A0A3Q0KLV4_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLV4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,074 aa.

						>A0A3Q0KLV4_SCHMA|A0A3Q0KLV4
MNSCNNKDFSNCCSCATCVFSELIKVGECILDSWCTEDIKALLINLMDNPYLNQLRDDICKLVELNKSKDILYSKMRLYSRMNWDIPGEKRKLLSPQQIDEVEKRVINYLSCLPLVYQKLFILYVLVGSNPSMTSSIGSELQKNLLQEGNFKTGKNEPSIQLPWNISSKIKSFINNQEKEVACKIRGSSSTERQCASSLFRVDPHFMRYTLVPVPVCPIQLKSKVSGEPNSGLFGEPRVVTESNDNTCSQGTKRHLDSSDDWNNLIQKSWDSISYEIKQAYNKIKIRYALMFERNIYCGPFSIYVLLERQPNQPLCKRRVIHVDKRSHWLAHCEGRSQQRTIKFIDIAMKSFREKETSTGIHKRNHNINQLDSTSEFMAHLNRVWLIGHAGSIKTLWLDVKLQILLSGSYDTSIRLWNLSDNTNNHQHCLNQPTNKLSFRNSRSKCIRIFHGHTDTVLCIWLDQTKLWPKYNITSENRPHSSYHYSHDRNNNISNDVNKDEFKATYLFVSGSVDCTCCIWRLDEHKPLWIMKHSTPITSVGLRGYICTTGEHSGRINVWRIGNKKPILIKVLTGHTDVITALRFDNYHLVTSSKDKSVKIWSIIGEFSECIGTLVHTGEVLCVELIDLRIITGCSDGRIRVWNLLTQHCQRILPGNYRHDPIISIMPLENRLIVNTQHNILALNFDTIKWEYHESVEDKAEEFWLKSMKNKSNQQNINSLHSKPSYAESRYIRSCLMNSADPRFFKRSNMIGVRHRSACRSLSEHSKSSGISRISSASSIQSNSNRSNHSLRNNKKKSFEFEFLISPPIPGTCAVKHSVIKRPKSAFAVTKALKQKEHEQLNNLQVLCNNHNNNLLNHSIKQNISPIKHQRTQIKMTNDNTMTTTTSATNNSNISSNNNTTTTSTTNSSINNNNNKSTNIIDYSKLLTKQYLYQSSNDINQFKYYLLKQIHHLKRGQFNNHNKNNIESLKDTYTNLHLNYQPCNETINDLDTIINNDHFHYDKSIETLNKRRPNSSPSINMKLISTDIVQSMLTTSKLHINNNWIQENEQNINLNCIQLPNLIVNYETINLKKK
					

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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	19.8	Very low	26.3	Very low	227 Å²	227	154.6 Å²	154.6	100%	1.118	83%	0.827	S	S	*	*				0	70.8	0	-79.7	-173.6	166.8	0	0	107.5	S3	M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.34Å
2	N	30.2	Very low	26.5	Very low	174 Å²	174	148.5 Å²	148.5	93%	0.93	80%	0.804	S	S	*	*				76.4	5	83.3	-73.2	17.5	0	0	0	115.8
3	S	26.9	Very low	26.7	Very low	97 Å²	97	146.2 Å²	146.2	68%	0.678	80%	0.804	S	S	*	*			trans	-151.2	98	162.6	58	0	0	0	0	108.1	M1	M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.34Å
4	C	23.9	Very low	26.9	Very low	131 Å²	131	141.6 Å²	141.6	89%	0.885	79%	0.787	S	S	*	*			trans	172.6	111.6	135.8	-90.3	0	0	0	0	108.3
5	N	25.2	Very low	27.2	Very low	164 Å²	164	137.1 Å²	137.1	88%	0.877	77%	0.768	S	S	*	*			trans	-57.7	136.1	177.2	-71.2	-39.2	0	0	0	111.9
6	N	27.5	Very low	27.1	Very low	140 Å²	140	130.8 Å²	130.8	75%	0.749	74%	0.738	S	S	*	*			trans	-9.6	139.4	148.2	-68.9	-20.5	0	0	0	117
7	K	26.1	Very low	27.3	Very low	190 Å²	190	128.8 Å²	128.8	83%	0.826	73%	0.73	S	S	*	*			trans	127	108.4	164.3	-74.6	168.3	-172.9	-172	0	107.6
8	D	29.1	Very low	27.6	Very low	139 Å²	139	126.1 Å²	126.1	74%	0.743	72%	0.719	S	S	*	*			cis	-157.5	113.1	28	-71.1	-50.6	0	0	0	109
9	F	26.1	Very low	27.6	Very low	197 Å²	197	123.7 Å²	123.7	86%	0.864	71%	0.707	S	S	*	*			trans	-115.4	71.3	170.2	-92.4	-83.8	0	0	0	109.1	H693	F9-H693 AromaticContact CE1-CE1 3.9Å
10	S	26.7	Very low	27.6	Very low	79 Å²	79	124.5 Å²	124.5	55%	0.552	70%	0.702	S	S	*	*			trans	-147.4	81.8	169.4	65.2	0	0	0	0	109.8
11	N	28.3	Very low	27.9	Very low	163 Å²	163	120.7 Å²	120.7	87%	0.872	68%	0.684	S	S	*	*			trans	174.3	85.9	144.2	-84.9	-17.3	0	0	0	109.8
12	C	28.1	Very low	28.4	Very low	81 Å²	81	114.5 Å²	114.5	55%	0.547	65%	0.653	S	S	.	*			trans	-147.2	86.7	154	-156.7	0	0	0	0	109.3	S14 C15	C12-S14 PolarHBondContact O-N 2.77Å; C12-C15 VanDerWaalsContact SG-SG 3.7Å
13	C	29.4	Very low	28.5	Very low	119 Å²	119	110.9 Å²	110.9	80%	0.804	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	8.3	178.7	-77.6	0	0	0	0	114.4
14	S	29.6	Very low	28.7	Very low	82 Å²	82	110.1 Å²	110.1	57%	0.573	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	-15.1	172.3	54.1	0	0	0	0	113.9	C12	C12-S14 PolarHBondContact O-N 2.77Å
15	C	31.1	Very low	29.2	Very low	73 Å²	73	107.6 Å²	107.6	49%	0.493	59%	0.594	S	S	.	*	H	α-helix	trans	-86.4	-28.8	174.8	-58.9	0	0	0	0	112.3	C12 C18 V19	C12-C15 VanDerWaalsContact SG-SG 3.7Å; C15-C18 PolarHBondContact O-N 3.36Å; C15-V19 WeakPolarHBondContact O-CB 3.11Å; C15-V19 WeakPolarHBondContact O-CG2 3.3Å; C15-V19 PolarHBondContact O-N 2.88Å
16	A	26.4	Very low	29.4	Very low	36 Å²	36	103.3 Å²	103.3	30%	0.298	57%	0.573	S	S	.	*	H	α-helix	trans	-69.2	-34.1	-177.3	0	0	0	0	0	112.7	F20	A16-F20 VanDerWaalsContact O-CB 3.24Å; A16-F20 WeakPolarHBondContact O-CB 3.47Å; A16-F20 PolarHBondContact O-N 2.93Å
17	T	29.8	Very low	29.6	Very low	98 Å²	98	98 Å²	98	60%	0.601	55%	0.552	S	S	*	*	H	α-helix	trans	-70.1	-36	173.4	37.3	0	0	0	0	111.9	S21	T17-S21 VanDerWaalsContact O-CB 3.25Å; T17-S21 WeakPolarHBondContact O-CB 3.42Å; T17-S21 PolarHBondContact O-N 2.76Å
18	C	32.2	Very low	29.9	Very low	79 Å²	79	94 Å²	94	53%	0.534	54%	0.536	S	S	.	.	H	α-helix	trans	-68	-44.2	172.3	-71.7	0	0	0	0	111.9	C15 S21 E22	C15-C18 PolarHBondContact O-N 3.36Å; C18-S21 PolarHBondContact O-N 3Å; C18-S21 PolarHBondContact O-OG 3.16Å; C18-S21 VanDerWaalsContact O-OG 3.12Å; C18-E22 WeakPolarHBondContact O-CB 3.38Å; C18-E22 WeakPolarHBondContact O-CG 3.45Å; C18-E22 PolarHBondContact O-N 3Å
19	V	28.5	Very low	30.3	Very low	81 Å²	81	91.4 Å²	91.4	49%	0.491	53%	0.528	S	S	.	.	H	α-helix	trans	-70.4	-36.9	178.6	174.7	0	0	0	0	111.7	C15 E22 L23	C15-V19 WeakPolarHBondContact O-CB 3.11Å; C15-V19 WeakPolarHBondContact O-CG2 3.3Å; C15-V19 PolarHBondContact O-N 2.88Å; V19-E22 PolarHBondContact O-N 3.24Å; V19-L23 HydrophobicContact CG1-CD1 3.7Å; V19-L23 HydrophobicContact CG1-CG 4.23Å; V19-L23 WeakPolarHBondContact O-CB 3.13Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.18Å; V19-L23 PolarHBondContact O-N 3.19Å
20	F	27.5	Very low	30.4	Very low	139 Å²	139	86.1 Å²	86.1	61%	0.61	51%	0.508	S	S	*	.	H	α-helix	trans	-68.1	-39.7	171.2	-101.3	-88.5	0	0	0	111.5	A16 E22 L23 I24	A16-F20 VanDerWaalsContact O-CB 3.24Å; A16-F20 WeakPolarHBondContact O-CB 3.47Å; A16-F20 PolarHBondContact O-N 2.93Å; F20-E22 VanDerWaalsContact C-N 3.3Å; F20-E22 PolarHBondContact O-N 2.98Å; F20-L23 PolarHBondContact O-N 3.44Å; F20-I24 HydrophobicContact CD1-CD1 4.42Å; F20-I24 VanDerWaalsContact O-CB 3.24Å; F20-I24 WeakPolarHBondContact O-CB 3.26Å; F20-I24 WeakPolarHBondContact O-CD1 3.4Å; F20-I24 WeakPolarHBondContact O-CG1 3.41Å; F20-I24 PolarHBondContact O-N 3.37Å
21	S	32.6	Very low	30.6	Very low	46 Å²	46	85.4 Å²	85.4	32%	0.322	50%	0.498	S	S	.	.	H	α-helix	trans	-66.2	-36	175.5	89.8	0	0	0	0	111.4	T17 C18 K25	T17-S21 VanDerWaalsContact O-CB 3.25Å; T17-S21 WeakPolarHBondContact O-CB 3.42Å; T17-S21 PolarHBondContact O-N 2.76Å; C18-S21 PolarHBondContact O-N 3Å; C18-S21 PolarHBondContact O-OG 3.16Å; C18-S21 VanDerWaalsContact O-OG 3.12Å; S21-K25 VanDerWaalsContact O-CB 3.29Å; S21-K25 WeakPolarHBondContact O-CB 3.28Å; S21-K25 WeakPolarHBondContact O-CD 3.4Å; S21-K25 WeakPolarHBondContact O-CG 3.2Å; S21-K25 PolarHBondContact O-N 3.32Å
22	E	31.9	Very low	31	Very low	97 Å²	97	82.9 Å²	82.9	45%	0.453	48%	0.484	S	S	.	.	H	α-helix	trans	-76.5	-34.8	176.8	-73.6	-60.1	132.7	0	0	111.9	C18 V19 F20 K25 V26	C18-E22 WeakPolarHBondContact O-CB 3.38Å; C18-E22 WeakPolarHBondContact O-CG 3.45Å; C18-E22 PolarHBondContact O-N 3Å; V19-E22 PolarHBondContact O-N 3.24Å; F20-E22 VanDerWaalsContact C-N 3.3Å; F20-E22 PolarHBondContact O-N 2.98Å; E22-K25 PolarHBondContact O-N 3.41Å; E22-K25 WeakPolarHBondContact OE1-CD 3.39Å; E22-K25 IonicContact OE1-NZ 3.99Å; E22-K25 PolarHBondContact OE1-NZ 2.92Å; E22-V26 VanDerWaalsContact O-CB 3.28Å; E22-V26 WeakPolarHBondContact O-CB 3.33Å; E22-V26 WeakPolarHBondContact O-CG2 3.39Å; E22-V26 PolarHBondContact O-N 2.75Å
23	L	30.7	Very low	31.6	Very low	98 Å²	98	82.8 Å²	82.8	51%	0.513	48%	0.484	S	S	.	.	H	α-helix	trans	-71.3	-34.9	173	-79.6	167.6	0	0	0	112	V19 F20 V26 G27	V19-L23 HydrophobicContact CG1-CD1 3.7Å; V19-L23 HydrophobicContact CG1-CG 4.23Å; V19-L23 WeakPolarHBondContact O-CB 3.13Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.18Å; V19-L23 PolarHBondContact O-N 3.19Å; F20-L23 PolarHBondContact O-N 3.44Å; L23-V26 PolarHBondContact O-N 2.92Å; L23-G27 PolarHBondContact O-N 3.17Å
24	I	32.7	Very low	31.7	Very low	81 Å²	81	87.7 Å²	87.7	42%	0.415	49%	0.486	S	S	.	.	H	α-helix	trans	-66.3	-46.4	170.8	-70.3	165.6	0	0	0	109	F20 V26 G27 E28	F20-I24 HydrophobicContact CD1-CD1 4.42Å; F20-I24 VanDerWaalsContact O-CB 3.24Å; F20-I24 WeakPolarHBondContact O-CB 3.26Å; F20-I24 WeakPolarHBondContact O-CD1 3.4Å; F20-I24 WeakPolarHBondContact O-CG1 3.41Å; F20-I24 PolarHBondContact O-N 3.37Å; I24-V26 VanDerWaalsContact C-N 3.32Å; I24-V26 PolarHBondContact O-N 2.81Å; I24-G27 CarbonylContact O-C 3.54Å; I24-G27 PolarHBondContact O-N 2.73Å; I24-E28 HydrophobicContact CG2-CG 4.22Å; I24-E28 VanDerWaalsContact O-CB 3.28Å; I24-E28 WeakPolarHBondContact O-CB 3.44Å; I24-E28 VanDerWaalsContact O-CG 3.29Å; I24-E28 WeakPolarHBondContact O-CG 3.37Å; I24-E28 PolarHBondContact O-N 3.24Å
25	K	33	Very low	31.9	Very low	78 Å²	78	85.8 Å²	85.8	34%	0.339	47%	0.472	S	S	.	.	H	α-helix	trans	-63	-35.3	174.8	-74.8	171.8	-163.5	171.1	0	113.2	S21 E22 C29	S21-K25 VanDerWaalsContact O-CB 3.29Å; S21-K25 WeakPolarHBondContact O-CB 3.28Å; S21-K25 WeakPolarHBondContact O-CD 3.4Å; S21-K25 WeakPolarHBondContact O-CG 3.2Å; S21-K25 PolarHBondContact O-N 3.32Å; E22-K25 PolarHBondContact O-N 3.41Å; E22-K25 WeakPolarHBondContact OE1-CD 3.39Å; E22-K25 IonicContact OE1-NZ 3.99Å; E22-K25 PolarHBondContact OE1-NZ 2.92Å; K25-C29 VanDerWaalsContact O-CB 3.24Å; K25-C29 WeakPolarHBondContact O-CB 3.45Å; K25-C29 PolarHBondContact O-N 3.37Å; K25-C29 PolarHBondContact O-SG 3.02Å; K25-C29 VanDerWaalsContact O-SG 3.38Å
26	V	31.2	Very low	32.2	Very low	73 Å²	73	86.8 Å²	86.8	44%	0.442	48%	0.476	S	S	.	.	H	α-helix	trans	-71.6	-41.8	175.1	168.6	0	0	0	0	110	E22 L23 I24 C29 I30	E22-V26 VanDerWaalsContact O-CB 3.28Å; E22-V26 WeakPolarHBondContact O-CB 3.33Å; E22-V26 WeakPolarHBondContact O-CG2 3.39Å; E22-V26 PolarHBondContact O-N 2.75Å; L23-V26 PolarHBondContact O-N 2.92Å; I24-V26 VanDerWaalsContact C-N 3.32Å; I24-V26 PolarHBondContact O-N 2.81Å; V26-C29 PolarHBondContact O-N 3.47Å; V26-I30 HydrophobicContact CG1-CD1 3.77Å; V26-I30 HydrophobicContact CG1-CG1 4.45Å; V26-I30 WeakPolarHBondContact O-CB 3.34Å; V26-I30 WeakPolarHBondContact O-CD1 3.22Å; V26-I30 WeakPolarHBondContact O-CG1 3.49Å; V26-I30 PolarHBondContact O-N 3.39Å
27	G	30.2	Very low	32.9	Very low	29 Å²	29	92 Å²	92	30%	0.299	49%	0.494	S	S	.	.	H	α-helix	trans	-62.1	-42.3	173.3	0	0	0	0	0	112.3	L23 I24 I30 L31	L23-G27 PolarHBondContact O-N 3.17Å; I24-G27 CarbonylContact O-C 3.54Å; I24-G27 PolarHBondContact O-N 2.73Å; G27-I30 PolarHBondContact O-N 3.12Å; G27-L31 WeakPolarHBondContact O-CB 3.26Å; G27-L31 VanDerWaalsContact O-CG 3.24Å; G27-L31 WeakPolarHBondContact O-CG 3.3Å; G27-L31 PolarHBondContact O-N 2.91Å
28	E	33.7	Very low	33.4	Very low	105 Å²	105	93.4 Å²	93.4	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-67.1	-42.5	174.3	-76.1	176.6	173.2	0	0	111.1	I24 I30 L31 D32	I24-E28 HydrophobicContact CG2-CG 4.22Å; I24-E28 VanDerWaalsContact O-CB 3.28Å; I24-E28 WeakPolarHBondContact O-CB 3.44Å; I24-E28 VanDerWaalsContact O-CG 3.29Å; I24-E28 WeakPolarHBondContact O-CG 3.37Å; I24-E28 PolarHBondContact O-N 3.24Å; E28-I30 VanDerWaalsContact C-N 3.32Å; E28-I30 PolarHBondContact O-N 3.46Å; E28-L31 PolarHBondContact O-N 3.07Å; E28-D32 WeakPolarHBondContact O-CB 2.94Å; E28-D32 PolarHBondContact O-N 2.78Å
29	C	35.7	Very low	33.6	Very low	85 Å²	85	93.6 Å²	93.6	57%	0.574	49%	0.493	S	S	*	.	H	α-helix	trans	-65	-33.7	173.3	-82.8	0	0	0	0	112.7	K25 V26 S33	K25-C29 VanDerWaalsContact O-CB 3.24Å; K25-C29 WeakPolarHBondContact O-CB 3.45Å; K25-C29 PolarHBondContact O-N 3.37Å; K25-C29 PolarHBondContact O-SG 3.02Å; K25-C29 VanDerWaalsContact O-SG 3.38Å; V26-C29 PolarHBondContact O-N 3.47Å; C29-S33 VanDerWaalsContact O-CB 3.3Å; C29-S33 WeakPolarHBondContact O-CB 3.28Å; C29-S33 PolarHBondContact O-N 3.34Å; C29-S33 VanDerWaalsContact O-N 3.15Å; C29-S33 PolarHBondContact O-OG 2.86Å
30	I	29.5	Very low	34.1	Very low	86 Å²	86	92 Å²	92	44%	0.441	48%	0.479	S	S	.	.	H	α-helix	trans	-71.1	-42.4	174.3	-69.1	165.5	0	0	0	110.1	V26 G27 E28 S33 W34	V26-I30 HydrophobicContact CG1-CD1 3.77Å; V26-I30 HydrophobicContact CG1-CG1 4.45Å; V26-I30 WeakPolarHBondContact O-CB 3.34Å; V26-I30 WeakPolarHBondContact O-CD1 3.22Å; V26-I30 WeakPolarHBondContact O-CG1 3.49Å; V26-I30 PolarHBondContact O-N 3.39Å; G27-I30 PolarHBondContact O-N 3.12Å; E28-I30 VanDerWaalsContact C-N 3.32Å; E28-I30 PolarHBondContact O-N 3.46Å; I30-S33 PolarHBondContact O-N 3.3Å; I30-S33 PolarHBondContact O-OG 2.95Å; I30-W34 PolarHBondContact O-N 3.37Å; I30-W34 VanDerWaalsContact O-N 3.11Å
31	L	30	Very low	34.8	Very low	64 Å²	64	87.7 Å²	87.7	34%	0.335	47%	0.47	S	S	.	.	H	α-helix	trans	-66.8	-39.1	175.9	-74.4	168.5	0	0	0	112.3	G27 E28 S33 C35 K40 L43	G27-L31 WeakPolarHBondContact O-CB 3.26Å; G27-L31 VanDerWaalsContact O-CG 3.24Å; G27-L31 WeakPolarHBondContact O-CG 3.3Å; G27-L31 PolarHBondContact O-N 2.91Å; E28-L31 PolarHBondContact O-N 3.07Å; L31-S33 VanDerWaalsContact C-N 3.29Å; L31-S33 PolarHBondContact O-N 2.83Å; L31-C35 PolarHBondContact O-N 2.79Å; L31-K40 WeakPolarHBondContact O-CE 3.46Å; L31-L43 HydrophobicContact CD2-CD1 3.99Å
32	D	36.7	Very low	35	Very low	111 Å²	111	90.1 Å²	90.1	59%	0.594	48%	0.479	S	S	*	.	H	α-helix	trans	-70.4	-27.8	179.6	-88.9	-14.9	0	0	0	112.8	E28 K40	E28-D32 WeakPolarHBondContact O-CB 2.94Å; E28-D32 PolarHBondContact O-N 2.78Å; D32-K40 WeakPolarHBondContact OD1-CE 3.14Å; D32-K40 IonicContact OD1-NZ 3.69Å; D32-K40 PolarHBondContact OD1-NZ 3.38Å
33	S	40.8	Very low	35.2	Very low	78 Å²	78	87.9 Å²	87.9	55%	0.545	47%	0.469	S	S	.	.	H	α-helix	trans	-91	-33.3	-178.4	60.8	0	0	0	0	112.4	C29 I30 L31	C29-S33 VanDerWaalsContact O-CB 3.3Å; C29-S33 WeakPolarHBondContact O-CB 3.28Å; C29-S33 PolarHBondContact O-N 3.34Å; C29-S33 VanDerWaalsContact O-N 3.15Å; C29-S33 PolarHBondContact O-OG 2.86Å; I30-S33 PolarHBondContact O-N 3.3Å; I30-S33 PolarHBondContact O-OG 2.95Å; L31-S33 VanDerWaalsContact C-N 3.29Å; L31-S33 PolarHBondContact O-N 2.83Å
34	W	32.1	Very low	35.7	Very low	222 Å²	222	87.9 Å²	87.9	84%	0.841	47%	0.469	S	S	*	.	H	α-helix	trans	-131.2	10.9	-161.8	-76.5	46.9	0	0	0	116.1	I30	I30-W34 PolarHBondContact O-N 3.37Å; I30-W34 VanDerWaalsContact O-N 3.11Å
35	C	32.9	Very low	36.1	Very low	43 Å²	43	89.6 Å²	89.6	29%	0.291	48%	0.479	S	S	.	.			trans	-112.6	131	171	-78.5	0	0	0	0	112.1	L31 I39 K40	L31-C35 PolarHBondContact O-N 2.79Å; C35-I39 HydrophobicContact CB-CB 4.42Å; C35-I39 HydrophobicContact CB-CG2 4.36Å; C35-K40 HydrophobicContact CB-CG 4.49Å
36	T	38.3	Very low	36.2	Very low	93 Å²	93	87 Å²	87	57%	0.571	47%	0.469	S	S	*	.			trans	-62	147.1	171.6	49.6	0	0	0	0	110.3	D38 I39 K40	T36-D38 PolarHBondContact O-N 2.87Å; T36-I39 PolarHBondContact O-N 2.83Å; T36-K40 PolarHBondContact O-N 3.36Å
37	E	41.3	Very low	36.5	Very low	145 Å²	145	89.3 Å²	89.3	68%	0.678	48%	0.476	S	S	*	.	H	α-helix	trans	-47.5	-37.4	-176.7	-83.2	-80	142.9	0	0	113	I39 K40 A41	E37-I39 PolarHBondContact O-N 3.34Å; E37-K40 WeakPolarHBondContact O-CB 3.36Å; E37-K40 PolarHBondContact O-N 3.23Å; E37-A41 PolarHBondContact O-N 3.42Å
38	D	39.6	Very low	36.9	Very low	129 Å²	129	93.3 Å²	93.3	69%	0.69	49%	0.491	S	S	*	.	H	α-helix	trans	-63.4	-39.7	179	-57	-35.5	0	0	0	112.8	T36 A41 L42	T36-D38 PolarHBondContact O-N 2.87Å; D38-A41 PolarHBondContact O-N 3.3Å; D38-L42 WeakPolarHBondContact O-CB 3.34Å; D38-L42 PolarHBondContact O-N 2.95Å
39	I	37.5	Very low	37.3	Very low	82 Å²	82	91.6 Å²	91.6	42%	0.421	49%	0.485	S	S	.	.	H	α-helix	trans	-71.5	-37.4	178.2	-63	177.1	0	0	0	110	C35 T36 E37 L42 L43	C35-I39 HydrophobicContact CB-CB 4.42Å; C35-I39 HydrophobicContact CB-CG2 4.36Å; T36-I39 PolarHBondContact O-N 2.83Å; E37-I39 PolarHBondContact O-N 3.34Å; I39-L42 PolarHBondContact O-N 3.44Å; I39-L43 HydrophobicContact CG2-CD1 3.86Å; I39-L43 HydrophobicContact CG2-CG 4.49Å; I39-L43 WeakPolarHBondContact O-CB 3.16Å; I39-L43 WeakPolarHBondContact O-CG 3.41Å; I39-L43 PolarHBondContact O-N 2.98Å
40	K	38.4	Very low	37.7	Very low	47 Å²	47	91.9 Å²	91.9	20%	0.204	49%	0.486	C	S	.	.	H	α-helix	trans	-60.6	-48.9	173	-90.4	-179.1	169.1	-176.3	0	111.3	L31 D32 C35 T36 E37 L42 L43 I44	L31-K40 WeakPolarHBondContact O-CE 3.46Å; D32-K40 WeakPolarHBondContact OD1-CE 3.14Å; D32-K40 IonicContact OD1-NZ 3.69Å; D32-K40 PolarHBondContact OD1-NZ 3.38Å; C35-K40 HydrophobicContact CB-CG 4.49Å; T36-K40 PolarHBondContact O-N 3.36Å; E37-K40 WeakPolarHBondContact O-CB 3.36Å; E37-K40 PolarHBondContact O-N 3.23Å; K40-L42 VanDerWaalsContact C-N 3.28Å; K40-L42 PolarHBondContact O-N 3.48Å; K40-L43 PolarHBondContact O-N 3.24Å; K40-I44 WeakPolarHBondContact O-CB 3.44Å; K40-I44 WeakPolarHBondContact O-CD1 3.35Å; K40-I44 WeakPolarHBondContact O-CG1 3.32Å; K40-I44 PolarHBondContact O-N 3.4Å
41	A	42.3	Very low	38.2	Very low	49 Å²	49	94 Å²	94	41%	0.405	49%	0.489	S	S	.	.	H	α-helix	trans	-60.5	-40.1	178.1	0	0	0	0	0	111.7	E37 D38 I44 N45	E37-A41 PolarHBondContact O-N 3.42Å; D38-A41 PolarHBondContact O-N 3.3Å; A41-I44 PolarHBondContact O-N 3.05Å; A41-N45 WeakPolarHBondContact O-CB 3.44Å; A41-N45 PolarHBondContact O-N 3.37Å; A41-N45 PolarHBondContact O-ND2 3.49Å
42	L	37.4	Very low	38.7	Very low	98 Å²	98	92.6 Å²	92.6	51%	0.513	48%	0.482	S	S	.	.	H	α-helix	trans	-70.6	-36.7	179.5	-151.1	140.2	0	0	0	112.4	D38 I39 K40 L46	D38-L42 WeakPolarHBondContact O-CB 3.34Å; D38-L42 PolarHBondContact O-N 2.95Å; I39-L42 PolarHBondContact O-N 3.44Å; K40-L42 VanDerWaalsContact C-N 3.28Å; K40-L42 PolarHBondContact O-N 3.48Å; L42-L46 HydrophobicContact CD2-CD1 4.05Å; L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 PolarHBondContact O-N 2.99Å
43	L	36.2	Very low	39.2	Very low	49 Å²	49	90.2 Å²	90.2	26%	0.257	47%	0.469	S	S	.	.	H	α-helix	trans	-69.4	-40.5	173.5	-82.5	163.6	0	0	0	112.5	L31 I39 K40 L46 M47 L120	L31-L43 HydrophobicContact CD2-CD1 3.99Å; I39-L43 HydrophobicContact CG2-CD1 3.86Å; I39-L43 HydrophobicContact CG2-CG 4.49Å; I39-L43 WeakPolarHBondContact O-CB 3.16Å; I39-L43 WeakPolarHBondContact O-CG 3.41Å; I39-L43 PolarHBondContact O-N 2.98Å; K40-L43 PolarHBondContact O-N 3.24Å; L43-L46 WeakPolarHBondContact O-CB 3.37Å; L43-L46 PolarHBondContact O-N 3.42Å; L43-M47 WeakPolarHBondContact O-CG 3.38Å; L43-M47 PolarHBondContact O-N 2.79Å; L43-L120 HydrophobicContact CD2-CD2 4.3Å
44	I	40.8	Very low	39.3	Very low	98 Å²	98	91.2 Å²	91.2	50%	0.503	47%	0.465	S	S	.	.	H	α-helix	trans	-63.9	-48.9	176.1	-69.5	165.4	0	0	0	109.9	K40 A41 L46 M47 D48	K40-I44 WeakPolarHBondContact O-CB 3.44Å; K40-I44 WeakPolarHBondContact O-CD1 3.35Å; K40-I44 WeakPolarHBondContact O-CG1 3.32Å; K40-I44 PolarHBondContact O-N 3.4Å; A41-I44 PolarHBondContact O-N 3.05Å; I44-L46 PolarHBondContact O-N 2.99Å; I44-M47 PolarHBondContact O-N 2.96Å; I44-D48 PolarHBondContact O-N 3.05Å; I44-D48 VanDerWaalsContact O-N 3.07Å
45	N	41.1	Very low	39.8	Very low	118 Å²	118	80.8 Å²	80.8	63%	0.631	43%	0.426	S	S	*	.	H	α-helix	trans	-60.7	-29.8	175.1	-77.8	-26.8	0	0	0	112.7	A41	A41-N45 WeakPolarHBondContact O-CB 3.44Å; A41-N45 PolarHBondContact O-N 3.37Å; A41-N45 PolarHBondContact O-ND2 3.49Å
46	L	34.3	Very low	40.3	Very low	22 Å²	22	86 Å²	86	12%	0.115	44%	0.439	C	S	.	.	H	α-helix	trans	-70	-41.1	172.8	-99.3	163.5	0	0	0	112.6	L42 L43 I44 D48 N49 L52 Y117 L120	L42-L46 HydrophobicContact CD2-CD1 4.05Å; L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 PolarHBondContact O-N 2.99Å; L43-L46 WeakPolarHBondContact O-CB 3.37Å; L43-L46 PolarHBondContact O-N 3.42Å; I44-L46 PolarHBondContact O-N 2.99Å; L46-D48 VanDerWaalsContact C-N 3.25Å; L46-D48 PolarHBondContact O-N 3.32Å; L46-N49 VanDerWaalsContact O-CB 3.26Å; L46-N49 WeakPolarHBondContact O-CB 3.35Å; L46-N49 PolarHBondContact O-N 3.47Å; L46-N49 VanDerWaalsContact O-N 3.14Å; L46-L52 HydrophobicContact CD2-CD1 3.49Å; L46-L52 VanDerWaalsContact CD2-CD1 3.49Å; L46-L52 WeakPolarHBondContact O-CD1 3.39Å; L46-Y117 HydrophobicContact CD1-CD1 3.79Å; L46-Y117 HydrophobicContact CD1-CE1 3.7Å; L46-Y117 HydrophobicContact CD2-CD1 3.3Å; L46-Y117 HydrophobicContact CD2-CE1 3.37Å; L46-Y117 HydrophobicContact CD2-CG 4.29Å; L46-Y117 HydrophobicContact CG-CD1 3.98Å; L46-Y117 HydrophobicContact CG-CE1 3.72Å; L46-L120 HydrophobicContact CD1-CD1 4.33Å
47	M	37.2	Very low	40.6	Very low	123 Å²	123	85.8 Å²	85.8	61%	0.606	44%	0.435	S	S	*	.	H	α-helix	trans	-67.8	-26.4	178.1	-74.5	-169.4	57	0	0	113	L43 I44 N49 N53	L43-M47 WeakPolarHBondContact O-CG 3.38Å; L43-M47 PolarHBondContact O-N 2.79Å; I44-M47 PolarHBondContact O-N 2.96Å; M47-N49 PolarHBondContact O-N 3.07Å; M47-N53 PolarHBondContact O-ND2 3.42Å
48	D	39.7	Very low	40.6	Very low	112 Å²	112	79.5 Å²	79.5	60%	0.599	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-5	174.2	-70.7	-22.9	0	0	0	113.1	I44 L46 P50	I44-D48 PolarHBondContact O-N 3.05Å; I44-D48 VanDerWaalsContact O-N 3.07Å; L46-D48 VanDerWaalsContact C-N 3.25Å; L46-D48 PolarHBondContact O-N 3.32Å; D48-P50 WeakPolarHBondContact O-CD 3.23Å
49	N	41.1	Very low	40.7	Very low	69 Å²	69	75.8 Å²	75.8	37%	0.369	39%	0.385	S	S	.	.			trans	-72.7	113.1	178.8	-168.3	-39.3	0	0	0	110.8	L46 M47 Y51 L52 N53	L46-N49 VanDerWaalsContact O-CB 3.26Å; L46-N49 WeakPolarHBondContact O-CB 3.35Å; L46-N49 PolarHBondContact O-N 3.47Å; L46-N49 VanDerWaalsContact O-N 3.14Å; M47-N49 PolarHBondContact O-N 3.07Å; N49-Y51 PolarHBondContact O-N 3.09Å; N49-Y51 VanDerWaalsContact O-N 3.09Å; N49-Y51 WeakPolarHBondContact OD1-CB 3.34Å; N49-Y51 PolarHBondContact OD1-N 3.02Å; N49-Y51 VanDerWaalsContact OD1-N 3.07Å; N49-L52 HydrophobicContact CB-CB 4.49Å; N49-L52 HydrophobicContact CB-CD1 4.25Å; N49-L52 HydrophobicContact CB-CG 4.4Å; N49-L52 PolarHBondContact O-N 3.36Å; N49-N53 PolarHBondContact O-N 3.01Å
50	P	43.8	Very low	40.9	Very low	92 Å²	92	74.5 Å²	74.5	60%	0.597	38%	0.383	S	S	*	.	H	α-helix	trans	-61.6	-25.4	-174.4	23.7	-33.1	0	0	0	113.2	D48 N53 Q54	D48-P50 WeakPolarHBondContact O-CD 3.23Å; P50-N53 PolarHBondContact O-N 3.46Å; P50-Q54 PolarHBondContact O-N 2.87Å
51	Y	40.1	Very low	41.1	Very low	130 Å²	130	77.3 Å²	77.3	51%	0.51	40%	0.395	S	S	.	.	H	α-helix	trans	-68.5	-37.9	176.6	-126.1	-104.7	0	0	0	112	N49 Q54 L55 Y109	N49-Y51 PolarHBondContact O-N 3.09Å; N49-Y51 VanDerWaalsContact O-N 3.09Å; N49-Y51 WeakPolarHBondContact OD1-CB 3.34Å; N49-Y51 PolarHBondContact OD1-N 3.02Å; N49-Y51 VanDerWaalsContact OD1-N 3.07Å; Y51-Q54 PolarHBondContact O-N 3.41Å; Y51-L55 PolarHBondContact O-N 3.14Å; Y51-Y109 AromaticContact CD1-CD1 3.63Å; Y51-Y109 HydrophobicContact CD1-CD1 3.63Å; Y51-Y109 AromaticContact CD1-CE1 3.81Å; Y51-Y109 HydrophobicContact CD1-CE1 3.81Å; Y51-Y109 AromaticContact CE1-CD1 3.31Å; Y51-Y109 HydrophobicContact CE1-CD1 3.31Å; Y51-Y109 AromaticContact CE1-CE1 3.35Å; Y51-Y109 HydrophobicContact CE1-CE1 3.35Å; Y51-Y109 AromaticContact CZ-CE1 3.79Å
52	L	42.1	Very low	40.9	Very low	34 Å²	34	76.1 Å²	76.1	18%	0.178	38%	0.382	C	S	.	.	H	α-helix	trans	-74.3	-31.3	177.2	-70.8	176.5	0	0	0	111.9	L46 N49 L55 R56 L113	L46-L52 HydrophobicContact CD2-CD1 3.49Å; L46-L52 VanDerWaalsContact CD2-CD1 3.49Å; L46-L52 WeakPolarHBondContact O-CD1 3.39Å; N49-L52 HydrophobicContact CB-CB 4.49Å; N49-L52 HydrophobicContact CB-CD1 4.25Å; N49-L52 HydrophobicContact CB-CG 4.4Å; N49-L52 PolarHBondContact O-N 3.36Å; L52-L55 HydrophobicContact CD2-CD2 4.24Å; L52-L55 PolarHBondContact O-N 3.23Å; L52-R56 WeakPolarHBondContact O-CB 3.45Å; L52-R56 PolarHBondContact O-N 3.04Å; L52-L113 HydrophobicContact CD2-CD1 3.92Å; L52-L113 HydrophobicContact CD2-CD2 4.14Å
53	N	45.6	Very low	40.9	Very low	61 Å²	61	74.4 Å²	74.4	33%	0.326	38%	0.376	S	S	.	.	H	α-helix	trans	-66.3	-41.8	171.8	-71.9	-37.3	0	0	0	111.6	M47 N49 P50 R56 D57	M47-N53 PolarHBondContact O-ND2 3.42Å; N49-N53 PolarHBondContact O-N 3.01Å; P50-N53 PolarHBondContact O-N 3.46Å; N53-R56 WeakPolarHBondContact O-CB 2.94Å; N53-R56 PolarHBondContact O-N 3.21Å; N53-D57 VanDerWaalsContact O-CG 3.31Å; N53-D57 PolarHBondContact O-N 2.96Å
