.2	-73.1	0	0	0	113.8	L249 P250 Q251	L249-F253 HydrophobicContact CB-CB 4.31Å; L249-F253 HydrophobicContact CD2-CB 3.59Å; L249-F253 HydrophobicContact CD2-CD2 4.13Å; L249-F253 HydrophobicContact CD2-CG 3.98Å; P250-F253 HydrophobicContact CB-CD2 4.24Å; P250-F253 HydrophobicContact CG-CD2 4.31Å; P250-F253 HydrophobicContact CG-CE2 4.38Å; P250-F253 PolarHBondContact O-N 2.76Å; Q251-F253 PolarHBondContact O-N 2.91Å
254	L	47.2	Very low	43.1	Very low	12 Å²	12	78 Å²	78	6%	0.063	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-17.6	-174.1	-74.3	155.5	0	0	0	112.8	F94 E97 L249 Q251 C256	F94-L254 HydrophobicContact CE1-CD2 4.19Å; F94-L254 HydrophobicContact CZ-CD2 3.99Å; E97-L254 HydrophobicContact CB-CB 4.43Å; E97-L254 HydrophobicContact CG-CB 3.91Å; E97-L254 HydrophobicContact CG-CD2 4.22Å; E97-L254 PolarHBondContact N-O 3.35Å; L249-L254 HydrophobicContact CB-CD1 4.14Å; L249-L254 HydrophobicContact CB-CG 4.27Å; L249-L254 VanDerWaalsContact O-CD1 3.29Å; L249-L254 WeakPolarHBondContact O-CD1 3.38Å; Q251-L254 PolarHBondContact O-N 3.11Å; L254-C256 PolarHBondContact O-N 3.4Å
255	G	45.2	Very low	43.3	Very low	26 Å²	26	80.8 Å²	80.8	27%	0.268	42%	0.422	S	S	.	.	S	Bend	trans	-58.7	134.4	175.7	0	0	0	0	0	113.1	Y111 L260	Y111-G255 PolarHBondContact OH-O 2.82Å; G255-L260 VanDerWaalsContact O-CD1 3.27Å; G255-L260 WeakPolarHBondContact O-CD1 3.35Å
256	C	48.2	Very low	43.4	Very low	2 Å²	2	80.2 Å²	80.2	1%	0.014	42%	0.418	C	S	.	.			trans	-54.6	141.5	177.7	170.6	0	0	0	0	112.2	C99 L254 L258 C259 L260	C99-C256 HydrophobicContact CB-CB 3.19Å; L254-C256 PolarHBondContact O-N 3.4Å; C256-L258 VanDerWaalsContact C-N 3.33Å; C256-L258 PolarHBondContact O-N 3.12Å; C256-C259 HydrophobicContact CB-CB 4.06Å; C256-C259 CarbonylContact O-C 3.55Å; C256-C259 WeakPolarHBondContact O-CA 3.43Å; C256-C259 WeakPolarHBondContact O-CB 3.41Å; C256-C259 PolarHBondContact O-N 2.99Å; C256-L260 PolarHBondContact O-N 3.16Å
257	P	47	Very low	43.4	Very low	28 Å²	28	85.5 Å²	85.5	18%	0.182	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-66.4	-33.8	-173.4	25.5	-31.3	0	0	0	112.6	Y111 C259 L260 D261	Y111-P257 HydrophobicContact CE1-CB 3.95Å; Y111-P257 HydrophobicContact CE1-CG 4.14Å; Y111-P257 VanDerWaalsContact OH-CD 3.23Å; Y111-P257 WeakPolarHBondContact OH-CD 3.47Å; P257-C259 VanDerWaalsContact C-N 3.27Å; P257-C259 PolarHBondContact O-N 3.08Å; P257-L260 CarbonylContact O-C 3.58Å; P257-L260 PolarHBondContact O-N 3.41Å; P257-L260 VanDerWaalsContact O-N 3.1Å; P257-D261 WeakPolarHBondContact O-CB 3.36Å; P257-D261 PolarHBondContact O-N 3.09Å
258	L	51.2	Low	43.1	Very low	44 Å²	44	85.8 Å²	85.8	23%	0.23	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-67.9	-29.3	174.6	-63.3	169.3	0	0	0	112.1	H102 C256 L260 Y264	H102-L258 HydrophobicContact CB-CB 3.98Å; H102-L258 HydrophobicContact CB-CD1 4Å; C256-L258 VanDerWaalsContact C-N 3.33Å; C256-L258 PolarHBondContact O-N 3.12Å; L258-L260 VanDerWaalsContact C-N 3.25Å; L258-L260 PolarHBondContact O-N 2.88Å; L258-Y264 HydrophobicContact CD2-CD1 4.32Å; L258-Y264 HydrophobicContact CD2-CD2 3.82Å; L258-Y264 HydrophobicContact CD2-CE1 4.29Å; L258-Y264 HydrophobicContact CD2-CE2 3.78Å; L258-Y264 HydrophobicContact CD2-CG 4.09Å
259	C	53.6	Low	42.5	Very low	44 Å²	44	85.1 Å²	85.1	30%	0.297	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-82.4	-1.6	174.7	-51	0	0	0	0	112.4	C99 H102 C256 P257	C99-C259 HydrophobicContact CB-CB 4.29Å; C99-C259 WeakPolarHBondContact CB-SG 3.46Å; C99-C259 WeakPolarHBondContact SG-CB 3.27Å; C99-C259 CovalentContact SG-SG 2.06Å; C99-C259 PolarHBondContact SG-SG 2.93Å; H102-C259 PolarHBondContact ND1-SG 3.12Å; C256-C259 HydrophobicContact CB-CB 4.06Å; C256-C259 CarbonylContact O-C 3.55Å; C256-C259 WeakPolarHBondContact O-CA 3.43Å; C256-C259 WeakPolarHBondContact O-CB 3.41Å; C256-C259 PolarHBondContact O-N 2.99Å; P257-C259 VanDerWaalsContact C-N 3.27Å; P257-C259 PolarHBondContact O-N 3.08Å
260	L	52.5	Low	42	Very low	109 Å²	109	90 Å²	90	57%	0.571	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	-18.5	178	-71.4	174.3	0	0	0	114	G255 C256 P257 L258 P262	G255-L260 VanDerWaalsContact O-CD1 3.27Å; G255-L260 WeakPolarHBondContact O-CD1 3.35Å; C256-L260 PolarHBondContact O-N 3.16Å; P257-L260 CarbonylContact O-C 3.58Å; P257-L260 PolarHBondContact O-N 3.41Å; P257-L260 VanDerWaalsContact O-N 3.1Å; L258-L260 VanDerWaalsContact C-N 3.25Å; L258-L260 PolarHBondContact O-N 2.88Å; L260-P262 WeakPolarHBondContact O-CD 3.06Å
261	D	47.5	Very low	41.5	Very low	59 Å²	59	96 Å²	96	32%	0.316	49%	0.493	S	S	.	.			trans	-81.5	115.6	-176.9	-175	50.3	0	0	0	112	P257 T263 Y264	P257-D261 WeakPolarHBondContact O-CB 3.36Å; P257-D261 PolarHBondContact O-N 3.09Å; D261-T263 PolarHBondContact O-N 3.47Å; D261-T263 VanDerWaalsContact O-N 3.13Å; D261-T263 PolarHBondContact OD1-OG1 3.01Å; D261-T263 VanDerWaalsContact OD1-OG1 3.09Å; D261-T263 VanDerWaalsContact OD2-CB 3.27Å; D261-T263 WeakPolarHBondContact OD2-CB 3.2Å; D261-T263 PolarHBondContact OD2-N 2.78Å; D261-T263 PolarHBondContact OD2-OG1 3.36Å; D261-Y264 PolarHBondContact O-N 3.42Å
262	P	40.1	Very low	40.9	Very low	99 Å²	99	94.4 Å²	94.4	64%	0.643	50%	0.495	S	S	*	.	H	α-helix	trans	-60.5	-28.2	-177.1	-23.4	34.7	0	0	0	113.5	L260 Y264 L265	L260-P262 WeakPolarHBondContact O-CD 3.06Å; P262-Y264 VanDerWaalsContact C-N 3.28Å; P262-Y264 PolarHBondContact O-N 2.89Å; P262-L265 PolarHBondContact O-N 3.48Å
263	T	45.5	Very low	40	Very low	92 Å²	92	96 Å²	96	56%	0.564	50%	0.504	S	S	*	.	H	α-helix	trans	-70.6	-17.7	-177.9	3.6	0	0	0	0	114.3	D261 T266	D261-T263 PolarHBondContact O-N 3.47Å; D261-T263 VanDerWaalsContact O-N 3.13Å; D261-T263 PolarHBondContact OD1-OG1 3.01Å; D261-T263 VanDerWaalsContact OD1-OG1 3.09Å; D261-T263 VanDerWaalsContact OD2-CB 3.27Å; D261-T263 WeakPolarHBondContact OD2-CB 3.2Å; D261-T263 PolarHBondContact OD2-N 2.78Å; D261-T263 PolarHBondContact OD2-OG1 3.36Å; T263-T266 PolarHBondContact O-OG1 3.47Å
264	Y	39.1	Very low	39.4	Very low	150 Å²	150	100.1 Å²	100.1	59%	0.588	53%	0.529	S	S	*	.	H	α-helix	trans	-87	-24.5	173.8	-101.6	-89.5	0	0	0	113.7	L258 D261 P262	L258-Y264 HydrophobicContact CD2-CD1 4.32Å; L258-Y264 HydrophobicContact CD2-CD2 3.82Å; L258-Y264 HydrophobicContact CD2-CE1 4.29Å; L258-Y264 HydrophobicContact CD2-CE2 3.78Å; L258-Y264 HydrophobicContact CD2-CG 4.09Å; D261-Y264 PolarHBondContact O-N 3.42Å; P262-Y264 VanDerWaalsContact C-N 3.28Å; P262-Y264 PolarHBondContact O-N 2.89Å
265	L	38.3	Very low	38.4	Very low	114 Å²	114	103.4 Å²	103.4	60%	0.597	55%	0.553	S	S	*	*	H	α-helix	trans	-70.8	-30.6	175.4	-84.1	74.9	0	0	0	112.3	P262 N267	P262-L265 PolarHBondContact O-N 3.48Å; L265-N267 VanDerWaalsContact C-N 3.25Å; L265-N267 PolarHBondContact O-N 3.43Å; L265-N267 VanDerWaalsContact O-N 3.12Å
266	T	37.1	Very low	37.5	Very low	84 Å²	84	113 Å²	113	52%	0.515	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.9	24.7	-171.7	58.4	0	0	0	0	115.2	T263	T263-T266 PolarHBondContact O-OG1 3.47Å
267	N	36	Very low	36.4	Very low	147 Å²	147	117.4 Å²	117.4	79%	0.786	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134	16.6	173.8	-84.7	-64.5	0	0	0	113.4	L265	L265-N267 VanDerWaalsContact C-N 3.25Å; L265-N267 PolarHBondContact O-N 3.43Å; L265-N267 VanDerWaalsContact O-N 3.12Å
268	K	33.2	Very low	35.5	Very low	195 Å²	195	127.2 Å²	127.2	85%	0.848	65%	0.651	S	S	*	*			trans	-122.7	26	168.8	-99.9	-176	176.9	178	0	112.8	N270	K268-N270 PolarHBondContact O-N 3.31Å
269	D	30.4	Very low	34.2	Very low	110 Å²	110	130.1 Å²	130.1	59%	0.588	67%	0.674	S	S	*	*			trans	-70	74.2	173.4	-76.7	-55.5	0	0	0	112.1
270	N	27.8	Very low	32.9	Very low	152 Å²	152	138.9 Å²	138.9	81%	0.813	70%	0.702	S	S	*	*	S	Bend	trans	-163.5	48.6	155.3	-104.6	-30.1	0	0	0	112.5	K268	K268-N270 PolarHBondContact O-N 3.31Å
271	F	27.1	Very low	31.6	Very low	198 Å²	198	138.7 Å²	138.7	87%	0.868	71%	0.71	S	S	*	*	S	Bend	trans	-160.4	99.1	136.7	-108.3	-67.8	0	0	0	111.5
272	T	27.7	Very low	30.9	Very low	127 Å²	127	141.1 Å²	141.1	78%	0.779	73%	0.729	S	S	*	*			trans	43	89.2	157	-31.4	0	0	0	0	118.5
273	M	24.9	Very low	30.5	Very low	141 Å²	141	144.4 Å²	144.4	70%	0.695	74%	0.736	S	S	*	*			trans	-39.6	138.8	148.9	-74.3	-107.6	101.6	0	0	112.8
274	L	28.2	Very low	29.6	Very low	170 Å²	170	145.3 Å²	145.3	89%	0.89	74%	0.741	S	S	*	*				-160.5	135.1	115.6	-109	166.4	0	0	0	112.8
275	S	25.4	Very low	29	Very low	80 Å²	80	145.5 Å²	145.5	56%	0.559	75%	0.752	S	S	*	*			trans	-97.6	168.7	-175.2	59.4	0	0	0	0	112.7
276	R	27.2	Very low	28.6	Very low	228 Å²	228	145 Å²	145	86%	0.86	75%	0.753	S	S	*	*			trans	86.9	110.2	168.5	-60.5	-178.4	161.6	110.3	-5	117.9
277	A	25.5	Very low	28.1	Very low	94 Å²	94	147.4 Å²	147.4	78%	0.777	76%	0.763	S	S	*	*				27	128.9	119.4	0	0	0	0	0	120.1
278	R	27.1	Very low	27.9	Very low	234 Å²	234	148 Å²	148	88%	0.883	77%	0.766	S	S	*	*			trans	107.9	97.9	163.6	-63.8	-179.1	179.4	-179.1	0.1	116
279	C	23.5	Very low	27.6	Very low	106 Å²	106	145.7 Å²	145.7	72%	0.716	76%	0.762	S	S	*	*				64.2	141.1	125.5	-53.6	0	0	0	0	121.3
280	Y	27.7	Very low	27.5	Very low	227 Å²	227	147.1 Å²	147.1	89%	0.89	78%	0.775	S	S	*	*			trans	80.9	156.2	168.9	-58.7	-74.4	0	0	0	117.7
281	S	24.5	Very low	27.4	Very low	106 Å²	106	145.4 Å²	145.4	74%	0.741	77%	0.773	S	S	*	*			trans	-154.6	178.4	-155.6	57.2	0	0	0	0	109
282	P	33	Very low	27.7	Very low	109 Å²	109	145.6 Å²	145.6	71%	0.708	77%	0.774	S	S	*	*			cis	-121	-169.2	-40.7	33.3	-15.1	0	0	0	110.4
283	E	30.9	Very low	27.9	Very low	168 Å²	168	148.6 Å²	148.6	79%	0.785	78%	0.776	S	S	*	*				165.3	122.8	123.6	-89.6	-174.4	168	0	0	115.4
284	T	26.7	Very low	28	Very low	111 Å²	111	149.7 Å²	149.7	68%	0.681	78%	0.784	S	S	*	*			trans	61.4	135.9	138.4	60.5	0	0	0	0	125.9
285	L	26.7	Very low	28.2	Very low	154 Å²	154	147.4 Å²	147.4	81%	0.806	78%	0.783	S	S	*	*			trans	69	147	146.2	-89.8	85.5	0	0	0	120.1
286	V	29	Very low	28.3	Very low	104 Å²	104	149.5 Å²	149.5	63%	0.63	79%	0.792	S	S	*	*			cis	-167.7	151	-23.6	96.1	0	0	0	0	111.4
287	D	26.8	Very low	28.4	Very low	135 Å²	135	146.7 Å²	146.7	72%	0.722	79%	0.794	S	S	*	*			trans	53.8	166.1	160.3	-61.7	-15.8	0	0	0	120.2
288	L	31.7	Very low	28.5	Very low	160 Å²	160	148.1 Å²	148.1	84%	0.838	79%	0.793	S	S	*	*			cis	-144.5	157.7	4	-160.5	68.7	0	0	0	111.5
289	D	27	Very low	28.5	Very low	146 Å²	146	141.8 Å²	141.8	78%	0.781	78%	0.784	S	S	*	*			trans	-74.4	161.3	175.2	-121	-39.2	0	0	0	115.1
290	V	30.2	Very low	28.7	Very low	140 Å²	140	144.9 Å²	144.9	85%	0.848	79%	0.788	S	S	*	*			trans	-178.5	137.6	139.5	146	0	0	0	0	111.3
291	C	25.6	Very low	28.7	Very low	115 Å²	115	141.4 Å²	141.4	78%	0.777	78%	0.783	S	S	*	*			trans	-128.9	146.7	-178	173.9	0	0	0	0	112.9
292	K	32	Very low	28.8	Very low	202 Å²	202	140.5 Å²	140.5	88%	0.878	77%	0.773	S	S	*	*			trans	-159.9	100.9	172.6	-114.6	161.7	-171.9	171.5	0	117.6
293	K	31.7	Very low	28.5	Very low	191 Å²	191	141.4 Å²	141.4	83%	0.83	76%	0.763	S	S	*	*			trans	19.4	123.9	146.7	-67.4	178.8	176.5	178.6	0	123.2
294	N	28.5	Very low	28.5	Very low	163 Å²	163	137 Å²	137	87%	0.872	76%	0.763	S	S	*	*				32.8	133.9	125.4	-54.3	14.4	0	0	0	123.1
295	S	32.3	Very low	28.7	Very low	122 Å²	122	141.1 Å²	141.1	85%	0.853	77%	0.771	S	S	*	*				-158.9	172.1	127.6	-158.8	0	0	0	0	112.3
296	T	27.3	Very low	29	Very low	124 Å²	124	139 Å²	139	76%	0.761	77%	0.767	S	S	*	*			trans	-124.3	155.9	-168.1	52.4	0	0	0	0	114.3
297	L	29.2	Very low	28.9	Very low	170 Å²	170	141.4 Å²	141.4	89%	0.89	78%	0.776	S	S	*	*			trans	-178	178.4	140.1	-101	161.3	0	0	0	113.7
298	V	26.4	Very low	29.1	Very low	124 Å²	124	141.9 Å²	141.9	75%	0.752	78%	0.784	S	S	*	*			trans	-143.3	145.7	-155.1	174	0	0	0	0	113.2
299	S	28.7	Very low	28.9	Very low	100 Å²	100	143 Å²	143	70%	0.699	78%	0.784	S	S	*	*				160.1	128.6	129.9	52.2	0	0	0	0	119.8
300	H	26.9	Very low	29.3	Very low	172 Å²	172	140.6 Å²	140.6	80%	0.796	78%	0.777	S	S	*	*			trans	61.9	141.3	133	-76	-65.5	0	0	0	128.3
301	I	26.8	Very low	29.3	Very low	153 Å²	153	139.7 Å²	139.7	79%	0.785	77%	0.774	S	S	*	*			trans	82.3	143.8	141.6	-74.4	165.4	0	0	0	119.2
302	T	26.8	Very low	29.2	Very low	88 Å²	88	140.9 Å²	140.9	54%	0.54	77%	0.772	S	S	.	*			cis	-171.5	144.4	-17.8	-89	0	0	0	0	114.3	M217	M217-T302 HydrophobicContact CE-CG2 3.82Å; M217-T302 WeakPolarHBondContact CE-OG1 3.42Å
303	Y	26.8	Very low	28.9	Very low	128 Å²	128	141.5 Å²	141.5	50%	0.502	78%	0.776	S	S	.	*			trans	33.9	140.5	157.1	-85.4	-52.2	0	0	0	126.7	Q216 M217	Q216-Y303 VanDerWaalsContact C-OH 3.31Å; Q216-Y303 PolarHBondContact O-OH 2.85Å; M217-Y303 HydrophobicContact CE-CD2 3.47Å; M217-Y303 VanDerWaalsContact CE-CD2 3.47Å; M217-Y303 HydrophobicContact CE-CE2 3.67Å; M217-Y303 HydrophobicContact CE-CG 3.97Å; M217-Y303 HydrophobicContact CG-CD2 4.47Å; M217-Y303 HydrophobicContact CG-CE2 3.69Å; M217-Y303 HydrophobicContact SD-CD1 4.39Å; M217-Y303 HydrophobicContact SD-CD2 3.94Å; M217-Y303 HydrophobicContact SD-CE1 4.11Å; M217-Y303 HydrophobicContact SD-CE2 3.61Å; M217-Y303 HydrophobicContact SD-CG 4.3Å
304	G	30.8	Very low	28.6	Very low	76 Å²	76	139.3 Å²	139.3	78%	0.784	77%	0.772	S	S	*	*			trans	176.2	133.8	149.2	0	0	0	0	0	115.4
305	K	31.3	Very low	28.5	Very low	196 Å²	196	138.8 Å²	138.8	85%	0.852	77%	0.769	S	S	*	*			trans	-167.7	144.6	-179.3	-154	172.1	-169.8	170.8	0	114.2
306	P	32.5	Very low	28.2	Very low	111 Å²	111	139.8 Å²	139.8	72%	0.721	76%	0.764	S	S	*	*			trans	-153.6	151	137.4	36.5	-17.9	0	0	0	119.2
307	N	27.3	Very low	28.1	Very low	154 Å²	154	139.9 Å²	139.9	82%	0.824	77%	0.767	S	S	*	*			trans	49.6	134.7	140.4	-55.7	-13.5	0	0	0	125.4
308	V	31.5	Very low	27.8	Very low	145 Å²	145	140.4 Å²	140.4	88%	0.879	76%	0.762	S	S	*	*				-176.8	169.4	110.5	152.4	0	0	0	0	110.2
309	H	27.8	Very low	27.5	Very low	182 Å²	182	140.9 Å²	140.9	84%	0.843	77%	0.77	S	S	*	*			trans	-115.5	173.8	-154.1	-101.3	-92	0	0	0	117.2
310	P	36	Very low	27.2	Very low	97 Å²	97	141.4 Å²	141.4	63%	0.63	77%	0.773	S	S	*	*			trans	-111.9	-162.2	-167.6	45	-37	0	0	0	114.4
311	P	29.1	Very low	27.2	Very low	121 Å²	121	138.2 Å²	138.2	79%	0.786	77%	0.77	S	S	*	*			trans	-136.4	162.3	137.7	38.7	-26.8	0	0	0	115.9
312	N	24.7	Very low	27	Very low	139 Å²	139	138.9 Å²	138.9	74%	0.743	78%	0.775	S	S	*	*			trans	-97.3	166.3	172.7	-48.3	-75.3	0	0	0	111.6
313	F	25	Very low	26.9	Very low	216 Å²	216	142.7 Å²	142.7	95%	0.947	79%	0.787	S	S	*	*			trans	-145.4	154.5	141.5	-95.3	-68.7	0	0	0	112.6
314	L	24.7	Very low	26.8	Very low	145 Å²	145	143.6 Å²	143.6	76%	0.759	81%	0.805	S	S	*	*			trans	-111.1	152.5	-172.3	-67.7	153.8	0	0	0	111
315	N	27.7	Very low	26.5	Very low	152 Å²	152	145.9 Å²	145.9	81%	0.813	80%	0.804	S	S	*	*				161.9	149.2	113.5	-83.9	-54.1	0	0	0	113.3
316	L	24.1	Very low	26.3	Very low	143 Å²	143	146.7 Å²	146.7	75%	0.749	80%	0.802	S	S	*	*			trans	-80.3	164.6	168.8	-91.6	71	0	0	0	111.2
317	P	25.9	Very low	25.8	Very low	126 Å²	126	145.8 Å²	145.8	82%	0.818	80%	0.798	S	S	*	*				-128.6	157.4	117.8	36.6	-31.3	0	0	0	113.7
318	K	22.3	Very low	25.7	Very low	181 Å²	181	144.2 Å²	144.2	79%	0.787	80%	0.796	S	S	*	*			trans	-105.9	133.5	163.9	-60.5	174.3	-179.4	176.5	0	108
319	C	21.4	Very low	25.3	Very low	134 Å²	134	143.1 Å²	143.1	91%	0.905	78%	0.784	S	S	*	*			trans	-177.7	158.1	134.1	-103.8	0	0	0	0	113.8
320	S	22.9	Very low	25.3	Very low	110 Å²	110	138.4 Å²	138.4	77%	0.769	77%	0.768	S	S	*	*			trans	-49.5	142.2	177.7	52.1	0	0	0	0	118.5
321	S	26	Very low	24.7	Very low	105 Å²	105	139.1 Å²	139.1	73%	0.734	77%	0.77	S	S	*	*			trans	-160.1	167.2	131.8	52.7	0	0	0	0	110.2
322	N	23.6	Very low	24.5	Very low	167 Å²	167	137.6 Å²	137.6	89%	0.893	75%	0.754	S	S	*	*			trans	-92.6	118.1	172.5	-65.6	-41.5	0	0	0	109.1
323	E	24.5	Very low	24.6	Very low	169 Å²	169	133.6 Å²	133.6	79%	0.79	74%	0.74	S	S	*	*			trans	-124.8	137.5	163	-77.3	-163.8	121.3	0	0	111.1	V325	E323-V325 HydrophobicContact CB-CG2 4.35Å
324	V	23.6	Very low	24.6	Very low	146 Å²	146	126.7 Å²	126.7	89%	0.885	71%	0.713	S	S	*	*			trans	-98.1	100.7	174.2	177.5	0	0	0	0	107
325	V	25.3	Very low	25.1	Very low	125 Å²	125	124.1 Å²	124.1	76%	0.758	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-99.8	132.2	179.3	-175.1	0	0	0	0	109.2	E323	E323-V325 HydrophobicContact CB-CG2 4.35Å
326	R	25.6	Very low	25.2	Very low	212 Å²	212	123.9 Å²	123.9	80%	0.8	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-72.2	159.8	-175.5	-67.9	176.5	168.6	94.9	-5	111.8
327	S	23.1	Very low	25.4	Very low	93 Å²	93	126.6 Å²	126.6	65%	0.65	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-54.2	142.1	170.5	33.4	0	0	0	0	111.9
328	P	26	Very low	25.5	Very low	121 Å²	121	130.9 Å²	130.9	79%	0.786	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-72.6	131.4	-178	29.2	-34.2	0	0	0	111.3	V330	P328-V330 PolarHBondContact O-N 3.06Å
329	I	23.1	Very low	25.5	Very low	122 Å²	122	130.9 Å²	130.9	63%	0.626	71%	0.707	S	S	*	*			trans	-78	115.1	175.9	-63.4	174.6	0	0	0	109.3	V331 F344	I329-V331 HydrophobicContact CG2-CG2 4.04Å; I329-F344 HydrophobicContact CD1-CE1 4.42Å; I329-F344 HydrophobicContact CD1-CE2 4.21Å; I329-F344 HydrophobicContact CD1-CZ 3.62Å
330	V	26.1	Very low	25.8	Very low	82 Å²	82	133 Å²	133	50%	0.497	71%	0.705	S	S	.	*			trans	-84.9	116.3	168.5	-179.2	0	0	0	0	108.8	P328	P328-V330 PolarHBondContact O-N 3.06Å
331	V	24.4	Very low	26	Very low	113 Å²	113	134.8 Å²	134.8	69%	0.685	70%	0.701	S	S	*	*			trans	-95.1	116	178.2	-179	0	0	0	0	109.5	I329 A333	I329-V331 HydrophobicContact CG2-CG2 4.04Å; V331-A333 PolarHBondContact O-N 2.84Å
332	M	23.9	Very low	25.9	Very low	88 Å²	88	134.3 Å²	134.3	43%	0.433	70%	0.698	S	S	.	*			trans	-78.9	111.4	164.5	-63.7	-154.7	-49.4	0	0	109.3	P147 Y161	P147-M332 HydrophobicContact CB-CE 3.83Å; P147-M332 HydrophobicContact CB-CG 3.89Å; P147-M332 HydrophobicContact CB-SD 3.72Å; Y161-M332 HydrophobicContact CD1-CB 4.48Å; Y161-M332 HydrophobicContact CD1-CE 4.17Å; Y161-M332 HydrophobicContact CD1-SD 3.99Å; Y161-M332 HydrophobicContact CE1-CE 3.61Å; Y161-M332 HydrophobicContact CE1-SD 4.06Å; Y161-M332 HydrophobicContact CG-SD 4.39Å
333	A	26.8	Very low	26	Very low	56 Å²	56	131.9 Å²	131.9	46%	0.463	69%	0.69	S	S	.	*			trans	-88.2	140.9	167.7	0	0	0	0	0	110.4	V331	V331-A333 PolarHBondContact O-N 2.84Å
334	D	25.2	Very low	26.1	Very low	71 Å²	71	131.4 Å²	131.4	38%	0.38	69%	0.685	S	S	.	*			trans	-77.1	162.1	163.4	-143.2	-46	0	0	0	109.3	R159 E336	R159-D334 WeakPolarHBondContact CD-OD2 3.31Å; R159-D334 IonicContact CZ-OD2 3.35Å; R159-D334 IonicContact NH1-OD2 3.44Å; R159-D334 PolarHBondContact NH1-OD2 3.08Å; D334-E336 PolarHBondContact O-N 3.07Å; D334-E336 VanDerWaalsContact O-N 3.09Å
335	T	35.2	Very low	26.3	Very low	91 Å²	91	132 Å²	132	56%	0.558	68%	0.684	S	S	*	*	S	Bend	trans	-75.4	7.4	-176	37.9	0	0	0	0	115	R160	R160-T335 WeakPolarHBondContact O-CG2 3.27Å
336	E	30.6	Very low	26.5	Very low	147 Å²	147	133 Å²	133	69%	0.687	69%	0.685	S	S	*	*	S	Bend	trans	-110.5	120.4	174.8	-63.6	-174.8	-173.2	0	0	110	D334 R338	D334-E336 PolarHBondContact O-N 3.07Å; D334-E336 VanDerWaalsContact O-N 3.09Å; E336-R338 VanDerWaalsContact C-N 3.27Å; E336-R338 PolarHBondContact O-N 3.49Å
337	E	28	Very low	26.8	Very low	200 Å²	200	126.7 Å²	126.7	94%	0.935	67%	0.671	S	S	*	*			trans	-72.1	63.2	-168.7	-60.2	-173.9	129.8	0	0	114.6
338	R	27.3	Very low	26.9	Very low	216 Å²	216	130.4 Å²	130.4	82%	0.815	68%	0.676	S	S	*	*			trans	-113.1	104.3	177.1	-69.5	-171.5	174.5	-169.6	-0.3	112	E336 M340	E336-R338 VanDerWaalsContact C-N 3.27Å; E336-R338 PolarHBondContact O-N 3.49Å; R338-M340 PolarHBondContact O-N 2.84Å
339	F	23.4	Very low	26.9	Very low	181 Å²	181	134.2 Å²	134.2	79%	0.794	68%	0.676	S	S	*	*			trans	-54.1	125.5	168.8	-92	-107	0	0	0	111.2
340	M	27.2	Very low	27.1	Very low	178 Å²	178	134.3 Å²	134.3	88%	0.877	68%	0.678	S	S	*	*			trans	-115.3	114.2	151.5	-71.3	-91.5	69.9	0	0	107	R338	R338-M340 PolarHBondContact O-N 2.84Å
341	Q	26.8	Very low	27.3	Very low	147 Å²	147	137.4 Å²	137.4	69%	0.687	69%	0.69	S	S	*	*			trans	-71.4	165.6	-178.8	-153.8	79.2	-4.5	0	0	110.7
342	S	23.2	Very low	27.4	Very low	95 Å²	95	139.7 Å²	139.7	66%	0.664	70%	0.697	S	S	*	*			trans	1.3	140.8	151.9	61.8	0	0	0	0	117.8
343	T	27.3	Very low	27.9	Very low	116 Å²	116	141 Å²	141	71%	0.712	71%	0.713	S	S	*	*				-157.1	140.5	67.6	-76.2	0	0	0	0	113.5
344	F	25	Very low	28.1	Very low	159 Å²	159	142 Å²	142	70%	0.697	72%	0.715	S	S	*	*			trans	-69.2	126.7	160.4	-80.2	-104.2	0	0	0	109.1	I329	I329-F344 HydrophobicContact CD1-CE1 4.42Å; I329-F344 HydrophobicContact CD1-CE2 4.21Å; I329-F344 HydrophobicContact CD1-CZ 3.62Å
345	D	29.5	Very low	28.1	Very low	160 Å²	160	144.4 Å²	144.4	86%	0.856	74%	0.735	S	S	*	*			trans	-150.7	153.1	142.3	-100.2	-40.9	0	0	0	110.6
346	N	28	Very low	27.9	Very low	146 Å²	146	143.6 Å²	143.6	78%	0.781	73%	0.734	S	S	*	*			trans	-146.7	170.9	-164.8	-156.6	28	0	0	0	106.9
347	P	33.1	Very low	27.8	Very low	79 Å²	79	141.1 Å²	141.1	51%	0.513	73%	0.732	S	S	.	*			cis	-121.1	-167.8	-33.9	14.7	10.4	0	0	0	110.8
348	F	24.4	Very low	27.9	Very low	170 Å²	170	142.2 Å²	142.2	75%	0.746	73%	0.728	S	S	*	*			trans	71.7	147.3	160.6	-62.1	-76.9	0	0	0	119.7
349	Y	26.9	Very low	27.9	Very low	202 Å²	202	138.3 Å²	138.3	79%	0.792	72%	0.723	S	S	*	*			trans	65.9	146.9	163.8	-59.2	-56.5	0	0	0	115.6
350	N	27.7	Very low	28.1	Very low	124 Å²	124	134.7 Å²	134.7	66%	0.663	72%	0.719	S	S	*	*			cis	-162.3	170.1	-7.9	-126.8	-19.8	0	0	0	111.7
351	I	28.8	Very low	28.2	Very low	147 Å²	147	132.2 Å²	132.2	75%	0.754	72%	0.715	S	S	*	*			trans	66.5	102.9	147.8	-64.2	161.6	0	0	0	119
352	L	26.1	Very low	28.4	Very low	160 Å²	160	133.9 Å²	133.9	84%	0.838	72%	0.722	S	S	*	*			trans	-80.6	175.3	139.9	-71.2	159.5	0	0	0	109.7
353	P	35.6	Very low	28.7	Very low	116 Å²	116	134.3 Å²	134.3	75%	0.753	73%	0.725	S	S	*	*			cis	-119.1	-117.1	-17.4	23.8	3.2	0	0	0	108.2
354	P	31.6	Very low	29	Very low	78 Å²	78	132.3 Å²	132.3	51%	0.506	73%	0.728	S	S	.	*			cis	-136	141.4	-30	35.7	-15.4	0	0	0	118.3
355	C	25.3	Very low	29.5	Very low	121 Å²	121	133.2 Å²	133.2	82%	0.818	73%	0.734	S	S	*	*			trans	36.3	121.9	131.6	-157.1	0	0	0	0	123.2
356	S	29.2	Very low	29.4	Very low	74 Å²	74	130.5 Å²	130.5	52%	0.517	73%	0.727	S	S	.	*			trans	179.6	133.8	139.7	19.8	0	0	0	0	107.8
357	S	29.5	Very low	29.6	Very low	94 Å²	94	130.2 Å²	130.2	66%	0.657	73%	0.731	S	S	*	*			cis	81.2	110.9	35.2	-164.9	0	0	0	0	114.1
358	W	29.1	Very low	29.4	Very low	223 Å²	223	133.7 Å²	133.7	85%	0.845	74%	0.744	S	S	*	*			trans	-167.3	123.3	142	-78.6	-24.8	0	0	0	105.7
359	D	27.2	Very low	29.7	Very low	134 Å²	134	131.5 Å²	131.5	72%	0.717	75%	0.745	S	S	*	*				66.1	137.5	79.8	-61.3	-55.6	0	0	0	111.6
360	C	27.5	Very low	29.7	Very low	106 Å²	106	130.4 Å²	130.4	72%	0.716	74%	0.744	S	S	*	*			cis	-162.8	170.5	43.9	-143.7	0	0	0	0	113.7
361	T	29.9	Very low	29.9	Very low	126 Å²	126	133.5 Å²	133.5	77%	0.773	75%	0.752	S	S	*	*			trans	68.3	148.7	160.7	55.8	0	0	0	0	119.2
362	E	31.6	Very low	30	Very low	182 Å²	182	132 Å²	132	85%	0.85	76%	0.755	S	S	*	*			cis	-138.5	166.6	4.7	-143.2	170.7	-175.9	0	0	113.9
363	S	28.4	Very low	30.2	Very low	104 Å²	104	127.8 Å²	127.8	73%	0.727	74%	0.739	S	S	*	*			trans	-83.7	148.8	-170.3	51.8	0	0	0	0	115.2
364	G	34.6	Very low	30	Very low	74 Å²	74	133 Å²	133	76%	0.763	74%	0.743	S	S	*	*			trans	-156.7	96.9	174.7	0	0	0	0	0	114.8
365	H	35	Very low	30	Very low	177 Å²	177	135.9 Å²	135.9	82%	0.819	75%	0.754	S	S	*	*			trans	-43.8	129	173.8	-51	-92.7	0	0	0	112.8
366	S	27.1	Very low	30.5	Very low	103 Å²	103	136.1 Å²	136.1	72%	0.72	75%	0.752	S	S	*	*				51.3	97.6	67.7	-168.9	0	0	0	0	114.6
367	T	32.5	Very low	30.6	Very low	141 Å²	141	138.7 Å²	138.7	87%	0.865	76%	0.759	S	S	*	*			trans	-176.3	162.6	131.3	20.2	0	0	0	0	113
368	L	28.6	Very low	30.8	Very low	151 Å²	151	140.1 Å²	140.1	79%	0.791	77%	0.77	S	S	*	*			trans	-70.3	153.1	173.9	-49.1	90.9	0	0	0	111.6
369	T	30.5	Very low	30.8	Very low	124 Å²	124	136.8 Å²	136.8	76%	0.761	77%	0.769	S	S	*	*				177.8	138.8	103	30.1	0	0	0	0	116.2
370	K	28.8	Very low	31.1	Very low	179 Å²	179	141.4 Å²	141.4	78%	0.778	78%	0.776	S	S	*	*			trans	38.8	138.9	136.6	-74.7	172.5	176.2	165	0	122.7
371	K	30.6	Very low	31.1	Very low	189 Å²	189	143 Å²	143	82%	0.822	78%	0.776	S	S	*	*			trans	79.1	120.3	149.2	-70.9	167	177.6	-175	0	115.7
372	S	30.4	Very low	31.1	Very low	116 Å²	116	147.3 Å²	147.3	81%	0.811	78%	0.779	S	S	*	*				88.6	150.8	75.2	-138.7	0	0	0	0	110.6
373	S	31.5	Very low	30.8	Very low	72 Å²	72	147.2 Å²	147.2	50%	0.503	78%	0.779	S	S	.	*			cis	-165.6	160.9	18.4	76.2	0	0	0	0	112.5
374	R	30.5	Very low	30.8	Very low	224 Å²	224	149.5 Å²	149.5	85%	0.845	78%	0.782	S	S	*	*			trans	66.8	154.3	149.7	-64.6	162.9	-159	-136	0.7	116.2
375	L	32.7	Very low	30.5	Very low	140 Å²	140	150.7 Å²	150.7	73%	0.733	78%	0.775	S	S	*	*			cis	-122.5	-145.5	-11.8	-110.7	149.3	0	0	0	106.4
376	T	34.2	Very low	30.1	Very low	125 Å²	125	150 Å²	150	77%	0.767	78%	0.777	S	S	*	*			cis	-153	159.6	3.9	-35.2	0	0	0	0	108.9
377	D	31.4	Very low	30.1	Very low	128 Å²	128	154 Å²	154	68%	0.684	79%	0.785	S	S	*	*			trans	-77.8	156	-176.3	-45.8	-92.5	0	0	0	115.3
378	S	35.2	Very low	29.8	Very low	125 Å²	125	151.2 Å²	151.2	87%	0.874	77%	0.771	S	S	*	*				-172.4	132.3	115.6	-81.5	0	0	0	0	113.1
379	N	29.2	Very low	30.2	Very low	153 Å²	153	150.1 Å²	150.1	82%	0.818	77%	0.773	S	S	*	*			trans	-93.6	136.6	176.8	-78.2	-60.9	0	0	0	112.7
380	R	31.8	Very low	30.2	Very low	231 Å²	231	149.2 Å²	149.2	87%	0.872	77%	0.769	S	S	*	*			trans	-170.2	110.4	144.1	-104	163.7	-174.8	-171.4	0.7	106.6
381	I	28.9	Very low	30	Very low	139 Å²	139	152.2 Å²	152.2	71%	0.713	78%	0.775	S	S	*	*				48.4	93.6	73.5	-51.9	176.1	0	0	0	110.9
382	Y	28.8	Very low	30	Very low	217 Å²	217	151.2 Å²	151.2	85%	0.851	77%	0.771	S	S	*	*				-144.5	142.8	123.2	-100.3	-71.8	0	0	0	110.1
383	Q	26.3	Very low	29.9	Very low	180 Å²	180	151.5 Å²	151.5	84%	0.841	76%	0.76	S	S	*	*			trans	-117.4	114.6	-174.6	174.9	-176.5	4.8	0	0	107.1
384	I	29.1	Very low	29.8	Very low	152 Å²	152	153.7 Å²	153.7	78%	0.779	76%	0.762	S	S	*	*			trans	-130.9	125.1	178.1	-56.3	-177.5	0	0	0	108.5
385	P	27.1	Very low	29.7	Very low	98 Å²	98	150 Å²	150	64%	0.636	75%	0.748	S	S	*	*			trans	-96.6	172.9	-176.6	6.5	15.2	0	0	0	113.5
386	L	27	Very low	29.5	Very low	164 Å²	164	150.8 Å²	150.8	86%	0.859	75%	0.751	S	S	*	*			trans	29.1	123.6	144.3	-60.7	166.4	0	0	0	119.1
387	E	26.9	Very low	29.2	Very low	187 Å²	187	149.1 Å²	149.1	87%	0.874	75%	0.745	S	S	*	*				-159.5	163.4	107.6	-118.4	-173.5	129.5	0	0	113.9
388	S	26.5	Very low	29	Very low	82 Å²	82	148.6 Å²	148.6	57%	0.573	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-90.7	159.4	175.7	53.2	0	0	0	0	112.3
389	P	35.9	Very low	28.7	Very low	128 Å²	128	154.1 Å²	154.1	83%	0.831	75%	0.753	S	S	*	*	S	Bend	trans	-53.5	121.8	172.6	-25.3	34.9	0	0	0	111.8
390	P	32.3	Very low	28.7	Very low	105 Å²	105	150.4 Å²	150.4	68%	0.682	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-84	140.9	-161.4	30.1	-35.9	0	0	0	114.6
391	R	24.5	Very low	28.7	Very low	241 Å²	241	147.3 Å²	147.3	91%	0.909	74%	0.739	S	S	*	*			trans	-105.6	127.1	155.2	-77	176.3	166.9	172.8	-4.7	108.6
392	K	30.3	Very low	28.6	Very low	168 Å²	168	147.2 Å²	147.2	73%	0.73	74%	0.735	S	S	*	*			trans	-159.4	171.3	154.9	-115.6	162	-173.2	176.1	0	112.7	F972	K392-F972 HydrophobicContact CB-CE2 4.4Å; K392-F972 WeakPolarHBondContact O-CD1 3.39Å; K392-F972 VanDerWaalsContact O-CE1 3.24Å; K392-F972 WeakPolarHBondContact O-CE1 3.36Å
393	Q	28	Very low	28.8	Very low	123 Å²	123	141.1 Å²	141.1	58%	0.575	72%	0.717	S	S	*	*			trans	-121.3	173.6	-159.1	-70.7	174.6	-83	0	0	112.7	S973 S974	Q393-S973 VanDerWaalsContact CA-OG 3.31Å; Q393-S973 WeakPolarHBondContact CA-OG 3.09Å; Q393-S974 WeakPolarHBondContact CB-OG 3.14Å
394	Q	29.7	Very low	28.9	Very low	118 Å²	118	136.3 Å²	136.3	55%	0.551	70%	0.7	S	S	*	*			trans	75	152.9	164.5	-63.2	171.1	-84.1	0	0	118.4	F972 S973 S974	Q394-F972 CarbonylContact O-C 3.56Å; Q394-F972 WeakPolarHBondContact O-CB 3.36Å; Q394-S973 CarbonylContact C-O 3.28Å; Q394-S973 VanDerWaalsContact C-O 3.28Å; Q394-S973 WeakPolarHBondContact CA-O 3.3Å; Q394-S973 PolarHBondContact N-O 3.16Å; Q394-S973 VanDerWaalsContact N-O 3.14Å; Q394-S973 PolarHBondContact N-OG 2.94Å; Q394-S973 PolarHBondContact O-N 3.01Å; Q394-S974 PolarHBondContact N-OG 2.94Å
395	R	27.9	Very low	29.1	Very low	147 Å²	147	130.8 Å²	130.8	56%	0.555	68%	0.675	S	S	*	*			cis	-179.3	-176	-34.1	-161.4	163.1	171.4	-174.8	-6.5	107.2
396	I	28.3	Very low	29.2	Very low	155 Å²	155	130.8 Å²	130.8	80%	0.795	67%	0.666	S	S	*	*			trans	80.3	138.3	160.6	-61.6	160.9	0	0	0	114.3
397	S	27.5	Very low	29.5	Very low	91 Å²	91	127.6 Å²	127.6	64%	0.636	65%	0.653	S	S	*	*			cis	-159.5	132	-11.5	47.8	0	0	0	0	111
398	C	27.5	Very low	29.8	Very low	116 Å²	116	126.6 Å²	126.6	78%	0.784	65%	0.646	S	S	*	*				74.4	111.9	96.2	-51.6	0	0	0	0	118.1
399	Y	29.4	Very low	30	Very low	241 Å²	241	128.4 Å²	128.4	95%	0.945	65%	0.65	S	S	*	*			trans	-158.3	147.7	141	-91.1	-79	0	0	0	107
400	A	28.8	Very low	30	Very low	75 Å²	75	126.5 Å²	126.5	62%	0.62	64%	0.639	S	S	*	*			cis	164.1	144.9	-49.5	0	0	0	0	0	107.9
401	H	31.7	Very low	30	Very low	167 Å²	167	128.7 Å²	128.7	77%	0.773	65%	0.645	S	S	*	*			trans	98.5	118.8	-171.4	-64.2	-71.5	0	0	0	114.2
402	E	27.9	Very low	30.5	Very low	137 Å²	137	124.1 Å²	124.1	64%	0.64	64%	0.639	S	S	*	*				86.2	146.8	56.8	-76.5	-175.2	149	0	0	112.9	Y491	E402-Y491 PolarHBondContact O-OH 3.01Å; E402-Y491 VanDerWaalsContact O-OH 3.07Å
403	L	31.4	Very low	30.7	Very low	89 Å²	89	120.2 Å²	120.2	47%	0.466	63%	0.632	S	S	.	*			cis	-148.9	-161.5	21.5	-127.5	155.8	0	0	0	113.8	Y491 S492	L403-Y491 HydrophobicContact CB-CE1 3.86Å; L403-Y491 PolarHBondContact N-OH 2.92Å; L403-S492 WeakPolarHBondContact O-CB 3.49Å; L403-S492 PolarHBondContact O-OG 2.06Å
404	T	30.1	Very low	30.8	Very low	79 Å²	79	121.2 Å²	121.2	49%	0.485	64%	0.642	S	S	.	*			trans	-139.5	-164.5	-156.6	70.2	0	0	0	0	117.2	T493	T404-T493 WeakPolarHBondContact O-CG2 3.37Å
405	S	31.9	Very low	31	Very low	35 Å²	35	124.2 Å²	124.2	25%	0.245	66%	0.656	C	S	.	*			trans	84.9	104.8	163.8	-49.3	0	0	0	0	126.5	T493 K495	S405-T493 WeakPolarHBondContact O-CB 3.33Å; S405-T493 PolarHBondContact O-OG1 3Å; S405-K495 WeakPolarHBondContact OG-CD 3.29Å; S405-K495 WeakPolarHBondContact OG-CE 3.45Å; S405-K495 PolarHBondContact OG-NZ 3.15Å
406	E	30.7	Very low	31.3	Very low	98 Å²	98	124.9 Å²	124.9	46%	0.458	67%	0.67	S	S	.	*			trans	86.7	147.7	140.7	-65.4	162.6	-133.6	0	0	121.3	T493 A494 K495	E406-T493 PolarHBondContact N-OG1 2.9Å; E406-T493 PolarHBondContact O-OG1 2.92Å; E406-A494 VanDerWaalsContact CA-O 3.27Å; E406-A494 WeakPolarHBondContact CA-O 3.49Å; E406-A494 PolarHBondContact N-O 2.84Å; E406-K495 HydrophobicContact CG-CB 3.88Å; E406-K495 HydrophobicContact CG-CD 3.89Å; E406-K495 WeakPolarHBondContact OE1-CD 3.37Å; E406-K495 WeakPolarHBondContact OE1-CE 3.42Å; E406-K495 IonicContact OE1-NZ 3.44Å; E406-K495 PolarHBondContact OE1-NZ 2.61Å
407	T	32.4	Very low	31.8	Very low	97 Å²	97	122.5 Å²	122.5	60%	0.595	66%	0.664	S	S	*	*			cis	-179.5	172.9	-39.4	18.1	0	0	0	0	112.5
408	K	33.1	Very low	32	Very low	167 Å²	167	123.1 Å²	123.1	73%	0.726	67%	0.669	S	S	*	*			trans	73.1	161.4	154.8	-78.1	177.4	143.5	-67.4	0	117.6
409	D	31.3	Very low	32.1	Very low	120 Å²	120	122.8 Å²	122.8	64%	0.642	67%	0.668	S	S	*	*			cis	-164.6	173.4	-1.3	-100.7	-17.7	0	0	0	107.2
410	S	34.4	Very low	32.2	Very low	87 Å²	87	117.8 Å²	117.8	61%	0.608	66%	0.662	S	S	*	*			cis	-174.3	143.3	-21.3	55.5	0	0	0	0	112.6
411	D	33.1	Very low	32.1	Very low	152 Å²	152	120.1 Å²	120.1	81%	0.813	67%	0.669	S	S	*	*			trans	74.4	164.5	148.1	-62.8	-42.2	0	0	0	126.5
412	D	35.7	Very low	32.2	Very low	145 Å²	145	117.3 Å²	117.3	78%	0.775	67%	0.665	S	S	*	*			trans	66.2	123.8	175.4	-76.3	-54.2	0	0	0	119.9
413	S	34.2	Very low	32.2	Very low	85 Å²	85	116.4 Å²	116.4	59%	0.594	67%	0.669	S	S	*	*			cis	93.2	143.3	46.3	91.5	0	0	0	0	112.9
414	N	30.3	Very low	32.1	Very low	145 Å²	145	119 Å²	119	78%	0.775	68%	0.682	S	S	*	*			cis	-159.2	179.9	25.7	-120.5	-47.8	0	0	0	114.8
415	E	33.6	Very low	32	Very low	180 Å²	180	121.6 Å²	121.6	84%	0.841	69%	0.693	S	S	*	*			trans	85.5	162.4	154.1	-81.2	-172.5	145.2	0	0	125.8
416	L	34.1	Very low	31.9	Very low	162 Å²	162	128.4 Å²	128.4	85%	0.848	72%	0.718	S	S	*	*			trans	-162.4	-165.4	-151.1	-123.9	71.1	0	0	0	108.9
417	P	38	Very low	31.9	Very low	105 Å²	105	130 Å²	130	68%	0.682	73%	0.734	S	S	*	*			cis	-137	-158.2	-36.2	40.4	-20.9	0	0	0	114.5
418	S	33	Very low	31.8	Very low	104 Å²	104	131.3 Å²	131.3	73%	0.727	75%	0.745	S	S	*	*			trans	91.2	112.9	158	82.7	0	0	0	0	117.9
419	S	29	Very low	31.5	Very low	109 Å²	109	126.6 Å²	126.6	76%	0.762	74%	0.743	S	S	*	*				84	139.3	86.8	82.9	0	0	0	0	113.1
420	V	31.3	Very low	31.4	Very low	135 Å²	135	127.7 Å²	127.7	82%	0.818	75%	0.754	S	S	*	*			cis	-147.1	163.5	31.7	172.5	0	0	0	0	111.8
421	T	26.7	Very low	31.3	Very low	125 Å²	125	132.9 Å²	132.9	77%	0.767	77%	0.769	S	S	*	*			trans	-109.9	178.4	-179.7	31	0	0	0	0	113.4
422	P	34.1	Very low	31.1	Very low	108 Å²	108	137.1 Å²	137.1	70%	0.701	77%	0.773	S	S	*	*			cis	-138.2	-172.4	-10.5	25.5	-0	0	0	0	116.6
423	T	27.9	Very low	30.9	Very low	118 Å²	118	137.8 Å²	137.8	72%	0.724	77%	0.772	S	S	*	*			trans	101.3	133.4	136.8	4.7	0	0	0	0	122.8
424	I	28.9	Very low	31	Very low	144 Å²	144	135.8 Å²	135.8	74%	0.738	76%	0.764	S	S	*	*			trans	66.5	113.7	161.4	-53.7	178.5	0	0	0	114.7