54	Q	44.3	Very low	40.9	Very low	99 Å²	99	79.2 Å²	79.2	46%	0.463	40%	0.397	S	S	.	.	H	α-helix	trans	-62	-43.3	172	-77.8	-177.6	-6.8	0	0	112.6	P50 Y51 R56 D57 D58	P50-Q54 PolarHBondContact O-N 2.87Å; Y51-Q54 PolarHBondContact O-N 3.41Å; Q54-R56 VanDerWaalsContact C-N 3.34Å; Q54-R56 PolarHBondContact O-N 3.44Å; Q54-D57 PolarHBondContact O-N 3.43Å; Q54-D58 PolarHBondContact O-N 3.37Å
55	L	42.1	Very low	40.6	Very low	4 Å²	4	77.3 Å²	77.3	2%	0.021	39%	0.388	C	S	.	.	H	α-helix	trans	-59.7	-44.8	175.2	178.7	63.1	0	0	0	111.6	Y51 L52 D58 I59 V106 Y109 L110 L113	Y51-L55 PolarHBondContact O-N 3.14Å; L52-L55 HydrophobicContact CD2-CD2 4.24Å; L52-L55 PolarHBondContact O-N 3.23Å; L55-D58 PolarHBondContact O-N 2.83Å; L55-I59 HydrophobicContact CD1-CD1 4.03Å; L55-I59 HydrophobicContact CD1-CG1 4.39Å; L55-I59 HydrophobicContact CG-CD1 3.93Å; L55-I59 WeakPolarHBondContact O-CB 3.18Å; L55-I59 VanDerWaalsContact O-CG1 3.23Å; L55-I59 WeakPolarHBondContact O-CG1 3.47Å; L55-I59 PolarHBondContact O-N 3.28Å; L55-V106 HydrophobicContact CD1-CB 4.36Å; L55-V106 HydrophobicContact CD1-CG1 4Å; L55-V106 HydrophobicContact CD1-CG2 4.27Å; L55-Y109 HydrophobicContact CD1-CD2 4.17Å; L55-Y109 HydrophobicContact CD1-CG 4.26Å; L55-L110 HydrophobicContact CD2-CD2 4.07Å; L55-L113 HydrophobicContact CD2-CD1 4.34Å
56	R	44.1	Very low	40.1	Very low	152 Å²	152	74.5 Å²	74.5	57%	0.574	37%	0.372	S	S	*	.	H	α-helix	trans	-58.9	-47	175.6	177.8	-173.5	174	-169.1	-1.7	111.1	L52 N53 Q54 I59 C60	L52-R56 WeakPolarHBondContact O-CB 3.45Å; L52-R56 PolarHBondContact O-N 3.04Å; N53-R56 WeakPolarHBondContact O-CB 2.94Å; N53-R56 PolarHBondContact O-N 3.21Å; Q54-R56 VanDerWaalsContact C-N 3.34Å; Q54-R56 PolarHBondContact O-N 3.44Å; R56-I59 PolarHBondContact O-N 2.86Å; R56-C60 WeakPolarHBondContact O-CB 3.48Å; R56-C60 PolarHBondContact O-N 2.75Å; R56-C60 PolarHBondContact O-SG 3.24Å
57	D	43.8	Very low	40.2	Very low	88 Å²	88	81.3 Å²	81.3	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-65.2	-40.4	-178.6	-72	-17.4	0	0	0	112.2	N53 Q54 C60 K61	N53-D57 VanDerWaalsContact O-CG 3.31Å; N53-D57 PolarHBondContact O-N 2.96Å; Q54-D57 PolarHBondContact O-N 3.43Å; D57-C60 WeakPolarHBondContact O-CB 3.47Å; D57-C60 PolarHBondContact O-N 3.5Å; D57-K61 WeakPolarHBondContact O-CG 3.27Å; D57-K61 PolarHBondContact O-N 2.82Å
58	D	41.9	Very low	39.9	Very low	13 Å²	13	78 Å²	78	7%	0.07	39%	0.39	C	S	.	.	H	α-helix	trans	-70.6	-33.8	177.2	-76.8	-11.8	0	0	0	112.3	Q54 L55 K61 L62 V102 V106	Q54-D58 PolarHBondContact O-N 3.37Å; L55-D58 PolarHBondContact O-N 2.83Å; D58-K61 PolarHBondContact O-N 2.88Å; D58-K61 IonicContact OD1-NZ 2.86Å; D58-K61 PolarHBondContact OD1-NZ 3.5Å; D58-L62 PolarHBondContact O-N 3.43Å; D58-V102 HydrophobicContact CB-CG1 4.21Å; D58-V106 HydrophobicContact CB-CG2 4.28Å
59	I	41.3	Very low	39.9	Very low	51 Å²	51	79.5 Å²	79.5	26%	0.262	39%	0.391	S	S	.	.	H	α-helix	trans	-65.6	-44.2	169.3	-69.1	168.1	0	0	0	110.6	L55 R56 K61 L62 V63 V106 F121	L55-I59 HydrophobicContact CD1-CD1 4.03Å; L55-I59 HydrophobicContact CD1-CG1 4.39Å; L55-I59 HydrophobicContact CG-CD1 3.93Å; L55-I59 WeakPolarHBondContact O-CB 3.18Å; L55-I59 VanDerWaalsContact O-CG1 3.23Å; L55-I59 WeakPolarHBondContact O-CG1 3.47Å; L55-I59 PolarHBondContact O-N 3.28Å; R56-I59 PolarHBondContact O-N 2.86Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.28Å; I59-L62 WeakPolarHBondContact O-CB 3.36Å; I59-L62 PolarHBondContact O-N 3.03Å; I59-L62 VanDerWaalsContact O-N 3.13Å; I59-V63 HydrophobicContact CG2-CG2 4.3Å; I59-V63 VanDerWaalsContact O-CG2 3.31Å; I59-V63 WeakPolarHBondContact O-CG2 3.23Å; I59-V63 PolarHBondContact O-N 2.92Å; I59-V106 HydrophobicContact CG1-CG1 4.28Å; I59-V106 HydrophobicContact CG1-CG2 4.27Å; I59-F121 HydrophobicContact CD1-CZ 4.45Å
60	C	42.3	Very low	39.6	Very low	56 Å²	56	82.1 Å²	82.1	38%	0.378	41%	0.405	S	S	.	.	H	α-helix	trans	-59.5	-43.3	176.1	-74.4	0	0	0	0	111.3	R56 D57 L62 V63 E64	R56-C60 WeakPolarHBondContact O-CB 3.48Å; R56-C60 PolarHBondContact O-N 2.75Å; R56-C60 PolarHBondContact O-SG 3.24Å; D57-C60 WeakPolarHBondContact O-CB 3.47Å; D57-C60 PolarHBondContact O-N 3.5Å; C60-L62 VanDerWaalsContact C-N 3.34Å; C60-L62 PolarHBondContact O-N 3.37Å; C60-V63 PolarHBondContact O-N 3.42Å; C60-E64 WeakPolarHBondContact O-CB 3.46Å; C60-E64 WeakPolarHBondContact O-CG 3.41Å; C60-E64 PolarHBondContact O-N 3.48Å
61	K	41.8	Very low	38.9	Very low	105 Å²	105	81.5 Å²	81.5	46%	0.457	40%	0.396	S	S	.	.	H	α-helix	trans	-59.7	-42.9	172.8	-72.1	172.7	-161	152.7	0	111.8	D57 D58 I59 V63 E64 L65	D57-K61 WeakPolarHBondContact O-CG 3.27Å; D57-K61 PolarHBondContact O-N 2.82Å; D58-K61 PolarHBondContact O-N 2.88Å; D58-K61 IonicContact OD1-NZ 2.86Å; D58-K61 PolarHBondContact OD1-NZ 3.5Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.28Å; K61-V63 VanDerWaalsContact C-N 3.35Å; K61-V63 PolarHBondContact O-N 3.19Å; K61-E64 PolarHBondContact O-N 3.31Å; K61-L65 WeakPolarHBondContact O-CB 3.38Å; K61-L65 WeakPolarHBondContact O-CD1 3.44Å; K61-L65 WeakPolarHBondContact O-CG 3.4Å; K61-L65 PolarHBondContact O-N 2.95Å
62	L	37.1	Very low	38.3	Very low	24 Å²	24	78 Å²	78	13%	0.126	39%	0.386	C	S	.	.	H	α-helix	trans	-61	-41.5	175.4	-108.5	157.8	0	0	0	112.4	D58 I59 C60 N66 V102 V106	D58-L62 PolarHBondContact O-N 3.43Å; I59-L62 WeakPolarHBondContact O-CB 3.36Å; I59-L62 PolarHBondContact O-N 3.03Å; I59-L62 VanDerWaalsContact O-N 3.13Å; C60-L62 VanDerWaalsContact C-N 3.34Å; C60-L62 PolarHBondContact O-N 3.37Å; L62-N66 PolarHBondContact O-N 3.05Å; L62-N66 VanDerWaalsContact O-N 3.11Å; L62-V102 HydrophobicContact CD1-CG1 3.69Å; L62-V102 HydrophobicContact CG-CG1 3.96Å; L62-V106 HydrophobicContact CD1-CG2 4.09Å
63	V	38.5	Very low	38	Very low	63 Å²	63	84.5 Å²	84.5	38%	0.382	41%	0.409	S	S	.	.	H	α-helix	trans	-70.6	-39.5	178.2	172.7	0	0	0	0	111.7	I59 C60 K61 L72	I59-V63 HydrophobicContact CG2-CG2 4.3Å; I59-V63 VanDerWaalsContact O-CG2 3.31Å; I59-V63 WeakPolarHBondContact O-CG2 3.23Å; I59-V63 PolarHBondContact O-N 2.92Å; C60-V63 PolarHBondContact O-N 3.42Å; K61-V63 VanDerWaalsContact C-N 3.35Å; K61-V63 PolarHBondContact O-N 3.19Å; V63-L72 HydrophobicContact CG2-CD2 4.16Å
64	E	36.3	Very low	37.1	Very low	149 Å²	149	83.9 Å²	83.9	70%	0.696	41%	0.41	S	S	*	.	H	α-helix	trans	-67.4	-35.3	176	-77.6	-174.8	167.8	0	0	112.4	C60 K61	C60-E64 WeakPolarHBondContact O-CB 3.46Å; C60-E64 WeakPolarHBondContact O-CG 3.41Å; C60-E64 PolarHBondContact O-N 3.48Å; K61-E64 PolarHBondContact O-N 3.31Å
65	L	33.9	Very low	36.2	Very low	59 Å²	59	83.8 Å²	83.8	31%	0.309	41%	0.408	S	S	.	.	H	α-helix	trans	-75.1	-37.9	179.2	-71.5	168.5	0	0	0	112.7	K61 K67 L93 L94	K61-L65 WeakPolarHBondContact O-CB 3.38Å; K61-L65 WeakPolarHBondContact O-CD1 3.44Å; K61-L65 WeakPolarHBondContact O-CG 3.4Å; K61-L65 PolarHBondContact O-N 2.95Å; L65-K67 PolarHBondContact O-N 3.41Å; L65-L93 HydrophobicContact CD2-CD2 3.9Å; L65-L94 HydrophobicContact CD1-CD1 4.13Å; L65-L94 HydrophobicContact CD2-CD1 3.52Å; L65-L94 HydrophobicContact CG-CD1 4.48Å
66	N	31.3	Very low	35.6	Very low	59 Å²	59	90.6 Å²	90.6	32%	0.316	44%	0.441	S	S	.	.			trans	-89.8	74.6	175	-79.8	-38.2	0	0	0	110.9	L62 S68	L62-N66 PolarHBondContact O-N 3.05Å; L62-N66 VanDerWaalsContact O-N 3.11Å; N66-S68 CarbonylContact O-C 3.55Å; N66-S68 PolarHBondContact O-N 2.86Å
67	K	36.4	Very low	34.8	Very low	164 Å²	164	93.6 Å²	93.6	71%	0.713	45%	0.453	S	S	*	.			trans	-55.9	-4.9	179.7	-73.8	-170.8	176.2	-177.5	0	116.3	L65	L65-K67 PolarHBondContact O-N 3.41Å
68	S	30.9	Very low	33.8	Very low	54 Å²	54	94.4 Å²	94.4	38%	0.378	46%	0.456	S	S	.	.			trans	-97	89.2	166.7	50.7	0	0	0	0	109.3	N66 D70 I71	N66-S68 CarbonylContact O-C 3.55Å; N66-S68 PolarHBondContact O-N 2.86Å; S68-D70 PolarHBondContact O-N 3.48Å; S68-I71 PolarHBondContact O-N 3.22Å; S68-I71 WeakPolarHBondContact OG-CD1 2.98Å; S68-I71 WeakPolarHBondContact OG-CG1 3.49Å
69	K	38.9	Very low	33	Very low	144 Å²	144	101.7 Å²	101.7	63%	0.626	48%	0.484	S	S	*	.	H	α-helix	trans	-53.6	-22.1	-179.7	-73.5	-180	175.2	-179.9	0	113.8
70	D	34.9	Very low	32.4	Very low	123 Å²	123	104 Å²	104	66%	0.658	51%	0.505	S	S	*	.	H	α-helix	trans	-75.8	-25.7	177.5	-62.6	-30.3	0	0	0	113	S68 S74	S68-D70 PolarHBondContact O-N 3.48Å; D70-S74 WeakPolarHBondContact O-CB 3.42Å; D70-S74 PolarHBondContact O-N 3.37Å; D70-S74 PolarHBondContact O-OG 3.26Å
71	I	30.3	Very low	31.4	Very low	80 Å²	80	110.7 Å²	110.7	41%	0.41	52%	0.522	S	S	.	.	H	α-helix	trans	-77.7	-37.6	-174.1	-61	-174.8	0	0	0	112.1	S68 S74 K75	S68-I71 PolarHBondContact O-N 3.22Å; S68-I71 WeakPolarHBondContact OG-CD1 2.98Å; S68-I71 WeakPolarHBondContact OG-CG1 3.49Å; I71-S74 WeakPolarHBondContact CA-OG 3.45Å; I71-S74 PolarHBondContact O-OG 3.33Å; I71-K75 HydrophobicContact CG2-CD 3.88Å; I71-K75 HydrophobicContact CG2-CG 4.07Å; I71-K75 WeakPolarHBondContact O-CA 3.07Å; I71-K75 WeakPolarHBondContact O-CB 3.27Å; I71-K75 WeakPolarHBondContact O-CG 3.22Å; I71-K75 PolarHBondContact O-N 3.38Å
72	L	27.6	Very low	30.4	Very low	56 Å²	56	114.5 Å²	114.5	29%	0.293	54%	0.543	S	S	.	.	H	α-helix	trans	-72.5	-41	177.8	-157.8	82.9	0	0	0	111.4	V63 K75 M76	V63-L72 HydrophobicContact CG2-CD2 4.16Å; L72-K75 PolarHBondContact O-N 3.11Å; L72-M76 WeakPolarHBondContact O-CG 3.43Å; L72-M76 PolarHBondContact O-N 3.1Å
73	Y	34.8	Very low	29.6	Very low	170 Å²	170	119.8 Å²	119.8	67%	0.667	57%	0.572	S	S	*	*	H	α-helix	trans	-70.9	-36.9	177.6	-99.7	-82.6	0	0	0	112.5	R77	Y73-R77 PolarHBondContact O-N 3.2Å; Y73-R77 VanDerWaalsContact O-N 3.17Å
74	S	27.6	Very low	28.9	Very low	49 Å²	49	127.5 Å²	127.5	34%	0.343	59%	0.594	S	S	.	*	H	α-helix	trans	-71.6	-35.1	170.3	62.8	0	0	0	0	111.8	D70 I71 R77 L78	D70-S74 WeakPolarHBondContact O-CB 3.42Å; D70-S74 PolarHBondContact O-N 3.37Å; D70-S74 PolarHBondContact O-OG 3.26Å; I71-S74 WeakPolarHBondContact CA-OG 3.45Å; I71-S74 PolarHBondContact O-OG 3.33Å; S74-R77 CarbonylContact O-C 3.58Å; S74-R77 PolarHBondContact O-N 3.46Å; S74-R77 VanDerWaalsContact O-N 3.14Å; S74-L78 WeakPolarHBondContact O-CB 3.47Å; S74-L78 WeakPolarHBondContact O-CG 3.39Å; S74-L78 PolarHBondContact O-N 3.35Å
75	K	24.1	Very low	28.2	Very low	96 Å²	96	126.7 Å²	126.7	42%	0.417	60%	0.595	S	S	.	*	H	α-helix	trans	-62.2	-44.3	171.7	-84.4	-179.2	174.7	-168	0	111.6	I71 L72 R77 L78 Y79	I71-K75 HydrophobicContact CG2-CD 3.88Å; I71-K75 HydrophobicContact CG2-CG 4.07Å; I71-K75 WeakPolarHBondContact O-CA 3.07Å; I71-K75 WeakPolarHBondContact O-CB 3.27Å; I71-K75 WeakPolarHBondContact O-CG 3.22Å; I71-K75 PolarHBondContact O-N 3.38Å; L72-K75 PolarHBondContact O-N 3.11Å; K75-R77 PolarHBondContact O-N 3.13Å; K75-L78 PolarHBondContact O-N 2.96Å; K75-L78 VanDerWaalsContact O-N 3.12Å; K75-Y79 HydrophobicContact CB-CD2 4.28Å; K75-Y79 HydrophobicContact CB-CE2 3.82Å; K75-Y79 HydrophobicContact CG-CE2 4.44Å; K75-Y79 WeakPolarHBondContact O-CD2 3.49Å; K75-Y79 PolarHBondContact O-N 2.92Å
76	M	30.6	Very low	27.8	Very low	147 Å²	147	131.9 Å²	131.9	72%	0.724	62%	0.621	S	S	*	*	H	α-helix	trans	-64.2	-26.4	175	-74.7	-168.8	110.8	0	0	112.8	L72	L72-M76 WeakPolarHBondContact O-CG 3.43Å; L72-M76 PolarHBondContact O-N 3.1Å
77	R	27.4	Very low	27.6	Very low	216 Å²	216	134.9 Å²	134.9	82%	0.815	64%	0.644	S	S	*	*	H	α-helix	trans	-82.8	-30.8	170.7	-107.9	179.6	174.4	170.7	-0.6	114	Y73 S74 K75 S80	Y73-R77 PolarHBondContact O-N 3.2Å; Y73-R77 VanDerWaalsContact O-N 3.17Å; S74-R77 CarbonylContact O-C 3.58Å; S74-R77 PolarHBondContact O-N 3.46Å; S74-R77 VanDerWaalsContact O-N 3.14Å; K75-R77 PolarHBondContact O-N 3.13Å; R77-S80 PolarHBondContact O-OG 3.22Å
78	L	22.4	Very low	27.2	Very low	104 Å²	104	130.3 Å²	130.3	55%	0.545	64%	0.643	S	S	.	*	H	α-helix	trans	-91.7	-11.7	-174.7	-85.3	158.4	0	0	0	114	S74 K75 S80 R81	S74-L78 WeakPolarHBondContact O-CB 3.47Å; S74-L78 WeakPolarHBondContact O-CG 3.39Å; S74-L78 PolarHBondContact O-N 3.35Å; K75-L78 PolarHBondContact O-N 2.96Å; K75-L78 VanDerWaalsContact O-N 3.12Å; L78-S80 PolarHBondContact O-N 2.96Å; L78-R81 CarbonylContact O-C 3.57Å; L78-R81 PolarHBondContact O-N 3.35Å
79	Y	25	Very low	27	Very low	166 Å²	166	136.2 Å²	136.2	65%	0.651	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	2.1	170.3	-77.4	-57.6	0	0	0	114	K75	K75-Y79 HydrophobicContact CB-CD2 4.28Å; K75-Y79 HydrophobicContact CB-CE2 3.82Å; K75-Y79 HydrophobicContact CG-CE2 4.44Å; K75-Y79 WeakPolarHBondContact O-CD2 3.49Å; K75-Y79 PolarHBondContact O-N 2.92Å
80	S	27.5	Very low	26.4	Very low	99 Å²	99	138.4 Å²	138.4	69%	0.692	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-4.7	162.4	71.4	0	0	0	0	114.9	R77 L78	R77-S80 PolarHBondContact O-OG 3.22Å; L78-S80 PolarHBondContact O-N 2.96Å
81	R	21.2	Very low	26	Very low	198 Å²	198	143 Å²	143	75%	0.747	68%	0.683	S	S	*	*	S	Bend	trans	-142.9	87.3	-178.8	-73	-169.8	174.8	177.2	-1.7	112.7	L78	L78-R81 CarbonylContact O-C 3.57Å; L78-R81 PolarHBondContact O-N 3.35Å
82	M	21.6	Very low	25.8	Very low	184 Å²	184	149.1 Å²	149.1	91%	0.906	71%	0.706	S	S	*	*			trans	27	123	138	-65.7	-176.2	172.9	0	0	120.3
83	N	21	Very low	25.8	Very low	136 Å²	136	152 Å²	152	73%	0.727	72%	0.721	S	S	*	*			trans	49.6	142.3	144.1	-70.5	-2.4	0	0	0	123.8
84	W	22.9	Very low	25.6	Very low	224 Å²	224	148.3 Å²	148.3	85%	0.848	71%	0.713	S	S	*	*			trans	123.1	126.8	140.7	-63	96.3	0	0	0	115.7
85	D	22.1	Very low	26	Very low	132 Å²	132	148.2 Å²	148.2	71%	0.706	71%	0.712	S	S	*	*			trans	-57.9	161.3	-168.7	-58.5	-67.5	0	0	0	115.7
86	I	26.1	Very low	26.8	Very low	168 Å²	168	147.5 Å²	147.5	86%	0.862	72%	0.717	S	S	*	*				173.4	148.7	123.6	-84.6	155	0	0	0	111.2
87	P	27.2	Very low	27.4	Very low	123 Å²	123	147.9 Å²	147.9	80%	0.799	72%	0.717	S	S	*	*			trans	-114.2	178.2	-154.4	37.8	-22.3	0	0	0	115.4
88	G	26.9	Very low	28.2	Very low	67 Å²	67	141.8 Å²	141.8	69%	0.691	70%	0.698	S	S	*	*			trans	113.9	94	155.6	0	0	0	0	0	115.5
89	E	26.1	Very low	29.1	Very low	178 Å²	178	139 Å²	139	83%	0.832	68%	0.683	S	S	*	*				83.1	126.8	103.7	-83.4	-163.6	-171.9	0	0	114.2
90	K	27.7	Very low	30.1	Very low	191 Å²	191	135.6 Å²	135.6	83%	0.83	68%	0.676	S	S	*	*			cis	-137.7	131.5	25.2	-71.7	178.9	170.4	169	0	111.6
91	R	25.1	Very low	31.1	Very low	220 Å²	220	136 Å²	136	83%	0.83	67%	0.667	S	S	*	*			trans	-103.4	142.5	-179.6	-67.5	174.7	177.5	170.3	-1.3	110.8
92	K	26.7	Very low	32.1	Very low	207 Å²	207	128 Å²	128	90%	0.9	64%	0.64	S	S	*	*			trans	-142.2	86.1	155.8	-81.3	-168.7	177	-176.3	0	109.1
93	L	28.9	Very low	33.2	Very low	116 Å²	116	123 Å²	123	61%	0.607	62%	0.615	S	S	*	*	S	Bend	trans	-174.6	119.3	162.7	-110.2	138.8	0	0	0	107.8	L65	L65-L93 HydrophobicContact CD2-CD2 3.9Å
94	L	30.1	Very low	34.7	Very low	94 Å²	94	123.5 Å²	123.5	49%	0.492	61%	0.61	S	S	.	*	S	Bend	trans	43.8	142.9	178.6	-71.9	145.1	0	0	0	118.5	L65	L65-L94 HydrophobicContact CD1-CD1 4.13Å; L65-L94 HydrophobicContact CD2-CD1 3.52Å; L65-L94 HydrophobicContact CG-CD1 4.48Å
95	S	36.5	Very low	35.9	Very low	47 Å²	47	118.6 Å²	118.6	33%	0.329	59%	0.592	S	S	.	*			trans	-68.9	145	-172.4	65.4	0	0	0	0	111.2	Q97 Q98 I99	S95-Q97 PolarHBondContact O-N 3.45Å; S95-Q97 VanDerWaalsContact O-N 3.11Å; S95-Q98 VanDerWaalsContact N-OE1 3.12Å; S95-Q98 PolarHBondContact O-N 2.96Å; S95-Q98 WeakPolarHBondContact OG-CG 3.22Å; S95-Q98 PolarHBondContact OG-OE1 2.98Å; S95-I99 PolarHBondContact O-N 3.37Å
96	P	40.7	Very low	37	Very low	81 Å²	81	113.2 Å²	113.2	53%	0.526	56%	0.563	S	S	.	*	H	α-helix	trans	-51	-35.3	176.7	-27.6	34.4	0	0	0	113.5	Q98 I99 D100	P96-Q98 VanDerWaalsContact C-N 3.3Å; P96-Q98 PolarHBondContact O-N 3.27Å; P96-I99 PolarHBondContact O-N 2.88Å; P96-D100 PolarHBondContact O-N 2.72Å; P96-D100 VanDerWaalsContact O-N 3.1Å
97	Q	43.6	Very low	37.9	Very low	154 Å²	154	109.9 Å²	109.9	72%	0.72	55%	0.546	S	S	*	.	H	α-helix	trans	-59.4	-37.9	176.8	-69.1	178.3	-15.5	0	0	112.9	S95 E101	S95-Q97 PolarHBondContact O-N 3.45Å; S95-Q97 VanDerWaalsContact O-N 3.11Å; Q97-E101 PolarHBondContact O-N 3.12Å
98	Q	42.6	Very low	39	Very low	88 Å²	88	108.8 Å²	108.8	41%	0.411	53%	0.534	S	S	.	.	H	α-helix	trans	-73.4	-30.9	179.3	-71.6	166.7	-48.5	0	0	112.5	S95 P96 V102	S95-Q98 VanDerWaalsContact N-OE1 3.12Å; S95-Q98 PolarHBondContact O-N 2.96Å; S95-Q98 WeakPolarHBondContact OG-CG 3.22Å; S95-Q98 PolarHBondContact OG-OE1 2.98Å; P96-Q98 VanDerWaalsContact C-N 3.3Å; P96-Q98 PolarHBondContact O-N 3.27Å; Q98-V102 WeakPolarHBondContact O-CG2 3.43Å; Q98-V102 PolarHBondContact O-N 3.47Å; Q98-V102 VanDerWaalsContact O-N 3.13Å
99	I	41.4	Very low	39.9	Very low	46 Å²	46	107.4 Å²	107.4	24%	0.236	51%	0.508	C	S	.	.	H	α-helix	trans	-69.1	-45.6	175.3	-62.4	174.5	0	0	0	109.5	S95 P96 E101 V102 E103	S95-I99 PolarHBondContact O-N 3.37Å; P96-I99 PolarHBondContact O-N 2.88Å; I99-E101 VanDerWaalsContact C-N 3.28Å; I99-E101 PolarHBondContact O-N 3.26Å; I99-V102 PolarHBondContact O-N 3.17Å; I99-E103 WeakPolarHBondContact O-CB 3.42Å; I99-E103 PolarHBondContact O-N 2.82Å
100	D	45.9	Very low	40.8	Very low	95 Å²	95	101.8 Å²	101.8	51%	0.508	48%	0.483	S	S	.	.	H	α-helix	trans	-61	-36.6	176.1	-74	-7.1	0	0	0	111.9	P96 K104	P96-D100 PolarHBondContact O-N 2.72Å; P96-D100 VanDerWaalsContact O-N 3.1Å; D100-K104 WeakPolarHBondContact O-CB 3.4Å; D100-K104 WeakPolarHBondContact O-CG 3.43Å; D100-K104 PolarHBondContact O-N 2.9Å
101	E	49.3	Very low	41.7	Very low	108 Å²	108	96.4 Å²	96.4	51%	0.505	47%	0.47	S	S	.	.	H	α-helix	trans	-64.1	-46.4	174	-83.5	-164.9	165.2	0	0	112.9	Q97 I99 E103 K104 R105	Q97-E101 PolarHBondContact O-N 3.12Å; I99-E101 VanDerWaalsContact C-N 3.28Å; I99-E101 PolarHBondContact O-N 3.26Å; E101-E103 VanDerWaalsContact C-N 3.34Å; E101-K104 PolarHBondContact O-N 3.42Å; E101-R105 WeakPolarHBondContact O-CG 3.35Å; E101-R105 PolarHBondContact O-N 3.05Å; E101-R105 IonicContact OE2-NH2 2.65Å
102	V	42.4	Very low	42.7	Very low	29 Å²	29	90.5 Å²	90.5	18%	0.176	46%	0.461	C	S	.	.	H	α-helix	trans	-66	-40.3	179.3	177.2	0	0	0	0	110.3	D58 L62 Q98 I99 R105 V106	D58-V102 HydrophobicContact CB-CG1 4.21Å; L62-V102 HydrophobicContact CD1-CG1 3.69Å; L62-V102 HydrophobicContact CG-CG1 3.96Å; Q98-V102 WeakPolarHBondContact O-CG2 3.43Å; Q98-V102 PolarHBondContact O-N 3.47Å; Q98-V102 VanDerWaalsContact O-N 3.13Å; I99-V102 PolarHBondContact O-N 3.17Å; V102-R105 PolarHBondContact O-N 2.94Å; V102-V106 WeakPolarHBondContact O-CG2 3.42Å; V102-V106 PolarHBondContact O-N 3.14Å
103	E	45	Very low	43.5	Very low	80 Å²	80	82 Å²	82	37%	0.374	43%	0.425	S	S	.	.	H	α-helix	trans	-63.4	-45.1	176.7	-169.1	166.4	-171.2	0	0	111.7	I99 E101 R105 V106 I107	I99-E103 WeakPolarHBondContact O-CB 3.42Å; I99-E103 PolarHBondContact O-N 2.82Å; E101-E103 VanDerWaalsContact C-N 3.34Å; E103-R105 VanDerWaalsContact C-N 3.32Å; E103-R105 PolarHBondContact O-N 3.25Å; E103-V106 PolarHBondContact O-N 3.31Å; E103-I107 HydrophobicContact CG-CD1 4.17Å; E103-I107 WeakPolarHBondContact O-CG1 3.04Å; E103-I107 PolarHBondContact O-N 3.03Å
104	K	51.7	Low	44	Very low	146 Å²	146	80.1 Å²	80.1	64%	0.635	42%	0.42	S	S	*	.	H	α-helix	trans	-59.6	-40.1	172.7	-81.6	-179.7	180	176	0	112.5	D100 E101 I107 N108	D100-K104 WeakPolarHBondContact O-CB 3.4Å; D100-K104 WeakPolarHBondContact O-CG 3.43Å; D100-K104 PolarHBondContact O-N 2.9Å; E101-K104 PolarHBondContact O-N 3.42Å; K104-I107 PolarHBondContact O-N 2.87Å; K104-N108 WeakPolarHBondContact O-CB 3.35Å; K104-N108 PolarHBondContact O-N 3.47Å
105	R	47.5	Very low	44.4	Very low	121 Å²	121	81.1 Å²	81.1	46%	0.457	43%	0.425	S	S	.	.	H	α-helix	trans	-63.7	-47.8	176.8	-76.2	-178	-162.2	-179.5	6.9	111.5	E101 V102 E103 I107 N108 Y109	E101-R105 WeakPolarHBondContact O-CG 3.35Å; E101-R105 PolarHBondContact O-N 3.05Å; E101-R105 IonicContact OE2-NH2 2.65Å; V102-R105 PolarHBondContact O-N 2.94Å; E103-R105 VanDerWaalsContact C-N 3.32Å; E103-R105 PolarHBondContact O-N 3.25Å; R105-I107 VanDerWaalsContact C-N 3.33Å; R105-I107 PolarHBondContact O-N 3.27Å; R105-N108 PolarHBondContact O-N 3.31Å; R105-Y109 VanDerWaalsContact C-CD2 3.45Å; R105-Y109 HydrophobicContact CB-CD2 4.18Å; R105-Y109 HydrophobicContact CB-CE2 3.87Å; R105-Y109 WeakPolarHBondContact O-CB 3.17Å; R105-Y109 WeakPolarHBondContact O-CD2 3.37Å; R105-Y109 PolarHBondContact O-N 3.47Å
106	V	45	Very low	44.6	Very low	18 Å²	18	83.5 Å²	83.5	11%	0.109	44%	0.437	C	S	.	.	H	α-helix	trans	-59.8	-43.3	178.1	172	0	0	0	0	111.4	L55 D58 I59 L62 V102 E103 Y109 L110	L55-V106 HydrophobicContact CD1-CB 4.36Å; L55-V106 HydrophobicContact CD1-CG1 4Å; L55-V106 HydrophobicContact CD1-CG2 4.27Å; D58-V106 HydrophobicContact CB-CG2 4.28Å; I59-V106 HydrophobicContact CG1-CG1 4.28Å; I59-V106 HydrophobicContact CG1-CG2 4.27Å; L62-V106 HydrophobicContact CD1-CG2 4.09Å; V102-V106 WeakPolarHBondContact O-CG2 3.42Å; V102-V106 PolarHBondContact O-N 3.14Å; E103-V106 PolarHBondContact O-N 3.31Å; V106-Y109 PolarHBondContact O-N 3.27Å; V106-L110 HydrophobicContact CG1-CD1 4.12Å; V106-L110 WeakPolarHBondContact O-CG 3.41Å; V106-L110 PolarHBondContact O-N 3.46Å
107	I	46.7	Very low	44.5	Very low	99 Å²	99	84 Å²	84	51%	0.508	43%	0.429	S	S	.	.	H	α-helix	trans	-62.6	-45.7	175.8	-68	168.6	0	0	0	110.8	E103 K104 R105 L110 S111	E103-I107 HydrophobicContact CG-CD1 4.17Å; E103-I107 WeakPolarHBondContact O-CG1 3.04Å; E103-I107 PolarHBondContact O-N 3.03Å; K104-I107 PolarHBondContact O-N 2.87Å; R105-I107 VanDerWaalsContact C-N 3.33Å; R105-I107 PolarHBondContact O-N 3.27Å; I107-L110 PolarHBondContact O-N 3.31Å; I107-S111 WeakPolarHBondContact O-CB 3.11Å; I107-S111 PolarHBondContact O-N 3.5Å; I107-S111 PolarHBondContact O-OG 3.05Å
108	N	49.9	Very low	44.2	Very low	100 Å²	100	79.3 Å²	79.3	54%	0.535	41%	0.408	S	S	.	.	H	α-helix	trans	-61.2	-46.6	176.7	-79.2	-4.5	0	0	0	111.5	K104 R105 L110 S111 C112	K104-N108 WeakPolarHBondContact O-CB 3.35Å; K104-N108 PolarHBondContact O-N 3.47Å; R105-N108 PolarHBondContact O-N 3.31Å; N108-L110 VanDerWaalsContact C-N 3.34Å; N108-L110 PolarHBondContact O-N 2.91Å; N108-S111 WeakPolarHBondContact CA-OG 3.44Å; N108-S111 PolarHBondContact O-N 2.76Å; N108-S111 VanDerWaalsContact O-N 3.17Å; N108-S111 PolarHBondContact O-OG 2.88Å; N108-C112 PolarHBondContact O-N 2.77Å; N108-C112 PolarHBondContact O-SG 3.3Å
109	Y	45.2	Very low	43.9	Very low	38 Å²	38	80.7 Å²	80.7	15%	0.149	41%	0.412	C	S	.	.	H	α-helix	trans	-57.2	-45.4	177.4	-75.6	-55.6	0	0	0	112.1	Y51 L55 R105 V106 C112 L113	Y51-Y109 AromaticContact CD1-CD1 3.63Å; Y51-Y109 HydrophobicContact CD1-CD1 3.63Å; Y51-Y109 AromaticContact CD1-CE1 3.81Å; Y51-Y109 HydrophobicContact CD1-CE1 3.81Å; Y51-Y109 AromaticContact CE1-CD1 3.31Å; Y51-Y109 HydrophobicContact CE1-CD1 3.31Å; Y51-Y109 AromaticContact CE1-CE1 3.35Å; Y51-Y109 HydrophobicContact CE1-CE1 3.35Å; Y51-Y109 AromaticContact CZ-CE1 3.79Å; L55-Y109 HydrophobicContact CD1-CD2 4.17Å; L55-Y109 HydrophobicContact CD1-CG 4.26Å; R105-Y109 VanDerWaalsContact C-CD2 3.45Å; R105-Y109 HydrophobicContact CB-CD2 4.18Å; R105-Y109 HydrophobicContact CB-CE2 3.87Å; R105-Y109 WeakPolarHBondContact O-CB 3.17Å; R105-Y109 WeakPolarHBondContact O-CD2 3.37Å; R105-Y109 PolarHBondContact O-N 3.47Å; V106-Y109 PolarHBondContact O-N 3.27Å; Y109-C112 PolarHBondContact O-N 3Å; Y109-L113 WeakPolarHBondContact O-CG 3.31Å
110	L	44.2	Very low	43.9	Very low	60 Å²	60	81 Å²	81	31%	0.314	41%	0.414	S	S	.	.	H	α-helix	trans	-65.9	-41.7	177	-72.5	171	0	0	0	111.5	L55 V106 I107 N108 C112 L113 Q118	L55-L110 HydrophobicContact CD2-CD2 4.07Å; V106-L110 HydrophobicContact CG1-CD1 4.12Å; V106-L110 WeakPolarHBondContact O-CG 3.41Å; V106-L110 PolarHBondContact O-N 3.46Å; I107-L110 PolarHBondContact O-N 3.31Å; N108-L110 VanDerWaalsContact C-N 3.34Å; N108-L110 PolarHBondContact O-N 2.91Å; L110-C112 VanDerWaalsContact C-N 3.29Å; L110-C112 PolarHBondContact O-N 2.94Å; L110-L113 HydrophobicContact CD2-CD1 4.42Å; L110-L113 PolarHBondContact O-N 3.02Å; L110-Q118 PolarHBondContact O-NE2 3.07Å
111	S	46.9	Very low	43.8	Very low	78 Å²	78	80.5 Å²	80.5	55%	0.545	41%	0.408	S	S	.	.	H	α-helix	trans	-64.9	-30	179.8	73.9	0	0	0	0	113.7	I107 N108	I107-S111 WeakPolarHBondContact O-CB 3.11Å; I107-S111 PolarHBondContact O-N 3.5Å; I107-S111 PolarHBondContact O-OG 3.05Å; N108-S111 WeakPolarHBondContact CA-OG 3.44Å; N108-S111 PolarHBondContact O-N 2.76Å; N108-S111 VanDerWaalsContact O-N 3.17Å; N108-S111 PolarHBondContact O-OG 2.88Å
112	C	47.3	Very low	43.2	Very low	95 Å²	95	79.9 Å²	79.9	64%	0.642	41%	0.407	S	S	*	.	H	α-helix	trans	-79.5	-15.1	178.5	-66.5	0	0	0	0	113.7	N108 Y109 L110	N108-C112 PolarHBondContact O-N 2.77Å; N108-C112 PolarHBondContact O-SG 3.3Å; Y109-C112 PolarHBondContact O-N 3Å; L110-C112 VanDerWaalsContact C-N 3.29Å; L110-C112 PolarHBondContact O-N 2.94Å
113	L	43.5	Very low	42.8	Very low	28 Å²	28	83.4 Å²	83.4	15%	0.147	42%	0.424	C	S	.	.	S	Bend	trans	-77.4	131.2	-178.4	-76.3	165.5	0	0	0	111.1	L52 L55 Y109 L110 L115 Q118	L52-L113 HydrophobicContact CD2-CD1 3.92Å; L52-L113 HydrophobicContact CD2-CD2 4.14Å; L55-L113 HydrophobicContact CD2-CD1 4.34Å; Y109-L113 WeakPolarHBondContact O-CG 3.31Å; L110-L113 HydrophobicContact CD2-CD1 4.42Å; L110-L113 PolarHBondContact O-N 3.02Å; L113-L115 PolarHBondContact O-N 2.71Å; L113-Q118 HydrophobicContact CB-CG 3.92Å; L113-Q118 PolarHBondContact O-NE2 3.29Å; L113-Q118 VanDerWaalsContact O-NE2 3.12Å
114	P	39.5	Very low	42.7	Very low	77 Å²	77	87.4 Å²	87.4	50%	0.5	44%	0.437	S	S	.	.			trans	-52.7	139.6	169.9	-24.3	30.5	0	0	0	111.2	V116 Y117 Q118	P114-V116 PolarHBondContact O-N 2.86Å; P114-Y117 HydrophobicContact CB-CD2 3.93Å; P114-Y117 HydrophobicContact CB-CE2 4.43Å; P114-Y117 HydrophobicContact CG-CD2 3.9Å; P114-Y117 HydrophobicContact CG-CE2 4.22Å; P114-Y117 PolarHBondContact O-N 2.88Å; P114-Q118 PolarHBondContact O-N 2.88Å
115	L	38.7	Very low	41.9	Very low	115 Å²	115	83.6 Å²	83.6	60%	0.602	43%	0.426	S	S	*	.	H	α-helix	trans	-48.5	-30.1	-174.7	-104.3	143.1	0	0	0	114.4	L113 K119	L113-L115 PolarHBondContact O-N 2.71Å; L115-K119 WeakPolarHBondContact O-CB 3.49Å; L115-K119 WeakPolarHBondContact O-CG 3.09Å; L115-K119 PolarHBondContact O-N 3.48Å
116	V	39.9	Very low	41.1	Very low	97 Å²	97	82.8 Å²	82.8	59%	0.588	43%	0.43	S	S	*	.	H	α-helix	trans	-63.6	-43.9	176.2	178.9	0	0	0	0	111.5	P114 K119 L120	P114-V116 PolarHBondContact O-N 2.86Å; V116-K119 PolarHBondContact O-N 3.15Å; V116-L120 HydrophobicContact CG1-CD1 4.15Å; V116-L120 PolarHBondContact O-N 3.23Å
117	Y	38.5	Very low	40.7	Very low	91 Å²	91	85.8 Å²	85.8	36%	0.357	45%	0.448	S	S	.	.	H	α-helix	trans	-75	-36	-179.7	-64	-63.2	0	0	0	112.6	L46 P114 K119 L120 F121	L46-Y117 HydrophobicContact CD1-CD1 3.79Å; L46-Y117 HydrophobicContact CD1-CE1 3.7Å; L46-Y117 HydrophobicContact CD2-CD1 3.3Å; L46-Y117 HydrophobicContact CD2-CE1 3.37Å; L46-Y117 HydrophobicContact CD2-CG 4.29Å; L46-Y117 HydrophobicContact CG-CD1 3.98Å; L46-Y117 HydrophobicContact CG-CE1 3.72Å; P114-Y117 HydrophobicContact CB-CD2 3.93Å; P114-Y117 HydrophobicContact CB-CE2 4.43Å; P114-Y117 HydrophobicContact CG-CD2 3.9Å; P114-Y117 HydrophobicContact CG-CE2 4.22Å; P114-Y117 PolarHBondContact O-N 2.88Å; Y117-K119 VanDerWaalsContact C-N 3.29Å; Y117-K119 PolarHBondContact O-N 2.9Å; Y117-L120 PolarHBondContact O-N 3.36Å; Y117-F121 WeakPolarHBondContact O-CB 3.39Å; Y117-F121 PolarHBondContact O-N 2.81Å
118	Q	37.9	Very low	40.2	Very low	56 Å²	56	84.2 Å²	84.2	26%	0.262	46%	0.457	S	S	.	.	H	α-helix	trans	-58.1	-44.5	169.8	-66.5	178.1	-4.1	0	0	110.8	L110 L113 P114 F121 I122	L110-Q118 PolarHBondContact O-NE2 3.07Å; L113-Q118 HydrophobicContact CB-CG 3.92Å; L113-Q118 PolarHBondContact O-NE2 3.29Å; L113-Q118 VanDerWaalsContact O-NE2 3.12Å; P114-Q118 PolarHBondContact O-N 2.88Å; Q118-F121 PolarHBondContact O-N 3.42Å; Q118-I122 VanDerWaalsContact O-CG1 3.28Å; Q118-I122 WeakPolarHBondContact O-CG1 3.42Å; Q118-I122 PolarHBondContact O-N 3.4Å
119	K	36.6	Very low	39.2	Very low	117 Å²	117	83.2 Å²	83.2	51%	0.509	46%	0.457	S	S	.	.	H	α-helix	trans	-67.8	-41.8	179.1	-74.4	173.4	-178.4	-178.6	0	112.8	L115 V116 Y117 F121 I122 L123	L115-K119 WeakPolarHBondContact O-CB 3.49Å; L115-K119 WeakPolarHBondContact O-CG 3.09Å; L115-K119 PolarHBondContact O-N 3.48Å; V116-K119 PolarHBondContact O-N 3.15Å; Y117-K119 VanDerWaalsContact C-N 3.29Å; Y117-K119 PolarHBondContact O-N 2.9Å; K119-F121 VanDerWaalsContact C-N 3.35Å; K119-I122 PolarHBondContact O-N 3.46Å; K119-L123 WeakPolarHBondContact O-CB 3.5Å; K119-L123 PolarHBondContact O-N 3.38Å
120	L	40.6	Very low	38.5	Very low	54 Å²	54	85.7 Å²	85.7	28%	0.283	47%	0.473	S	S	.	.	H	α-helix	trans	-62	-41.5	174.9	-101.6	149.8	0	0	0	111.8	L43 L46 V116 Y117 L123 Y124	L43-L120 HydrophobicContact CD2-CD2 4.3Å; L46-L120 HydrophobicContact CD1-CD1 4.33Å; V116-L120 HydrophobicContact CG1-CD1 4.15Å; V116-L120 PolarHBondContact O-N 3.23Å; Y117-L120 PolarHBondContact O-N 3.36Å; L120-L123 WeakPolarHBondContact O-CB 3.43Å; L120-L123 PolarHBondContact O-N 2.89Å; L120-Y124 PolarHBondContact O-N 3.44Å
121	F	43	Very low	38	Very low	83 Å²	83	88.2 Å²	88.2	36%	0.364	49%	0.493	S	S	.	.	H	α-helix	trans	-65.2	-42.6	175.9	-174	-99.6	0	0	0	112	I59 Y117 Q118 K119 L123 Y124 V125	I59-F121 HydrophobicContact CD1-CZ 4.45Å; Y117-F121 WeakPolarHBondContact O-CB 3.39Å; Y117-F121 PolarHBondContact O-N 2.81Å; Q118-F121 PolarHBondContact O-N 3.42Å; K119-F121 VanDerWaalsContact C-N 3.35Å; F121-L123 VanDerWaalsContact C-N 3.32Å; F121-L123 PolarHBondContact O-N 3.05Å; F121-Y124 WeakPolarHBondContact O-CB 3.22Å; F121-Y124 PolarHBondContact O-N 3.5Å; F121-V125 HydrophobicContact CD1-CG2 4.48Å; F121-V125 HydrophobicContact CE1-CG2 4.17Å; F121-V125 HydrophobicContact CZ-CG2 4.41Å; F121-V125 WeakPolarHBondContact O-CG2 3.46Å; F121-V125 PolarHBondContact O-N 3.18Å
122	I	37.5	Very low	37.3	Very low	95 Å²	95	88 Å²	88	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-62.4	-40.5	173	-69.3	165.4	0	0	0	110.8	Q118 K119 Y124 V125 L126	Q118-I122 VanDerWaalsContact O-CG1 3.28Å; Q118-I122 WeakPolarHBondContact O-CG1 3.42Å; Q118-I122 PolarHBondContact O-N 3.4Å; K119-I122 PolarHBondContact O-N 3.46Å; I122-Y124 VanDerWaalsContact C-N 3.35Å; I122-Y124 PolarHBondContact O-N 3.24Å; I122-V125 PolarHBondContact O-N 3.24Å; I122-L126 HydrophobicContact CG2-CD1 3.6Å; I122-L126 HydrophobicContact CG2-CG 4.13Å; I122-L126 WeakPolarHBondContact O-CB 3.44Å; I122-L126 VanDerWaalsContact O-CG 3.27Å; I122-L126 WeakPolarHBondContact O-CG 3.33Å; I122-L126 PolarHBondContact O-N 3.4Å
123	L	34.7	Very low	36.4	Very low	103 Å²	103	89.2 Å²	89.2	54%	0.539	49%	0.489	S	S	.	.	H	α-helix	trans	-61.5	-44.3	176.7	-144.9	95.1	0	0	0	111.1	K119 L120 F121 V125 L126 V127	K119-L123 WeakPolarHBondContact O-CB 3.5Å; K119-L123 PolarHBondContact O-N 3.38Å; L120-L123 WeakPolarHBondContact O-CB 3.43Å; L120-L123 PolarHBondContact O-N 2.89Å; F121-L123 VanDerWaalsContact C-N 3.32Å; F121-L123 PolarHBondContact O-N 3.05Å; L123-V125 PolarHBondContact O-N 3.48Å; L123-L126 PolarHBondContact O-N 2.89Å; L123-V127 WeakPolarHBondContact O-CB 3.3Å; L123-V127 VanDerWaalsContact O-CG2 3.22Å; L123-V127 WeakPolarHBondContact O-CG2 3.3Å; L123-V127 PolarHBondContact O-N 3.11Å
124	Y	41.4	Very low	36	Very low	164 Å²	164	91.7 Å²	91.7	64%	0.643	51%	0.506	S	S	*	.	H	α-helix	trans	-58.5	-45.4	175.8	177.5	-99.5	0	0	0	111.8	L120 F121 I122 G128	L120-Y124 PolarHBondContact O-N 3.44Å; F121-Y124 WeakPolarHBondContact O-CB 3.22Å; F121-Y124 PolarHBondContact O-N 3.5Å; I122-Y124 VanDerWaalsContact C-N 3.35Å; I122-Y124 PolarHBondContact O-N 3.24Å; Y124-G128 PolarHBondContact O-N 3.25Å
125	V	35.7	Very low	35.7	Very low	67 Å²	67	92 Å²	92	41%	0.406	51%	0.51	S	S	.	.	H	α-helix	trans	-67.4	-39.6	177.2	175.4	0	0	0	0	111.8	F121 I122 L123 G128	F121-V125 HydrophobicContact CD1-CG2 4.48Å; F121-V125 HydrophobicContact CE1-CG2 4.17Å; F121-V125 HydrophobicContact CZ-CG2 4.41Å; F121-V125 WeakPolarHBondContact O-CG2 3.46Å; F121-V125 PolarHBondContact O-N 3.18Å; I122-V125 PolarHBondContact O-N 3.24Å; L123-V125 PolarHBondContact O-N 3.48Å; V125-G128 PolarHBondContact O-N 3.11Å
126	L	30.1	Very low	35.3	Very low	104 Å²	104	90 Å²	90	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-72.8	-40.5	-178.2	-74	173.7	0	0	0	113	I122 L123 G128 S129	I122-L126 HydrophobicContact CG2-CD1 3.6Å; I122-L126 HydrophobicContact CG2-CG 4.13Å; I122-L126 WeakPolarHBondContact O-CB 3.44Å; I122-L126 VanDerWaalsContact O-CG 3.27Å; I122-L126 WeakPolarHBondContact O-CG 3.33Å; I122-L126 PolarHBondContact O-N 3.4Å; L123-L126 PolarHBondContact O-N 2.89Å; L126-G128 PolarHBondContact O-N 3.21Å; L126-S129 PolarHBondContact O-N 3.46Å; L126-S129 PolarHBondContact O-OG 3.25Å
127	V	36.5	Very low	34.9	Very low	81 Å²	81	89.6 Å²	89.6	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-61	-29.8	176.6	171.4	0	0	0	0	111	L123 S129	L123-V127 WeakPolarHBondContact O-CB 3.3Å; L123-V127 VanDerWaalsContact O-CG2 3.22Å; L123-V127 WeakPolarHBondContact O-CG2 3.3Å; L123-V127 PolarHBondContact O-N 3.11Å; V127-S129 PolarHBondContact O-N 3.07Å
128	G	36.8	Very low	34.6	Very low	66 Å²	66	86.8 Å²	86.8	68%	0.68	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-10	171.8	0	0	0	0	0	115.4	Y124 V125 L126	Y124-G128 PolarHBondContact O-N 3.25Å; V125-G128 PolarHBondContact O-N 3.11Å; L126-G128 PolarHBondContact O-N 3.21Å
129	S	30	Very low	34.4	Very low	78 Å²	78	87 Å²	87	55%	0.545	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-12.3	-162.7	64.3	0	0	0	0	118.3	L126 V127	L126-S129 PolarHBondContact O-N 3.46Å; L126-S129 PolarHBondContact O-OG 3.25Å; V127-S129 PolarHBondContact O-N 3.07Å
130	N	29.4	Very low	34	Very low	91 Å²	91	85.5 Å²	85.5	49%	0.487	50%	0.5	S	S	.	.			trans	-165.5	123.9	167.4	-151.1	-57.5	0	0	0	115.3	S132 M133	N130-S132 VanDerWaalsContact C-N 3.25Å; N130-S132 PolarHBondContact O-N 2.93Å; N130-S132 PolarHBondContact OD1-N 3.41Å; N130-S132 PolarHBondContact OD1-OG 3.48Å; N130-M133 PolarHBondContact O-N 2.97Å
131	P	34.8	Very low	33.5	Very low	112 Å²	112	88.2 Å²	88.2	73%	0.727	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-13	179.1	-20.6	31.8	0	0	0	116.4	M133 T134	P131-M133 VanDerWaalsContact C-N 3.32Å; P131-M133 PolarHBondContact O-N 3.32Å; P131-T134 PolarHBondContact O-OG1 2.88Å
132	S	31.7	Very low	32.9	Very low	75 Å²	75	91.2 Å²	91.2	52%	0.524	53%	0.529	S	S	.	.	H	α-helix	trans	-73.1	-23	-179.9	54.7	0	0	0	0	113.5	N130 S135	N130-S132 VanDerWaalsContact C-N 3.25Å; N130-S132 PolarHBondContact O-N 2.93Å; N130-S132 PolarHBondContact OD1-N 3.41Å; N130-S132 PolarHBondContact OD1-OG 3.48Å; S132-S135 PolarHBondContact O-OG 2.57Å
133	M	27.4	Very low	32.6	Very low	119 Å²	119	92.7 Å²	92.7	59%	0.586	53%	0.532	S	S	*	.	H	α-helix	trans	-77.6	-26.6	179.4	-76.6	-119.3	63.2	0	0	113	N130 P131 S135 S136 I137	N130-M133 PolarHBondContact O-N 2.97Å; P131-M133 VanDerWaalsContact C-N 3.32Å; P131-M133 PolarHBondContact O-N 3.32Å; M133-S135 VanDerWaalsContact C-N 3.35Å; M133-S135 PolarHBondContact O-N 2.76Å; M133-S136 PolarHBondContact O-N 2.88Å; M133-I137 WeakPolarHBondContact O-CG1 3.24Å; M133-I137 PolarHBondContact O-N 3.22Å
134	T	35.5	Very low	32.3	Very low	81 Å²	81	93.6 Å²	93.6	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-67.3	-32.4	-176.6	3.9	0	0	0	0	112.8	P131 G138	P131-T134 PolarHBondContact O-OG1 2.88Å; T134-G138 PolarHBondContact O-N 3.33Å
135	S	33	Very low	31.7	Very low	84 Å²	84	92.9 Å²	92.9	59%	0.587	54%	0.544	S	S	*	.	H	α-helix	trans	-70.9	-36.7	180	68.1	0	0	0	0	112.9	S132 M133 S139	S132-S135 PolarHBondContact O-OG 2.57Å; M133-S135 VanDerWaalsContact C-N 3.35Å; M133-S135 PolarHBondContact O-N 2.76Å; S135-S139 PolarHBondContact O-N 3.13Å; S135-S139 PolarHBondContact O-OG 3.46Å
136	S	30.9	Very low	31.3	Very low	71 Å²	71	96.8 Å²	96.8	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-72.4	-34.3	179.3	-70	0	0	0	0	112.5	M133 S139 E140	M133-S136 PolarHBondContact O-N 2.88Å; S136-S139 PolarHBondContact O-OG 3.01Å; S136-S139 VanDerWaalsContact O-OG 3.11Å; S136-E140 PolarHBondContact O-N 3.45Å
137	I	30.4	Very low	31.2	Very low	90 Å²	90	99.6 Å²	99.6	46%	0.462	57%	0.572	S	S	.	*	H	α-helix	trans	-71.7	-41.1	178.5	-62.1	172.9	0	0	0	110.3	M133 S139 E140 L141	M133-I137 WeakPolarHBondContact O-CG1 3.24Å; M133-I137 PolarHBondContact O-N 3.22Å; I137-S139 PolarHBondContact O-N 3.47Å; I137-E140 PolarHBondContact O-N 2.89Å; I137-L141 HydrophobicContact CG2-CD1 3.83Å; I137-L141 HydrophobicContact CG2-CG 4.48Å; I137-L141 PolarHBondContact O-N 3.31Å; I137-L141 VanDerWaalsContact O-N 3.11Å
138	G	32.6	Very low	30.6	Very low	32 Å²	32	103.3 Å²	103.3	33%	0.33	58%	0.584	S	S	.	*	H	α-helix	trans	-61	-43	176.9	0	0	0	0	0	113.2	T134 E140 Q142	T134-G138 PolarHBondContact O-N 3.33Å; G138-E140 VanDerWaalsContact C-N 3.33Å; G138-E140 PolarHBondContact O-N 2.87Å; G138-Q142 PolarHBondContact O-N 3.23Å
139	S	33.8	Very low	30	Very low	60 Å²	60	103.2 Å²	103.2	42%	0.42	58%	0.583	S	S	.	*	H	α-helix	trans	-69.1	-29.6	-178.7	62.8	0	0	0	0	114	S135 S136 I137	S135-S139 PolarHBondContact O-N 3.13Å; S135-S139 PolarHBondContact O-OG 3.46Å; S136-S139 PolarHBondContact O-OG 3.01Å; S136-S139 VanDerWaalsContact O-OG 3.11Å; I137-S139 PolarHBondContact O-N 3.47Å
140	E	28.3	Very low	29.6	Very low	85 Å²	85	107.1 Å²	107.1	40%	0.397	60%	0.598	S	S	.	*	H	α-helix	trans	-88.9	-32.8	-175.8	-148	74.6	166.7	0	0	111.9	S136 I137 G138 Q142 K143 N144	S136-E140 PolarHBondContact O-N 3.45Å; I137-E140 PolarHBondContact O-N 2.89Å; G138-E140 VanDerWaalsContact C-N 3.33Å; G138-E140 PolarHBondContact O-N 2.87Å; E140-Q142 PolarHBondContact O-N 2.84Å; E140-K143 PolarHBondContact O-N 3.38Å; E140-K143 IonicContact OE1-NZ 2.85Å; E140-K143 IonicContact OE2-NZ 3.93Å; E140-K143 PolarHBondContact OE2-NZ 2.81Å; E140-N144 PolarHBondContact O-N 3.48Å
141	L	30.2	Very low	29.3	Very low	111 Å²	111	110.7 Å²	110.7	58%	0.581	61%	0.61	S	S	*	*	H	α-helix	trans	-60.7	-35.9	169.9	-80.7	167.9	0	0	0	111.9	I137 K143 N144 L145	I137-L141 HydrophobicContact CG2-CD1 3.83Å; I137-L141 HydrophobicContact CG2-CG 4.48Å; I137-L141 PolarHBondContact O-N 3.31Å; I137-L141 VanDerWaalsContact O-N 3.11Å; L141-K143 VanDerWaalsContact C-N 3.35Å; L141-K143 PolarHBondContact O-N 3.38Å; L141-N144 PolarHBondContact O-N 3.48Å; L141-L145 PolarHBondContact O-N 2.94Å
142	Q	31	Very low	28.8	Very low	147 Å²	147	115.1 Å²	115.1	69%	0.687	62%	0.618	S	S	*	*	H	α-helix	trans	-69	-29.1	177.4	-114.2	178.9	-10.6	0	0	113.8	G138 E140	G138-Q142 PolarHBondContact O-N 3.23Å; E140-Q142 PolarHBondContact O-N 2.84Å
143	K	30.2	Very low	28.4	Very low	125 Å²	125	118.7 Å²	118.7	54%	0.543	64%	0.636	S	S	.	*	H	α-helix	trans	-72.9	-36.9	177.1	-76.9	-179.7	-166.2	149.5	0	112.4	E140 L141	E140-K143 PolarHBondContact O-N 3.38Å; E140-K143 IonicContact OE1-NZ 2.85Å; E140-K143 IonicContact OE2-NZ 3.93Å; E140-K143 PolarHBondContact OE2-NZ 2.81Å; L141-K143 VanDerWaalsContact C-N 3.35Å; L141-K143 PolarHBondContact O-N 3.38Å
144	N	28.7	Very low	28.2	Very low	123 Å²	123	116.3 Å²	116.3	66%	0.658	64%	0.642	S	S	*	*	H	α-helix	trans	-81.2	-23.1	-175.3	-70.4	-8.6	0	0	0	113.1	E140 L141 L146 Q147	E140-N144 PolarHBondContact O-N 3.48Å; L141-N144 PolarHBondContact O-N 3.48Å; N144-L146 PolarHBondContact O-N 3.49Å; N144-Q147 PolarHBondContact O-N 3.3Å
145	L	28.6	Very low	27.7	Very low	149 Å²	149	122.2 Å²	122.2	78%	0.78	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-12.7	175.4	-80.8	163.4	0	0	0	114.1	L141	L141-L145 PolarHBondContact O-N 2.94Å
146	L	28.1	Very low	27.3	Very low	149 Å²	149	125.5 Å²	125.5	78%	0.78	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	0.5	178	-76.8	168.6	0	0	0	114.2	N144	N144-L146 PolarHBondContact O-N 3.49Å
147	Q	27.2	Very low	26.9	Very low	163 Å²	163	131.6 Å²	131.6	76%	0.762	69%	0.693	S	S	*	*	S	Bend	trans	-134.2	94.8	173.5	-71	-174.8	-9.6	0	0	109.3	N144	N144-Q147 PolarHBondContact O-N 3.3Å
148	E	24.2	Very low	26.7	Very low	158 Å²	158	132.3 Å²	132.3	74%	0.738	70%	0.703	S	S	*	*			trans	170.8	102.1	134.7	-92.5	165.9	-178.3	0	0	110.8	F151	E148-F151 HydrophobicContact CB-CE2 4.17Å; E148-F151 HydrophobicContact CG-CE2 4.16Å; E148-F151 VanDerWaalsContact OE2-CE2 3.3Å; E148-F151 WeakPolarHBondContact OE2-CE2 3.38Å
149	G	23.4	Very low	26.2	Very low	64 Å²	64	136 Å²	136	66%	0.66	72%	0.724	S	S	*	*			trans	-87	152	151.3	0	0	0	0	0	109.8
150	N	23	Very low	25.7	Very low	160 Å²	160	140 Å²	140	86%	0.856	74%	0.739	S	S	*	*			trans	77.4	76.8	167.3	-55.5	-22.1	0	0	0	117.6
151	F	23.5	Very low	25.4	Very low	167 Å²	167	144.8 Å²	144.8	73%	0.732	76%	0.761	S	S	*	*			trans	-106.1	100.5	152.3	-76.8	-79.9	0	0	0	110.1	E148	E148-F151 HydrophobicContact CB-CE2 4.17Å; E148-F151 HydrophobicContact CG-CE2 4.16Å; E148-F151 VanDerWaalsContact OE2-CE2 3.3Å; E148-F151 WeakPolarHBondContact OE2-CE2 3.38Å
152	K	23.2	Very low	25.2	Very low	205 Å²	205	144.4 Å²	144.4	89%	0.891	76%	0.759	S	S	*	*			trans	-77.7	135.5	167.6	-80.4	-175.5	175.9	-180	0	109.6	G154	K152-G154 PolarHBondContact O-N 3Å
153	T	23.3	Very low	25.1	Very low	150 Å²	150	143.3 Å²	143.3	92%	0.92	77%	0.765	S	S	*	*			trans	-69.3	108.7	-177.7	43	0	0	0	0	111.5
154	G	23.2	Very low	25	Very low	69 Å²	69	145.7 Å²	145.7	71%	0.711	77%	0.771	S	S	*	*			trans	-132.6	121.2	172.4	0	0	0	0	0	110	K152 N156	K152-G154 PolarHBondContact O-N 3Å; G154-N156 PolarHBondContact O-N 3.4Å
155	K	24.3	Very low	25	Very low	205 Å²	205	145.3 Å²	145.3	89%	0.891	77%	0.769	S	S	*	*	S	Bend	trans	-66.6	114.7	179.3	-68.6	174.8	175.5	177.8	0	110.3
156	N	25.4	Very low	25.2	Very low	153 Å²	153	142.3 Å²	142.3	82%	0.818	75%	0.753	S	S	*	*			trans	166.6	103	145.4	-85.6	-13	0	0	0	106	G154 P158	G154-N156 PolarHBondContact O-N 3.4Å; N156-P158 WeakPolarHBondContact O-CD 3.37Å; N156-P158 VanDerWaalsContact O-N 3.13Å
157	E	23.1	Very low	25.2	Very low	198 Å²	198	138.3 Å²	138.3	93%	0.925	74%	0.737	S	S	*	*			trans	-53.6	109.3	-176.9	-64.6	176.1	154.6	0	0	111.2
158	P	24.8	Very low	25.6	Very low	105 Å²	105	133.6 Å²	133.6	68%	0.682	72%	0.722	S	S	*	*			trans	-86.3	117.7	159.6	25	-8	0	0	0	106.5	N156 I160	N156-P158 WeakPolarHBondContact O-CD 3.37Å; N156-P158 VanDerWaalsContact O-N 3.13Å; P158-I160 PolarHBondContact O-N 2.88Å
159	S	23.2	Very low	26	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	72%	0.72	S	S	*	*			trans	-33.2	107.8	164.1	52.4	0	0	0	0	110.5	Q161	S159-Q161 VanDerWaalsContact C-N 3.3Å; S159-Q161 PolarHBondContact O-N 3.01Å
160	I	23.6	Very low	26.4	Very low	145 Å²	145	134.9 Å²	134.9	74%	0.744	71%	0.711	S	S	*	*			trans	-64.3	94	-177	-59.8	171.4	0	0	0	107.3	P158 L162	P158-I160 PolarHBondContact O-N 2.88Å; I160-L162 HydrophobicContact CG2-CD2 4.33Å; I160-L162 HydrophobicContact CG2-CG 4.04Å; I160-L162 PolarHBondContact O-N 3.25Å
161	Q	22.2	Very low	27	Very low	185 Å²	185	133.8 Å²	133.8	86%	0.864	70%	0.698	S	S	*	*			trans	-67.1	88.7	161.4	-89.3	-172.9	-13.1	0	0	106.7	S159	S159-Q161 VanDerWaalsContact C-N 3.3Å; S159-Q161 PolarHBondContact O-N 3.01Å
162	L	25.4	Very low	27.8	Very low	103 Å²	103	128.7 Å²	128.7	54%	0.539	68%	0.683	S	S	.	*			trans	-52.1	125.3	171.1	-83.6	161.7	0	0	0	108.2	I160 W164	I160-L162 HydrophobicContact CG2-CD2 4.33Å; I160-L162 HydrophobicContact CG2-CG 4.04Å; I160-L162 PolarHBondContact O-N 3.25Å; L162-W164 HydrophobicContact CB-CG 4.4Å; L162-W164 PolarHBondContact O-N 3.18Å
163	P	27.8	Very low	28.3	Very low	125 Å²	125	125.3 Å²	125.3	81%	0.812	67%	0.669	S	S	*	*			trans	-75	42.3	-174.8	33.5	-37.5	0	0	0	113.5
164	W	29.3	Very low	28.8	Very low	175 Å²	175	122 Å²	122	66%	0.663	65%	0.645	S	S	*	*			trans	-112.5	86	-165.6	-66.3	72.2	0	0	0	110.5	L162 I166	L162-W164 HydrophobicContact CB-CG 4.4Å; L162-W164 PolarHBondContact O-N 3.18Å; W164-I166 HydrophobicContact CB-CD1 3.85Å; W164-I166 HydrophobicContact CB-CG1 3.93Å; W164-I166 HydrophobicContact CD2-CD1 4.16Å; W164-I166 HydrophobicContact CD2-CG1 4.36Å; W164-I166 HydrophobicContact CE3-CD1 3.61Å; W164-I166 HydrophobicContact CE3-CG1 3.62Å; W164-I166 HydrophobicContact CG-CD1 4.31Å; W164-I166 HydrophobicContact CZ3-CD1 4.49Å; W164-I166 PolarHBondContact O-N 3.48Å
165	N	28.4	Very low	29.5	Very low	115 Å²	115	122.9 Å²	122.9	62%	0.615	63%	0.633	S	S	*	*			trans	-79.6	62.5	157.1	-152.9	-16.8	0	0	0	109.1	S167 S168	N165-S167 PolarHBondContact O-N 3.19Å; N165-S167 VanDerWaalsContact O-N 3.16Å; N165-S168 PolarHBondContact O-N 2.9Å; N165-S168 PolarHBondContact O-OG 3.38Å
166	I	32.1	Very low	30.4	Very low	86 Å²	86	117.2 Å²	117.2	44%	0.441	61%	0.612	S	S	.	*	H	α-helix	trans	-54.2	-32.2	176.8	-74.8	155.2	0	0	0	110.6	W164 S168 K169 I170	W164-I166 HydrophobicContact CB-CD1 3.85Å; W164-I166 HydrophobicContact CB-CG1 3.93Å; W164-I166 HydrophobicContact CD2-CD1 4.16Å; W164-I166 HydrophobicContact CD2-CG1 4.36Å; W164-I166 HydrophobicContact CE3-CD1 3.61Å; W164-I166 HydrophobicContact CE3-CG1 3.62Å; W164-I166 HydrophobicContact CG-CD1 4.31Å; W164-I166 HydrophobicContact CZ3-CD1 4.49Å; W164-I166 PolarHBondContact O-N 3.48Å; I166-S168 VanDerWaalsContact C-N 3.27Å; I166-S168 PolarHBondContact O-N 3.25Å; I166-K169 PolarHBondContact O-N 3.19Å; I166-I170 HydrophobicContact CG2-CD1 3.36Å; I166-I170 HydrophobicContact CG2-CG1 3.84Å; I166-I170 WeakPolarHBondContact O-CB 3.46Å; I166-I170 WeakPolarHBondContact O-CG1 3.35Å; I166-I170 PolarHBondContact O-N 3.37Å
167	S	29.7	Very low	30.8	Very low	64 Å²	64	114.2 Å²	114.2	45%	0.448	59%	0.594	S	S	.	*	H	α-helix	trans	-56.1	-40.6	175.7	-170.8	0	0	0	0	112	N165 K171	N165-S167 PolarHBondContact O-N 3.19Å; N165-S167 VanDerWaalsContact O-N 3.16Å; S167-K171 WeakPolarHBondContact O-CB 3.39Å; S167-K171 VanDerWaalsContact O-CG 3.28Å; S167-K171 WeakPolarHBondContact O-CG 3.42Å; S167-K171 PolarHBondContact O-N 2.72Å
168	S	35.4	Very low	31.3	Very low	64 Å²	64	110.4 Å²	110.4	45%	0.448	58%	0.576	S	S	.	*	H	α-helix	trans	-73.6	-37.9	-179.1	76.3	0	0	0	0	112.5	N165 I166 S172	N165-S168 PolarHBondContact O-N 2.9Å; N165-S168 PolarHBondContact O-OG 3.38Å; I166-S168 VanDerWaalsContact C-N 3.27Å; I166-S168 PolarHBondContact O-N 3.25Å; S168-S172 VanDerWaalsContact O-CB 3.26Å; S168-S172 WeakPolarHBondContact O-CB 3.22Å; S168-S172 PolarHBondContact O-N 3.36Å
169	K	32.4	Very low	31.8	Very low	158 Å²	158	111.9 Å²	111.9	69%	0.687	57%	0.571	S	S	*	*	H	α-helix	trans	-73.1	-37.2	176.7	-93.8	-176.9	177.2	178.7	0	112.6	I166 S172 F173	I166-K169 PolarHBondContact O-N 3.19Å; K169-S172 PolarHBondContact O-N 3.28Å; K169-F173 WeakPolarHBondContact O-CB 3.39Å; K169-F173 PolarHBondContact O-N 3.49Å
170	I	31.2	Very low	32.3	Very low	92 Å²	92	112.6 Å²	112.6	47%	0.472	56%	0.563	S	S	.	*	H	α-helix	trans	-67.5	-44.4	172.1	-66.7	-179.8	0	0	0	110	I166 S172 F173 I174	I166-I170 HydrophobicContact CG2-CD1 3.36Å; I166-I170 HydrophobicContact CG2-CG1 3.84Å; I166-I170 WeakPolarHBondContact O-CB 3.46Å; I166-I170 WeakPolarHBondContact O-CG1 3.35Å; I166-I170 PolarHBondContact O-N 3.37Å; I170-S172 VanDerWaalsContact C-N 3.28Å; I170-S172 PolarHBondContact O-N 2.85Å; I170-F173 PolarHBondContact O-N 2.92Å; I170-I174 HydrophobicContact CG2-CD1 3.63Å; I170-I174 HydrophobicContact CG2-CG1 4.2Å; I170-I174 WeakPolarHBondContact O-CB 3.24Å; I170-I174 VanDerWaalsContact O-CG1 3.3Å; I170-I174 WeakPolarHBondContact O-CG1 3.29Å; I170-I174 PolarHBondContact O-N 3.46Å
171	K	36	Very low	32.7	Very low	136 Å²	136	109.4 Å²	109.4	59%	0.591	55%	0.55	S	S	*	.	H	α-helix	trans	-60.5	-37.4	172.6	-81.6	179.3	174.8	179.3	0	112	S167 N175	S167-K171 WeakPolarHBondContact O-CB 3.39Å; S167-K171 VanDerWaalsContact O-CG 3.28Å; S167-K171 WeakPolarHBondContact O-CG 3.42Å; S167-K171 PolarHBondContact O-N 2.72Å; K171-N175 WeakPolarHBondContact O-CB 3.28Å; K171-N175 VanDerWaalsContact O-CG 3.31Å; K171-N175 PolarHBondContact O-N 3.47Å