425	N	27.9	Very low	31.5	Very low	133 Å²	133	134 Å²	134	71%	0.711	76%	0.762	S	S	*	*			cis	-163.1	-179.4	47	-133.5	-30.3	0	0	0	113.6
426	K	29.6	Very low	32.1	Very low	178 Å²	178	130.8 Å²	130.8	77%	0.774	75%	0.75	S	S	*	*			trans	-36.1	160.1	174.9	-59.3	163.5	-174.2	174.9	0	116.9
427	T	30.6	Very low	32.8	Very low	130 Å²	130	127 Å²	127	80%	0.798	73%	0.73	S	S	*	*			cis	-151.5	-161.3	38.5	-21.8	0	0	0	0	111.7
428	P	30.1	Very low	33.4	Very low	125 Å²	125	128.7 Å²	128.7	81%	0.812	73%	0.727	S	S	*	*			trans	-115	165.2	-142.2	39.3	-20.3	0	0	0	116.8
429	G	28.2	Very low	34.4	Very low	68 Å²	68	127.7 Å²	127.7	70%	0.701	72%	0.716	S	S	*	*			trans	-167.3	152	169.1	0	0	0	0	0	114.3
430	V	28.7	Very low	35.6	Very low	144 Å²	144	127.2 Å²	127.2	87%	0.873	70%	0.704	S	S	*	*			trans	53.9	92.3	168	-165.5	0	0	0	0	116.6
431	Q	31.4	Very low	36.5	Very low	195 Å²	195	123 Å²	123	91%	0.911	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-91.7	147.6	150.9	-71.2	-161.4	15	0	0	110.1
432	R	30.4	Very low	38	Very low	241 Å²	241	121.9 Å²	121.9	91%	0.909	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-72.4	133.2	-178.9	-67.7	175.9	176.8	141.5	-1.2	110.6	G434	R432-G434 PolarHBondContact O-N 2.9Å
433	E	31.1	Very low	38.8	Very low	160 Å²	160	123.1 Å²	123.1	75%	0.748	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-64.4	123.5	174.2	-173.6	160.9	-150.2	0	0	110.6	N437	E433-N437 HydrophobicContact CG-CB 4.43Å; E433-N437 PolarHBondContact OE1-ND2 2.62Å
434	G	35.3	Very low	40.2	Very low	42 Å²	42	121.2 Å²	121.2	43%	0.433	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-82.6	143.6	-174.1	0	0	0	0	0	112.4	R432 I436 N437	R432-G434 PolarHBondContact O-N 2.9Å; G434-I436 PolarHBondContact O-N 2.81Å; G434-N437 PolarHBondContact O-N 3.17Å; G434-N437 VanDerWaalsContact O-N 3.1Å
435	C	42.4	Very low	41.3	Very low	108 Å²	108	119.8 Å²	119.8	73%	0.73	65%	0.646	S	S	*	*	H	α-helix	trans	-54	-17.6	-176.8	-53.5	0	0	0	0	115.1	N437 K438 V439	C435-N437 VanDerWaalsContact C-N 3.32Å; C435-N437 PolarHBondContact O-N 3.13Å; C435-K438 WeakPolarHBondContact O-CB 3.34Å; C435-K438 PolarHBondContact O-N 2.83Å; C435-K438 VanDerWaalsContact O-N 3.16Å; C435-V439 PolarHBondContact O-N 2.97Å
436	I	45	Very low	41.9	Very low	113 Å²	113	117.2 Å²	117.2	58%	0.579	63%	0.632	S	S	*	*	H	α-helix	trans	-60	-37.8	176.3	-161.4	68.9	0	0	0	112.6	G434 K438 V439 I440	G434-I436 PolarHBondContact O-N 2.81Å; I436-K438 VanDerWaalsContact C-N 3.28Å; I436-K438 PolarHBondContact O-N 2.79Å; I436-V439 PolarHBondContact O-N 2.94Å; I436-I440 HydrophobicContact CG1-CD1 4.26Å; I436-I440 VanDerWaalsContact O-CG1 3.31Å; I436-I440 WeakPolarHBondContact O-CG1 3.43Å; I436-I440 PolarHBondContact O-N 3.1Å
437	N	48.9	Very low	42.5	Very low	81 Å²	81	111.8 Å²	111.8	43%	0.433	61%	0.611	S	S	.	*	H	α-helix	trans	-62.5	-40.2	175.8	-73.2	7.4	0	0	0	110.7	E433 G434 C435 I440 A441	E433-N437 HydrophobicContact CG-CB 4.43Å; E433-N437 PolarHBondContact OE1-ND2 2.62Å; G434-N437 PolarHBondContact O-N 3.17Å; G434-N437 VanDerWaalsContact O-N 3.1Å; C435-N437 VanDerWaalsContact C-N 3.32Å; C435-N437 PolarHBondContact O-N 3.13Å; N437-I440 PolarHBondContact O-N 2.78Å; N437-A441 WeakPolarHBondContact O-CB 3.45Å; N437-A441 PolarHBondContact O-N 2.75Å
438	K	51.9	Low	43.4	Very low	142 Å²	142	109.3 Å²	109.3	62%	0.617	60%	0.595	S	S	*	*	H	α-helix	trans	-68.2	-38.7	178.9	-159.8	176.6	-177.9	-175.6	0	112.2	C435 I436 A441 E442	C435-K438 WeakPolarHBondContact O-CB 3.34Å; C435-K438 PolarHBondContact O-N 2.83Å; C435-K438 VanDerWaalsContact O-N 3.16Å; I436-K438 VanDerWaalsContact C-N 3.28Å; I436-K438 PolarHBondContact O-N 2.79Å; K438-A441 PolarHBondContact O-N 2.79Å; K438-E442 WeakPolarHBondContact O-CB 3.43Å; K438-E442 WeakPolarHBondContact O-CG 3.11Å; K438-E442 PolarHBondContact O-N 3Å
439	V	52.2	Low	44.1	Very low	83 Å²	83	108.4 Å²	108.4	50%	0.503	58%	0.58	S	S	.	*	H	α-helix	trans	-67.2	-37.8	173.6	174.5	0	0	0	0	111.7	C435 I436 F443	C435-V439 PolarHBondContact O-N 2.97Å; I436-V439 PolarHBondContact O-N 2.94Å; V439-F443 VanDerWaalsContact O-CB 3.24Å; V439-F443 WeakPolarHBondContact O-CB 3.22Å; V439-F443 PolarHBondContact O-N 3.44Å
440	I	54	Low	44.8	Very low	98 Å²	98	112.3 Å²	112.3	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-66.4	-42.1	174.2	-68	164.4	0	0	0	110.5	I436 N437 F443 T444	I436-I440 HydrophobicContact CG1-CD1 4.26Å; I436-I440 VanDerWaalsContact O-CG1 3.31Å; I436-I440 WeakPolarHBondContact O-CG1 3.43Å; I436-I440 PolarHBondContact O-N 3.1Å; N437-I440 PolarHBondContact O-N 2.78Å; I440-F443 PolarHBondContact O-N 2.96Å; I440-T444 WeakPolarHBondContact O-CB 3.38Å; I440-T444 PolarHBondContact O-N 3.45Å; I440-T444 PolarHBondContact O-OG1 2.99Å
441	A	51.1	Low	45.5	Very low	47 Å²	47	110.3 Å²	110.3	39%	0.388	56%	0.559	S	S	.	*	H	α-helix	trans	-62.6	-49.2	174.8	0	0	0	0	0	112.2	N437 K438 F443 T444 L445	N437-A441 WeakPolarHBondContact O-CB 3.45Å; N437-A441 PolarHBondContact O-N 2.75Å; K438-A441 PolarHBondContact O-N 2.79Å; A441-F443 PolarHBondContact O-N 3Å; A441-T444 PolarHBondContact O-N 2.89Å; A441-L445 WeakPolarHBondContact O-CB 3.36Å; A441-L445 WeakPolarHBondContact O-CG 3.35Å; A441-L445 PolarHBondContact O-N 2.85Å
442	E	58	Low	46.1	Very low	101 Å²	101	106.5 Å²	106.5	47%	0.472	54%	0.544	S	S	.	.	H	α-helix	trans	-60.1	-42.4	175.1	-78.4	176.1	-175.7	0	0	111.9	K438 T444 L445 L446	K438-E442 WeakPolarHBondContact O-CB 3.43Å; K438-E442 WeakPolarHBondContact O-CG 3.11Å; K438-E442 PolarHBondContact O-N 3Å; E442-T444 VanDerWaalsContact C-N 3.31Å; E442-T444 PolarHBondContact O-N 2.57Å; E442-L445 PolarHBondContact O-N 2.96Å; E442-L446 VanDerWaalsContact O-CB 3.26Å; E442-L446 WeakPolarHBondContact O-CB 3.26Å; E442-L446 VanDerWaalsContact O-CG 3.23Å; E442-L446 WeakPolarHBondContact O-CG 3.5Å; E442-L446 PolarHBondContact O-N 3.3Å
443	F	50.7	Low	46.9	Very low	134 Å²	134	99.3 Å²	99.3	59%	0.588	52%	0.522	S	S	*	.	H	α-helix	trans	-67.1	-31.7	177	-168.4	-97.9	0	0	0	112.7	V439 I440 A441 N447	V439-F443 VanDerWaalsContact O-CB 3.24Å; V439-F443 WeakPolarHBondContact O-CB 3.22Å; V439-F443 PolarHBondContact O-N 3.44Å; I440-F443 PolarHBondContact O-N 2.96Å; A441-F443 PolarHBondContact O-N 3Å; F443-N447 WeakPolarHBondContact CD1-ND2 3.21Å; F443-N447 WeakPolarHBondContact CE1-ND2 3.23Å; F443-N447 VanDerWaalsContact O-CG 3.24Å; F443-N447 PolarHBondContact O-N 2.96Å; F443-N447 PolarHBondContact O-ND2 3.03Å
444	T	57.1	Low	47.3	Very low	78 Å²	78	98.5 Å²	98.5	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-73.5	-45.5	176	-52.6	0	0	0	0	110.3	I440 A441 E442 N447 V448	I440-T444 WeakPolarHBondContact O-CB 3.38Å; I440-T444 PolarHBondContact O-N 3.45Å; I440-T444 PolarHBondContact O-OG1 2.99Å; A441-T444 PolarHBondContact O-N 2.89Å; E442-T444 VanDerWaalsContact C-N 3.31Å; E442-T444 PolarHBondContact O-N 2.57Å; T444-N447 PolarHBondContact O-N 3.12Å; T444-V448 WeakPolarHBondContact O-CG2 3.31Å; T444-V448 PolarHBondContact O-N 2.9Å
445	L	52.1	Low	47.5	Very low	114 Å²	114	103.1 Å²	103.1	60%	0.597	54%	0.535	S	S	*	.	H	α-helix	trans	-60.2	-45.1	174.4	-73.1	167	0	0	0	112	A441 E442 N447 V448 E449	A441-L445 WeakPolarHBondContact O-CB 3.36Å; A441-L445 WeakPolarHBondContact O-CG 3.35Å; A441-L445 PolarHBondContact O-N 2.85Å; E442-L445 PolarHBondContact O-N 2.96Å; L445-N447 PolarHBondContact O-N 3.21Å; L445-V448 PolarHBondContact O-N 2.97Å; L445-E449 WeakPolarHBondContact O-CB 3.39Å; L445-E449 PolarHBondContact O-N 3.2Å
446	L	42.1	Very low	47.3	Very low	80 Å²	80	102.2 Å²	102.2	42%	0.419	53%	0.53	S	S	.	.	H	α-helix	trans	-69.8	-12.7	179	-73.8	170.3	0	0	0	114.8	E442 R450	E442-L446 VanDerWaalsContact O-CB 3.26Å; E442-L446 WeakPolarHBondContact O-CB 3.26Å; E442-L446 VanDerWaalsContact O-CG 3.23Å; E442-L446 WeakPolarHBondContact O-CG 3.5Å; E442-L446 PolarHBondContact O-N 3.3Å; L446-R450 WeakPolarHBondContact O-CB 3.38Å; L446-R450 WeakPolarHBondContact O-CG 3.34Å; L446-R450 PolarHBondContact O-NH1 3.49Å; L446-R450 VanDerWaalsContact O-NH1 3.14Å
447	N	41.8	Very low	46.9	Very low	63 Å²	63	101.9 Å²	101.9	34%	0.337	53%	0.533	S	S	.	.	H	α-helix	trans	-90.1	-46.9	168.9	-69.7	-27.9	0	0	0	110.4	F443 T444 L445 E449 R450 D451	F443-N447 WeakPolarHBondContact CD1-ND2 3.21Å; F443-N447 WeakPolarHBondContact CE1-ND2 3.23Å; F443-N447 VanDerWaalsContact O-CG 3.24Å; F443-N447 PolarHBondContact O-N 2.96Å; F443-N447 PolarHBondContact O-ND2 3.03Å; T444-N447 PolarHBondContact O-N 3.12Å; L445-N447 PolarHBondContact O-N 3.21Å; N447-E449 VanDerWaalsContact C-N 3.32Å; N447-E449 PolarHBondContact O-N 3.42Å; N447-R450 CarbonylContact O-C 3.56Å; N447-R450 WeakPolarHBondContact O-CA 3.46Å; N447-R450 WeakPolarHBondContact O-CB 3.47Å; N447-R450 PolarHBondContact O-N 2.9Å; N447-D451 PolarHBondContact O-N 2.84Å
448	V	48.3	Very low	46.1	Very low	78 Å²	78	105 Å²	105	47%	0.473	55%	0.549	S	S	.	.	H	α-helix	trans	-59.1	-41.9	174.3	172.4	0	0	0	0	111.7	T444 L445 R450 D451 L452	T444-V448 WeakPolarHBondContact O-CG2 3.31Å; T444-V448 PolarHBondContact O-N 2.9Å; L445-V448 PolarHBondContact O-N 2.97Å; V448-R450 VanDerWaalsContact C-N 3.34Å; V448-D451 PolarHBondContact O-N 2.78Å; V448-L452 HydrophobicContact CG1-CD1 3.99Å; V448-L452 WeakPolarHBondContact O-CB 3.32Å; V448-L452 VanDerWaalsContact O-CG 3.28Å; V448-L452 WeakPolarHBondContact O-CG 3.35Å; V448-L452 PolarHBondContact O-N 3.18Å
449	E	45	Very low	45.2	Very low	106 Å²	106	105.8 Å²	105.8	50%	0.495	56%	0.561	S	S	.	*	H	α-helix	trans	-68.1	-32.6	175.6	-172.9	175.9	-150.4	0	0	111.8	L445 N447 I453	L445-E449 WeakPolarHBondContact O-CB 3.39Å; L445-E449 PolarHBondContact O-N 3.2Å; N447-E449 VanDerWaalsContact C-N 3.32Å; N447-E449 PolarHBondContact O-N 3.42Å; E449-I453 HydrophobicContact CG-CD1 3.85Å; E449-I453 VanDerWaalsContact O-CB 3.3Å; E449-I453 WeakPolarHBondContact O-CB 3.48Å; E449-I453 WeakPolarHBondContact O-CG1 3.45Å; E449-I453 PolarHBondContact O-N 3.47Å
450	R	43.2	Very low	44.3	Very low	151 Å²	151	107.8 Å²	107.8	57%	0.57	58%	0.578	S	S	*	*	H	α-helix	trans	-68.6	-43.6	170.6	-90.5	-178.8	175.1	73.4	5.1	112.2	L446 N447 V448 L452 I453 M454	L446-R450 WeakPolarHBondContact O-CB 3.38Å; L446-R450 WeakPolarHBondContact O-CG 3.34Å; L446-R450 PolarHBondContact O-NH1 3.49Å; L446-R450 VanDerWaalsContact O-NH1 3.14Å; N447-R450 CarbonylContact O-C 3.56Å; N447-R450 WeakPolarHBondContact O-CA 3.46Å; N447-R450 WeakPolarHBondContact O-CB 3.47Å; N447-R450 PolarHBondContact O-N 2.9Å; V448-R450 VanDerWaalsContact C-N 3.34Å; R450-L452 VanDerWaalsContact C-N 3.29Å; R450-L452 PolarHBondContact O-N 2.89Å; R450-I453 PolarHBondContact O-N 2.96Å; R450-M454 VanDerWaalsContact O-CB 3.31Å; R450-M454 WeakPolarHBondContact O-CB 3.46Å; R450-M454 VanDerWaalsContact O-CG 3.22Å; R450-M454 WeakPolarHBondContact O-CG 3.27Å; R450-M454 PolarHBondContact O-N 3.27Å
451	D	43.5	Very low	43.2	Very low	102 Å²	102	110.9 Å²	110.9	55%	0.545	60%	0.596	S	S	.	*	H	α-helix	trans	-64.4	-37.2	176.6	-68.1	-30.1	0	0	0	110.4	N447 V448 N455	N447-D451 PolarHBondContact O-N 2.84Å; V448-D451 PolarHBondContact O-N 2.78Å; D451-N455 VanDerWaalsContact O-CB 3.28Å; D451-N455 WeakPolarHBondContact O-CB 3.01Å; D451-N455 VanDerWaalsContact O-CG 3.3Å; D451-N455 PolarHBondContact O-N 3.03Å; D451-N455 VanDerWaalsContact O-N 3.1Å; D451-N455 PolarHBondContact O-ND2 3.2Å
452	L	44.2	Very low	42.4	Very low	114 Å²	114	117 Å²	117	60%	0.597	62%	0.621	S	S	*	*	H	α-helix	trans	-69.1	-41	173.5	-71.7	167.8	0	0	0	112.8	V448 R450 N455 S456	V448-L452 HydrophobicContact CG1-CD1 3.99Å; V448-L452 WeakPolarHBondContact O-CB 3.32Å; V448-L452 VanDerWaalsContact O-CG 3.28Å; V448-L452 WeakPolarHBondContact O-CG 3.35Å; V448-L452 PolarHBondContact O-N 3.18Å; R450-L452 VanDerWaalsContact C-N 3.29Å; R450-L452 PolarHBondContact O-N 2.89Å; L452-N455 PolarHBondContact O-N 2.89Å; L452-S456 VanDerWaalsContact O-CB 3.32Å; L452-S456 WeakPolarHBondContact O-CB 3.43Å; L452-S456 PolarHBondContact O-N 2.81Å; L452-S456 PolarHBondContact O-OG 2.75Å
453	I	46.2	Very low	41.1	Very low	91 Å²	91	115.6 Å²	115.6	47%	0.467	63%	0.633	S	S	.	*	H	α-helix	trans	-72.4	-31	178.2	-70.4	169.7	0	0	0	112.1	E449 R450 S456	E449-I453 HydrophobicContact CG-CD1 3.85Å; E449-I453 VanDerWaalsContact O-CB 3.3Å; E449-I453 WeakPolarHBondContact O-CB 3.48Å; E449-I453 WeakPolarHBondContact O-CG1 3.45Å; E449-I453 PolarHBondContact O-N 3.47Å; R450-I453 PolarHBondContact O-N 2.96Å; I453-S456 WeakPolarHBondContact CA-OG 3.47Å
454	M	40	Very low	40.1	Very low	143 Å²	143	115.3 Å²	115.3	70%	0.704	65%	0.648	S	S	*	*	H	α-helix	trans	-78.6	-17.9	173.8	-67.7	-70.2	103.6	0	0	113.3	R450	R450-M454 VanDerWaalsContact O-CB 3.31Å; R450-M454 WeakPolarHBondContact O-CB 3.46Å; R450-M454 VanDerWaalsContact O-CG 3.22Å; R450-M454 WeakPolarHBondContact O-CG 3.27Å; R450-M454 PolarHBondContact O-N 3.27Å
455	N	40.5	Very low	38.9	Very low	139 Å²	139	116.2 Å²	116.2	74%	0.743	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	14	176.2	-68.9	-54.5	0	0	0	113.8	D451 L452	D451-N455 VanDerWaalsContact O-CB 3.28Å; D451-N455 WeakPolarHBondContact O-CB 3.01Å; D451-N455 VanDerWaalsContact O-CG 3.3Å; D451-N455 PolarHBondContact O-N 3.03Å; D451-N455 VanDerWaalsContact O-N 3.1Å; D451-N455 PolarHBondContact O-ND2 3.2Å; L452-N455 PolarHBondContact O-N 2.89Å
456	S	38.2	Very low	37.7	Very low	89 Å²	89	116.6 Å²	116.6	62%	0.622	67%	0.674	S	S	*	*	S	Bend	trans	-126.5	20.4	-179.5	52.6	0	0	0	0	114.5	L452 I453	L452-S456 VanDerWaalsContact O-CB 3.32Å; L452-S456 WeakPolarHBondContact O-CB 3.43Å; L452-S456 PolarHBondContact O-N 2.81Å; L452-S456 PolarHBondContact O-OG 2.75Å; I453-S456 WeakPolarHBondContact CA-OG 3.47Å
457	V	36.3	Very low	37.2	Very low	106 Å²	106	120.6 Å²	120.6	64%	0.642	69%	0.694	S	S	*	*	S	Bend	trans	-120.4	137.4	170.3	-174.7	0	0	0	0	108.2
458	D	31.9	Very low	36.6	Very low	145 Å²	145	122.3 Å²	122.3	78%	0.775	71%	0.709	S	S	*	*	S	Bend	trans	78.2	66.1	-176.2	-57.8	-18.1	0	0	0	117.3
459	D	31.9	Very low	35.6	Very low	160 Å²	160	124.9 Å²	124.9	86%	0.856	73%	0.727	S	S	*	*				-171.1	120.2	121.6	-112.9	-25.9	0	0	0	114
460	S	34.5	Very low	34.9	Very low	125 Å²	125	126.2 Å²	126.2	87%	0.874	74%	0.743	S	S	*	*			trans	178.7	76.4	159.5	26.9	0	0	0	0	111.9
461	N	30.5	Very low	34.1	Very low	162 Å²	162	126.2 Å²	126.2	87%	0.866	75%	0.754	S	S	*	*			trans	-116.4	98.2	172.2	-113.7	-40.7	0	0	0	110.2
462	L	33.4	Very low	33.4	Very low	177 Å²	177	125.7 Å²	125.7	93%	0.927	76%	0.764	S	S	*	*			trans	-155.1	135.9	169.5	-148.3	77.3	0	0	0	113.6
463	G	31.5	Very low	32.5	Very low	70 Å²	70	124.8 Å²	124.8	72%	0.722	77%	0.766	S	S	*	*			trans	75.8	66.7	136.3	0	0	0	0	0	119.6	A465	G463-A465 PolarHBondContact O-N 2.7Å
464	S	30.4	Very low	31.5	Very low	128 Å²	128	130 Å²	130	90%	0.895	79%	0.785	S	S	*	*			trans	3.2	111.6	140.3	168.2	0	0	0	0	118.8
465	A	31.1	Very low	31	Very low	98 Å²	98	128.2 Å²	128.2	81%	0.81	79%	0.787	S	S	*	*			trans	-157.2	149.3	136.8	0	0	0	0	0	110.6	G463	G463-A465 PolarHBondContact O-N 2.7Å
466	C	26.4	Very low	30.5	Very low	121 Å²	121	125.7 Å²	125.7	82%	0.818	78%	0.78	S	S	*	*			trans	-94.1	146.1	176.5	-55.8	0	0	0	0	111.5
467	I	31.4	Very low	30.1	Very low	164 Å²	164	130 Å²	130	84%	0.841	79%	0.788	S	S	*	*			trans	-177	138.2	130.7	-94.5	151	0	0	0	109.2
468	P	30.2	Very low	29.8	Very low	100 Å²	100	131 Å²	131	65%	0.649	79%	0.79	S	S	*	*			trans	-81.1	162.5	-176.1	32.9	-36.4	0	0	0	114
469	P	27.5	Very low	29.8	Very low	132 Å²	132	130.5 Å²	130.5	86%	0.857	79%	0.792	S	S	*	*			trans	-79.2	142.9	-169.8	31.7	-36.4	0	0	0	114.1
470	V	30.5	Very low	29.9	Very low	134 Å²	134	130.1 Å²	130.1	81%	0.812	78%	0.784	S	S	*	*			trans	-137.7	148.5	172.5	-169.7	0	0	0	0	110.4
471	N	26.7	Very low	29.7	Very low	151 Å²	151	132.7 Å²	132.7	81%	0.807	78%	0.775	S	S	*	*			trans	-66.9	166.6	-166.5	-52.3	-47.4	0	0	0	116.7
472	A	27.5	Very low	29.8	Very low	91 Å²	91	130.2 Å²	130.2	75%	0.752	76%	0.762	S	S	*	*			trans	76.2	155.1	149.3	0	0	0	0	0	118.2
473	C	25.5	Very low	29.6	Very low	95 Å²	95	126.4 Å²	126.4	64%	0.642	75%	0.75	S	S	*	*			cis	-170	172.7	-23.2	-100.1	0	0	0	0	108.3
474	F	25.9	Very low	29.5	Very low	200 Å²	200	130 Å²	130	88%	0.877	75%	0.751	S	S	*	*			trans	68.1	163.6	165.3	-52.7	-63.8	0	0	0	115.2
475	S	28.9	Very low	29.3	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	75%	0.745	S	S	*	*			cis	-171.8	152	-14.7	38.6	0	0	0	0	107.6
476	S	30.4	Very low	29	Very low	86 Å²	86	132.4 Å²	132.4	60%	0.601	74%	0.742	S	S	*	*			cis	-165.6	-154.7	-13.2	-164.6	0	0	0	0	106.9
477	F	29.7	Very low	28.9	Very low	180 Å²	180	132.7 Å²	132.7	79%	0.789	74%	0.736	S	S	*	*			trans	83.3	96.9	163.2	-46.2	-62.6	0	0	0	115.7
478	D	30.4	Very low	28.6	Very low	128 Å²	128	131.9 Å²	131.9	68%	0.684	73%	0.729	S	S	*	*			cis	92.1	130	49.4	-76.3	-65.1	0	0	0	113.3
479	V	32.3	Very low	28.3	Very low	134 Å²	134	133.9 Å²	133.9	81%	0.812	73%	0.733	S	S	*	*				-168.9	107.6	118.8	147.6	0	0	0	0	108.4
480	H	33.6	Very low	28.1	Very low	151 Å²	151	131.7 Å²	131.7	70%	0.699	72%	0.721	S	S	*	*			trans	46	152.2	144.4	-82.1	-151.1	0	0	0	122.2
481	R	30	Very low	27.9	Very low	179 Å²	179	132.3 Å²	132.3	68%	0.675	71%	0.71	S	S	*	*			cis	-175.4	160.5	-19.1	-115.7	-173.2	-175.2	-113.2	7.6	105.3
482	D	33.9	Very low	28	Very low	111 Å²	111	129 Å²	129	59%	0.594	70%	0.698	S	S	*	*			cis	-127.8	144	2	-92.7	-65.9	0	0	0	108.6
483	S	27.6	Very low	28	Very low	97 Å²	97	128.2 Å²	128.2	68%	0.678	68%	0.684	S	S	*	*				71.9	132.6	68.5	-123.4	0	0	0	0	112.5
484	I	29	Very low	28.4	Very low	145 Å²	145	126 Å²	126	74%	0.744	67%	0.673	S	S	*	*			cis	-138.6	145.8	15.1	-68.1	174.5	0	0	0	111.9
485	Q	26.2	Very low	28.8	Very low	166 Å²	166	121.5 Å²	121.5	78%	0.776	65%	0.653	S	S	*	*			trans	-11.9	140.6	149.4	-74.4	158.6	-50	0	0	118.2
486	C	24.7	Very low	29.1	Very low	110 Å²	110	122.7 Å²	122.7	74%	0.743	64%	0.644	S	S	*	*				72.7	145.1	62.3	-163.1	0	0	0	0	113.7
487	N	24.9	Very low	29.4	Very low	127 Å²	127	128.7 Å²	128.7	68%	0.679	65%	0.654	S	S	*	*			trans	71.7	154.3	-157.8	-56.3	-52.6	0	0	0	112.6
488	Q	25.2	Very low	29.8	Very low	148 Å²	148	123.3 Å²	123.3	69%	0.692	63%	0.634	S	S	*	*			cis	-165.2	175.6	-14.8	-111.4	167.6	38.8	0	0	107.3
489	L	24.1	Very low	30.2	Very low	141 Å²	141	125.6 Å²	125.6	74%	0.738	64%	0.64	S	S	*	*			trans	55.2	103.7	156.7	-63.9	154.7	0	0	0	116.8
490	S	23.5	Very low	30.4	Very low	86 Å²	86	122.9 Å²	122.9	60%	0.601	63%	0.632	S	S	*	*				70.1	146	76.6	78.7	0	0	0	0	115.4
491	Y	25.8	Very low	30.6	Very low	148 Å²	148	120.4 Å²	120.4	58%	0.58	63%	0.631	S	S	*	*			trans	70.8	116.5	-163.3	-70.9	-107.3	0	0	0	111	E402 L403	E402-Y491 PolarHBondContact O-OH 3.01Å; E402-Y491 VanDerWaalsContact O-OH 3.07Å; L403-Y491 HydrophobicContact CB-CE1 3.86Å; L403-Y491 PolarHBondContact N-OH 2.92Å
492	S	28.4	Very low	30.8	Very low	82 Å²	82	119.5 Å²	119.5	57%	0.573	64%	0.635	S	S	*	*				72	148.8	66.3	-62.7	0	0	0	0	109.4	L403	L403-S492 WeakPolarHBondContact O-CB 3.49Å; L403-S492 PolarHBondContact O-OG 2.06Å
493	T	29.3	Very low	30.8	Very low	74 Å²	74	118.3 Å²	118.3	45%	0.454	64%	0.635	S	S	.	*				-155.2	163.2	55	61	0	0	0	0	113	T404 S405 E406	T404-T493 WeakPolarHBondContact O-CG2 3.37Å; S405-T493 WeakPolarHBondContact O-CB 3.33Å; S405-T493 PolarHBondContact O-OG1 3Å; E406-T493 PolarHBondContact N-OG1 2.9Å; E406-T493 PolarHBondContact O-OG1 2.92Å
494	A	33	Very low	31.1	Very low	48 Å²	48	121.9 Å²	121.9	40%	0.397	64%	0.641	S	S	.	*			trans	-76.4	-149.6	-159.7	0	0	0	0	0	115	E406	E406-A494 VanDerWaalsContact CA-O 3.27Å; E406-A494 WeakPolarHBondContact CA-O 3.49Å; E406-A494 PolarHBondContact N-O 2.84Å
495	K	34.3	Very low	31.3	Very low	106 Å²	106	121.4 Å²	121.4	46%	0.461	64%	0.639	S	S	.	*			cis	-174.3	-164	34.7	-144.9	179.1	-174.6	161.9	0	105.9	S405 E406	S405-K495 WeakPolarHBondContact OG-CD 3.29Å; S405-K495 WeakPolarHBondContact OG-CE 3.45Å; S405-K495 PolarHBondContact OG-NZ 3.15Å; E406-K495 HydrophobicContact CG-CB 3.88Å; E406-K495 HydrophobicContact CG-CD 3.89Å; E406-K495 WeakPolarHBondContact OE1-CD 3.37Å; E406-K495 WeakPolarHBondContact OE1-CE 3.42Å; E406-K495 IonicContact OE1-NZ 3.44Å; E406-K495 PolarHBondContact OE1-NZ 2.61Å
496	K	34.4	Very low	31.4	Very low	129 Å²	129	117.1 Å²	117.1	56%	0.561	63%	0.627	S	S	*	*			cis	-151.3	162.3	-0.1	-156	173.5	169.2	176.9	0	104.6	D498	K496-D498 WeakPolarHBondContact CE-OD1 3.35Å; K496-D498 VanDerWaalsContact CE-OD2 3.25Å; K496-D498 WeakPolarHBondContact CE-OD2 3.35Å; K496-D498 WeakPolarHBondContact CG-OD1 3.41Å; K496-D498 IonicContact NZ-OD2 2.7Å
497	R	36.8	Very low	31.8	Very low	213 Å²	213	117.6 Å²	117.6	80%	0.804	63%	0.627	S	S	*	*				176.4	172.8	58	-160.6	178.7	-176.3	-174.8	-4.8	109.7
498	D	38.5	Very low	32.3	Very low	67 Å²	67	117.9 Å²	117.9	36%	0.358	63%	0.628	S	S	.	*				-133.7	157.6	-75	-68.5	-32.8	0	0	0	106.8	K496	K496-D498 WeakPolarHBondContact CE-OD1 3.35Å; K496-D498 VanDerWaalsContact CE-OD2 3.25Å; K496-D498 WeakPolarHBondContact CE-OD2 3.35Å; K496-D498 WeakPolarHBondContact CG-OD1 3.41Å; K496-D498 IonicContact NZ-OD2 2.7Å
499	H	39.9	Very low	32.8	Very low	175 Å²	175	115.6 Å²	115.6	81%	0.81	63%	0.629	S	S	*	*			trans	73.3	149.9	157.1	-53.8	-44.5	0	0	0	121.9
500	A	36.6	Very low	33.4	Very low	78 Å²	78	116.6 Å²	116.6	65%	0.645	63%	0.63	S	S	*	*			cis	-171.6	163.4	-22.6	0	0	0	0	0	112.3
501	S	37.4	Very low	33.9	Very low	98 Å²	98	118.4 Å²	118.4	69%	0.685	63%	0.633	S	S	*	*			trans	64.9	146.3	146.2	-69.2	0	0	0	0	121.5
502	E	33.7	Very low	34.3	Very low	161 Å²	161	116.7 Å²	116.7	75%	0.752	64%	0.643	S	S	*	*			cis	-163.3	161.7	-15.1	-127.2	163.3	123	0	0	114.2
503	S	34	Very low	34.5	Very low	86 Å²	86	118.7 Å²	118.7	60%	0.601	65%	0.651	S	S	*	*			trans	46.4	117.7	144.7	75.2	0	0	0	0	122.6
504	Q	34.3	Very low	34.7	Very low	172 Å²	172	122.4 Å²	122.4	80%	0.804	67%	0.667	S	S	*	*				88	151.9	92.7	-73.4	-168.1	21.5	0	0	114.8
505	L	31.5	Very low	34.5	Very low	134 Å²	134	126.7 Å²	126.7	70%	0.702	68%	0.683	S	S	*	*			cis	-152.7	166.3	-6	-151	67.8	0	0	0	111.9
506	S	30.2	Very low	34.5	Very low	76 Å²	76	127.9 Å²	127.9	53%	0.531	70%	0.699	S	S	.	*			trans	35.7	116.8	144.3	58.4	0	0	0	0	121.7
507	T	32	Very low	34.3	Very low	121 Å²	121	127 Å²	127	74%	0.742	71%	0.709	S	S	*	*				75.9	163.7	89	79.9	0	0	0	0	114
508	D	36.2	Very low	34.4	Very low	132 Å²	132	122.3 Å²	122.3	71%	0.706	71%	0.706	S	S	*	*			cis	-149.5	170.5	12.1	-103.3	-54.3	0	0	0	111.1
509	S	35.9	Very low	34	Very low	101 Å²	101	124.6 Å²	124.6	71%	0.706	73%	0.728	S	S	*	*			trans	47.5	151.1	142.2	72.8	0	0	0	0	122.8
510	E	35.7	Very low	33.7	Very low	161 Å²	161	120.5 Å²	120.5	75%	0.752	72%	0.724	S	S	*	*			cis	-170.4	164.4	-11	-114	-165.4	153	0	0	111.2
511	N	34.4	Very low	33.5	Very low	124 Å²	124	122.4 Å²	122.4	66%	0.663	73%	0.733	S	S	*	*			trans	60.3	142.5	142.9	-71.9	-36.8	0	0	0	125.4
512	S	34.7	Very low	33.5	Very low	113 Å²	113	122.6 Å²	122.6	79%	0.79	73%	0.734	S	S	*	*			trans	77.7	153.8	149	75.7	0	0	0	0	120.1
513	V	30.8	Very low	33.6	Very low	123 Å²	123	122.5 Å²	122.5	75%	0.745	73%	0.733	S	S	*	*			cis	-179.6	155.7	-46.3	136.1	0	0	0	0	107
514	L	33.6	Very low	33.7	Very low	152 Å²	152	123.7 Å²	123.7	80%	0.796	74%	0.739	S	S	*	*			trans	73.6	160.4	-177	-43.3	-177.1	0	0	0	115.3
515	L	29.5	Very low	33.9	Very low	139 Å²	139	121.1 Å²	121.1	73%	0.728	74%	0.735	S	S	*	*			cis	-163.5	-179.6	-27.5	-108	175.2	0	0	0	109.2
516	T	33.8	Very low	34.2	Very low	131 Å²	131	119.4 Å²	119.4	80%	0.804	73%	0.732	S	S	*	*			trans	68.8	126.8	155.7	43.4	0	0	0	0	121.8
517	S	30.8	Very low	34.5	Very low	109 Å²	109	126.2 Å²	126.2	76%	0.762	75%	0.746	S	S	*	*			trans	-81.4	-171.1	155.9	-35.9	0	0	0	0	110.6
518	P	38.4	Very low	34.7	Very low	115 Å²	115	127.9 Å²	127.9	75%	0.747	75%	0.749	S	S	*	*			cis	-141.2	-175.5	-0.2	43.2	-23.6	0	0	0	116.8
519	S	29.9	Very low	34.8	Very low	116 Å²	116	126.1 Å²	126.1	81%	0.811	75%	0.748	S	S	*	*			trans	27.9	131.2	145.9	-55.7	0	0	0	0	123.9
520	A	34.7	Very low	34.7	Very low	88 Å²	88	132 Å²	132	73%	0.727	75%	0.754	S	S	*	*				163.4	146.8	106.7	0	0	0	0	0	116.5
521	S	32.5	Very low	34.7	Very low	119 Å²	119	135 Å²	135	83%	0.832	76%	0.759	S	S	*	*			trans	59.6	157.3	160.5	49.5	0	0	0	0	119.4
522	S	36.8	Very low	34.8	Very low	102 Å²	102	139.5 Å²	139.5	71%	0.713	77%	0.766	S	S	*	*			cis	-159.2	134.1	-8.3	38.6	0	0	0	0	108.2
523	Q	35.1	Very low	34.5	Very low	158 Å²	158	141.4 Å²	141.4	74%	0.738	77%	0.768	S	S	*	*				55.6	148.5	88.4	-68.1	-69.4	-3.2	0	0	116.5
524	P	36.6	Very low	34.6	Very low	111 Å²	111	140.4 Å²	140.4	72%	0.721	77%	0.772	S	S	*	*			cis	-141.7	158.8	-0.7	38.1	-17.4	0	0	0	121.2
525	V	38.1	Very low	34.4	Very low	119 Å²	119	139.2 Å²	139.2	72%	0.721	77%	0.771	S	S	*	*			trans	-15.9	137.7	139.6	-171	0	0	0	0	116.5
526	P	38.6	Very low	34.6	Very low	97 Å²	97	138.3 Å²	138.3	63%	0.63	78%	0.777	S	S	*	*				-163	-179	72.5	38.3	-12.9	0	0	0	122
527	R	36.4	Very low	34.3	Very low	219 Å²	219	136 Å²	136	83%	0.826	77%	0.771	S	S	*	*			trans	93.2	132.9	157.4	-51.9	-168	177.3	107.7	0.3	118.9
528	L	36.7	Very low	34.1	Very low	156 Å²	156	136.2 Å²	136.2	82%	0.817	77%	0.773	S	S	*	*			cis	-162.4	-177.8	-9.1	-137.2	66.6	0	0	0	106.7
529	S	36.9	Very low	33.7	Very low	96 Å²	96	136.6 Å²	136.6	67%	0.671	77%	0.772	S	S	*	*			cis	-161	-155.1	5.6	47.7	0	0	0	0	107.9
530	R	35.5	Very low	33.6	Very low	223 Å²	223	142.8 Å²	142.8	84%	0.842	78%	0.778	S	S	*	*			cis	-160.6	52.7	6.1	-149.6	-178.1	-175.8	-157.7	1.2	116.3
531	R	34.8	Very low	33.2	Very low	224 Å²	224	144.1 Å²	144.1	85%	0.845	78%	0.779	S	S	*	*			trans	89.1	158.9	170.2	-52.7	173.8	169.2	-111.9	1.2	116.5
532	R	36.1	Very low	32.9	Very low	219 Å²	219	144.1 Å²	144.1	83%	0.826	78%	0.779	S	S	*	*			cis	-147.7	142.3	18.9	-156.2	-178.2	-104.9	131.6	-11.5	112.3
533	N	28.4	Very low	32.7	Very low	154 Å²	154	144.1 Å²	144.1	82%	0.824	78%	0.78	S	S	*	*			trans	-115.9	155.1	179.8	-75.3	5.2	0	0	0	113
534	A	33.9	Very low	32.3	Very low	101 Å²	101	146.3 Å²	146.3	84%	0.835	79%	0.787	S	S	*	*			trans	-170.5	132.3	143	0	0	0	0	0	107.3
535	T	29.2	Very low	31.9	Very low	127 Å²	127	149.5 Å²	149.5	78%	0.779	79%	0.792	S	S	*	*			cis	94.6	71.5	10.3	-40.4	0	0	0	0	116.9
536	S	33.5	Very low	31.5	Very low	121 Å²	121	150 Å²	150	85%	0.846	79%	0.79	S	S	*	*			trans	-177.1	165.4	146	51.4	0	0	0	0	108.1
537	A	28.1	Very low	30.9	Very low	82 Å²	82	153.3 Å²	153.3	68%	0.678	80%	0.803	S	S	*	*			cis	172.8	137.3	-38.7	0	0	0	0	0	105.9
538	S	27	Very low	30.7	Very low	114 Å²	114	146.4 Å²	146.4	80%	0.797	80%	0.8	S	S	*	*			trans	73.7	157.5	157.3	81.4	0	0	0	0	121.5
539	V	29.7	Very low	30.8	Very low	122 Å²	122	144 Å²	144	74%	0.739	79%	0.792	S	S	*	*			trans	67.7	120.7	160.4	-174.7	0	0	0	0	119.3
540	W	27	Very low	31	Very low	247 Å²	247	144 Å²	144	94%	0.936	79%	0.789	S	S	*	*			trans	-79.4	134.7	156.1	-71.1	35.4	0	0	0	110
541	P	26.5	Very low	31.8	Very low	115 Å²	115	141 Å²	141	75%	0.747	78%	0.783	S	S	*	*			trans	-100.6	113.6	157.5	-1.4	21.9	0	0	0	110.2	S543	P541-S543 PolarHBondContact O-N 3.12Å
542	S	26.6	Very low	32.7	Very low	119 Å²	119	135.7 Å²	135.7	83%	0.832	77%	0.766	S	S	*	*			trans	-80.8	104.1	165	52.8	0	0	0	0	109.9
543	S	31.5	Very low	33.6	Very low	103 Å²	103	128.3 Å²	128.3	72%	0.72	74%	0.743	S	S	*	*			trans	-150.6	117.9	166	60.9	0	0	0	0	111.7	P541	P541-S543 PolarHBondContact O-N 3.12Å
544	F	27.1	Very low	34.7	Very low	204 Å²	204	133.1 Å²	133.1	90%	0.895	75%	0.75	S	S	*	*			trans	-66.7	126.4	159.8	-65.3	-102.2	0	0	0	108.3
545	H	29.1	Very low	35.3	Very low	177 Å²	177	139.3 Å²	139.3	82%	0.819	75%	0.751	S	S	*	*			trans	-161.9	153.1	143.7	-113.7	-75.6	0	0	0	112.2
546	N	28.1	Very low	36.8	Very low	130 Å²	130	137.2 Å²	137.2	70%	0.695	74%	0.738	S	S	*	*			trans	-66.2	-172.9	-161.7	-55.7	-26.4	0	0	0	117.5
547	D	27.5	Very low	37.9	Very low	166 Å²	166	134 Å²	134	89%	0.888	72%	0.724	S	S	*	*			trans	82.3	45	156.3	-52.2	-29	0	0	0	118.2
548	G	31	Very low	39.4	Very low	74 Å²	74	134.3 Å²	134.3	76%	0.763	71%	0.714	S	S	*	*			trans	-110.3	112.7	158.1	0	0	0	0	0	111.7
549	T	40.2	Very low	41	Very low	106 Å²	106	132 Å²	132	65%	0.65	70%	0.696	S	S	*	*			trans	-68.6	138.2	-178.8	45.4	0	0	0	0	112.3	F551	T549-F551 WeakPolarHBondContact O-CD2 3.39Å; T549-F551 PolarHBondContact O-N 3.18Å; T549-F551 VanDerWaalsContact O-N 3.11Å
550	P	41.2	Very low	42	Very low	95 Å²	95	132.1 Å²	132.1	62%	0.617	69%	0.692	S	S	*	*			trans	-68.8	110.5	178.3	26.3	-33.7	0	0	0	111	F552	P550-F552 HydrophobicContact CB-CD2 4.35Å; P550-F552 HydrophobicContact CB-CE2 3.8Å; P550-F552 HydrophobicContact CB-CZ 4.19Å; P550-F552 HydrophobicContact CG-CD2 4.42Å; P550-F552 HydrophobicContact CG-CE2 3.7Å; P550-F552 HydrophobicContact CG-CZ 4.35Å; P550-F552 VanDerWaalsContact O-CD2 3.24Å; P550-F552 WeakPolarHBondContact O-CD2 3.35Å; P550-F552 PolarHBondContact O-N 2.93Å
551	F	50.6	Low	43.2	Very low	160 Å²	160	129.4 Å²	129.4	70%	0.702	69%	0.69	S	S	*	*			trans	-74.3	93.7	176.9	-72.7	-91.1	0	0	0	111	T549 L560	T549-F551 WeakPolarHBondContact O-CD2 3.39Å; T549-F551 PolarHBondContact O-N 3.18Å; T549-F551 VanDerWaalsContact O-N 3.11Å; F551-L560 HydrophobicContact CB-CD1 3.79Å; F551-L560 WeakPolarHBondContact O-CG 3.35Å
552	F	55	Low	43.7	Very low	114 Å²	114	126.6 Å²	126.6	50%	0.5	67%	0.673	S	S	.	*	B	Isolated β-bridge	trans	-80.1	145	169.3	-64.4	-79.8	0	0	0	111.8	P550 R554 G557 P559	P550-F552 HydrophobicContact CB-CD2 4.35Å; P550-F552 HydrophobicContact CB-CE2 3.8Å; P550-F552 HydrophobicContact CB-CZ 4.19Å; P550-F552 HydrophobicContact CG-CD2 4.42Å; P550-F552 HydrophobicContact CG-CE2 3.7Å; P550-F552 HydrophobicContact CG-CZ 4.35Å; P550-F552 VanDerWaalsContact O-CD2 3.24Å; P550-F552 WeakPolarHBondContact O-CD2 3.35Å; P550-F552 PolarHBondContact O-N 2.93Å; F552-R554 PolarHBondContact O-N 2.74Å; F552-R554 VanDerWaalsContact O-N 3.09Å; F552-G557 VanDerWaalsContact CD1-O 3.31Å; F552-G557 WeakPolarHBondContact CD1-O 3.27Å; F552-P559 HydrophobicContact CD1-CG 4.45Å; F552-P559 HydrophobicContact CE1-CG 4.23Å
553	N	53.7	Low	44.1	Very low	63 Å²	63	125.2 Å²	125.2	34%	0.337	66%	0.663	S	S	.	*			trans	-66.5	107.7	165.5	179.4	-27.2	0	0	0	109.3	R555 T556 G557 L558 L560	N553-R555 PolarHBondContact O-N 3.38Å; N553-R555 WeakPolarHBondContact OD1-CB 3.43Å; N553-R555 PolarHBondContact OD1-N 2.71Å; N553-T556 WeakPolarHBondContact CB-OG1 3.3Å; N553-T556 PolarHBondContact O-N 2.91Å; N553-G557 PolarHBondContact O-N 3.03Å; N553-L558 PolarHBondContact N-O 2.78Å; N553-L560 HydrophobicContact CB-CD2 4.21Å
554	R	52.3	Low	44.4	Very low	256 Å²	256	126.2 Å²	126.2	97%	0.966	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	-16	-177.8	-63.1	-170.8	-175.9	-151.2	3.1	114.8	F552	F552-R554 PolarHBondContact O-N 2.74Å; F552-R554 VanDerWaalsContact O-N 3.09Å
555	R	47	Very low	45.1	Very low	231 Å²	231	122 Å²	122	87%	0.872	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-15.3	-177.6	-149.4	178.5	-166	175.5	5.5	113.8	N553	N553-R555 PolarHBondContact O-N 3.38Å; N553-R555 WeakPolarHBondContact OD1-CB 3.43Å; N553-R555 PolarHBondContact OD1-N 2.71Å
556	T	60.7	Low	45.4	Very low	82 Å²	82	119 Å²	119	50%	0.503	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130.2	-14.5	-177.5	60.5	0	0	0	0	114.4	N553 L558	N553-T556 WeakPolarHBondContact CB-OG1 3.3Å; N553-T556 PolarHBondContact O-N 2.91Å; T556-L558 PolarHBondContact O-N 2.93Å; T556-L558 PolarHBondContact OG1-N 3.15Å
557	G	56	Low	46.1	Very low	53 Å²	53	119.8 Å²	119.8	55%	0.546	66%	0.658	S	S	.	*			trans	72.5	2.7	-174	0	0	0	0	0	114.2	F552 N553	F552-G557 VanDerWaalsContact CD1-O 3.31Å; F552-G557 WeakPolarHBondContact CD1-O 3.27Å; N553-G557 PolarHBondContact O-N 3.03Å
558	L	60.7	Low	46.4	Very low	90 Å²	90	121.8 Å²	121.8	47%	0.471	66%	0.658	S	S	.	*			trans	-87.5	145.9	-176.7	-67.1	175.3	0	0	0	111.8	N553 T556	N553-L558 PolarHBondContact N-O 2.78Å; T556-L558 PolarHBondContact O-N 2.93Å; T556-L558 PolarHBondContact OG1-N 3.15Å
559	P	59.9	Low	46.5	Very low	65 Å²	65	128.2 Å²	128.2	42%	0.422	66%	0.66	S	S	.	*	B	Isolated β-bridge	trans	-56.1	143.3	166.4	-22.5	32.7	0	0	0	111.2	F552 Q561 S562	F552-P559 HydrophobicContact CD1-CG 4.45Å; F552-P559 HydrophobicContact CE1-CG 4.23Å; P559-Q561 PolarHBondContact O-N 3.47Å; P559-S562 PolarHBondContact O-N 3.33Å; P559-S562 PolarHBondContact O-OG 2.84Å
560	L	51.3	Low	46.6	Very low	125 Å²	125	127.4 Å²	127.4	65%	0.654	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-10.2	178.9	-71.5	170.2	0	0	0	114.6	F551 N553	F551-L560 HydrophobicContact CB-CD1 3.79Å; F551-L560 WeakPolarHBondContact O-CG 3.35Å; N553-L560 HydrophobicContact CB-CD2 4.21Å
561	Q	50.9	Low	47	Very low	190 Å²	190	130.3 Å²	130.3	89%	0.888	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-3.1	176.8	-66.9	177	-45.5	0	0	114.1	P559 S563	P559-Q561 PolarHBondContact O-N 3.47Å; Q561-S563 PolarHBondContact O-N 2.88Å
562	S	37.8	Very low	46.5	Very low	56 Å²	56	126 Å²	126	39%	0.392	67%	0.665	S	S	.	*			trans	-85.4	33.4	-173.9	83.5	0	0	0	0	114.5	P559	P559-S562 PolarHBondContact O-N 3.33Å; P559-S562 PolarHBondContact O-OG 2.84Å
563	S	35.5	Very low	45.5	Very low	89 Å²	89	124.9 Å²	124.9	62%	0.622	68%	0.684	S	S	*	*			trans	-109	104.8	170.1	-174.2	0	0	0	0	108.4	Q561 V565	Q561-S563 PolarHBondContact O-N 2.88Å; S563-V565 PolarHBondContact O-N 2.88Å
564	P	37.2	Very low	44.6	Very low	125 Å²	125	130.6 Å²	130.6	81%	0.812	71%	0.706	S	S	*	*			trans	-76.8	75.1	-178.1	32.1	-35	0	0	0	110.7	P566	P564-P566 WeakPolarHBondContact O-CD 3.42Å