172	S	39.4	Very low	33.1	Very low	60 Å²	60	103.1 Å²	103.1	42%	0.42	53%	0.529	S	S	.	.	H	α-helix	trans	-67.9	-40.3	174.8	178.6	0	0	0	0	112	S168 K169 I170 N176	S168-S172 VanDerWaalsContact O-CB 3.26Å; S168-S172 WeakPolarHBondContact O-CB 3.22Å; S168-S172 PolarHBondContact O-N 3.36Å; K169-S172 PolarHBondContact O-N 3.28Å; I170-S172 VanDerWaalsContact C-N 3.28Å; I170-S172 PolarHBondContact O-N 2.85Å; S172-N176 VanDerWaalsContact O-CB 3.23Å; S172-N176 WeakPolarHBondContact O-CB 3.17Å; S172-N176 PolarHBondContact O-N 3.09Å; S172-N176 PolarHBondContact O-ND2 3Å
173	F	33.8	Very low	33.4	Very low	135 Å²	135	103 Å²	103	59%	0.592	54%	0.536	S	S	*	.	H	α-helix	trans	-69.7	-43.3	179	-173.3	-95.7	0	0	0	111.2	K169 I170 N176 Q177	K169-F173 WeakPolarHBondContact O-CB 3.39Å; K169-F173 PolarHBondContact O-N 3.49Å; I170-F173 PolarHBondContact O-N 2.92Å; F173-N176 PolarHBondContact O-N 3.5Å; F173-Q177 HydrophobicContact CD1-CG 4.26Å; F173-Q177 HydrophobicContact CE1-CG 3.89Å; F173-Q177 HydrophobicContact CZ-CG 4.19Å; F173-Q177 WeakPolarHBondContact O-CB 3.43Å; F173-Q177 WeakPolarHBondContact O-CG 3.13Å; F173-Q177 PolarHBondContact O-N 3.37Å
174	I	34.8	Very low	33.6	Very low	80 Å²	80	105.7 Å²	105.7	41%	0.41	54%	0.535	S	S	.	.	H	α-helix	trans	-64.2	-47.1	173.5	-65.9	172.9	0	0	0	110.1	I170 N176 Q177 E178	I170-I174 HydrophobicContact CG2-CD1 3.63Å; I170-I174 HydrophobicContact CG2-CG1 4.2Å; I170-I174 WeakPolarHBondContact O-CB 3.24Å; I170-I174 VanDerWaalsContact O-CG1 3.3Å; I170-I174 WeakPolarHBondContact O-CG1 3.29Å; I170-I174 PolarHBondContact O-N 3.46Å; I174-N176 PolarHBondContact O-N 3.03Å; I174-Q177 PolarHBondContact O-N 3.11Å; I174-E178 HydrophobicContact CG2-CG 4.23Å; I174-E178 WeakPolarHBondContact O-CB 3.19Å; I174-E178 WeakPolarHBondContact O-CG 3.3Å; I174-E178 PolarHBondContact O-N 3.32Å
175	N	38.2	Very low	33.6	Very low	87 Å²	87	103.8 Å²	103.8	47%	0.465	54%	0.536	S	S	.	.	H	α-helix	trans	-62.9	-30.5	175.9	-83.9	-2.5	0	0	0	112.3	K171 K179	K171-N175 WeakPolarHBondContact O-CB 3.28Å; K171-N175 VanDerWaalsContact O-CG 3.31Å; K171-N175 PolarHBondContact O-N 3.47Å; N175-K179 WeakPolarHBondContact O-CB 3.47Å; N175-K179 WeakPolarHBondContact O-CG 3.23Å; N175-K179 PolarHBondContact O-N 3.14Å
176	N	42.2	Very low	33.4	Very low	86 Å²	86	109.2 Å²	109.2	46%	0.46	55%	0.548	S	S	.	.	H	α-helix	trans	-76.4	-38.6	176.3	-75.9	-9.3	0	0	0	111.8	S172 F173 I174 K179 E180	S172-N176 VanDerWaalsContact O-CB 3.23Å; S172-N176 WeakPolarHBondContact O-CB 3.17Å; S172-N176 PolarHBondContact O-N 3.09Å; S172-N176 PolarHBondContact O-ND2 3Å; F173-N176 PolarHBondContact O-N 3.5Å; I174-N176 PolarHBondContact O-N 3.03Å; N176-K179 PolarHBondContact O-N 3.3Å; N176-E180 PolarHBondContact O-N 3.17Å
177	Q	33.6	Very low	33.1	Very low	91 Å²	91	108 Å²	108	43%	0.425	56%	0.557	S	S	.	*	H	α-helix	trans	-66.9	-43.2	172.3	-76.9	-84.3	-41	0	0	111.4	F173 I174 K179 E180 V181	F173-Q177 HydrophobicContact CD1-CG 4.26Å; F173-Q177 HydrophobicContact CE1-CG 3.89Å; F173-Q177 HydrophobicContact CZ-CG 4.19Å; F173-Q177 WeakPolarHBondContact O-CB 3.43Å; F173-Q177 WeakPolarHBondContact O-CG 3.13Å; F173-Q177 PolarHBondContact O-N 3.37Å; I174-Q177 PolarHBondContact O-N 3.11Å; Q177-K179 VanDerWaalsContact C-N 3.33Å; Q177-K179 PolarHBondContact O-N 2.9Å; Q177-E180 PolarHBondContact O-N 2.96Å; Q177-V181 WeakPolarHBondContact O-CB 3.29Å; Q177-V181 VanDerWaalsContact O-CG2 3.27Å; Q177-V181 WeakPolarHBondContact O-CG2 3.41Å; Q177-V181 PolarHBondContact O-N 3.11Å
178	E	34.2	Very low	33	Very low	118 Å²	118	110.5 Å²	110.5	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-67.6	-32.1	173.8	-74.1	-172.7	170.6	0	0	111.5	I174 A182	I174-E178 HydrophobicContact CG2-CG 4.23Å; I174-E178 WeakPolarHBondContact O-CB 3.19Å; I174-E178 WeakPolarHBondContact O-CG 3.3Å; I174-E178 PolarHBondContact O-N 3.32Å; E178-A182 WeakPolarHBondContact O-CA 3.07Å; E178-A182 WeakPolarHBondContact O-CB 3.31Å; E178-A182 PolarHBondContact O-N 2.93Å
179	K	34.6	Very low	32.5	Very low	136 Å²	136	112.6 Å²	112.6	59%	0.591	59%	0.589	S	S	*	*	H	α-helix	trans	-69.4	-38.9	168.8	-81.2	176.6	179.5	-175.6	0	112.1	N175 N176 Q177 V181 C183	N175-K179 WeakPolarHBondContact O-CB 3.47Å; N175-K179 WeakPolarHBondContact O-CG 3.23Å; N175-K179 PolarHBondContact O-N 3.14Å; N176-K179 PolarHBondContact O-N 3.3Å; Q177-K179 VanDerWaalsContact C-N 3.33Å; Q177-K179 PolarHBondContact O-N 2.9Å; K179-V181 VanDerWaalsContact C-N 3.32Å; K179-V181 PolarHBondContact O-N 3.37Å; K179-C183 WeakPolarHBondContact O-CA 3.4Å; K179-C183 WeakPolarHBondContact O-CB 3.27Å; K179-C183 PolarHBondContact O-N 2.82Å; K179-C183 PolarHBondContact O-SG 3.32Å
180	E	33.2	Very low	32.1	Very low	123 Å²	123	110 Å²	110	58%	0.575	59%	0.591	S	S	*	*	H	α-helix	trans	-67	-34.2	174.8	-81.9	-172.6	154.4	0	0	112.4	N176 Q177 K184	N176-E180 PolarHBondContact O-N 3.17Å; Q177-E180 PolarHBondContact O-N 2.96Å; E180-K184 WeakPolarHBondContact O-CG 3.24Å; E180-K184 PolarHBondContact O-N 3.11Å
181	V	33.2	Very low	31.9	Very low	78 Å²	78	111.2 Å²	111.2	47%	0.473	60%	0.603	S	S	.	*	H	α-helix	trans	-80.9	-36.8	176.6	177.3	0	0	0	0	111.4	Q177 K179 K184 I185	Q177-V181 WeakPolarHBondContact O-CB 3.29Å; Q177-V181 VanDerWaalsContact O-CG2 3.27Å; Q177-V181 WeakPolarHBondContact O-CG2 3.41Å; Q177-V181 PolarHBondContact O-N 3.11Å; K179-V181 VanDerWaalsContact C-N 3.32Å; K179-V181 PolarHBondContact O-N 3.37Å; V181-K184 WeakPolarHBondContact O-CB 3.13Å; V181-K184 PolarHBondContact O-N 3.36Å; V181-I185 HydrophobicContact CG1-CD1 4.12Å; V181-I185 WeakPolarHBondContact O-CG1 3.43Å; V181-I185 PolarHBondContact O-N 2.96Å
182	A	30.9	Very low	31.3	Very low	53 Å²	53	114.3 Å²	114.3	44%	0.438	62%	0.619	S	S	.	*	H	α-helix	trans	-73.7	-34.6	175.5	0	0	0	0	0	112.2	E178 K184 I185 R186	E178-A182 WeakPolarHBondContact O-CA 3.07Å; E178-A182 WeakPolarHBondContact O-CB 3.31Å; E178-A182 PolarHBondContact O-N 2.93Å; A182-K184 PolarHBondContact O-N 2.99Å; A182-I185 PolarHBondContact O-N 2.84Å; A182-R186 PolarHBondContact O-N 3.22Å
183	C	31.4	Very low	30.5	Very low	101 Å²	101	122 Å²	122	68%	0.682	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-19.5	169	-73.8	0	0	0	0	112	K179	K179-C183 WeakPolarHBondContact O-CA 3.4Å; K179-C183 WeakPolarHBondContact O-CB 3.27Å; K179-C183 PolarHBondContact O-N 2.82Å; K179-C183 PolarHBondContact O-SG 3.32Å
184	K	31.6	Very low	30.1	Very low	181 Å²	181	124.3 Å²	124.3	79%	0.787	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-12.6	169.4	-76.2	176.6	-179.5	175.8	0	114	E180 V181 A182	E180-K184 WeakPolarHBondContact O-CG 3.24Å; E180-K184 PolarHBondContact O-N 3.11Å; V181-K184 WeakPolarHBondContact O-CB 3.13Å; V181-K184 PolarHBondContact O-N 3.36Å; A182-K184 PolarHBondContact O-N 2.99Å
185	I	30.1	Very low	29.5	Very low	135 Å²	135	126.8 Å²	126.8	69%	0.692	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	-17.5	-176.9	-62	172.3	0	0	0	112.9	V181 A182	V181-I185 HydrophobicContact CG1-CD1 4.12Å; V181-I185 WeakPolarHBondContact O-CG1 3.43Å; V181-I185 PolarHBondContact O-N 2.96Å; A182-I185 PolarHBondContact O-N 2.84Å
186	R	24.5	Very low	28.8	Very low	229 Å²	229	126.9 Å²	126.9	86%	0.864	69%	0.688	S	S	*	*	S	Bend	trans	-113.4	85.1	172	-79.4	-175.5	175.1	176.5	-1.1	111.4	A182	A182-R186 PolarHBondContact O-N 3.22Å
187	G	25.4	Very low	28.1	Very low	60 Å²	60	128.6 Å²	128.6	62%	0.619	71%	0.706	S	S	*	*	S	Bend	trans	-173.3	70.1	175.3	0	0	0	0	0	110.9
188	S	26	Very low	27.7	Very low	117 Å²	117	128.9 Å²	128.9	82%	0.818	72%	0.719	S	S	*	*			trans	45.1	115.8	154.2	55.4	0	0	0	0	119.3
189	S	25.5	Very low	27.4	Very low	108 Å²	108	131.4 Å²	131.4	76%	0.755	74%	0.735	S	S	*	*			trans	-17.7	142.2	159	51.3	0	0	0	0	118.3
190	S	25.2	Very low	27	Very low	104 Å²	104	134.7 Å²	134.7	73%	0.727	75%	0.749	S	S	*	*			trans	76.9	96.9	159.2	72.8	0	0	0	0	117
191	T	25.7	Very low	26.5	Very low	117 Å²	117	141 Å²	141	72%	0.718	77%	0.768	S	S	*	*				176.4	115.6	111.1	32	0	0	0	0	108.2	R193	T191-R193 VanDerWaalsContact C-N 3.28Å; T191-R193 PolarHBondContact O-N 2.87Å
192	E	23.9	Very low	26.2	Very low	201 Å²	201	141.7 Å²	141.7	94%	0.939	77%	0.772	S	S	*	*			trans	-58.4	90.9	166	-74.1	174.8	137	0	0	108.8	Q194	E192-Q194 PolarHBondContact O-N 3.22Å
193	R	23.6	Very low	25.9	Very low	223 Å²	223	143.9 Å²	143.9	84%	0.842	78%	0.777	S	S	*	*			trans	-77.5	94.2	168.5	-78.7	-172.2	179.7	178.7	0.3	108.2	T191 C195	T191-R193 VanDerWaalsContact C-N 3.28Å; T191-R193 PolarHBondContact O-N 2.87Å; R193-C195 PolarHBondContact O-N 2.72Å
194	Q	23.8	Very low	25.8	Very low	182 Å²	182	144.8 Å²	144.8	85%	0.85	78%	0.781	S	S	*	*			trans	-40.4	122.5	154.7	-72.7	174.6	-17.2	0	0	109.1	E192 A196	E192-Q194 PolarHBondContact O-N 3.22Å; Q194-A196 VanDerWaalsContact C-N 3.31Å; Q194-A196 PolarHBondContact O-N 2.78Å
195	C	22.2	Very low	25.6	Very low	132 Å²	132	144 Å²	144	89%	0.892	78%	0.78	S	S	*	*			trans	-60.4	92.8	174.1	-69.2	0	0	0	0	109.3	R193 S197	R193-C195 PolarHBondContact O-N 2.72Å; C195-S197 PolarHBondContact O-N 3.47Å
196	A	24.2	Very low	25.4	Very low	90 Å²	90	145.1 Å²	145.1	74%	0.744	78%	0.78	S	S	*	*			trans	-66.3	114.4	170.9	0	0	0	0	0	108.9	Q194 S198	Q194-A196 VanDerWaalsContact C-N 3.31Å; Q194-A196 PolarHBondContact O-N 2.78Å; A196-S198 PolarHBondContact O-N 3.39Å; A196-S198 VanDerWaalsContact O-N 3.12Å
197	S	26.9	Very low	25.4	Very low	121 Å²	121	141.4 Å²	141.4	85%	0.846	78%	0.775	S	S	*	*			trans	-61.8	99.1	170.3	52.5	0	0	0	0	110.9	C195	C195-S197 PolarHBondContact O-N 3.47Å
198	S	25.6	Very low	25.4	Very low	98 Å²	98	147.5 Å²	147.5	69%	0.685	78%	0.779	S	S	*	*			trans	-156.5	81.2	167.5	64	0	0	0	0	112.2	A196	A196-S198 PolarHBondContact O-N 3.39Å; A196-S198 VanDerWaalsContact O-N 3.12Å
199	L	28.1	Very low	25.5	Very low	171 Å²	171	151.8 Å²	151.8	90%	0.895	78%	0.778	S	S	*	*			trans	-163	54.4	157.5	-109.3	137.6	0	0	0	111.7
200	F	25.5	Very low	25.5	Very low	204 Å²	204	151.7 Å²	151.7	90%	0.895	77%	0.774	S	S	*	*			trans	-112.2	91.4	158.7	-76.4	-78.6	0	0	0	108.1	V202	F200-V202 PolarHBondContact O-N 3.42Å
201	R	23.1	Very low	25.5	Very low	255 Å²	255	154.7 Å²	154.7	96%	0.962	78%	0.781	S	S	*	*			trans	-81.3	103.3	159.7	-89.5	-173.3	172.4	170.8	-1.5	107	D203	R201-D203 PolarHBondContact O-N 3.35Å
202	V	26.8	Very low	25.3	Very low	93 Å²	93	154.5 Å²	154.5	56%	0.564	78%	0.779	S	S	*	*			trans	-73.1	118.1	179.4	179.6	0	0	0	0	108.5	F200	F200-V202 PolarHBondContact O-N 3.42Å
203	D	25.7	Very low	25.3	Very low	100 Å²	100	150.5 Å²	150.5	54%	0.535	77%	0.77	S	S	.	*			trans	-62.3	124.8	169	-170.1	-37.3	0	0	0	109	R201 H205 F206	R201-D203 PolarHBondContact O-N 3.35Å; D203-H205 PolarHBondContact O-N 2.85Å; D203-H205 IonicContact OD1-CG 2.84Å; D203-H205 PolarHBondContact OD1-N 2.79Å; D203-H205 VanDerWaalsContact OD1-N 3.15Å; D203-H205 IonicContact OD1-ND1 3.68Å; D203-H205 PolarHBondContact OD1-ND1 2.68Å; D203-F206 PolarHBondContact O-N 3.37Å; D203-F206 VanDerWaalsContact O-N 3.12Å
204	P	29.4	Very low	25.3	Very low	119 Å²	119	145.2 Å²	145.2	77%	0.773	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-3.2	-174.7	25.3	-32.1	0	0	0	114.6
205	H	26.7	Very low	25.3	Very low	165 Å²	165	141.8 Å²	141.8	76%	0.764	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-0.8	172.9	-60.7	88	0	0	0	114	D203 M207	D203-H205 PolarHBondContact O-N 2.85Å; D203-H205 IonicContact OD1-CG 2.84Å; D203-H205 PolarHBondContact OD1-N 2.79Å; D203-H205 VanDerWaalsContact OD1-N 3.15Å; D203-H205 IonicContact OD1-ND1 3.68Å; D203-H205 PolarHBondContact OD1-ND1 2.68Å; H205-M207 VanDerWaalsContact C-N 3.3Å; H205-M207 PolarHBondContact O-N 2.71Å
206	F	26.4	Very low	25.5	Very low	158 Å²	158	141.7 Å²	141.7	69%	0.693	75%	0.751	S	S	*	*			trans	-76.9	84.3	172.7	-137.4	-90.5	0	0	0	109.3	D203 R208	D203-F206 PolarHBondContact O-N 3.37Å; D203-F206 VanDerWaalsContact O-N 3.12Å; F206-R208 HydrophobicContact CD1-CG 4.33Å; F206-R208 PolarHBondContact O-N 3.28Å
207	M	23.4	Very low	25.4	Very low	152 Å²	152	142.4 Å²	142.4	75%	0.749	75%	0.749	S	S	*	*			trans	-59.7	87.3	167.6	-73.5	-177.4	80.7	0	0	109	H205 Y209	H205-M207 VanDerWaalsContact C-N 3.3Å; H205-M207 PolarHBondContact O-N 2.71Å; M207-Y209 PolarHBondContact O-N 3.15Å; M207-Y209 VanDerWaalsContact O-N 3.09Å
208	R	25.4	Very low	25.2	Very low	188 Å²	188	142.7 Å²	142.7	71%	0.709	75%	0.748	S	S	*	*			trans	-67.2	102.4	167.2	-89.5	-178.1	171.6	174	-2.1	107.7	F206 T210	F206-R208 HydrophobicContact CD1-CG 4.33Å; F206-R208 PolarHBondContact O-N 3.28Å; R208-T210 PolarHBondContact O-N 3.23Å; R208-T210 PolarHBondContact O-OG1 3.2Å
209	Y	27.7	Very low	25.1	Very low	206 Å²	206	145 Å²	145	81%	0.808	75%	0.752	S	S	*	*			trans	-62.3	88	153.8	-69.4	-79.1	0	0	0	107.7	M207 L211	M207-Y209 PolarHBondContact O-N 3.15Å; M207-Y209 VanDerWaalsContact O-N 3.09Å; Y209-L211 PolarHBondContact O-N 2.81Å
210	T	26.1	Very low	24.8	Very low	107 Å²	107	145.9 Å²	145.9	66%	0.656	75%	0.751	S	S	*	*			trans	-75.5	109.7	169.9	-44.2	0	0	0	0	105.6	R208 V212	R208-T210 PolarHBondContact O-N 3.23Å; R208-T210 PolarHBondContact O-OG1 3.2Å; T210-V212 PolarHBondContact O-N 3.14Å
211	L	25.2	Very low	24.8	Very low	167 Å²	167	144 Å²	144	87%	0.874	75%	0.749	S	S	*	*			trans	-56.9	103.2	171.1	-75.8	156.5	0	0	0	107.7	Y209 P213	Y209-L211 PolarHBondContact O-N 2.81Å; L211-P213 WeakPolarHBondContact O-CD 3.24Å
212	V	22.5	Very low	24.7	Very low	113 Å²	113	141.5 Å²	141.5	69%	0.685	75%	0.745	S	S	*	*			trans	-85.5	109.2	171.5	179.6	0	0	0	0	107.1	T210 V214	T210-V212 PolarHBondContact O-N 3.14Å; V212-V214 HydrophobicContact CG1-CG2 4.28Å; V212-V214 PolarHBondContact O-N 3.37Å
213	P	23	Very low	24.6	Very low	116 Å²	116	142.1 Å²	142.1	75%	0.753	75%	0.754	S	S	*	*			trans	-72.2	108	168.5	30	-29.6	0	0	0	107.2	L211 P215	L211-P213 WeakPolarHBondContact O-CD 3.24Å; P213-P215 VanDerWaalsContact O-CD 3.25Å; P213-P215 WeakPolarHBondContact O-CD 3.31Å
214	V	23.1	Very low	24.5	Very low	112 Å²	112	147 Å²	147	68%	0.679	77%	0.77	S	S	*	*			trans	-80.4	114.5	173.8	-179.9	0	0	0	0	108.2	V212 V216	V212-V214 HydrophobicContact CG1-CG2 4.28Å; V212-V214 PolarHBondContact O-N 3.37Å; V214-V216 PolarHBondContact O-N 3.09Å
215	P	23.6	Very low	24.2	Very low	110 Å²	110	147.4 Å²	147.4	71%	0.714	77%	0.771	S	S	*	*			trans	-73.5	113	171.7	29.8	-29.8	0	0	0	108.4	P213 C217	P213-P215 VanDerWaalsContact O-CD 3.25Å; P213-P215 WeakPolarHBondContact O-CD 3.31Å; P215-C217 PolarHBondContact O-N 3.07Å; P215-C217 VanDerWaalsContact O-N 3.12Å
216	V	26.3	Very low	24.1	Very low	131 Å²	131	144.8 Å²	144.8	79%	0.794	77%	0.771	S	S	*	*			trans	-73.1	103.1	-178.7	-176.1	0	0	0	0	108.8	V214	V214-V216 PolarHBondContact O-N 3.09Å
217	C	22.8	Very low	23.9	Very low	104 Å²	104	140.9 Å²	140.9	70%	0.703	78%	0.776	S	S	*	*			trans	-65.9	126.4	169.9	-72.1	0	0	0	0	109.9	P215 I219	P215-C217 PolarHBondContact O-N 3.07Å; P215-C217 VanDerWaalsContact O-N 3.12Å; C217-I219 PolarHBondContact O-N 2.97Å
218	P	23.2	Very low	23.9	Very low	127 Å²	127	142 Å²	142	83%	0.825	78%	0.779	S	S	*	*			trans	-76.4	109.4	-177.3	29.2	-31.6	0	0	0	110.4	Q220	P218-Q220 PolarHBondContact O-N 2.79Å
219	I	23.3	Very low	23.9	Very low	148 Å²	148	139 Å²	139	76%	0.759	78%	0.784	S	S	*	*			trans	-82.5	117	174.1	-60.4	172.7	0	0	0	108.7	C217 L221	C217-I219 PolarHBondContact O-N 2.97Å; I219-L221 HydrophobicContact CG2-CG 4.38Å; I219-L221 PolarHBondContact O-N 3.19Å
220	Q	21.4	Very low	23.8	Very low	189 Å²	189	136.6 Å²	136.6	88%	0.883	79%	0.785	S	S	*	*			trans	-81.8	92.5	-175.5	-156	174.5	19.1	0	0	109.8	P218	P218-Q220 PolarHBondContact O-N 2.79Å
221	L	24.8	Very low	23.7	Very low	163 Å²	163	137 Å²	137	85%	0.853	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-89.4	124	177.8	-79.6	163.8	0	0	0	111.3	I219	I219-L221 HydrophobicContact CG2-CG 4.38Å; I219-L221 PolarHBondContact O-N 3.19Å
222	K	21.7	Very low	23.7	Very low	203 Å²	203	132 Å²	132	88%	0.883	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-66.4	138.9	-172.3	-73.9	177.1	175.3	175.9	0	113.1
223	S	25.5	Very low	23.8	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-52.9	142.8	168.7	54.3	0	0	0	0	115.4
224	K	22.6	Very low	23.9	Very low	201 Å²	201	139.9 Å²	139.9	87%	0.874	80%	0.802	S	S	*	*			trans	162.3	134.5	148.6	-97.3	174.4	-177.4	-172.7	0	106.4
225	V	24.2	Very low	24	Very low	128 Å²	128	138 Å²	138	78%	0.776	81%	0.806	S	S	*	*			cis	-151.2	148.8	27.4	173.7	0	0	0	0	109.7
226	S	23	Very low	23.9	Very low	110 Å²	110	141.8 Å²	141.8	77%	0.769	81%	0.813	S	S	*	*			trans	-47.9	147.7	172.8	48.7	0	0	0	0	118.3
227	G	23.3	Very low	23.7	Very low	77 Å²	77	141.4 Å²	141.4	79%	0.794	81%	0.814	S	S	*	*			trans	-162.1	88.9	159.8	0	0	0	0	0	108.9
228	E	23.8	Very low	23.7	Very low	176 Å²	176	148 Å²	148	82%	0.822	82%	0.824	S	S	*	*			trans	-68.8	131.2	-178.8	-69.7	178.6	155.7	0	0	111.4
229	P	24.3	Very low	23.6	Very low	125 Å²	125	148.1 Å²	148.1	81%	0.812	82%	0.822	S	S	*	*			trans	-88.9	113.6	171.7	31.7	-26	0	0	0	109.6	S231	P229-S231 PolarHBondContact O-N 3.38Å
230	N	25.2	Very low	23.6	Very low	154 Å²	154	147.8 Å²	147.8	82%	0.824	83%	0.827	S	S	*	*			trans	-58.1	127.5	177.1	-79.1	-29.5	0	0	0	112.4
231	S	24.6	Very low	23.6	Very low	117 Å²	117	144.5 Å²	144.5	82%	0.818	82%	0.819	S	S	*	*			trans	-58	136.9	166.7	49.8	0	0	0	0	112.8	P229	P229-S231 PolarHBondContact O-N 3.38Å
232	G	24.9	Very low	23.4	Very low	61 Å²	61	146 Å²	146	63%	0.629	82%	0.822	S	S	*	*			trans	-159.6	78.1	174	0	0	0	0	0	112.1
233	L	25	Very low	23.6	Very low	179 Å²	179	141.5 Å²	141.5	94%	0.937	82%	0.816	S	S	*	*			trans	30.5	97.5	143.2	-70	136.7	0	0	0	118.2
234	F	24.9	Very low	23.6	Very low	216 Å²	216	143.3 Å²	143.3	95%	0.947	82%	0.818	S	S	*	*			trans	-90.8	115.7	154.3	-91.1	-87.4	0	0	0	109
235	G	24.7	Very low	23.6	Very low	73 Å²	73	140.4 Å²	140.4	75%	0.753	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-65.9	143.5	-176.2	0	0	0	0	0	114.4
236	E	21.9	Very low	23.5	Very low	188 Å²	188	141 Å²	141	88%	0.879	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-65.7	135.2	179	-63.6	179.3	149.5	0	0	112.3
237	P	23.4	Very low	23.8	Very low	124 Å²	124	142.9 Å²	142.9	81%	0.805	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81	131.1	178.5	30.5	-30.4	0	0	0	111.6
238	R	21.4	Very low	23.7	Very low	243 Å²	243	144.8 Å²	144.8	92%	0.917	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-59.3	132.7	179.5	-76.5	176.3	172.3	163	-3.2	112.6
239	V	22.7	Very low	23.8	Very low	128 Å²	128	141.2 Å²	141.2	78%	0.776	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-73.4	116.2	171.1	177.8	0	0	0	0	108.6	T241	V239-T241 HydrophobicContact CG1-CG2 4.23Å
240	V	21.8	Very low	24	Very low	142 Å²	142	144.4 Å²	144.4	86%	0.861	82%	0.816	S	S	*	*			trans	-100.6	114.5	166.5	179.3	0	0	0	0	107.1
241	T	22.3	Very low	23.9	Very low	119 Å²	119	141 Å²	141	73%	0.73	82%	0.817	S	S	*	*			trans	-76.9	148.5	-174.5	42.8	0	0	0	0	112.5	V239	V239-T241 HydrophobicContact CG1-CG2 4.23Å
242	E	21.1	Very low	24	Very low	194 Å²	194	142.1 Å²	142.1	91%	0.907	82%	0.819	S	S	*	*			trans	-55.5	146.7	176.6	-62.3	165.5	155.6	0	0	113.6
243	S	25.6	Very low	24.1	Very low	109 Å²	109	148.6 Å²	148.6	76%	0.762	83%	0.83	S	S	*	*			trans	-149.4	104.3	154.4	63.1	0	0	0	0	110.8
244	N	24	Very low	24.1	Very low	146 Å²	146	150.8 Å²	150.8	78%	0.781	83%	0.826	S	S	*	*			trans	43.9	111.5	136.1	-62	-8.4	0	0	0	120.5
245	D	22.7	Very low	24.4	Very low	139 Å²	139	149.1 Å²	149.1	74%	0.743	82%	0.821	S	S	*	*				46.3	131	114	-70.8	-8.6	0	0	0	121.7
246	N	23.7	Very low	24.7	Very low	140 Å²	140	152.1 Å²	152.1	75%	0.749	82%	0.819	S	S	*	*			trans	76.8	106.6	149.7	-59.7	-27.4	0	0	0	117.7
247	T	29.1	Very low	25.3	Very low	150 Å²	150	149.5 Å²	149.5	92%	0.92	81%	0.811	S	S	*	*				-169.7	143.4	115.9	32.6	0	0	0	0	111.5
248	C	21	Very low	26.2	Very low	118 Å²	118	148.3 Å²	148.3	80%	0.797	81%	0.805	S	S	*	*			trans	-82	157	-172.7	-153	0	0	0	0	111.8
249	S	25.1	Very low	27.1	Very low	100 Å²	100	140.3 Å²	140.3	70%	0.699	79%	0.787	S	S	*	*			trans	58.8	104.4	148.4	63.8	0	0	0	0	119.5
250	Q	28.5	Very low	28.1	Very low	192 Å²	192	139.6 Å²	139.6	90%	0.897	78%	0.778	S	S	*	*			trans	-135.8	117.2	131	-75.4	-160.6	-8.3	0	0	109.6	T252	Q250-T252 PolarHBondContact O-N 3.18Å
251	G	24	Very low	29.1	Very low	83 Å²	83	137.7 Å²	137.7	86%	0.856	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-71.9	120.2	178.3	0	0	0	0	0	110.9
252	T	27	Very low	29.9	Very low	140 Å²	140	140.5 Å²	140.5	86%	0.859	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-98.1	123.3	168.3	43.4	0	0	0	0	109.2	Q250	Q250-T252 PolarHBondContact O-N 3.18Å
253	K	25.8	Very low	31	Very low	198 Å²	198	136.2 Å²	136.2	86%	0.861	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-59.1	136.8	-172.9	-73.7	172.1	173.8	174.6	0	111.6	H255	K253-H255 PolarHBondContact O-N 3.03Å
254	R	24.9	Very low	32.1	Very low	224 Å²	224	135.2 Å²	135.2	85%	0.845	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-57.9	125.2	170	-63.2	174.2	-179.7	170.8	-0.8	110.2	L256	R254-L256 HydrophobicContact CB-CD1 4.12Å
255	H	31.4	Very low	33.3	Very low	182 Å²	182	133.6 Å²	133.6	84%	0.843	72%	0.721	S	S	*	*			trans	-101.2	112.1	151.7	-96.7	-86.8	0	0	0	107.3	K253 D257	K253-H255 PolarHBondContact O-N 3.03Å; H255-D257 PolarHBondContact O-N 3.07Å
256	L	30.6	Very low	34.3	Very low	135 Å²	135	130 Å²	130	71%	0.707	70%	0.701	S	S	*	*			trans	-78.1	101.5	176.8	-105.2	77.1	0	0	0	108.7	R254	R254-L256 HydrophobicContact CB-CD1 4.12Å
257	D	34.6	Very low	35.3	Very low	134 Å²	134	128.1 Å²	128.1	72%	0.717	69%	0.688	S	S	*	*			trans	-112.2	95	160.2	-77.4	-30.1	0	0	0	108.3	H255 S259	H255-D257 PolarHBondContact O-N 3.07Å; D257-S259 PolarHBondContact O-N 2.96Å
258	S	43.5	Very low	36.4	Very low	98 Å²	98	127.5 Å²	127.5	69%	0.685	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	15.7	-152.3	57.8	0	0	0	0	117.3
259	S	40.7	Very low	37.2	Very low	75 Å²	75	124.4 Å²	124.4	52%	0.524	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.7	-52.1	178.9	160.9	0	0	0	0	112.5	D257 W262	D257-S259 PolarHBondContact O-N 2.96Å; S259-W262 PolarHBondContact O-N 3.45Å
260	D	43	Very low	38	Very low	113 Å²	113	127 Å²	127	60%	0.604	65%	0.647	S	S	*	*	H	α-helix	trans	-81.5	-27.6	-167.5	-66.3	-11.5	0	0	0	112.3	W262 N263 N264	D260-W262 VanDerWaalsContact C-N 3.26Å; D260-W262 PolarHBondContact O-N 2.95Å; D260-N263 PolarHBondContact O-N 3.42Å; D260-N264 WeakPolarHBondContact O-CB 3.22Å; D260-N264 PolarHBondContact O-N 3.47Å
261	D	42.2	Very low	38.8	Very low	103 Å²	103	121.7 Å²	121.7	55%	0.551	62%	0.624	S	S	*	*	H	α-helix	trans	-63.3	-34	172.5	-95.4	-11	0	0	0	112	L265	D261-L265 VanDerWaalsContact O-CB 3.23Å; D261-L265 WeakPolarHBondContact O-CB 3.29Å; D261-L265 WeakPolarHBondContact O-CD1 3.12Å; D261-L265 VanDerWaalsContact O-CG 3.32Å; D261-L265 WeakPolarHBondContact O-CG 3.11Å; D261-L265 PolarHBondContact O-N 2.77Å
262	W	38.5	Very low	39.7	Very low	177 Å²	177	121.1 Å²	121.1	67%	0.67	61%	0.608	S	S	*	*	H	α-helix	trans	-70.3	-43.6	178.8	-117.4	91.3	0	0	0	111.6	S259 D260 L265 I266	S259-W262 PolarHBondContact O-N 3.45Å; D260-W262 VanDerWaalsContact C-N 3.26Å; D260-W262 PolarHBondContact O-N 2.95Å; W262-L265 PolarHBondContact O-N 3.16Å; W262-I266 HydrophobicContact CE3-CD1 3.51Å; W262-I266 HydrophobicContact CE3-CG1 3.78Å; W262-I266 HydrophobicContact CZ3-CD1 3.81Å; W262-I266 HydrophobicContact CZ3-CG1 3.97Å; W262-I266 WeakPolarHBondContact O-CB 3.28Å; W262-I266 VanDerWaalsContact O-CG1 3.28Å; W262-I266 WeakPolarHBondContact O-CG1 3.24Å; W262-I266 PolarHBondContact O-N 3.28Å
263	N	45.3	Very low	40.1	Very low	104 Å²	104	118.4 Å²	118.4	56%	0.556	59%	0.587	S	S	*	*	H	α-helix	trans	-66.2	-38.8	175	-75.7	-32.3	0	0	0	111.8	D260 I266 Q267	D260-N263 PolarHBondContact O-N 3.42Å; N263-I266 PolarHBondContact O-N 3.07Å; N263-Q267 WeakPolarHBondContact O-CB 3.27Å; N263-Q267 PolarHBondContact O-N 2.74Å