565	V	41.5	Very low	43.6	Very low	114 Å²	114	126.9 Å²	126.9	69%	0.691	70%	0.698	S	S	*	*			trans	-84.4	109.2	155.7	177.2	0	0	0	0	106.3	S563 L567	S563-V565 PolarHBondContact O-N 2.88Å; V565-L567 PolarHBondContact O-N 2.87Å
566	P	36.1	Very low	42.9	Very low	114 Å²	114	124.2 Å²	124.2	74%	0.74	70%	0.701	S	S	*	*			trans	-61.5	138	-179.3	-22.2	34.7	0	0	0	110.7	P564 K568	P564-P566 WeakPolarHBondContact O-CD 3.42Å; P566-K568 PolarHBondContact O-N 2.83Å; P566-K568 VanDerWaalsContact O-N 3.09Å
567	L	41.9	Very low	41.6	Very low	148 Å²	148	124.7 Å²	124.7	78%	0.775	70%	0.696	S	S	*	*			trans	-61.6	117.9	178	-89.7	81.2	0	0	0	110.2	V565 R569	V565-L567 PolarHBondContact O-N 2.87Å; L567-R569 PolarHBondContact O-N 2.93Å
568	K	34.3	Very low	40.7	Very low	208 Å²	208	125.4 Å²	125.4	90%	0.904	69%	0.687	S	S	*	*			trans	-57	92.4	175.6	-174	179.8	-179.3	-179.9	0	111.1	P566	P566-K568 PolarHBondContact O-N 2.83Å; P566-K568 VanDerWaalsContact O-N 3.09Å
569	R	32.9	Very low	39.6	Very low	208 Å²	208	126.6 Å²	126.6	79%	0.785	69%	0.693	S	S	*	*			trans	-116.6	153.7	171.8	-83.7	-171.1	-82.5	-171.1	-5.6	110.2	L567	L567-R569 PolarHBondContact O-N 2.93Å
570	S	42.3	Very low	38.8	Very low	89 Å²	89	124.4 Å²	124.4	62%	0.622	68%	0.68	S	S	*	*	S	Bend	trans	70.5	153.3	-164.7	85.9	0	0	0	0	114.8	S572	S570-S572 PolarHBondContact OG-OG 2.91Å
571	T	50.2	Low	38.2	Very low	156 Å²	156	119.4 Å²	119.4	96%	0.957	65%	0.654	S	S	*	*	S	Bend	trans	-93.6	-2.6	-174.7	37.9	0	0	0	0	113.9
572	S	39.2	Very low	37.5	Very low	71 Å²	71	114.9 Å²	114.9	50%	0.497	64%	0.636	S	S	.	*	S	Bend	trans	-82.5	120	170.6	47.5	0	0	0	0	110.8	S570 K574	S570-S572 PolarHBondContact OG-OG 2.91Å; S572-K574 PolarHBondContact O-N 2.79Å
573	G	34.3	Very low	37.6	Very low	89 Å²	89	119.9 Å²	119.9	92%	0.918	65%	0.646	S	S	*	*			trans	-73.4	49.3	176.7	0	0	0	0	0	114.4
574	K	34.7	Very low	37.7	Very low	183 Å²	183	119.1 Å²	119.1	80%	0.796	63%	0.633	S	S	*	*			trans	-113.8	144.8	177	-69.7	-178	177.4	178.3	0	109.9	S572	S572-K574 PolarHBondContact O-N 2.79Å
575	F	30.5	Very low	37.7	Very low	178 Å²	178	119.8 Å²	119.8	78%	0.781	62%	0.624	S	S	*	*			trans	-88.5	142.9	164.3	-61.1	-89.3	0	0	0	108.6	F577	F575-F577 WeakPolarHBondContact O-CD2 3.14Å; F575-F577 PolarHBondContact O-N 2.91Å; F575-F577 VanDerWaalsContact O-N 3.16Å
576	D	33.7	Very low	37	Very low	175 Å²	175	119.2 Å²	119.2	94%	0.936	62%	0.62	S	S	*	*			trans	-71.5	106.6	167.1	-69.9	-45.8	0	0	0	108.7
577	F	33.2	Very low	36.8	Very low	92 Å²	92	118.5 Å²	118.5	40%	0.404	62%	0.618	S	S	.	*			trans	-73.2	145.1	173.2	-70.1	-88	0	0	0	110.3	F575 L579 L581	F575-F577 WeakPolarHBondContact O-CD2 3.14Å; F575-F577 PolarHBondContact O-N 2.91Å; F575-F577 VanDerWaalsContact O-N 3.16Å; F577-L579 PolarHBondContact O-N 2.79Å; F577-L581 HydrophobicContact CB-CD1 4.49Å; F577-L581 HydrophobicContact CD1-CD1 3.99Å
578	D	36.2	Very low	36.4	Very low	68 Å²	68	122.7 Å²	122.7	36%	0.364	62%	0.623	S	S	.	*			trans	-49.1	132.6	165.6	172.3	9.8	0	0	0	110.1	S580 L581	D578-S580 PolarHBondContact O-N 3.45Å; D578-S580 PolarHBondContact OD1-N 2.87Å; D578-S580 PolarHBondContact OD1-OG 3.28Å; D578-S580 WeakPolarHBondContact OD2-CB 3.49Å; D578-S580 PolarHBondContact OD2-OG 3.49Å; D578-L581 HydrophobicContact CB-CG 4.42Å; D578-L581 WeakPolarHBondContact O-CB 3.41Å; D578-L581 PolarHBondContact O-N 3.19Å
579	L	37.6	Very low	36.4	Very low	115 Å²	115	113.9 Å²	113.9	60%	0.602	59%	0.588	S	S	*	*	H	α-helix	trans	-58.1	-21.1	-179.7	-68.8	169.7	0	0	0	112.8	F577 L581	F577-L579 PolarHBondContact O-N 2.79Å; L579-L581 PolarHBondContact O-N 2.97Å
580	S	42.8	Very low	36.3	Very low	20 Å²	20	105.6 Å²	105.6	14%	0.14	56%	0.562	C	S	.	*	H	α-helix	trans	-58.8	-30.2	169.8	75.6	0	0	0	0	113.4	D578	D578-S580 PolarHBondContact O-N 3.45Å; D578-S580 PolarHBondContact OD1-N 2.87Å; D578-S580 PolarHBondContact OD1-OG 3.28Å; D578-S580 WeakPolarHBondContact OD2-CB 3.49Å; D578-S580 PolarHBondContact OD2-OG 3.49Å
581	L	38.8	Very low	36.2	Very low	20 Å²	20	105 Å²	105	11%	0.105	55%	0.551	C	S	.	*	H	α-helix	trans	-86.3	-27	-173.6	-56.8	-177	0	0	0	113.3	F577 D578 L579 R583 M584 L748	F577-L581 HydrophobicContact CB-CD1 4.49Å; F577-L581 HydrophobicContact CD1-CD1 3.99Å; D578-L581 HydrophobicContact CB-CG 4.42Å; D578-L581 WeakPolarHBondContact O-CB 3.41Å; D578-L581 PolarHBondContact O-N 3.19Å; L579-L581 PolarHBondContact O-N 2.97Å; L581-R583 PolarHBondContact O-N 2.92Å; L581-M584 HydrophobicContact CD2-CE 3.62Å; L581-L748 HydrophobicContact CD1-CB 3.99Å; L581-L748 HydrophobicContact CD1-CD1 4.3Å; L581-L748 HydrophobicContact CD2-CD1 3.68Å
582	N	37.1	Very low	35.8	Very low	95 Å²	95	98.1 Å²	98.1	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-76.3	-19.1	-174.1	-74.3	-31.3	0	0	0	114
583	R	40.1	Very low	36.6	Very low	161 Å²	161	96.1 Å²	96.1	61%	0.608	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-83.1	-15.5	177.9	-69.7	-166.6	-178.2	-135.4	6.5	114.7	L581 K585	L581-R583 PolarHBondContact O-N 2.92Å; R583-K585 PolarHBondContact O-N 2.89Å
584	M	38.4	Very low	37.5	Very low	72 Å²	72	93.5 Å²	93.5	36%	0.355	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-73.6	-3.1	-176.7	-75.7	-172.9	-81.3	0	0	115	L581 F752	L581-M584 HydrophobicContact CD2-CE 3.62Å; M584-F752 HydrophobicContact CE-CB 4.27Å
585	K	35.7	Very low	38.3	Very low	140 Å²	140	86 Å²	86	61%	0.609	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-104.7	3.6	-175.7	-65	-170.7	179.4	-176.8	0	114.8	R583 S744 S745	R583-K585 PolarHBondContact O-N 2.89Å; K585-S744 PolarHBondContact NZ-OG 2.71Å; K585-S745 PolarHBondContact NZ-OG 3.04Å
586	T	27.7	Very low	39.2	Very low	102 Å²	102	80.7 Å²	80.7	63%	0.626	41%	0.405	S	S	*	.	S	Bend	trans	-144.4	134.1	180	45.6	0	0	0	0	113
587	S	32.1	Very low	39.7	Very low	98 Å²	98	75.3 Å²	75.3	69%	0.685	37%	0.374	S	S	*	.	S	Bend	trans	60.3	108.4	174.3	67.8	0	0	0	0	117.8	S589	S587-S589 WeakPolarHBondContact O-CB 3.29Å; S587-S589 PolarHBondContact O-N 3.46Å; S587-S589 PolarHBondContact O-OG 3.25Å
588	R	33.4	Very low	39.8	Very low	236 Å²	236	74.9 Å²	74.9	89%	0.891	38%	0.376	S	S	*	.	S	Bend	trans	47.1	-0.4	149.9	-56	-179.4	101.1	143.9	1.5	120.1
589	S	33.3	Very low	39.9	Very low	23 Å²	23	77.2 Å²	77.2	16%	0.161	39%	0.388	C	S	.	.			trans	-104.5	4.8	-169.3	65.4	0	0	0	0	114.1	S587 I591 C592	S587-S589 WeakPolarHBondContact O-CB 3.29Å; S587-S589 PolarHBondContact O-N 3.46Å; S587-S589 PolarHBondContact O-OG 3.25Å; S589-I591 PolarHBondContact O-N 2.93Å; S589-C592 CarbonylContact O-C 3.56Å; S589-C592 PolarHBondContact O-N 2.87Å
590	S	32.2	Very low	39.8	Very low	34 Å²	34	75.9 Å²	75.9	24%	0.238	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.7	169.4	37.6	0	0	0	0	113.1	S797 A801	S590-S797 WeakPolarHBondContact CB-OG 3.31Å; S590-A801 WeakPolarHBondContact OG-CB 3.32Å
591	I	39.2	Very low	39.1	Very low	76 Å²	76	81.3 Å²	81.3	39%	0.39	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-26.1	169	-64.8	174.3	0	0	0	112.2	S589 A801 P802 F1061	S589-I591 PolarHBondContact O-N 2.93Å; I591-A801 HydrophobicContact CG1-CB 4.21Å; I591-P802 HydrophobicContact CG1-CG 4.33Å; I591-F1061 HydrophobicContact CG2-CD2 3.79Å; I591-F1061 HydrophobicContact CG2-CE2 4.09Å
592	C	42	Very low	38.6	Very low	13 Å²	13	85 Å²	85	9%	0.088	43%	0.434	C	S	.	.	S	Bend	trans	-132.8	109	-170.2	50.6	0	0	0	0	112	S589 V594 Y1029 F1061	S589-C592 CarbonylContact O-C 3.56Å; S589-C592 PolarHBondContact O-N 2.87Å; C592-V594 PolarHBondContact O-N 2.94Å; C592-Y1029 HydrophobicContact CB-CD1 3.51Å; C592-Y1029 HydrophobicContact CB-CE1 4Å; C592-Y1029 HydrophobicContact CB-CG 3.92Å; C592-Y1029 WeakPolarHBondContact O-CD1 3.29Å; C592-Y1029 VanDerWaalsContact SG-CD1 3.54Å; C592-Y1029 WeakPolarHBondContact SG-CE1 3.29Å; C592-F1061 HydrophobicContact CB-CE2 4.27Å; C592-F1061 HydrophobicContact CB-CZ 4.34Å
593	M	56	Low	38.3	Very low	28 Å²	28	84.8 Å²	84.8	14%	0.138	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	100.1	-177.8	-71.8	-179.6	-73.7	0	0	111.8	Y595 F752 P804 Y1029 L1030 I1055	M593-Y595 PolarHBondContact O-N 3.36Å; M593-Y595 VanDerWaalsContact O-N 3.09Å; M593-F752 HydrophobicContact CG-CE1 4.05Å; M593-F752 HydrophobicContact SD-CD1 4.39Å; M593-F752 HydrophobicContact SD-CE1 3.84Å; M593-P804 HydrophobicContact CE-CB 4.05Å; M593-P804 HydrophobicContact CE-CG 4.15Å; M593-P804 HydrophobicContact CG-CG 4.13Å; M593-P804 HydrophobicContact SD-CB 4.28Å; M593-P804 HydrophobicContact SD-CG 3.72Å; M593-Y1029 CarbonylContact O-C 3.56Å; M593-Y1029 VanDerWaalsContact O-CA 3.31Å; M593-Y1029 WeakPolarHBondContact O-CA 3.33Å; M593-L1030 HydrophobicContact CB-CB 3.98Å; M593-L1030 HydrophobicContact CE-CB 4.02Å; M593-L1030 HydrophobicContact CE-CD2 3.76Å; M593-L1030 HydrophobicContact CE-CG 3.78Å; M593-L1030 WeakPolarHBondContact CE-O 3.29Å; M593-L1030 PolarHBondContact O-N 3.28Å; M593-L1030 HydrophobicContact SD-CD2 3.99Å; M593-I1055 HydrophobicContact CE-CG2 3.68Å; M593-I1055 HydrophobicContact SD-CG2 4.02Å
594	V	53.7	Low	37.7	Very low	34 Å²	34	83.9 Å²	83.9	21%	0.206	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	114.2	178.3	172.8	0	0	0	0	110.4	C592 P1027 A1028 Y1029	C592-V594 PolarHBondContact O-N 2.94Å; V594-P1027 HydrophobicContact CG1-CB 3.92Å; V594-P1027 HydrophobicContact CG2-CB 4.48Å; V594-A1028 CarbonylContact C-O 3.57Å; V594-A1028 WeakPolarHBondContact CA-O 3.5Å; V594-Y1029 HydrophobicContact CG2-CD1 3.96Å; V594-Y1029 HydrophobicContact CG2-CE1 3.65Å
595	Y	50.3	Low	37.2	Very low	25 Å²	25	87.3 Å²	87.3	10%	0.098	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.7	176.2	-173.7	-99.2	0	0	0	109.8	M593 H597 E753 R863 V865 A1028	M593-Y595 PolarHBondContact O-N 3.36Å; M593-Y595 VanDerWaalsContact O-N 3.09Å; Y595-H597 HydrophobicContact CE1-CB 4.45Å; Y595-E753 VanDerWaalsContact CD2-OE1 3.3Å; Y595-E753 WeakPolarHBondContact CD2-OE1 3.1Å; Y595-E753 WeakPolarHBondContact CE2-OE1 3.45Å; Y595-R863 PolarHBondContact OH-NH1 2.81Å; Y595-R863 VanDerWaalsContact OH-NH1 3.14Å; Y595-V865 HydrophobicContact CD1-CG1 4.23Å; Y595-V865 HydrophobicContact CG-CG1 4.3Å; Y595-A1028 HydrophobicContact CD1-CB 4.35Å; Y595-A1028 PolarHBondContact N-O 3.19Å
596	N	49.1	Very low	36.8	Very low	68 Å²	68	87.7 Å²	87.7	36%	0.364	47%	0.474	S	S	.	.			trans	-106.8	98.6	-177.5	-159.1	7.4	0	0	0	109.6	N598	N596-N598 VanDerWaalsContact C-N 3.25Å; N596-N598 PolarHBondContact O-N 2.9Å
597	H	45.5	Very low	37	Very low	62 Å²	62	89.5 Å²	89.5	29%	0.287	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-65.3	-24.6	-170.2	-176.4	-101.7	0	0	0	114.1	Y595 L599 Q600 M867	Y595-H597 HydrophobicContact CE1-CB 4.45Å; H597-L599 PolarHBondContact O-N 2.96Å; H597-Q600 PolarHBondContact O-N 2.87Å; H597-M867 HydrophobicContact CB-CE 3.96Å; H597-M867 WeakPolarHBondContact CD2-CE 3.32Å
598	N	35.6	Very low	36.8	Very low	82 Å²	82	90.7 Å²	90.7	44%	0.439	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-76.5	19.2	-167.3	-70.2	-37.4	0	0	0	115.9	N596 E1025	N596-N598 VanDerWaalsContact C-N 3.25Å; N596-N598 PolarHBondContact O-N 2.9Å; N598-E1025 PolarHBondContact ND2-OE2 2.82Å
599	L	36.6	Very low	36.8	Very low	117 Å²	117	87.5 Å²	87.5	61%	0.613	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-92.7	-16.5	164.5	-99.4	70.2	0	0	0	113.4	H597 N601	H597-L599 PolarHBondContact O-N 2.96Å; L599-N601 PolarHBondContact O-N 2.93Å
600	Q	37	Very low	36.6	Very low	87 Å²	87	90 Å²	90	41%	0.407	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-13.1	-173.3	-134.2	80.8	7.3	0	0	114	H597 D1077	H597-Q600 PolarHBondContact O-N 2.87Å; Q600-D1077 PolarHBondContact NE2-OD1 2.97Å
601	N	27.7	Very low	36.6	Very low	134 Å²	134	98.3 Å²	98.3	72%	0.717	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	12.8	-171.5	-69.3	1.2	0	0	0	114.6	L599	L599-N601 PolarHBondContact O-N 2.93Å
602	S	28.6	Very low	36	Very low	98 Å²	98	102 Å²	102	69%	0.685	56%	0.555	S	S	*	*			trans	-114	20.5	-175.7	88.7	0	0	0	0	115.2
603	S	29.9	Very low	35.6	Very low	90 Å²	90	107.7 Å²	107.7	63%	0.629	59%	0.592	S	S	*	*	S	Bend	trans	-83.4	-21.9	-178.3	36.6	0	0	0	0	115.2
604	D	28.3	Very low	34.4	Very low	142 Å²	142	110.6 Å²	110.6	76%	0.759	62%	0.615	S	S	*	*	S	Bend	trans	-114.4	44.1	-157.9	-57.6	-67.9	0	0	0	114.2
605	I	27.5	Very low	33.4	Very low	145 Å²	145	114.8 Å²	114.8	74%	0.744	65%	0.646	S	S	*	*			trans	-137	132.2	169.8	-47.5	-179	0	0	0	110.8
606	N	27.8	Very low	32.6	Very low	148 Å²	148	117 Å²	117	79%	0.791	68%	0.677	S	S	*	*			trans	89.7	75.6	174.9	-50.9	-69.1	0	0	0	118
607	T	30.8	Very low	31.8	Very low	139 Å²	139	120 Å²	120	85%	0.853	70%	0.697	S	S	*	*			trans	-177.3	139.2	136.2	17.4	0	0	0	0	107.8
608	D	27.3	Very low	31.1	Very low	124 Å²	124	123.9 Å²	123.9	66%	0.663	72%	0.72	S	S	*	*			cis	-156.5	173.7	-12.7	-158.3	-24.3	0	0	0	107.7
609	H	34.3	Very low	31	Very low	168 Å²	168	125.6 Å²	125.6	78%	0.778	73%	0.733	S	S	*	*			trans	70.1	123.7	163.8	-52	-16.3	0	0	0	116.6
610	G	29.9	Very low	30.7	Very low	76 Å²	76	126.6 Å²	126.6	78%	0.784	74%	0.738	S	S	*	*			trans	-113.1	170.6	177.3	0	0	0	0	0	113.8
611	K	31.9	Very low	30.4	Very low	209 Å²	209	130.9 Å²	130.9	91%	0.909	76%	0.756	S	S	*	*			trans	-157.5	140.8	151.7	-104.1	166.7	-175.9	177.5	0	107.2
612	E	27	Very low	30.7	Very low	153 Å²	153	129.8 Å²	129.8	72%	0.715	76%	0.758	S	S	*	*			trans	-65	163.2	167.9	-65.1	-158.6	160.2	0	0	110.8	S614	E612-S614 VanDerWaalsContact OE2-CB 3.26Å; E612-S614 WeakPolarHBondContact OE2-CB 3.37Å; E612-S614 PolarHBondContact OE2-OG 2.93Å
613	P	32.7	Very low	31	Very low	133 Å²	133	130.7 Å²	130.7	86%	0.864	76%	0.756	S	S	*	*				-126.4	137	91.8	35.9	-30.3	0	0	0	113.8
614	S	30.2	Very low	31.2	Very low	89 Å²	89	136 Å²	136	62%	0.622	76%	0.762	S	S	*	*			trans	-92.7	152.4	170.7	41.8	0	0	0	0	111.3	E612	E612-S614 VanDerWaalsContact OE2-CB 3.26Å; E612-S614 WeakPolarHBondContact OE2-CB 3.37Å; E612-S614 PolarHBondContact OE2-OG 2.93Å
615	S	33.7	Very low	31.5	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	76%	0.76	S	S	*	*			trans	-155	120.4	171.8	65.9	0	0	0	0	113.3
616	G	32.6	Very low	31.8	Very low	73 Å²	73	138.1 Å²	138.1	75%	0.753	76%	0.76	S	S	*	*			trans	97.8	130.7	168.6	0	0	0	0	0	114.7
617	V	32.7	Very low	32.1	Very low	130 Å²	130	135.2 Å²	135.2	79%	0.788	75%	0.751	S	S	*	*			cis	-150.2	133.8	-8.8	-167.2	0	0	0	0	107.3
618	D	31.9	Very low	32.1	Very low	144 Å²	144	133.5 Å²	133.5	77%	0.77	74%	0.744	S	S	*	*				169.5	134.6	126.8	-95	-26.1	0	0	0	116.5
619	V	32.5	Very low	32.5	Very low	118 Å²	118	131.9 Å²	131.9	72%	0.715	75%	0.748	S	S	*	*			trans	74	119.8	136.7	176	0	0	0	0	121.4
620	L	31	Very low	32.4	Very low	137 Å²	137	130 Å²	130	72%	0.717	75%	0.748	S	S	*	*			trans	85.7	89.9	155.5	-71.2	166.2	0	0	0	123
621	K	30.8	Very low	32.6	Very low	178 Å²	178	132 Å²	132	77%	0.774	75%	0.745	S	S	*	*				65.4	122.2	125.5	-72.1	-177.9	-176.9	176.8	0	123.1
622	S	33	Very low	32.9	Very low	110 Å²	110	127.8 Å²	127.8	77%	0.769	74%	0.74	S	S	*	*			trans	71.1	144.3	136	69.3	0	0	0	0	119.1
623	D	34.4	Very low	33.1	Very low	118 Å²	118	126.2 Å²	126.2	63%	0.631	74%	0.74	S	S	*	*			cis	-154.3	158.2	0.3	-143.8	-0.8	0	0	0	113.3
624	R	34	Very low	33.3	Very low	200 Å²	200	126.5 Å²	126.5	76%	0.755	74%	0.735	S	S	*	*			trans	63.1	117.9	154.2	-68.8	165.2	-149.9	-143.3	-1.4	123.9
625	K	34.7	Very low	33.6	Very low	167 Å²	167	127.5 Å²	127.5	73%	0.726	73%	0.733	S	S	*	*				65.9	152.3	124.6	-59.7	-166.2	174.5	-167.6	0	119.9
626	F	33.9	Very low	33.6	Very low	166 Å²	166	128.5 Å²	128.5	73%	0.728	73%	0.729	S	S	*	*			cis	-154.5	130.8	-5.9	-120.5	-154.1	0	0	0	105.9
627	S	34.3	Very low	33.7	Very low	87 Å²	87	129.5 Å²	129.5	61%	0.608	72%	0.724	S	S	*	*				48	143.4	96.9	76	0	0	0	0	116.8
628	S	31.4	Very low	33.6	Very low	102 Å²	102	127.1 Å²	127.1	71%	0.713	71%	0.713	S	S	*	*			cis	173.8	170.6	-11.1	50.9	0	0	0	0	109.1
629	A	35.1	Very low	33.6	Very low	90 Å²	90	127 Å²	127	74%	0.744	71%	0.713	S	S	*	*			trans	69.2	163	152.8	0	0	0	0	0	118.2
630	T	31.8	Very low	33.7	Very low	128 Å²	128	128.3 Å²	128.3	79%	0.785	72%	0.716	S	S	*	*			cis	-159.6	158.1	-30.7	-88.3	0	0	0	0	108.4
631	V	34.2	Very low	33.7	Very low	118 Å²	118	127.4 Å²	127.4	72%	0.715	71%	0.712	S	S	*	*			trans	-60.3	148.9	176.4	175.8	0	0	0	0	113.1	T633	V631-T633 HydrophobicContact CG1-CG2 4.46Å
632	P	38.1	Very low	33.7	Very low	122 Å²	122	125.5 Å²	125.5	79%	0.792	71%	0.705	S	S	*	*			trans	-123.4	135.6	135.4	35.4	-28.6	0	0	0	112.3
633	T	32.1	Very low	33.5	Very low	119 Å²	119	126.2 Å²	126.2	73%	0.73	70%	0.701	S	S	*	*			trans	-89.7	146.3	156.9	45.8	0	0	0	0	108.8	V631	V631-T633 HydrophobicContact CG1-CG2 4.46Å
634	D	36.7	Very low	33.3	Very low	139 Å²	139	126 Å²	126	74%	0.743	71%	0.709	S	S	*	*			trans	-164.6	146.7	151.1	-116.7	-7	0	0	0	114.4
635	N	36.5	Very low	33.1	Very low	111 Å²	111	120.2 Å²	120.2	59%	0.594	70%	0.699	S	S	*	*			trans	54.3	126.7	143.8	-63.9	-41.4	0	0	0	122.7
636	N	34.1	Very low	33.1	Very low	142 Å²	142	120.4 Å²	120.4	76%	0.759	70%	0.702	S	S	*	*				61.3	148.3	123.7	-58	-17.8	0	0	0	120.8
637	S	34.5	Very low	33	Very low	93 Å²	93	121 Å²	121	65%	0.65	70%	0.704	S	S	*	*			cis	-170.3	179.9	-13.4	50.2	0	0	0	0	109.6
638	S	30.7	Very low	32.9	Very low	80 Å²	80	121.6 Å²	121.6	56%	0.559	71%	0.708	S	S	*	*			trans	54.2	110.7	139.4	62.1	0	0	0	0	120.7
639	D	31.9	Very low	33	Very low	141 Å²	141	122.5 Å²	122.5	75%	0.754	71%	0.705	S	S	*	*				81.6	145.1	120.2	-53.1	-13.1	0	0	0	122.4
640	N	35.1	Very low	33	Very low	146 Å²	146	125.9 Å²	125.9	78%	0.781	71%	0.705	S	S	*	*			trans	69.6	155	152.4	-61.9	-33.8	0	0	0	119.6
641	N	29.9	Very low	32.9	Very low	118 Å²	118	125.6 Å²	125.6	63%	0.631	70%	0.704	S	S	*	*			cis	-165.2	166.4	-39.1	-162.9	11.9	0	0	0	106.8
642	E	30.5	Very low	32.7	Very low	138 Å²	138	127.4 Å²	127.4	65%	0.645	71%	0.706	S	S	*	*			trans	51.1	123.7	148.5	-81.8	177.2	-134.2	0	0	123.4
643	N	28.5	Very low	32.2	Very low	125 Å²	125	127.6 Å²	127.6	67%	0.668	71%	0.705	S	S	*	*				68.9	116.7	125.7	-63.3	-27.6	0	0	0	122.4
644	S	31.8	Very low	32	Very low	114 Å²	114	126.2 Å²	126.2	80%	0.797	70%	0.7	S	S	*	*			trans	73.6	167.6	144.6	106.6	0	0	0	0	115.2
645	S	29.2	Very low	31.6	Very low	78 Å²	78	127.9 Å²	127.9	55%	0.545	70%	0.702	S	S	.	*			cis	-164.2	158.7	-31	44.3	0	0	0	0	108.3
646	H	34.5	Very low	31.1	Very low	171 Å²	171	132.1 Å²	132.1	79%	0.792	71%	0.709	S	S	*	*			trans	66.1	159.1	166.8	-58.2	-45.9	0	0	0	116.7
647	K	31.7	Very low	30.7	Very low	180 Å²	180	135.8 Å²	135.8	78%	0.783	71%	0.712	S	S	*	*			cis	-168.4	148.1	-30.1	179.7	175.5	-175	-179.4	0	107.7
648	S	32.6	Very low	30.8	Very low	99 Å²	99	142.8 Å²	142.8	69%	0.692	73%	0.725	S	S	*	*			trans	72.8	153.8	170.7	93.3	0	0	0	0	115
649	N	33.4	Very low	30.7	Very low	121 Å²	121	145.2 Å²	145.2	65%	0.647	74%	0.738	S	S	*	*			cis	-148	141.3	8.2	-117.4	-32.1	0	0	0	111.8
650	Q	35.2	Very low	30.6	Very low	160 Å²	160	143.7 Å²	143.7	75%	0.748	74%	0.739	S	S	*	*			trans	56.7	131.3	146.2	-59.7	163.5	45.8	0	0	118.4
651	T	29.7	Very low	30.3	Very low	123 Å²	123	141.5 Å²	141.5	76%	0.755	74%	0.735	S	S	*	*			cis	-155.5	139.7	40.3	-57.1	0	0	0	0	112.6
652	M	30	Very low	30.3	Very low	156 Å²	156	144.5 Å²	144.5	77%	0.768	75%	0.75	S	S	*	*			trans	14.1	124	155.1	-54.3	-58.4	175.4	0	0	118.9
653	T	26.8	Very low	30.2	Very low	125 Å²	125	148 Å²	148	77%	0.767	76%	0.757	S	S	*	*				52.8	143	51.6	94.2	0	0	0	0	113.5
654	S	29.1	Very low	30.2	Very low	90 Å²	90	152.2 Å²	152.2	63%	0.629	77%	0.77	S	S	*	*			cis	-165.6	177.2	17.6	67.2	0	0	0	0	112.8
655	F	27.1	Very low	30	Very low	175 Å²	175	152.6 Å²	152.6	77%	0.768	77%	0.768	S	S	*	*			trans	43.1	127.2	147.5	-62.8	-53.3	0	0	0	125.1
656	R	26	Very low	29.9	Very low	199 Å²	199	153 Å²	153	75%	0.751	77%	0.77	S	S	*	*				69.9	130.1	127.6	-71.5	179.9	174.2	-162.8	-0.9	122.2
657	R	26.6	Very low	29.6	Very low	220 Å²	220	152.4 Å²	152.4	83%	0.83	77%	0.768	S	S	*	*			trans	74.4	152.9	149.3	-66.5	172.6	179.5	-176.3	-0.2	117.7
658	R	36.2	Very low	29.3	Very low	240 Å²	240	154.2 Å²	154.2	91%	0.906	77%	0.771	S	S	*	*			trans	-68	156.2	170.7	-68	176.8	173.6	163.2	-3.7	110.5
659	P	29.4	Very low	29	Very low	130 Å²	130	157.9 Å²	157.9	84%	0.844	78%	0.778	S	S	*	*				-128.6	175.6	119	37.7	-31.7	0	0	0	113
660	S	28.7	Very low	28.6	Very low	109 Å²	109	160.2 Å²	160.2	76%	0.762	79%	0.785	S	S	*	*			trans	-132.8	125.5	177.4	55	0	0	0	0	110.5
661	S	29.1	Very low	28.3	Very low	101 Å²	101	161.8 Å²	161.8	71%	0.706	79%	0.792	S	S	*	*			trans	171.7	150.7	131.9	54.5	0	0	0	0	111.5
662	L	30.4	Very low	28.1	Very low	180 Å²	180	160.7 Å²	160.7	94%	0.942	79%	0.789	S	S	*	*			trans	-121.7	125.9	141.1	-82.6	170.1	0	0	0	105.9
663	R	27.6	Very low	28	Very low	212 Å²	212	163.6 Å²	163.6	80%	0.8	79%	0.793	S	S	*	*			trans	-98.8	148.4	172.5	-74.2	177.9	171	167.7	-4.8	108.7
664	F	30.2	Very low	28.1	Very low	214 Å²	214	164.2 Å²	164.2	94%	0.939	79%	0.788	S	S	*	*			trans	-115.6	137.9	143.5	-105	-91.8	0	0	0	108.1
665	T	26.1	Very low	28.1	Very low	122 Å²	122	168.8 Å²	168.8	75%	0.748	79%	0.791	S	S	*	*			trans	-86.2	164.3	175.5	43.1	0	0	0	0	109.3
666	S	26.6	Very low	28.2	Very low	85 Å²	85	166.6 Å²	166.6	59%	0.594	79%	0.787	S	S	*	*			cis	-161.1	157.5	44	-164.1	0	0	0	0	113.7
667	Q	29.4	Very low	28.3	Very low	160 Å²	160	162.5 Å²	162.5	75%	0.748	79%	0.785	S	S	*	*			trans	48.2	117.6	154.2	-72.8	148.7	-17.6	0	0	118.8
668	Y	25.2	Very low	28.3	Very low	218 Å²	218	159.2 Å²	159.2	86%	0.855	78%	0.782	S	S	*	*				59.3	132.8	82.8	-71.4	-69.2	0	0	0	112.6
669	Q	25.8	Very low	27.9	Very low	176 Å²	176	152.5 Å²	152.5	82%	0.822	77%	0.772	S	S	*	*			cis	-146.1	160.8	32.3	-176.7	171.9	-11.4	0	0	112.9
670	E	25	Very low	28	Very low	170 Å²	170	152 Å²	152	79%	0.794	77%	0.766	S	S	*	*			trans	-86.4	153.8	177.9	-59.5	167.5	117.4	0	0	112.7
671	Q	29.4	Very low	28	Very low	192 Å²	192	151.6 Å²	151.6	90%	0.897	76%	0.763	S	S	*	*			trans	-153.9	134.4	139.6	-116.4	168	30.9	0	0	111.5
672	S	24.6	Very low	28.1	Very low	101 Å²	101	153.9 Å²	153.9	71%	0.706	77%	0.766	S	S	*	*			trans	-101.2	159.2	178.4	52.1	0	0	0	0	110.9
673	Y	29.2	Very low	28.1	Very low	217 Å²	217	152.1 Å²	152.1	85%	0.851	76%	0.763	S	S	*	*			trans	-154.5	164.4	139.7	-110.5	-70.8	0	0	0	111.4
674	E	27.6	Very low	28.3	Very low	138 Å²	138	145.7 Å²	145.7	65%	0.645	76%	0.762	S	S	*	*			trans	-85.4	-168.6	-172.3	-49	174.9	117.6	0	0	110.9
675	R	30.6	Very low	28.3	Very low	185 Å²	185	140.9 Å²	140.9	70%	0.698	76%	0.755	S	S	*	*			cis	-164.6	147.6	19.1	-151.5	176	-85.2	168.7	-7.9	112.5
676	N	28.4	Very low	28.7	Very low	130 Å²	130	139.8 Å²	139.8	70%	0.695	75%	0.752	S	S	*	*			trans	40.9	126.7	145.8	-68.2	3.3	0	0	0	124.8
677	T	27.5	Very low	29	Very low	113 Å²	113	142.1 Å²	142.1	69%	0.693	76%	0.758	S	S	*	*				74.9	123.7	124.3	61.5	0	0	0	0	124.4
678	I	28.4	Very low	29.3	Very low	150 Å²	150	140.7 Å²	140.7	77%	0.769	76%	0.756	S	S	*	*				84.9	112	125.5	-68.2	170.7	0	0	0	119.9
679	S	27.8	Very low	29.6	Very low	99 Å²	99	141.1 Å²	141.1	69%	0.692	76%	0.756	S	S	*	*			trans	82.4	142.1	142.6	-72.2	0	0	0	0	123.9
680	T	29.5	Very low	30	Very low	119 Å²	119	141.3 Å²	141.3	73%	0.73	76%	0.756	S	S	*	*			trans	56.7	84.8	145.6	51.6	0	0	0	0	120.4
681	S	29.7	Very low	30.3	Very low	101 Å²	101	138.1 Å²	138.1	71%	0.706	75%	0.749	S	S	*	*				64.6	155.7	110.8	66.3	0	0	0	0	122.5
682	I	31.7	Very low	30.6	Very low	150 Å²	150	136.7 Å²	136.7	77%	0.769	75%	0.747	S	S	*	*			trans	90.7	103.7	165.8	-55.5	176.7	0	0	0	116.1
683	V	30.7	Very low	31	Very low	143 Å²	143	136.3 Å²	136.3	87%	0.867	75%	0.749	S	S	*	*			trans	39.9	123	138.7	-172.1	0	0	0	0	119.6
684	G	30.8	Very low	31.3	Very low	76 Å²	76	129.8 Å²	129.8	78%	0.784	75%	0.748	S	S	*	*			trans	177	116.9	161.6	0	0	0	0	0	113.6
685	S	30.9	Very low	31.6	Very low	114 Å²	114	127.7 Å²	127.7	80%	0.797	76%	0.755	S	S	*	*			trans	-88.7	146.8	-172.9	-58.1	0	0	0	0	114.6
686	S	33.4	Very low	31.7	Very low	98 Å²	98	130.2 Å²	130.2	69%	0.685	76%	0.764	S	S	*	*			trans	98.4	140	130.3	82.3	0	0	0	0	123
687	N	33	Very low	31.8	Very low	134 Å²	134	134.5 Å²	134.5	72%	0.717	77%	0.77	S	S	*	*			trans	94.3	127.9	136.4	-68.3	-16.6	0	0	0	123.8
688	N	34.9	Very low	32.1	Very low	131 Å²	131	141.1 Å²	141.1	70%	0.701	78%	0.783	S	S	*	*			trans	63.2	121.2	152.2	-56.9	-25.3	0	0	0	119.1
689	R	31.6	Very low	32.1	Very low	226 Å²	226	140.2 Å²	140.2	85%	0.853	78%	0.779	S	S	*	*			cis	76	116.8	47.9	-69.6	-171.5	-179.7	-173.5	4.3	114.7
690	H	34.8	Very low	32.1	Very low	180 Å²	180	146.2 Å²	146.2	83%	0.833	79%	0.789	S	S	*	*			trans	-145	-176.1	139.6	-127.1	-87.8	0	0	0	111
691	T	32.4	Very low	32	Very low	104 Å²	104	146.2 Å²	146.2	64%	0.638	79%	0.79	S	S	*	*			trans	-155.5	-180	-154.3	48.1	0	0	0	0	113.5
692	L	34.3	Very low	31.9	Very low	162 Å²	162	148.8 Å²	148.8	85%	0.848	80%	0.795	S	S	*	*			trans	89.5	151	172.3	-75.7	65.5	0	0	0	117.7
693	A	32.7	Very low	31.7	Very low	92 Å²	92	149.7 Å²	149.7	76%	0.76	80%	0.796	S	S	*	*			cis	-173.9	148.7	-31.1	0	0	0	0	0	113
694	G	35.4	Very low	31.7	Very low	80 Å²	80	150.4 Å²	150.4	83%	0.825	79%	0.793	S	S	*	*			trans	79.3	161.8	164.3	0	0	0	0	0	116.2
695	A	34.2	Very low	31.5	Very low	95 Å²	95	153 Å²	153	79%	0.785	79%	0.789	S	S	*	*			cis	-167.5	172.9	-6.7	0	0	0	0	0	108.5
696	R	33.3	Very low	31.3	Very low	237 Å²	237	152.1 Å²	152.1	89%	0.894	78%	0.783	S	S	*	*			cis	-161	112	-5.1	-137.4	177.5	-166.9	-165.4	4.9	110.6
697	R	31.2	Very low	31.1	Very low	220 Å²	220	153.4 Å²	153.4	83%	0.83	79%	0.787	S	S	*	*			trans	44.5	131.8	158.4	-62.9	179.4	-179.8	-109.4	3.3	122.1
698	R	33.5	Very low	30.8	Very low	252 Å²	252	154.8 Å²	154.8	95%	0.951	79%	0.789	S	S	*	*				-161.2	155.3	105.4	-101.9	174	-167.5	177.4	5.1	110.1
699	N	28.8	Very low	30.5	Very low	131 Å²	131	155.5 Å²	155.5	70%	0.701	79%	0.792	S	S	*	*			trans	-115.9	147.2	-164.8	-61.9	10.7	0	0	0	112.7
700	Y	28	Very low	30.2	Very low	226 Å²	226	149.8 Å²	149.8	89%	0.886	79%	0.787	S	S	*	*			trans	-132.7	151.3	143.2	-84.3	-77.5	0	0	0	108.2
701	P	26.5	Very low	29.8	Very low	118 Å²	118	146.9 Å²	146.9	77%	0.766	79%	0.785	S	S	*	*			trans	-78.7	129.6	-168.1	30.3	-33.8	0	0	0	112.5
702	I	28.7	Very low	29.5	Very low	156 Å²	156	147.1 Å²	147.1	80%	0.8	79%	0.791	S	S	*	*			trans	-100.3	115.5	158	-63	175.6	0	0	0	105.7	I704	I702-I704 PolarHBondContact O-N 2.86Å
703	E	27.4	Very low	29.4	Very low	168 Å²	168	143.8 Å²	143.8	79%	0.785	79%	0.787	S	S	*	*			trans	-68.4	121.6	175.1	-71.3	-158.6	162.8	0	0	110.7
704	I	29	Very low	29.4	Very low	158 Å²	158	145.1 Å²	145.1	81%	0.81	79%	0.788	S	S	*	*			trans	-98.6	97.7	166	-59.9	176.7	0	0	0	107.2	I702	I702-I704 PolarHBondContact O-N 2.86Å
705	N	27.5	Very low	29.4	Very low	131 Å²	131	147.7 Å²	147.7	70%	0.701	79%	0.79	S	S	*	*			trans	-135.5	147.4	159.6	-92.1	-54.9	0	0	0	106.8
706	S	27.6	Very low	29.4	Very low	95 Å²	95	149.2 Å²	149.2	66%	0.664	80%	0.795	S	S	*	*			cis	-172.4	167	-20.7	-100	0	0	0	0	102.7
707	T	27.7	Very low	29.5	Very low	126 Å²	126	141.8 Å²	141.8	77%	0.773	79%	0.792	S	S	*	*			trans	-52.5	174.8	-176.3	37.3	0	0	0	0	116.4
708	E	26.7	Very low	29.4	Very low	163 Å²	163	134.9 Å²	134.9	76%	0.762	79%	0.789	S	S	*	*			trans	84.9	140.6	163	-55.3	-169.6	-160.8	0	0	117.9
709	L	29.1	Very low	29.4	Very low	145 Å²	145	135.1 Å²	135.1	76%	0.759	79%	0.79	S	S	*	*			cis	-119.7	139.1	-24.3	-74.8	103.9	0	0	0	109.6
710	S	25.8	Very low	29.3	Very low	107 Å²	107	133.4 Å²	133.4	75%	0.748	79%	0.788	S	S	*	*			trans	-143.5	85.2	173.5	173.7	0	0	0	0	110.1	S712	S710-S712 PolarHBondContact O-N 2.84Å
711	C	25.6	Very low	29.5	Very low	118 Å²	118	131.6 Å²	131.6	80%	0.797	79%	0.785	S	S	*	*			trans	-72.8	72	-177.6	-58.3	0	0	0	0	112.2
712	S	27.2	Very low	29.7	Very low	110 Å²	110	133.4 Å²	133.4	77%	0.769	78%	0.784	S	S	*	*			trans	-161.9	78.7	174.4	-76.4	0	0	0	0	110.9	S710	S710-S712 PolarHBondContact O-N 2.84Å
713	A	31.9	Very low	29.7	Very low	92 Å²	92	131.5 Å²	131.5	76%	0.76	78%	0.781	S	S	*	*			trans	-148.7	124.5	172.6	0	0	0	0	0	110.9
714	P	31.6	Very low	29.8	Very low	119 Å²	119	132.3 Å²	132.3	77%	0.773	79%	0.785	S	S	*	*			trans	-88.3	153.1	168.4	35.4	-32.5	0	0	0	111.2
715	P	36.9	Very low	29.9	Very low	135 Å²	135	134.1 Å²	134.1	88%	0.877	79%	0.787	S	S	*	*			trans	-72.9	130.1	173.2	30.1	-33.5	0	0	0	111.2
716	S	33.5	Very low	30.1	Very low	127 Å²	127	134.5 Å²	134.5	89%	0.888	79%	0.789	S	S	*	*			trans	-94.9	111	173.4	55.8	0	0	0	0	111
717	G	34.7	Very low	30.5	Very low	80 Å²	80	138 Å²	138	83%	0.825	80%	0.799	S	S	*	*			trans	-155.8	111.9	171.7	0	0	0	0	0	109.5
718	G	30	Very low	31.1	Very low	75 Å²	75	137.2 Å²	137.2	77%	0.773	79%	0.793	S	S	*	*			trans	-104.5	150.2	-168.4	0	0	0	0	0	114.5
719	R	33.2	Very low	31.8	Very low	257 Å²	257	135 Å²	135	97%	0.97	79%	0.787	S	S	*	*			trans	-149.1	157.5	145.8	-100.5	163.7	-147	-124.2	3.1	108.3
720	S	27.5	Very low	32.2	Very low	96 Å²	96	137.6 Å²	137.6	67%	0.671	79%	0.787	S	S	*	*			trans	-68.7	148.9	-175.4	-169	0	0	0	0	112.2
721	F	30.7	Very low	32.9	Very low	187 Å²	187	135 Å²	135	82%	0.82	76%	0.764	S	S	*	*				179.4	133.7	114.5	-91	-60.9	0	0	0	113.1
722	Q	32.4	Very low	33.5	Very low	157 Å²	157	131.9 Å²	131.9	73%	0.734	75%	0.747	S	S	*	*			trans	43.7	132.3	159.1	-59.5	-62.9	0.3	0	0	122.4	H724	Q722-H724 PolarHBondContact O-N 2.92Å
723	P	28.3	Very low	33.8	Very low	115 Å²	115	132.7 Å²	132.7	75%	0.747	74%	0.743	S	S	*	*			trans	-92.6	98.4	177.3	35.9	-31.6	0	0	0	113.2
724	H	29.7	Very low	34.2	Very low	185 Å²	185	133.7 Å²	133.7	86%	0.856	74%	0.739	S	S	*	*			trans	-92.3	135.9	167.1	-107.9	-103.3	0	0	0	113	Q722 N726	Q722-H724 PolarHBondContact O-N 2.92Å; H724-N726 PolarHBondContact O-N 3.44Å
725	K	30.8	Very low	34.5	Very low	197 Å²	197	130.5 Å²	130.5	86%	0.857	72%	0.715	S	S	*	*			trans	-79.5	105.9	-174.8	-57.3	169.3	-173.7	171.5	0	110.3
726	N	30.7	Very low	34	Very low	139 Å²	139	127.8 Å²	127.8	74%	0.743	70%	0.703	S	S	*	*			trans	-156.5	113.5	165	-96.6	-35.7	0	0	0	111	H724	H724-N726 PolarHBondContact O-N 3.44Å
727	I	36.7	Very low	33.9	Very low	169 Å²	169	126 Å²	126	87%	0.867	69%	0.69	S	S	*	*			trans	-108.3	68.5	-174.7	-52.7	-178.3	0	0	0	110.1
728	T	41	Very low	33.8	Very low	108 Å²	108	127.9 Å²	127.9	66%	0.663	69%	0.686	S	S	*	*			trans	-131.7	-14.2	-175.2	46.2	0	0	0	0	115.1
729	N	40.5	Very low	33.7	Very low	116 Å²	116	130.6 Å²	130.6	62%	0.62	69%	0.69	S	S	*	*			trans	-106.3	56.3	-168.1	-74.6	-23.5	0	0	0	115.5	N733	N729-N733 PolarHBondContact O-OD1 2.91Å
730	R	37.2	Very low	33.6	Very low	201 Å²	201	124.2 Å²	124.2	76%	0.758	68%	0.679	S	S	*	*	S	Bend	trans	-97.1	-25	171	-79.7	-169.9	178.8	162.8	5.7	115.5	T734	R730-T734 PolarHBondContact O-OG1 2.85Å
731	L	41.8	Very low	33.8	Very low	51 Å²	51	124.8 Å²	124.8	27%	0.267	68%	0.68	S	S	.	*	S	Bend	trans	-77.6	-41.2	174.3	-112.4	70.7	0	0	0	112.4	N733 T734 M735 Y808	L731-N733 VanDerWaalsContact C-N 3.26Å; L731-N733 PolarHBondContact O-N 3.25Å; L731-T734 WeakPolarHBondContact O-CA 3.33Å; L731-T734 PolarHBondContact O-N 3.2Å; L731-M735 VanDerWaalsContact O-CG 3.31Å; L731-M735 WeakPolarHBondContact O-CG 3.15Å; L731-M735 PolarHBondContact O-N 2.71Å; L731-Y808 HydrophobicContact CD1-CE1 4.06Å; L731-Y808 HydrophobicContact CD1-CE2 3.96Å; L731-Y808 VanDerWaalsContact CD1-CZ 3.5Å; L731-Y808 VanDerWaalsContact CD1-OH 3.23Å; L731-Y808 WeakPolarHBondContact CD1-OH 3.17Å; L731-Y808 HydrophobicContact CD2-CD1 3.76Å; L731-Y808 HydrophobicContact CD2-CD2 3.91Å; L731-Y808 HydrophobicContact CD2-CE1 3.6Å; L731-Y808 HydrophobicContact CD2-CE2 3.72Å; L731-Y808 HydrophobicContact CD2-CG 3.94Å; L731-Y808 HydrophobicContact CG-CE1 4.48Å; L731-Y808 HydrophobicContact CG-CE2 4.43Å
732	A	36.9	Very low	33.7	Very low	54 Å²	54	125 Å²	125	45%	0.446	68%	0.684	S	S	.	*	H	α-helix	trans	-49.3	-49	173.7	0	0	0	0	0	111.5	T734 M735 A736	A732-T734 PolarHBondContact O-N 2.92Å; A732-M735 CarbonylContact O-C 3.11Å; A732-M735 PolarHBondContact O-N 3.2Å; A732-M735 VanDerWaalsContact O-N 3.13Å; A732-A736 WeakPolarHBondContact O-CB 3.16Å; A732-A736 PolarHBondContact O-N 2.83Å
733	N	34.7	Very low	33.7	Very low	127 Å²	127	120.5 Å²	120.5	68%	0.679	68%	0.679	S	S	*	*	H	α-helix	trans	-73.6	-5.8	179.8	-60.8	24.2	0	0	0	114.5	N729 L731	N729-N733 PolarHBondContact O-OD1 2.91Å; L731-N733 VanDerWaalsContact C-N 3.26Å; L731-N733 PolarHBondContact O-N 3.25Å
734	T	39.4	Very low	34.1	Very low	113 Å²	113	119.2 Å²	119.2	69%	0.693	67%	0.673	S	S	*	*	H	α-helix	trans	-97.9	-22.8	171.2	-48.7	0	0	0	0	111.4	R730 L731 A732	R730-T734 PolarHBondContact O-OG1 2.85Å; L731-T734 WeakPolarHBondContact O-CA 3.33Å; L731-T734 PolarHBondContact O-N 3.2Å; A732-T734 PolarHBondContact O-N 2.92Å
735	M	37.1	Very low	34.7	Very low	52 Å²	52	113 Å²	113	26%	0.256	65%	0.65	S	S	.	*	H	α-helix	trans	-96.7	-0.6	177.6	-56.8	-78.6	-79.7	0	0	112.4	L731 A732 C737 H762 P763	L731-M735 VanDerWaalsContact O-CG 3.31Å; L731-M735 WeakPolarHBondContact O-CG 3.15Å; L731-M735 PolarHBondContact O-N 2.71Å; A732-M735 CarbonylContact O-C 3.11Å; A732-M735 PolarHBondContact O-N 3.2Å; A732-M735 VanDerWaalsContact O-N 3.13Å; M735-C737 VanDerWaalsContact C-N 3.27Å; M735-C737 PolarHBondContact O-N 2.83Å; M735-H762 PolarHBondContact O-CE1 3.4Å; M735-H762 PolarHBondContact O-NE2 3.21Å; M735-P763 HydrophobicContact CE-CG 3.68Å
736	A	27.6	Very low	35.3	Very low	77 Å²	77	111.8 Å²	111.8	64%	0.636	65%	0.648	S	S	*	*			trans	-83.6	61	-176.3	0	0	0	0	0	112.4	A732	A732-A736 WeakPolarHBondContact O-CB 3.16Å; A732-A736 PolarHBondContact O-N 2.83Å
737	C	31.1	Very low	35.9	Very low	90 Å²	90	110.9 Å²	110.9	61%	0.608	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-75.5	146	162.3	-73.5	0	0	0	0	110	M735	M735-C737 VanDerWaalsContact C-N 3.27Å; M735-C737 PolarHBondContact O-N 2.83Å
738	T	31.9	Very low	36.6	Very low	120 Å²	120	104.6 Å²	104.6	74%	0.736	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-62.7	138.7	178.7	44.7	0	0	0	0	111.2	V740	T738-V740 PolarHBondContact O-N 3.37Å
739	P	28.6	Very low	37.1	Very low	132 Å²	132	107.3 Å²	107.3	86%	0.857	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-66.5	120.5	179.4	27.4	-33.8	0	0	0	110.7
740	V	31.6	Very low	38.1	Very low	123 Å²	123	104.8 Å²	104.8	75%	0.745	61%	0.605	S	S	*	*			trans	-119.4	129.8	171.3	-175.2	0	0	0	0	107.1	T738 H742	T738-V740 PolarHBondContact O-N 3.37Å; V740-H742 PolarHBondContact O-N 3.14Å
741	P	30.5	Very low	39.6	Very low	107 Å²	107	97.8 Å²	97.8	70%	0.695	58%	0.583	S	S	*	*			trans	-70.8	131.4	-168.3	25.9	-34.3	0	0	0	113.7
742	H	29.6	Very low	41	Very low	193 Å²	193	96.6 Å²	96.6	89%	0.894	58%	0.575	S	S	*	*			trans	26.6	96.5	150.9	-48.2	-77.9	0	0	0	117.9	V740	V740-H742 PolarHBondContact O-N 3.14Å
743	G	32.6	Very low	42.9	Very low	61 Å²	61	94.8 Å²	94.8	63%	0.629	56%	0.557	S	S	*	*			trans	-171.6	92.4	174.5	0	0	0	0	0	117.4
744	S	36	Very low	45	Very low	89 Å²	89	90.8 Å²	90.8	62%	0.622	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	28.9	106	146.7	-166	0	0	0	0	119.5	K585 Q746	K585-S744 PolarHBondContact NZ-OG 2.71Å; S744-Q746 VanDerWaalsContact C-N 3.32Å; S744-Q746 PolarHBondContact O-N 3.47Å
745	S	41.3	Very low	46.8	Very low	55 Å²	55	85.4 Å²	85.4	39%	0.385	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	-4.8	156.3	31.5	0	0	0	0	120.9	K585 H747	K585-S745 PolarHBondContact NZ-OG 3.04Å; S745-H747 VanDerWaalsContact C-N 3.25Å; S745-H747 PolarHBondContact O-N 2.94Å; S745-H747 VanDerWaalsContact O-N 3.14Å
746	Q	45.2	Very low	48.9	Very low	171 Å²	171	83 Å²	83	80%	0.799	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-9.8	-175.1	-61.3	-167.2	10.5	0	0	116.1	S744	S744-Q746 VanDerWaalsContact C-N 3.32Å; S744-Q746 PolarHBondContact O-N 3.47Å
747	H	42.6	Very low	51.7	Low	119 Å²	119	79.4 Å²	79.4	55%	0.551	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-3.3	-173.9	-100.2	-120.8	0	0	0	116	S745 L749 R760	S745-H747 VanDerWaalsContact C-N 3.25Å; S745-H747 PolarHBondContact O-N 2.94Å; S745-H747 VanDerWaalsContact O-N 3.14Å; H747-L749 PolarHBondContact O-N 2.82Å; H747-R760 PolarHBondContact ND1-O 2.82Å
748	L	51.5	Low	54.2	Low	38 Å²	38	78.5 Å²	78.5	20%	0.199	45%	0.449	C	S	.	.			trans	-102	65.5	-173.7	-60.1	-177.2	0	0	0	112.6	L581 V750 S755 I761	L581-L748 HydrophobicContact CD1-CB 3.99Å; L581-L748 HydrophobicContact CD1-CD1 4.3Å; L581-L748 HydrophobicContact CD2-CD1 3.68Å; L748-V750 CarbonylContact C-O 3.5Å; L748-V750 PolarHBondContact O-N 2.82Å; L748-S755 VanDerWaalsContact CD2-CB 3.42Å; L748-I761 HydrophobicContact CD2-CD1 4.37Å
749	L	50.8	Low	56.6	Low	165 Å²	165	74.1 Å²	74.1	86%	0.864	43%	0.427	S	S	*	.	S	Bend	trans	-66.9	-10	167.7	-72.7	169.3	0	0	0	113.5	H747	H747-L749 PolarHBondContact O-N 2.82Å
750	V	61.4	Low	59	Low	63 Å²	63	71.6 Å²	71.6	38%	0.382	40%	0.401	S	S	.	.	S	Bend	trans	-145.5	165	173.7	-162.4	0	0	0	0	106.6	L748 E754 S755	L748-V750 CarbonylContact C-O 3.5Å; L748-V750 PolarHBondContact O-N 2.82Å; V750-E754 HydrophobicContact CB-CB 4.32Å; V750-E754 HydrophobicContact CB-CG 4.37Å; V750-E754 HydrophobicContact CG1-CB 3.88Å; V750-E754 HydrophobicContact CG1-CG 3.91Å; V750-S755 PolarHBondContact O-OG 3.1Å; V750-S755 VanDerWaalsContact O-OG 3.13Å
751	N	69.5	Low	61.4	Low	54 Å²	54	67 Å²	67	29%	0.289	37%	0.372	S	S	.	.			trans	-48.3	160	179	73.4	24.5	0	0	0	114.4	E753 E754 S755	N751-E753 PolarHBondContact O-N 2.8Å; N751-E754 PolarHBondContact O-N 2.98Å; N751-E754 WeakPolarHBondContact OD1-CB 3.31Å; N751-E754 PolarHBondContact OD1-N 3.08Å; N751-S755 WeakPolarHBondContact O-CB 3.35Å; N751-S755 PolarHBondContact O-N 3.5Å; N751-S755 VanDerWaalsContact O-N 3.09Å; N751-S755 PolarHBondContact O-OG 2.87Å; N751-S755 VanDerWaalsContact O-OG 3.12Å
752	F	70.1	Confident	63.9	Low	25 Å²	25	66.9 Å²	66.9	11%	0.11	36%	0.362	C	S	.	.	H	α-helix	trans	-58	-44.5	-173.5	176.9	-104.2	0	0	0	112.9	M584 M593 S755 M756 I761 L796	M584-F752 HydrophobicContact CE-CB 4.27Å; M593-F752 HydrophobicContact CG-CE1 4.05Å; M593-F752 HydrophobicContact SD-CD1 4.39Å; M593-F752 HydrophobicContact SD-CE1 3.84Å; F752-S755 PolarHBondContact O-N 3.46Å; F752-M756 HydrophobicContact CD1-CG 4.44Å; F752-M756 HydrophobicContact CD1-SD 4.19Å; F752-M756 HydrophobicContact CE1-CG 3.9Å; F752-M756 HydrophobicContact CE1-SD 3.29Å; F752-M756 WeakPolarHBondContact CE1-SD 3.47Å; F752-M756 HydrophobicContact CE2-CG 4.06Å; F752-M756 HydrophobicContact CE2-SD 4.32Å; F752-M756 HydrophobicContact CZ-CG 3.68Å; F752-M756 HydrophobicContact CZ-SD 3.36Å; F752-M756 WeakPolarHBondContact CZ-SD 3.32Å; F752-M756 PolarHBondContact O-N 2.91Å; F752-I761 HydrophobicContact CD2-CD1 3.74Å; F752-I761 HydrophobicContact CE2-CD1 3.44Å; F752-I761 VanDerWaalsContact CE2-CD1 3.44Å; F752-I761 HydrophobicContact CZ-CD1 4.34Å; F752-L796 HydrophobicContact CE2-CD1 3.99Å; F752-L796 HydrophobicContact CE2-CD2 3.92Å; F752-L796 HydrophobicContact CZ-CD1 3.55Å; F752-L796 HydrophobicContact CZ-CD2 4.24Å
753	E	77.5	Confident	66.6	Low	16 Å²	16	59.1 Å²	59.1	8%	0.075	33%	0.328	C	S	.	.	H	α-helix	trans	-56.9	-51.5	177.1	-67.5	178.5	-156.5	0	0	112.5	Y595 N751 S755 M756 L757 R863 L1030 L1033	Y595-E753 VanDerWaalsContact CD2-OE1 3.3Å; Y595-E753 WeakPolarHBondContact CD2-OE1 3.1Å; Y595-E753 WeakPolarHBondContact CE2-OE1 3.45Å; N751-E753 PolarHBondContact O-N 2.8Å; E753-S755 PolarHBondContact O-N 3.03Å; E753-M756 PolarHBondContact O-N 2.84Å; E753-L757 VanDerWaalsContact O-CB 3.29Å; E753-L757 WeakPolarHBondContact O-CB 3.28Å; E753-L757 VanDerWaalsContact O-CG 3.29Å; E753-L757 WeakPolarHBondContact O-CG 3.37Å; E753-L757 PolarHBondContact O-N 2.7Å; E753-R863 IonicContact OE1-CZ 3.67Å; E753-R863 IonicContact OE1-NE 3.44Å; E753-R863 IonicContact OE1-NH2 3.56Å; E753-R863 IonicContact OE2-CZ 2.78Å; E753-R863 VanDerWaalsContact OE2-CZ 3.28Å; E753-R863 IonicContact OE2-NE 3.29Å; E753-R863 PolarHBondContact OE2-NE 2.87Å; E753-R863 IonicContact OE2-NH2 3.73Å; E753-R863 PolarHBondContact OE2-NH2 2.76Å; E753-L1030 HydrophobicContact CG-CD2 3.93Å; E753-L1033 HydrophobicContact CG-CD1 4.27Å; E753-L1033 WeakPolarHBondContact OE2-CD1 3.28Å
754	E	79.2	Confident	69.2	Low	44 Å²	44	60.8 Å²	60.8	21%	0.206	33%	0.326	C	S	.	.	H	α-helix	trans	-66.7	-26.1	-178.6	-169.2	61.4	-159.2	0	0	111.5	V750 N751 N758 R760 R861	V750-E754 HydrophobicContact CB-CB 4.32Å; V750-E754 HydrophobicContact CB-CG 4.37Å; V750-E754 HydrophobicContact CG1-CB 3.88Å; V750-E754 HydrophobicContact CG1-CG 3.91Å; N751-E754 PolarHBondContact O-N 2.98Å; N751-E754 WeakPolarHBondContact OD1-CB 3.31Å; N751-E754 PolarHBondContact OD1-N 3.08Å; E754-N758 VanDerWaalsContact CD-ND2 3.27Å; E754-N758 WeakPolarHBondContact CG-ND2 3.34Å; E754-N758 WeakPolarHBondContact O-CB 3.38Å; E754-N758 PolarHBondContact O-N 3.07Å; E754-N758 PolarHBondContact O-ND2 2.92Å; E754-N758 PolarHBondContact OE1-ND2 3.1Å; E754-R760 PolarHBondContact O-NH1 2.91Å; E754-R861 IonicContact OE1-NH2 2.98Å; E754-R861 IonicContact OE2-CZ 3.28Å; E754-R861 IonicContact OE2-NH1 3.51Å; E754-R861 PolarHBondContact OE2-NH1 2.87Å; E754-R861 IonicContact OE2-NH2 3.94Å; E754-R861 PolarHBondContact OE2-NH2 2.65Å
755	S	76.2	Confident	71.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-81.6	-37.3	177.3	-63.9	0	0	0	0	112.6	L748 V750 N751 F752 E753 G759 R760	L748-S755 VanDerWaalsContact CD2-CB 3.42Å; V750-S755 PolarHBondContact O-OG 3.1Å; V750-S755 VanDerWaalsContact O-OG 3.13Å; N751-S755 WeakPolarHBondContact O-CB 3.35Å; N751-S755 PolarHBondContact O-N 3.5Å; N751-S755 VanDerWaalsContact O-N 3.09Å; N751-S755 PolarHBondContact O-OG 2.87Å; N751-S755 VanDerWaalsContact O-OG 3.12Å; F752-S755 PolarHBondContact O-N 3.46Å; E753-S755 PolarHBondContact O-N 3.03Å; S755-G759 PolarHBondContact O-N 3.45Å; S755-R760 WeakPolarHBondContact O-CB 3.4Å; S755-R760 PolarHBondContact O-N 3.16Å; S755-R760 PolarHBondContact OG-NH1 2.84Å
756	M	82.3	Confident	74.1	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-55.3	164.7	-77.8	-168	76.9	0	0	110.9	F752 E753 N758 G759 I761 F794 P804 L806 I1055	F752-M756 HydrophobicContact CD1-CG 4.44Å; F752-M756 HydrophobicContact CD1-SD 4.19Å; F752-M756 HydrophobicContact CE1-CG 3.9Å; F752-M756 HydrophobicContact CE1-SD 3.29Å; F752-M756 WeakPolarHBondContact CE1-SD 3.47Å; F752-M756 HydrophobicContact CE2-CG 4.06Å; F752-M756 HydrophobicContact CE2-SD 4.32Å; F752-M756 HydrophobicContact CZ-CG 3.68Å; F752-M756 HydrophobicContact CZ-SD 3.36Å; F752-M756 WeakPolarHBondContact CZ-SD 3.32Å; F752-M756 PolarHBondContact O-N 2.91Å; E753-M756 PolarHBondContact O-N 2.84Å; M756-N758 PolarHBondContact O-N 3.41Å; M756-G759 PolarHBondContact O-N 2.79Å; M756-I761 HydrophobicContact CG-CD1 3.82Å; M756-F794 HydrophobicContact CE-CD2 3.93Å; M756-F794 HydrophobicContact CE-CE2 3.54Å; M756-F794 HydrophobicContact CE-CZ 4.25Å; M756-P804 HydrophobicContact CE-CG 4.04Å; M756-P804 HydrophobicContact SD-CG 4.12Å; M756-L806 HydrophobicContact CE-CB 4.03Å; M756-L806 WeakPolarHBondContact O-CD2 3.5Å; M756-I1055 HydrophobicContact CB-CD1 4.21Å; M756-I1055 HydrophobicContact CE-CD1 4.47Å; M756-I1055 HydrophobicContact CE-CG1 4.49Å; M756-I1055 HydrophobicContact CE-CG2 4.07Å; M756-I1055 HydrophobicContact SD-CD1 4.03Å; M756-I1055 HydrophobicContact SD-CG2 4.27Å
757	L	86.1	Confident	76.2	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-31.8	-173.4	-76.8	172.8	0	0	0	113	E753 L806 L1033 H1035 R1053 I1055	E753-L757 VanDerWaalsContact O-CB 3.29Å; E753-L757 WeakPolarHBondContact O-CB 3.28Å; E753-L757 VanDerWaalsContact O-CG 3.29Å; E753-L757 WeakPolarHBondContact O-CG 3.37Å; E753-L757 PolarHBondContact O-N 2.7Å; L757-L806 HydrophobicContact CD2-CD1 4.42Å; L757-L1033 HydrophobicContact CD1-CD2 3.95Å; L757-L1033 HydrophobicContact CD2-CD2 4.15Å; L757-H1035 HydrophobicContact CD1-CB 4.42Å; L757-H1035 HydrophobicContact CD2-CB 4.01Å; L757-R1053 HydrophobicContact CD2-CB 3.88Å; L757-R1053 VanDerWaalsContact O-CD 3.29Å; L757-R1053 WeakPolarHBondContact O-CD 3.46Å; L757-R1053 PolarHBondContact O-NH1 2.88Å; L757-I1055 HydrophobicContact CD2-CD1 4.3Å; L757-I1055 HydrophobicContact CD2-CG1 4.33Å; L757-I1055 HydrophobicContact CG-CD1 4.22Å
758	N	84.3	Confident	78.4	Confident	71 Å²	71	52 Å²	52	38%	0.38	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	1.2	176.6	-71.9	-57.3	0	0	0	114.8	E754 M756 R760	E754-N758 VanDerWaalsContact CD-ND2 3.27Å; E754-N758 WeakPolarHBondContact CG-ND2 3.34Å; E754-N758 WeakPolarHBondContact O-CB 3.38Å; E754-N758 PolarHBondContact O-N 3.07Å; E754-N758 PolarHBondContact O-ND2 2.92Å; E754-N758 PolarHBondContact OE1-ND2 3.1Å; M756-N758 PolarHBondContact O-N 3.41Å; N758-R760 VanDerWaalsContact C-N 3.32Å; N758-R760 HydrophobicContact CB-CG 4.3Å
759	G	81.3	Confident	80.4	Confident	27 Å²	27	52.7 Å²	52.7	28%	0.278	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	26.1	-177.3	0	0	0	0	0	113.8	S755 M756	S755-G759 PolarHBondContact O-N 3.45Å; M756-G759 PolarHBondContact O-N 2.79Å
760	R	80	Confident	82.5	Confident	79 Å²	79	45.7 Å²	45.7	30%	0.298	26%	0.257	S	S	.	.			trans	-73.2	-18.3	172.4	-57.1	-169.5	-168.2	105.2	6.8	112.3	H747 E754 S755 N758	H747-R760 PolarHBondContact ND1-O 2.82Å; E754-R760 PolarHBondContact O-NH1 2.91Å; S755-R760 WeakPolarHBondContact O-CB 3.4Å; S755-R760 PolarHBondContact O-N 3.16Å; S755-R760 PolarHBondContact OG-NH1 2.84Å; N758-R760 VanDerWaalsContact C-N 3.32Å; N758-R760 HydrophobicContact CB-CG 4.3Å
761	I	81.9	Confident	84.1	Confident	26 Å²	26	43.6 Å²	43.6	13%	0.133	25%	0.245	C	C	.	.	S	Bend	trans	-98.8	127.3	175.7	-48.8	-174.7	0	0	0	107.6	L748 F752 M756 F794 L796	L748-I761 HydrophobicContact CD2-CD1 4.37Å; F752-I761 HydrophobicContact CD2-CD1 3.74Å; F752-I761 HydrophobicContact CE2-CD1 3.44Å; F752-I761 VanDerWaalsContact CE2-CD1 3.44Å; F752-I761 HydrophobicContact CZ-CD1 4.34Å; M756-I761 HydrophobicContact CG-CD1 3.82Å; I761-F794 HydrophobicContact CB-CD1 4.19Å; I761-F794 HydrophobicContact CB-CE1 4.19Å; I761-F794 HydrophobicContact CG2-CD1 3.67Å; I761-F794 HydrophobicContact CG2-CE1 4.17Å; I761-F794 HydrophobicContact CG2-CG 4.48Å; I761-F794 WeakPolarHBondContact O-CE1 3.22Å; I761-L796 HydrophobicContact CG2-CD2 4.39Å
762	H	81.7	Confident	85.4	Confident	105 Å²	105	41 Å²	41	49%	0.486	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-73.3	127.1	177	-107	-83.6	0	0	0	110.6	M735 F794	M735-H762 PolarHBondContact O-CE1 3.4Å; M735-H762 PolarHBondContact O-NE2 3.21Å; H762-F794 WeakPolarHBondContact O-CD1 3.21Å
763	P	88.2	Confident	86.7	Confident	30 Å²	30	41.8 Å²	41.8	20%	0.195	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-73.5	145.2	172.4	32	-34.6	0	0	0	110.6	M735 Y792 F793 F794	M735-P763 HydrophobicContact CE-CG 3.68Å; P763-Y792 HydrophobicContact CB-CD1 4.02Å; P763-Y792 HydrophobicContact CB-CG 4.36Å; P763-Y792 HydrophobicContact CG-CD1 3.95Å; P763-Y792 HydrophobicContact CG-CG 4.49Å; P763-F793 CarbonylContact C-O 3.48Å; P763-F793 VanDerWaalsContact CA-O 3.28Å; P763-F793 WeakPolarHBondContact CA-O 3.2Å; P763-F793 WeakPolarHBondContact CB-O 3.36Å; P763-F794 HydrophobicContact CB-CD1 4.22Å; P763-F794 HydrophobicContact CB-CE1 3.84Å; P763-F794 HydrophobicContact CB-CZ 4.28Å
764	V	86.4	Confident	87.6	Confident	97 Å²	97	41 Å²	41	59%	0.588	23%	0.232	S	C	*	.	S	Bend	trans	-79.4	-30.2	173	175.3	0	0	0	0	110.6	F793 N795	V764-F793 HydrophobicContact CB-CD2 4.1Å; V764-F793 HydrophobicContact CB-CE2 3.78Å; V764-F793 HydrophobicContact CG1-CE2 3.72Å; V764-F793 HydrophobicContact CG1-CZ 4.37Å; V764-F793 PolarHBondContact N-O 3.46Å; V764-N795 HydrophobicContact CG2-CB 3.81Å
765	G	89.1	Confident	88.4	Confident	22 Å²	22	39 Å²	39	23%	0.227	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	-173.3	175.5	0	0	0	0	0	113.2	Y792 F793	G765-Y792 WeakPolarHBondContact O-CA 3.2Å; G765-F793 VanDerWaalsContact C-CD1 3.48Å; G765-F793 VanDerWaalsContact C-CE1 3.48Å; G765-F793 VanDerWaalsContact CA-CE1 3.45Å; G765-F793 PolarHBondContact N-O 3.04Å; G765-F793 PolarHBondContact O-N 2.89Å
766	Q	90.9	Very high	89.4	Confident	60 Å²	60	39.1 Å²	39.1	28%	0.28	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	138.2	-179.6	-163.4	-152.4	-73.6	0	0	108.7	E768 K790 A791 Y792	Q766-E768 PolarHBondContact NE2-OE1 3.45Å; Q766-K790 HydrophobicContact CG-CB 4.16Å; Q766-A791 CarbonylContact C-O 3.55Å; Q766-A791 WeakPolarHBondContact CA-O 3.32Å; Q766-Y792 HydrophobicContact CB-CD1 3.83Å; Q766-Y792 HydrophobicContact CB-CE1 3.77Å; Q766-Y792 HydrophobicContact CG-CD1 3.69Å; Q766-Y792 HydrophobicContact CG-CE1 3.46Å; Q766-Y792 VanDerWaalsContact CG-CE1 3.46Å; Q766-Y792 HydrophobicContact CG-CG 4.32Å; Q766-Y792 PolarHBondContact OE1-OH 3.48Å; Q766-Y792 VanDerWaalsContact OE1-OH 3.12Å
767	V	90.2	Very high	90.1	Very high	43 Å²	43	40.9 Å²	40.9	26%	0.261	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	137.5	167.5	-171.1	0	0	0	0	108	F770 A791 F793 Y805	V767-F770 HydrophobicContact CB-CD2 4.42Å; V767-F770 HydrophobicContact CB-CE2 4.11Å; V767-F770 HydrophobicContact CG1-CD2 4.2Å; V767-F770 HydrophobicContact CG1-CE2 3.81Å; V767-A791 HydrophobicContact CB-CB 4.38Å; V767-A791 PolarHBondContact N-O 3.33Å; V767-A791 PolarHBondContact O-N 3.48Å; V767-F793 HydrophobicContact CG2-CD1 4.17Å; V767-Y805 HydrophobicContact CG2-CE1 3.74Å
768	E	88.9	Confident	90.5	Very high	125 Å²	125	42.3 Å²	42.3	58%	0.584	25%	0.251	S	S	*	.			trans	-103.1	-177.3	178.4	-51.3	-131.5	118.6	0	0	110.3	Q766 F770 K790 P835	Q766-E768 PolarHBondContact NE2-OE1 3.45Å; E768-F770 PolarHBondContact O-N 2.89Å; E768-F770 VanDerWaalsContact O-N 3.13Å; E768-K790 IonicContact OE1-NZ 3.63Å; E768-K790 PolarHBondContact OE1-NZ 2.94Å; E768-P835 WeakPolarHBondContact O-CG 3.34Å
769	G	92.2	Very high	91	Very high	52 Å²	52	43.6 Å²	43.6	54%	0.536	27%	0.266	S	S	.	.			trans	80.9	-24.9	179	0	0	0	0	0	115.9	S771	G769-S771 PolarHBondContact O-N 2.98Å
770	F	95.2	Very high	91.7	Very high	17 Å²	17	45.7 Å²	45.7	8%	0.075	27%	0.267	C	S	.	.			trans	-55.5	138.5	170	-76.6	-91.9	0	0	0	111	V767 E768 M789 A791 Y805 L832 F833 N834 P835 V840 F1056	V767-F770 HydrophobicContact CB-CD2 4.42Å; V767-F770 HydrophobicContact CB-CE2 4.11Å; V767-F770 HydrophobicContact CG1-CD2 4.2Å; V767-F770 HydrophobicContact CG1-CE2 3.81Å; E768-F770 PolarHBondContact O-N 2.89Å; E768-F770 VanDerWaalsContact O-N 3.13Å; F770-M789 HydrophobicContact CB-CB 4.12Å; F770-M789 HydrophobicContact CB-CG 4.4Å; F770-M789 WeakPolarHBondContact CB-O 3.49Å; F770-M789 PolarHBondContact O-N 2.82Å; F770-M789 VanDerWaalsContact O-O 3.13Å; F770-A791 HydrophobicContact CD2-CB 3.63Å; F770-A791 HydrophobicContact CE2-CB 3.85Å; F770-A791 HydrophobicContact CG-CB 4.15Å; F770-Y805 HydrophobicContact CZ-CE2 4.35Å; F770-L832 HydrophobicContact CD1-CD1 4.3Å; F770-F833 WeakPolarHBondContact CA-O 3.31Å; F770-F833 WeakPolarHBondContact CD1-O 3.26Å; F770-N834 HydrophobicContact CE1-CB 4.25Å; F770-P835 HydrophobicContact CD2-CG 3.84Å; F770-P835 HydrophobicContact CE2-CG 3.88Å; F770-P835 HydrophobicContact CG-CG 4.37Å; F770-P835 HydrophobicContact CZ-CG 4.44Å; F770-V840 HydrophobicContact CE1-CG2 4.42Å; F770-F1056 HydrophobicContact CD1-CE2 4.24Å; F770-F1056 AromaticContact CD1-CZ 3.98Å; F770-F1056 HydrophobicContact CD1-CZ 3.98Å; F770-F1056 AromaticContact CE1-CE2 3.56Å; F770-F1056 HydrophobicContact CE1-CE2 3.56Å; F770-F1056 AromaticContact CE1-CZ 3.75Å; F770-F1056 HydrophobicContact CE1-CZ 3.75Å; F770-F1056 AromaticContact CZ-CE2 3.91Å; F770-F1056 HydrophobicContact CZ-CE2 3.91Å; F770-F1056 HydrophobicContact CZ-CZ 4.16Å
771	S	96.1	Very high	92.4	Very high	19 Å²	19	50.2 Å²	50.2	13%	0.133	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157.5	175.6	56.8	0	0	0	0	110.9	G769 R786 L787 F833	G769-S771 PolarHBondContact O-N 2.98Å; S771-R786 PolarHBondContact OG-NE 2.9Å; S771-R786 PolarHBondContact OG-NH2 3.21Å; S771-L787 WeakPolarHBondContact CA-O 3.22Å; S771-F833 PolarHBondContact N-O 2.72Å; S771-F833 VanDerWaalsContact N-O 3.12Å; S771-F833 PolarHBondContact O-N 3.09Å
772	I	96.7	Very high	92.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.4	-176.2	-172.5	168.3	0	0	0	108.9	R786 L787 M789 A809 L830 T831 L1052 L1054	I772-R786 CarbonylContact O-C 3.39Å; I772-R786 WeakPolarHBondContact O-CA 3.22Å; I772-L787 HydrophobicContact CG2-CB 3.81Å; I772-L787 PolarHBondContact N-O 3.44Å; I772-L787 PolarHBondContact O-N 2.68Å; I772-M789 HydrophobicContact CB-CB 4.43Å; I772-M789 HydrophobicContact CB-CE 4.35Å; I772-M789 HydrophobicContact CD1-CE 3.59Å; I772-M789 HydrophobicContact CD1-SD 4.32Å; I772-M789 HydrophobicContact CG2-CB 4.29Å; I772-M789 HydrophobicContact CG2-CE 4.17Å; I772-A809 HydrophobicContact CG2-CB 3.85Å; I772-L830 HydrophobicContact CD1-CD1 3.96Å; I772-L830 HydrophobicContact CD1-CD2 3.72Å; I772-L830 HydrophobicContact CD1-CG 3.76Å; I772-L830 HydrophobicContact CG1-CD2 4.12Å; I772-L830 HydrophobicContact CG1-CG 4.03Å; I772-T831 WeakPolarHBondContact CA-O 3.46Å; I772-L1052 HydrophobicContact CD1-CD1 3.89Å; I772-L1054 HydrophobicContact CD1-CD1 3.72Å
773	E	96.8	Very high	93.4	Very high	41 Å²	41	51.4 Å²	51.4	19%	0.192	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140	168.3	-171.5	-178.4	138.1	0	0	109.7	H784 I785 L830 T831 F833	E773-H784 HydrophobicContact CG-CB 4.41Å; E773-H784 IonicContact OE1-CE1 3.62Å; E773-H784 IonicContact OE1-CG 2.75Å; E773-H784 IonicContact OE1-ND1 2.78Å; E773-H784 PolarHBondContact OE1-ND1 2.79Å; E773-I785 CarbonylContact C-O 3.56Å; E773-I785 WeakPolarHBondContact CA-O 3.45Å; E773-L830 CarbonylContact O-C 3.56Å; E773-L830 VanDerWaalsContact O-CA 3.31Å; E773-L830 WeakPolarHBondContact O-CA 3.3Å; E773-T831 PolarHBondContact N-O 2.77Å; E773-T831 PolarHBondContact O-N 3.43Å; E773-F833 HydrophobicContact CB-CE2 3.84Å
774	L	96.5	Very high	93.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	118.1	179	-179	77.3	0	0	0	109.2	H784 I785 L811 Y820 I828 Q829 L830 L1048 L1052	L774-H784 WeakPolarHBondContact O-CA 3.12Å; L774-I785 HydrophobicContact CB-CG1 4.01Å; L774-I785 HydrophobicContact CD2-CD1 4.14Å; L774-I785 HydrophobicContact CD2-CG1 4.38Å; L774-I785 PolarHBondContact N-O 3.49Å; L774-I785 PolarHBondContact O-N 3.18Å; L774-L811 HydrophobicContact CD2-CD2 4.37Å; L774-Y820 HydrophobicContact CD2-CD1 3.47Å; L774-Y820 VanDerWaalsContact CD2-CD1 3.47Å; L774-Y820 HydrophobicContact CD2-CD2 4.46Å; L774-Y820 HydrophobicContact CD2-CE1 3.96Å; L774-Y820 HydrophobicContact CD2-CG 3.75Å; L774-Y820 HydrophobicContact CG-CD1 4.06Å; L774-Y820 HydrophobicContact CG-CE1 4.04Å; L774-Y820 PolarHBondContact O-OH 3.07Å; L774-I828 HydrophobicContact CD1-CG2 3.7Å; L774-Q829 WeakPolarHBondContact CA-O 3.35Å; L774-L830 HydrophobicContact CD1-CB 4.38Å; L774-L830 HydrophobicContact CD1-CD1 4.16Å; L774-L1048 HydrophobicContact CD1-CD1 4.07Å; L774-L1048 HydrophobicContact CD2-CD1 4.01Å; L774-L1052 HydrophobicContact CD1-CD1 4.46Å; L774-L1052 HydrophobicContact CD2-CD1 4.35Å
775	G	96.2	Very high	94.1	Very high	1 Å²	1	51 Å²	51	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	167.3	170.4	0	0	0	0	0	111.4	H784 Q829	G775-H784 VanDerWaalsContact CA-CD2 3.45Å; G775-H784 WeakPolarHBondContact CA-CD2 3.13Å; G775-Q829 PolarHBondContact N-O 3.26Å; G775-Q829 PolarHBondContact O-N 3.46Å
776	A	96.8	Very high	94.4	Very high	2 Å²	2	56.6 Å²	56.6	2%	0.017	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154.6	170.3	0	0	0	0	0	111.9	P782 Y820 I822 S827 I828	A776-P782 HydrophobicContact CB-CG 4.1Å; A776-P782 WeakPolarHBondContact O-CD 3.39Å; A776-Y820 HydrophobicContact CB-CE1 4.19Å; A776-I822 HydrophobicContact CB-CB 4.43Å; A776-I822 HydrophobicContact CB-CG2 3.77Å; A776-S827 CarbonylContact C-O 3.58Å; A776-S827 VanDerWaalsContact CA-O 3.27Å; A776-S827 WeakPolarHBondContact CA-O 3.42Å; A776-S827 WeakPolarHBondContact CB-O 3.23Å; A776-I828 HydrophobicContact CB-CG1 4.15Å
777	S	96.3	Very high	94.6	Very high	39 Å²	39	54.7 Å²	54.7	27%	0.273	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	158.6	-179	-55.5	0	0	0	0	110.3	G826 S827	S777-G826 WeakPolarHBondContact O-CA 3.31Å; S777-S827 PolarHBondContact N-O 2.73Å; S777-S827 PolarHBondContact O-N 3.46Å; S777-S827 VanDerWaalsContact O-N 3.08Å
778	G	94.8	Very high	94.8	Very high	31 Å²	31	57.3 Å²	57.3	32%	0.32	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	148.9	-137.3	-178.5	0	0	0	0	0	111.3	F780	G778-F780 PolarHBondContact O-N 3.3Å
779	S	94.3	Very high	95.1	Very high	99 Å²	99	51.5 Å²	51.5	69%	0.692	28%	0.283	S	S	*	.	S	Bend	trans	-62.3	-9.2	179	63	0	0	0	0	115.3
780	F	96.2	Very high	95.2	Very high	71 Å²	71	52.7 Å²	52.7	31%	0.311	27%	0.274	S	S	.	.	S	Bend	trans	-161.2	163.1	165.8	57.7	-94.8	0	0	0	108.3	G778 P782 H821 I822 P823	G778-F780 PolarHBondContact O-N 3.3Å; F780-P782 HydrophobicContact CD2-CG 4.21Å; F780-P782 HydrophobicContact CE2-CB 4.36Å; F780-P782 HydrophobicContact CE2-CG 3.98Å; F780-H821 AromaticContact CE1-CE1 3.94Å; F780-H821 AromaticContact CE2-CE1 3.73Å; F780-H821 AromaticContact CE2-ND1 3.49Å; F780-H821 WeakPolarHBondContact CE2-ND1 3.27Å; F780-H821 AromaticContact CZ-CE1 3.2Å; F780-H821 WeakPolarHBondContact CZ-CE1 3.39Å; F780-H821 AromaticContact CZ-ND1 3.42Å; F780-H821 WeakPolarHBondContact CZ-ND1 3.3Å; F780-I822 WeakPolarHBondContact CZ-O 3.29Å; F780-P823 HydrophobicContact CD1-CG 4.24Å; F780-P823 HydrophobicContact CD2-CG 4.18Å; F780-P823 HydrophobicContact CE1-CB 4.42Å; F780-P823 HydrophobicContact CE1-CG 4.21Å; F780-P823 HydrophobicContact CE2-CG 4.15Å; F780-P823 HydrophobicContact CG-CG 4.22Å; F780-P823 HydrophobicContact CZ-CG 4.17Å; F780-P823 VanDerWaalsContact CZ-N 3.32Å; F780-P823 WeakPolarHBondContact O-CG 3.4Å
781	Y	94.2	Very high	95.1	Very high	174 Å²	174	51.9 Å²	51.9	68%	0.682	27%	0.27	S	S	*	.			trans	-109.5	109.2	177.3	-56.5	-90	0	0	0	107.7
782	P	93.6	Very high	95	Very high	18 Å²	18	52.7 Å²	52.7	12%	0.117	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-79.5	140.3	170.6	15.9	0.3	0	0	0	109.2	A776 F780 H784 Y820 H821	A776-P782 HydrophobicContact CB-CG 4.1Å; A776-P782 WeakPolarHBondContact O-CD 3.39Å; F780-P782 HydrophobicContact CD2-CG 4.21Å; F780-P782 HydrophobicContact CE2-CB 4.36Å; F780-P782 HydrophobicContact CE2-CG 3.98Å; P782-H784 PolarHBondContact O-N 2.93Å; P782-Y820 HydrophobicContact CB-CE2 4.32Å; P782-Y820 HydrophobicContact CG-CE1 4.24Å; P782-Y820 PolarHBondContact O-OH 3.16Å; P782-Y820 VanDerWaalsContact O-OH 3.09Å; P782-H821 VanDerWaalsContact CB-O 3.3Å; P782-H821 WeakPolarHBondContact CB-O 3.2Å; P782-H821 WeakPolarHBondContact CG-O 3.31Å
783	N	92.9	Very high	94.6	Very high	138 Å²	138	55.1 Å²	55.1	74%	0.738	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-46.7	138.1	177.6	-54.3	61.9	0	0	0	111.3	Y820	N783-Y820 VanDerWaalsContact O-CE2 3.27Å; N783-Y820 WeakPolarHBondContact O-CE2 3.49Å; N783-Y820 PolarHBondContact O-OH 2.92Å
784	H	94.3	Very high	94	Very high	87 Å²	87	53.5 Å²	53.5	40%	0.403	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-62.9	146.3	173.4	-74.8	-154.4	0	0	0	110.2	E773 L774 G775 P782	E773-H784 HydrophobicContact CG-CB 4.41Å; E773-H784 IonicContact OE1-CE1 3.62Å; E773-H784 IonicContact OE1-CG 2.75Å; E773-H784 IonicContact OE1-ND1 2.78Å; E773-H784 PolarHBondContact OE1-ND1 2.79Å; L774-H784 WeakPolarHBondContact O-CA 3.12Å; G775-H784 VanDerWaalsContact CA-CD2 3.45Å; G775-H784 WeakPolarHBondContact CA-CD2 3.13Å; P782-H784 PolarHBondContact O-N 2.93Å
785	I	94.8	Very high	93.2	Very high	32 Å²	32	57.8 Å²	57.8	16%	0.164	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.3	175.9	55.7	165.2	0	0	0	110.5	E773 L774 L787 L814 Y820	E773-I785 CarbonylContact C-O 3.56Å; E773-I785 WeakPolarHBondContact CA-O 3.45Å; L774-I785 HydrophobicContact CB-CG1 4.01Å; L774-I785 HydrophobicContact CD2-CD1 4.14Å; L774-I785 HydrophobicContact CD2-CG1 4.38Å; L774-I785 PolarHBondContact N-O 3.49Å; L774-I785 PolarHBondContact O-N 3.18Å; I785-L787 HydrophobicContact CD1-CD1 4.12Å; I785-L787 HydrophobicContact CD1-CG 4.36Å; I785-L814 HydrophobicContact CD1-CD1 3.6Å; I785-L814 HydrophobicContact CD1-CD2 3.59Å; I785-L814 HydrophobicContact CD1-CG 4.18Å; I785-L814 HydrophobicContact CG2-CD2 4.34Å; I785-Y820 HydrophobicContact CD1-CD2 3.45Å; I785-Y820 VanDerWaalsContact CD1-CD2 3.45Å; I785-Y820 HydrophobicContact CD1-CE2 3.95Å; I785-Y820 HydrophobicContact CD1-CG 4.02Å; I785-Y820 HydrophobicContact CG1-CD2 3.83Å; I785-Y820 HydrophobicContact CG1-CE2 3.76Å; I785-Y820 HydrophobicContact CG2-CD2 4.4Å; I785-Y820 HydrophobicContact CG2-CE2 4.09Å
786	R	95	Very high	92.1	Very high	138 Å²	138	61 Å²	61	52%	0.521	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.1	170.4	-162.5	168.3	-179.5	157.1	0.3	109.7	S771 I772	S771-R786 PolarHBondContact OG-NE 2.9Å; S771-R786 PolarHBondContact OG-NH2 3.21Å; I772-R786 CarbonylContact O-C 3.39Å; I772-R786 WeakPolarHBondContact O-CA 3.22Å
787	L	94.1	Very high	90.7	Very high	21 Å²	21	61.7 Å²	61.7	11%	0.11	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.2	-177.8	-60.7	173.2	0	0	0	110.1	S771 I772 I785 A809 L811 L814	S771-L787 WeakPolarHBondContact CA-O 3.22Å; I772-L787 HydrophobicContact CG2-CB 3.81Å; I772-L787 PolarHBondContact N-O 3.44Å; I772-L787 PolarHBondContact O-N 2.68Å; I785-L787 HydrophobicContact CD1-CD1 4.12Å; I785-L787 HydrophobicContact CD1-CG 4.36Å; L787-A809 HydrophobicContact CB-CB 4.47Å; L787-L811 HydrophobicContact CD1-CD2 3.77Å; L787-L814 HydrophobicContact CD2-CD2 4.22Å
788	P	95.1	Very high	88.9	Confident	98 Å²	98	67.1 Å²	67.1	64%	0.636	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.4	167.5	29.7	-33.3	0	0	0	110.1
789	M	94.7	Very high	87.2	Confident	3 Å²	3	71.6 Å²	71.6	2%	0.015	36%	0.36	C	S	.	.			trans	-110.6	127.6	173.7	174.9	144.5	-73	0	0	109.9	F770 I772 A809 L832 L1054	F770-M789 HydrophobicContact CB-CB 4.12Å; F770-M789 HydrophobicContact CB-CG 4.4Å; F770-M789 WeakPolarHBondContact CB-O 3.49Å; F770-M789 PolarHBondContact O-N 2.82Å; F770-M789 VanDerWaalsContact O-O 3.13Å; I772-M789 HydrophobicContact CB-CB 4.43Å; I772-M789 HydrophobicContact CB-CE 4.35Å; I772-M789 HydrophobicContact CD1-CE 3.59Å; I772-M789 HydrophobicContact CD1-SD 4.32Å; I772-M789 HydrophobicContact CG2-CB 4.29Å; I772-M789 HydrophobicContact CG2-CE 4.17Å; M789-A809 HydrophobicContact CE-CB 3.7Å; M789-L832 HydrophobicContact SD-CD1 3.72Å; M789-L1054 HydrophobicContact CE-CD1 3.93Å; M789-L1054 HydrophobicContact SD-CD1 4.36Å
790	K	93.9	Very high	85.4	Confident	77 Å²	77	74 Å²	74	34%	0.335	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118.6	171.7	-70.3	-179.1	162.8	-78.8	0	108.7	Q766 E768 Y792 G807 Y808	Q766-K790 HydrophobicContact CG-CB 4.16Å; E768-K790 IonicContact OE1-NZ 3.63Å; E768-K790 PolarHBondContact OE1-NZ 2.94Å; K790-Y792 HydrophobicContact CB-CE2 3.89Å; K790-G807 CarbonylContact O-C 3.58Å; K790-G807 WeakPolarHBondContact O-CA 3.47Å; K790-Y808 PolarHBondContact N-O 2.83Å; K790-Y808 PolarHBondContact O-N 3.12Å
791	A	94.4	Very high	83.7	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	101.5	-179.7	0	0	0	0	0	110.1	Q766 V767 F770 Y805 F1056	Q766-A791 CarbonylContact C-O 3.55Å; Q766-A791 WeakPolarHBondContact CA-O 3.32Å; V767-A791 HydrophobicContact CB-CB 4.38Å; V767-A791 PolarHBondContact N-O 3.33Å; V767-A791 PolarHBondContact O-N 3.48Å; F770-A791 HydrophobicContact CD2-CB 3.63Å; F770-A791 HydrophobicContact CE2-CB 3.85Å; F770-A791 HydrophobicContact CG-CB 4.15Å; A791-Y805 HydrophobicContact CB-CD1 4.19Å; A791-Y805 HydrophobicContact CB-CG 4.35Å; A791-F1056 HydrophobicContact CB-CZ 3.99Å
792	Y	92.8	Very high	82.3	Confident	36 Å²	36	65 Å²	65	14%	0.141	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	143.2	177.7	-67.2	-74.7	0	0	0	111.5	P763 G765 Q766 K790 Y805 L806	P763-Y792 HydrophobicContact CB-CD1 4.02Å; P763-Y792 HydrophobicContact CB-CG 4.36Å; P763-Y792 HydrophobicContact CG-CD1 3.95Å; P763-Y792 HydrophobicContact CG-CG 4.49Å; G765-Y792 WeakPolarHBondContact O-CA 3.2Å; Q766-Y792 HydrophobicContact CB-CD1 3.83Å; Q766-Y792 HydrophobicContact CB-CE1 3.77Å; Q766-Y792 HydrophobicContact CG-CD1 3.69Å; Q766-Y792 HydrophobicContact CG-CE1 3.46Å; Q766-Y792 VanDerWaalsContact CG-CE1 3.46Å; Q766-Y792 HydrophobicContact CG-CG 4.32Å; Q766-Y792 PolarHBondContact OE1-OH 3.48Å; Q766-Y792 VanDerWaalsContact OE1-OH 3.12Å; K790-Y792 HydrophobicContact CB-CE2 3.89Å; Y792-Y805 CarbonylContact O-C 3.48Å; Y792-Y805 VanDerWaalsContact O-CA 3.28Å; Y792-Y805 WeakPolarHBondContact O-CA 3.36Å; Y792-L806 PolarHBondContact N-O 3.13Å; Y792-L806 PolarHBondContact O-N 3.25Å
793	F	89	Confident	81.3	Confident	52 Å²	52	64.2 Å²	64.2	23%	0.228	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	157.3	178.1	75.3	-100	0	0	0	112.1	P763 V764 G765 V767 Y805	P763-F793 CarbonylContact C-O 3.48Å; P763-F793 VanDerWaalsContact CA-O 3.28Å; P763-F793 WeakPolarHBondContact CA-O 3.2Å; P763-F793 WeakPolarHBondContact CB-O 3.36Å; V764-F793 HydrophobicContact CB-CD2 4.1Å; V764-F793 HydrophobicContact CB-CE2 3.78Å; V764-F793 HydrophobicContact CG1-CE2 3.72Å; V764-F793 HydrophobicContact CG1-CZ 4.37Å; V764-F793 PolarHBondContact N-O 3.46Å; G765-F793 VanDerWaalsContact C-CD1 3.48Å; G765-F793 VanDerWaalsContact C-CE1 3.48Å; G765-F793 VanDerWaalsContact CA-CE1 3.45Å; G765-F793 PolarHBondContact N-O 3.04Å; G765-F793 PolarHBondContact O-N 2.89Å; V767-F793 HydrophobicContact CG2-CD1 4.17Å; F793-Y805 HydrophobicContact CB-CD1 3.83Å; F793-Y805 HydrophobicContact CB-CE1 3.84Å
794	F	84.7	Confident	81	Confident	6 Å²	6	58 Å²	58	3%	0.026	30%	0.299	C	S	.	.			trans	-127.7	164.3	-168	-52.7	-89.4	0	0	0	110.6	M756 I761 H762 P763 L796 S803 L806 R1058	M756-F794 HydrophobicContact CE-CD2 3.93Å; M756-F794 HydrophobicContact CE-CE2 3.54Å; M756-F794 HydrophobicContact CE-CZ 4.25Å; I761-F794 HydrophobicContact CB-CD1 4.19Å; I761-F794 HydrophobicContact CB-CE1 4.19Å; I761-F794 HydrophobicContact CG2-CD1 3.67Å; I761-F794 HydrophobicContact CG2-CE1 4.17Å; I761-F794 HydrophobicContact CG2-CG 4.48Å; I761-F794 WeakPolarHBondContact O-CE1 3.22Å; H762-F794 WeakPolarHBondContact O-CD1 3.21Å; P763-F794 HydrophobicContact CB-CD1 4.22Å; P763-F794 HydrophobicContact CB-CE1 3.84Å; P763-F794 HydrophobicContact CB-CZ 4.28Å; F794-L796 HydrophobicContact CB-CD2 3.92Å; F794-L796 HydrophobicContact CB-CG 4.1Å; F794-S803 PolarHBondContact N-OG 3.36Å; F794-S803 WeakPolarHBondContact O-CB 3.39Å; F794-S803 PolarHBondContact O-OG 2.88Å; F794-S803 VanDerWaalsContact O-OG 3.09Å; F794-L806 HydrophobicContact CE2-CB 3.66Å; F794-L806 HydrophobicContact CZ-CB 3.84Å; F794-L806 HydrophobicContact CZ-CD2 3.98Å; F794-R1058 PolarHBondContact O-NH2 3.09Å; F794-R1058 VanDerWaalsContact O-NH2 3.09Å
795	N	80	Confident	80.9	Confident	90 Å²	90	55.7 Å²	55.7	48%	0.481	29%	0.287	S	S	.	.			trans	-109.8	125.7	156.9	-177	3	0	0	0	106.9	V764 S797	V764-N795 HydrophobicContact CG2-CB 3.81Å; N795-S797 PolarHBondContact OD1-N 3.19Å; N795-S797 PolarHBondContact OD1-O 3.05Å
796	L	72.1	Confident	80.8	Confident	69 Å²	69	55 Å²	55	36%	0.361	28%	0.283	S	S	.	.			trans	-122.6	-11.2	-174.8	-58.2	178.6	0	0	0	112.9	F752 I761 F794	F752-L796 HydrophobicContact CE2-CD1 3.99Å; F752-L796 HydrophobicContact CE2-CD2 3.92Å; F752-L796 HydrophobicContact CZ-CD1 3.55Å; F752-L796 HydrophobicContact CZ-CD2 4.24Å; I761-L796 HydrophobicContact CG2-CD2 4.39Å; F794-L796 HydrophobicContact CB-CD2 3.92Å; F794-L796 HydrophobicContact CB-CG 4.1Å