264	N	48.9	Very low	40.7	Very low	88 Å²	88	111.3 Å²	111.3	47%	0.471	56%	0.562	S	S	.	*	H	α-helix	trans	-66	-37.6	173.6	-98.9	-36.8	0	0	0	112.7	D260 K268	D260-N264 WeakPolarHBondContact O-CB 3.22Å; D260-N264 PolarHBondContact O-N 3.47Å; N264-K268 VanDerWaalsContact O-CB 3.29Å; N264-K268 WeakPolarHBondContact O-CB 3.39Å; N264-K268 VanDerWaalsContact O-CG 3.26Å; N264-K268 WeakPolarHBondContact O-CG 3.5Å; N264-K268 PolarHBondContact O-N 3.41Å
265	L	49.2	Very low	41.7	Very low	112 Å²	112	107.3 Å²	107.3	59%	0.586	55%	0.548	S	S	*	.	H	α-helix	trans	-67.4	-44.4	174.3	-86	160.3	0	0	0	111.4	D261 W262 K268 S269	D261-L265 VanDerWaalsContact O-CB 3.23Å; D261-L265 WeakPolarHBondContact O-CB 3.29Å; D261-L265 WeakPolarHBondContact O-CD1 3.12Å; D261-L265 VanDerWaalsContact O-CG 3.32Å; D261-L265 WeakPolarHBondContact O-CG 3.11Å; D261-L265 PolarHBondContact O-N 2.77Å; W262-L265 PolarHBondContact O-N 3.16Å; L265-K268 PolarHBondContact O-N 3.44Å; L265-S269 VanDerWaalsContact O-CB 3.25Å; L265-S269 WeakPolarHBondContact O-CB 3.39Å; L265-S269 PolarHBondContact O-N 2.79Å; L265-S269 PolarHBondContact O-OG 2.83Å
266	I	42.8	Very low	41.9	Very low	64 Å²	64	104.1 Å²	104.1	33%	0.328	53%	0.534	S	S	.	.	H	α-helix	trans	-58.8	-50.1	173.9	-70.2	168.6	0	0	0	109.3	W262 N263 K268 S269 W270	W262-I266 HydrophobicContact CE3-CD1 3.51Å; W262-I266 HydrophobicContact CE3-CG1 3.78Å; W262-I266 HydrophobicContact CZ3-CD1 3.81Å; W262-I266 HydrophobicContact CZ3-CG1 3.97Å; W262-I266 WeakPolarHBondContact O-CB 3.28Å; W262-I266 VanDerWaalsContact O-CG1 3.28Å; W262-I266 WeakPolarHBondContact O-CG1 3.24Å; W262-I266 PolarHBondContact O-N 3.28Å; N263-I266 PolarHBondContact O-N 3.07Å; I266-K268 PolarHBondContact O-N 2.81Å; I266-S269 WeakPolarHBondContact CA-OG 3.39Å; I266-S269 PolarHBondContact O-N 3.4Å; I266-S269 PolarHBondContact O-OG 2.87Å; I266-W270 WeakPolarHBondContact O-CB 3.46Å; I266-W270 PolarHBondContact O-N 3.34Å
267	Q	45.3	Very low	42.1	Very low	100 Å²	100	101.5 Å²	101.5	47%	0.467	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-43.5	-178.9	-167.1	64.2	36.3	0	0	111.9	N263 S269 W270 D271	N263-Q267 WeakPolarHBondContact O-CB 3.27Å; N263-Q267 PolarHBondContact O-N 2.74Å; Q267-S269 VanDerWaalsContact C-N 3.32Å; Q267-S269 PolarHBondContact O-N 3.46Å; Q267-W270 PolarHBondContact O-N 3.39Å; Q267-D271 PolarHBondContact NE2-OD1 3.41Å; Q267-D271 WeakPolarHBondContact O-CB 3.48Å; Q267-D271 PolarHBondContact O-N 2.68Å
268	K	53.1	Low	42.1	Very low	138 Å²	138	101.9 Å²	101.9	60%	0.6	52%	0.515	S	S	*	.	H	α-helix	trans	-63.4	-37	174.7	-77.5	175.4	-178.6	173.1	0	112.5	N264 L265 I266 S272	N264-K268 VanDerWaalsContact O-CB 3.29Å; N264-K268 WeakPolarHBondContact O-CB 3.39Å; N264-K268 VanDerWaalsContact O-CG 3.26Å; N264-K268 WeakPolarHBondContact O-CG 3.5Å; N264-K268 PolarHBondContact O-N 3.41Å; L265-K268 PolarHBondContact O-N 3.44Å; I266-K268 PolarHBondContact O-N 2.81Å; K268-S272 WeakPolarHBondContact O-CB 3.25Å; K268-S272 PolarHBondContact O-N 2.83Å; K268-S272 PolarHBondContact O-OG 2.71Å
269	S	36.9	Very low	41.9	Very low	53 Å²	53	100 Å²	100	37%	0.371	50%	0.495	S	S	.	.	H	α-helix	trans	-68.1	-40.8	175.6	76.8	0	0	0	0	111.1	L265 I266 Q267 S272 I273	L265-S269 VanDerWaalsContact O-CB 3.25Å; L265-S269 WeakPolarHBondContact O-CB 3.39Å; L265-S269 PolarHBondContact O-N 2.79Å; L265-S269 PolarHBondContact O-OG 2.83Å; I266-S269 WeakPolarHBondContact CA-OG 3.39Å; I266-S269 PolarHBondContact O-N 3.4Å; I266-S269 PolarHBondContact O-OG 2.87Å; Q267-S269 VanDerWaalsContact C-N 3.32Å; Q267-S269 PolarHBondContact O-N 3.46Å; S269-S272 PolarHBondContact O-N 3.38Å; S269-I273 WeakPolarHBondContact O-CB 3.43Å; S269-I273 WeakPolarHBondContact O-CD1 3.34Å; S269-I273 WeakPolarHBondContact O-CG1 3.5Å; S269-I273 PolarHBondContact O-N 3.39Å
270	W	41.9	Very low	41.6	Very low	154 Å²	154	98.7 Å²	98.7	58%	0.583	49%	0.489	S	S	*	.	H	α-helix	trans	-69.9	-40.5	176.2	-101	106.3	0	0	0	112.7	I266 Q267 S272 I273 S274	I266-W270 WeakPolarHBondContact O-CB 3.46Å; I266-W270 PolarHBondContact O-N 3.34Å; Q267-W270 PolarHBondContact O-N 3.39Å; W270-S272 VanDerWaalsContact C-N 3.3Å; W270-S272 PolarHBondContact O-N 3.1Å; W270-I273 PolarHBondContact O-N 2.89Å; W270-S274 VanDerWaalsContact O-CB 3.26Å; W270-S274 WeakPolarHBondContact O-CB 3.34Å; W270-S274 PolarHBondContact O-N 3.46Å
271	D	45.7	Very low	41.1	Very low	80 Å²	80	101 Å²	101	43%	0.428	49%	0.49	S	S	.	.	H	α-helix	trans	-62.1	-41.7	173.9	-72	-13.6	0	0	0	110	Q267 S274 Y275	Q267-D271 PolarHBondContact NE2-OD1 3.41Å; Q267-D271 WeakPolarHBondContact O-CB 3.48Å; Q267-D271 PolarHBondContact O-N 2.68Å; D271-S274 PolarHBondContact O-OG 2.74Å; D271-Y275 WeakPolarHBondContact O-CB 3.36Å; D271-Y275 PolarHBondContact O-N 2.81Å
272	S	41.6	Very low	40.7	Very low	72 Å²	72	102.5 Å²	102.5	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-66.3	-44.4	174.5	-64	0	0	0	0	112.3	K268 S269 W270 Y275 E276	K268-S272 WeakPolarHBondContact O-CB 3.25Å; K268-S272 PolarHBondContact O-N 2.83Å; K268-S272 PolarHBondContact O-OG 2.71Å; S269-S272 PolarHBondContact O-N 3.38Å; W270-S272 VanDerWaalsContact C-N 3.3Å; W270-S272 PolarHBondContact O-N 3.1Å; S272-Y275 PolarHBondContact O-N 2.77Å; S272-E276 VanDerWaalsContact O-CB 3.3Å; S272-E276 WeakPolarHBondContact O-CB 3.49Å; S272-E276 WeakPolarHBondContact O-CG 3.49Å; S272-E276 PolarHBondContact O-N 3.38Å
273	I	37.3	Very low	40.2	Very low	82 Å²	82	100.9 Å²	100.9	42%	0.421	50%	0.496	S	S	.	.	H	α-helix	trans	-65.7	-42.1	177.2	-71.3	163.7	0	0	0	110.3	S269 W270 Y275 E276 I277	S269-I273 WeakPolarHBondContact O-CB 3.43Å; S269-I273 WeakPolarHBondContact O-CD1 3.34Å; S269-I273 WeakPolarHBondContact O-CG1 3.5Å; S269-I273 PolarHBondContact O-N 3.39Å; W270-I273 PolarHBondContact O-N 2.89Å; I273-Y275 VanDerWaalsContact C-N 3.32Å; I273-Y275 PolarHBondContact O-N 3.1Å; I273-E276 PolarHBondContact O-N 3.33Å; I273-I277 HydrophobicContact CG2-CD1 3.55Å; I273-I277 HydrophobicContact CG2-CG1 4.17Å; I273-I277 VanDerWaalsContact O-CB 3.26Å; I273-I277 WeakPolarHBondContact O-CB 3.28Å; I273-I277 WeakPolarHBondContact O-CG1 3.22Å; I273-I277 PolarHBondContact O-N 3.09Å
274	S	38.4	Very low	39.4	Very low	50 Å²	50	100.4 Å²	100.4	35%	0.35	49%	0.493	S	S	.	.	H	α-helix	trans	-66.8	-36.1	177.3	89.3	0	0	0	0	111.4	W270 D271 K278	W270-S274 VanDerWaalsContact O-CB 3.26Å; W270-S274 WeakPolarHBondContact O-CB 3.34Å; W270-S274 PolarHBondContact O-N 3.46Å; D271-S274 PolarHBondContact O-OG 2.74Å; S274-K278 VanDerWaalsContact O-CB 3.3Å; S274-K278 WeakPolarHBondContact O-CB 2.84Å; S274-K278 PolarHBondContact O-N 2.99Å
275	Y	44.5	Very low	38.1	Very low	140 Å²	140	103.7 Å²	103.7	55%	0.549	50%	0.503	S	S	.	.	H	α-helix	trans	-69.7	-42.6	174.6	-177.2	-98.8	0	0	0	111.6	D271 S272 I273 K278 Q279	D271-Y275 WeakPolarHBondContact O-CB 3.36Å; D271-Y275 PolarHBondContact O-N 2.81Å; S272-Y275 PolarHBondContact O-N 2.77Å; I273-Y275 VanDerWaalsContact C-N 3.32Å; I273-Y275 PolarHBondContact O-N 3.1Å; Y275-K278 PolarHBondContact O-N 2.79Å; Y275-Q279 HydrophobicContact CD1-CG 4.21Å; Y275-Q279 HydrophobicContact CE1-CG 3.84Å; Y275-Q279 VanDerWaalsContact CZ-NE2 3.3Å; Y275-Q279 VanDerWaalsContact O-CB 3.3Å; Y275-Q279 WeakPolarHBondContact O-CB 3.42Å; Y275-Q279 WeakPolarHBondContact O-CG 3.18Å; Y275-Q279 PolarHBondContact O-N 2.92Å; Y275-Q279 PolarHBondContact OH-NE2 3.13Å
276	E	35.8	Very low	37	Very low	114 Å²	114	103.2 Å²	103.2	53%	0.533	50%	0.5	S	S	.	.	H	α-helix	trans	-64.7	-40.7	173	-80.9	-73.8	154.2	0	0	111.5	S272 I273 Q279 A280	S272-E276 VanDerWaalsContact O-CB 3.3Å; S272-E276 WeakPolarHBondContact O-CB 3.49Å; S272-E276 WeakPolarHBondContact O-CG 3.49Å; S272-E276 PolarHBondContact O-N 3.38Å; I273-E276 PolarHBondContact O-N 3.33Å; E276-Q279 CarbonylContact O-C 3.53Å; E276-Q279 PolarHBondContact O-N 3.48Å; E276-A280 WeakPolarHBondContact O-CB 3.26Å; E276-A280 PolarHBondContact O-N 3.28Å
277	I	35.9	Very low	36	Very low	80 Å²	80	109.1 Å²	109.1	41%	0.41	52%	0.518	S	S	.	.	H	α-helix	trans	-65.9	-45.1	174.2	-71.9	169.3	0	0	0	109.8	I273 Q279 A280 Y281	I273-I277 HydrophobicContact CG2-CD1 3.55Å; I273-I277 HydrophobicContact CG2-CG1 4.17Å; I273-I277 VanDerWaalsContact O-CB 3.26Å; I273-I277 WeakPolarHBondContact O-CB 3.28Å; I273-I277 WeakPolarHBondContact O-CG1 3.22Å; I273-I277 PolarHBondContact O-N 3.09Å; I277-Q279 VanDerWaalsContact C-N 3.34Å; I277-Q279 PolarHBondContact O-N 3.36Å; I277-A280 PolarHBondContact O-N 3.33Å; I277-Y281 HydrophobicContact CG2-CD2 3.55Å; I277-Y281 HydrophobicContact CG2-CE2 3.67Å; I277-Y281 WeakPolarHBondContact O-CB 3.39Å; I277-Y281 VanDerWaalsContact O-CD2 3.29Å; I277-Y281 WeakPolarHBondContact O-CD2 3.41Å; I277-Y281 PolarHBondContact O-N 2.91Å
278	K	34.7	Very low	35.1	Very low	143 Å²	143	112.7 Å²	112.7	62%	0.622	53%	0.528	S	S	*	.	H	α-helix	trans	-62	-41.1	173	-89.9	179.6	176.5	169.5	0	111.7	S274 Y275 A280 N282	S274-K278 VanDerWaalsContact O-CB 3.3Å; S274-K278 WeakPolarHBondContact O-CB 2.84Å; S274-K278 PolarHBondContact O-N 2.99Å; Y275-K278 PolarHBondContact O-N 2.79Å; K278-A280 VanDerWaalsContact C-N 3.35Å; K278-N282 WeakPolarHBondContact O-CB 3.35Å; K278-N282 PolarHBondContact O-N 3.48Å; K278-N282 PolarHBondContact O-ND2 3.17Å
279	Q	38.9	Very low	33.6	Very low	57 Å²	57	108.6 Å²	108.6	27%	0.266	52%	0.52	S	S	.	.	H	α-helix	trans	-65.7	-38.8	174.1	-84.1	-136	18.5	0	0	111.2	Y275 E276 I277 N282 K283	Y275-Q279 HydrophobicContact CD1-CG 4.21Å; Y275-Q279 HydrophobicContact CE1-CG 3.84Å; Y275-Q279 VanDerWaalsContact CZ-NE2 3.3Å; Y275-Q279 VanDerWaalsContact O-CB 3.3Å; Y275-Q279 WeakPolarHBondContact O-CB 3.42Å; Y275-Q279 WeakPolarHBondContact O-CG 3.18Å; Y275-Q279 PolarHBondContact O-N 2.92Å; Y275-Q279 PolarHBondContact OH-NE2 3.13Å; E276-Q279 CarbonylContact O-C 3.53Å; E276-Q279 PolarHBondContact O-N 3.48Å; I277-Q279 VanDerWaalsContact C-N 3.34Å; I277-Q279 PolarHBondContact O-N 3.36Å; Q279-N282 CarbonylContact O-C 3.58Å; Q279-N282 PolarHBondContact O-N 3.23Å; Q279-K283 WeakPolarHBondContact O-CA 3.28Å; Q279-K283 WeakPolarHBondContact O-CB 3.32Å; Q279-K283 WeakPolarHBondContact O-CG 3.39Å; Q279-K283 PolarHBondContact O-N 3.26Å; Q279-K283 VanDerWaalsContact OE1-CE 3.23Å
280	A	32.8	Very low	33	Very low	48 Å²	48	111.6 Å²	111.6	40%	0.397	53%	0.532	S	S	.	.	H	α-helix	trans	-65.3	-49.9	176	0	0	0	0	0	109.6	E276 I277 K278 N282 K283 I284	E276-A280 WeakPolarHBondContact O-CB 3.26Å; E276-A280 PolarHBondContact O-N 3.28Å; I277-A280 PolarHBondContact O-N 3.33Å; K278-A280 VanDerWaalsContact C-N 3.35Å; A280-N282 VanDerWaalsContact C-N 3.32Å; A280-N282 PolarHBondContact O-N 3.49Å; A280-K283 CarbonylContact O-C 3.56Å; A280-K283 PolarHBondContact O-N 3.47Å; A280-K283 VanDerWaalsContact O-N 3.1Å; A280-I284 VanDerWaalsContact O-CG1 3.26Å; A280-I284 WeakPolarHBondContact O-CG1 3.22Å; A280-I284 PolarHBondContact O-N 2.95Å
281	Y	34	Very low	32.2	Very low	162 Å²	162	110.9 Å²	110.9	64%	0.635	54%	0.536	S	S	*	.	H	α-helix	trans	-61.5	-36.3	174.4	-86.3	-74	0	0	0	113	I277 I284	I277-Y281 HydrophobicContact CG2-CD2 3.55Å; I277-Y281 HydrophobicContact CG2-CE2 3.67Å; I277-Y281 WeakPolarHBondContact O-CB 3.39Å; I277-Y281 VanDerWaalsContact O-CD2 3.29Å; I277-Y281 WeakPolarHBondContact O-CD2 3.41Å; I277-Y281 PolarHBondContact O-N 2.91Å; Y281-I284 HydrophobicContact CD1-CD1 4.15Å
282	N	32.7	Very low	31.2	Very low	135 Å²	135	114.1 Å²	114.1	72%	0.722	55%	0.547	S	S	*	.	H	α-helix	trans	-74.7	-29.4	173.5	-75.4	-17.8	0	0	0	112.9	K278 Q279 A280	K278-N282 WeakPolarHBondContact O-CB 3.35Å; K278-N282 PolarHBondContact O-N 3.48Å; K278-N282 PolarHBondContact O-ND2 3.17Å; Q279-N282 CarbonylContact O-C 3.58Å; Q279-N282 PolarHBondContact O-N 3.23Å; A280-N282 VanDerWaalsContact C-N 3.32Å; A280-N282 PolarHBondContact O-N 3.49Å
283	K	29.6	Very low	30.3	Very low	142 Å²	142	118.2 Å²	118.2	62%	0.617	56%	0.558	S	S	*	*	H	α-helix	trans	-80.9	-23.7	175.6	-79.8	173.6	-175.5	168.2	0	112.1	Q279 A280 K285	Q279-K283 WeakPolarHBondContact O-CA 3.28Å; Q279-K283 WeakPolarHBondContact O-CB 3.32Å; Q279-K283 WeakPolarHBondContact O-CG 3.39Å; Q279-K283 PolarHBondContact O-N 3.26Å; Q279-K283 VanDerWaalsContact OE1-CE 3.23Å; A280-K283 CarbonylContact O-C 3.56Å; A280-K283 PolarHBondContact O-N 3.47Å; A280-K283 VanDerWaalsContact O-N 3.1Å; K283-K285 PolarHBondContact O-N 3.36Å
284	I	26.8	Very low	29.6	Very low	95 Å²	95	123.6 Å²	123.6	49%	0.487	57%	0.573	S	S	.	*	S	Bend	trans	-62.1	90.7	159.3	-61.7	167.7	0	0	0	104	A280 Y281 I286	A280-I284 VanDerWaalsContact O-CG1 3.26Å; A280-I284 WeakPolarHBondContact O-CG1 3.22Å; A280-I284 PolarHBondContact O-N 2.95Å; Y281-I284 HydrophobicContact CD1-CD1 4.15Å; I284-I286 HydrophobicContact CB-CG1 4.46Å; I284-I286 HydrophobicContact CG2-CD1 4.17Å; I284-I286 HydrophobicContact CG2-CG1 3.52Å; I284-I286 PolarHBondContact O-N 3.28Å
285	K	23	Very low	28.9	Very low	157 Å²	157	128.6 Å²	128.6	68%	0.683	60%	0.596	S	S	*	*			trans	-64.4	77.3	169.4	-98.3	179.8	173.3	168.5	0	106.6	K283 R287	K283-K285 PolarHBondContact O-N 3.36Å; K285-R287 HydrophobicContact CB-CG 4.49Å; K285-R287 PolarHBondContact O-N 2.92Å
286	I	26	Very low	27.9	Very low	101 Å²	101	128.3 Å²	128.3	52%	0.518	60%	0.603	S	S	.	*			trans	-72.1	80.4	158.3	-44.8	-179.4	0	0	0	104	I284 Y288	I284-I286 HydrophobicContact CB-CG1 4.46Å; I284-I286 HydrophobicContact CG2-CD1 4.17Å; I284-I286 HydrophobicContact CG2-CG1 3.52Å; I284-I286 PolarHBondContact O-N 3.28Å; I286-Y288 HydrophobicContact CB-CD2 4.35Å; I286-Y288 HydrophobicContact CB-CE2 4.04Å; I286-Y288 HydrophobicContact CG2-CD2 3.72Å; I286-Y288 HydrophobicContact CG2-CE1 4.46Å; I286-Y288 HydrophobicContact CG2-CE2 3.22Å; I286-Y288 PolarHBondContact O-N 3.47Å
287	R	21.4	Very low	27.5	Very low	188 Å²	188	133.4 Å²	133.4	71%	0.709	62%	0.618	S	S	*	*			trans	-73.9	82.9	175.1	-96	-172.4	169.7	-178.9	-3	106.7	K285 A289	K285-R287 HydrophobicContact CB-CG 4.49Å; K285-R287 PolarHBondContact O-N 2.92Å; R287-A289 PolarHBondContact O-N 3.41Å
288	Y	26.2	Very low	27.5	Very low	175 Å²	175	133.9 Å²	133.9	69%	0.686	63%	0.628	S	S	*	*			trans	-60.7	107.8	155.9	-68.8	-79	0	0	0	106.6	I286 L290	I286-Y288 HydrophobicContact CB-CD2 4.35Å; I286-Y288 HydrophobicContact CB-CE2 4.04Å; I286-Y288 HydrophobicContact CG2-CD2 3.72Å; I286-Y288 HydrophobicContact CG2-CE1 4.46Å; I286-Y288 HydrophobicContact CG2-CE2 3.22Å; I286-Y288 PolarHBondContact O-N 3.47Å; Y288-L290 VanDerWaalsContact C-N 3.29Å; Y288-L290 PolarHBondContact O-N 3.41Å
289	A	21.5	Very low	28	Very low	53 Å²	53	129 Å²	129	44%	0.438	62%	0.618	S	S	.	*			trans	-68.2	101	160.9	0	0	0	0	0	106	R287 M291 V696	R287-A289 PolarHBondContact O-N 3.41Å; A289-M291 PolarHBondContact O-N 3.34Å; A289-V696 HydrophobicContact CB-CB 4.09Å; A289-V696 HydrophobicContact CB-CG2 3.29Å
290	L	23.8	Very low	28.6	Very low	116 Å²	116	129.7 Å²	129.7	61%	0.607	63%	0.627	S	S	*	*			trans	-59.1	92.8	166.5	-118.2	126.3	0	0	0	106.6	Y288 F292 E293	Y288-L290 VanDerWaalsContact C-N 3.29Å; Y288-L290 PolarHBondContact O-N 3.41Å; L290-F292 PolarHBondContact O-N 2.86Å; L290-E293 HydrophobicContact CD2-CB 3.49Å; L290-E293 VanDerWaalsContact CD2-CB 3.49Å; L290-E293 HydrophobicContact CD2-CG 3.37Å; L290-E293 WeakPolarHBondContact CD2-OE1 3.36Å
291	M	25.3	Very low	29.9	Very low	138 Å²	138	128.8 Å²	128.8	68%	0.68	62%	0.615	S	S	*	*	S	Bend	trans	-71	68.5	177.1	-83.7	-178.7	58	0	0	109.5	A289	A289-M291 PolarHBondContact O-N 3.34Å
292	F	25.4	Very low	31.2	Very low	148 Å²	148	123.4 Å²	123.4	65%	0.649	60%	0.601	S	S	*	*			trans	80.6	89.4	178	-48.5	-81.1	0	0	0	114.5	L290 R294	L290-F292 PolarHBondContact O-N 2.86Å; F292-R294 PolarHBondContact O-N 3.32Å
293	E	22.4	Very low	32.9	Very low	158 Å²	158	120.4 Å²	120.4	74%	0.738	58%	0.584	S	S	*	*			trans	-67.9	73.7	148.8	-127.5	174.2	-139.1	0	0	108	L290	L290-E293 HydrophobicContact CD2-CB 3.49Å; L290-E293 VanDerWaalsContact CD2-CB 3.49Å; L290-E293 HydrophobicContact CD2-CG 3.37Å; L290-E293 WeakPolarHBondContact CD2-OE1 3.36Å
294	R	22	Very low	34.6	Very low	196 Å²	196	118.5 Å²	118.5	74%	0.74	57%	0.574	S	S	*	*			trans	-88	122.9	148.1	-72.7	-173.3	175.8	-177.8	0.1	103.7	F292 I296	F292-R294 PolarHBondContact O-N 3.32Å; R294-I296 HydrophobicContact CB-CG1 3.86Å; R294-I296 WeakPolarHBondContact O-CG1 3.5Å; R294-I296 PolarHBondContact O-N 3.42Å
295	N	23.8	Very low	36.9	Very low	155 Å²	155	118 Å²	118	83%	0.829	57%	0.574	S	S	*	*			trans	-59.7	79	157.3	-77.3	-34.4	0	0	0	105.9	Y297	N295-Y297 PolarHBondContact O-N 2.85Å
296	I	25.3	Very low	39.1	Very low	134 Å²	134	112.6 Å²	112.6	69%	0.687	55%	0.553	S	S	*	*			trans	-65.4	107.3	178.5	-67.3	165.9	0	0	0	103.1	R294 C298	R294-I296 HydrophobicContact CB-CG1 3.86Å; R294-I296 WeakPolarHBondContact O-CG1 3.5Å; R294-I296 PolarHBondContact O-N 3.42Å; I296-C298 PolarHBondContact O-N 3.31Å
297	Y	27.2	Very low	41.3	Very low	221 Å²	221	109.5 Å²	109.5	87%	0.867	54%	0.537	S	S	*	.			trans	-34.1	133	171.3	-71.8	-93.6	0	0	0	109.9	N295 G299	N295-Y297 PolarHBondContact O-N 2.85Å; Y297-G299 PolarHBondContact O-N 2.96Å
298	C	35.7	Very low	43.8	Very low	89 Å²	89	105.4 Å²	105.4	60%	0.601	53%	0.526	S	S	*	.	S	Bend	trans	-35.7	111	-178.6	-55.2	0	0	0	0	113	I296 F301	I296-C298 PolarHBondContact O-N 3.31Å; C298-F301 HydrophobicContact CB-CE1 4.06Å; C298-F301 HydrophobicContact CB-CZ 3.96Å
299	G	44.4	Very low	45.8	Very low	40 Å²	40	97.7 Å²	97.7	41%	0.412	50%	0.496	S	S	.	.			trans	139.4	110.2	163.4	0	0	0	0	0	112.2	Y297	Y297-G299 PolarHBondContact O-N 2.96Å
300	P	52.6	Low	47.8	Very low	73 Å²	73	100.9 Å²	100.9	47%	0.474	50%	0.501	S	S	.	.	S	Bend		-120.9	67.2	88.1	37	-33.6	0	0	0	110.6
301	F	58.1	Low	49.5	Very low	29 Å²	29	100.2 Å²	100.2	13%	0.127	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.9	168.8	63.2	-90.3	0	0	0	108.5	C298 I303 L653 L683 N684 F685	C298-F301 HydrophobicContact CB-CE1 4.06Å; C298-F301 HydrophobicContact CB-CZ 3.96Å; F301-I303 HydrophobicContact CD2-CD1 4.47Å; F301-I303 HydrophobicContact CD2-CG1 3.92Å; F301-I303 HydrophobicContact CE2-CD1 3.82Å; F301-I303 HydrophobicContact CE2-CG1 3.78Å; F301-L653 HydrophobicContact CE1-CD2 4.03Å; F301-L653 HydrophobicContact CZ-CD2 4.26Å; F301-L683 HydrophobicContact CD2-CB 4.43Å; F301-L683 HydrophobicContact CD2-CD2 4.11Å; F301-L683 HydrophobicContact CE2-CD2 4.05Å; F301-N684 CarbonylContact C-O 3.49Å; F301-N684 WeakPolarHBondContact CA-O 3.1Å; F301-N684 WeakPolarHBondContact CB-O 3.21Å; F301-F685 HydrophobicContact CB-CD1 3.73Å; F301-F685 HydrophobicContact CB-CE1 3.93Å; F301-F685 HydrophobicContact CB-CG 4.42Å; F301-F685 HydrophobicContact CD1-CE1 4.31Å; F301-F685 HydrophobicContact CG-CD1 4.38Å; F301-F685 HydrophobicContact CG-CE1 4.12Å
302	S	62.1	Low	51.2	Low	49 Å²	49	101.1 Å²	101.1	34%	0.343	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.7	176	52.1	0	0	0	0	109.3	Y304 N684	S302-Y304 VanDerWaalsContact OG-CE2 3.24Å; S302-Y304 WeakPolarHBondContact OG-CE2 3.38Å; S302-N684 PolarHBondContact N-O 2.8Å; S302-N684 PolarHBondContact O-N 3.12Å
303	I	68.2	Low	52.8	Low	71 Å²	71	97.6 Å²	97.6	36%	0.364	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.7	177.2	-49.7	-172.3	0	0	0	108.5	F301 L681 L683	F301-I303 HydrophobicContact CD2-CD1 4.47Å; F301-I303 HydrophobicContact CD2-CG1 3.92Å; F301-I303 HydrophobicContact CE2-CD1 3.82Å; F301-I303 HydrophobicContact CE2-CG1 3.78Å; I303-L681 HydrophobicContact CG2-CD2 4.32Å; I303-L683 HydrophobicContact CB-CD2 4.07Å; I303-L683 HydrophobicContact CD1-CD2 3.89Å; I303-L683 HydrophobicContact CG1-CD2 3.55Å; I303-L683 HydrophobicContact CG2-CD2 3.83Å
304	Y	66.5	Low	54.1	Low	103 Å²	103	92.7 Å²	92.7	40%	0.404	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.8	171.2	-66.2	-87.4	0	0	0	109.9	S302 L306 M349 L681 A682 N684	S302-Y304 VanDerWaalsContact OG-CE2 3.24Å; S302-Y304 WeakPolarHBondContact OG-CE2 3.38Å; Y304-L306 PolarHBondContact O-N 2.84Å; Y304-M349 HydrophobicContact CE2-CE 4.03Å; Y304-M349 HydrophobicContact CE2-SD 4.35Å; Y304-L681 CarbonylContact O-C 3.53Å; Y304-L681 WeakPolarHBondContact O-CA 3.42Å; Y304-A682 PolarHBondContact N-O 3.41Å; Y304-A682 PolarHBondContact O-N 3.19Å; Y304-N684 VanDerWaalsContact CD2-ND2 3.27Å; Y304-N684 WeakPolarHBondContact CD2-ND2 3.18Å; Y304-N684 HydrophobicContact CE2-CB 4.45Å; Y304-N684 WeakPolarHBondContact CE2-ND2 3.45Å
305	V	73.4	Confident	55.5	Low	83 Å²	83	88.6 Å²	88.6	50%	0.503	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	107.7	171	-174.5	0	0	0	0	107.6	E308 L681	V305-E308 HydrophobicContact CG1-CB 3.9Å; V305-L681 HydrophobicContact CB-CD2 4.13Å; V305-L681 HydrophobicContact CG1-CD2 4.18Å; V305-L681 HydrophobicContact CG2-CD2 3.7Å
306	L	70	Confident	57	Low	45 Å²	45	81.8 Å²	81.8	24%	0.236	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-34.9	178	-61	178.6	0	0	0	111.3	Y304 I347 I673 I680 A682	Y304-L306 PolarHBondContact O-N 2.84Å; L306-I347 HydrophobicContact CD1-CG1 4.37Å; L306-I347 HydrophobicContact CD1-CG2 3.56Å; L306-I347 HydrophobicContact CD2-CG2 3.86Å; L306-I347 HydrophobicContact CG-CG2 4.37Å; L306-I673 HydrophobicContact CD1-CD1 4.18Å; L306-I680 HydrophobicContact CB-CB 4.34Å; L306-I680 HydrophobicContact CB-CG2 4.26Å; L306-I680 HydrophobicContact CD1-CG2 4.05Å; L306-I680 PolarHBondContact N-O 2.81Å; L306-A682 HydrophobicContact CD1-CB 4Å; L306-A682 HydrophobicContact CD2-CB 4.27Å; L306-A682 HydrophobicContact CG-CB 4.09Å
307	L	72.2	Confident	58.4	Low	36 Å²	36	85 Å²	85	19%	0.188	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	128.4	177.9	-172	145.7	0	0	0	109.6	R309 I345 N679 I680	L307-R309 HydrophobicContact CD2-CG 4.01Å; L307-I345 HydrophobicContact CB-CD1 4.21Å; L307-I345 HydrophobicContact CD1-CD1 3.62Å; L307-N679 CarbonylContact O-C 3.49Å; L307-N679 VanDerWaalsContact O-CA 3.27Å; L307-N679 WeakPolarHBondContact O-CA 3.32Å; L307-I680 HydrophobicContact CB-CB 4.17Å; L307-I680 HydrophobicContact CB-CD1 4.05Å; L307-I680 HydrophobicContact CB-CG1 4.17Å; L307-I680 PolarHBondContact N-O 2.8Å; L307-I680 PolarHBondContact O-N 2.89Å
308	E	74.3	Confident	60	Low	101 Å²	101	80 Å²	80	47%	0.472	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.5	172	175.6	160.1	-144.4	0	0	109.2	V305 R658 N679	V305-E308 HydrophobicContact CG1-CB 3.9Å; E308-R658 IonicContact OE1-NH1 3.69Å; E308-N679 WeakPolarHBondContact CG-OD1 3.45Å
309	R	67.5	Low	61.7	Low	14 Å²	14	76.3 Å²	76.3	5%	0.053	40%	0.398	C	S	.	.			trans	-95.7	136.3	173.4	-77	-160.8	140	167.8	-8.4	111.8	L307 P314 E334 H678	L307-R309 HydrophobicContact CD2-CG 4.01Å; R309-P314 PolarHBondContact NH1-O 3.06Å; R309-P314 PolarHBondContact NH2-O 2.68Å; R309-E334 IonicContact CZ-OE1 3.3Å; R309-E334 IonicContact NE-OE1 3.91Å; R309-E334 IonicContact NH2-OE1 2.88Å; R309-E334 PolarHBondContact NH2-OE1 3.32Å; R309-H678 WeakPolarHBondContact CB-O 3.28Å; R309-H678 PolarHBondContact N-O 2.94Å
310	Q	64.6	Low	63.1	Low	119 Å²	119	75.1 Å²	75.1	56%	0.556	38%	0.383	S	S	*	.			trans	-70.9	143.5	165.6	-60.8	-59.8	-28.2	0	0	110.1	N312 Q313	Q310-N312 PolarHBondContact O-N 3.25Å; Q310-N312 VanDerWaalsContact O-N 3.11Å; Q310-Q313 HydrophobicContact CB-CG 4.11Å; Q310-Q313 WeakPolarHBondContact O-CB 3.47Å; Q310-Q313 PolarHBondContact O-N 3.12Å
311	P	59.8	Low	64.5	Low	102 Å²	102	72.4 Å²	72.4	66%	0.662	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-27.2	-179.2	19.6	-30.4	0	0	0	113.5
312	N	60.1	Low	65.6	Low	157 Å²	157	72.3 Å²	72.3	84%	0.84	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-4.2	-179.4	-61.5	-2.2	0	0	0	113.8	Q310	Q310-N312 PolarHBondContact O-N 3.25Å; Q310-N312 VanDerWaalsContact O-N 3.11Å