797	S	66.9	Low	80.8	Confident	16 Å²	16	48.5 Å²	48.5	11%	0.112	26%	0.259	C	S	.	.			trans	-159.5	134.3	-173.4	57	0	0	0	0	109.3	S590 N795 D799 N800	S590-S797 WeakPolarHBondContact CB-OG 3.31Å; N795-S797 PolarHBondContact OD1-N 3.19Å; N795-S797 PolarHBondContact OD1-O 3.05Å; S797-D799 PolarHBondContact O-N 2.85Å; S797-N800 PolarHBondContact O-N 3.38Å
798	D	59.6	Low	80.8	Confident	153 Å²	153	48.7 Å²	48.7	82%	0.818	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.4	-178.1	-51.7	-62.1	0	0	0	113.1	N800	D798-N800 PolarHBondContact O-N 3.12Å
799	D	59.1	Low	80.8	Confident	126 Å²	126	44 Å²	44	67%	0.674	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	11.9	175.5	-58.4	-28.6	0	0	0	115.4	S797 A801	S797-D799 PolarHBondContact O-N 2.85Å; D799-A801 PolarHBondContact O-N 2.96Å
800	N	55.9	Low	80.7	Confident	149 Å²	149	45.5 Å²	45.5	80%	0.797	24%	0.236	S	C	*	.			trans	56	11.3	-176.9	-69.5	-50.1	0	0	0	116.7	S797 D798	S797-N800 PolarHBondContact O-N 3.38Å; D798-N800 PolarHBondContact O-N 3.12Å
801	A	59.8	Low	80.6	Confident	15 Å²	15	41.9 Å²	41.9	12%	0.124	22%	0.22	C	C	.	.			trans	-61.9	139.5	-175.5	0	0	0	0	0	113.2	S590 I591 D799 S803	S590-A801 WeakPolarHBondContact OG-CB 3.32Å; I591-A801 HydrophobicContact CG1-CB 4.21Å; D799-A801 PolarHBondContact O-N 2.96Å; A801-S803 PolarHBondContact O-N 2.93Å
802	P	65	Low	80.1	Confident	42 Å²	42	45.7 Å²	45.7	27%	0.273	24%	0.237	S	C	.	.			trans	-69.4	96.9	-175.6	27.2	-36.2	0	0	0	112.6	I591 R1058	I591-P802 HydrophobicContact CG1-CG 4.33Å; P802-R1058 HydrophobicContact CB-CB 4.4Å; P802-R1058 HydrophobicContact CB-CG 4.21Å
803	S	73.3	Confident	79.1	Confident	1 Å²	1	51 Å²	51	1%	0.007	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-51.3	150.2	171.4	86.4	0	0	0	0	111.6	F794 A801 R1058	F794-S803 PolarHBondContact N-OG 3.36Å; F794-S803 WeakPolarHBondContact O-CB 3.39Å; F794-S803 PolarHBondContact O-OG 2.88Å; F794-S803 VanDerWaalsContact O-OG 3.09Å; A801-S803 PolarHBondContact O-N 2.93Å; S803-R1058 WeakPolarHBondContact O-CD 3.46Å; S803-R1058 WeakPolarHBondContact O-CG 3.39Å; S803-R1058 PolarHBondContact O-NE 3Å; S803-R1058 PolarHBondContact OG-NH2 3.09Å
804	P	85.8	Confident	78.9	Confident	7 Å²	7	49.5 Å²	49.5	5%	0.045	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-56.5	152.4	167	27.9	-37.7	0	0	0	111.9	M593 M756 I1055 F1056	M593-P804 HydrophobicContact CE-CB 4.05Å; M593-P804 HydrophobicContact CE-CG 4.15Å; M593-P804 HydrophobicContact CG-CG 4.13Å; M593-P804 HydrophobicContact SD-CB 4.28Å; M593-P804 HydrophobicContact SD-CG 3.72Å; M756-P804 HydrophobicContact CE-CG 4.04Å; M756-P804 HydrophobicContact SD-CG 4.12Å; P804-I1055 HydrophobicContact CB-CG2 3.7Å; P804-I1055 HydrophobicContact CG-CG2 4.16Å; P804-F1056 CarbonylContact C-O 3.58Å; P804-F1056 WeakPolarHBondContact CA-O 3.09Å
805	Y	91.7	Very high	78.4	Confident	39 Å²	39	55 Å²	55	15%	0.153	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	141.3	166.1	-70.6	-61	0	0	0	110.6	V767 F770 A791 Y792 F793 I1055 F1056 R1058	V767-Y805 HydrophobicContact CG2-CE1 3.74Å; F770-Y805 HydrophobicContact CZ-CE2 4.35Å; A791-Y805 HydrophobicContact CB-CD1 4.19Å; A791-Y805 HydrophobicContact CB-CG 4.35Å; Y792-Y805 CarbonylContact O-C 3.48Å; Y792-Y805 VanDerWaalsContact O-CA 3.28Å; Y792-Y805 WeakPolarHBondContact O-CA 3.36Å; F793-Y805 HydrophobicContact CB-CD1 3.83Å; F793-Y805 HydrophobicContact CB-CE1 3.84Å; Y805-I1055 WeakPolarHBondContact O-CA 3.45Å; Y805-F1056 AromaticContact CD2-CD2 3.89Å; Y805-F1056 HydrophobicContact CD2-CD2 3.89Å; Y805-F1056 AromaticContact CD2-CE2 3.42Å; Y805-F1056 HydrophobicContact CD2-CE2 3.42Å; Y805-F1056 VanDerWaalsContact CD2-CE2 3.42Å; Y805-F1056 HydrophobicContact CD2-CZ 4.05Å; Y805-F1056 HydrophobicContact CE2-CE2 4.34Å; Y805-F1056 HydrophobicContact CG-CD2 4.44Å; Y805-F1056 AromaticContact CG-CE2 3.91Å; Y805-F1056 HydrophobicContact CG-CE2 3.91Å; Y805-F1056 HydrophobicContact CG-CZ 4.09Å; Y805-F1056 PolarHBondContact N-O 2.9Å; Y805-F1056 PolarHBondContact O-N 2.94Å; Y805-R1058 HydrophobicContact CD1-CG 4.49Å; Y805-R1058 HydrophobicContact CD2-CB 4.1Å; Y805-R1058 HydrophobicContact CD2-CG 3.76Å; Y805-R1058 HydrophobicContact CE1-CG 4.25Å; Y805-R1058 HydrophobicContact CE2-CB 3.59Å; Y805-R1058 HydrophobicContact CE2-CG 3.5Å; Y805-R1058 HydrophobicContact CG-CG 4.26Å
806	L	93.5	Very high	78.2	Confident	18 Å²	18	55.5 Å²	55.5	9%	0.094	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	101.3	164.9	178.3	71.2	0	0	0	108.7	M756 L757 Y792 F794 L1054 I1055	M756-L806 HydrophobicContact CE-CB 4.03Å; M756-L806 WeakPolarHBondContact O-CD2 3.5Å; L757-L806 HydrophobicContact CD2-CD1 4.42Å; Y792-L806 PolarHBondContact N-O 3.13Å; Y792-L806 PolarHBondContact O-N 3.25Å; F794-L806 HydrophobicContact CE2-CB 3.66Å; F794-L806 HydrophobicContact CZ-CB 3.84Å; F794-L806 HydrophobicContact CZ-CD2 3.98Å; L806-L1054 CarbonylContact C-O 3.52Å; L806-L1054 WeakPolarHBondContact CA-O 3.36Å; L806-I1055 HydrophobicContact CD1-CG1 4.07Å
807	G	94.7	Very high	78.5	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	134.4	172.2	0	0	0	0	0	112.1	K790 R1053 L1054	K790-G807 CarbonylContact O-C 3.58Å; K790-G807 WeakPolarHBondContact O-CA 3.47Å; G807-R1053 CarbonylContact O-C 3.59Å; G807-R1053 WeakPolarHBondContact O-CA 3.38Å; G807-L1054 PolarHBondContact N-O 3.42Å; G807-L1054 PolarHBondContact O-N 2.87Å
808	Y	94.6	Very high	79.3	Confident	25 Å²	25	63.2 Å²	63.2	10%	0.098	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.8	175.3	174.5	-81.8	0	0	0	111.1	L731 K790 D810 D1051	L731-Y808 HydrophobicContact CD1-CE1 4.06Å; L731-Y808 HydrophobicContact CD1-CE2 3.96Å; L731-Y808 VanDerWaalsContact CD1-CZ 3.5Å; L731-Y808 VanDerWaalsContact CD1-OH 3.23Å; L731-Y808 WeakPolarHBondContact CD1-OH 3.17Å; L731-Y808 HydrophobicContact CD2-CD1 3.76Å; L731-Y808 HydrophobicContact CD2-CD2 3.91Å; L731-Y808 HydrophobicContact CD2-CE1 3.6Å; L731-Y808 HydrophobicContact CD2-CE2 3.72Å; L731-Y808 HydrophobicContact CD2-CG 3.94Å; L731-Y808 HydrophobicContact CG-CE1 4.48Å; L731-Y808 HydrophobicContact CG-CE2 4.43Å; K790-Y808 PolarHBondContact N-O 2.83Å; K790-Y808 PolarHBondContact O-N 3.12Å; Y808-D810 HydrophobicContact CE1-CB 3.95Å; Y808-D1051 HydrophobicContact CD2-CB 4.06Å; Y808-D1051 HydrophobicContact CE1-CB 4.46Å; Y808-D1051 HydrophobicContact CE2-CB 3.32Å; Y808-D1051 WeakPolarHBondContact CE2-OD2 3.41Å
809	A	94.5	Very high	80.8	Confident	1 Å²	1	56 Å²	56	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.1	171.9	0	0	0	0	0	111.6	I772 L787 M789 D1051 L1052	I772-A809 HydrophobicContact CG2-CB 3.85Å; L787-A809 HydrophobicContact CB-CB 4.47Å; M789-A809 HydrophobicContact CE-CB 3.7Å; A809-D1051 CarbonylContact O-C 3.58Å; A809-D1051 WeakPolarHBondContact O-CA 3.28Å; A809-D1051 VanDerWaalsContact O-CB 3.23Å; A809-D1051 WeakPolarHBondContact O-CB 3.43Å; A809-L1052 HydrophobicContact CB-CB 4.46Å; A809-L1052 PolarHBondContact N-O 3.42Å; A809-L1052 VanDerWaalsContact N-O 3.08Å; A809-L1052 PolarHBondContact O-N 3.28Å
810	D	92.3	Very high	82.6	Confident	34 Å²	34	50.7 Å²	50.7	18%	0.182	26%	0.264	C	S	.	.			trans	-92.9	105.6	-169.7	-171.6	8.3	0	0	0	113.6	Y808 K812 Q813	Y808-D810 HydrophobicContact CE1-CB 3.95Å; D810-K812 PolarHBondContact O-N 2.89Å; D810-K812 VanDerWaalsContact OD1-CB 3.29Å; D810-K812 WeakPolarHBondContact OD1-CB 3.4Å; D810-K812 VanDerWaalsContact OD1-CG 3.3Å; D810-K812 WeakPolarHBondContact OD1-CG 3.37Å; D810-K812 PolarHBondContact OD1-N 3.46Å; D810-K812 VanDerWaalsContact OD1-N 3.07Å; D810-K812 IonicContact OD1-NZ 2.72Å; D810-K812 PolarHBondContact OD1-NZ 2.81Å; D810-K812 IonicContact OD2-NZ 3.72Å; D810-Q813 HydrophobicContact CB-CG 4.34Å; D810-Q813 PolarHBondContact O-N 3Å; D810-Q813 PolarHBondContact OD2-NE2 3.26Å
811	L	92.8	Very high	84.4	Confident	1 Å²	1	46 Å²	46	1%	0.005	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-72.4	-4.7	178.5	-65.7	175.9	0	0	0	114.2	L774 L787 Q813 L814 L1048 T1050 L1052	L774-L811 HydrophobicContact CD2-CD2 4.37Å; L787-L811 HydrophobicContact CD1-CD2 3.77Å; L811-Q813 VanDerWaalsContact C-N 3.33Å; L811-L814 HydrophobicContact CD2-CD1 4.03Å; L811-L1048 HydrophobicContact CD1-CB 4Å; L811-T1050 PolarHBondContact N-O 3.18Å; L811-L1052 HydrophobicContact CD1-CD2 3.86Å; L811-L1052 HydrophobicContact CD1-CG 4Å; L811-L1052 HydrophobicContact CD2-CD1 4.31Å; L811-L1052 HydrophobicContact CD2-CG 4.12Å; L811-L1052 HydrophobicContact CG-CD2 4.48Å; L811-L1052 HydrophobicContact CG-CG 4.08Å
812	K	83.5	Confident	86.2	Confident	80 Å²	80	45.3 Å²	45.3	35%	0.348	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-77.2	-20.3	178.1	-59.6	174.3	-141.6	68	0	113.1	D810 L814 T1050	D810-K812 PolarHBondContact O-N 2.89Å; D810-K812 VanDerWaalsContact OD1-CB 3.29Å; D810-K812 WeakPolarHBondContact OD1-CB 3.4Å; D810-K812 VanDerWaalsContact OD1-CG 3.3Å; D810-K812 WeakPolarHBondContact OD1-CG 3.37Å; D810-K812 PolarHBondContact OD1-N 3.46Å; D810-K812 VanDerWaalsContact OD1-N 3.07Å; D810-K812 IonicContact OD1-NZ 2.72Å; D810-K812 PolarHBondContact OD1-NZ 2.81Å; D810-K812 IonicContact OD2-NZ 3.72Å; K812-L814 VanDerWaalsContact C-N 3.28Å; K812-L814 PolarHBondContact O-N 3.49Å; K812-T1050 WeakPolarHBondContact CE-O 3.32Å; K812-T1050 PolarHBondContact NZ-O 3.13Å
813	Q	73.1	Confident	87.7	Confident	147 Å²	147	43.3 Å²	43.3	69%	0.687	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-82.3	-8.2	-175.3	-60.7	177	29.2	0	0	112.6	D810 L811	D810-Q813 HydrophobicContact CB-CG 4.34Å; D810-Q813 PolarHBondContact O-N 3Å; D810-Q813 PolarHBondContact OD2-NE2 3.26Å; L811-Q813 VanDerWaalsContact C-N 3.33Å
814	L	84.4	Confident	88.8	Confident	21 Å²	21	47.3 Å²	47.3	11%	0.11	24%	0.235	C	C	.	.	S	Bend	trans	-64	140.7	172.7	-70.5	167.7	0	0	0	111.3	I785 L787 L811 K812 N816 N817	I785-L814 HydrophobicContact CD1-CD1 3.6Å; I785-L814 HydrophobicContact CD1-CD2 3.59Å; I785-L814 HydrophobicContact CD1-CG 4.18Å; I785-L814 HydrophobicContact CG2-CD2 4.34Å; L787-L814 HydrophobicContact CD2-CD2 4.22Å; L811-L814 HydrophobicContact CD2-CD1 4.03Å; K812-L814 VanDerWaalsContact C-N 3.28Å; K812-L814 PolarHBondContact O-N 3.49Å; L814-N816 PolarHBondContact O-N 3.17Å; L814-N817 PolarHBondContact O-N 3.44Å
815	P	74.2	Confident	89.4	Confident	120 Å²	120	52.8 Å²	52.8	78%	0.779	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-33.9	-171.3	-30.3	34.6	0	0	0	114.9	N817	P815-N817 VanDerWaalsContact C-N 3.28Å; P815-N817 PolarHBondContact O-N 3.44Å; P815-N817 PolarHBondContact O-ND2 3.1Å
816	N	74.9	Confident	89.6	Confident	101 Å²	101	51.9 Å²	51.9	54%	0.54	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-12.8	-177.8	-73.5	-41.5	0	0	0	115.2	L814 K818	L814-N816 PolarHBondContact O-N 3.17Å; N816-K818 WeakPolarHBondContact O-CD 3.33Å; N816-K818 WeakPolarHBondContact O-CG 3.26Å; N816-K818 PolarHBondContact O-N 2.84Å
817	N	79.3	Confident	89.8	Confident	133 Å²	133	52.6 Å²	52.6	71%	0.711	27%	0.268	S	S	*	.	S	Bend	trans	53.5	3.1	-174.1	-78.6	-82.8	0	0	0	116.1	L814 P815	L814-N817 PolarHBondContact O-N 3.44Å; P815-N817 VanDerWaalsContact C-N 3.28Å; P815-N817 PolarHBondContact O-N 3.44Å; P815-N817 PolarHBondContact O-ND2 3.1Å
818	K	82.6	Confident	89.9	Confident	115 Å²	115	52.6 Å²	52.6	50%	0.5	27%	0.268	S	S	.	.	S	Bend	trans	-100.3	-13.6	-175.1	-70.2	153.3	-170.9	164	0	113.1	N816 H1039 Y1047	N816-K818 WeakPolarHBondContact O-CD 3.33Å; N816-K818 WeakPolarHBondContact O-CG 3.26Å; N816-K818 PolarHBondContact O-N 2.84Å; K818-H1039 PolarHBondContact O-NE2 3.34Å; K818-Y1047 HydrophobicContact CB-CD1 3.98Å; K818-Y1047 HydrophobicContact CB-CE1 3.78Å
819	G	92.3	Very high	90	Very high	2 Å²	2	54.6 Å²	54.6	2%	0.021	28%	0.278	C	S	.	.			trans	101.9	-172.5	-164.5	0	0	0	0	0	112.4	L1048	G819-L1048 CarbonylContact C-O 3.53Å; G819-L1048 WeakPolarHBondContact CA-O 3.48Å
820	Y	95.7	Very high	90.2	Very high	14 Å²	14	54.6 Å²	54.6	6%	0.055	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.2	177.3	-176.4	-113.8	0	0	0	110	L774 A776 P782 N783 I785 I822 Y1047 L1048	L774-Y820 HydrophobicContact CD2-CD1 3.47Å; L774-Y820 VanDerWaalsContact CD2-CD1 3.47Å; L774-Y820 HydrophobicContact CD2-CD2 4.46Å; L774-Y820 HydrophobicContact CD2-CE1 3.96Å; L774-Y820 HydrophobicContact CD2-CG 3.75Å; L774-Y820 HydrophobicContact CG-CD1 4.06Å; L774-Y820 HydrophobicContact CG-CE1 4.04Å; L774-Y820 PolarHBondContact O-OH 3.07Å; A776-Y820 HydrophobicContact CB-CE1 4.19Å; P782-Y820 HydrophobicContact CB-CE2 4.32Å; P782-Y820 HydrophobicContact CG-CE1 4.24Å; P782-Y820 PolarHBondContact O-OH 3.16Å; P782-Y820 VanDerWaalsContact O-OH 3.09Å; N783-Y820 VanDerWaalsContact O-CE2 3.27Å; N783-Y820 WeakPolarHBondContact O-CE2 3.49Å; N783-Y820 PolarHBondContact O-OH 2.92Å; I785-Y820 HydrophobicContact CD1-CD2 3.45Å; I785-Y820 VanDerWaalsContact CD1-CD2 3.45Å; I785-Y820 HydrophobicContact CD1-CE2 3.95Å; I785-Y820 HydrophobicContact CD1-CG 4.02Å; I785-Y820 HydrophobicContact CG1-CD2 3.83Å; I785-Y820 HydrophobicContact CG1-CE2 3.76Å; I785-Y820 HydrophobicContact CG2-CD2 4.4Å; I785-Y820 HydrophobicContact CG2-CE2 4.09Å; Y820-I822 HydrophobicContact CD1-CG2 3.51Å; Y820-I822 HydrophobicContact CE1-CG2 3.69Å; Y820-Y1047 CarbonylContact O-C 3.56Å; Y820-Y1047 WeakPolarHBondContact O-CA 3.23Å; Y820-L1048 HydrophobicContact CD1-CD1 4.35Å; Y820-L1048 PolarHBondContact N-O 3.33Å; Y820-L1048 PolarHBondContact O-N 3.46Å
821	H	95.4	Very high	90.4	Very high	49 Å²	49	53.2 Å²	53.2	23%	0.227	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.8	-174.7	-178.5	-115.4	0	0	0	110.2	F780 P782 L1046 Y1047	F780-H821 AromaticContact CE1-CE1 3.94Å; F780-H821 AromaticContact CE2-CE1 3.73Å; F780-H821 AromaticContact CE2-ND1 3.49Å; F780-H821 WeakPolarHBondContact CE2-ND1 3.27Å; F780-H821 AromaticContact CZ-CE1 3.2Å; F780-H821 WeakPolarHBondContact CZ-CE1 3.39Å; F780-H821 AromaticContact CZ-ND1 3.42Å; F780-H821 WeakPolarHBondContact CZ-ND1 3.3Å; P782-H821 VanDerWaalsContact CB-O 3.3Å; P782-H821 WeakPolarHBondContact CB-O 3.2Å; P782-H821 WeakPolarHBondContact CG-O 3.31Å; H821-L1046 PolarHBondContact CD2-O 3.06Å; H821-Y1047 HydrophobicContact CB-CD1 3.91Å; H821-Y1047 HydrophobicContact CB-CE1 3.56Å; H821-Y1047 AromaticContact CD2-CE1 3.83Å; H821-Y1047 AromaticContact CD2-CE2 3.75Å; H821-Y1047 AromaticContact CD2-CZ 3.48Å; H821-Y1047 VanDerWaalsContact CD2-CZ 3.48Å
822	I	96.6	Very high	90.6	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	157.6	-174.1	54.2	163.1	0	0	0	111.9	A776 F780 Y820 I828 Y847 F1038 L1046 L1048	A776-I822 HydrophobicContact CB-CB 4.43Å; A776-I822 HydrophobicContact CB-CG2 3.77Å; F780-I822 WeakPolarHBondContact CZ-O 3.29Å; Y820-I822 HydrophobicContact CD1-CG2 3.51Å; Y820-I822 HydrophobicContact CE1-CG2 3.69Å; I822-I828 HydrophobicContact CD1-CD1 4.14Å; I822-Y847 HydrophobicContact CD1-CE2 4.06Å; I822-F1038 HydrophobicContact CD1-CD1 3.75Å; I822-F1038 HydrophobicContact CD1-CE1 3.58Å; I822-L1046 HydrophobicContact CD1-CD2 3.78Å; I822-L1046 HydrophobicContact CD1-CG 4.11Å; I822-L1046 HydrophobicContact CG1-CB 4.28Å; I822-L1046 HydrophobicContact CG1-CD2 4.07Å; I822-L1046 HydrophobicContact CG1-CG 4.07Å; I822-L1046 PolarHBondContact N-O 3.36Å; I822-L1048 HydrophobicContact CD1-CG 4.02Å; I822-L1048 HydrophobicContact CG2-CD1 4.47Å
823	P	97.3	Very high	91.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.257	C	S	.	.			trans	-51	164.1	166.9	-30	38.5	0	0	0	113.1	F780 K825 Y847 L1046	F780-P823 HydrophobicContact CD1-CG 4.24Å; F780-P823 HydrophobicContact CD2-CG 4.18Å; F780-P823 HydrophobicContact CE1-CB 4.42Å; F780-P823 HydrophobicContact CE1-CG 4.21Å; F780-P823 HydrophobicContact CE2-CG 4.15Å; F780-P823 HydrophobicContact CG-CG 4.22Å; F780-P823 HydrophobicContact CZ-CG 4.17Å; F780-P823 VanDerWaalsContact CZ-N 3.32Å; F780-P823 WeakPolarHBondContact O-CG 3.4Å; P823-K825 VanDerWaalsContact C-N 3.33Å; P823-K825 WeakPolarHBondContact CB-O 3.49Å; P823-Y847 WeakPolarHBondContact O-CE2 3.35Å; P823-Y847 PolarHBondContact O-OH 2.79Å; P823-Y847 VanDerWaalsContact O-OH 3.12Å; P823-L1046 WeakPolarHBondContact O-CD2 3.48Å
824	K	96.7	Very high	92.1	Very high	84 Å²	84	44.9 Å²	44.9	37%	0.365	23%	0.234	S	C	.	.	S	Bend	trans	-75.1	-23.9	172.7	-87.6	-172.6	156.6	-146.9	0	113.5	L849 A850 G1044	K824-L849 CarbonylContact O-C 3.52Å; K824-L849 VanDerWaalsContact O-C 3.31Å; K824-L849 WeakPolarHBondContact O-CA 3.4Å; K824-L849 PolarHBondContact O-N 3.17Å; K824-A850 PolarHBondContact NZ-O 3.03Å; K824-A850 PolarHBondContact O-N 2.76Å; K824-G1044 WeakPolarHBondContact CE-O 3.47Å
825	K	97	Very high	92.5	Very high	122 Å²	122	47.1 Å²	47.1	53%	0.53	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	143.9	-177.8	177.3	179.2	-171	146.6	0	108.4	P823 Y847 D848	P823-K825 VanDerWaalsContact C-N 3.33Å; P823-K825 WeakPolarHBondContact CB-O 3.49Å; K825-Y847 WeakPolarHBondContact CA-O 3.45Å; K825-D848 HydrophobicContact CD-CB 4.25Å; K825-D848 VanDerWaalsContact CD-OD2 3.25Å; K825-D848 WeakPolarHBondContact CD-OD2 3.38Å; K825-D848 WeakPolarHBondContact CE-OD2 3.24Å; K825-D848 HydrophobicContact CG-CB 4.02Å; K825-D848 IonicContact NZ-OD2 2.88Å; K825-D848 PolarHBondContact NZ-OD2 3.09Å
826	G	96.4	Very high	93.4	Very high	21 Å²	21	46.3 Å²	46.3	22%	0.216	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150	-138.4	173.6	0	0	0	0	0	111.9	S777 V846 Y847	S777-G826 WeakPolarHBondContact O-CA 3.31Å; G826-V846 WeakPolarHBondContact O-CA 3.28Å; G826-Y847 VanDerWaalsContact C-CE1 3.44Å; G826-Y847 PolarHBondContact N-O 2.86Å; G826-Y847 VanDerWaalsContact O-CD1 3.27Å; G826-Y847 WeakPolarHBondContact O-CD1 3.32Å; G826-Y847 WeakPolarHBondContact O-CE1 3.46Å; G826-Y847 PolarHBondContact O-N 2.91Å
827	S	97.1	Very high	94.2	Very high	33 Å²	33	43.4 Å²	43.4	23%	0.231	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.6	177.6	58.2	0	0	0	0	111.9	A776 S777 I845	A776-S827 CarbonylContact C-O 3.58Å; A776-S827 VanDerWaalsContact CA-O 3.27Å; A776-S827 WeakPolarHBondContact CA-O 3.42Å; A776-S827 WeakPolarHBondContact CB-O 3.23Å; S777-S827 PolarHBondContact N-O 2.73Å; S777-S827 PolarHBondContact O-N 3.46Å; S777-S827 VanDerWaalsContact O-N 3.08Å; S827-I845 CarbonylContact C-O 3.54Å; S827-I845 WeakPolarHBondContact CA-O 3.47Å
828	I	97.6	Very high	94.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.3	167.3	-72.8	149.8	0	0	0	106.5	L774 A776 I822 I845 Y847 L1036 F1038 L1048	L774-I828 HydrophobicContact CD1-CG2 3.7Å; A776-I828 HydrophobicContact CB-CG1 4.15Å; I822-I828 HydrophobicContact CD1-CD1 4.14Å; I828-I845 HydrophobicContact CB-CB 4.4Å; I828-I845 PolarHBondContact N-O 3.3Å; I828-I845 PolarHBondContact O-N 3.02Å; I828-Y847 HydrophobicContact CD1-CD1 3.66Å; I828-Y847 HydrophobicContact CD1-CE1 3.65Å; I828-Y847 HydrophobicContact CD1-CG 4.3Å; I828-Y847 HydrophobicContact CG1-CD1 4.01Å; I828-Y847 HydrophobicContact CG1-CE1 3.64Å; I828-L1036 HydrophobicContact CD1-CD1 4.02Å; I828-L1036 HydrophobicContact CG2-CD1 4.19Å; I828-F1038 HydrophobicContact CD1-CE1 3.82Å; I828-F1038 HydrophobicContact CD1-CZ 3.85Å; I828-L1048 HydrophobicContact CD1-CD1 4.05Å; I828-L1048 HydrophobicContact CD1-CD2 4.36Å; I828-L1048 HydrophobicContact CD1-CG 4.48Å; I828-L1048 HydrophobicContact CG1-CD1 4.37Å; I828-L1048 HydrophobicContact CG2-CD1 4.39Å
829	Q	97.2	Very high	95.4	Very high	67 Å²	67	40 Å²	40	31%	0.313	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.2	172.3	-178	168.1	-47.1	0	0	108.5	L774 G775 M842 F843	L774-Q829 WeakPolarHBondContact CA-O 3.35Å; G775-Q829 PolarHBondContact N-O 3.26Å; G775-Q829 PolarHBondContact O-N 3.46Å; Q829-M842 HydrophobicContact CG-CG 4.18Å; Q829-M842 HydrophobicContact CG-SD 4.1Å; Q829-F843 WeakPolarHBondContact CA-O 3.39Å
830	L	97	Very high	95.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	112.5	-176.6	-178.7	156.6	0	0	0	108.8	I772 E773 L774 F843 V1034 L1036 L1052 L1054	I772-L830 HydrophobicContact CD1-CD1 3.96Å; I772-L830 HydrophobicContact CD1-CD2 3.72Å; I772-L830 HydrophobicContact CD1-CG 3.76Å; I772-L830 HydrophobicContact CG1-CD2 4.12Å; I772-L830 HydrophobicContact CG1-CG 4.03Å; E773-L830 CarbonylContact O-C 3.56Å; E773-L830 VanDerWaalsContact O-CA 3.31Å; E773-L830 WeakPolarHBondContact O-CA 3.3Å; L774-L830 HydrophobicContact CD1-CB 4.38Å; L774-L830 HydrophobicContact CD1-CD1 4.16Å; L830-F843 HydrophobicContact CB-CB 4.31Å; L830-F843 HydrophobicContact CD2-CB 4.37Å; L830-F843 HydrophobicContact CD2-CD2 3.56Å; L830-F843 HydrophobicContact CD2-CE2 4.22Å; L830-F843 HydrophobicContact CD2-CG 4.29Å; L830-F843 PolarHBondContact N-O 2.89Å; L830-F843 PolarHBondContact O-N 2.97Å; L830-V1034 HydrophobicContact CD1-CG1 3.87Å; L830-L1036 HydrophobicContact CD1-CD2 4.13Å; L830-L1052 HydrophobicContact CD1-CD1 4.35Å; L830-L1054 HydrophobicContact CD1-CD1 4.43Å; L830-L1054 HydrophobicContact CD2-CD1 4.14Å; L830-L1054 HydrophobicContact CD2-CD2 3.93Å
831	T	97.2	Very high	95.2	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	114.7	-176.4	-50.9	0	0	0	0	109.3	I772 E773 F833 V839	I772-T831 WeakPolarHBondContact CA-O 3.46Å; E773-T831 PolarHBondContact N-O 2.77Å; E773-T831 PolarHBondContact O-N 3.43Å; T831-F833 HydrophobicContact CG2-CD2 4.25Å; T831-F833 HydrophobicContact CG2-CE1 4.02Å; T831-F833 HydrophobicContact CG2-CE2 3.67Å; T831-F833 HydrophobicContact CG2-CZ 3.56Å; T831-V839 HydrophobicContact CG2-CB 4.49Å; T831-V839 HydrophobicContact CG2-CG1 3.87Å; T831-V839 HydrophobicContact CG2-CG2 3.88Å
832	L	96.3	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.4	174	177.7	64	0	0	0	109.6	F770 M789 V840 K841 L1054 F1056	F770-L832 HydrophobicContact CD1-CD1 4.3Å; M789-L832 HydrophobicContact SD-CD1 3.72Å; L832-V840 HydrophobicContact CB-CB 4.41Å; L832-V840 HydrophobicContact CD2-CB 4.01Å; L832-V840 HydrophobicContact CD2-CG1 3.98Å; L832-V840 HydrophobicContact CG-CB 4.01Å; L832-V840 HydrophobicContact CG-CG2 4.34Å; L832-V840 PolarHBondContact O-N 3.44Å; L832-K841 PolarHBondContact N-O 3.25Å; L832-L1054 HydrophobicContact CB-CD2 4.48Å; L832-L1054 HydrophobicContact CD2-CD2 4.21Å; L832-F1056 HydrophobicContact CD2-CB 4.44Å; L832-F1056 HydrophobicContact CD2-CD1 3.77Å; L832-F1056 HydrophobicContact CD2-CD2 4.02Å; L832-F1056 HydrophobicContact CD2-CE1 3.88Å; L832-F1056 HydrophobicContact CD2-CE2 4.12Å; L832-F1056 HydrophobicContact CD2-CG 3.84Å; L832-F1056 HydrophobicContact CD2-CZ 4.06Å
833	F	95.6	Very high	95.1	Very high	15 Å²	15	46 Å²	46	7%	0.066	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.5	174.5	-59.1	-89.3	0	0	0	111.1	F770 S771 E773 T831 G837 L838 V839	F770-F833 WeakPolarHBondContact CA-O 3.31Å; F770-F833 WeakPolarHBondContact CD1-O 3.26Å; S771-F833 PolarHBondContact N-O 2.72Å; S771-F833 VanDerWaalsContact N-O 3.12Å; S771-F833 PolarHBondContact O-N 3.09Å; E773-F833 HydrophobicContact CB-CE2 3.84Å; T831-F833 HydrophobicContact CG2-CD2 4.25Å; T831-F833 HydrophobicContact CG2-CE1 4.02Å; T831-F833 HydrophobicContact CG2-CE2 3.67Å; T831-F833 HydrophobicContact CG2-CZ 3.56Å; F833-G837 VanDerWaalsContact CD1-O 3.28Å; F833-G837 WeakPolarHBondContact CD1-O 3.35Å; F833-L838 CarbonylContact C-O 3.54Å; F833-L838 VanDerWaalsContact CA-O 3.29Å; F833-L838 WeakPolarHBondContact CA-O 3.29Å; F833-V839 HydrophobicContact CD1-CG2 3.89Å; F833-V839 HydrophobicContact CE1-CG2 3.6Å; F833-V839 HydrophobicContact CZ-CG2 4.44Å
834	N	93	Very high	95	Very high	37 Å²	37	49.7 Å²	49.7	20%	0.198	28%	0.28	C	S	.	.			trans	-75.5	177.2	172.8	81.5	-12.1	0	0	0	111.3	F770 T836 G837 L838 V840	F770-N834 HydrophobicContact CE1-CB 4.25Å; N834-T836 PolarHBondContact ND2-OG1 2.71Å; N834-T836 PolarHBondContact O-N 2.82Å; N834-T836 VanDerWaalsContact OD1-C 3.32Å; N834-T836 WeakPolarHBondContact OD1-CA 3.33Å; N834-T836 PolarHBondContact OD1-N 2.72Å; N834-T836 PolarHBondContact OD1-OG1 2.78Å; N834-G837 PolarHBondContact O-N 3.4Å; N834-G837 VanDerWaalsContact O-N 3.13Å; N834-G837 PolarHBondContact OD1-N 3.35Å; N834-L838 PolarHBondContact N-O 3.47Å; N834-L838 PolarHBondContact OD1-N 2.69Å; N834-L838 PolarHBondContact OD1-O 2.78Å; N834-V840 HydrophobicContact CB-CG2 3.68Å
835	P	93.6	Very high	95	Very high	69 Å²	69	45.7 Å²	45.7	45%	0.448	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.6	175.6	-25.2	36.9	0	0	0	115.6	E768 F770 G837	E768-P835 WeakPolarHBondContact O-CG 3.34Å; F770-P835 HydrophobicContact CD2-CG 3.84Å; F770-P835 HydrophobicContact CE2-CG 3.88Å; F770-P835 HydrophobicContact CG-CG 4.37Å; F770-P835 HydrophobicContact CZ-CG 4.44Å; P835-G837 VanDerWaalsContact C-N 3.34Å
836	T	92.8	Very high	94.9	Very high	103 Å²	103	44.6 Å²	44.6	63%	0.632	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	7.6	175.8	74.9	0	0	0	0	112.8	N834 L838	N834-T836 PolarHBondContact ND2-OG1 2.71Å; N834-T836 PolarHBondContact O-N 2.82Å; N834-T836 VanDerWaalsContact OD1-C 3.32Å; N834-T836 WeakPolarHBondContact OD1-CA 3.33Å; N834-T836 PolarHBondContact OD1-N 2.72Å; N834-T836 PolarHBondContact OD1-OG1 2.78Å; T836-L838 VanDerWaalsContact C-N 3.32Å; T836-L838 PolarHBondContact O-N 2.75Å
837	G	91.6	Very high	94.9	Very high	40 Å²	40	44 Å²	44	41%	0.412	26%	0.257	S	S	.	.	S	Bend	trans	80	1.3	179.9	0	0	0	0	0	115.8	F833 N834 P835	F833-G837 VanDerWaalsContact CD1-O 3.28Å; F833-G837 WeakPolarHBondContact CD1-O 3.35Å; N834-G837 PolarHBondContact O-N 3.4Å; N834-G837 VanDerWaalsContact O-N 3.13Å; N834-G837 PolarHBondContact OD1-N 3.35Å; P835-G837 VanDerWaalsContact C-N 3.34Å
838	L	93.1	Very high	94.9	Very high	102 Å²	102	45.2 Å²	45.2	53%	0.534	26%	0.26	S	S	.	.			trans	-81.6	146.4	178.3	-61.8	175	0	0	0	111.8	F833 N834 T836 V840	F833-L838 CarbonylContact C-O 3.54Å; F833-L838 VanDerWaalsContact CA-O 3.29Å; F833-L838 WeakPolarHBondContact CA-O 3.29Å; N834-L838 PolarHBondContact N-O 3.47Å; N834-L838 PolarHBondContact OD1-N 2.69Å; N834-L838 PolarHBondContact OD1-O 2.78Å; T836-L838 VanDerWaalsContact C-N 3.32Å; T836-L838 PolarHBondContact O-N 2.75Å; L838-V840 PolarHBondContact O-N 2.95Å
839	V	93.3	Very high	94.8	Very high	73 Å²	73	45.9 Å²	45.9	44%	0.442	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	123.8	178.1	179.8	0	0	0	0	110.8	T831 F833	T831-V839 HydrophobicContact CG2-CB 4.49Å; T831-V839 HydrophobicContact CG2-CG1 3.87Å; T831-V839 HydrophobicContact CG2-CG2 3.88Å; F833-V839 HydrophobicContact CD1-CG2 3.89Å; F833-V839 HydrophobicContact CE1-CG2 3.6Å; F833-V839 HydrophobicContact CZ-CG2 4.44Å
840	V	90.7	Very high	94.7	Very high	46 Å²	46	45 Å²	45	28%	0.279	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-44.3	174	179.6	0	0	0	0	110.9	F770 L832 N834 L838 F1056	F770-V840 HydrophobicContact CE1-CG2 4.42Å; L832-V840 HydrophobicContact CB-CB 4.41Å; L832-V840 HydrophobicContact CD2-CB 4.01Å; L832-V840 HydrophobicContact CD2-CG1 3.98Å; L832-V840 HydrophobicContact CG-CB 4.01Å; L832-V840 HydrophobicContact CG-CG2 4.34Å; L832-V840 PolarHBondContact O-N 3.44Å; N834-V840 HydrophobicContact CB-CG2 3.68Å; L838-V840 PolarHBondContact O-N 2.95Å; V840-F1056 HydrophobicContact CG1-CD2 4.49Å
841	K	92.7	Very high	94.6	Very high	60 Å²	60	49.1 Å²	49.1	26%	0.261	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	135	172	-174	58.3	179.2	175.2	0	109.8	L832 F843 Y1032	L832-K841 PolarHBondContact N-O 3.25Å; K841-F843 HydrophobicContact CB-CD2 4.38Å; K841-F843 HydrophobicContact CB-CE2 3.71Å; K841-F843 HydrophobicContact CB-CZ 3.85Å; K841-F843 HydrophobicContact CG-CD1 4.25Å; K841-F843 HydrophobicContact CG-CD2 4.12Å; K841-F843 HydrophobicContact CG-CE1 3.83Å; K841-F843 HydrophobicContact CG-CE2 3.69Å; K841-F843 HydrophobicContact CG-CG 4.4Å; K841-F843 HydrophobicContact CG-CZ 3.54Å; K841-Y1032 HydrophobicContact CB-CE1 4.19Å; K841-Y1032 HydrophobicContact CD-CE2 4.23Å; K841-Y1032 HydrophobicContact CG-CD2 4.28Å; K841-Y1032 HydrophobicContact CG-CE2 4.18Å
842	M	94.7	Very high	94.5	Very high	85 Å²	85	49 Å²	49	42%	0.419	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	137.1	160.8	-169.9	-173.8	-66.9	0	0	109.4	Q829	Q829-M842 HydrophobicContact CG-CG 4.18Å; Q829-M842 HydrophobicContact CG-SD 4.1Å
843	F	95.3	Very high	94.5	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.013	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.6	176.3	-60.8	-90.5	0	0	0	108.9	Q829 L830 K841 Y1032 V1034 L1054	Q829-F843 WeakPolarHBondContact CA-O 3.39Å; L830-F843 HydrophobicContact CB-CB 4.31Å; L830-F843 HydrophobicContact CD2-CB 4.37Å; L830-F843 HydrophobicContact CD2-CD2 3.56Å; L830-F843 HydrophobicContact CD2-CE2 4.22Å; L830-F843 HydrophobicContact CD2-CG 4.29Å; L830-F843 PolarHBondContact N-O 2.89Å; L830-F843 PolarHBondContact O-N 2.97Å; K841-F843 HydrophobicContact CB-CD2 4.38Å; K841-F843 HydrophobicContact CB-CE2 3.71Å; K841-F843 HydrophobicContact CB-CZ 3.85Å; K841-F843 HydrophobicContact CG-CD1 4.25Å; K841-F843 HydrophobicContact CG-CD2 4.12Å; K841-F843 HydrophobicContact CG-CE1 3.83Å; K841-F843 HydrophobicContact CG-CE2 3.69Å; K841-F843 HydrophobicContact CG-CG 4.4Å; K841-F843 HydrophobicContact CG-CZ 3.54Å; F843-Y1032 HydrophobicContact CE1-CG 4.11Å; F843-Y1032 HydrophobicContact CZ-CD1 4.05Å; F843-Y1032 AromaticContact CZ-CG 3.95Å; F843-Y1032 HydrophobicContact CZ-CG 3.95Å; F843-V1034 HydrophobicContact CB-CG2 4.24Å; F843-V1034 HydrophobicContact CD1-CG2 3.37Å; F843-V1034 HydrophobicContact CD2-CG2 3.9Å; F843-V1034 HydrophobicContact CE1-CG2 3.5Å; F843-V1034 HydrophobicContact CE2-CG2 4.01Å; F843-V1034 HydrophobicContact CG-CG2 3.57Å; F843-V1034 HydrophobicContact CZ-CG2 3.82Å; F843-L1054 HydrophobicContact CD2-CD2 4.29Å; F843-L1054 HydrophobicContact CE2-CD2 3.6Å; F843-L1054 HydrophobicContact CZ-CD2 4.09Å
844	V	95.5	Very high	94.4	Very high	78 Å²	78	54.6 Å²	54.6	47%	0.473	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.3	170.6	-178.6	0	0	0	0	107.3	Q862	V844-Q862 PolarHBondContact O-NE2 3.06Å
845	I	96.4	Very high	94.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	106	-173.5	-66.1	170.2	0	0	0	108.4	S827 I828 L860 Q862 V1034 L1036	S827-I845 CarbonylContact C-O 3.54Å; S827-I845 WeakPolarHBondContact CA-O 3.47Å; I828-I845 HydrophobicContact CB-CB 4.4Å; I828-I845 PolarHBondContact N-O 3.3Å; I828-I845 PolarHBondContact O-N 3.02Å; I845-L860 HydrophobicContact CG2-CD1 4.06Å; I845-L860 HydrophobicContact CG2-CD2 3.55Å; I845-L860 HydrophobicContact CG2-CG 4.49Å; I845-Q862 HydrophobicContact CD1-CB 3.97Å; I845-Q862 HydrophobicContact CG1-CB 4.01Å; I845-Q862 HydrophobicContact CG1-CG 4.39Å; I845-V1034 HydrophobicContact CD1-CB 4.2Å; I845-V1034 HydrophobicContact CD1-CG1 4.03Å; I845-L1036 HydrophobicContact CD1-CD1 3.7Å; I845-L1036 HydrophobicContact CD1-CG 4.31Å; I845-L1036 HydrophobicContact CG2-CD1 4.27Å
846	V	96.1	Very high	94.5	Very high	99 Å²	99	53.7 Å²	53.7	60%	0.6	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	136.9	171.8	-177.7	0	0	0	0	109.2	G826	G826-V846 WeakPolarHBondContact O-CA 3.28Å
847	Y	96	Very high	94.7	Very high	8 Å²	8	51.7 Å²	51.7	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147	179.7	69.5	-76.8	0	0	0	111.8	I822 P823 K825 G826 I828 L849 F1038 L1046	I822-Y847 HydrophobicContact CD1-CE2 4.06Å; P823-Y847 WeakPolarHBondContact O-CE2 3.35Å; P823-Y847 PolarHBondContact O-OH 2.79Å; P823-Y847 VanDerWaalsContact O-OH 3.12Å; K825-Y847 WeakPolarHBondContact CA-O 3.45Å; G826-Y847 VanDerWaalsContact C-CE1 3.44Å; G826-Y847 PolarHBondContact N-O 2.86Å; G826-Y847 VanDerWaalsContact O-CD1 3.27Å; G826-Y847 WeakPolarHBondContact O-CD1 3.32Å; G826-Y847 WeakPolarHBondContact O-CE1 3.46Å; G826-Y847 PolarHBondContact O-N 2.91Å; I828-Y847 HydrophobicContact CD1-CD1 3.66Å; I828-Y847 HydrophobicContact CD1-CE1 3.65Å; I828-Y847 HydrophobicContact CD1-CG 4.3Å; I828-Y847 HydrophobicContact CG1-CD1 4.01Å; I828-Y847 HydrophobicContact CG1-CE1 3.64Å; Y847-L849 HydrophobicContact CD2-CD1 4.01Å; Y847-L849 HydrophobicContact CD2-CG 4.19Å; Y847-F1038 HydrophobicContact CD2-CE1 4.29Å; Y847-L1046 HydrophobicContact CE2-CD2 4.17Å
848	D	96	Very high	94.9	Very high	58 Å²	58	50.6 Å²	50.6	31%	0.31	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	113.8	168	-166.5	-11.8	0	0	0	109.8	K825 A850 R1083	K825-D848 HydrophobicContact CD-CB 4.25Å; K825-D848 VanDerWaalsContact CD-OD2 3.25Å; K825-D848 WeakPolarHBondContact CD-OD2 3.38Å; K825-D848 WeakPolarHBondContact CE-OD2 3.24Å; K825-D848 HydrophobicContact CG-CB 4.02Å; K825-D848 IonicContact NZ-OD2 2.88Å; K825-D848 PolarHBondContact NZ-OD2 3.09Å; D848-A850 WeakPolarHBondContact OD1-CB 3.36Å; D848-A850 PolarHBondContact OD1-N 3.32Å; D848-A850 VanDerWaalsContact OD1-N 3.11Å; D848-R1083 PolarHBondContact O-NH2 3.14Å
849	L	96	Very high	95	Very high	14 Å²	14	49 Å²	49	7%	0.073	28%	0.277	C	S	.	.			trans	-130	28.8	-179.2	-60.7	170.6	0	0	0	109.7	K824 Y847 D851 M852 T858 F1038 L1046 Y1084	K824-L849 CarbonylContact O-C 3.52Å; K824-L849 VanDerWaalsContact O-C 3.31Å; K824-L849 WeakPolarHBondContact O-CA 3.4Å; K824-L849 PolarHBondContact O-N 3.17Å; Y847-L849 HydrophobicContact CD2-CD1 4.01Å; Y847-L849 HydrophobicContact CD2-CG 4.19Å; L849-D851 VanDerWaalsContact C-N 3.28Å; L849-D851 PolarHBondContact O-N 2.76Å; L849-M852 HydrophobicContact CB-CB 4.26Å; L849-M852 WeakPolarHBondContact O-CB 3.2Å; L849-M852 PolarHBondContact O-N 3Å; L849-M852 VanDerWaalsContact O-N 3.12Å; L849-T858 HydrophobicContact CD2-CG2 4.17Å; L849-F1038 HydrophobicContact CD1-CB 4.16Å; L849-F1038 HydrophobicContact CD1-CD1 3.31Å; L849-F1038 HydrophobicContact CD1-CD2 4.26Å; L849-F1038 HydrophobicContact CD1-CE1 3.64Å; L849-F1038 HydrophobicContact CD1-CG 3.66Å; L849-F1038 HydrophobicContact CD1-CZ 4.27Å; L849-L1046 HydrophobicContact CB-CD2 4.03Å; L849-L1046 HydrophobicContact CD1-CD2 3.91Å; L849-Y1084 HydrophobicContact CD2-CE1 3.95Å
850	A	95.3	Very high	95.1	Very high	48 Å²	48	46.1 Å²	46.1	40%	0.397	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-37.7	-177.9	0	0	0	0	0	113.4	K824 D848 M852	K824-A850 PolarHBondContact NZ-O 3.03Å; K824-A850 PolarHBondContact O-N 2.76Å; D848-A850 WeakPolarHBondContact OD1-CB 3.36Å; D848-A850 PolarHBondContact OD1-N 3.32Å; D848-A850 VanDerWaalsContact OD1-N 3.11Å; A850-M852 VanDerWaalsContact C-N 3.32Å
851	D	95	Very high	95.3	Very high	88 Å²	88	44.9 Å²	44.9	47%	0.471	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.1	177.7	61.6	-50.5	0	0	0	114.2	L849 P853 R1083 Y1084	L849-D851 VanDerWaalsContact C-N 3.28Å; L849-D851 PolarHBondContact O-N 2.76Å; D851-P853 VanDerWaalsContact O-CD 3.23Å; D851-P853 WeakPolarHBondContact O-CD 3.17Å; D851-R1083 IonicContact OD1-CZ 2.69Å; D851-R1083 IonicContact OD1-NH1 3.79Å; D851-R1083 PolarHBondContact OD1-NH1 2.88Å; D851-R1083 IonicContact OD2-CZ 3.71Å; D851-R1083 IonicContact OD2-NH1 2.68Å; D851-R1083 PolarHBondContact OD2-NH1 3.16Å; D851-Y1084 PolarHBondContact OD1-OH 3.08Å; D851-Y1084 WeakPolarHBondContact OD2-CE2 3.49Å; D851-Y1084 PolarHBondContact OD2-OH 2.75Å
852	M	95.4	Very high	95.4	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-60.8	116.7	-176.5	-171.2	169.4	178.5	0	0	112.1	L849 A850 C856 Q857 T858 T1040 L1046 Y1084	L849-M852 HydrophobicContact CB-CB 4.26Å; L849-M852 WeakPolarHBondContact O-CB 3.2Å; L849-M852 PolarHBondContact O-N 3Å; L849-M852 VanDerWaalsContact O-N 3.12Å; A850-M852 VanDerWaalsContact C-N 3.32Å; M852-C856 VanDerWaalsContact CE-C 3.46Å; M852-C856 HydrophobicContact CE-CB 3.9Å; M852-C856 WeakPolarHBondContact CE-O 3.34Å; M852-C856 HydrophobicContact CG-CB 4.25Å; M852-Q857 VanDerWaalsContact CE-CA 3.47Å; M852-T858 HydrophobicContact CE-CG2 4.13Å; M852-T858 HydrophobicContact SD-CG2 4.15Å; M852-T1040 HydrophobicContact CB-CG2 4.21Å; M852-T1040 HydrophobicContact CE-CG2 4.23Å; M852-T1040 HydrophobicContact CG-CG2 3.71Å; M852-T1040 HydrophobicContact SD-CG2 3.94Å; M852-L1046 HydrophobicContact CE-CD1 4.46Å; M852-L1046 HydrophobicContact SD-CD1 3.53Å; M852-L1046 VanDerWaalsContact SD-CD1 3.53Å; M852-Y1084 HydrophobicContact CB-CD1 4.21Å; M852-Y1084 HydrophobicContact CB-CE1 3.66Å; M852-Y1084 HydrophobicContact CB-CE2 4.27Å; M852-Y1084 HydrophobicContact CE-CD1 4.18Å; M852-Y1084 HydrophobicContact CG-CD1 3.58Å; M852-Y1084 HydrophobicContact CG-CE1 3.5Å; M852-Y1084 HydrophobicContact CG-CG 4.18Å; M852-Y1084 HydrophobicContact SD-CD1 3.99Å; M852-Y1084 HydrophobicContact SD-CE1 3.84Å
853	P	95.3	Very high	95.2	Very high	58 Å²	58	39.9 Å²	39.9	38%	0.377	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-68.7	160.7	-175.7	-20.4	32.7	0	0	0	113.2	D851 C856 T1040	D851-P853 VanDerWaalsContact O-CD 3.23Å; D851-P853 WeakPolarHBondContact O-CD 3.17Å; P853-C856 WeakPolarHBondContact O-CB 3.45Å; P853-C856 PolarHBondContact O-N 2.73Å; P853-T1040 WeakPolarHBondContact O-CB 3.23Å; P853-T1040 PolarHBondContact O-OG1 2.83Å
854	P	95.2	Very high	94.9	Very high	74 Å²	74	40.2 Å²	40.2	48%	0.481	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	141.9	176	-21.8	34.1	0	0	0	113.7	C856 T1040	P854-C856 VanDerWaalsContact C-N 3.27Å; P854-C856 PolarHBondContact O-N 3.26Å; P854-T1040 WeakPolarHBondContact CA-OG1 3.32Å
855	N	94.1	Very high	94.4	Very high	70 Å²	70	36.5 Å²	36.5	37%	0.374	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	29.3	-173.2	-51.5	-61.8	0	0	0	115.1	T1040 T1041 R1042 K1087	N855-T1040 WeakPolarHBondContact CA-O 3.49Å; N855-T1040 PolarHBondContact N-O 3.39Å; N855-T1040 PolarHBondContact N-OG1 3.39Å; N855-T1041 PolarHBondContact N-O 3.09Å; N855-R1042 WeakPolarHBondContact OD1-CA 3.4Å; N855-R1042 PolarHBondContact OD1-N 3.26Å; N855-K1087 WeakPolarHBondContact O-CB 3.24Å; N855-K1087 PolarHBondContact O-N 3.5Å
856	C	94.9	Very high	93.8	Very high	18 Å²	18	38.3 Å²	38.3	12%	0.122	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	167.1	167.5	-74.6	0	0	0	0	111.6	M852 P853 P854 H1039 T1040 S1085	M852-C856 VanDerWaalsContact CE-C 3.46Å; M852-C856 HydrophobicContact CE-CB 3.9Å; M852-C856 WeakPolarHBondContact CE-O 3.34Å; M852-C856 HydrophobicContact CG-CB 4.25Å; P853-C856 WeakPolarHBondContact O-CB 3.45Å; P853-C856 PolarHBondContact O-N 2.73Å; P854-C856 VanDerWaalsContact C-N 3.27Å; P854-C856 PolarHBondContact O-N 3.26Å; C856-H1039 VanDerWaalsContact O-CA 3.29Å; C856-H1039 WeakPolarHBondContact O-CA 3.23Å; C856-H1039 WeakPolarHBondContact O-CB 3.3Å; C856-T1040 PolarHBondContact N-OG1 2.76Å; C856-T1040 PolarHBondContact O-N 2.92Å; C856-T1040 PolarHBondContact O-OG1 2.98Å; C856-S1085 CarbonylContact C-O 3.53Å; C856-S1085 VanDerWaalsContact CA-O 3.31Å; C856-S1085 WeakPolarHBondContact CA-O 3.28Å
857	Q	95.3	Very high	93.2	Very high	61 Å²	61	34.4 Å²	34.4	29%	0.285	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	148.6	169.5	70.3	-175.7	16.2	0	0	110.8	M852 F1038 H1039 S1085	M852-Q857 VanDerWaalsContact CE-CA 3.47Å; Q857-F1038 CarbonylContact C-O 3.44Å; Q857-F1038 WeakPolarHBondContact CA-O 3.29Å; Q857-F1038 WeakPolarHBondContact CB-O 3.35Å; Q857-H1039 HydrophobicContact CB-CB 4.21Å; Q857-S1085 WeakPolarHBondContact CG-OG 3.46Å; Q857-S1085 PolarHBondContact N-O 2.87Å; Q857-S1085 PolarHBondContact NE2-OG 3.02Å; Q857-S1085 PolarHBondContact O-N 2.98Å; Q857-S1085 PolarHBondContact O-OG 3.07Å; Q857-S1085 VanDerWaalsContact O-OG 3.04Å
858	T	96.1	Very high	92.5	Very high	16 Å²	16	35.4 Å²	35.4	10%	0.098	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	-178.3	173.7	-163.6	0	0	0	0	110.7	L849 M852 F1038 R1083 Y1084	L849-T858 HydrophobicContact CD2-CG2 4.17Å; M852-T858 HydrophobicContact CE-CG2 4.13Å; M852-T858 HydrophobicContact SD-CG2 4.15Å; T858-F1038 HydrophobicContact CG2-CB 4.2Å; T858-F1038 PolarHBondContact N-O 3.31Å; T858-F1038 PolarHBondContact O-N 3.11Å; T858-R1083 WeakPolarHBondContact CB-O 3.41Å; T858-R1083 PolarHBondContact OG1-O 3.09Å; T858-Y1084 HydrophobicContact CG2-CD1 3.92Å; T858-Y1084 HydrophobicContact CG2-CE1 3.95Å
859	F	95.4	Very high	91.8	Very high	69 Å²	69	36.3 Å²	36.3	30%	0.303	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	161.1	175.6	72.5	-103.2	0	0	0	111.9	R861 H1035 L1036 R1037 P1079	F859-R861 HydrophobicContact CD2-CG 4.02Å; F859-R861 HydrophobicContact CE2-CG 4.11Å; F859-H1035 AromaticContact CD2-CD2 3.97Å; F859-H1035 AromaticContact CD2-NE2 3.67Å; F859-H1035 AromaticContact CG-NE2 3.59Å; F859-L1036 CarbonylContact C-O 3.57Å; F859-L1036 VanDerWaalsContact CA-O 3.22Å; F859-L1036 WeakPolarHBondContact CA-O 3.44Å; F859-L1036 VanDerWaalsContact CB-O 3.31Å; F859-L1036 WeakPolarHBondContact CB-O 3.22Å; F859-R1037 HydrophobicContact CB-CG 3.9Å; F859-P1079 HydrophobicContact CD1-CG 3.8Å; F859-P1079 HydrophobicContact CD2-CG 4.47Å; F859-P1079 HydrophobicContact CE1-CG 3.54Å; F859-P1079 HydrophobicContact CE2-CG 4.24Å; F859-P1079 HydrophobicContact CG-CG 4.26Å; F859-P1079 HydrophobicContact CZ-CG 3.79Å; F859-P1079 WeakPolarHBondContact O-CD 3.37Å
860	L	95.3	Very high	90.4	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.068	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.5	171.9	-173.4	159.6	0	0	0	107.6	I845 L1036 F1038 I1076 D1077	I845-L860 HydrophobicContact CG2-CD1 4.06Å; I845-L860 HydrophobicContact CG2-CD2 3.55Å; I845-L860 HydrophobicContact CG2-CG 4.49Å; L860-L1036 PolarHBondContact N-O 2.88Å; L860-L1036 PolarHBondContact O-N 3.21Å; L860-F1038 HydrophobicContact CB-CE2 3.68Å; L860-F1038 HydrophobicContact CB-CZ 4.34Å; L860-I1076 HydrophobicContact CD1-CG2 3.87Å; L860-I1076 HydrophobicContact CD2-CG2 3.75Å; L860-I1076 HydrophobicContact CG-CG2 3.75Å; L860-D1077 CarbonylContact C-O 3.39Å; L860-D1077 WeakPolarHBondContact CA-O 3.36Å
861	R	94.7	Very high	88.6	Confident	19 Å²	19	48.5 Å²	48.5	7%	0.072	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.9	173.2	-65.1	175.8	-169.3	-167.7	2.8	109.5	E754 F859 V1034 H1035 I1076 D1077	E754-R861 IonicContact OE1-NH2 2.98Å; E754-R861 IonicContact OE2-CZ 3.28Å; E754-R861 IonicContact OE2-NH1 3.51Å; E754-R861 PolarHBondContact OE2-NH1 2.87Å; E754-R861 IonicContact OE2-NH2 3.94Å; E754-R861 PolarHBondContact OE2-NH2 2.65Å; F859-R861 HydrophobicContact CD2-CG 4.02Å; F859-R861 HydrophobicContact CE2-CG 4.11Å; R861-V1034 CarbonylContact C-O 3.56Å; R861-V1034 WeakPolarHBondContact CA-O 3.31Å; R861-H1035 HydrophobicContact CG-CB 4.18Å; R861-H1035 PolarHBondContact NE-NE2 2.8Å; R861-I1076 WeakPolarHBondContact O-CA 3.24Å; R861-D1077 HydrophobicContact CB-CB 4.39Å; R861-D1077 PolarHBondContact N-O 3.34Å; R861-D1077 PolarHBondContact O-N 3.35Å
862	Q	94.7	Very high	86.3	Confident	14 Å²	14	52.4 Å²	52.4	7%	0.065	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.6	164.9	-171	176.8	47.3	0	0	107.7	V844 I845 L1033 V1034 F1075 I1076	V844-Q862 PolarHBondContact O-NE2 3.06Å; I845-Q862 HydrophobicContact CD1-CB 3.97Å; I845-Q862 HydrophobicContact CG1-CB 4.01Å; I845-Q862 HydrophobicContact CG1-CG 4.39Å; Q862-L1033 CarbonylContact O-C 3.55Å; Q862-L1033 WeakPolarHBondContact O-CA 3.14Å; Q862-V1034 HydrophobicContact CB-CB 4.46Å; Q862-V1034 PolarHBondContact N-O 3.01Å; Q862-V1034 PolarHBondContact O-N 2.75Å; Q862-F1075 CarbonylContact C-O 3.56Å; Q862-F1075 VanDerWaalsContact CA-O 3.27Å; Q862-F1075 WeakPolarHBondContact CA-O 3.18Å; Q862-I1076 HydrophobicContact CB-CG1 4.38Å; Q862-I1076 HydrophobicContact CG-CG1 4.12Å
863	R	90.5	Very high	83.5	Confident	27 Å²	27	59.7 Å²	59.7	10%	0.102	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	146.5	170.5	-68.3	179.5	172.7	138.3	-23.3	109	Y595 E753 V865 L1030 L1033 S1074 F1075 D1077	Y595-R863 PolarHBondContact OH-NH1 2.81Å; Y595-R863 VanDerWaalsContact OH-NH1 3.14Å; E753-R863 IonicContact OE1-CZ 3.67Å; E753-R863 IonicContact OE1-NE 3.44Å; E753-R863 IonicContact OE1-NH2 3.56Å; E753-R863 IonicContact OE2-CZ 2.78Å; E753-R863 VanDerWaalsContact OE2-CZ 3.28Å; E753-R863 IonicContact OE2-NE 3.29Å; E753-R863 PolarHBondContact OE2-NE 2.87Å; E753-R863 IonicContact OE2-NH2 3.73Å; E753-R863 PolarHBondContact OE2-NH2 2.76Å; R863-V865 HydrophobicContact CB-CG2 4.07Å; R863-L1030 HydrophobicContact CB-CD1 3.97Å; R863-L1030 HydrophobicContact CG-CD1 4.09Å; R863-L1033 HydrophobicContact CG-CD1 3.95Å; R863-L1033 HydrophobicContact CG-CG 4.09Å; R863-S1074 CarbonylContact O-C 3.52Å; R863-S1074 VanDerWaalsContact O-CA 3.3Å; R863-S1074 WeakPolarHBondContact O-CA 3.26Å; R863-F1075 HydrophobicContact CB-CB 4.48Å; R863-F1075 PolarHBondContact N-O 2.95Å; R863-F1075 PolarHBondContact O-N 2.86Å; R863-D1077 WeakPolarHBondContact CD-OD2 3.31Å; R863-D1077 IonicContact CZ-OD2 3.96Å; R863-D1077 IonicContact NE-OD2 2.65Å; R863-D1077 VanDerWaalsContact NH1-CG 3.29Å; R863-D1077 IonicContact NH1-OD1 2.83Å; R863-D1077 IonicContact NH1-OD2 3.84Å; R863-D1077 PolarHBondContact NH1-OD2 2.89Å
864	T	90	Very high	80.4	Confident	9 Å²	9	64.4 Å²	64.4	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.6	167.5	-40	0	0	0	0	108	R1031 Y1032 L1072 R1073	T864-R1031 PolarHBondContact O-N 3.37Å; T864-Y1032 HydrophobicContact CG2-CD2 4.49Å; T864-Y1032 PolarHBondContact N-O 2.99Å; T864-Y1032 PolarHBondContact O-N 3.1Å; T864-Y1032 VanDerWaalsContact O-N 3.1Å; T864-L1072 HydrophobicContact CG2-CD1 3.74Å; T864-L1072 HydrophobicContact CG2-CD2 4.14Å; T864-L1072 HydrophobicContact CG2-CG 3.8Å; T864-R1073 CarbonylContact C-O 3.31Å; T864-R1073 WeakPolarHBondContact CA-O 3.23Å
865	V	85.7	Confident	77.4	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131.6	-161.3	-170.8	0	0	0	0	108.8	Y595 R863 M867 A1028 Y1029 L1030 R1073 F1075	Y595-V865 HydrophobicContact CD1-CG1 4.23Å; Y595-V865 HydrophobicContact CG-CG1 4.3Å; R863-V865 HydrophobicContact CB-CG2 4.07Å; V865-M867 HydrophobicContact CB-CG 4.29Å; V865-M867 HydrophobicContact CG1-CG 4.01Å; V865-M867 PolarHBondContact O-N 3.47Å; V865-A1028 HydrophobicContact CG1-CB 3.79Å; V865-Y1029 CarbonylContact C-O 3.5Å; V865-Y1029 VanDerWaalsContact CA-O 3.3Å; V865-Y1029 WeakPolarHBondContact CA-O 3.39Å; V865-Y1029 WeakPolarHBondContact CG1-O 3.44Å; V865-L1030 HydrophobicContact CG2-CD1 3.91Å; V865-R1073 PolarHBondContact N-O 2.93Å; V865-R1073 PolarHBondContact O-N 3.19Å; V865-F1075 HydrophobicContact CB-CE2 4.34Å; V865-F1075 HydrophobicContact CG2-CD2 4.17Å; V865-F1075 HydrophobicContact CG2-CE2 4.39Å
866	Y	83.7	Confident	74.4	Confident	38 Å²	38	72.1 Å²	72.1	15%	0.149	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	115.4	162.7	-63	-72.8	0	0	0	108.1	A1028 Y1029 R1031 F1061 E1071 L1072	Y866-A1028 CarbonylContact O-C 3.51Å; Y866-A1028 VanDerWaalsContact O-CA 3.23Å; Y866-A1028 WeakPolarHBondContact O-CA 3.46Å; Y866-Y1029 PolarHBondContact N-O 2.9Å; Y866-Y1029 PolarHBondContact O-N 2.89Å; Y866-R1031 HydrophobicContact CD2-CB 4.11Å; Y866-R1031 HydrophobicContact CE2-CB 3.87Å; Y866-R1031 HydrophobicContact CE2-CG 3.78Å; Y866-F1061 HydrophobicContact CD2-CD1 4.2Å; Y866-F1061 HydrophobicContact CE2-CB 4.37Å; Y866-F1061 AromaticContact CE2-CD1 3.74Å; Y866-F1061 HydrophobicContact CE2-CD1 3.74Å; Y866-F1061 HydrophobicContact CE2-CG 4.46Å; Y866-F1061 PolarHBondContact OH-O 3.13Å; Y866-E1071 CarbonylContact C-O 3.5Å; Y866-E1071 WeakPolarHBondContact CA-O 3.49Å; Y866-L1072 HydrophobicContact CD1-CB 4.34Å; Y866-L1072 HydrophobicContact CD1-CD1 3.81Å; Y866-L1072 HydrophobicContact CE1-CB 4.43Å; Y866-L1072 HydrophobicContact CE1-CD1 3.81Å; Y866-L1072 HydrophobicContact CG-CD1 4.24Å
867	M	83.3	Confident	71.5	Confident	18 Å²	18	78.6 Å²	78.6	9%	0.089	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	147	176.9	-69.1	-154.3	70.7	0	0	110	H597 V865 A1028 Y1070 E1071 R1073 F1075	H597-M867 HydrophobicContact CB-CE 3.96Å; H597-M867 WeakPolarHBondContact CD2-CE 3.32Å; V865-M867 HydrophobicContact CB-CG 4.29Å; V865-M867 HydrophobicContact CG1-CG 4.01Å; V865-M867 PolarHBondContact O-N 3.47Å; M867-A1028 HydrophobicContact CE-CB 4.35Å; M867-A1028 HydrophobicContact CG-CB 4.07Å; M867-Y1070 VanDerWaalsContact C-CD1 3.5Å; M867-Y1070 CarbonylContact O-C 3.45Å; M867-Y1070 WeakPolarHBondContact O-CA 3.28Å; M867-E1071 PolarHBondContact N-O 3.25Å; M867-E1071 WeakPolarHBondContact O-CG 3.19Å; M867-E1071 PolarHBondContact O-N 2.75Å; M867-R1073 HydrophobicContact CG-CB 4.5Å; M867-F1075 HydrophobicContact CG-CE2 4.37Å; M867-F1075 HydrophobicContact SD-CE2 3.66Å; M867-F1075 HydrophobicContact SD-CZ 3.41Å; M867-F1075 WeakPolarHBondContact SD-CZ 3.44Å
868	P	80.2	Confident	68.4	Low	29 Å²	29	84.5 Å²	84.5	19%	0.188	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.8	178.1	30.6	-37.1	0	0	0	111.3	Q870 L1026 T1069 Y1070	P868-Q870 PolarHBondContact O-N 2.94Å; P868-L1026 HydrophobicContact CB-CB 3.59Å; P868-L1026 HydrophobicContact CB-CD1 4.05Å; P868-L1026 HydrophobicContact CB-CG 4.44Å; P868-L1026 HydrophobicContact CG-CB 3.94Å; P868-L1026 WeakPolarHBondContact CG-O 3.18Å; P868-T1069 CarbonylContact C-O 3.6Å; P868-T1069 VanDerWaalsContact CA-O 3.22Å; P868-T1069 WeakPolarHBondContact CA-O 3.31Å; P868-Y1070 HydrophobicContact CB-CD1 4.35Å; P868-Y1070 HydrophobicContact CB-CE1 4.15Å
869	I	81	Confident	65.4	Low	76 Å²	76	90.7 Å²	90.7	39%	0.39	42%	0.423	S	S	.	.			trans	-70.3	113.2	178.1	-61.6	177.1	0	0	0	108.5	Q871 T1069 E1071	I869-Q871 PolarHBondContact O-N 3.07Å; I869-Q871 VanDerWaalsContact O-N 3.12Å; I869-T1069 PolarHBondContact N-O 3.42Å; I869-E1071 HydrophobicContact CD1-CB 4.26Å; I869-E1071 HydrophobicContact CG1-CB 3.81Å; I869-E1071 HydrophobicContact CG1-CG 3.77Å
870	Q	67.7	Low	62.4	Low	141 Å²	141	95 Å²	95	66%	0.659	44%	0.444	S	S	*	.			trans	-71.7	104.6	174.3	-71.5	-177.6	-19.2	0	0	109.7	P868 Q872	P868-Q870 PolarHBondContact O-N 2.94Å; Q870-Q872 PolarHBondContact O-N 3.5Å; Q870-Q872 VanDerWaalsContact O-N 3.1Å
871	Q	56.8	Low	59.3	Low	178 Å²	178	102.7 Å²	102.7	83%	0.832	48%	0.477	S	S	*	.			trans	-62.2	112.3	169.2	-66.8	-177.2	2.5	0	0	109	I869 Q873	I869-Q871 PolarHBondContact O-N 3.07Å; I869-Q871 VanDerWaalsContact O-N 3.12Å; Q871-Q873 PolarHBondContact O-N 3.11Å
872	Q	46.5	Very low	56.5	Low	169 Å²	169	108.5 Å²	108.5	79%	0.79	51%	0.51	S	S	*	.			trans	-66.6	99.6	177	-67.8	-176.3	3.1	0	0	109.5	Q870 Q874	Q870-Q872 PolarHBondContact O-N 3.5Å; Q870-Q872 VanDerWaalsContact O-N 3.1Å; Q872-Q874 PolarHBondContact O-N 3.22Å
873	Q	37	Very low	53.6	Low	156 Å²	156	112 Å²	112	73%	0.729	54%	0.536	S	S	*	.			trans	-65.6	102.2	166.9	-71.7	-176.4	-13	0	0	108.2	Q871 H875	Q871-Q873 PolarHBondContact O-N 3.11Å; Q873-H875 PolarHBondContact O-N 3.02Å
874	Q	29.8	Very low	50.9	Low	158 Å²	158	115.9 Å²	115.9	74%	0.738	57%	0.567	S	S	*	*			trans	-67.7	78.6	170.2	-69.8	-177.1	-5.3	0	0	109.3	Q872 H876	Q872-Q874 PolarHBondContact O-N 3.22Å; Q874-H876 PolarHBondContact O-N 3.33Å
875	H	33.2	Very low	48.3	Very low	145 Å²	145	123.5 Å²	123.5	67%	0.671	60%	0.602	S	S	*	*			trans	-69.5	75	165.2	-91	-73.4	0	0	0	109.2	Q873 H877	Q873-H875 PolarHBondContact O-N 3.02Å; H875-H877 VanDerWaalsContact C-N 3.27Å; H875-H877 PolarHBondContact O-N 3.02Å
876	H	31.3	Very low	45.8	Very low	160 Å²	160	131.1 Å²	131.1	74%	0.741	64%	0.64	S	S	*	*			trans	-60.4	95.6	157.4	-88	-65.3	0	0	0	107.9	Q874 H878	Q874-H876 PolarHBondContact O-N 3.33Å; H876-H878 VanDerWaalsContact C-N 3.28Å; H876-H878 PolarHBondContact O-N 2.86Å
877	H	32.3	Very low	43.5	Very low	155 Å²	155	137 Å²	137	72%	0.718	67%	0.672	S	S	*	*			trans	-63.8	94.6	162.5	-91.2	-86.6	0	0	0	108.2	H875 H879	H875-H877 VanDerWaalsContact C-N 3.27Å; H875-H877 PolarHBondContact O-N 3.02Å; H877-H879 PolarHBondContact O-N 3.44Å
878	H	31	Very low	41.2	Very low	184 Å²	184	140.4 Å²	140.4	85%	0.852	70%	0.698	S	S	*	*			trans	-65.7	88.2	161.4	-109.2	-41.2	0	0	0	108	H876 Q880	H876-H878 VanDerWaalsContact C-N 3.28Å; H876-H878 PolarHBondContact O-N 2.86Å; H878-Q880 PolarHBondContact O-N 3.29Å
879	H	32.7	Very low	39.2	Very low	146 Å²	146	144.8 Å²	144.8	68%	0.676	72%	0.719	S	S	*	*			trans	-70.7	80.1	160.2	-100.3	-71.7	0	0	0	108.3	H877 F881	H877-H879 PolarHBondContact O-N 3.44Å; H879-F881 VanDerWaalsContact C-N 3.34Å; H879-F881 PolarHBondContact O-N 2.86Å
880	Q	33.2	Very low	37.2	Very low	159 Å²	159	148 Å²	148	74%	0.743	73%	0.733	S	S	*	*			trans	-68.9	95.8	165.6	-177.6	170.1	-16.1	0	0	107.7	H878 D882	H878-Q880 PolarHBondContact O-N 3.29Å; Q880-D882 PolarHBondContact O-N 3.06Å
881	F	29.7	Very low	35.6	Very low	175 Å²	175	147.6 Å²	147.6	77%	0.768	73%	0.732	S	S	*	*			trans	-73.1	76.5	173.9	-109.8	-84.5	0	0	0	109.8	H879 S883	H879-F881 VanDerWaalsContact C-N 3.34Å; H879-F881 PolarHBondContact O-N 2.86Å; F881-S883 PolarHBondContact O-N 2.91Å; F881-S883 PolarHBondContact O-OG 3.09Å
882	D	36.4	Very low	34.7	Very low	142 Å²	142	146 Å²	146	76%	0.759	73%	0.727	S	S	*	*			trans	-66.7	125.6	173.4	-156.4	-7.4	0	0	0	109.6	Q880	Q880-D882 PolarHBondContact O-N 3.06Å
883	S	32.7	Very low	34.1	Very low	87 Å²	87	144 Å²	144	61%	0.608	72%	0.721	S	S	*	*			trans	-132.9	81.2	-159.8	-64.8	0	0	0	0	111.6	F881	F881-S883 PolarHBondContact O-N 2.91Å; F881-S883 PolarHBondContact O-OG 3.09Å
884	S	34.1	Very low	33.9	Very low	108 Å²	108	141.2 Å²	141.2	76%	0.755	72%	0.715	S	S	*	*			trans	-168.7	148.8	162.1	-87.6	0	0	0	0	114.1
885	Q	36.2	Very low	34	Very low	170 Å²	170	139.3 Å²	139.3	79%	0.794	72%	0.715	S	S	*	*			trans	69.2	140.6	173.5	-38.2	-169.5	20.7	0	0	114.6
886	M	33.2	Very low	34.1	Very low	159 Å²	159	140.6 Å²	140.6	78%	0.783	72%	0.721	S	S	*	*			cis	-130	148.9	4.3	-61.3	178	172.5	0	0	108.1
887	I	35.4	Very low	34	Very low	162 Å²	162	137.6 Å²	137.6	83%	0.831	72%	0.718	S	S	*	*				52.8	121	61.9	-56.8	177.1	0	0	0	110.9
888	S	34.7	Very low	34.1	Very low	90 Å²	90	135.9 Å²	135.9	63%	0.629	72%	0.719	S	S	*	*			cis	-159.4	160.2	-9.7	-169.3	0	0	0	0	105.8
889	N	38.2	Very low	34.2	Very low	120 Å²	120	132.1 Å²	132.1	64%	0.642	71%	0.713	S	S	*	*				169.9	144.5	83	-102.8	-32.4	0	0	0	112.2
890	Q	38.5	Very low	34.5	Very low	145 Å²	145	129.9 Å²	129.9	68%	0.678	71%	0.714	S	S	*	*			trans	66.9	145.7	138.7	-61.5	175.7	12.2	0	0	119.7
891	M	34.8	Very low	34.5	Very low	131 Å²	131	128.3 Å²	128.3	65%	0.645	72%	0.715	S	S	*	*			cis	-165	149.9	-10	-118.1	168.5	-178.8	0	0	111.5
892	M	37.7	Very low	34.4	Very low	146 Å²	146	125.5 Å²	125.5	72%	0.719	72%	0.716	S	S	*	*			trans	65.5	155.9	150.2	-64.2	-175.9	-175.5	0	0	117.9
893	N	34.4	Very low	34.4	Very low	125 Å²	125	124.5 Å²	124.5	67%	0.668	72%	0.717	S	S	*	*			cis	-165.7	158.4	-11	-108.2	8.8	0	0	0	108
894	T	33.6	Very low	34.2	Very low	98 Å²	98	126.9 Å²	126.9	60%	0.601	72%	0.723	S	S	*	*			cis	-169.8	153.7	-21.5	15.1	0	0	0	0	108.5
895	T	31.1	Very low	34.1	Very low	119 Å²	119	128.9 Å²	128.9	73%	0.73	72%	0.715	S	S	*	*			trans	63.8	157.4	162.9	49.7	0	0	0	0	117.1
896	Q	35.6	Very low	33.9	Very low	172 Å²	172	126.9 Å²	126.9	80%	0.804	70%	0.703	S	S	*	*			cis	-149.5	177.3	8.2	-135.6	155.2	68.4	0	0	111.8
897	S	29.6	Very low	33.9	Very low	97 Å²	97	125.7 Å²	125.7	68%	0.678	71%	0.707	S	S	*	*			trans	-63.3	154.5	174.5	50.4	0	0	0	0	113.6
898	T	33.7	Very low	33.5	Very low	119 Å²	119	123.6 Å²	123.6	73%	0.73	69%	0.694	S	S	*	*				-173.4	159.8	75.9	44	0	0	0	0	114.7
899	S	33.8	Very low	33.5	Very low	104 Å²	104	127.3 Å²	127.3	73%	0.727	70%	0.701	S	S	*	*			trans	65.6	142	143.8	58.8	0	0	0	0	124.1
900	S	37.3	Very low	33.2	Very low	99 Å²	99	126.5 Å²	126.5	69%	0.692	71%	0.705	S	S	*	*			trans	66.9	112.1	147.3	57.2	0	0	0	0	122.6
901	T	34.5	Very low	32.9	Very low	127 Å²	127	124.8 Å²	124.8	78%	0.779	71%	0.709	S	S	*	*				65.4	117.4	122.2	-46.4	0	0	0	0	121.5
902	C	26.9	Very low	32.8	Very low	116 Å²	116	124.6 Å²	124.6	78%	0.784	72%	0.715	S	S	*	*			trans	12.4	153.4	138.5	-53.6	0	0	0	0	121.4
903	P	36.4	Very low	32.7	Very low	120 Å²	120	123 Å²	123	78%	0.779	72%	0.716	S	S	*	*			cis	-144.3	175.4	26.7	42.6	-23.2	0	0	0	119.1
904	L	29.2	Very low	32.5	Very low	138 Å²	138	121.8 Å²	121.8	72%	0.723	72%	0.716	S	S	*	*			trans	-44.6	144.3	156.8	-177.2	90.1	0	0	0	114.9
905	Y	31.8	Very low	32.4	Very low	150 Å²	150	125.5 Å²	125.5	59%	0.588	73%	0.727	S	S	*	*				-160.8	163.5	128	-130.6	-102.8	0	0	0	115.6	H909	Y905-H909 PolarHBondContact OH-NE2 2.94Å
906	K	32	Very low	32.4	Very low	127 Å²	127	125.1 Å²	125.1	55%	0.552	72%	0.724	S	S	*	*			trans	-102.9	-174.4	174.9	-49.1	172.2	-170	167.8	0	110.4
907	P	31.9	Very low	32.3	Very low	135 Å²	135	122.6 Å²	122.6	88%	0.877	72%	0.721	S	S	*	*	S	Bend	trans	-81.3	115.9	137.5	-9.2	27.4	0	0	0	110
908	Q	28.2	Very low	32.4	Very low	118 Å²	118	123.7 Å²	123.7	55%	0.551	72%	0.724	S	S	*	*			trans	-148.3	-178.7	165	-129.7	-179.4	-30.3	0	0	108.2
909	H	34	Very low	32.4	Very low	167 Å²	167	123 Å²	123	77%	0.773	72%	0.719	S	S	*	*			trans	78.1	153	-171.2	-46.4	-68.6	0	0	0	113.8	Y905	Y905-H909 PolarHBondContact OH-NE2 2.94Å
910	S	33	Very low	32.5	Very low	104 Å²	104	125.5 Å²	125.5	73%	0.727	72%	0.719	S	S	*	*			cis	-165.9	167.1	1.2	17.9	0	0	0	0	108.8
911	S	32.4	Very low	32.4	Very low	108 Å²	108	126.2 Å²	126.2	76%	0.755	72%	0.719	S	S	*	*			cis	-170	167.5	-22	51.7	0	0	0	0	108.9
912	T	32.5	Very low	32.4	Very low	128 Å²	128	127 Å²	127	79%	0.785	72%	0.715	S	S	*	*			trans	-66.2	155.4	178.6	-16.9	0	0	0	0	113.9
913	P	35.7	Very low	32.7	Very low	112 Å²	112	128.4 Å²	128.4	73%	0.727	71%	0.711	S	S	*	*				-143.4	169.4	107.1	37.8	-24.3	0	0	0	113.7
914	C	29.9	Very low	32.6	Very low	100 Å²	100	128.7 Å²	128.7	68%	0.676	71%	0.706	S	S	*	*			cis	-169.3	152.2	-25.8	-103.3	0	0	0	0	110.3
915	Q	31.8	Very low	32.7	Very low	176 Å²	176	129.2 Å²	129.2	82%	0.822	70%	0.704	S	S	*	*			trans	66.8	156.2	162	-58.9	165.4	22.3	0	0	116.3
916	T	31.3	Very low	32.8	Very low	111 Å²	111	129.2 Å²	129.2	68%	0.681	71%	0.714	S	S	*	*			cis	-152.7	151.2	11.8	-24.3	0	0	0	0	110.9
917	T	32.2	Very low	32.6	Very low	118 Å²	118	128.7 Å²	128.7	72%	0.724	72%	0.717	S	S	*	*			trans	47.6	135.9	151	46.1	0	0	0	0	121
918	T	33	Very low	32.6	Very low	121 Å²	121	127.9 Å²	127.9	74%	0.742	71%	0.713	S	S	*	*			cis	-176.6	-176.5	3	14.4	0	0	0	0	107.4
919	T	33.3	Very low	32.6	Very low	104 Å²	104	127.7 Å²	127.7	64%	0.638	72%	0.72	S	S	*	*			cis	-165.1	136	-0.4	16	0	0	0	0	108.2
920	H	35.6	Very low	32.4	Very low	156 Å²	156	126.6 Å²	126.6	72%	0.722	72%	0.72	S	S	*	*			trans	55.7	151.3	153.8	-67.7	-97	0	0	0	120.3
921	T	33.9	Very low	32.2	Very low	114 Å²	114	126.6 Å²	126.6	70%	0.699	72%	0.72	S	S	*	*			cis	-147	134.2	11.6	4.9	0	0	0	0	107.5
922	Q	34.6	Very low	32.1	Very low	145 Å²	145	127.7 Å²	127.7	68%	0.678	72%	0.717	S	S	*	*				51.8	135.7	85.2	-72.7	-173.1	-22.7	0	0	114.9
923	M	33.7	Very low	32	Very low	145 Å²	145	126.4 Å²	126.4	71%	0.714	71%	0.709	S	S	*	*			cis	-160.3	171.3	-1.5	-96.9	177.6	-61.9	0	0	107.1
924	N	33.8	Very low	31.8	Very low	125 Å²	125	125.4 Å²	125.4	67%	0.668	70%	0.701	S	S	*	*			cis	-146.4	177.3	0.7	-106.5	-6.3	0	0	0	107.6
925	H	33.1	Very low	31.8	Very low	149 Å²	149	125.7 Å²	125.7	69%	0.69	70%	0.704	S	S	*	*			cis	91.5	138.5	24.4	-140.2	-48	0	0	0	116.7	D927	H925-D927 IonicContact CE1-OD2 3.35Å; H925-D927 PolarHBondContact CE1-OD2 2.59Å; H925-D927 IonicContact ND1-OD2 2.78Å; H925-D927 PolarHBondContact ND1-OD2 3.46Å
926	L	33.4	Very low	31.7	Very low	151 Å²	151	125.4 Å²	125.4	79%	0.791	71%	0.705	S	S	*	*			trans	91.4	147.7	177.3	-59.9	163.1	0	0	0	117.3
927	D	27.7	Very low	31.8	Very low	116 Å²	116	128.2 Å²	128.2	62%	0.62	72%	0.715	S	S	*	*				-178.2	163.2	-64	-97.3	-56.8	0	0	0	110.3	H925	H925-D927 IonicContact CE1-OD2 3.35Å; H925-D927 PolarHBondContact CE1-OD2 2.59Å; H925-D927 IonicContact ND1-OD2 2.78Å; H925-D927 PolarHBondContact ND1-OD2 3.46Å
928	C	30.7	Very low	31.6	Very low	118 Å²	118	129.2 Å²	129.2	80%	0.797	72%	0.716	S	S	*	*			trans	68	170.1	165.6	-67.8	0	0	0	0	119.8
929	T	29.3	Very low	31.8	Very low	113 Å²	113	128.9 Å²	128.9	69%	0.693	72%	0.716	S	S	*	*				-162.7	149.4	-74.8	22.1	0	0	0	0	113.2
930	N	29.2	Very low	31.6	Very low	145 Å²	145	131.1 Å²	131.1	78%	0.775	72%	0.723	S	S	*	*			trans	75.1	122.7	150.5	-63	-11.1	0	0	0	124.6
931	S	30.2	Very low	31.4	Very low	103 Å²	103	130.5 Å²	130.5	72%	0.72	73%	0.731	S	S	*	*				79.9	114.8	124.7	68.7	0	0	0	0	126
932	L	29.6	Very low	31	Very low	132 Å²	132	129.9 Å²	129.9	69%	0.691	73%	0.731	S	S	*	*				87	135.4	122.8	-72	170.8	0	0	0	125
933	T	29.9	Very low	30.9	Very low	101 Å²	101	129.3 Å²	129.3	62%	0.62	74%	0.737	S	S	*	*			trans	91.8	127.6	139.2	40	0	0	0	0	125.3
934	T	31	Very low	30.5	Very low	91 Å²	91	129.3 Å²	129.3	56%	0.558	74%	0.74	S	S	*	*			trans	75.1	111.5	142	40.7	0	0	0	0	124.6
935	S	31.4	Very low	30.3	Very low	105 Å²	105	129.6 Å²	129.6	73%	0.734	75%	0.746	S	S	*	*				112.1	130.1	106.7	73.1	0	0	0	0	122.7
936	M	29.1	Very low	30.1	Very low	171 Å²	171	127.4 Å²	127.4	84%	0.842	75%	0.748	S	S	*	*			trans	86.5	140.7	133.5	-78	-67.7	177.6	0	0	124.4
937	L	32.4	Very low	30	Very low	170 Å²	170	126 Å²	126	89%	0.89	75%	0.751	S	S	*	*			trans	80.5	135.7	157.8	-69.5	163.4	0	0	0	121.3
938	N	29.9	Very low	29.9	Very low	139 Å²	139	127.4 Å²	127.4	74%	0.743	76%	0.758	S	S	*	*			trans	-159.2	134.8	176.8	178.8	43.7	0	0	0	108.3
939	P	37.3	Very low	29.8	Very low	114 Å²	114	127.4 Å²	127.4	74%	0.74	76%	0.758	S	S	*	*			trans	-123.5	150.4	168.5	36.8	-25	0	0	0	114.3
940	N	27.8	Very low	29.8	Very low	150 Å²	150	127.1 Å²	127.1	80%	0.802	76%	0.756	S	S	*	*			trans	-75.4	152.2	-178.5	-51.2	-62.7	0	0	0	113.3
941	V	32	Very low	29.9	Very low	144 Å²	144	125.9 Å²	125.9	87%	0.873	75%	0.754	S	S	*	*			trans	-134.5	133.8	145.6	-178.8	0	0	0	0	108.9
942	S	26.1	Very low	29.7	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	75%	0.753	S	S	*	*			trans	-131.5	139.6	-179.2	57.1	0	0	0	0	110.6
943	V	32.1	Very low	29.9	Very low	133 Å²	133	128.9 Å²	128.9	81%	0.806	76%	0.757	S	S	*	*			trans	-136.8	130.5	169.9	-176.4	0	0	0	0	109.7
944	N	25.2	Very low	29.7	Very low	145 Å²	145	130.5 Å²	130.5	78%	0.775	76%	0.761	S	S	*	*			trans	-112	141.6	178.3	-66.3	-33	0	0	0	110.7
945	T	30	Very low	29.6	Very low	132 Å²	132	135.8 Å²	135.8	81%	0.81	77%	0.771	S	S	*	*			trans	-158.5	120.7	146.1	44.1	0	0	0	0	107.9
946	S	27.8	Very low	29.3	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	77%	0.77	S	S	*	*			cis	94.5	106.8	24.2	83.1	0	0	0	0	115.7
947	S	31.4	Very low	29.2	Very low	122 Å²	122	134.9 Å²	134.9	85%	0.853	76%	0.76	S	S	*	*			trans	-153	138.2	153.1	52.1	0	0	0	0	109.5
948	N	26.4	Very low	28.9	Very low	144 Å²	144	131.9 Å²	131.9	77%	0.77	75%	0.753	S	S	*	*			trans	-119.1	161.8	-167.2	-66.7	-18.9	0	0	0	112.5
949	C	28.6	Very low	28.8	Very low	118 Å²	118	130.2 Å²	130.2	80%	0.797	75%	0.752	S	S	*	*			trans	-169.8	120.6	134	-92.3	0	0	0	0	106.5
950	T	28.4	Very low	28.4	Very low	108 Å²	108	134.2 Å²	134.2	66%	0.663	76%	0.758	S	S	*	*				56.9	131.8	56.2	72.6	0	0	0	0	112
951	T	31	Very low	28.3	Very low	119 Å²	119	131.6 Å²	131.6	73%	0.73	75%	0.752	S	S	*	*			cis	-151.4	136.6	28.4	25.6	0	0	0	0	108.7
952	D	27.5	Very low	28.1	Very low	131 Å²	131	132.3 Å²	132.3	70%	0.701	75%	0.75	S	S	*	*				92.7	152.4	71.9	-91.8	-58.6	0	0	0	116.5
953	H	32.8	Very low	28.3	Very low	167 Å²	167	133.6 Å²	133.6	77%	0.773	75%	0.754	S	S	*	*			trans	75.5	159.5	169.7	-50.6	-50.7	0	0	0	120
954	L	25.9	Very low	28.1	Very low	134 Å²	134	134.2 Å²	134.2	70%	0.702	75%	0.748	S	S	*	*				-174.9	158.1	-54.4	-113.6	173.8	0	0	0	110.5
955	W	28.2	Very low	28.4	Very low	203 Å²	203	133.6 Å²	133.6	77%	0.769	75%	0.752	S	S	*	*			trans	67	140.8	177.9	-56.3	89.4	0	0	0	116.7	I957	W955-I957 HydrophobicContact CE3-CD1 4.41Å
956	N	25.1	Very low	28.2	Very low	134 Å²	134	132.4 Å²	132.4	72%	0.717	74%	0.74	S	S	*	*			cis	113.1	148.6	6	-169.7	23.6	0	0	0	114.6
957	I	27.1	Very low	28.3	Very low	123 Å²	123	133.1 Å²	133.1	63%	0.631	74%	0.741	S	S	*	*			trans	94.9	120.6	163.4	-52.4	178.2	0	0	0	120.4	W955	W955-I957 HydrophobicContact CE3-CD1 4.41Å
958	S	26.9	Very low	28.3	Very low	106 Å²	106	132.4 Å²	132.4	74%	0.741	73%	0.733	S	S	*	*			trans	64.1	148.6	154.5	-67.9	0	0	0	0	121.4
959	S	26.6	Very low	28.3	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	74%	0.735	S	S	*	*			cis	118.4	113.4	2.4	-70.6	0	0	0	0	114.2
960	K	30.2	Very low	28.2	Very low	198 Å²	198	136.7 Å²	136.7	86%	0.861	74%	0.738	S	S	*	*			trans	159.8	126.5	156.1	-87.3	148.4	-170.5	176	0	107.2
961	S	25.5	Very low	28.1	Very low	96 Å²	96	135.4 Å²	135.4	67%	0.671	73%	0.734	S	S	*	*			cis	86.4	142	37.8	77.8	0	0	0	0	114.4
962	L	27.9	Very low	28	Very low	158 Å²	158	135 Å²	135	83%	0.827	72%	0.723	S	S	*	*			trans	88.6	135.3	-177.6	-57.8	153.2	0	0	0	114.2
963	T	29.9	Very low	28.1	Very low	128 Å²	128	131 Å²	131	79%	0.785	70%	0.704	S	S	*	*			cis	-162.4	159.8	-20.6	0.2	0	0	0	0	109.7
964	E	27.2	Very low	28.1	Very low	146 Å²	146	125.5 Å²	125.5	68%	0.682	69%	0.685	S	S	*	*			trans	-74.4	170	168.9	-58.5	-169.6	140.9	0	0	112.8	N966	E964-N966 PolarHBondContact OE2-ND2 3Å
965	P	31.9	Very low	28.3	Very low	132 Å²	132	123.7 Å²	123.7	86%	0.857	67%	0.673	S	S	*	*				-142.2	137.2	95.5	36.9	-21.9	0	0	0	117.8
966	N	26.7	Very low	28.4	Very low	107 Å²	107	118.5 Å²	118.5	57%	0.572	67%	0.667	S	S	*	*			trans	-32.9	141.7	166.2	-74.3	-84.3	0	0	0	122	E964	E964-N966 PolarHBondContact OE2-ND2 3Å
967	T	28.7	Very low	28.8	Very low	118 Å²	118	117.6 Å²	117.6	72%	0.724	67%	0.672	S	S	*	*			trans	69.5	170	135.7	63.7	0	0	0	0	120.3
968	P	32.3	Very low	29.1	Very low	106 Å²	106	117.8 Å²	117.8	69%	0.688	68%	0.684	S	S	*	*			cis	-130.2	174.7	-7.2	17	9	0	0	0	116.9
969	F	26	Very low	29.3	Very low	184 Å²	184	118.1 Å²	118.1	81%	0.807	69%	0.686	S	S	*	*			trans	2.6	148.5	144.5	-61.5	-106.7	0	0	0	119.9
970	L	26.3	Very low	29.4	Very low	168 Å²	168	119.2 Å²	119.2	88%	0.88	69%	0.693	S	S	*	*				-159.2	-174	65	-89.2	172.1	0	0	0	114.3
971	S	26.9	Very low	29.4	Very low	81 Å²	81	115.2 Å²	115.2	57%	0.566	69%	0.689	S	S	*	*			trans	-148.8	169.8	-160.3	58.1	0	0	0	0	116.3
972	F	27.8	Very low	29.6	Very low	112 Å²	112	116.9 Å²	116.9	49%	0.491	70%	0.7	S	S	.	*			trans	74.3	166.1	164.2	-63	-58.9	0	0	0	119.5	K392 Q394	K392-F972 HydrophobicContact CB-CE2 4.4Å; K392-F972 WeakPolarHBondContact O-CD1 3.39Å; K392-F972 VanDerWaalsContact O-CE1 3.24Å; K392-F972 WeakPolarHBondContact O-CE1 3.36Å; Q394-F972 CarbonylContact O-C 3.56Å; Q394-F972 WeakPolarHBondContact O-CB 3.36Å
973	S	30.1	Very low	29.6	Very low	46 Å²	46	114.3 Å²	114.3	32%	0.322	70%	0.695	S	S	.	*				-177.8	-179.1	-55.2	60.9	0	0	0	0	114.3	Q393 Q394	Q393-S973 VanDerWaalsContact CA-OG 3.31Å; Q393-S973 WeakPolarHBondContact CA-OG 3.09Å; Q394-S973 CarbonylContact C-O 3.28Å; Q394-S973 VanDerWaalsContact C-O 3.28Å; Q394-S973 WeakPolarHBondContact CA-O 3.3Å; Q394-S973 PolarHBondContact N-O 3.16Å; Q394-S973 VanDerWaalsContact N-O 3.14Å; Q394-S973 PolarHBondContact N-OG 2.94Å; Q394-S973 PolarHBondContact O-N 3.01Å
974	S	32.2	Very low	29.7	Very low	51 Å²	51	113.7 Å²	113.7	36%	0.357	70%	0.696	S	S	.	*			trans	76.6	162.7	140.7	80.9	0	0	0	0	124.3	Q393 Q394	Q393-S974 WeakPolarHBondContact CB-OG 3.14Å; Q394-S974 PolarHBondContact N-OG 2.94Å