313	Q	58.6	Low	66	Low	74 Å²	74	70 Å²	70	35%	0.346	35%	0.347	S	S	.	.	S	Bend	trans	-72.7	144.2	178.6	-78.4	175.7	2.6	0	0	111.2	Q310 L315	Q310-Q313 HydrophobicContact CB-CG 4.11Å; Q310-Q313 WeakPolarHBondContact O-CB 3.47Å; Q310-Q313 PolarHBondContact O-N 3.12Å; Q313-L315 PolarHBondContact O-N 2.91Å; Q313-L315 VanDerWaalsContact O-N 3.1Å
314	P	50.7	Low	66	Low	55 Å²	55	67 Å²	67	36%	0.357	33%	0.332	S	S	.	.			trans	-57.9	119.8	179.7	21.5	-31.3	0	0	0	111.6	R309 C316 R336	R309-P314 PolarHBondContact NH1-O 3.06Å; R309-P314 PolarHBondContact NH2-O 2.68Å; P314-C316 PolarHBondContact O-N 3.17Å; P314-R336 HydrophobicContact CB-CG 3.63Å; P314-R336 HydrophobicContact CG-CG 4.11Å
315	L	50.9	Low	65.8	Low	110 Å²	110	69.4 Å²	69.4	58%	0.576	35%	0.345	S	S	*	.			trans	-74.9	107	-179.5	-72	158.6	0	0	0	110.2	Q313 K317	Q313-L315 PolarHBondContact O-N 2.91Å; Q313-L315 VanDerWaalsContact O-N 3.1Å; L315-K317 PolarHBondContact O-N 2.86Å; L315-K317 VanDerWaalsContact O-N 3.16Å
316	C	54.9	Low	65.2	Low	12 Å²	12	74.1 Å²	74.1	8%	0.081	35%	0.354	C	S	.	.			trans	-71	103.1	148.8	-170.7	0	0	0	0	105.9	P314 R318 R319 R340	P314-C316 PolarHBondContact O-N 3.17Å; C316-R318 PolarHBondContact O-N 3.26Å; C316-R319 PolarHBondContact O-N 3.48Å; C316-R340 PolarHBondContact SG-NH1 3.09Å
317	K	54.2	Low	64.7	Low	201 Å²	201	72.3 Å²	72.3	87%	0.874	34%	0.344	S	S	*	.	S	Bend	trans	-48	-24.8	-174.7	-74.8	-173.6	176.4	-178.6	0	113.9	L315	L315-K317 PolarHBondContact O-N 2.86Å; L315-K317 VanDerWaalsContact O-N 3.16Å
318	R	60.5	Low	64.5	Low	118 Å²	118	75.1 Å²	75.1	45%	0.445	36%	0.357	S	S	.	.	S	Bend	trans	-137.4	86.4	176.2	-68.8	-179.5	175.3	161.8	-3.6	109.2	C316 V320 Y410	C316-R318 PolarHBondContact O-N 3.26Å; R318-V320 PolarHBondContact O-N 2.79Å; R318-Y410 PolarHBondContact NH1-OH 3.13Å
319	R	72.9	Confident	64.2	Low	10 Å²	10	70.7 Å²	70.7	4%	0.038	34%	0.336	C	S	.	.			trans	-60.1	127.2	164.3	176.3	-176.2	-72	162.2	-9.9	108.5	C316 I321 N675	C316-R319 PolarHBondContact O-N 3.48Å; R319-I321 HydrophobicContact CG-CG2 4.1Å; R319-N675 WeakPolarHBondContact CD-OD1 3.43Å; R319-N675 PolarHBondContact O-ND2 2.95Å; R319-N675 VanDerWaalsContact O-ND2 3.1Å
320	V	73.6	Confident	64.7	Low	16 Å²	16	70 Å²	70	10%	0.097	33%	0.333	C	S	.	.			trans	-106.8	132.7	175.6	-174.1	0	0	0	0	107	R318 H332 C333 I393 K394 L396	R318-V320 PolarHBondContact O-N 2.79Å; V320-H332 VanDerWaalsContact O-CA 3.31Å; V320-H332 WeakPolarHBondContact O-CA 3.39Å; V320-C333 PolarHBondContact N-SG 3.22Å; V320-C333 PolarHBondContact O-N 3.49Å; V320-I393 WeakPolarHBondContact CG2-O 3.32Å; V320-K394 WeakPolarHBondContact CG2-O 3.22Å; V320-L396 HydrophobicContact CB-CD1 4.36Å; V320-L396 HydrophobicContact CB-CG 4.46Å; V320-L396 HydrophobicContact CG1-CB 4.04Å; V320-L396 HydrophobicContact CG1-CD1 4.27Å; V320-L396 HydrophobicContact CG1-CG 4.04Å
321	I	80.9	Confident	65.4	Low	16 Å²	16	64.4 Å²	64.4	8%	0.082	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.9	173.4	63.9	154.3	0	0	0	109.6	R319 L330 A331 H332 S664 I673 N675 I680	R319-I321 HydrophobicContact CG-CG2 4.1Å; I321-L330 HydrophobicContact CB-CD1 4.08Å; I321-L330 HydrophobicContact CB-CD2 4.13Å; I321-L330 HydrophobicContact CB-CG 4.18Å; I321-L330 HydrophobicContact CD1-CD1 3.86Å; I321-L330 HydrophobicContact CG2-CD1 4.38Å; I321-L330 HydrophobicContact CG2-CD2 3.9Å; I321-L330 HydrophobicContact CG2-CG 4.46Å; I321-A331 WeakPolarHBondContact CA-O 3.43Å; I321-H332 HydrophobicContact CG2-CB 3.94Å; I321-S664 VanDerWaalsContact CG1-OG 3.27Å; I321-S664 WeakPolarHBondContact CG1-OG 3.49Å; I321-I673 HydrophobicContact CD1-CG2 3.85Å; I321-N675 HydrophobicContact CD1-CB 3.58Å; I321-N675 HydrophobicContact CG1-CB 3.79Å; I321-N675 HydrophobicContact CG2-CB 4.48Å; I321-I680 HydrophobicContact CG2-CD1 4.01Å
322	H	81.2	Confident	66.4	Low	26 Å²	26	59.8 Å²	59.8	12%	0.12	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	139.9	167.3	-162.9	-83.3	0	0	0	108.9	A331 L396 W397 L398	H322-A331 PolarHBondContact N-O 3.38Å; H322-A331 PolarHBondContact O-N 2.84Å; H322-L396 HydrophobicContact CB-CB 4.03Å; H322-L396 PolarHBondContact CD2-O 2.96Å; H322-W397 AromaticContact CE1-CD2 3.91Å; H322-W397 AromaticContact NE2-CD2 3.66Å; H322-W397 AromaticContact NE2-CE3 3.49Å; H322-W397 AromaticContact NE2-CZ3 3.91Å; H322-L398 PolarHBondContact ND1-N 3.33Å; H322-L398 VanDerWaalsContact ND1-N 3.13Å
323	V	70.2	Confident	67.1	Low	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.5	172.7	-171.5	0	0	0	0	105.9	S327 W329 L330 I347 M666 L668	V323-S327 WeakPolarHBondContact CG1-OG 3.44Å; V323-W329 WeakPolarHBondContact CG1-O 3.45Å; V323-L330 HydrophobicContact CG2-CB 3.82Å; V323-L330 HydrophobicContact CG2-CD1 3.64Å; V323-L330 HydrophobicContact CG2-CG 3.84Å; V323-I347 HydrophobicContact CG1-CD1 3.89Å; V323-I347 HydrophobicContact CG2-CD1 3.8Å; V323-M666 HydrophobicContact CB-CE 3.69Å; V323-M666 HydrophobicContact CB-SD 3.45Å; V323-M666 WeakPolarHBondContact CB-SD 3.22Å; V323-M666 HydrophobicContact CG1-CE 4.35Å; V323-M666 HydrophobicContact CG2-SD 4.08Å; V323-M666 PolarHBondContact N-SD 2.73Å; V323-M666 VanDerWaalsContact N-SD 3.39Å; V323-M666 WeakPolarHBondContact O-CE 3.47Å; V323-L668 HydrophobicContact CG1-CD1 4.43Å; V323-L668 HydrophobicContact CG1-CD2 4.4Å
324	D	69	Low	67.6	Low	9 Å²	9	50.8 Å²	50.8	5%	0.048	23%	0.23	C	C	.	.			trans	-89	141.5	166.3	178	1.8	0	0	0	107.1	R326 S327 V400	D324-R326 PolarHBondContact O-N 3.37Å; D324-R326 PolarHBondContact OD1-N 2.91Å; D324-S327 WeakPolarHBondContact CB-OG 3.42Å; D324-S327 PolarHBondContact N-OG 2.88Å; D324-S327 PolarHBondContact O-N 3Å; D324-S327 PolarHBondContact O-OG 2.84Å; D324-S327 VanDerWaalsContact O-OG 3.07Å; D324-V400 HydrophobicContact CB-CB 4.41Å; D324-V400 HydrophobicContact CB-CG2 4Å; D324-V400 PolarHBondContact OD2-N 3.15Å
325	K	63	Low	68.2	Low	154 Å²	154	48.8 Å²	48.8	67%	0.67	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.8	-179.3	-70.6	-175.3	177.4	-175.3	0	112.5	M666	K325-M666 HydrophobicContact CG-CE 4.17Å
326	R	60	Low	68.6	Low	182 Å²	182	51.6 Å²	51.6	69%	0.687	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-8.6	178.6	-62.1	178.1	175.8	138	-0.4	113.9	D324	D324-R326 PolarHBondContact O-N 3.37Å; D324-R326 PolarHBondContact OD1-N 2.91Å
327	S	60.4	Low	68.8	Low	6 Å²	6	54.9 Å²	54.9	4%	0.042	25%	0.245	C	C	.	.			trans	-95.9	149.7	-169.8	72.1	0	0	0	0	113.5	V323 D324 W329 V400	V323-S327 WeakPolarHBondContact CG1-OG 3.44Å; D324-S327 WeakPolarHBondContact CB-OG 3.42Å; D324-S327 PolarHBondContact N-OG 2.88Å; D324-S327 PolarHBondContact O-N 3Å; D324-S327 PolarHBondContact O-OG 2.84Å; D324-S327 VanDerWaalsContact O-OG 3.07Å; S327-W329 VanDerWaalsContact C-N 3.29Å; S327-W329 PolarHBondContact OG-O 3.24Å; S327-V400 VanDerWaalsContact CB-CG2 3.42Å
328	H	66.7	Low	68.9	Low	96 Å²	96	53.6 Å²	53.6	44%	0.444	24%	0.242	S	C	.	.	S	Bend	trans	-86.8	2.8	164.1	-60.8	-51.8	0	0	0	112.6	I347 A348	H328-I347 CarbonylContact O-C 3.58Å; H328-I347 WeakPolarHBondContact O-CA 2.9Å; H328-I347 VanDerWaalsContact O-CB 3.22Å; H328-I347 WeakPolarHBondContact O-CB 3.12Å; H328-I347 WeakPolarHBondContact O-CG1 3.47Å; H328-I347 PolarHBondContact O-N 3.38Å; H328-A348 HydrophobicContact CB-CB 3.76Å; H328-A348 PolarHBondContact O-N 3.13Å
329	W	69	Low	68.7	Low	8 Å²	8	55.3 Å²	55.3	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.5	-172.3	-66.8	80.2	0	0	0	113.2	V323 S327 F344 I345 D346 M378 N382	V323-W329 WeakPolarHBondContact CG1-O 3.45Å; S327-W329 VanDerWaalsContact C-N 3.29Å; S327-W329 PolarHBondContact OG-O 3.24Å; W329-F344 HydrophobicContact CE3-CB 3.86Å; W329-F344 HydrophobicContact CZ3-CB 4.34Å; W329-I345 CarbonylContact C-O 3.5Å; W329-I345 VanDerWaalsContact CA-O 3.29Å; W329-I345 WeakPolarHBondContact CA-O 3.46Å; W329-D346 HydrophobicContact CD2-CB 4.1Å; W329-D346 HydrophobicContact CE3-CB 3.95Å; W329-D346 VanDerWaalsContact CE3-N 3.26Å; W329-D346 HydrophobicContact CH2-CB 3.5Å; W329-D346 HydrophobicContact CZ2-CB 3.65Å; W329-D346 HydrophobicContact CZ3-CB 3.66Å; W329-D346 VanDerWaalsContact CZ3-N 3.34Å; W329-M378 VanDerWaalsContact CH2-O 3.25Å; W329-M378 WeakPolarHBondContact CH2-O 3.24Å; W329-M378 HydrophobicContact CZ2-CB 4.1Å; W329-M378 WeakPolarHBondContact CZ2-O 3.43Å; W329-M378 PolarHBondContact NE1-SD 3.3Å; W329-N382 HydrophobicContact CH2-CB 3.58Å; W329-N382 HydrophobicContact CZ3-CB 3.69Å
330	L	77.4	Confident	68.7	Low	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.7	175	-178.2	141.8	0	0	0	110.2	I321 V323 H332 F344 I345 I347 I673 I680	I321-L330 HydrophobicContact CB-CD1 4.08Å; I321-L330 HydrophobicContact CB-CD2 4.13Å; I321-L330 HydrophobicContact CB-CG 4.18Å; I321-L330 HydrophobicContact CD1-CD1 3.86Å; I321-L330 HydrophobicContact CG2-CD1 4.38Å; I321-L330 HydrophobicContact CG2-CD2 3.9Å; I321-L330 HydrophobicContact CG2-CG 4.46Å; V323-L330 HydrophobicContact CG2-CB 3.82Å; V323-L330 HydrophobicContact CG2-CD1 3.64Å; V323-L330 HydrophobicContact CG2-CG 3.84Å; L330-H332 HydrophobicContact CD2-CB 3.72Å; L330-F344 CarbonylContact O-C 3.51Å; L330-F344 WeakPolarHBondContact O-CA 3.5Å; L330-I345 HydrophobicContact CB-CB 4.43Å; L330-I345 HydrophobicContact CD2-CD1 4.2Å; L330-I345 PolarHBondContact N-O 3.01Å; L330-I345 PolarHBondContact O-N 2.74Å; L330-I347 HydrophobicContact CB-CD1 3.51Å; L330-I347 HydrophobicContact CB-CG1 3.83Å; L330-I347 HydrophobicContact CD1-CD1 4.26Å; L330-I673 HydrophobicContact CD1-CG2 3.69Å; L330-I680 HydrophobicContact CD1-CG2 4.01Å; L330-I680 HydrophobicContact CD2-CD1 4Å
331	A	79.1	Confident	68.8	Low	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.7	166.1	0	0	0	0	0	108.7	I321 H322 I342 F344 L396 L398 L405	I321-A331 WeakPolarHBondContact CA-O 3.43Å; H322-A331 PolarHBondContact N-O 3.38Å; H322-A331 PolarHBondContact O-N 2.84Å; A331-I342 HydrophobicContact CB-CG2 4.33Å; A331-F344 HydrophobicContact CB-CD1 3.98Å; A331-F344 HydrophobicContact CB-CE1 3.76Å; A331-L396 HydrophobicContact CB-CD1 4.38Å; A331-L398 HydrophobicContact CB-CD2 4.27Å; A331-L405 HydrophobicContact CB-CD1 4.02Å
332	H	80.3	Confident	68.8	Low	5 Å²	5	56.1 Å²	56.1	2%	0.023	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.1	171.2	74.5	-72.1	0	0	0	111.7	V320 I321 L330 I342 K343	V320-H332 VanDerWaalsContact O-CA 3.31Å; V320-H332 WeakPolarHBondContact O-CA 3.39Å; I321-H332 HydrophobicContact CG2-CB 3.94Å; L330-H332 HydrophobicContact CD2-CB 3.72Å; H332-I342 WeakPolarHBondContact O-CA 3.45Å; H332-K343 WeakPolarHBondContact CE1-CB 3.43Å; H332-K343 PolarHBondContact N-O 2.89Å; H332-K343 PolarHBondContact ND1-O 3.37Å; H332-K343 VanDerWaalsContact ND1-O 3.16Å; H332-K343 PolarHBondContact O-N 2.78Å
333	C	76.4	Confident	68.7	Low	4 Å²	4	57.6 Å²	57.6	3%	0.027	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.1	170.1	69.3	0	0	0	0	111	V320 I393	V320-C333 PolarHBondContact N-SG 3.22Å; V320-C333 PolarHBondContact O-N 3.49Å; C333-I393 HydrophobicContact CB-CB 3.99Å; C333-I393 HydrophobicContact CB-CD1 4.31Å; C333-I393 HydrophobicContact CB-CG2 4.3Å
334	E	68.8	Low	69	Low	39 Å²	39	58 Å²	58	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.2	172.6	175.3	161	-128	0	0	110.1	R309 T341 K343	R309-E334 IonicContact CZ-OE1 3.3Å; R309-E334 IonicContact NE-OE1 3.91Å; R309-E334 IonicContact NH2-OE1 2.88Å; R309-E334 PolarHBondContact NH2-OE1 3.32Å; E334-T341 PolarHBondContact N-O 2.91Å; E334-T341 PolarHBondContact O-N 3.42Å; E334-T341 VanDerWaalsContact O-O 3.07Å; E334-T341 PolarHBondContact O-OG1 2.89Å; E334-T341 VanDerWaalsContact O-OG1 3.06Å; E334-K343 HydrophobicContact CB-CD 4.46Å; E334-K343 WeakPolarHBondContact OE2-CE 3.01Å; E334-K343 IonicContact OE2-NZ 3.96Å; E334-K343 PolarHBondContact OE2-NZ 3.39Å
335	G	62.4	Low	69.2	Low	13 Å²	13	58.8 Å²	58.8	13%	0.134	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.6	170.8	173.9	0	0	0	0	0	114.7	Q339	G335-Q339 CarbonylContact C-O 3.48Å; G335-Q339 WeakPolarHBondContact CA-O 3.46Å
336	R	59.7	Low	69.5	Low	168 Å²	168	54.3 Å²	54.3	63%	0.634	25%	0.253	S	S	*	.			trans	-83.5	173.1	170	-70.8	-178.8	179.1	175.7	0.2	109.7	P314 Q338 Q339 R340	P314-R336 HydrophobicContact CB-CG 3.63Å; P314-R336 HydrophobicContact CG-CG 4.11Å; R336-Q338 PolarHBondContact O-N 3.04Å; R336-Q338 VanDerWaalsContact O-N 3.13Å; R336-Q339 PolarHBondContact N-O 2.95Å; R336-Q339 CarbonylContact O-C 3.58Å; R336-Q339 PolarHBondContact O-N 3.37Å; R336-R340 WeakPolarHBondContact O-CG 3.38Å; R336-R340 PolarHBondContact O-NE 2.92Å
337	S	58.9	Low	70	Confident	82 Å²	82	45.9 Å²	45.9	57%	0.573	22%	0.222	S	C	*	.	S	Bend	trans	-50.7	-38.2	176.5	47.9	0	0	0	0	113.2	R340	S337-R340 PolarHBondContact O-NE 3.39Å
338	Q	55.8	Low	70	Confident	174 Å²	174	47.2 Å²	47.2	81%	0.813	23%	0.233	S	C	*	.	S	Bend	trans	-87.6	-26.4	-174.1	-64.8	172.1	-19.7	0	0	115.3	R336	R336-Q338 PolarHBondContact O-N 3.04Å; R336-Q338 VanDerWaalsContact O-N 3.13Å
339	Q	57.6	Low	69.3	Low	154 Å²	154	47.7 Å²	47.7	72%	0.72	24%	0.237	S	C	*	.			trans	-136.8	108.6	-177.7	-75.3	-175	-12.2	0	0	108.7	G335 R336	G335-Q339 CarbonylContact C-O 3.48Å; G335-Q339 WeakPolarHBondContact CA-O 3.46Å; R336-Q339 PolarHBondContact N-O 2.95Å; R336-Q339 CarbonylContact O-C 3.58Å; R336-Q339 PolarHBondContact O-N 3.37Å
340	R	72.3	Confident	68.2	Low	39 Å²	39	56.3 Å²	56.3	15%	0.147	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.4	-175.2	-63	173.4	-178.5	-105.4	19.1	109.2	C316 R336 S337 G391 S392	C316-R340 PolarHBondContact SG-NH1 3.09Å; R336-R340 WeakPolarHBondContact O-CG 3.38Å; R336-R340 PolarHBondContact O-NE 2.92Å; S337-R340 PolarHBondContact O-NE 3.39Å; R340-G391 VanDerWaalsContact CD-C 3.42Å; R340-G391 WeakPolarHBondContact CD-O 3.16Å; R340-S392 PolarHBondContact NH1-OG 3.49Å; R340-S392 VanDerWaalsContact NH2-CB 3.3Å
341	T	75.7	Confident	66.1	Low	20 Å²	20	60.7 Å²	60.7	12%	0.123	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.3	-173.2	63.9	0	0	0	0	108.9	E334 L386 I387	E334-T341 PolarHBondContact N-O 2.91Å; E334-T341 PolarHBondContact O-N 3.42Å; E334-T341 VanDerWaalsContact O-O 3.07Å; E334-T341 PolarHBondContact O-OG1 2.89Å; E334-T341 VanDerWaalsContact O-OG1 3.06Å; T341-L386 WeakPolarHBondContact CA-O 3.34Å; T341-I387 HydrophobicContact CG2-CD1 4.15Å; T341-I387 HydrophobicContact CG2-CG1 3.96Å
342	I	81.4	Confident	63.9	Low	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.7	166	-50.8	163.6	0	0	0	106.6	A331 H332 L386 I393 L396 L405 W417	A331-I342 HydrophobicContact CB-CG2 4.33Å; H332-I342 WeakPolarHBondContact O-CA 3.45Å; I342-L386 HydrophobicContact CB-CB 4.06Å; I342-L386 HydrophobicContact CB-CD1 4.33Å; I342-L386 HydrophobicContact CD1-CB 4.24Å; I342-L386 HydrophobicContact CD1-CD1 4.3Å; I342-L386 HydrophobicContact CG1-CB 4.47Å; I342-L386 PolarHBondContact N-O 3.22Å; I342-L386 PolarHBondContact O-N 2.86Å; I342-L386 VanDerWaalsContact O-N 3.13Å; I342-I393 HydrophobicContact CD1-CD1 3.78Å; I342-I393 HydrophobicContact CG1-CD1 3.36Å; I342-L396 HydrophobicContact CD1-CD2 4Å; I342-L396 HydrophobicContact CG1-CD2 4.37Å; I342-L396 HydrophobicContact CG2-CD1 4.4Å; I342-L405 HydrophobicContact CB-CD2 4.48Å; I342-L405 HydrophobicContact CD1-CD2 3.68Å; I342-L405 HydrophobicContact CG2-CD2 3.83Å; I342-W417 HydrophobicContact CD1-CZ2 4.45Å
343	K	77.8	Confident	61.3	Low	56 Å²	56	80 Å²	80	24%	0.243	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.9	179.5	-73.7	-177.6	-178.3	-178.8	0	109.6	H332 E334	H332-K343 WeakPolarHBondContact CE1-CB 3.43Å; H332-K343 PolarHBondContact N-O 2.89Å; H332-K343 PolarHBondContact ND1-O 3.37Å; H332-K343 VanDerWaalsContact ND1-O 3.16Å; H332-K343 PolarHBondContact O-N 2.78Å; E334-K343 HydrophobicContact CB-CD 4.46Å; E334-K343 WeakPolarHBondContact OE2-CE 3.01Å; E334-K343 IonicContact OE2-NZ 3.96Å; E334-K343 PolarHBondContact OE2-NZ 3.39Å
344	F	77.8	Confident	59.1	Low	10 Å²	10	87.4 Å²	87.4	4%	0.044	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.1	176.1	-60.6	-85.2	0	0	0	109.6	W329 L330 A331 N382 L386 L398 L405 L419	W329-F344 HydrophobicContact CE3-CB 3.86Å; W329-F344 HydrophobicContact CZ3-CB 4.34Å; L330-F344 CarbonylContact O-C 3.51Å; L330-F344 WeakPolarHBondContact O-CA 3.5Å; A331-F344 HydrophobicContact CB-CD1 3.98Å; A331-F344 HydrophobicContact CB-CE1 3.76Å; F344-N382 PolarHBondContact O-OD1 2.77Å; F344-L386 HydrophobicContact CE2-CD1 3.97Å; F344-L386 HydrophobicContact CE2-CG 4.23Å; F344-L386 HydrophobicContact CZ-CD1 3.9Å; F344-L398 HydrophobicContact CE1-CD1 4.15Å; F344-L405 HydrophobicContact CZ-CD2 4.23Å; F344-L419 HydrophobicContact CE1-CD1 4.32Å; F344-L419 HydrophobicContact CE1-CD2 4.49Å; F344-L419 HydrophobicContact CE2-CD2 4.19Å; F344-L419 HydrophobicContact CZ-CD1 4.27Å; F344-L419 HydrophobicContact CZ-CD2 3.66Å
345	I	72.7	Confident	57.1	Low	25 Å²	25	95 Å²	95	13%	0.128	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.4	174.5	-62.8	174.6	0	0	0	107.7	L307 W329 L330 I347 I680	L307-I345 HydrophobicContact CB-CD1 4.21Å; L307-I345 HydrophobicContact CD1-CD1 3.62Å; W329-I345 CarbonylContact C-O 3.5Å; W329-I345 VanDerWaalsContact CA-O 3.29Å; W329-I345 WeakPolarHBondContact CA-O 3.46Å; L330-I345 HydrophobicContact CB-CB 4.43Å; L330-I345 HydrophobicContact CD2-CD1 4.2Å; L330-I345 PolarHBondContact N-O 3.01Å; L330-I345 PolarHBondContact O-N 2.74Å; I345-I347 PolarHBondContact O-N 2.89Å; I345-I680 HydrophobicContact CD1-CD1 4.19Å
346	D	69	Low	55.4	Low	60 Å²	60	103 Å²	103	32%	0.321	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120.6	170.4	-161.7	-3.4	0	0	0	109.6	W329 A348	W329-D346 HydrophobicContact CD2-CB 4.1Å; W329-D346 HydrophobicContact CE3-CB 3.95Å; W329-D346 VanDerWaalsContact CE3-N 3.26Å; W329-D346 HydrophobicContact CH2-CB 3.5Å; W329-D346 HydrophobicContact CZ2-CB 3.65Å; W329-D346 HydrophobicContact CZ3-CB 3.66Å; W329-D346 VanDerWaalsContact CZ3-N 3.34Å; D346-A348 WeakPolarHBondContact OD1-CB 3.3Å; D346-A348 PolarHBondContact OD1-N 3.25Å
347	I	69.6	Low	53.9	Low	5 Å²	5	100.7 Å²	100.7	3%	0.026	49%	0.489	C	S	.	.			trans	-106.5	5.8	173.9	-27	167.8	0	0	0	110.2	L306 V323 H328 L330 I345 M349 R671 I673	L306-I347 HydrophobicContact CD1-CG1 4.37Å; L306-I347 HydrophobicContact CD1-CG2 3.56Å; L306-I347 HydrophobicContact CD2-CG2 3.86Å; L306-I347 HydrophobicContact CG-CG2 4.37Å; V323-I347 HydrophobicContact CG1-CD1 3.89Å; V323-I347 HydrophobicContact CG2-CD1 3.8Å; H328-I347 CarbonylContact O-C 3.58Å; H328-I347 WeakPolarHBondContact O-CA 2.9Å; H328-I347 VanDerWaalsContact O-CB 3.22Å; H328-I347 WeakPolarHBondContact O-CB 3.12Å; H328-I347 WeakPolarHBondContact O-CG1 3.47Å; H328-I347 PolarHBondContact O-N 3.38Å; L330-I347 HydrophobicContact CB-CD1 3.51Å; L330-I347 HydrophobicContact CB-CG1 3.83Å; L330-I347 HydrophobicContact CD1-CD1 4.26Å; I345-I347 PolarHBondContact O-N 2.89Å; I347-M349 PolarHBondContact O-N 3.17Å; I347-R671 PolarHBondContact O-NH1 2.72Å; I347-I673 HydrophobicContact CD1-CD1 4.4Å; I347-I673 HydrophobicContact CG2-CD1 4.04Å
348	A	61.7	Low	52.4	Low	34 Å²	34	102.4 Å²	102.4	28%	0.281	50%	0.501	S	S	.	.			trans	-57.4	128.2	171.2	0	0	0	0	0	108.5	H328 D346 K350	H328-A348 HydrophobicContact CB-CB 3.76Å; H328-A348 PolarHBondContact O-N 3.13Å; D346-A348 WeakPolarHBondContact OD1-CB 3.3Å; D346-A348 PolarHBondContact OD1-N 3.25Å; A348-K350 PolarHBondContact O-N 3Å
349	M	51.8	Low	51	Low	105 Å²	105	100.3 Å²	100.3	52%	0.517	50%	0.5	S	S	.	.			trans	-66.7	109.1	164.1	-69.2	-72.7	-80.1	0	0	105.2	Y304 I347 S351	Y304-M349 HydrophobicContact CE2-CE 4.03Å; Y304-M349 HydrophobicContact CE2-SD 4.35Å; I347-M349 PolarHBondContact O-N 3.17Å; M349-S351 PolarHBondContact O-N 3.44Å
350	K	45.9	Very low	49.6	Very low	189 Å²	189	96.4 Å²	96.4	82%	0.822	50%	0.501	S	S	*	.			trans	-57.9	96.9	160	-74.2	-177.7	179.8	178.3	0	105	A348 F352	A348-K350 PolarHBondContact O-N 3Å; K350-F352 PolarHBondContact O-N 3.02Å
351	S	33.6	Very low	47.4	Very low	93 Å²	93	102.1 Å²	102.1	65%	0.65	53%	0.533	S	S	*	.			trans	-50.7	128.4	161.5	46.4	0	0	0	0	105	M349 R353	M349-S351 PolarHBondContact O-N 3.44Å; S351-R353 PolarHBondContact O-N 2.89Å
352	F	31.7	Very low	45	Very low	202 Å²	202	109.7 Å²	109.7	89%	0.886	57%	0.566	S	S	*	*			trans	-51.2	93.1	164.6	-100.7	-108	0	0	0	105.8	K350 E354	K350-F352 PolarHBondContact O-N 3.02Å; F352-E354 PolarHBondContact O-N 3.32Å
353	R	27.6	Very low	42.5	Very low	207 Å²	207	119 Å²	119	78%	0.781	61%	0.607	S	S	*	*			trans	-65.7	93.3	154	-77.7	-172.8	178.4	-178.4	-0.1	102.1	S351 K355	S351-R353 PolarHBondContact O-N 2.89Å; R353-K355 PolarHBondContact O-N 2.91Å; R353-K355 VanDerWaalsContact O-N 3.1Å
354	E	28.5	Very low	40	Very low	160 Å²	160	127.4 Å²	127.4	75%	0.748	64%	0.637	S	S	*	*			trans	-42.2	123.3	169	-73.4	178	156.1	0	0	106.1	F352 E356	F352-E354 PolarHBondContact O-N 3.32Å; E354-E356 PolarHBondContact O-N 3.15Å
355	K	27	Very low	37.7	Very low	199 Å²	199	134 Å²	134	87%	0.865	67%	0.673	S	S	*	*			trans	-61.6	86.6	169	-74.8	178	175.1	178.1	0	105.2	R353 T357	R353-K355 PolarHBondContact O-N 2.91Å; R353-K355 VanDerWaalsContact O-N 3.1Å; K355-T357 VanDerWaalsContact C-N 3.29Å; K355-T357 PolarHBondContact O-N 2.85Å
356	E	28	Very low	35.5	Very low	181 Å²	181	140.7 Å²	140.7	85%	0.846	70%	0.703	S	S	*	*			trans	-54.1	107.8	161.4	-78.5	-173.2	165.2	0	0	105	E354 S358	E354-E356 PolarHBondContact O-N 3.15Å; E356-S358 PolarHBondContact O-N 3.43Å; E356-S358 VanDerWaalsContact O-N 3.14Å
357	T	28.1	Very low	33.6	Very low	119 Å²	119	144.9 Å²	144.9	73%	0.73	73%	0.726	S	S	*	*			trans	-51.1	120.3	-175.5	40.9	0	0	0	0	108.5	K355 T359	K355-T357 VanDerWaalsContact C-N 3.29Å; K355-T357 PolarHBondContact O-N 2.85Å; T357-T359 VanDerWaalsContact C-N 3.27Å; T357-T359 PolarHBondContact O-N 2.94Å
358	S	27.4	Very low	31.7	Very low	119 Å²	119	150.1 Å²	150.1	83%	0.832	75%	0.753	S	S	*	*	S	Bend	trans	-57.6	84.8	172.7	53.1	0	0	0	0	110.9	E356	E356-S358 PolarHBondContact O-N 3.43Å; E356-S358 VanDerWaalsContact O-N 3.14Å
359	T	26.4	Very low	30.2	Very low	130 Å²	130	155.5 Å²	155.5	80%	0.798	78%	0.776	S	S	*	*			trans	-146.9	95.2	160.5	52.9	0	0	0	0	107.9	T357	T357-T359 VanDerWaalsContact C-N 3.27Å; T357-T359 PolarHBondContact O-N 2.94Å
360	G	27.1	Very low	29.3	Very low	71 Å²	71	158.9 Å²	158.9	73%	0.732	79%	0.791	S	S	*	*			trans	159.1	77	176.9	0	0	0	0	0	112	H362	G360-H362 PolarHBondContact O-N 3.26Å
361	I	26.5	Very low	28.7	Very low	159 Å²	159	155.6 Å²	155.6	82%	0.815	78%	0.782	S	S	*	*			trans	-56.3	101.3	173.8	-63.4	159.7	0	0	0	108.9
362	H	25.9	Very low	28.8	Very low	179 Å²	179	154.9 Å²	154.9	83%	0.829	77%	0.771	S	S	*	*			trans	-143.2	94	154.9	-87.1	-63	0	0	0	109.5	G360 R364	G360-H362 PolarHBondContact O-N 3.26Å; H362-R364 PolarHBondContact O-N 3.04Å
363	K	28	Very low	29	Very low	197 Å²	197	148.5 Å²	148.5	86%	0.857	75%	0.751	S	S	*	*			trans	-54.7	107.6	162.5	-71.8	177	175.3	177.9	0	108.5
364	R	25	Very low	29.5	Very low	231 Å²	231	142.7 Å²	142.7	87%	0.872	74%	0.739	S	S	*	*			trans	-122.7	95.9	158.4	-85.1	-173.6	175	166.9	0.6	108.1	H362 H366	H362-R364 PolarHBondContact O-N 3.04Å; R364-H366 PolarHBondContact O-N 2.99Å
365	N	30.8	Very low	30.3	Very low	148 Å²	148	138.1 Å²	138.1	79%	0.791	73%	0.725	S	S	*	*			trans	-65.6	105.4	164.9	-74.6	-15.8	0	0	0	107.9
366	H	26.5	Very low	31.4	Very low	167 Å²	167	135.2 Å²	135.2	77%	0.773	71%	0.714	S	S	*	*			trans	-157.7	116.6	153	-85.7	-55.3	0	0	0	110.9	R364	R364-H366 PolarHBondContact O-N 2.99Å
367	N	28.1	Very low	32.3	Very low	147 Å²	147	128.2 Å²	128.2	79%	0.786	68%	0.681	S	S	*	*			trans	60.9	64.4	148.9	-58	-6.9	0	0	0	119.6	N369	N367-N369 VanDerWaalsContact C-N 3.34Å
368	I	30.7	Very low	33.3	Very low	116 Å²	116	125.4 Å²	125.4	60%	0.595	66%	0.66	S	S	*	*			trans	-82.5	0.8	170.4	-74.5	160.6	0	0	0	113.8	Q370 D372	I368-Q370 VanDerWaalsContact C-N 3.33Å; I368-Q370 PolarHBondContact O-N 3.5Å; I368-Q370 VanDerWaalsContact O-N 3.09Å; I368-D372 VanDerWaalsContact CG2-OD2 3.27Å; I368-D372 WeakPolarHBondContact CG2-OD2 3.5Å
369	N	30.3	Very low	34.7	Very low	146 Å²	146	121.9 Å²	121.9	78%	0.781	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-10.3	-166.6	-66.9	1.7	0	0	0	116.9	N367	N367-N369 VanDerWaalsContact C-N 3.34Å
370	Q	33.1	Very low	36.1	Very low	177 Å²	177	119 Å²	119	83%	0.827	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-24.8	179.7	-92.6	-174.8	-5.1	0	0	115.1	I368 S373	I368-Q370 VanDerWaalsContact C-N 3.33Å; I368-Q370 PolarHBondContact O-N 3.5Å; I368-Q370 VanDerWaalsContact O-N 3.09Å; Q370-S373 PolarHBondContact O-OG 2.95Å
371	L	31.5	Very low	37.7	Very low	119 Å²	119	116 Å²	116	62%	0.623	58%	0.583	S	S	*	*	H	α-helix	trans	-81.6	-27.5	178.4	-144.1	78.4	0	0	0	111.8	S373 T374	L371-S373 PolarHBondContact O-N 3.24Å; L371-T374 PolarHBondContact O-OG1 3.25Å
372	D	35.8	Very low	39.3	Very low	79 Å²	79	112.6 Å²	112.6	42%	0.422	57%	0.566	S	S	.	*	H	α-helix	trans	-67.5	-34.7	-177.5	-76.9	-6	0	0	0	112.6	I368 T374 S375 E376	I368-D372 VanDerWaalsContact CG2-OD2 3.27Å; I368-D372 WeakPolarHBondContact CG2-OD2 3.5Å; D372-T374 PolarHBondContact O-N 2.91Å; D372-S375 CarbonylContact O-C 3.48Å; D372-S375 PolarHBondContact O-N 3.15Å; D372-S375 VanDerWaalsContact O-N 3.09Å; D372-S375 PolarHBondContact O-OG 3.39Å; D372-E376 VanDerWaalsContact O-CB 3.27Å; D372-E376 WeakPolarHBondContact O-CB 2.96Å; D372-E376 PolarHBondContact O-N 3.19Å
373	S	37.1	Very low	40.9	Very low	67 Å²	67	114 Å²	114	47%	0.469	56%	0.564	S	S	.	*	H	α-helix	trans	-62	-41.8	-174.7	67.3	0	0	0	0	113.8	Q370 L371 E376 F377	Q370-S373 PolarHBondContact O-OG 2.95Å; L371-S373 PolarHBondContact O-N 3.24Å; S373-E376 PolarHBondContact O-N 3.46Å; S373-F377 WeakPolarHBondContact O-CB 3.33Å; S373-F377 PolarHBondContact O-N 3.5Å
374	T	38.4	Very low	42.7	Very low	85 Å²	85	105.2 Å²	105.2	52%	0.521	53%	0.527	S	S	.	.	H	α-helix	trans	-69	-41.5	174.8	61	0	0	0	0	110.5	L371 D372 E376 M378	L371-T374 PolarHBondContact O-OG1 3.25Å; D372-T374 PolarHBondContact O-N 2.91Å; T374-E376 VanDerWaalsContact C-N 3.28Å; T374-E376 PolarHBondContact O-N 2.92Å; T374-M378 WeakPolarHBondContact O-CB 3.22Å; T374-M378 WeakPolarHBondContact O-CG 3.44Å; T374-M378 PolarHBondContact O-N 3.29Å
375	S	45.2	Very low	44.8	Very low	65 Å²	65	101.8 Å²	101.8	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-64.7	-33.8	177.7	84	0	0	0	0	112.6	D372 M378 A379	D372-S375 CarbonylContact O-C 3.48Å; D372-S375 PolarHBondContact O-N 3.15Å; D372-S375 VanDerWaalsContact O-N 3.09Å; D372-S375 PolarHBondContact O-OG 3.39Å; S375-M378 PolarHBondContact O-N 2.86Å; S375-A379 VanDerWaalsContact O-CB 3.26Å; S375-A379 WeakPolarHBondContact O-CB 3.11Å; S375-A379 PolarHBondContact O-N 3.3Å
376	E	49.5	Very low	47.1	Very low	138 Å²	138	95 Å²	95	65%	0.645	48%	0.478	S	S	*	.	H	α-helix	trans	-74.6	-47.3	-179.2	-168.6	174.7	-164.3	0	0	111.1	D372 S373 T374 M378 A379 H380	D372-E376 VanDerWaalsContact O-CB 3.27Å; D372-E376 WeakPolarHBondContact O-CB 2.96Å; D372-E376 PolarHBondContact O-N 3.19Å; S373-E376 PolarHBondContact O-N 3.46Å; T374-E376 VanDerWaalsContact C-N 3.28Å; T374-E376 PolarHBondContact O-N 2.92Å; E376-M378 PolarHBondContact O-N 3.42Å; E376-A379 PolarHBondContact O-N 3.21Å; E376-H380 WeakPolarHBondContact O-CB 3.25Å; E376-H380 PolarHBondContact O-N 2.97Å
377	F	46.3	Very low	49.6	Very low	33 Å²	33	92 Å²	92	15%	0.145	47%	0.467	C	S	.	.	H	α-helix	trans	-56.2	-41.2	170.2	177.6	-102.9	0	0	0	111.8	S373 H380 L381 Q403 L419 D421	S373-F377 WeakPolarHBondContact O-CB 3.33Å; S373-F377 PolarHBondContact O-N 3.5Å; F377-H380 WeakPolarHBondContact O-CB 3.47Å; F377-H380 PolarHBondContact O-N 3.36Å; F377-L381 HydrophobicContact CD1-CD1 4.42Å; F377-L381 HydrophobicContact CE1-CD1 3.82Å; F377-L381 HydrophobicContact CE1-CG 4.47Å; F377-L381 HydrophobicContact CZ-CD1 4.11Å; F377-L381 HydrophobicContact CZ-CG 4.45Å; F377-L381 PolarHBondContact O-N 3.41Å; F377-L381 VanDerWaalsContact O-N 3.15Å; F377-Q403 HydrophobicContact CZ-CG 4.27Å; F377-L419 VanDerWaalsContact CE2-O 3.32Å; F377-L419 WeakPolarHBondContact CE2-O 3.05Å; F377-D421 WeakPolarHBondContact CA-OD2 3.35Å; F377-D421 HydrophobicContact CD2-CB 4.09Å; F377-D421 VanDerWaalsContact CD2-CG 3.47Å; F377-D421 WeakPolarHBondContact CD2-OD2 3.43Å
378	M	50.3	Low	51.9	Low	60 Å²	60	86.6 Å²	86.6	30%	0.296	45%	0.445	S	S	.	.	H	α-helix	trans	-72.1	-38.3	179.5	-64.3	-77.4	-165	0	0	111.9	W329 T374 S375 E376 H380 L381	W329-M378 VanDerWaalsContact CH2-O 3.25Å; W329-M378 WeakPolarHBondContact CH2-O 3.24Å; W329-M378 HydrophobicContact CZ2-CB 4.1Å; W329-M378 WeakPolarHBondContact CZ2-O 3.43Å; W329-M378 PolarHBondContact NE1-SD 3.3Å; T374-M378 WeakPolarHBondContact O-CB 3.22Å; T374-M378 WeakPolarHBondContact O-CG 3.44Å; T374-M378 PolarHBondContact O-N 3.29Å; S375-M378 PolarHBondContact O-N 2.86Å; E376-M378 PolarHBondContact O-N 3.42Å; M378-H380 VanDerWaalsContact C-N 3.29Å; M378-H380 PolarHBondContact O-N 3.24Å; M378-L381 PolarHBondContact O-N 3.16Å
379	A	55.7	Low	54.4	Low	46 Å²	46	81.7 Å²	81.7	38%	0.38	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-32.8	172.8	0	0	0	0	0	111.8	S375 E376	S375-A379 VanDerWaalsContact O-CB 3.26Å; S375-A379 WeakPolarHBondContact O-CB 3.11Å; S375-A379 PolarHBondContact O-N 3.3Å; E376-A379 PolarHBondContact O-N 3.21Å
380	H	57	Low	56.8	Low	69 Å²	69	78.7 Å²	78.7	32%	0.319	42%	0.415	S	S	.	.	H	α-helix	trans	-63.8	-48.6	175.4	-177	88	0	0	0	111.5	E376 F377 M378 N382 R383 V384 D421 K445	E376-H380 WeakPolarHBondContact O-CB 3.25Å; E376-H380 PolarHBondContact O-N 2.97Å; F377-H380 WeakPolarHBondContact O-CB 3.47Å; F377-H380 PolarHBondContact O-N 3.36Å; M378-H380 VanDerWaalsContact C-N 3.29Å; M378-H380 PolarHBondContact O-N 3.24Å; H380-N382 VanDerWaalsContact C-N 3.26Å; H380-N382 PolarHBondContact O-N 3.39Å; H380-R383 CarbonylContact O-C 3.55Å; H380-R383 WeakPolarHBondContact O-CA 3.42Å; H380-R383 WeakPolarHBondContact O-CB 3.44Å; H380-R383 PolarHBondContact O-N 3.01Å; H380-V384 WeakPolarHBondContact CD2-CG2 3.48Å; H380-V384 WeakPolarHBondContact NE2-CG2 3.47Å; H380-V384 VanDerWaalsContact O-CG2 3.24Å; H380-V384 WeakPolarHBondContact O-CG2 3.21Å; H380-V384 PolarHBondContact O-N 2.8Å; H380-V384 VanDerWaalsContact O-N 3.1Å; H380-D421 VanDerWaalsContact CB-OD2 3.22Å; H380-D421 WeakPolarHBondContact CB-OD2 3.22Å; H380-D421 VanDerWaalsContact CD2-CG 3.42Å; H380-D421 IonicContact CD2-OD1 2.91Å; H380-D421 PolarHBondContact CD2-OD1 3.06Å; H380-D421 IonicContact CD2-OD2 3.46Å; H380-D421 IonicContact CE1-OD1 3.83Å; H380-D421 IonicContact CG-OD1 3.26Å; H380-D421 IonicContact CG-OD2 2.82Å; H380-D421 IonicContact NE2-OD1 3.25Å; H380-D421 PolarHBondContact NE2-OD1 3.05Å; H380-K445 PolarHBondContact CD2-NZ 3.41Å; H380-K445 PolarHBondContact NE2-NZ 2.83Å
381	L	59.9	Low	58.9	Low	7 Å²	7	70.8 Å²	70.8	4%	0.037	38%	0.381	C	S	.	.	H	α-helix	trans	-56.5	-36.8	-179.2	-75.8	175.9	0	0	0	113.7	F377 M378 R383 V384 L419	F377-L381 HydrophobicContact CD1-CD1 4.42Å; F377-L381 HydrophobicContact CE1-CD1 3.82Å; F377-L381 HydrophobicContact CE1-CG 4.47Å; F377-L381 HydrophobicContact CZ-CD1 4.11Å; F377-L381 HydrophobicContact CZ-CG 4.45Å; F377-L381 PolarHBondContact O-N 3.41Å; F377-L381 VanDerWaalsContact O-N 3.15Å; M378-L381 PolarHBondContact O-N 3.16Å; L381-R383 PolarHBondContact O-N 3.26Å; L381-V384 PolarHBondContact O-N 3.28Å; L381-L419 HydrophobicContact CD2-CB 4.19Å; L381-L419 HydrophobicContact CD2-CD2 4.34Å
382	N	59.9	Low	61.4	Low	88 Å²	88	65.6 Å²	65.6	47%	0.471	36%	0.355	S	S	.	.	H	α-helix	trans	-65.1	-26.7	176.2	-140	-10.4	0	0	0	113.1	W329 F344 H380	W329-N382 HydrophobicContact CH2-CB 3.58Å; W329-N382 HydrophobicContact CZ3-CB 3.69Å; F344-N382 PolarHBondContact O-OD1 2.77Å; H380-N382 VanDerWaalsContact C-N 3.26Å; H380-N382 PolarHBondContact O-N 3.39Å
383	R	60.3	Low	63.7	Low	209 Å²	209	61.9 Å²	61.9	79%	0.789	34%	0.335	S	S	*	.	H	α-helix	trans	-92.7	-9.3	179.7	-63.5	177.3	178.7	176.2	0.7	112.7	H380 L381	H380-R383 CarbonylContact O-C 3.55Å; H380-R383 WeakPolarHBondContact O-CA 3.42Å; H380-R383 WeakPolarHBondContact O-CB 3.44Å; H380-R383 PolarHBondContact O-N 3.01Å; L381-R383 PolarHBondContact O-N 3.26Å
384	V	65.6	Low	66	Low	13 Å²	13	61.2 Å²	61.2	8%	0.079	32%	0.324	C	S	.	.			trans	-89.3	121.7	-177.3	172.6	0	0	0	0	110.5	H380 L381 L386 K445	H380-V384 WeakPolarHBondContact CD2-CG2 3.48Å; H380-V384 WeakPolarHBondContact NE2-CG2 3.47Å; H380-V384 VanDerWaalsContact O-CG2 3.24Å; H380-V384 WeakPolarHBondContact O-CG2 3.21Å; H380-V384 PolarHBondContact O-N 2.8Å; H380-V384 VanDerWaalsContact O-N 3.1Å; L381-V384 PolarHBondContact O-N 3.28Å; V384-L386 HydrophobicContact CG1-CD2 3.81Å; V384-L386 HydrophobicContact CG1-CG 4.31Å; V384-K445 HydrophobicContact CG1-CD 3.74Å
385	W	70	Confident	68.5	Low	159 Å²	159	58 Å²	58	60%	0.602	30%	0.304	S	S	*	.			trans	-107	125.2	167.2	-58.3	-6.7	0	0	0	108.8	I387	W385-I387 HydrophobicContact CB-CG1 4.36Å
386	L	77.7	Confident	70.6	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.8	172.7	-51.9	172.3	0	0	0	108.5	T341 I342 F344 V384 L405 W417 L419 K445	T341-L386 WeakPolarHBondContact CA-O 3.34Å; I342-L386 HydrophobicContact CB-CB 4.06Å; I342-L386 HydrophobicContact CB-CD1 4.33Å; I342-L386 HydrophobicContact CD1-CB 4.24Å; I342-L386 HydrophobicContact CD1-CD1 4.3Å; I342-L386 HydrophobicContact CG1-CB 4.47Å; I342-L386 PolarHBondContact N-O 3.22Å; I342-L386 PolarHBondContact O-N 2.86Å; I342-L386 VanDerWaalsContact O-N 3.13Å; F344-L386 HydrophobicContact CE2-CD1 3.97Å; F344-L386 HydrophobicContact CE2-CG 4.23Å; F344-L386 HydrophobicContact CZ-CD1 3.9Å; V384-L386 HydrophobicContact CG1-CD2 3.81Å; V384-L386 HydrophobicContact CG1-CG 4.31Å; L386-L405 HydrophobicContact CD1-CD2 3.57Å; L386-W417 HydrophobicContact CB-CD2 4.3Å; L386-W417 HydrophobicContact CB-CE3 4.01Å; L386-W417 HydrophobicContact CB-CZ3 4.11Å; L386-W417 HydrophobicContact CD1-CB 4Å; L386-W417 HydrophobicContact CD1-CD2 4.08Å; L386-W417 HydrophobicContact CD1-CE3 4.34Å; L386-W417 HydrophobicContact CD1-CG 3.91Å; L386-W417 HydrophobicContact CD2-CE3 4.02Å; L386-W417 HydrophobicContact CG-CE3 4.36Å; L386-L419 HydrophobicContact CD1-CD2 4.11Å; L386-K445 HydrophobicContact CD2-CB 3.63Å; L386-K445 HydrophobicContact CD2-CD 3.8Å; L386-K445 HydrophobicContact CD2-CG 4.21Å
387	I	80.3	Confident	72.5	Confident	105 Å²	105	49.6 Å²	49.6	54%	0.538	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.4	-178.7	-45.9	-176.8	0	0	0	107.4	T341 W385	T341-I387 HydrophobicContact CG2-CD1 4.15Å; T341-I387 HydrophobicContact CG2-CG1 3.96Å; W385-I387 HydrophobicContact CB-CG1 4.36Å
388	G	76.3	Confident	74.4	Confident	33 Å²	33	48.1 Å²	48.1	34%	0.34	25%	0.25	S	S	.	.			trans	161.6	-21.4	174.3	0	0	0	0	0	115.2	R415	G388-R415 PolarHBondContact O-NH1 2.9Å; G388-R415 PolarHBondContact O-NH2 3.09Å
389	H	82.8	Confident	75.9	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.065	24%	0.238	C	C	.	.			trans	-69.3	136.2	170.9	-83.8	-65	0	0	0	111.1	I393 S407 S409 D411 S413 R415 W417	H389-I393 HydrophobicContact CB-CG1 4.24Å; H389-S407 PolarHBondContact CD2-OG 2.88Å; H389-S407 PolarHBondContact NE2-OG 3.19Å; H389-S409 WeakPolarHBondContact CE1-CB 3.39Å; H389-S409 WeakPolarHBondContact ND1-CB 3.31Å; H389-S409 PolarHBondContact ND1-OG 3.06Å; H389-D411 VanDerWaalsContact CA-OD2 3.25Å; H389-D411 WeakPolarHBondContact CA-OD2 3.48Å; H389-D411 WeakPolarHBondContact CB-OD2 3.3Å; H389-D411 IonicContact CE1-OD1 3.86Å; H389-D411 IonicContact CE1-OD2 3.38Å; H389-D411 IonicContact CG-OD2 2.82Å; H389-D411 IonicContact ND1-OD1 2.72Å; H389-D411 PolarHBondContact ND1-OD1 2.91Å; H389-D411 IonicContact ND1-OD2 3.86Å; H389-D411 PolarHBondContact ND1-OD2 3.23Å; H389-S413 PolarHBondContact CE1-OG 2.96Å; H389-S413 VanDerWaalsContact CE1-OG 3.28Å; H389-S413 PolarHBondContact ND1-OG 2.75Å; H389-R415 VanDerWaalsContact CE1-CD 3.44Å; H389-R415 WeakPolarHBondContact CE1-CD 3.47Å; H389-R415 VanDerWaalsContact CE1-CG 3.48Å; H389-R415 WeakPolarHBondContact CE1-CG 3.14Å; H389-W417 AromaticContact CD2-CZ2 3.96Å
390	A	81.2	Confident	76.6	Confident	82 Å²	82	45.1 Å²	45.1	68%	0.678	23%	0.231	S	C	*	.	S	Bend	trans	-84.8	-18.6	173	0	0	0	0	0	111.9	D411	A390-D411 HydrophobicContact CB-CB 4.05Å; A390-D411 PolarHBondContact N-OD2 2.72Å
391	G	76.9	Confident	77.2	Confident	11 Å²	11	48.3 Å²	48.3	11%	0.113	24%	0.243	C	C	.	.	S	Bend	trans	-119.9	175.6	-174	0	0	0	0	0	114.4	R340 I393 S409 D411	R340-G391 VanDerWaalsContact CD-C 3.42Å; R340-G391 WeakPolarHBondContact CD-O 3.16Å; G391-I393 PolarHBondContact O-N 3.24Å; G391-S409 WeakPolarHBondContact CA-OG 3.49Å; G391-S409 PolarHBondContact O-OG 2.99Å; G391-S409 VanDerWaalsContact O-OG 3.06Å; G391-D411 PolarHBondContact N-OD2 2.97Å
392	S	82.6	Confident	77.8	Confident	10 Å²	10	50.5 Å²	50.5	7%	0.07	26%	0.255	C	S	.	.			trans	-61.5	120.4	175.7	-160.3	0	0	0	0	112.6	R340 K394 S409 Y410	R340-S392 PolarHBondContact NH1-OG 3.49Å; R340-S392 VanDerWaalsContact NH2-CB 3.3Å; S392-K394 PolarHBondContact O-N 3.06Å; S392-S409 CarbonylContact O-C 3.53Å; S392-S409 WeakPolarHBondContact O-CA 3.4Å; S392-S409 PolarHBondContact O-OG 2.63Å; S392-Y410 PolarHBondContact O-N 2.85Å
393	I	85.2	Confident	78.7	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	114.9	168	-55.6	171.8	0	0	0	107.9	V320 C333 I342 H389 G391 L396 G408	V320-I393 WeakPolarHBondContact CG2-O 3.32Å; C333-I393 HydrophobicContact CB-CB 3.99Å; C333-I393 HydrophobicContact CB-CD1 4.31Å; C333-I393 HydrophobicContact CB-CG2 4.3Å; I342-I393 HydrophobicContact CD1-CD1 3.78Å; I342-I393 HydrophobicContact CG1-CD1 3.36Å; H389-I393 HydrophobicContact CB-CG1 4.24Å; G391-I393 PolarHBondContact O-N 3.24Å; I393-L396 HydrophobicContact CG2-CD2 3.67Å; I393-L396 HydrophobicContact CG2-CG 3.91Å; I393-G408 WeakPolarHBondContact CA-O 3.45Å
394	K	85.8	Confident	79.9	Confident	53 Å²	53	40.3 Å²	40.3	23%	0.23	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-19	-175.6	177	62.1	-168.4	101.7	0	113.2	V320 S392 G408 Y410 V457 L458	V320-K394 WeakPolarHBondContact CG2-O 3.22Å; S392-K394 PolarHBondContact O-N 3.06Å; K394-G408 PolarHBondContact N-O 3.23Å; K394-Y410 HydrophobicContact CB-CD1 3.96Å; K394-Y410 HydrophobicContact CB-CE1 3.52Å; K394-Y410 HydrophobicContact CD-CE1 4.12Å; K394-Y410 HydrophobicContact CG-CE1 3.76Å; K394-V457 WeakPolarHBondContact CB-O 3.29Å; K394-L458 HydrophobicContact CG-CD2 4.26Å; K394-L458 WeakPolarHBondContact CG-O 3.46Å
395	T	89.5	Confident	81	Confident	17 Å²	17	39.7 Å²	39.7	10%	0.104	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	144	-179.3	-169.2	0	0	0	0	110.4	G408 V457 I460	T395-G408 PolarHBondContact N-O 3.45Å; T395-G408 PolarHBondContact O-N 3.18Å; T395-V457 HydrophobicContact CG2-CG1 4.35Å; T395-I460 HydrophobicContact CG2-CB 4.12Å; T395-I460 HydrophobicContact CG2-CD1 4.14Å; T395-I460 HydrophobicContact CG2-CG1 3.7Å; T395-I460 HydrophobicContact CG2-CG2 3.76Å; T395-I460 WeakPolarHBondContact OG1-CG1 3.47Å; T395-I460 PolarHBondContact OG1-N 3.4Å
396	L	91	Very high	82	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145	-180	-72.6	174.2	0	0	0	108.2	V320 H322 A331 I342 I393 L405 L406	V320-L396 HydrophobicContact CB-CD1 4.36Å; V320-L396 HydrophobicContact CB-CG 4.46Å; V320-L396 HydrophobicContact CG1-CB 4.04Å; V320-L396 HydrophobicContact CG1-CD1 4.27Å; V320-L396 HydrophobicContact CG1-CG 4.04Å; H322-L396 HydrophobicContact CB-CB 4.03Å; H322-L396 PolarHBondContact CD2-O 2.96Å; A331-L396 HydrophobicContact CB-CD1 4.38Å; I342-L396 HydrophobicContact CD1-CD2 4Å; I342-L396 HydrophobicContact CG1-CD2 4.37Å; I342-L396 HydrophobicContact CG2-CD1 4.4Å; I393-L396 HydrophobicContact CG2-CD2 3.67Å; I393-L396 HydrophobicContact CG2-CG 3.91Å; L396-L405 HydrophobicContact CD2-CD1 4.39Å; L396-L405 HydrophobicContact CD2-CD2 4.33Å; L396-L406 CarbonylContact C-O 3.59Å; L396-L406 WeakPolarHBondContact CA-O 3.25Å
397	W	89.1	Confident	82.6	Confident	22 Å²	22	32 Å²	32	8%	0.083	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	116.6	168.3	-171.7	-75.8	0	0	0	109	H322 L405 L406 I460 W461 L462	H322-W397 AromaticContact CE1-CD2 3.91Å; H322-W397 AromaticContact NE2-CD2 3.66Å; H322-W397 AromaticContact NE2-CE3 3.49Å; H322-W397 AromaticContact NE2-CZ3 3.91Å; W397-L405 WeakPolarHBondContact O-CA 3.36Å; W397-L405 WeakPolarHBondContact O-CD1 3.4Å; W397-L406 HydrophobicContact CB-CB 4.27Å; W397-L406 PolarHBondContact N-O 3Å; W397-L406 PolarHBondContact O-N 2.97Å; W397-I460 HydrophobicContact CB-CD1 3.91Å; W397-I460 HydrophobicContact CB-CG1 4.22Å; W397-W461 AromaticContact CH2-CD2 4Å; W397-W461 HydrophobicContact CH2-CD2 4Å; W397-W461 AromaticContact CH2-CE2 3.91Å; W397-W461 HydrophobicContact CH2-CE3 4.49Å; W397-W461 HydrophobicContact CH2-CG 4.33Å; W397-W461 HydrophobicContact CH2-CZ2 4.39Å; W397-W461 AromaticContact CZ3-CD2 3.71Å; W397-W461 HydrophobicContact CZ3-CD2 3.71Å; W397-W461 AromaticContact CZ3-CE3 3.93Å; W397-W461 HydrophobicContact CZ3-CE3 3.93Å; W397-W461 HydrophobicContact CZ3-CG 4.01Å; W397-L462 HydrophobicContact CD2-CB 4.07Å; W397-L462 HydrophobicContact CG-CB 4.05Å; W397-L462 HydrophobicContact CZ2-CB 4.33Å; W397-L462 WeakPolarHBondContact CZ2-O 3.33Å
398	L	85.7	Confident	83.1	Confident	2 Å²	2	27 Å²	27	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.8	179.7	177.9	64.6	0	0	0	109.6	H322 A331 F344 V400 L405 L419	H322-L398 PolarHBondContact ND1-N 3.33Å; H322-L398 VanDerWaalsContact ND1-N 3.13Å; A331-L398 HydrophobicContact CB-CD2 4.27Å; F344-L398 HydrophobicContact CE1-CD1 4.15Å; L398-V400 HydrophobicContact CD1-CG2 4.27Å; L398-V400 HydrophobicContact CD2-CG2 4Å; L398-V400 HydrophobicContact CG-CG2 3.95Å; L398-L405 HydrophobicContact CB-CD1 3.84Å; L398-L405 HydrophobicContact CD1-CB 4.41Å; L398-L405 HydrophobicContact CD1-CD1 3.95Å; L398-L405 HydrophobicContact CG-CD1 4.49Å; L398-L419 HydrophobicContact CD1-CD1 3.48Å; L398-L419 VanDerWaalsContact CD1-CD1 3.48Å
399	D	81.5	Confident	83.7	Confident	5 Å²	5	25.4 Å²	25.4	3%	0.027	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	107.3	169.3	-171.3	-34.7	0	0	0	108.7	K401 L402 Q403 I404 Q464	D399-K401 WeakPolarHBondContact OD1-CB 3.34Å; D399-K401 PolarHBondContact OD1-N 2.8Å; D399-L402 HydrophobicContact CB-CB 4.24Å; D399-L402 PolarHBondContact OD1-N 3.48Å; D399-L402 WeakPolarHBondContact OD2-CD1 3.44Å; D399-Q403 PolarHBondContact O-N 3.3Å; D399-Q403 VanDerWaalsContact O-N 3.08Å; D399-I404 HydrophobicContact CB-CG1 4Å; D399-I404 PolarHBondContact N-O 3.08Å; D399-I404 PolarHBondContact O-N 3.48Å; D399-Q464 PolarHBondContact OD2-NE2 3.48Å
400	V	70.9	Confident	84	Confident	39 Å²	39	28.6 Å²	28.6	24%	0.236	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-29	-175.7	176	0	0	0	0	111.3	D324 S327 L398 Q403	D324-V400 HydrophobicContact CB-CB 4.41Å; D324-V400 HydrophobicContact CB-CG2 4Å; D324-V400 PolarHBondContact OD2-N 3.15Å; S327-V400 VanDerWaalsContact CB-CG2 3.42Å; L398-V400 HydrophobicContact CD1-CG2 4.27Å; L398-V400 HydrophobicContact CD2-CG2 4Å; L398-V400 HydrophobicContact CG-CG2 3.95Å; V400-Q403 WeakPolarHBondContact O-CG 3.19Å; V400-Q403 PolarHBondContact O-N 2.81Å
401	K	68.8	Low	84.3	Confident	135 Å²	135	26.2 Å²	26.2	59%	0.587	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-45.5	176.6	-178.7	-178.9	177.4	-178.4	0	110.9	D399 Q403	D399-K401 WeakPolarHBondContact OD1-CB 3.34Å; D399-K401 PolarHBondContact OD1-N 2.8Å; K401-Q403 PolarHBondContact O-N 3.37Å
402	L	73.2	Confident	85	Confident	54 Å²	54	27.9 Å²	27.9	28%	0.283	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.3	176.2	-63.8	-179.3	0	0	0	112.5	D399 I404 Y506	D399-L402 HydrophobicContact CB-CB 4.24Å; D399-L402 PolarHBondContact OD1-N 3.48Å; D399-L402 WeakPolarHBondContact OD2-CD1 3.44Å; L402-I404 HydrophobicContact CB-CD1 4Å; L402-I404 HydrophobicContact CB-CG1 3.79Å; L402-I404 HydrophobicContact CB-CG2 4.45Å; L402-I404 HydrophobicContact CD1-CD1 3.86Å; L402-I404 HydrophobicContact CD1-CG1 4.46Å; L402-I404 WeakPolarHBondContact O-CG2 3.43Å; L402-I404 PolarHBondContact O-N 2.71Å; L402-Y506 HydrophobicContact CD1-CD2 3.71Å; L402-Y506 HydrophobicContact CD1-CE2 3.49Å; L402-Y506 VanDerWaalsContact CD1-CE2 3.49Å; L402-Y506 HydrophobicContact CD2-CE2 3.78Å; L402-Y506 HydrophobicContact CG-CE2 4.26Å
403	Q	78.8	Confident	85.4	Confident	69 Å²	69	27.6 Å²	27.6	32%	0.322	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	40.1	-173.4	-59.9	-175.6	-14.9	0	0	112.3	F377 D399 V400 K401 L419 S420	F377-Q403 HydrophobicContact CZ-CG 4.27Å; D399-Q403 PolarHBondContact O-N 3.3Å; D399-Q403 VanDerWaalsContact O-N 3.08Å; V400-Q403 WeakPolarHBondContact O-CG 3.19Å; V400-Q403 PolarHBondContact O-N 2.81Å; K401-Q403 PolarHBondContact O-N 3.37Å; Q403-L419 HydrophobicContact CB-CB 4.36Å; Q403-L419 WeakPolarHBondContact O-CB 3.41Å; Q403-L419 PolarHBondContact O-N 2.95Å; Q403-S420 VanDerWaalsContact OE1-CA 3.31Å
404	I	84.9	Confident	85.8	Confident	14 Å²	14	27.6 Å²	27.6	7%	0.072	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	152.3	178.4	65.2	178.6	0	0	0	111.6	D399 L402 L416 W417 L462 L522	D399-I404 HydrophobicContact CB-CG1 4Å; D399-I404 PolarHBondContact N-O 3.08Å; D399-I404 PolarHBondContact O-N 3.48Å; L402-I404 HydrophobicContact CB-CD1 4Å; L402-I404 HydrophobicContact CB-CG1 3.79Å; L402-I404 HydrophobicContact CB-CG2 4.45Å; L402-I404 HydrophobicContact CD1-CD1 3.86Å; L402-I404 HydrophobicContact CD1-CG1 4.46Å; L402-I404 WeakPolarHBondContact O-CG2 3.43Å; L402-I404 PolarHBondContact O-N 2.71Å; I404-L416 HydrophobicContact CB-CD1 3.77Å; I404-L416 HydrophobicContact CD1-CD1 4.02Å; I404-L416 HydrophobicContact CG1-CD1 4.34Å; I404-L416 HydrophobicContact CG2-CD1 4.05Å; I404-W417 VanDerWaalsContact CA-O 3.3Å; I404-W417 WeakPolarHBondContact CA-O 3.05Å; I404-L462 HydrophobicContact CD1-CD2 4.35Å; I404-L522 HydrophobicContact CD1-CD1 4.49Å; I404-L522 HydrophobicContact CD1-CD2 3.88Å
405	L	88.3	Confident	86.1	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.4	166.3	179.4	80.5	0	0	0	108.7	A331 I342 F344 L386 L396 W397 L398 L416 W417 L419	A331-L405 HydrophobicContact CB-CD1 4.02Å; I342-L405 HydrophobicContact CB-CD2 4.48Å; I342-L405 HydrophobicContact CD1-CD2 3.68Å; I342-L405 HydrophobicContact CG2-CD2 3.83Å; F344-L405 HydrophobicContact CZ-CD2 4.23Å; L386-L405 HydrophobicContact CD1-CD2 3.57Å; L396-L405 HydrophobicContact CD2-CD1 4.39Å; L396-L405 HydrophobicContact CD2-CD2 4.33Å; W397-L405 WeakPolarHBondContact O-CA 3.36Å; W397-L405 WeakPolarHBondContact O-CD1 3.4Å; L398-L405 HydrophobicContact CB-CD1 3.84Å; L398-L405 HydrophobicContact CD1-CB 4.41Å; L398-L405 HydrophobicContact CD1-CD1 3.95Å; L398-L405 HydrophobicContact CG-CD1 4.49Å; L405-L416 CarbonylContact O-C 3.52Å; L405-L416 WeakPolarHBondContact O-CA 3.19Å; L405-W417 HydrophobicContact CB-CB 4.16Å; L405-W417 HydrophobicContact CB-CG 4.49Å; L405-W417 HydrophobicContact CD2-CG 4.46Å; L405-W417 PolarHBondContact N-O 3.11Å; L405-W417 VanDerWaalsContact O-CD1 3.25Å; L405-W417 PolarHBondContact O-N 3.46Å; L405-L419 HydrophobicContact CB-CD1 4.31Å; L405-L419 HydrophobicContact CB-CD2 4.47Å