975	Q	30.4	Very low	29.7	Very low	96 Å²	96	114.3 Å²	114.3	45%	0.449	70%	0.702	S	S	.	*			trans	91.5	145.4	171.8	-64.3	178.6	-7.7	0	0	116.2
976	S	31.4	Very low	29.5	Very low	94 Å²	94	112.2 Å²	112.2	66%	0.657	70%	0.696	S	S	*	*			cis	179.4	161.2	-6.4	46.3	0	0	0	0	110.1
977	S	32.1	Very low	29.6	Very low	116 Å²	116	112.7 Å²	112.7	81%	0.811	71%	0.708	S	S	*	*			cis	176.9	144.7	-26.9	54.5	0	0	0	0	109.8
978	S	34.9	Very low	29.4	Very low	126 Å²	126	114 Å²	114	88%	0.881	71%	0.709	S	S	*	*			trans	-151.1	168.8	168	68.7	0	0	0	0	114.6
979	S	30.5	Very low	29.3	Very low	113 Å²	113	115.4 Å²	115.4	79%	0.79	72%	0.719	S	S	*	*			trans	-166.3	150.2	-139.9	54.2	0	0	0	0	115.9
980	C	29.4	Very low	29.3	Very low	128 Å²	128	111.1 Å²	111.1	87%	0.865	71%	0.713	S	S	*	*			trans	-156.2	154	152.8	56.2	0	0	0	0	111.4
981	S	28.6	Very low	29.5	Very low	113 Å²	113	111 Å²	111	79%	0.79	71%	0.712	S	S	*	*			trans	-149.3	145.6	-160	-48.5	0	0	0	0	114.1
982	C	31.4	Very low	29.4	Very low	132 Å²	132	112.1 Å²	112.1	89%	0.892	72%	0.72	S	S	*	*			trans	-153.8	140.6	154	53.4	0	0	0	0	110.6
983	S	26.4	Very low	29.6	Very low	104 Å²	104	112.6 Å²	112.6	73%	0.727	74%	0.737	S	S	*	*			trans	-138.7	143.7	-158.3	-55.4	0	0	0	0	114.5
984	S	33.4	Very low	29.6	Very low	114 Å²	114	122 Å²	122	80%	0.797	77%	0.767	S	S	*	*			trans	-165.4	105.9	156.6	-75.8	0	0	0	0	107.6
985	I	26.6	Very low	29.3	Very low	159 Å²	159	122.8 Å²	122.8	82%	0.815	78%	0.783	S	S	*	*				55.8	114.1	76.9	-54.9	170.6	0	0	0	109.9
986	A	27.2	Very low	29.5	Very low	89 Å²	89	123.4 Å²	123.4	74%	0.736	80%	0.798	S	S	*	*			cis	-152.8	-175.2	-3.4	0	0	0	0	0	108.5
987	S	29.2	Very low	29.6	Very low	117 Å²	117	126.3 Å²	126.3	82%	0.818	80%	0.801	S	S	*	*			cis	-154.6	-174.2	9.5	-157.8	0	0	0	0	111.5
988	I	25.5	Very low	29.5	Very low	145 Å²	145	127.4 Å²	127.4	74%	0.744	80%	0.798	S	S	*	*			trans	-104.1	141.9	179	-58	159.6	0	0	0	110.1
989	C	28.6	Very low	29.2	Very low	135 Å²	135	125.5 Å²	125.5	91%	0.912	79%	0.79	S	S	*	*			trans	-148.3	105.5	157.1	-96.8	0	0	0	0	110.3
990	S	26	Very low	29.3	Very low	95 Å²	95	125.7 Å²	125.7	66%	0.664	79%	0.786	S	S	*	*			trans	-90.5	155.5	163.7	46	0	0	0	0	109.8
991	L	30.4	Very low	29.4	Very low	166 Å²	166	126.3 Å²	126.3	87%	0.869	78%	0.781	S	S	*	*				-165.7	153.6	120	-127.4	67.9	0	0	0	112
992	S	26.4	Very low	29.6	Very low	104 Å²	104	126.8 Å²	126.8	73%	0.727	78%	0.775	S	S	*	*			trans	-97.6	165.4	170.9	49.1	0	0	0	0	111.1
993	S	30.3	Very low	29.7	Very low	121 Å²	121	125.3 Å²	125.3	85%	0.846	76%	0.762	S	S	*	*			trans	-156.3	108	160.9	-82.7	0	0	0	0	110.6
994	Y	30.2	Very low	30.1	Very low	244 Å²	244	126.7 Å²	126.7	96%	0.957	76%	0.761	S	S	*	*			trans	-129.4	125.9	157	-121.3	-83.1	0	0	0	105.5
995	G	27.6	Very low	30.1	Very low	68 Å²	68	128 Å²	128	70%	0.701	76%	0.758	S	S	*	*			trans	-102	148.9	-170.8	0	0	0	0	0	113.3
996	S	33.8	Very low	30.3	Very low	108 Å²	108	126.3 Å²	126.3	76%	0.755	76%	0.756	S	S	*	*			trans	-156.9	122.4	151.3	-91.4	0	0	0	0	113.2
997	Q	32.5	Very low	30.5	Very low	156 Å²	156	127.6 Å²	127.6	73%	0.729	76%	0.755	S	S	*	*			trans	77.3	120.8	139.5	-68.5	-167.8	62.7	0	0	121.7
998	N	30.3	Very low	30.7	Very low	139 Å²	139	128.7 Å²	128.7	74%	0.743	76%	0.757	S	S	*	*			trans	68	141.2	139.2	-47.6	-18.1	0	0	0	118.5
999	A	28.8	Very low	31	Very low	86 Å²	86	129.2 Å²	129.2	71%	0.711	76%	0.761	S	S	*	*			cis	-162.6	161.5	-22.7	0	0	0	0	0	105.8
1000	V	32.3	Very low	31.3	Very low	117 Å²	117	128.7 Å²	128.7	71%	0.709	76%	0.759	S	S	*	*				163.8	131.6	85.9	161.9	0	0	0	0	106.6
1001	N	31.8	Very low	31.6	Very low	140 Å²	140	131 Å²	131	75%	0.749	76%	0.764	S	S	*	*			trans	59.2	156.1	161.4	-59.1	-5.3	0	0	0	118.7
1002	N	32.5	Very low	31.8	Very low	124 Å²	124	129.3 Å²	129.3	66%	0.663	76%	0.76	S	S	*	*			cis	-152	144.2	-1.9	-136.5	11.6	0	0	0	113.7
1003	T	34.3	Very low	32.1	Very low	101 Å²	101	131.1 Å²	131.1	62%	0.62	77%	0.768	S	S	*	*			trans	52.2	140.7	144.2	51.6	0	0	0	0	124.1
1004	N	35.6	Very low	32.1	Very low	133 Å²	133	134.3 Å²	134.3	71%	0.711	77%	0.769	S	S	*	*			trans	80.3	119.3	154.7	-58.2	-18.2	0	0	0	116.5
1005	N	31.4	Very low	32.2	Very low	140 Å²	140	129.1 Å²	129.1	75%	0.749	76%	0.763	S	S	*	*				67.9	130.3	71.7	-66.3	-11.4	0	0	0	111.9
1006	T	32.7	Very low	32.3	Very low	125 Å²	125	132.6 Å²	132.6	77%	0.767	77%	0.77	S	S	*	*			cis	-157.2	169.1	17.7	-9.3	0	0	0	0	113.3
1007	T	29.4	Very low	32.2	Very low	116 Å²	116	130.3 Å²	130.3	71%	0.712	76%	0.763	S	S	*	*			trans	-25.6	139.8	165.7	-20.7	0	0	0	0	118.3
1008	T	34	Very low	32.2	Very low	140 Å²	140	130.5 Å²	130.5	86%	0.859	77%	0.768	S	S	*	*				179.2	158.9	112.8	27.8	0	0	0	0	113.4
1009	N	31.6	Very low	32.2	Very low	156 Å²	156	128.4 Å²	128.4	83%	0.834	76%	0.764	S	S	*	*			trans	-99.6	148.5	-178.2	-61.3	-31.7	0	0	0	112.4
1010	S	35.2	Very low	32.3	Very low	123 Å²	123	130.6 Å²	130.6	86%	0.86	76%	0.763	S	S	*	*			trans	-153.6	152.2	147	60.9	0	0	0	0	110.8
1011	N	33.6	Very low	32	Very low	145 Å²	145	132 Å²	132	78%	0.775	77%	0.766	S	S	*	*			trans	-100.6	175.4	-160.2	-71.7	-34.8	0	0	0	114.6
1012	T	32.8	Very low	32.2	Very low	129 Å²	129	130.5 Å²	130.5	79%	0.791	76%	0.763	S	S	*	*			trans	66.2	108.3	153.5	41.8	0	0	0	0	119.5
1013	T	32.5	Very low	32.6	Very low	143 Å²	143	135 Å²	135	88%	0.877	77%	0.771	S	S	*	*				-161.2	158.9	114.6	11.4	0	0	0	0	111.9	T1015	T1013-T1015 PolarHBondContact O-N 3.07Å
1014	H	30.9	Very low	32.8	Very low	188 Å²	188	138 Å²	138	87%	0.87	78%	0.783	S	S	*	*			trans	-71.2	123.7	-166.1	-62.6	-102.2	0	0	0	114.3
1015	T	32.1	Very low	34	Very low	135 Å²	135	137.5 Å²	137.5	83%	0.828	78%	0.776	S	S	*	*			trans	-149.4	113.3	145.7	-41.2	0	0	0	0	109.8	T1013 G1017	T1013-T1015 PolarHBondContact O-N 3.07Å; T1015-G1017 PolarHBondContact O-N 2.93Å
1016	T	31.4	Very low	35.7	Very low	141 Å²	141	134.8 Å²	134.8	87%	0.865	76%	0.761	S	S	*	*			trans	-80.7	67.5	176.7	52.2	0	0	0	0	110.9	I1018	T1016-I1018 PolarHBondContact O-N 3.32Å
1017	G	30.4	Very low	37.5	Very low	59 Å²	59	130.3 Å²	130.3	61%	0.608	73%	0.734	S	S	*	*			trans	-74	119.7	171	0	0	0	0	0	110.4	T1015 S1019	T1015-G1017 PolarHBondContact O-N 2.93Å; G1017-S1019 PolarHBondContact O-N 3.38Å
1018	I	33	Very low	39.6	Very low	160 Å²	160	125 Å²	125	82%	0.821	70%	0.702	S	S	*	*			trans	-72.4	100.3	173.5	-59.3	174.5	0	0	0	107.6	T1016 L1020	T1016-I1018 PolarHBondContact O-N 3.32Å; I1018-L1020 PolarHBondContact O-N 3.12Å
1019	S	29.5	Very low	41.6	Very low	95 Å²	95	120 Å²	120	66%	0.664	67%	0.668	S	S	*	*			trans	-72.6	109.6	178.4	47.6	0	0	0	0	110.5	G1017 N1021	G1017-S1019 PolarHBondContact O-N 3.38Å; S1019-N1021 VanDerWaalsContact C-N 3.27Å; S1019-N1021 PolarHBondContact O-N 3.09Å
1020	L	31.3	Very low	44.1	Very low	132 Å²	132	113 Å²	113	69%	0.691	63%	0.63	S	S	*	*			trans	-71.1	78.9	176.9	-77.9	165.4	0	0	0	111.2	I1018 T1022	I1018-L1020 PolarHBondContact O-N 3.12Å; L1020-T1022 HydrophobicContact CD2-CG2 4.32Å; L1020-T1022 PolarHBondContact O-N 3.19Å
1021	N	27	Very low	46.4	Very low	146 Å²	146	108.4 Å²	108.4	78%	0.781	59%	0.594	S	S	*	*			trans	-75	46.7	171.3	-100.6	-19.3	0	0	0	112.3	S1019 R1023	S1019-N1021 VanDerWaalsContact C-N 3.27Å; S1019-N1021 PolarHBondContact O-N 3.09Å; N1021-R1023 VanDerWaalsContact C-N 3.27Å; N1021-R1023 PolarHBondContact O-N 2.91Å
1022	T	35.2	Very low	49.2	Very low	110 Å²	110	102.7 Å²	102.7	68%	0.675	56%	0.562	S	S	*	*			trans	-76.4	76.8	173.9	55.1	0	0	0	0	110.2	L1020 N1024	L1020-T1022 HydrophobicContact CD2-CG2 4.32Å; L1020-T1022 PolarHBondContact O-N 3.19Å; T1022-N1024 PolarHBondContact O-N 2.96Å; T1022-N1024 VanDerWaalsContact O-N 3.09Å
1023	R	40	Very low	52.1	Low	218 Å²	218	96.6 Å²	96.6	82%	0.823	52%	0.524	S	S	*	.			trans	-61.2	105.6	171.6	-77.8	-178.8	169.3	-176.4	-3.2	110.3	N1021 E1025	N1021-R1023 VanDerWaalsContact C-N 3.27Å; N1021-R1023 PolarHBondContact O-N 2.91Å; R1023-E1025 PolarHBondContact O-N 2.84Å
1024	N	38.9	Very low	55.1	Low	165 Å²	165	89.8 Å²	89.8	88%	0.882	48%	0.482	S	S	*	.			trans	37.7	28.6	153.4	-62.6	0.3	0	0	0	119.5	T1022 L1026	T1022-N1024 PolarHBondContact O-N 2.96Å; T1022-N1024 VanDerWaalsContact O-N 3.09Å; N1024-L1026 PolarHBondContact O-N 3.34Å
1025	E	60.7	Low	58.1	Low	121 Å²	121	81.3 Å²	81.3	57%	0.565	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-70.7	130	174.6	-68.3	-169	139.2	0	0	110.6	N598 R1023	N598-E1025 PolarHBondContact ND2-OE2 2.82Å; R1023-E1025 PolarHBondContact O-N 2.84Å
1026	L	67.8	Low	61.2	Low	83 Å²	83	74.9 Å²	74.9	44%	0.435	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-68.7	142.2	173.1	-79.2	173.9	0	0	0	110.4	P868 N1024 A1028 Y1070	P868-L1026 HydrophobicContact CB-CB 3.59Å; P868-L1026 HydrophobicContact CB-CD1 4.05Å; P868-L1026 HydrophobicContact CB-CG 4.44Å; P868-L1026 HydrophobicContact CG-CB 3.94Å; P868-L1026 WeakPolarHBondContact CG-O 3.18Å; N1024-L1026 PolarHBondContact O-N 3.34Å; L1026-A1028 PolarHBondContact O-N 3.29Å; L1026-Y1070 HydrophobicContact CD1-CE2 4.36Å
1027	P	70.1	Confident	64.3	Low	31 Å²	31	70.3 Å²	70.3	20%	0.201	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-70.6	128.7	-178.4	29	-34.4	0	0	0	111.2	V594 Y1029 Y1070	V594-P1027 HydrophobicContact CG1-CB 3.92Å; V594-P1027 HydrophobicContact CG2-CB 4.48Å; P1027-Y1029 HydrophobicContact CG-CE1 4.35Å; P1027-Y1029 HydrophobicContact CG-CE2 4.35Å; P1027-Y1029 WeakPolarHBondContact O-CD2 3.4Å; P1027-Y1029 VanDerWaalsContact O-CE2 3.32Å; P1027-Y1029 WeakPolarHBondContact O-CE2 3.2Å; P1027-Y1070 VanDerWaalsContact O-CE1 3.28Å; P1027-Y1070 WeakPolarHBondContact O-CE1 3.47Å; P1027-Y1070 PolarHBondContact O-OH 3.43Å
1028	A	74.6	Confident	67.4	Low	4 Å²	4	67.5 Å²	67.5	3%	0.033	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	159	169.1	0	0	0	0	0	110.8	V594 Y595 V865 Y866 M867 L1026	V594-A1028 CarbonylContact C-O 3.57Å; V594-A1028 WeakPolarHBondContact CA-O 3.5Å; Y595-A1028 HydrophobicContact CD1-CB 4.35Å; Y595-A1028 PolarHBondContact N-O 3.19Å; V865-A1028 HydrophobicContact CG1-CB 3.79Å; Y866-A1028 CarbonylContact O-C 3.51Å; Y866-A1028 VanDerWaalsContact O-CA 3.23Å; Y866-A1028 WeakPolarHBondContact O-CA 3.46Å; M867-A1028 HydrophobicContact CE-CB 4.35Å; M867-A1028 HydrophobicContact CG-CB 4.07Å; L1026-A1028 PolarHBondContact O-N 3.29Å
1029	Y	76.1	Confident	70.4	Confident	37 Å²	37	60.3 Å²	60.3	15%	0.145	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	117.5	-178.2	-58.3	-75.9	0	0	0	112.6	C592 M593 V594 V865 Y866 P1027 R1031 Y1070	C592-Y1029 HydrophobicContact CB-CD1 3.51Å; C592-Y1029 HydrophobicContact CB-CE1 4Å; C592-Y1029 HydrophobicContact CB-CG 3.92Å; C592-Y1029 WeakPolarHBondContact O-CD1 3.29Å; C592-Y1029 VanDerWaalsContact SG-CD1 3.54Å; C592-Y1029 WeakPolarHBondContact SG-CE1 3.29Å; M593-Y1029 CarbonylContact O-C 3.56Å; M593-Y1029 VanDerWaalsContact O-CA 3.31Å; M593-Y1029 WeakPolarHBondContact O-CA 3.33Å; V594-Y1029 HydrophobicContact CG2-CD1 3.96Å; V594-Y1029 HydrophobicContact CG2-CE1 3.65Å; V865-Y1029 CarbonylContact C-O 3.5Å; V865-Y1029 VanDerWaalsContact CA-O 3.3Å; V865-Y1029 WeakPolarHBondContact CA-O 3.39Å; V865-Y1029 WeakPolarHBondContact CG1-O 3.44Å; Y866-Y1029 PolarHBondContact N-O 2.9Å; Y866-Y1029 PolarHBondContact O-N 2.89Å; P1027-Y1029 HydrophobicContact CG-CE1 4.35Å; P1027-Y1029 HydrophobicContact CG-CE2 4.35Å; P1027-Y1029 WeakPolarHBondContact O-CD2 3.4Å; P1027-Y1029 VanDerWaalsContact O-CE2 3.32Å; P1027-Y1029 WeakPolarHBondContact O-CE2 3.2Å; Y1029-R1031 PolarHBondContact O-N 2.71Å; Y1029-Y1070 HydrophobicContact CD2-CD1 4.43Å; Y1029-Y1070 AromaticContact CD2-CE1 3.94Å; Y1029-Y1070 HydrophobicContact CD2-CE1 3.94Å; Y1029-Y1070 AromaticContact CE2-CE1 3.83Å; Y1029-Y1070 HydrophobicContact CE2-CE1 3.83Å; Y1029-Y1070 AromaticContact CE2-CZ 3.75Å
1030	L	83.1	Confident	73.5	Confident	8 Å²	8	55.9 Å²	55.9	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	126	175.6	-178.2	70.3	0	0	0	110.1	M593 E753 R863 V865 Y1032 L1033	M593-L1030 HydrophobicContact CB-CB 3.98Å; M593-L1030 HydrophobicContact CE-CB 4.02Å; M593-L1030 HydrophobicContact CE-CD2 3.76Å; M593-L1030 HydrophobicContact CE-CG 3.78Å; M593-L1030 WeakPolarHBondContact CE-O 3.29Å; M593-L1030 PolarHBondContact O-N 3.28Å; M593-L1030 HydrophobicContact SD-CD2 3.99Å; E753-L1030 HydrophobicContact CG-CD2 3.93Å; R863-L1030 HydrophobicContact CB-CD1 3.97Å; R863-L1030 HydrophobicContact CG-CD1 4.09Å; V865-L1030 HydrophobicContact CG2-CD1 3.91Å; L1030-Y1032 VanDerWaalsContact CD1-O 3.26Å; L1030-Y1032 WeakPolarHBondContact CD1-O 3.33Å; L1030-L1033 HydrophobicContact CD1-CB 4.31Å; L1030-L1033 HydrophobicContact CD2-CB 4.24Å; L1030-L1033 HydrophobicContact CD2-CD1 3.99Å
1031	R	84.7	Confident	76.5	Confident	27 Å²	27	51 Å²	51	10%	0.102	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-42.6	-177.2	178.2	56.2	175.3	179.8	14.3	112	T864 Y866 Y1029 S1057 D1059 F1061 L1072	T864-R1031 PolarHBondContact O-N 3.37Å; Y866-R1031 HydrophobicContact CD2-CB 4.11Å; Y866-R1031 HydrophobicContact CE2-CB 3.87Å; Y866-R1031 HydrophobicContact CE2-CG 3.78Å; Y1029-R1031 PolarHBondContact O-N 2.71Å; R1031-S1057 PolarHBondContact NE-OG 3.18Å; R1031-S1057 PolarHBondContact NH1-OG 2.79Å; R1031-S1057 PolarHBondContact NH2-OG 3.18Å; R1031-D1059 VanDerWaalsContact CZ-O 3.27Å; R1031-D1059 PolarHBondContact NH1-O 3.06Å; R1031-D1059 PolarHBondContact NH2-O 2.79Å; R1031-F1061 VanDerWaalsContact NH1-N 3.13Å; R1031-L1072 HydrophobicContact CB-CD1 4.4Å
1032	Y	91.2	Very high	79.6	Confident	25 Å²	25	54.3 Å²	54.3	10%	0.098	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	148.6	173.1	-57.2	-72.2	0	0	0	111	K841 F843 T864 L1030 I1055 F1056	K841-Y1032 HydrophobicContact CB-CE1 4.19Å; K841-Y1032 HydrophobicContact CD-CE2 4.23Å; K841-Y1032 HydrophobicContact CG-CD2 4.28Å; K841-Y1032 HydrophobicContact CG-CE2 4.18Å; F843-Y1032 HydrophobicContact CE1-CG 4.11Å; F843-Y1032 HydrophobicContact CZ-CD1 4.05Å; F843-Y1032 AromaticContact CZ-CG 3.95Å; F843-Y1032 HydrophobicContact CZ-CG 3.95Å; T864-Y1032 HydrophobicContact CG2-CD2 4.49Å; T864-Y1032 PolarHBondContact N-O 2.99Å; T864-Y1032 PolarHBondContact O-N 3.1Å; T864-Y1032 VanDerWaalsContact O-N 3.1Å; L1030-Y1032 VanDerWaalsContact CD1-O 3.26Å; L1030-Y1032 WeakPolarHBondContact CD1-O 3.33Å; Y1032-I1055 CarbonylContact C-O 3.46Å; Y1032-I1055 WeakPolarHBondContact CA-O 3.45Å; Y1032-F1056 HydrophobicContact CD1-CB 3.73Å; Y1032-F1056 HydrophobicContact CE1-CB 4Å
1033	L	93.2	Very high	82.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	128	168.4	-168.9	158	0	0	0	109.5	E753 L757 Q862 R863 L1030 H1035 L1054 I1055	E753-L1033 HydrophobicContact CG-CD1 4.27Å; E753-L1033 WeakPolarHBondContact OE2-CD1 3.28Å; L757-L1033 HydrophobicContact CD1-CD2 3.95Å; L757-L1033 HydrophobicContact CD2-CD2 4.15Å; Q862-L1033 CarbonylContact O-C 3.55Å; Q862-L1033 WeakPolarHBondContact O-CA 3.14Å; R863-L1033 HydrophobicContact CG-CD1 3.95Å; R863-L1033 HydrophobicContact CG-CG 4.09Å; L1030-L1033 HydrophobicContact CD1-CB 4.31Å; L1030-L1033 HydrophobicContact CD2-CB 4.24Å; L1030-L1033 HydrophobicContact CD2-CD1 3.99Å; L1033-H1035 HydrophobicContact CD2-CB 4.08Å; L1033-L1054 CarbonylContact O-C 3.52Å; L1033-L1054 WeakPolarHBondContact O-CA 3.5Å; L1033-I1055 HydrophobicContact CB-CB 4.1Å; L1033-I1055 HydrophobicContact CB-CD1 4.44Å; L1033-I1055 HydrophobicContact CB-CG1 4.37Å; L1033-I1055 HydrophobicContact CD1-CD1 4.45Å; L1033-I1055 PolarHBondContact N-O 2.68Å; L1033-I1055 PolarHBondContact O-N 2.95Å
1034	V	95.3	Very high	84.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.6	170	-172.9	0	0	0	0	108.7	L830 F843 I845 R861 Q862 L1036 L1054	L830-V1034 HydrophobicContact CD1-CG1 3.87Å; F843-V1034 HydrophobicContact CB-CG2 4.24Å; F843-V1034 HydrophobicContact CD1-CG2 3.37Å; F843-V1034 HydrophobicContact CD2-CG2 3.9Å; F843-V1034 HydrophobicContact CE1-CG2 3.5Å; F843-V1034 HydrophobicContact CE2-CG2 4.01Å; F843-V1034 HydrophobicContact CG-CG2 3.57Å; F843-V1034 HydrophobicContact CZ-CG2 3.82Å; I845-V1034 HydrophobicContact CD1-CB 4.2Å; I845-V1034 HydrophobicContact CD1-CG1 4.03Å; R861-V1034 CarbonylContact C-O 3.56Å; R861-V1034 WeakPolarHBondContact CA-O 3.31Å; Q862-V1034 HydrophobicContact CB-CB 4.46Å; Q862-V1034 PolarHBondContact N-O 3.01Å; Q862-V1034 PolarHBondContact O-N 2.75Å; V1034-L1036 HydrophobicContact CG1-CD2 3.84Å; V1034-L1036 HydrophobicContact CG1-CG 4.07Å; V1034-L1054 HydrophobicContact CB-CG 4.49Å; V1034-L1054 HydrophobicContact CG1-CD1 4.26Å; V1034-L1054 HydrophobicContact CG1-CG 4.35Å; V1034-L1054 HydrophobicContact CG2-CD2 4.12Å; V1034-L1054 HydrophobicContact CG2-CG 4.08Å
1035	H	95.8	Very high	87.5	Confident	10 Å²	10	41 Å²	41	5%	0.046	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	110.3	176.4	-179.2	-156.4	0	0	0	110.3	L757 F859 R861 L1033 R1053	L757-H1035 HydrophobicContact CD1-CB 4.42Å; L757-H1035 HydrophobicContact CD2-CB 4.01Å; F859-H1035 AromaticContact CD2-CD2 3.97Å; F859-H1035 AromaticContact CD2-NE2 3.67Å; F859-H1035 AromaticContact CG-NE2 3.59Å; R861-H1035 HydrophobicContact CG-CB 4.18Å; R861-H1035 PolarHBondContact NE-NE2 2.8Å; L1033-H1035 HydrophobicContact CD2-CB 4.08Å; H1035-R1053 HydrophobicContact CB-CB 4.34Å; H1035-R1053 PolarHBondContact N-O 2.86Å; H1035-R1053 PolarHBondContact O-N 2.82Å
1036	L	96.6	Very high	89.2	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	141.7	179.8	-59.7	-173.6	0	0	0	110.1	I828 L830 I845 F859 L860 V1034 F1038 L1048 L1052	I828-L1036 HydrophobicContact CD1-CD1 4.02Å; I828-L1036 HydrophobicContact CG2-CD1 4.19Å; L830-L1036 HydrophobicContact CD1-CD2 4.13Å; I845-L1036 HydrophobicContact CD1-CD1 3.7Å; I845-L1036 HydrophobicContact CD1-CG 4.31Å; I845-L1036 HydrophobicContact CG2-CD1 4.27Å; F859-L1036 CarbonylContact C-O 3.57Å; F859-L1036 VanDerWaalsContact CA-O 3.22Å; F859-L1036 WeakPolarHBondContact CA-O 3.44Å; F859-L1036 VanDerWaalsContact CB-O 3.31Å; F859-L1036 WeakPolarHBondContact CB-O 3.22Å; L860-L1036 PolarHBondContact N-O 2.88Å; L860-L1036 PolarHBondContact O-N 3.21Å; V1034-L1036 HydrophobicContact CG1-CD2 3.84Å; V1034-L1036 HydrophobicContact CG1-CG 4.07Å; L1036-F1038 HydrophobicContact CB-CE2 3.61Å; L1036-F1038 HydrophobicContact CB-CZ 4.06Å; L1036-F1038 HydrophobicContact CD1-CZ 4.19Å; L1036-L1048 HydrophobicContact CB-CD2 3.92Å; L1036-L1048 HydrophobicContact CD1-CD2 4.32Å; L1036-L1048 HydrophobicContact CG-CD2 4.5Å; L1036-L1052 HydrophobicContact CD2-CD2 3.5Å
1037	R	95.5	Very high	90.6	Very high	45 Å²	45	32.5 Å²	32.5	17%	0.17	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.3	175.3	-65	-178.2	-57.4	-147.4	-13.1	111.4	F859 L1048 H1049 T1050 D1051 R1053	F859-R1037 HydrophobicContact CB-CG 3.9Å; R1037-L1048 CarbonylContact O-C 3.54Å; R1037-L1048 VanDerWaalsContact O-CA 3.32Å; R1037-L1048 WeakPolarHBondContact O-CA 3.4Å; R1037-H1049 VanDerWaalsContact C-CD2 3.43Å; R1037-H1049 PolarHBondContact O-CD2 3.32Å; R1037-H1049 PolarHBondContact O-N 2.83Å; R1037-T1050 VanDerWaalsContact NH2-CB 3.33Å; R1037-D1051 IonicContact CZ-OD1 2.72Å; R1037-D1051 IonicContact CZ-OD2 3.97Å; R1037-D1051 IonicContact NH1-OD2 2.71Å; R1037-D1051 PolarHBondContact NH2-O 3.47Å; R1037-D1051 IonicContact NH2-OD1 3.16Å; R1037-D1051 PolarHBondContact NH2-OD1 3.06Å; R1037-D1051 IonicContact NH2-OD2 3.55Å; R1037-D1051 PolarHBondContact NH2-OD2 3Å; R1037-R1053 VanDerWaalsContact NH1-NH2 3.14Å
1038	F	96.4	Very high	91.9	Very high	1 Å²	1	31 Å²	31	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.5	-169.2	-61.3	-104.4	0	0	0	109.5	I822 I828 Y847 L849 Q857 T858 L860 L1036 L1046 Y1047 L1048 H1049	I822-F1038 HydrophobicContact CD1-CD1 3.75Å; I822-F1038 HydrophobicContact CD1-CE1 3.58Å; I828-F1038 HydrophobicContact CD1-CE1 3.82Å; I828-F1038 HydrophobicContact CD1-CZ 3.85Å; Y847-F1038 HydrophobicContact CD2-CE1 4.29Å; L849-F1038 HydrophobicContact CD1-CB 4.16Å; L849-F1038 HydrophobicContact CD1-CD1 3.31Å; L849-F1038 HydrophobicContact CD1-CD2 4.26Å; L849-F1038 HydrophobicContact CD1-CE1 3.64Å; L849-F1038 HydrophobicContact CD1-CG 3.66Å; L849-F1038 HydrophobicContact CD1-CZ 4.27Å; Q857-F1038 CarbonylContact C-O 3.44Å; Q857-F1038 WeakPolarHBondContact CA-O 3.29Å; Q857-F1038 WeakPolarHBondContact CB-O 3.35Å; T858-F1038 HydrophobicContact CG2-CB 4.2Å; T858-F1038 PolarHBondContact N-O 3.31Å; T858-F1038 PolarHBondContact O-N 3.11Å; L860-F1038 HydrophobicContact CB-CE2 3.68Å; L860-F1038 HydrophobicContact CB-CZ 4.34Å; L1036-F1038 HydrophobicContact CB-CE2 3.61Å; L1036-F1038 HydrophobicContact CB-CZ 4.06Å; L1036-F1038 HydrophobicContact CD1-CZ 4.19Å; F1038-L1046 HydrophobicContact CB-CD1 4.3Å; F1038-L1046 HydrophobicContact CD1-CD2 4.11Å; F1038-L1046 HydrophobicContact CD1-CG 4.39Å; F1038-Y1047 CarbonylContact C-O 3.52Å; F1038-Y1047 WeakPolarHBondContact CA-O 3.3Å; F1038-L1048 HydrophobicContact CD1-CD2 3.88Å; F1038-L1048 HydrophobicContact CD2-CD2 4.22Å; F1038-L1048 HydrophobicContact CE1-CD2 3.6Å; F1038-L1048 HydrophobicContact CE1-CG 4.42Å; F1038-L1048 HydrophobicContact CE2-CD2 3.92Å; F1038-L1048 HydrophobicContact CG-CD2 4.19Å; F1038-L1048 HydrophobicContact CZ-CD2 3.61Å; F1038-H1049 VanDerWaalsContact C-CD2 3.41Å
1039	H	95.1	Very high	92.7	Very high	9 Å²	9	31.8 Å²	31.8	4%	0.042	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154	163.8	77.7	69.4	0	0	0	111.2	K818 C856 Q857 Y1047 H1049 K1087	K818-H1039 PolarHBondContact O-NE2 3.34Å; C856-H1039 VanDerWaalsContact O-CA 3.29Å; C856-H1039 WeakPolarHBondContact O-CA 3.23Å; C856-H1039 WeakPolarHBondContact O-CB 3.3Å; Q857-H1039 HydrophobicContact CB-CB 4.21Å; H1039-Y1047 AromaticContact CE1-CD2 3.71Å; H1039-Y1047 AromaticContact CE1-CG 3.85Å; H1039-Y1047 PolarHBondContact N-O 2.83Å; H1039-Y1047 PolarHBondContact O-N 2.66Å; H1039-H1049 WeakPolarHBondContact CD2-CB 3.49Å; H1039-H1049 AromaticContact CD2-CD2 3.61Å; H1039-H1049 AromaticContact CD2-CG 3.44Å; H1039-H1049 VanDerWaalsContact CD2-CG 3.44Å; H1039-H1049 PolarHBondContact N-CD2 2.69Å; H1039-K1087 HydrophobicContact CB-CD 4.01Å; H1039-K1087 PolarHBondContact CD2-NZ 2.89Å; H1039-K1087 VanDerWaalsContact CD2-NZ 3.25Å; H1039-K1087 PolarHBondContact CE1-NZ 3.39Å; H1039-K1087 PolarHBondContact ND1-NZ 2.87Å; H1039-K1087 PolarHBondContact NE2-NZ 3.21Å
1040	T	95.5	Very high	93.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	147.1	164.1	53	0	0	0	0	110.5	M852 P853 P854 N855 C856 K1045 L1046	M852-T1040 HydrophobicContact CB-CG2 4.21Å; M852-T1040 HydrophobicContact CE-CG2 4.23Å; M852-T1040 HydrophobicContact CG-CG2 3.71Å; M852-T1040 HydrophobicContact SD-CG2 3.94Å; P853-T1040 WeakPolarHBondContact O-CB 3.23Å; P853-T1040 PolarHBondContact O-OG1 2.83Å; P854-T1040 WeakPolarHBondContact CA-OG1 3.32Å; N855-T1040 WeakPolarHBondContact CA-O 3.49Å; N855-T1040 PolarHBondContact N-O 3.39Å; N855-T1040 PolarHBondContact N-OG1 3.39Å; C856-T1040 PolarHBondContact N-OG1 2.76Å; C856-T1040 PolarHBondContact O-N 2.92Å; C856-T1040 PolarHBondContact O-OG1 2.98Å; T1040-K1045 CarbonylContact C-O 3.56Å; T1040-K1045 VanDerWaalsContact CA-O 3.32Å; T1040-K1045 WeakPolarHBondContact CA-O 3.47Å; T1040-L1046 HydrophobicContact CG2-CD1 3.75Å
1041	T	93.7	Very high	94	Very high	29 Å²	29	32.3 Å²	32.3	18%	0.178	16%	0.155	C	C	.	.			trans	-79	173.5	166.5	65.7	0	0	0	0	111.2	N855 S1043 G1044 K1045 Y1047	N855-T1041 PolarHBondContact N-O 3.09Å; T1041-S1043 PolarHBondContact O-N 3.25Å; T1041-S1043 VanDerWaalsContact O-N 3.12Å; T1041-S1043 PolarHBondContact OG1-N 3.34Å; T1041-S1043 PolarHBondContact OG1-OG 2.69Å; T1041-G1044 PolarHBondContact O-N 3.49Å; T1041-K1045 PolarHBondContact N-O 2.84Å; T1041-K1045 PolarHBondContact OG1-N 2.96Å; T1041-Y1047 HydrophobicContact CG2-CD2 3.83Å; T1041-Y1047 HydrophobicContact CG2-CE2 3.48Å; T1041-Y1047 VanDerWaalsContact CG2-CE2 3.48Å
1042	R	92.2	Very high	94.5	Very high	217 Å²	217	31 Å²	31	82%	0.819	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-23.8	167.7	-179.6	176.9	172.9	-162.3	-4.3	113.3	N855	N855-R1042 WeakPolarHBondContact OD1-CA 3.4Å; N855-R1042 PolarHBondContact OD1-N 3.26Å
1043	S	92.4	Very high	94.7	Very high	88 Å²	88	31.7 Å²	31.7	62%	0.615	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	13.6	176.5	74.6	0	0	0	0	113.4	T1041 K1045	T1041-S1043 PolarHBondContact O-N 3.25Å; T1041-S1043 VanDerWaalsContact O-N 3.12Å; T1041-S1043 PolarHBondContact OG1-N 3.34Å; T1041-S1043 PolarHBondContact OG1-OG 2.69Å; S1043-K1045 PolarHBondContact O-N 3.24Å; S1043-K1045 VanDerWaalsContact O-N 3.16Å
1044	G	93.4	Very high	94.7	Very high	15 Å²	15	31.7 Å²	31.7	16%	0.155	15%	0.152	C	C	.	.			trans	67.4	12	179.3	0	0	0	0	0	115.8	K824 T1041	K824-G1044 WeakPolarHBondContact CE-O 3.47Å; T1041-G1044 PolarHBondContact O-N 3.49Å
1045	K	94.8	Very high	94.6	Very high	111 Å²	111	31.7 Å²	31.7	48%	0.483	15%	0.152	S	C	.	.			trans	-79.2	133.3	174.6	-71.9	-172.3	171.1	-160.6	0	109.9	T1040 T1041 S1043 Y1047	T1040-K1045 CarbonylContact C-O 3.56Å; T1040-K1045 VanDerWaalsContact CA-O 3.32Å; T1040-K1045 WeakPolarHBondContact CA-O 3.47Å; T1041-K1045 PolarHBondContact N-O 2.84Å; T1041-K1045 PolarHBondContact OG1-N 2.96Å; S1043-K1045 PolarHBondContact O-N 3.24Å; S1043-K1045 VanDerWaalsContact O-N 3.16Å; K1045-Y1047 HydrophobicContact CB-CE2 3.85Å
1046	L	96.6	Very high	94.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	141.5	-175.6	-165.1	69.4	0	0	0	111.5	H821 I822 P823 Y847 L849 M852 F1038 T1040	H821-L1046 PolarHBondContact CD2-O 3.06Å; I822-L1046 HydrophobicContact CD1-CD2 3.78Å; I822-L1046 HydrophobicContact CD1-CG 4.11Å; I822-L1046 HydrophobicContact CG1-CB 4.28Å; I822-L1046 HydrophobicContact CG1-CD2 4.07Å; I822-L1046 HydrophobicContact CG1-CG 4.07Å; I822-L1046 PolarHBondContact N-O 3.36Å; P823-L1046 WeakPolarHBondContact O-CD2 3.48Å; Y847-L1046 HydrophobicContact CE2-CD2 4.17Å; L849-L1046 HydrophobicContact CB-CD2 4.03Å; L849-L1046 HydrophobicContact CD1-CD2 3.91Å; M852-L1046 HydrophobicContact CE-CD1 4.46Å; M852-L1046 HydrophobicContact SD-CD1 3.53Å; M852-L1046 VanDerWaalsContact SD-CD1 3.53Å; F1038-L1046 HydrophobicContact CB-CD1 4.3Å; F1038-L1046 HydrophobicContact CD1-CD2 4.11Å; F1038-L1046 HydrophobicContact CD1-CG 4.39Å; T1040-L1046 HydrophobicContact CG2-CD1 3.75Å
1047	Y	96.5	Very high	93.7	Very high	22 Å²	22	32.5 Å²	32.5	9%	0.086	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	136.6	178.3	-68.8	-99.5	0	0	0	112	K818 Y820 H821 F1038 H1039 T1041 K1045	K818-Y1047 HydrophobicContact CB-CD1 3.98Å; K818-Y1047 HydrophobicContact CB-CE1 3.78Å; Y820-Y1047 CarbonylContact O-C 3.56Å; Y820-Y1047 WeakPolarHBondContact O-CA 3.23Å; H821-Y1047 HydrophobicContact CB-CD1 3.91Å; H821-Y1047 HydrophobicContact CB-CE1 3.56Å; H821-Y1047 AromaticContact CD2-CE1 3.83Å; H821-Y1047 AromaticContact CD2-CE2 3.75Å; H821-Y1047 AromaticContact CD2-CZ 3.48Å; H821-Y1047 VanDerWaalsContact CD2-CZ 3.48Å; F1038-Y1047 CarbonylContact C-O 3.52Å; F1038-Y1047 WeakPolarHBondContact CA-O 3.3Å; H1039-Y1047 AromaticContact CE1-CD2 3.71Å; H1039-Y1047 AromaticContact CE1-CG 3.85Å; H1039-Y1047 PolarHBondContact N-O 2.83Å; H1039-Y1047 PolarHBondContact O-N 2.66Å; T1041-Y1047 HydrophobicContact CG2-CD2 3.83Å; T1041-Y1047 HydrophobicContact CG2-CE2 3.48Å; T1041-Y1047 VanDerWaalsContact CG2-CE2 3.48Å; K1045-Y1047 HydrophobicContact CB-CE2 3.85Å
1048	L	96.6	Very high	92.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.2	158.7	-72.9	174.3	0	0	0	109.4	L774 L811 G819 Y820 I822 I828 L1036 R1037 F1038	L774-L1048 HydrophobicContact CD1-CD1 4.07Å; L774-L1048 HydrophobicContact CD2-CD1 4.01Å; L811-L1048 HydrophobicContact CD1-CB 4Å; G819-L1048 CarbonylContact C-O 3.53Å; G819-L1048 WeakPolarHBondContact CA-O 3.48Å; Y820-L1048 HydrophobicContact CD1-CD1 4.35Å; Y820-L1048 PolarHBondContact N-O 3.33Å; Y820-L1048 PolarHBondContact O-N 3.46Å; I822-L1048 HydrophobicContact CD1-CG 4.02Å; I822-L1048 HydrophobicContact CG2-CD1 4.47Å; I828-L1048 HydrophobicContact CD1-CD1 4.05Å; I828-L1048 HydrophobicContact CD1-CD2 4.36Å; I828-L1048 HydrophobicContact CD1-CG 4.48Å; I828-L1048 HydrophobicContact CG1-CD1 4.37Å; I828-L1048 HydrophobicContact CG2-CD1 4.39Å; L1036-L1048 HydrophobicContact CB-CD2 3.92Å; L1036-L1048 HydrophobicContact CD1-CD2 4.32Å; L1036-L1048 HydrophobicContact CG-CD2 4.5Å; R1037-L1048 CarbonylContact O-C 3.54Å; R1037-L1048 VanDerWaalsContact O-CA 3.32Å; R1037-L1048 WeakPolarHBondContact O-CA 3.4Å; F1038-L1048 HydrophobicContact CD1-CD2 3.88Å; F1038-L1048 HydrophobicContact CD2-CD2 4.22Å; F1038-L1048 HydrophobicContact CE1-CD2 3.6Å; F1038-L1048 HydrophobicContact CE1-CG 4.42Å; F1038-L1048 HydrophobicContact CE2-CD2 3.92Å; F1038-L1048 HydrophobicContact CG-CD2 4.19Å; F1038-L1048 HydrophobicContact CZ-CD2 3.61Å
1049	H	92.7	Very high	91.3	Very high	20 Å²	20	38.7 Å²	38.7	9%	0.093	19%	0.189	C	C	.	.			trans	-146.2	164.6	-165.1	82	93	0	0	0	118.2	R1037 F1038 H1039 D1051	R1037-H1049 VanDerWaalsContact C-CD2 3.43Å; R1037-H1049 PolarHBondContact O-CD2 3.32Å; R1037-H1049 PolarHBondContact O-N 2.83Å; F1038-H1049 VanDerWaalsContact C-CD2 3.41Å; H1039-H1049 WeakPolarHBondContact CD2-CB 3.49Å; H1039-H1049 AromaticContact CD2-CD2 3.61Å; H1039-H1049 AromaticContact CD2-CG 3.44Å; H1039-H1049 VanDerWaalsContact CD2-CG 3.44Å; H1039-H1049 PolarHBondContact N-CD2 2.69Å; H1049-D1051 PolarHBondContact O-N 2.88Å
1050	T	91.6	Very high	89.7	Confident	52 Å²	52	45.4 Å²	45.4	32%	0.319	22%	0.218	S	C	.	.	S	Bend	trans	64.9	-61.3	179.8	-61	0	0	0	0	112.8	L811 K812 R1037	L811-T1050 PolarHBondContact N-O 3.18Å; K812-T1050 WeakPolarHBondContact CE-O 3.32Å; K812-T1050 PolarHBondContact NZ-O 3.13Å; R1037-T1050 VanDerWaalsContact NH2-CB 3.33Å
1051	D	93.6	Very high	87.9	Confident	4 Å²	4	48 Å²	48	2%	0.021	23%	0.229	C	C	.	.			trans	-166.3	160.8	176.3	57.6	64.7	0	0	0	110.4	Y808 A809 R1037 H1049 R1053	Y808-D1051 HydrophobicContact CD2-CB 4.06Å; Y808-D1051 HydrophobicContact CE1-CB 4.46Å; Y808-D1051 HydrophobicContact CE2-CB 3.32Å; Y808-D1051 WeakPolarHBondContact CE2-OD2 3.41Å; A809-D1051 CarbonylContact O-C 3.58Å; A809-D1051 WeakPolarHBondContact O-CA 3.28Å; A809-D1051 VanDerWaalsContact O-CB 3.23Å; A809-D1051 WeakPolarHBondContact O-CB 3.43Å; R1037-D1051 IonicContact CZ-OD1 2.72Å; R1037-D1051 IonicContact CZ-OD2 3.97Å; R1037-D1051 IonicContact NH1-OD2 2.71Å; R1037-D1051 PolarHBondContact NH2-O 3.47Å; R1037-D1051 IonicContact NH2-OD1 3.16Å; R1037-D1051 PolarHBondContact NH2-OD1 3.06Å; R1037-D1051 IonicContact NH2-OD2 3.55Å; R1037-D1051 PolarHBondContact NH2-OD2 3Å; H1049-D1051 PolarHBondContact O-N 2.88Å; D1051-R1053 WeakPolarHBondContact OD1-CG 3.4Å; D1051-R1053 IonicContact OD1-CZ 3.75Å; D1051-R1053 IonicContact OD1-NE 2.92Å; D1051-R1053 PolarHBondContact OD1-NE 3.22Å; D1051-R1053 IonicContact OD1-NH2 3.75Å; D1051-R1053 PolarHBondContact OD1-NH2 2.65Å; D1051-R1053 IonicContact OD2-CZ 3.31Å; D1051-R1053 IonicContact OD2-NE 3.07Å; D1051-R1053 IonicContact OD2-NH2 2.7Å; D1051-R1053 PolarHBondContact OD2-NH2 3.01Å
1052	L	95.4	Very high	85.9	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.2	163.8	-57.1	173.5	0	0	0	108.3	I772 L774 A809 L811 L830 L1036	I772-L1052 HydrophobicContact CD1-CD1 3.89Å; L774-L1052 HydrophobicContact CD1-CD1 4.46Å; L774-L1052 HydrophobicContact CD2-CD1 4.35Å; A809-L1052 HydrophobicContact CB-CB 4.46Å; A809-L1052 PolarHBondContact N-O 3.42Å; A809-L1052 VanDerWaalsContact N-O 3.08Å; A809-L1052 PolarHBondContact O-N 3.28Å; L811-L1052 HydrophobicContact CD1-CD2 3.86Å; L811-L1052 HydrophobicContact CD1-CG 4Å; L811-L1052 HydrophobicContact CD2-CD1 4.31Å; L811-L1052 HydrophobicContact CD2-CG 4.12Å; L811-L1052 HydrophobicContact CG-CD2 4.48Å; L811-L1052 HydrophobicContact CG-CG 4.08Å; L830-L1052 HydrophobicContact CD1-CD1 4.35Å; L1036-L1052 HydrophobicContact CD2-CD2 3.5Å
1053	R	95.2	Very high	84.2	Confident	39 Å²	39	47 Å²	47	15%	0.147	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133	173.2	-51.2	-176.7	-171.4	-175.1	-6.2	110	L757 G807 H1035 R1037 D1051	L757-R1053 HydrophobicContact CD2-CB 3.88Å; L757-R1053 VanDerWaalsContact O-CD 3.29Å; L757-R1053 WeakPolarHBondContact O-CD 3.46Å; L757-R1053 PolarHBondContact O-NH1 2.88Å; G807-R1053 CarbonylContact O-C 3.59Å; G807-R1053 WeakPolarHBondContact O-CA 3.38Å; H1035-R1053 HydrophobicContact CB-CB 4.34Å; H1035-R1053 PolarHBondContact N-O 2.86Å; H1035-R1053 PolarHBondContact O-N 2.82Å; R1037-R1053 VanDerWaalsContact NH1-NH2 3.14Å; D1051-R1053 WeakPolarHBondContact OD1-CG 3.4Å; D1051-R1053 IonicContact OD1-CZ 3.75Å; D1051-R1053 IonicContact OD1-NE 2.92Å; D1051-R1053 PolarHBondContact OD1-NE 3.22Å; D1051-R1053 IonicContact OD1-NH2 3.75Å; D1051-R1053 PolarHBondContact OD1-NH2 2.65Å; D1051-R1053 IonicContact OD2-CZ 3.31Å; D1051-R1053 IonicContact OD2-NE 3.07Å; D1051-R1053 IonicContact OD2-NH2 2.7Å; D1051-R1053 PolarHBondContact OD2-NH2 3.01Å
1054	L	94.7	Very high	82.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.8	173.4	-83.8	86.1	0	0	0	110.5	I772 M789 L806 G807 L830 L832 F843 L1033 V1034 F1056	I772-L1054 HydrophobicContact CD1-CD1 3.72Å; M789-L1054 HydrophobicContact CE-CD1 3.93Å; M789-L1054 HydrophobicContact SD-CD1 4.36Å; L806-L1054 CarbonylContact C-O 3.52Å; L806-L1054 WeakPolarHBondContact CA-O 3.36Å; G807-L1054 PolarHBondContact N-O 3.42Å; G807-L1054 PolarHBondContact O-N 2.87Å; L830-L1054 HydrophobicContact CD1-CD1 4.43Å; L830-L1054 HydrophobicContact CD2-CD1 4.14Å; L830-L1054 HydrophobicContact CD2-CD2 3.93Å; L832-L1054 HydrophobicContact CB-CD2 4.48Å; L832-L1054 HydrophobicContact CD2-CD2 4.21Å; F843-L1054 HydrophobicContact CD2-CD2 4.29Å; F843-L1054 HydrophobicContact CE2-CD2 3.6Å; F843-L1054 HydrophobicContact CZ-CD2 4.09Å; L1033-L1054 CarbonylContact O-C 3.52Å; L1033-L1054 WeakPolarHBondContact O-CA 3.5Å; V1034-L1054 HydrophobicContact CB-CG 4.49Å; V1034-L1054 HydrophobicContact CG1-CD1 4.26Å; V1034-L1054 HydrophobicContact CG1-CG 4.35Å; V1034-L1054 HydrophobicContact CG2-CD2 4.12Å; V1034-L1054 HydrophobicContact CG2-CG 4.08Å; L1054-F1056 HydrophobicContact CB-CD1 4.24Å
1055	I	92.5	Very high	80.3	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129	161.2	-51.2	177.8	0	0	0	107	M593 M756 L757 P804 Y805 L806 Y1032 L1033	M593-I1055 HydrophobicContact CE-CG2 3.68Å; M593-I1055 HydrophobicContact SD-CG2 4.02Å; M756-I1055 HydrophobicContact CB-CD1 4.21Å; M756-I1055 HydrophobicContact CE-CD1 4.47Å; M756-I1055 HydrophobicContact CE-CG1 4.49Å; M756-I1055 HydrophobicContact CE-CG2 4.07Å; M756-I1055 HydrophobicContact SD-CD1 4.03Å; M756-I1055 HydrophobicContact SD-CG2 4.27Å; L757-I1055 HydrophobicContact CD2-CD1 4.3Å; L757-I1055 HydrophobicContact CD2-CG1 4.33Å; L757-I1055 HydrophobicContact CG-CD1 4.22Å; P804-I1055 HydrophobicContact CB-CG2 3.7Å; P804-I1055 HydrophobicContact CG-CG2 4.16Å; Y805-I1055 WeakPolarHBondContact O-CA 3.45Å; L806-I1055 HydrophobicContact CD1-CG1 4.07Å; Y1032-I1055 CarbonylContact C-O 3.46Å; Y1032-I1055 WeakPolarHBondContact CA-O 3.45Å; L1033-I1055 HydrophobicContact CB-CB 4.1Å; L1033-I1055 HydrophobicContact CB-CD1 4.44Å; L1033-I1055 HydrophobicContact CB-CG1 4.37Å; L1033-I1055 HydrophobicContact CD1-CD1 4.45Å; L1033-I1055 PolarHBondContact N-O 2.68Å; L1033-I1055 PolarHBondContact O-N 2.95Å
1056	F	90.8	Very high	78.2	Confident	3 Å²	3	50.6 Å²	50.6	1%	0.013	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	145.1	178.4	60	-83	0	0	0	111.2	F770 A791 P804 Y805 L832 V840 Y1032 L1054	F770-F1056 HydrophobicContact CD1-CE2 4.24Å; F770-F1056 AromaticContact CD1-CZ 3.98Å; F770-F1056 HydrophobicContact CD1-CZ 3.98Å; F770-F1056 AromaticContact CE1-CE2 3.56Å; F770-F1056 HydrophobicContact CE1-CE2 3.56Å; F770-F1056 AromaticContact CE1-CZ 3.75Å; F770-F1056 HydrophobicContact CE1-CZ 3.75Å; F770-F1056 AromaticContact CZ-CE2 3.91Å; F770-F1056 HydrophobicContact CZ-CE2 3.91Å; F770-F1056 HydrophobicContact CZ-CZ 4.16Å; A791-F1056 HydrophobicContact CB-CZ 3.99Å; P804-F1056 CarbonylContact C-O 3.58Å; P804-F1056 WeakPolarHBondContact CA-O 3.09Å; Y805-F1056 AromaticContact CD2-CD2 3.89Å; Y805-F1056 HydrophobicContact CD2-CD2 3.89Å; Y805-F1056 AromaticContact CD2-CE2 3.42Å; Y805-F1056 HydrophobicContact CD2-CE2 3.42Å; Y805-F1056 VanDerWaalsContact CD2-CE2 3.42Å; Y805-F1056 HydrophobicContact CD2-CZ 4.05Å; Y805-F1056 HydrophobicContact CE2-CE2 4.34Å; Y805-F1056 HydrophobicContact CG-CD2 4.44Å; Y805-F1056 AromaticContact CG-CE2 3.91Å; Y805-F1056 HydrophobicContact CG-CE2 3.91Å; Y805-F1056 HydrophobicContact CG-CZ 4.09Å; Y805-F1056 PolarHBondContact N-O 2.9Å; Y805-F1056 PolarHBondContact O-N 2.94Å; L832-F1056 HydrophobicContact CD2-CB 4.44Å; L832-F1056 HydrophobicContact CD2-CD1 3.77Å; L832-F1056 HydrophobicContact CD2-CD2 4.02Å; L832-F1056 HydrophobicContact CD2-CE1 3.88Å; L832-F1056 HydrophobicContact CD2-CE2 4.12Å; L832-F1056 HydrophobicContact CD2-CG 3.84Å; L832-F1056 HydrophobicContact CD2-CZ 4.06Å; V840-F1056 HydrophobicContact CG1-CD2 4.49Å; Y1032-F1056 HydrophobicContact CD1-CB 3.73Å; Y1032-F1056 HydrophobicContact CE1-CB 4Å; L1054-F1056 HydrophobicContact CB-CD1 4.24Å
1057	S	81.5	Confident	76.2	Confident	23 Å²	23	55.7 Å²	55.7	16%	0.161	26%	0.262	C	S	.	.			trans	-59.2	146.8	173.9	52.9	0	0	0	0	112.8	R1031 D1059	R1031-S1057 PolarHBondContact NE-OG 3.18Å; R1031-S1057 PolarHBondContact NH1-OG 2.79Å; R1031-S1057 PolarHBondContact NH2-OG 3.18Å; S1057-D1059 VanDerWaalsContact C-N 3.33Å; S1057-D1059 PolarHBondContact OG-O 3.44Å
1058	R	75.5	Confident	74.3	Confident	86 Å²	86	57.5 Å²	57.5	33%	0.325	28%	0.282	S	S	.	.	S	Bend	trans	-72.8	-29.7	166.9	-39.5	-164.1	-166.3	174.7	12	112.9	F794 P802 S803 Y805	F794-R1058 PolarHBondContact O-NH2 3.09Å; F794-R1058 VanDerWaalsContact O-NH2 3.09Å; P802-R1058 HydrophobicContact CB-CB 4.4Å; P802-R1058 HydrophobicContact CB-CG 4.21Å; S803-R1058 WeakPolarHBondContact O-CD 3.46Å; S803-R1058 WeakPolarHBondContact O-CG 3.39Å; S803-R1058 PolarHBondContact O-NE 3Å; S803-R1058 PolarHBondContact OG-NH2 3.09Å; Y805-R1058 HydrophobicContact CD1-CG 4.49Å; Y805-R1058 HydrophobicContact CD2-CB 4.1Å; Y805-R1058 HydrophobicContact CD2-CG 3.76Å; Y805-R1058 HydrophobicContact CE1-CG 4.25Å; Y805-R1058 HydrophobicContact CE2-CB 3.59Å; Y805-R1058 HydrophobicContact CE2-CG 3.5Å; Y805-R1058 HydrophobicContact CG-CG 4.26Å
1059	D	66.8	Low	73.2	Confident	91 Å²	91	60.3 Å²	60.3	49%	0.487	30%	0.3	S	S	.	.	S	Bend	trans	-117.2	157.7	-163.9	-163	2.9	0	0	0	112.2	R1031 S1057 F1061	R1031-D1059 VanDerWaalsContact CZ-O 3.27Å; R1031-D1059 PolarHBondContact NH1-O 3.06Å; R1031-D1059 PolarHBondContact NH2-O 2.79Å; S1057-D1059 VanDerWaalsContact C-N 3.33Å; S1057-D1059 PolarHBondContact OG-O 3.44Å; D1059-F1061 PolarHBondContact O-N 3.02Å
1060	K	62.4	Low	72.6	Confident	149 Å²	149	60.7 Å²	60.7	65%	0.648	30%	0.3	S	S	*	.			trans	-77.3	105.5	168.6	-68.3	-170.8	-176.5	176.1	0	108.7	E1062	K1060-E1062 VanDerWaalsContact C-N 3.27Å; K1060-E1062 HydrophobicContact CB-CG 3.97Å; K1060-E1062 WeakPolarHBondContact CD-OE1 3.48Å; K1060-E1062 IonicContact NZ-OE1 3.83Å; K1060-E1062 PolarHBondContact O-N 3.13Å
1061	F	56.7	Low	72.2	Confident	57 Å²	57	61 Å²	61	25%	0.25	30%	0.298	C	S	.	.			trans	-82.9	81.8	173.6	-168	-100.1	0	0	0	108.3	I591 C592 Y866 R1031 D1059 F1063	I591-F1061 HydrophobicContact CG2-CD2 3.79Å; I591-F1061 HydrophobicContact CG2-CE2 4.09Å; C592-F1061 HydrophobicContact CB-CE2 4.27Å; C592-F1061 HydrophobicContact CB-CZ 4.34Å; Y866-F1061 HydrophobicContact CD2-CD1 4.2Å; Y866-F1061 HydrophobicContact CE2-CB 4.37Å; Y866-F1061 AromaticContact CE2-CD1 3.74Å; Y866-F1061 HydrophobicContact CE2-CD1 3.74Å; Y866-F1061 HydrophobicContact CE2-CG 4.46Å; Y866-F1061 PolarHBondContact OH-O 3.13Å; R1031-F1061 VanDerWaalsContact NH1-N 3.13Å; D1059-F1061 PolarHBondContact O-N 3.02Å; F1061-F1063 HydrophobicContact CD1-CD2 4.3Å; F1061-F1063 AromaticContact CE1-CD2 3.69Å; F1061-F1063 HydrophobicContact CE1-CD2 3.69Å; F1061-F1063 AromaticContact CE1-CE2 3.78Å; F1061-F1063 HydrophobicContact CE1-CE2 3.78Å; F1061-F1063 HydrophobicContact CZ-CE2 4.42Å; F1061-F1063 PolarHBondContact O-N 3.25Å
1062	E	52.4	Low	71.8	Confident	150 Å²	150	63.8 Å²	63.8	70%	0.701	31%	0.313	S	S	*	.			trans	-80.1	114.1	179.7	-63.8	-176.6	177.7	0	0	109.2	K1060	K1060-E1062 VanDerWaalsContact C-N 3.27Å; K1060-E1062 HydrophobicContact CB-CG 3.97Å; K1060-E1062 WeakPolarHBondContact CD-OE1 3.48Å; K1060-E1062 IonicContact NZ-OE1 3.83Å; K1060-E1062 PolarHBondContact O-N 3.13Å
1063	F	56.7	Low	71.5	Confident	73 Å²	73	68.4 Å²	68.4	32%	0.32	33%	0.33	S	S	.	.			trans	-85	132.2	169.3	-126.9	-71.6	0	0	0	108	F1061 P1065 Y1070	F1061-F1063 HydrophobicContact CD1-CD2 4.3Å; F1061-F1063 AromaticContact CE1-CD2 3.69Å; F1061-F1063 HydrophobicContact CE1-CD2 3.69Å; F1061-F1063 AromaticContact CE1-CE2 3.78Å; F1061-F1063 HydrophobicContact CE1-CE2 3.78Å; F1061-F1063 HydrophobicContact CZ-CE2 4.42Å; F1061-F1063 PolarHBondContact O-N 3.25Å; F1063-P1065 WeakPolarHBondContact O-CD 3.46Å; F1063-Y1070 HydrophobicContact CD2-CD2 4.35Å; F1063-Y1070 AromaticContact CE1-CD2 3.91Å; F1063-Y1070 HydrophobicContact CE1-CD2 3.91Å; F1063-Y1070 HydrophobicContact CE1-CE2 4.43Å; F1063-Y1070 AromaticContact CE2-CD2 3.44Å; F1063-Y1070 HydrophobicContact CE2-CD2 3.44Å; F1063-Y1070 VanDerWaalsContact CE2-CD2 3.44Å; F1063-Y1070 AromaticContact CE2-CE2 3.96Å; F1063-Y1070 HydrophobicContact CE2-CE2 3.96Å; F1063-Y1070 AromaticContact CE2-CG 3.94Å; F1063-Y1070 HydrophobicContact CE2-CG 3.94Å; F1063-Y1070 AromaticContact CZ-CD2 3.19Å; F1063-Y1070 HydrophobicContact CZ-CD2 3.19Å; F1063-Y1070 AromaticContact CZ-CE2 3.52Å; F1063-Y1070 HydrophobicContact CZ-CE2 3.52Å; F1063-Y1070 HydrophobicContact CZ-CG 4.14Å
1064	D	48.8	Very low	71.2	Confident	51 Å²	51	70.2 Å²	70.2	27%	0.273	35%	0.349	S	S	.	.			trans	-62.3	116.3	173.5	-173.5	-23.5	0	0	0	109.4	R1066 I1067	D1064-R1066 PolarHBondContact O-N 2.98Å; D1064-R1066 VanDerWaalsContact O-N 3.1Å; D1064-R1066 WeakPolarHBondContact OD1-CB 3.44Å; D1064-R1066 WeakPolarHBondContact OD1-CG 3.43Å; D1064-R1066 IonicContact OD1-CZ 2.74Å; D1064-R1066 PolarHBondContact OD1-N 2.89Å; D1064-R1066 IonicContact OD1-NE 2.71Å; D1064-R1066 PolarHBondContact OD1-NE 3.12Å; D1064-R1066 IonicContact OD1-NH2 3.5Å; D1064-R1066 IonicContact OD2-CZ 3.03Å; D1064-R1066 VanDerWaalsContact OD2-CZ 3.31Å; D1064-R1066 IonicContact OD2-NE 3.55Å; D1064-R1066 PolarHBondContact OD2-NE 3.43Å; D1064-R1066 VanDerWaalsContact OD2-NE 3.07Å; D1064-R1066 IonicContact OD2-NH2 2.71Å; D1064-R1066 PolarHBondContact OD2-NH2 3.14Å; D1064-I1067 HydrophobicContact CB-CD1 4.32Å; D1064-I1067 HydrophobicContact CB-CG1 4.15Å; D1064-I1067 CarbonylContact O-C 3.47Å; D1064-I1067 PolarHBondContact O-N 2.84Å
1065	P	54.2	Low	71	Confident	75 Å²	75	73 Å²	73	49%	0.487	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-61.4	-21.8	-178.2	-23.2	35	0	0	0	113.2	F1063 I1067 A1068	F1063-P1065 WeakPolarHBondContact O-CD 3.46Å; P1065-I1067 PolarHBondContact O-N 2.89Å; P1065-A1068 WeakPolarHBondContact O-CB 3.28Å; P1065-A1068 PolarHBondContact O-N 3.21Å
1066	R	50.9	Low	71.1	Confident	165 Å²	165	77 Å²	77	62%	0.623	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-70.9	-14.7	175.9	-56.3	172	-70.1	-162.7	4.3	112.7	P13 D1064	P13-R1066 HydrophobicContact CG-CG 4.27Å; D1064-R1066 PolarHBondContact O-N 2.98Å; D1064-R1066 VanDerWaalsContact O-N 3.1Å; D1064-R1066 WeakPolarHBondContact OD1-CB 3.44Å; D1064-R1066 WeakPolarHBondContact OD1-CG 3.43Å; D1064-R1066 IonicContact OD1-CZ 2.74Å; D1064-R1066 PolarHBondContact OD1-N 2.89Å; D1064-R1066 IonicContact OD1-NE 2.71Å; D1064-R1066 PolarHBondContact OD1-NE 3.12Å; D1064-R1066 IonicContact OD1-NH2 3.5Å; D1064-R1066 IonicContact OD2-CZ 3.03Å; D1064-R1066 VanDerWaalsContact OD2-CZ 3.31Å; D1064-R1066 IonicContact OD2-NE 3.55Å; D1064-R1066 PolarHBondContact OD2-NE 3.43Å; D1064-R1066 VanDerWaalsContact OD2-NE 3.07Å; D1064-R1066 IonicContact OD2-NH2 2.71Å; D1064-R1066 PolarHBondContact OD2-NH2 3.14Å
1067	I	53.7	Low	71	Confident	108 Å²	108	78.1 Å²	78.1	55%	0.554	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-123.7	36.1	-179.3	-32.9	179.9	0	0	0	109.9	D1064 P1065 T1069	D1064-I1067 HydrophobicContact CB-CD1 4.32Å; D1064-I1067 HydrophobicContact CB-CG1 4.15Å; D1064-I1067 CarbonylContact O-C 3.47Å; D1064-I1067 PolarHBondContact O-N 2.84Å; P1065-I1067 PolarHBondContact O-N 2.89Å; I1067-T1069 VanDerWaalsContact C-N 3.27Å; I1067-T1069 PolarHBondContact O-N 3.43Å; I1067-T1069 PolarHBondContact O-OG1 2.86Å
1068	A	58.5	Low	71.5	Confident	60 Å²	60	79.8 Å²	79.8	50%	0.496	40%	0.403	S	S	.	.			trans	-61.6	80.9	-176.4	0	0	0	0	0	112.9	P1065	P1065-A1068 WeakPolarHBondContact O-CB 3.28Å; P1065-A1068 PolarHBondContact O-N 3.21Å
1069	T	73.3	Confident	72.2	Confident	60 Å²	60	77.3 Å²	77.3	37%	0.368	40%	0.398	S	S	.	.			trans	-94.7	-7.6	172.7	42.1	0	0	0	0	111.8	P868 I869 I1067	P868-T1069 CarbonylContact C-O 3.6Å; P868-T1069 VanDerWaalsContact CA-O 3.22Å; P868-T1069 WeakPolarHBondContact CA-O 3.31Å; I869-T1069 PolarHBondContact N-O 3.42Å; I1067-T1069 VanDerWaalsContact C-N 3.27Å; I1067-T1069 PolarHBondContact O-N 3.43Å; I1067-T1069 PolarHBondContact O-OG1 2.86Å
1070	Y	79.2	Confident	73.1	Confident	28 Å²	28	78.1 Å²	78.1	11%	0.11	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.5	-177.5	-67.4	-96.1	0	0	0	112.6	M867 P868 L1026 P1027 Y1029 F1063	M867-Y1070 VanDerWaalsContact C-CD1 3.5Å; M867-Y1070 CarbonylContact O-C 3.45Å; M867-Y1070 WeakPolarHBondContact O-CA 3.28Å; P868-Y1070 HydrophobicContact CB-CD1 4.35Å; P868-Y1070 HydrophobicContact CB-CE1 4.15Å; L1026-Y1070 HydrophobicContact CD1-CE2 4.36Å; P1027-Y1070 VanDerWaalsContact O-CE1 3.28Å; P1027-Y1070 WeakPolarHBondContact O-CE1 3.47Å; P1027-Y1070 PolarHBondContact O-OH 3.43Å; Y1029-Y1070 HydrophobicContact CD2-CD1 4.43Å; Y1029-Y1070 AromaticContact CD2-CE1 3.94Å; Y1029-Y1070 HydrophobicContact CD2-CE1 3.94Å; Y1029-Y1070 AromaticContact CE2-CE1 3.83Å; Y1029-Y1070 HydrophobicContact CE2-CE1 3.83Å; Y1029-Y1070 AromaticContact CE2-CZ 3.75Å; F1063-Y1070 HydrophobicContact CD2-CD2 4.35Å; F1063-Y1070 AromaticContact CE1-CD2 3.91Å; F1063-Y1070 HydrophobicContact CE1-CD2 3.91Å; F1063-Y1070 HydrophobicContact CE1-CE2 4.43Å; F1063-Y1070 AromaticContact CE2-CD2 3.44Å; F1063-Y1070 HydrophobicContact CE2-CD2 3.44Å; F1063-Y1070 VanDerWaalsContact CE2-CD2 3.44Å; F1063-Y1070 AromaticContact CE2-CE2 3.96Å; F1063-Y1070 HydrophobicContact CE2-CE2 3.96Å; F1063-Y1070 AromaticContact CE2-CG 3.94Å; F1063-Y1070 HydrophobicContact CE2-CG 3.94Å; F1063-Y1070 AromaticContact CZ-CD2 3.19Å; F1063-Y1070 HydrophobicContact CZ-CD2 3.19Å; F1063-Y1070 AromaticContact CZ-CE2 3.52Å; F1063-Y1070 HydrophobicContact CZ-CE2 3.52Å; F1063-Y1070 HydrophobicContact CZ-CG 4.14Å
1071	E	83.8	Confident	74	Confident	57 Å²	57	78.4 Å²	78.4	27%	0.266	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.9	173.5	51.5	176.7	127.9	0	0	110	Y866 M867 I869 R1073	Y866-E1071 CarbonylContact C-O 3.5Å; Y866-E1071 WeakPolarHBondContact CA-O 3.49Å; M867-E1071 PolarHBondContact N-O 3.25Å; M867-E1071 WeakPolarHBondContact O-CG 3.19Å; M867-E1071 PolarHBondContact O-N 2.75Å; I869-E1071 HydrophobicContact CD1-CB 4.26Å; I869-E1071 HydrophobicContact CG1-CB 3.81Å; I869-E1071 HydrophobicContact CG1-CG 3.77Å; E1071-R1073 HydrophobicContact CG-CG 4.31Å; E1071-R1073 IonicContact OE1-CZ 3.87Å; E1071-R1073 IonicContact OE1-NE 3.79Å; E1071-R1073 IonicContact OE1-NH2 3.87Å; E1071-R1073 PolarHBondContact OE1-NH2 3.46Å; E1071-R1073 IonicContact OE2-CZ 2.69Å; E1071-R1073 VanDerWaalsContact OE2-CZ 3.29Å; E1071-R1073 IonicContact OE2-NE 2.75Å; E1071-R1073 PolarHBondContact OE2-NE 3.45Å; E1071-R1073 IonicContact OE2-NH2 2.76Å; E1071-R1073 PolarHBondContact OE2-NH2 2.9Å
1072	L	84.9	Confident	75.4	Confident	64 Å²	64	80 Å²	80	34%	0.335	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	112.3	177.1	-171.4	69.2	0	0	0	109.8	T864 Y866 R1031	T864-L1072 HydrophobicContact CG2-CD1 3.74Å; T864-L1072 HydrophobicContact CG2-CD2 4.14Å; T864-L1072 HydrophobicContact CG2-CG 3.8Å; Y866-L1072 HydrophobicContact CD1-CB 4.34Å; Y866-L1072 HydrophobicContact CD1-CD1 3.81Å; Y866-L1072 HydrophobicContact CE1-CB 4.43Å; Y866-L1072 HydrophobicContact CE1-CD1 3.81Å; Y866-L1072 HydrophobicContact CG-CD1 4.24Å; R1031-L1072 HydrophobicContact CB-CD1 4.4Å
1073	R	87.8	Confident	77.2	Confident	97 Å²	97	77.4 Å²	77.4	37%	0.366	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	146.4	177.4	-68.4	-171.2	176.8	-177	5.4	111.7	T864 V865 M867 E1071 F1075	T864-R1073 CarbonylContact C-O 3.31Å; T864-R1073 WeakPolarHBondContact CA-O 3.23Å; V865-R1073 PolarHBondContact N-O 2.93Å; V865-R1073 PolarHBondContact O-N 3.19Å; M867-R1073 HydrophobicContact CG-CB 4.5Å; E1071-R1073 HydrophobicContact CG-CG 4.31Å; E1071-R1073 IonicContact OE1-CZ 3.87Å; E1071-R1073 IonicContact OE1-NE 3.79Å; E1071-R1073 IonicContact OE1-NH2 3.87Å; E1071-R1073 PolarHBondContact OE1-NH2 3.46Å; E1071-R1073 IonicContact OE2-CZ 2.69Å; E1071-R1073 VanDerWaalsContact OE2-CZ 3.29Å; E1071-R1073 IonicContact OE2-NE 2.75Å; E1071-R1073 PolarHBondContact OE2-NE 3.45Å; E1071-R1073 IonicContact OE2-NH2 2.76Å; E1071-R1073 PolarHBondContact OE2-NH2 2.9Å; R1073-F1075 HydrophobicContact CB-CD2 4.49Å; R1073-F1075 HydrophobicContact CB-CE2 3.52Å; R1073-F1075 HydrophobicContact CB-CZ 3.63Å; R1073-F1075 HydrophobicContact CG-CZ 4.44Å
1074	S	90.1	Very high	79	Confident	78 Å²	78	75.5 Å²	75.5	55%	0.545	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.4	172.1	68.1	0	0	0	0	111.3	R863	R863-S1074 CarbonylContact O-C 3.52Å; R863-S1074 VanDerWaalsContact O-CA 3.3Å; R863-S1074 WeakPolarHBondContact O-CA 3.26Å
1075	F	91.1	Very high	81.1	Confident	59 Å²	59	75.1 Å²	75.1	26%	0.259	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.7	-176.5	-59.5	-82.2	0	0	0	109.5	Q862 R863 V865 M867 R1073	Q862-F1075 CarbonylContact C-O 3.56Å; Q862-F1075 VanDerWaalsContact CA-O 3.27Å; Q862-F1075 WeakPolarHBondContact CA-O 3.18Å; R863-F1075 HydrophobicContact CB-CB 4.48Å; R863-F1075 PolarHBondContact N-O 2.95Å; R863-F1075 PolarHBondContact O-N 2.86Å; V865-F1075 HydrophobicContact CB-CE2 4.34Å; V865-F1075 HydrophobicContact CG2-CD2 4.17Å; V865-F1075 HydrophobicContact CG2-CE2 4.39Å; M867-F1075 HydrophobicContact CG-CE2 4.37Å; M867-F1075 HydrophobicContact SD-CE2 3.66Å; M867-F1075 HydrophobicContact SD-CZ 3.41Å; M867-F1075 WeakPolarHBondContact SD-CZ 3.44Å; R1073-F1075 HydrophobicContact CB-CD2 4.49Å; R1073-F1075 HydrophobicContact CB-CE2 3.52Å; R1073-F1075 HydrophobicContact CB-CZ 3.63Å; R1073-F1075 HydrophobicContact CG-CZ 4.44Å
1076	I	92.9	Very high	82.9	Confident	82 Å²	82	76.7 Å²	76.7	42%	0.421	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	107.3	175.9	-69.8	177	0	0	0	108.5	L860 R861 Q862	L860-I1076 HydrophobicContact CD1-CG2 3.87Å; L860-I1076 HydrophobicContact CD2-CG2 3.75Å; L860-I1076 HydrophobicContact CG-CG2 3.75Å; R861-I1076 WeakPolarHBondContact O-CA 3.24Å; Q862-I1076 HydrophobicContact CB-CG1 4.38Å; Q862-I1076 HydrophobicContact CG-CG1 4.12Å
1077	D	90.7	Very high	84.6	Confident	28 Å²	28	72.4 Å²	72.4	15%	0.15	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.4	177.9	-58.7	-74.6	0	0	0	110.7	Q600 L860 R861 R863	Q600-D1077 PolarHBondContact NE2-OD1 2.97Å; L860-D1077 CarbonylContact C-O 3.39Å; L860-D1077 WeakPolarHBondContact CA-O 3.36Å; R861-D1077 HydrophobicContact CB-CB 4.39Å; R861-D1077 PolarHBondContact N-O 3.34Å; R861-D1077 PolarHBondContact O-N 3.35Å; R863-D1077 WeakPolarHBondContact CD-OD2 3.31Å; R863-D1077 IonicContact CZ-OD2 3.96Å; R863-D1077 IonicContact NE-OD2 2.65Å; R863-D1077 VanDerWaalsContact NH1-CG 3.29Å; R863-D1077 IonicContact NH1-OD1 2.83Å; R863-D1077 IonicContact NH1-OD2 3.84Å; R863-D1077 PolarHBondContact NH1-OD2 2.89Å
1078	A	90.7	Very high	85.7	Confident	58 Å²	58	76.6 Å²	76.6	48%	0.479	42%	0.421	S	S	.	.			trans	-144.5	156.9	170.8	0	0	0	0	0	110.1	S1080	A1078-S1080 PolarHBondContact O-N 2.86Å
1079	P	90.2	Very high	85.2	Confident	34 Å²	34	80.5 Å²	80.5	22%	0.221	42%	0.424	C	S	.	.			trans	-56	132.7	171.1	-24.5	35	0	0	0	111.3	F859 R1083	F859-P1079 HydrophobicContact CD1-CG 3.8Å; F859-P1079 HydrophobicContact CD2-CG 4.47Å; F859-P1079 HydrophobicContact CE1-CG 3.54Å; F859-P1079 HydrophobicContact CE2-CG 4.24Å; F859-P1079 HydrophobicContact CG-CG 4.26Å; F859-P1079 HydrophobicContact CZ-CG 3.79Å; F859-P1079 WeakPolarHBondContact O-CD 3.37Å; P1079-R1083 WeakPolarHBondContact O-CA 3.42Å; P1079-R1083 WeakPolarHBondContact O-CG 3.4Å
1080	S	86.2	Confident	83.8	Confident	108 Å²	108	81.4 Å²	81.4	76%	0.755	43%	0.432	S	S	*	.			trans	-100.2	-48.9	173.8	53.7	0	0	0	0	111.5	A1078 P1082 R1083	A1078-S1080 PolarHBondContact O-N 2.86Å; S1080-P1082 CarbonylContact O-C 3.55Å; S1080-R1083 PolarHBondContact O-N 3.46Å
1081	N	81.5	Confident	81.8	Confident	155 Å²	155	84.3 Å²	84.3	83%	0.829	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.2	103.6	-175.9	-168.8	1.7	0	0	0	112.3
1082	P	85.5	Confident	79.6	Confident	89 Å²	89	90.6 Å²	90.6	58%	0.578	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	cis	-78.7	139.1	-12.2	33	-33.9	0	0	0	111.8	S1080 Y1084	S1080-P1082 CarbonylContact O-C 3.55Å; P1082-Y1084 PolarHBondContact O-N 2.82Å; P1082-Y1084 VanDerWaalsContact O-N 3.15Å
1083	R	90.5	Very high	77.6	Confident	96 Å²	96	93 Å²	93	36%	0.362	48%	0.483	S	S	.	.	S	Bend	trans	-56.9	-29.7	176.6	-165.5	175.2	-169.2	-136.8	-9.7	113.7	D848 D851 T858 P1079 S1080	D848-R1083 PolarHBondContact O-NH2 3.14Å; D851-R1083 IonicContact OD1-CZ 2.69Å; D851-R1083 IonicContact OD1-NH1 3.79Å; D851-R1083 PolarHBondContact OD1-NH1 2.88Å; D851-R1083 IonicContact OD2-CZ 3.71Å; D851-R1083 IonicContact OD2-NH1 2.68Å; D851-R1083 PolarHBondContact OD2-NH1 3.16Å; T858-R1083 WeakPolarHBondContact CB-O 3.41Å; T858-R1083 PolarHBondContact OG1-O 3.09Å; P1079-R1083 WeakPolarHBondContact O-CA 3.42Å; P1079-R1083 WeakPolarHBondContact O-CG 3.4Å; S1080-R1083 PolarHBondContact O-N 3.46Å
1084	Y	94.4	Very high	75.5	Confident	33 Å²	33	93.3 Å²	93.3	13%	0.129	49%	0.489	C	S	.	.			trans	-133.5	137.8	-178	-55	-57.5	0	0	0	111.4	L849 D851 M852 T858 P1082	L849-Y1084 HydrophobicContact CD2-CE1 3.95Å; D851-Y1084 PolarHBondContact OD1-OH 3.08Å; D851-Y1084 WeakPolarHBondContact OD2-CE2 3.49Å; D851-Y1084 PolarHBondContact OD2-OH 2.75Å; M852-Y1084 HydrophobicContact CB-CD1 4.21Å; M852-Y1084 HydrophobicContact CB-CE1 3.66Å; M852-Y1084 HydrophobicContact CB-CE2 4.27Å; M852-Y1084 HydrophobicContact CE-CD1 4.18Å; M852-Y1084 HydrophobicContact CG-CD1 3.58Å; M852-Y1084 HydrophobicContact CG-CE1 3.5Å; M852-Y1084 HydrophobicContact CG-CG 4.18Å; M852-Y1084 HydrophobicContact SD-CD1 3.99Å; M852-Y1084 HydrophobicContact SD-CE1 3.84Å; T858-Y1084 HydrophobicContact CG2-CD1 3.92Å; T858-Y1084 HydrophobicContact CG2-CE1 3.95Å; P1082-Y1084 PolarHBondContact O-N 2.82Å; P1082-Y1084 VanDerWaalsContact O-N 3.15Å
1085	S	92.6	Very high	72.9	Confident	44 Å²	44	95.8 Å²	95.8	31%	0.308	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	147.2	172.8	64.8	0	0	0	0	111.2	C856 Q857 K1087	C856-S1085 CarbonylContact C-O 3.53Å; C856-S1085 VanDerWaalsContact CA-O 3.31Å; C856-S1085 WeakPolarHBondContact CA-O 3.28Å; Q857-S1085 WeakPolarHBondContact CG-OG 3.46Å; Q857-S1085 PolarHBondContact N-O 2.87Å; Q857-S1085 PolarHBondContact NE2-OG 3.02Å; Q857-S1085 PolarHBondContact O-N 2.98Å; Q857-S1085 PolarHBondContact O-OG 3.07Å; Q857-S1085 VanDerWaalsContact O-OG 3.04Å; S1085-K1087 PolarHBondContact O-N 3.43Å
1086	P	91.8	Very high	70.6	Confident	107 Å²	107	99.8 Å²	99.8	70%	0.695	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	132	173.4	-23.8	34.9	0	0	0	112	K1088	P1086-K1088 PolarHBondContact O-N 3.03Å; P1086-K1088 VanDerWaalsContact O-N 3.08Å
1087	K	87.2	Confident	68.2	Low	75 Å²	75	102.2 Å²	102.2	33%	0.326	52%	0.521	S	S	.	.			trans	-72.5	101.9	179.6	-170.7	-174.6	-170.5	178.5	0	110.4	N855 H1039 S1085 W1089	N855-K1087 WeakPolarHBondContact O-CB 3.24Å; N855-K1087 PolarHBondContact O-N 3.5Å; H1039-K1087 HydrophobicContact CB-CD 4.01Å; H1039-K1087 PolarHBondContact CD2-NZ 2.89Å; H1039-K1087 VanDerWaalsContact CD2-NZ 3.25Å; H1039-K1087 PolarHBondContact CE1-NZ 3.39Å; H1039-K1087 PolarHBondContact ND1-NZ 2.87Å; H1039-K1087 PolarHBondContact NE2-NZ 3.21Å; S1085-K1087 PolarHBondContact O-N 3.43Å; K1087-W1089 PolarHBondContact O-N 3.23Å
1088	K	76.1	Confident	66	Low	196 Å²	196	106 Å²	106	85%	0.852	54%	0.538	S	S	*	.			trans	-58.7	109.1	179	-67.1	-176.3	179.7	179.4	0	110.9	P1086	P1086-K1088 PolarHBondContact O-N 3.03Å; P1086-K1088 VanDerWaalsContact O-N 3.08Å
1089	W	48.8	Very low	63.7	Low	143 Å²	143	109.8 Å²	109.8	54%	0.542	55%	0.545	S	S	.	.			trans	-69.6	129.3	173.7	-174.6	-92.2	0	0	0	110	K1087 T1091 Q1093	K1087-W1089 PolarHBondContact O-N 3.23Å; W1089-T1091 PolarHBondContact O-N 3.04Å; W1089-Q1093 HydrophobicContact CH2-CB 4.41Å; W1089-Q1093 HydrophobicContact CZ2-CB 3.51Å
1090	S	44	Very low	61.7	Low	78 Å²	78	114.1 Å²	114.1	55%	0.545	56%	0.562	S	S	.	*			trans	-79	121.2	172.6	68.3	0	0	0	0	109.8	R1092 Q1093	S1090-R1092 PolarHBondContact O-N 3.38Å; S1090-Q1093 PolarHBondContact O-N 3.31Å
1091	T	36.3	Very low	59.9	Low	89 Å²	89	114.2 Å²	114.2	55%	0.546	55%	0.55	S	S	.	*	H	α-helix	trans	-52.4	-25	-173.9	-39.5	0	0	0	0	113.4	W1089 Q1093 Q1094 Q1095	W1089-T1091 PolarHBondContact O-N 3.04Å; T1091-Q1093 VanDerWaalsContact C-N 3.27Å; T1091-Q1093 PolarHBondContact O-N 3.04Å; T1091-Q1094 WeakPolarHBondContact O-CA 3.48Å; T1091-Q1094 WeakPolarHBondContact O-CB 3.24Å; T1091-Q1094 PolarHBondContact O-N 3.42Å; T1091-Q1095 PolarHBondContact O-N 2.84Å
1092	R	38.4	Very low	58.1	Low	190 Å²	190	113.9 Å²	113.9	72%	0.717	54%	0.539	S	S	*	.	H	α-helix	trans	-56.4	-33.1	177.3	-146.8	174.9	-168.5	-175.2	3.4	113.8	S1090	S1090-R1092 PolarHBondContact O-N 3.38Å
1093	Q	43.5	Very low	56.5	Low	113 Å²	113	112.6 Å²	112.6	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-79	-29.2	173.1	-71.7	-168.3	-6.1	0	0	112.9	W1089 S1090 T1091 H1097	W1089-Q1093 HydrophobicContact CH2-CB 4.41Å; W1089-Q1093 HydrophobicContact CZ2-CB 3.51Å; S1090-Q1093 PolarHBondContact O-N 3.31Å; T1091-Q1093 VanDerWaalsContact C-N 3.27Å; T1091-Q1093 PolarHBondContact O-N 3.04Å; Q1093-H1097 PolarHBondContact O-N 3.16Å; Q1093-H1097 VanDerWaalsContact O-N 3.09Å
1094	Q	42	Very low	54.6	Low	105 Å²	105	111.3 Å²	111.3	49%	0.491	53%	0.532	S	S	.	.	H	α-helix	trans	-70	-39.9	176.2	-112.6	173.7	7.3	0	0	111.7	T1091 H1097 H1098	T1091-Q1094 WeakPolarHBondContact O-CA 3.48Å; T1091-Q1094 WeakPolarHBondContact O-CB 3.24Å; T1091-Q1094 PolarHBondContact O-N 3.42Å; Q1094-H1097 PolarHBondContact O-N 3.1Å; Q1094-H1098 PolarHBondContact O-N 3.43Å
1095	Q	36.5	Very low	52.4	Low	130 Å²	130	117 Å²	117	61%	0.607	56%	0.557	S	S	*	*	H	α-helix	trans	-58.6	-47.3	174.3	-75.3	177.8	-26.7	0	0	111.7	T1091 H1097 H1099	T1091-Q1095 PolarHBondContact O-N 2.84Å; Q1095-H1097 PolarHBondContact O-N 3.34Å; Q1095-H1099 VanDerWaalsContact O-CB 3.24Å; Q1095-H1099 WeakPolarHBondContact O-CB 3.5Å; Q1095-H1099 PolarHBondContact O-N 3.48Å
1096	H	42.2	Very low	50	Low	143 Å²	143	122.7 Å²	122.7	66%	0.662	57%	0.573	S	S	*	*	H	α-helix	trans	-61.4	-44.1	174.5	-87.6	-80.4	0	0	0	112.6	H1100	H1096-H1100 VanDerWaalsContact O-CB 3.26Å; H1096-H1100 WeakPolarHBondContact O-CB 3.35Å; H1096-H1100 PolarHBondContact O-N 2.9Å
1097	H	44.1	Very low	47.9	Very low	133 Å²	133	127.3 Å²	127.3	62%	0.616	58%	0.577	S	S	*	*	H	α-helix	trans	-67.5	-40.5	179.6	-107.7	51	0	0	0	113.5	Q1093 Q1094 Q1095 Q1101	Q1093-H1097 PolarHBondContact O-N 3.16Å; Q1093-H1097 VanDerWaalsContact O-N 3.09Å; Q1094-H1097 PolarHBondContact O-N 3.1Å; Q1095-H1097 PolarHBondContact O-N 3.34Å; H1097-Q1101 WeakPolarHBondContact O-CB 3.27Å; H1097-Q1101 WeakPolarHBondContact O-CG 3.41Å; H1097-Q1101 PolarHBondContact O-N 2.83Å
1098	H	42.6	Very low	46	Very low	108 Å²	108	131.7 Å²	131.7	50%	0.5	60%	0.596	S	S	.	*	H	α-helix	trans	-65.2	-48.9	173.7	-100.5	-63.7	0	0	0	111.5	Q1094 H1100 Q1101 Y1102	Q1094-H1098 PolarHBondContact O-N 3.43Å; H1098-H1100 VanDerWaalsContact C-N 3.26Å; H1098-H1100 PolarHBondContact O-N 3.29Å; H1098-Q1101 PolarHBondContact O-N 2.97Å; H1098-Q1101 VanDerWaalsContact O-N 3.11Å; H1098-Y1102 AromaticContact ND1-CE2 3.74Å; H1098-Y1102 VanDerWaalsContact O-CD2 3.28Å; H1098-Y1102 WeakPolarHBondContact O-CD2 3.15Å; H1098-Y1102 PolarHBondContact O-N 2.76Å
1099	H	43.6	Very low	44.7	Very low	136 Å²	136	125.9 Å²	125.9	63%	0.63	58%	0.58	S	S	*	*	H	α-helix	trans	-61.7	-36	179.8	-160.8	73.8	0	0	0	111.6	Q1095 T1103	Q1095-H1099 VanDerWaalsContact O-CB 3.24Å; Q1095-H1099 WeakPolarHBondContact O-CB 3.5Å; Q1095-H1099 PolarHBondContact O-N 3.48Å; H1099-T1103 WeakPolarHBondContact O-CB 3.41Å; H1099-T1103 WeakPolarHBondContact O-CG2 3.31Å; H1099-T1103 PolarHBondContact O-N 3.39Å; H1099-T1103 PolarHBondContact O-OG1 3.14Å
1100	H	47.1	Very low	44.8	Very low	126 Å²	126	125 Å²	125	58%	0.583	58%	0.584	S	S	*	*	H	α-helix	trans	-72.2	-32.8	175.4	-146.8	-1.7	0	0	0	113.1	H1096 H1098 T1103 T1104	H1096-H1100 VanDerWaalsContact O-CB 3.26Å; H1096-H1100 WeakPolarHBondContact O-CB 3.35Å; H1096-H1100 PolarHBondContact O-N 2.9Å; H1098-H1100 VanDerWaalsContact C-N 3.26Å; H1098-H1100 PolarHBondContact O-N 3.29Å; H1100-T1103 WeakPolarHBondContact CA-OG1 3Å; H1100-T1103 PolarHBondContact O-OG1 2.98Å; H1100-T1104 WeakPolarHBondContact O-CB 3.42Å; H1100-T1104 WeakPolarHBondContact O-CG2 3.14Å; H1100-T1104 PolarHBondContact O-N 2.96Å; H1100-T1104 PolarHBondContact O-OG1 3.24Å
1101	Q	48.9	Very low	45	Very low	109 Å²	109	127.5 Å²	127.5	51%	0.509	59%	0.592	S	S	.	*	H	α-helix	trans	-73.1	-34.2	173.8	-77	-173	2.8	0	0	113.3	H1097 H1098 K1105	H1097-Q1101 WeakPolarHBondContact O-CB 3.27Å; H1097-Q1101 WeakPolarHBondContact O-CG 3.41Å; H1097-Q1101 PolarHBondContact O-N 2.83Å; H1098-Q1101 PolarHBondContact O-N 2.97Å; H1098-Q1101 VanDerWaalsContact O-N 3.11Å; Q1101-K1105 WeakPolarHBondContact O-CB 3.15Å; Q1101-K1105 WeakPolarHBondContact O-CG 3.25Å; Q1101-K1105 PolarHBondContact O-N 3.34Å
1102	Y	44	Very low	45.1	Very low	149 Å²	149	134.3 Å²	134.3	58%	0.584	62%	0.617	S	S	*	*	H	α-helix	trans	-70.5	-46.3	173.3	-82.4	-74.7	0	0	0	111.2	H1098 K1105 Y1106	H1098-Y1102 AromaticContact ND1-CE2 3.74Å; H1098-Y1102 VanDerWaalsContact O-CD2 3.28Å; H1098-Y1102 WeakPolarHBondContact O-CD2 3.15Å; H1098-Y1102 PolarHBondContact O-N 2.76Å; Y1102-K1105 PolarHBondContact O-N 3.31Å; Y1102-Y1106 PolarHBondContact O-N 3.48Å
1103	T	51.6	Low	45.4	Very low	61 Å²	61	131.6 Å²	131.6	37%	0.374	61%	0.612	S	S	.	*	H	α-helix	trans	-65.1	-39.9	176.8	50.7	0	0	0	0	113.3	H1099 H1100 K1105 Y1106 R1107	H1099-T1103 WeakPolarHBondContact O-CB 3.41Å; H1099-T1103 WeakPolarHBondContact O-CG2 3.31Å; H1099-T1103 PolarHBondContact O-N 3.39Å; H1099-T1103 PolarHBondContact O-OG1 3.14Å; H1100-T1103 WeakPolarHBondContact CA-OG1 3Å; H1100-T1103 PolarHBondContact O-OG1 2.98Å; T1103-K1105 VanDerWaalsContact C-N 3.34Å; T1103-K1105 PolarHBondContact O-N 3.07Å; T1103-Y1106 PolarHBondContact O-N 2.99Å; T1103-R1107 VanDerWaalsContact O-CB 3.27Å; T1103-R1107 WeakPolarHBondContact O-CB 3.35Å; T1103-R1107 PolarHBondContact O-N 2.94Å
1104	T	51.4	Low	45.5	Very low	69 Å²	69	132.5 Å²	132.5	42%	0.423	62%	0.616	S	S	.	*	H	α-helix	trans	-73.2	-22.1	176.6	51.4	0	0	0	0	114.1	H1100 K1108	H1100-T1104 WeakPolarHBondContact O-CB 3.42Å; H1100-T1104 WeakPolarHBondContact O-CG2 3.14Å; H1100-T1104 PolarHBondContact O-N 2.96Å; H1100-T1104 PolarHBondContact O-OG1 3.24Å; T1104-K1108 WeakPolarHBondContact O-CG 2.89Å; T1104-K1108 PolarHBondContact O-N 3.25Å
1105	K	47.8	Very low	45.7	Very low	153 Å²	153	134.1 Å²	134.1	67%	0.665	62%	0.623	S	S	*	*	H	α-helix	trans	-72.1	-51.3	167.5	-79.7	-179.1	175.1	-175.1	0	111.6	Q1101 Y1102 T1103 R1107 K1108 S1109	Q1101-K1105 WeakPolarHBondContact O-CB 3.15Å; Q1101-K1105 WeakPolarHBondContact O-CG 3.25Å; Q1101-K1105 PolarHBondContact O-N 3.34Å; Y1102-K1105 PolarHBondContact O-N 3.31Å; T1103-K1105 VanDerWaalsContact C-N 3.34Å; T1103-K1105 PolarHBondContact O-N 3.07Å; K1105-R1107 VanDerWaalsContact C-N 3.33Å; K1105-R1107 PolarHBondContact O-N 2.72Å; K1105-K1108 PolarHBondContact O-N 3.02Å; K1105-S1109 PolarHBondContact O-N 3.36Å
1106	Y	41.2	Very low	46.3	Very low	164 Å²	164	134.3 Å²	134.3	64%	0.643	62%	0.624	S	S	*	*	H	α-helix	trans	-58.7	-42.4	177.1	-97.6	-90.6	0	0	0	112.4	Y1102 T1103 K1108 S1109 I1110	Y1102-Y1106 PolarHBondContact O-N 3.48Å; T1103-Y1106 PolarHBondContact O-N 2.99Å; Y1106-K1108 PolarHBondContact O-N 2.9Å; Y1106-K1108 VanDerWaalsContact O-N 3.17Å; Y1106-S1109 PolarHBondContact O-N 2.8Å; Y1106-S1109 VanDerWaalsContact O-N 3.1Å; Y1106-S1109 PolarHBondContact O-OG 2.7Å; Y1106-S1109 VanDerWaalsContact O-OG 3.12Å; Y1106-I1110 WeakPolarHBondContact O-CD1 3.45Å; Y1106-I1110 WeakPolarHBondContact O-CG1 3.06Å; Y1106-I1110 PolarHBondContact O-N 3.01Å
1107	R	48	Very low	46.5	Very low	203 Å²	203	133.8 Å²	133.8	77%	0.766	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-6.1	178.4	-152.7	174.4	-168.1	176.2	4.1	114.1	T1103 K1105	T1103-R1107 VanDerWaalsContact O-CB 3.27Å; T1103-R1107 WeakPolarHBondContact O-CB 3.35Å; T1103-R1107 PolarHBondContact O-N 2.94Å; K1105-R1107 VanDerWaalsContact C-N 3.33Å; K1105-R1107 PolarHBondContact O-N 2.72Å
1108	K	48.2	Very low	46.7	Very low	168 Å²	168	133.8 Å²	133.8	73%	0.73	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-12.9	169.2	-78.5	-165.3	172.2	-161.8	0	113.8	T1104 K1105 Y1106	T1104-K1108 WeakPolarHBondContact O-CG 2.89Å; T1104-K1108 PolarHBondContact O-N 3.25Å; K1105-K1108 PolarHBondContact O-N 3.02Å; Y1106-K1108 PolarHBondContact O-N 2.9Å; Y1106-K1108 VanDerWaalsContact O-N 3.17Å
1109	S	48	Very low	47	Very low	74 Å²	74	135.6 Å²	135.6	52%	0.517	63%	0.631	S	S	.	*	S	Bend	trans	-101.4	19.6	172.8	66.1	0	0	0	0	113.1	K1105 Y1106	K1105-S1109 PolarHBondContact O-N 3.36Å; Y1106-S1109 PolarHBondContact O-N 2.8Å; Y1106-S1109 VanDerWaalsContact O-N 3.1Å; Y1106-S1109 PolarHBondContact O-OG 2.7Å; Y1106-S1109 VanDerWaalsContact O-OG 3.12Å
1110	I	52.5	Low	47.2	Very low	123 Å²	123	135.6 Å²	135.6	63%	0.631	63%	0.631	S	S	*	*	S	Bend	trans	-125.3	-8.1	175.5	-67.3	169.7	0	0	0	110.4	Y1106	Y1106-I1110 WeakPolarHBondContact O-CD1 3.45Å; Y1106-I1110 WeakPolarHBondContact O-CG1 3.06Å; Y1106-I1110 PolarHBondContact O-N 3.01Å
1111	N	46.5	Very low	47.2	Very low	132 Å²	132	136.4 Å²	136.4	71%	0.706	64%	0.635	S	S	*	*			trans	-112.3	20.8	176.4	-71.7	34.6	0	0	0	111.7
1112	H	38.7	Very low	47.1	Very low	232 Å²	232	138.9 Å²	138.9	100%	1.074	65%	0.647	S	S	*	*			trans	-145.4	0	173.6	-98.2	-46.5	0	0	0	107.2

Retrieved 1,112 of 1,112 residues in 1638.6 ms (Link to these results)

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