406	L	91.2	Very high	86.2	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.6	165.5	-69.8	166.6	0	0	0	109.4	L396 W397 R415 L416 F450 I460 L462 F508 L522	L396-L406 CarbonylContact C-O 3.59Å; L396-L406 WeakPolarHBondContact CA-O 3.25Å; W397-L406 HydrophobicContact CB-CB 4.27Å; W397-L406 PolarHBondContact N-O 3Å; W397-L406 PolarHBondContact O-N 2.97Å; L406-R415 CarbonylContact C-O 3.38Å; L406-R415 VanDerWaalsContact CA-O 3.3Å; L406-R415 WeakPolarHBondContact CA-O 3.46Å; L406-L416 HydrophobicContact CD2-CB 3.96Å; L406-L416 HydrophobicContact CD2-CD1 3.67Å; L406-L416 HydrophobicContact CD2-CG 4.42Å; L406-L416 HydrophobicContact CG-CD1 4.11Å; L406-F450 HydrophobicContact CD2-CE2 4.05Å; L406-I460 HydrophobicContact CB-CD1 3.63Å; L406-I460 WeakPolarHBondContact O-CD1 3.24Å; L406-L462 HydrophobicContact CD1-CB 4.34Å; L406-L462 HydrophobicContact CD1-CD1 4.31Å; L406-F508 HydrophobicContact CD1-CB 4.24Å; L406-F508 HydrophobicContact CD1-CD1 4.18Å; L406-F508 HydrophobicContact CD1-CD2 4.44Å; L406-F508 HydrophobicContact CD1-CG 4.05Å; L406-F508 HydrophobicContact CD2-CE1 4.5Å; L406-L522 HydrophobicContact CD1-CD1 4.24Å; L406-L522 HydrophobicContact CD2-CD1 4.29Å
407	S	90.9	Very high	86	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.1	174.5	60	0	0	0	0	111.3	H389 I414 R415 W417	H389-S407 PolarHBondContact CD2-OG 2.88Å; H389-S407 PolarHBondContact NE2-OG 3.19Å; S407-I414 CarbonylContact O-C 3.57Å; S407-I414 VanDerWaalsContact O-CA 3.29Å; S407-I414 WeakPolarHBondContact O-CA 3.28Å; S407-R415 PolarHBondContact N-O 3.47Å; S407-R415 PolarHBondContact O-N 3.31Å; S407-W417 PolarHBondContact OG-NE1 3.1Å
408	G	90.7	Very high	85.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.1	172.7	0	0	0	0	0	110.5	I393 K394 T395	I393-G408 WeakPolarHBondContact CA-O 3.45Å; K394-G408 PolarHBondContact N-O 3.23Å; T395-G408 PolarHBondContact N-O 3.45Å; T395-G408 PolarHBondContact O-N 3.18Å
409	S	89.1	Confident	85.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	163.6	-170.1	173.8	0	0	0	0	113.2	H389 G391 S392 D411 T412 S413 V457	H389-S409 WeakPolarHBondContact CE1-CB 3.39Å; H389-S409 WeakPolarHBondContact ND1-CB 3.31Å; H389-S409 PolarHBondContact ND1-OG 3.06Å; G391-S409 WeakPolarHBondContact CA-OG 3.49Å; G391-S409 PolarHBondContact O-OG 2.99Å; G391-S409 VanDerWaalsContact O-OG 3.06Å; S392-S409 CarbonylContact O-C 3.53Å; S392-S409 WeakPolarHBondContact O-CA 3.4Å; S392-S409 PolarHBondContact O-OG 2.63Å; S409-D411 WeakPolarHBondContact CB-OD1 3.47Å; S409-D411 PolarHBondContact O-N 3.39Å; S409-D411 PolarHBondContact OG-N 3.44Å; S409-D411 PolarHBondContact OG-OD1 2.69Å; S409-D411 VanDerWaalsContact OG-OD1 3.13Å; S409-D411 PolarHBondContact OG-OD2 3.2Å; S409-T412 PolarHBondContact O-N 3.08Å; S409-S413 PolarHBondContact N-O 2.85Å; S409-V457 PolarHBondContact O-N 3.32Å
410	Y	88	Confident	84.7	Confident	80 Å²	80	28 Å²	28	31%	0.314	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-7.1	171.4	-70.4	5.1	0	0	0	113.2	R318 S392 K394 T412 T456 L458	R318-Y410 PolarHBondContact NH1-OH 3.13Å; S392-Y410 PolarHBondContact O-N 2.85Å; K394-Y410 HydrophobicContact CB-CD1 3.96Å; K394-Y410 HydrophobicContact CB-CE1 3.52Å; K394-Y410 HydrophobicContact CD-CE1 4.12Å; K394-Y410 HydrophobicContact CG-CE1 3.76Å; Y410-T412 PolarHBondContact O-N 3.4Å; Y410-T456 HydrophobicContact CD1-CG2 3.97Å; Y410-T456 HydrophobicContact CD2-CG2 4.4Å; Y410-T456 HydrophobicContact CG-CG2 3.8Å; Y410-L458 HydrophobicContact CE1-CD2 4.3Å
411	D	87.6	Confident	84.2	Confident	33 Å²	33	28.4 Å²	28.4	18%	0.176	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	20.2	169.7	62.1	19.7	0	0	0	113.1	H389 A390 G391 S409 S413	H389-D411 VanDerWaalsContact CA-OD2 3.25Å; H389-D411 WeakPolarHBondContact CA-OD2 3.48Å; H389-D411 WeakPolarHBondContact CB-OD2 3.3Å; H389-D411 IonicContact CE1-OD1 3.86Å; H389-D411 IonicContact CE1-OD2 3.38Å; H389-D411 IonicContact CG-OD2 2.82Å; H389-D411 IonicContact ND1-OD1 2.72Å; H389-D411 PolarHBondContact ND1-OD1 2.91Å; H389-D411 IonicContact ND1-OD2 3.86Å; H389-D411 PolarHBondContact ND1-OD2 3.23Å; A390-D411 HydrophobicContact CB-CB 4.05Å; A390-D411 PolarHBondContact N-OD2 2.72Å; G391-D411 PolarHBondContact N-OD2 2.97Å; S409-D411 WeakPolarHBondContact CB-OD1 3.47Å; S409-D411 PolarHBondContact O-N 3.39Å; S409-D411 PolarHBondContact OG-N 3.44Å; S409-D411 PolarHBondContact OG-OD1 2.69Å; S409-D411 VanDerWaalsContact OG-OD1 3.13Å; S409-D411 PolarHBondContact OG-OD2 3.2Å; D411-S413 VanDerWaalsContact CG-OG 3.29Å; D411-S413 PolarHBondContact O-N 2.82Å; D411-S413 WeakPolarHBondContact OD1-CB 3.3Å; D411-S413 PolarHBondContact OD1-N 3.43Å; D411-S413 PolarHBondContact OD1-OG 3.37Å
412	T	91.4	Very high	83.2	Confident	46 Å²	46	26.9 Å²	26.9	28%	0.282	14%	0.137	S	C	.	.	S	Bend	trans	62.2	-4.5	-177.4	80.6	0	0	0	0	115.7	S409 Y410 D455	S409-T412 PolarHBondContact O-N 3.08Å; Y410-T412 PolarHBondContact O-N 3.4Å; T412-D455 WeakPolarHBondContact CA-O 3.26Å; T412-D455 WeakPolarHBondContact CB-O 3.18Å
413	S	91.3	Very high	81.9	Confident	4 Å²	4	29.6 Å²	29.6	3%	0.028	16%	0.156	C	C	.	.			trans	-92.9	145.8	-177.6	77.6	0	0	0	0	112.7	H389 S409 D411 R415	H389-S413 PolarHBondContact CE1-OG 2.96Å; H389-S413 VanDerWaalsContact CE1-OG 3.28Å; H389-S413 PolarHBondContact ND1-OG 2.75Å; S409-S413 PolarHBondContact N-O 2.85Å; D411-S413 VanDerWaalsContact CG-OG 3.29Å; D411-S413 PolarHBondContact O-N 2.82Å; D411-S413 WeakPolarHBondContact OD1-CB 3.3Å; D411-S413 PolarHBondContact OD1-N 3.43Å; D411-S413 PolarHBondContact OD1-OG 3.37Å; S413-R415 PolarHBondContact OG-NE 2.92Å
414	I	93.6	Very high	79.7	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.8	163.8	-53	173.2	0	0	0	107.1	S407 I449 F450 V457 I460 F508 S510 W520	S407-I414 CarbonylContact O-C 3.57Å; S407-I414 VanDerWaalsContact O-CA 3.29Å; S407-I414 WeakPolarHBondContact O-CA 3.28Å; I414-I449 WeakPolarHBondContact O-CA 3.13Å; I414-F450 HydrophobicContact CB-CB 4.18Å; I414-F450 HydrophobicContact CB-CD2 4.15Å; I414-F450 HydrophobicContact CG2-CD2 4.09Å; I414-F450 PolarHBondContact N-O 3.01Å; I414-F450 WeakPolarHBondContact O-CD2 3.36Å; I414-F450 PolarHBondContact O-N 3.2Å; I414-V457 HydrophobicContact CD1-CG1 4.15Å; I414-V457 HydrophobicContact CD1-CG2 4.35Å; I414-V457 HydrophobicContact CG1-CB 4.47Å; I414-V457 HydrophobicContact CG1-CG1 4.06Å; I414-V457 HydrophobicContact CG1-CG2 3.87Å; I414-I460 HydrophobicContact CD1-CG2 4.26Å; I414-I460 HydrophobicContact CG2-CG2 4.49Å; I414-F508 HydrophobicContact CD1-CE2 3.99Å; I414-F508 HydrophobicContact CG2-CE2 4.02Å; I414-F508 HydrophobicContact CG2-CZ 4.26Å; I414-S510 WeakPolarHBondContact CD1-OG 3.27Å; I414-W520 HydrophobicContact CD1-CZ2 4.4Å
415	R	92.1	Very high	77.2	Confident	32 Å²	32	37.6 Å²	37.6	12%	0.121	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.8	-177.6	-65.4	-176.5	-177.3	-134.4	4.3	111.3	G388 H389 L406 S407 S413 W417 R448 I449	G388-R415 PolarHBondContact O-NH1 2.9Å; G388-R415 PolarHBondContact O-NH2 3.09Å; H389-R415 VanDerWaalsContact CE1-CD 3.44Å; H389-R415 WeakPolarHBondContact CE1-CD 3.47Å; H389-R415 VanDerWaalsContact CE1-CG 3.48Å; H389-R415 WeakPolarHBondContact CE1-CG 3.14Å; L406-R415 CarbonylContact C-O 3.38Å; L406-R415 VanDerWaalsContact CA-O 3.3Å; L406-R415 WeakPolarHBondContact CA-O 3.46Å; S407-R415 PolarHBondContact N-O 3.47Å; S407-R415 PolarHBondContact O-N 3.31Å; S413-R415 PolarHBondContact OG-NE 2.92Å; R415-W417 HydrophobicContact CB-CZ2 3.8Å; R415-W417 HydrophobicContact CG-CZ2 4.3Å; R415-R448 WeakPolarHBondContact CA-O 3.04Å; R415-I449 HydrophobicContact CG-CG1 4.2Å; R415-I449 HydrophobicContact CG-CG2 4.15Å
416	L	91.8	Very high	74.5	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.9	169.8	178.8	66	0	0	0	108.9	I404 L405 L406 C446 I447 R448 F450 L522	I404-L416 HydrophobicContact CB-CD1 3.77Å; I404-L416 HydrophobicContact CD1-CD1 4.02Å; I404-L416 HydrophobicContact CG1-CD1 4.34Å; I404-L416 HydrophobicContact CG2-CD1 4.05Å; L405-L416 CarbonylContact O-C 3.52Å; L405-L416 WeakPolarHBondContact O-CA 3.19Å; L406-L416 HydrophobicContact CD2-CB 3.96Å; L406-L416 HydrophobicContact CD2-CD1 3.67Å; L406-L416 HydrophobicContact CD2-CG 4.42Å; L406-L416 HydrophobicContact CG-CD1 4.11Å; L416-C446 CarbonylContact O-C 3.58Å; L416-I447 HydrophobicContact CD2-CB 4.39Å; L416-I447 HydrophobicContact CD2-CD1 4.25Å; L416-I447 HydrophobicContact CG-CB 4.4Å; L416-I447 HydrophobicContact CG-CD1 4.2Å; L416-I447 PolarHBondContact O-N 3.32Å; L416-R448 HydrophobicContact CB-CB 4.16Å; L416-R448 HydrophobicContact CD2-CB 4.41Å; L416-R448 PolarHBondContact N-O 3.06Å; L416-R448 PolarHBondContact O-N 2.87Å; L416-F450 HydrophobicContact CB-CE2 3.91Å; L416-F450 HydrophobicContact CB-CZ 4.44Å; L416-L522 HydrophobicContact CD1-CD1 4.21Å; L416-L522 HydrophobicContact CD2-CD1 4.41Å; L416-L522 HydrophobicContact CD2-CD2 4.43Å; L416-L522 HydrophobicContact CD2-CG 4.05Å
417	W	87.7	Confident	71.7	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.011	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.3	-179.7	-47.8	86	0	0	0	110.2	I342 L386 H389 I404 L405 S407 R415 K445 C446	I342-W417 HydrophobicContact CD1-CZ2 4.45Å; L386-W417 HydrophobicContact CB-CD2 4.3Å; L386-W417 HydrophobicContact CB-CE3 4.01Å; L386-W417 HydrophobicContact CB-CZ3 4.11Å; L386-W417 HydrophobicContact CD1-CB 4Å; L386-W417 HydrophobicContact CD1-CD2 4.08Å; L386-W417 HydrophobicContact CD1-CE3 4.34Å; L386-W417 HydrophobicContact CD1-CG 3.91Å; L386-W417 HydrophobicContact CD2-CE3 4.02Å; L386-W417 HydrophobicContact CG-CE3 4.36Å; H389-W417 AromaticContact CD2-CZ2 3.96Å; I404-W417 VanDerWaalsContact CA-O 3.3Å; I404-W417 WeakPolarHBondContact CA-O 3.05Å; L405-W417 HydrophobicContact CB-CB 4.16Å; L405-W417 HydrophobicContact CB-CG 4.49Å; L405-W417 HydrophobicContact CD2-CG 4.46Å; L405-W417 PolarHBondContact N-O 3.11Å; L405-W417 VanDerWaalsContact O-CD1 3.25Å; L405-W417 PolarHBondContact O-N 3.46Å; S407-W417 PolarHBondContact OG-NE1 3.1Å; R415-W417 HydrophobicContact CB-CZ2 3.8Å; R415-W417 HydrophobicContact CG-CZ2 4.3Å; W417-K445 CarbonylContact C-O 3.54Å; W417-K445 WeakPolarHBondContact CA-O 3.43Å; W417-C446 HydrophobicContact CD2-CB 4.29Å; W417-C446 HydrophobicContact CE3-CB 3.62Å; W417-C446 HydrophobicContact CH2-CB 4.16Å; W417-C446 HydrophobicContact CZ3-CB 3.55Å
418	N	83	Confident	68.9	Low	42 Å²	42	61.2 Å²	61.2	23%	0.225	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.9	167.9	-163	-7.1	0	0	0	109	S420 K445 I447	N418-S420 VanDerWaalsContact CG-OG 3.24Å; N418-S420 PolarHBondContact ND2-OG 2.82Å; N418-S420 VanDerWaalsContact OD1-CB 3.28Å; N418-S420 WeakPolarHBondContact OD1-CB 3.46Å; N418-S420 PolarHBondContact OD1-N 3.27Å; N418-S420 PolarHBondContact OD1-OG 3.39Å; N418-K445 PolarHBondContact N-O 3.4Å; N418-K445 WeakPolarHBondContact O-CB 3.38Å; N418-K445 WeakPolarHBondContact O-CD 3.5Å; N418-I447 HydrophobicContact CB-CD1 3.55Å; N418-I447 HydrophobicContact CB-CG1 3.57Å
419	L	77.2	Confident	66.1	Low	4 Å²	4	65.8 Å²	65.8	2%	0.021	34%	0.342	C	S	.	.			trans	-99.6	-11.1	173.9	-57.9	-179.7	0	0	0	112.5	F344 F377 L381 L386 L398 Q403 L405	F344-L419 HydrophobicContact CE1-CD1 4.32Å; F344-L419 HydrophobicContact CE1-CD2 4.49Å; F344-L419 HydrophobicContact CE2-CD2 4.19Å; F344-L419 HydrophobicContact CZ-CD1 4.27Å; F344-L419 HydrophobicContact CZ-CD2 3.66Å; F377-L419 VanDerWaalsContact CE2-O 3.32Å; F377-L419 WeakPolarHBondContact CE2-O 3.05Å; L381-L419 HydrophobicContact CD2-CB 4.19Å; L381-L419 HydrophobicContact CD2-CD2 4.34Å; L386-L419 HydrophobicContact CD1-CD2 4.11Å; L398-L419 HydrophobicContact CD1-CD1 3.48Å; L398-L419 VanDerWaalsContact CD1-CD1 3.48Å; Q403-L419 HydrophobicContact CB-CB 4.36Å; Q403-L419 WeakPolarHBondContact O-CB 3.41Å; Q403-L419 PolarHBondContact O-N 2.95Å; L405-L419 HydrophobicContact CB-CD1 4.31Å; L405-L419 HydrophobicContact CB-CD2 4.47Å
420	S	69	Low	63.3	Low	29 Å²	29	69.4 Å²	69.4	20%	0.203	36%	0.361	C	S	.	.			trans	-60.7	138.6	-179.5	77.5	0	0	0	0	112.2	Q403 N418 N422	Q403-S420 VanDerWaalsContact OE1-CA 3.31Å; N418-S420 VanDerWaalsContact CG-OG 3.24Å; N418-S420 PolarHBondContact ND2-OG 2.82Å; N418-S420 VanDerWaalsContact OD1-CB 3.28Å; N418-S420 WeakPolarHBondContact OD1-CB 3.46Å; N418-S420 PolarHBondContact OD1-N 3.27Å; N418-S420 PolarHBondContact OD1-OG 3.39Å; S420-N422 VanDerWaalsContact C-N 3.34Å
421	D	60.6	Low	60.3	Low	46 Å²	46	71.6 Å²	71.6	25%	0.246	38%	0.378	C	S	.	.			trans	-82.3	-11.7	-179.7	-74.8	1.2	0	0	0	114.1	F377 H380 T423 K445	F377-D421 WeakPolarHBondContact CA-OD2 3.35Å; F377-D421 HydrophobicContact CD2-CB 4.09Å; F377-D421 VanDerWaalsContact CD2-CG 3.47Å; F377-D421 WeakPolarHBondContact CD2-OD2 3.43Å; H380-D421 VanDerWaalsContact CB-OD2 3.22Å; H380-D421 WeakPolarHBondContact CB-OD2 3.22Å; H380-D421 VanDerWaalsContact CD2-CG 3.42Å; H380-D421 IonicContact CD2-OD1 2.91Å; H380-D421 PolarHBondContact CD2-OD1 3.06Å; H380-D421 IonicContact CD2-OD2 3.46Å; H380-D421 IonicContact CE1-OD1 3.83Å; H380-D421 IonicContact CG-OD1 3.26Å; H380-D421 IonicContact CG-OD2 2.82Å; H380-D421 IonicContact NE2-OD1 3.25Å; H380-D421 PolarHBondContact NE2-OD1 3.05Å; D421-T423 PolarHBondContact O-N 3.03Å; D421-K445 IonicContact OD1-NZ 3.74Å
422	N	47.9	Very low	57.4	Low	104 Å²	104	76.2 Å²	76.2	56%	0.556	40%	0.399	S	S	*	.			trans	-65.5	92.8	-173.1	-84.1	-14.5	0	0	0	111.8	S420 N424 N425	S420-N422 VanDerWaalsContact C-N 3.34Å; N422-N424 PolarHBondContact O-N 3.28Å; N422-N424 VanDerWaalsContact O-N 3.17Å; N422-N425 HydrophobicContact CB-CB 4.31Å
423	T	44.1	Very low	54.2	Low	111 Å²	111	80.7 Å²	80.7	68%	0.681	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-14	167.2	53.7	0	0	0	0	112.5	D421	D421-T423 PolarHBondContact O-N 3.03Å
424	N	33.6	Very low	51.2	Low	137 Å²	137	84.9 Å²	84.9	73%	0.733	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-7.2	-168.4	-65.5	-1.6	0	0	0	115.7	N422	N422-N424 PolarHBondContact O-N 3.28Å; N422-N424 VanDerWaalsContact O-N 3.17Å
425	N	32.6	Very low	48	Very low	114 Å²	114	91.9 Å²	91.9	61%	0.61	49%	0.491	S	S	*	.			trans	-115.2	49.3	-176.3	-76.6	-2.7	0	0	0	113.3	N422 Q427	N422-N425 HydrophobicContact CB-CB 4.31Å; N425-Q427 PolarHBondContact O-N 2.81Å
426	H	31.9	Very low	44.8	Very low	160 Å²	160	100.8 Å²	100.8	74%	0.741	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	10.8	175	-82	-60.3	0	0	0	115.3
427	Q	32.2	Very low	41.6	Very low	159 Å²	159	107 Å²	107	74%	0.743	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-12.2	-178.6	-80.9	-175.6	-24	0	0	115.8	N425	N425-Q427 PolarHBondContact O-N 2.81Å
428	H	31.2	Very low	38.6	Very low	177 Å²	177	111.5 Å²	111.5	82%	0.819	60%	0.596	S	S	*	*	S	Bend	trans	-107.2	4.3	-172.8	-94.2	-68.6	0	0	0	117.7
429	C	31.4	Very low	36	Very low	96 Å²	96	116.4 Å²	116.4	65%	0.649	62%	0.615	S	S	*	*	S	Bend	trans	-124.6	102.1	172.4	-74.2	0	0	0	0	111
430	L	31.6	Very low	33.7	Very low	76 Å²	76	128.1 Å²	128.1	40%	0.398	66%	0.659	S	S	.	*			trans	66.2	68.7	162.3	-56.9	163.3	0	0	0	114.8	Q432 D523	L430-Q432 VanDerWaalsContact C-N 3.34Å; L430-Q432 PolarHBondContact O-N 3.2Å; L430-D523 HydrophobicContact CD2-CB 3.91Å; L430-D523 WeakPolarHBondContact CD2-OD2 3.38Å
431	N	24.1	Very low	31.8	Very low	126 Å²	126	132.8 Å²	132.8	67%	0.674	68%	0.682	S	S	*	*			trans	-60.1	89.6	165.8	-75.6	-18.4	0	0	0	111.3
432	Q	27.3	Very low	30.9	Very low	131 Å²	131	137 Å²	137	61%	0.612	72%	0.715	S	S	*	*			trans	-142.4	128.3	151.2	-73	-165.2	-15.6	0	0	109.4	L430 T434	L430-Q432 VanDerWaalsContact C-N 3.34Å; L430-Q432 PolarHBondContact O-N 3.2Å; Q432-T434 PolarHBondContact O-N 3.41Å; Q432-T434 VanDerWaalsContact O-N 3.08Å
433	P	25	Very low	30.9	Very low	140 Å²	140	142.5 Å²	142.5	91%	0.909	73%	0.728	S	S	*	*			trans	-81	91.9	-178.3	33	-30.3	0	0	0	108.5
434	T	28.3	Very low	31.5	Very low	92 Å²	92	139.7 Å²	139.7	56%	0.564	71%	0.713	S	S	*	*			trans	-98.6	131.9	170.3	54.4	0	0	0	0	110.1	Q432 K436	Q432-T434 PolarHBondContact O-N 3.41Å; Q432-T434 VanDerWaalsContact O-N 3.08Å; T434-K436 PolarHBondContact O-N 2.86Å
435	N	25.9	Very low	33.3	Very low	147 Å²	147	135.2 Å²	135.2	79%	0.786	69%	0.687	S	S	*	*			trans	-17.5	116.1	-176.8	-77.1	-29.9	0	0	0	116.5	L437	N435-L437 PolarHBondContact O-N 3.18Å
436	K	25.2	Very low	35.7	Very low	219 Å²	219	130.9 Å²	130.9	95%	0.952	67%	0.665	S	S	*	*			trans	-64.9	68.4	167.4	-74.3	177.5	175.1	173.6	0	111.1	T434	T434-K436 PolarHBondContact O-N 2.86Å
437	L	24.1	Very low	38.1	Very low	135 Å²	135	126.5 Å²	126.5	71%	0.707	65%	0.646	S	S	*	*			trans	-95.6	96.7	163.7	-83.1	157	0	0	0	108.8	N435	N435-L437 PolarHBondContact O-N 3.18Å
438	S	25.3	Very low	40.7	Very low	97 Å²	97	120 Å²	120	68%	0.678	62%	0.615	S	S	*	*	S	Bend	trans	49.3	81.6	155.2	66.7	0	0	0	0	118.9
439	F	28.5	Very low	43.5	Very low	144 Å²	144	113.3 Å²	113.3	63%	0.632	59%	0.585	S	S	*	*			trans	-130.9	72.5	142.8	-65.3	-74	0	0	0	108.8	N441	F439-N441 PolarHBondContact O-N 3.47Å
440	R	27.8	Very low	46.3	Very low	250 Å²	250	108.8 Å²	108.8	94%	0.943	55%	0.554	S	S	*	*			trans	-77.1	12.4	178.6	-98.6	-168.3	-176.6	-176.7	2.4	114.8
441	N	29.8	Very low	49	Very low	128 Å²	128	110.8 Å²	110.8	68%	0.684	56%	0.561	S	S	*	*	S	Bend	trans	-102.9	120.2	160.8	-77.9	-9	0	0	0	107.1	F439 R443	F439-N441 PolarHBondContact O-N 3.47Å; N441-R443 PolarHBondContact O-N 2.79Å
442	S	40.4	Very low	51.8	Low	134 Å²	134	106.4 Å²	106.4	94%	0.937	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	27.5	174.8	48.1	0	0	0	0	114.6
443	R	49.8	Very low	54.9	Low	220 Å²	220	100.6 Å²	100.6	83%	0.83	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	-8.7	-174.1	-67.7	-174.7	179.6	166.7	0.6	114.7	N441 K445	N441-R443 PolarHBondContact O-N 2.79Å; R443-K445 PolarHBondContact O-N 2.97Å
444	S	55.9	Low	58.1	Low	52 Å²	52	99.9 Å²	99.9	36%	0.364	51%	0.511	S	S	.	.			trans	-74	99.8	179.9	-168.9	0	0	0	0	110.3	C446	S444-C446 PolarHBondContact O-N 2.93Å
445	K	71.7	Confident	61.2	Low	43 Å²	43	98.6 Å²	98.6	19%	0.187	50%	0.501	C	S	.	.			trans	-71.1	-2.4	174.2	-76.6	-168.9	174.6	-153.8	0	113.4	H380 V384 L386 W417 N418 D421 R443 I447	H380-K445 PolarHBondContact CD2-NZ 3.41Å; H380-K445 PolarHBondContact NE2-NZ 2.83Å; V384-K445 HydrophobicContact CG1-CD 3.74Å; L386-K445 HydrophobicContact CD2-CB 3.63Å; L386-K445 HydrophobicContact CD2-CD 3.8Å; L386-K445 HydrophobicContact CD2-CG 4.21Å; W417-K445 CarbonylContact C-O 3.54Å; W417-K445 WeakPolarHBondContact CA-O 3.43Å; N418-K445 PolarHBondContact N-O 3.4Å; N418-K445 WeakPolarHBondContact O-CB 3.38Å; N418-K445 WeakPolarHBondContact O-CD 3.5Å; D421-K445 IonicContact OD1-NZ 3.74Å; R443-K445 PolarHBondContact O-N 2.97Å; K445-I447 PolarHBondContact O-N 3.38Å
446	C	81.8	Confident	64.3	Low	22 Å²	22	92.8 Å²	92.8	15%	0.149	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	111.4	178	-171.2	0	0	0	0	110.1	L416 W417 S444	L416-C446 CarbonylContact O-C 3.58Å; W417-C446 HydrophobicContact CD2-CB 4.29Å; W417-C446 HydrophobicContact CE3-CB 3.62Å; W417-C446 HydrophobicContact CH2-CB 4.16Å; W417-C446 HydrophobicContact CZ3-CB 3.55Å; S444-C446 PolarHBondContact O-N 2.93Å
447	I	83	Confident	67.6	Low	69 Å²	69	82.3 Å²	82.3	35%	0.354	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-45.9	176.5	-52.7	175.5	0	0	0	109.9	L416 N418 K445	L416-I447 HydrophobicContact CD2-CB 4.39Å; L416-I447 HydrophobicContact CD2-CD1 4.25Å; L416-I447 HydrophobicContact CG-CB 4.4Å; L416-I447 HydrophobicContact CG-CD1 4.2Å; L416-I447 PolarHBondContact O-N 3.32Å; N418-I447 HydrophobicContact CB-CD1 3.55Å; N418-I447 HydrophobicContact CB-CG1 3.57Å; K445-I447 PolarHBondContact O-N 3.38Å
448	R	86.2	Confident	70.8	Confident	23 Å²	23	76.9 Å²	76.9	9%	0.087	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	143.5	-166.7	-172.1	169.2	-66.7	-131	5.8	111.8	R415 L416 F450 D523 H525	R415-R448 WeakPolarHBondContact CA-O 3.04Å; L416-R448 HydrophobicContact CB-CB 4.16Å; L416-R448 HydrophobicContact CD2-CB 4.41Å; L416-R448 PolarHBondContact N-O 3.06Å; L416-R448 PolarHBondContact O-N 2.87Å; R448-F450 HydrophobicContact CG-CE1 4.26Å; R448-F450 HydrophobicContact CG-CE2 4.46Å; R448-F450 HydrophobicContact CG-CZ 4.18Å; R448-D523 VanDerWaalsContact CZ-O 3.3Å; R448-D523 PolarHBondContact NH1-O 2.86Å; R448-D523 PolarHBondContact NH2-O 3.32Å; R448-H525 PolarHBondContact NH1-CD2 2.68Å; R448-H525 PolarHBondContact NH1-NE2 2.98Å
449	I	90.1	Very high	74	Confident	36 Å²	36	72.9 Å²	72.9	19%	0.185	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125	170.8	-46.9	179.3	0	0	0	107.5	I414 R415 H451	I414-I449 WeakPolarHBondContact O-CA 3.13Å; R415-I449 HydrophobicContact CG-CG1 4.2Å; R415-I449 HydrophobicContact CG-CG2 4.15Å; I449-H451 WeakPolarHBondContact CG2-CE1 3.43Å
450	F	91	Very high	77.2	Confident	1 Å²	1	66.5 Å²	66.5	0%	0.004	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.7	173.2	-51.8	-89.9	0	0	0	108.5	L406 I414 L416 R448 F508 W520 L522 E524	L406-F450 HydrophobicContact CD2-CE2 4.05Å; I414-F450 HydrophobicContact CB-CB 4.18Å; I414-F450 HydrophobicContact CB-CD2 4.15Å; I414-F450 HydrophobicContact CG2-CD2 4.09Å; I414-F450 PolarHBondContact N-O 3.01Å; I414-F450 WeakPolarHBondContact O-CD2 3.36Å; I414-F450 PolarHBondContact O-N 3.2Å; L416-F450 HydrophobicContact CB-CE2 3.91Å; L416-F450 HydrophobicContact CB-CZ 4.44Å; R448-F450 HydrophobicContact CG-CE1 4.26Å; R448-F450 HydrophobicContact CG-CE2 4.46Å; R448-F450 HydrophobicContact CG-CZ 4.18Å; F450-F508 HydrophobicContact CD1-CE1 4.35Å; F450-F508 HydrophobicContact CD1-CZ 4.12Å; F450-F508 HydrophobicContact CD2-CE1 4.29Å; F450-F508 AromaticContact CD2-CZ 3.76Å; F450-F508 HydrophobicContact CD2-CZ 3.76Å; F450-F508 AromaticContact CE1-CE1 3.9Å; F450-F508 HydrophobicContact CE1-CE1 3.9Å; F450-F508 HydrophobicContact CE1-CZ 4.13Å; F450-F508 AromaticContact CE2-CE1 3.84Å; F450-F508 HydrophobicContact CE2-CE1 3.84Å; F450-F508 AromaticContact CE2-CZ 3.76Å; F450-F508 HydrophobicContact CE2-CZ 3.76Å; F450-F508 AromaticContact CG-CZ 3.95Å; F450-F508 HydrophobicContact CG-CZ 3.95Å; F450-F508 AromaticContact CZ-CE1 3.64Å; F450-F508 HydrophobicContact CZ-CE1 3.64Å; F450-F508 AromaticContact CZ-CZ 3.97Å; F450-F508 HydrophobicContact CZ-CZ 3.97Å; F450-W520 HydrophobicContact CB-CD2 4.47Å; F450-W520 HydrophobicContact CB-CE3 3.94Å; F450-W520 HydrophobicContact CB-CH2 4.18Å; F450-W520 HydrophobicContact CB-CZ3 3.77Å; F450-W520 AromaticContact CD1-CE3 3.89Å; F450-W520 HydrophobicContact CD1-CE3 3.89Å; F450-W520 HydrophobicContact CD1-CZ3 4.4Å; F450-W520 HydrophobicContact CG-CE3 4.26Å; F450-L522 WeakPolarHBondContact CZ-O 3.36Å; F450-E524 WeakPolarHBondContact CD1-O 3.31Å; F450-E524 WeakPolarHBondContact CE1-O 3.17Å
451	H	87.3	Confident	80.3	Confident	118 Å²	118	56.4 Å²	56.4	55%	0.546	30%	0.303	S	S	.	.			trans	-117.3	130.3	176.3	-63.1	91.9	0	0	0	108	I449	I449-H451 WeakPolarHBondContact CG2-CE1 3.43Å
452	G	83.9	Confident	83.2	Confident	33 Å²	33	50.3 Å²	50.3	34%	0.34	27%	0.271	S	S	.	.			trans	173	-19.8	177.3	0	0	0	0	0	113.4
453	H	93.1	Very high	85.3	Confident	10 Å²	10	44 Å²	44	5%	0.046	23%	0.227	C	C	.	.			trans	-76.9	141.1	162.1	-73.1	-58.5	0	0	0	110.8	V457 S510 S512 D514 T516 C518	H453-V457 HydrophobicContact CB-CG2 4.25Å; H453-S510 PolarHBondContact CD2-OG 3.02Å; H453-S510 PolarHBondContact NE2-OG 3.16Å; H453-S512 WeakPolarHBondContact ND1-CB 3.17Å; H453-D514 WeakPolarHBondContact CA-OD2 3.5Å; H453-D514 VanDerWaalsContact CB-OD2 3.23Å; H453-D514 WeakPolarHBondContact CB-OD2 3.4Å; H453-D514 IonicContact CG-OD2 2.88Å; H453-D514 IonicContact ND1-OD1 2.66Å; H453-D514 IonicContact ND1-OD2 3.27Å; H453-D514 PolarHBondContact ND1-OD2 3.15Å; H453-T516 PolarHBondContact CE1-O 3.42Å; H453-T516 PolarHBondContact CE1-OG1 3.35Å; H453-T516 PolarHBondContact ND1-OG1 2.82Å; H453-T516 VanDerWaalsContact ND1-OG1 3.16Å; H453-C518 PolarHBondContact CE1-SG 3.2Å
454	T	91.5	Very high	86.6	Confident	124 Å²	124	37.3 Å²	37.3	76%	0.761	21%	0.205	S	C	*	.	S	Bend	trans	-95.3	-7.4	177.1	58.4	0	0	0	0	112.2	D514	T454-D514 PolarHBondContact N-OD2 3.05Å; T454-D514 WeakPolarHBondContact OG1-CB 3.43Å
455	D	92.8	Very high	87.3	Confident	65 Å²	65	38.5 Å²	38.5	35%	0.348	21%	0.209	S	C	.	.	S	Bend	trans	-144.4	-174.1	-178.9	-153.2	-22.9	0	0	0	110.7	T412 V457 S512 V513 D514	T412-D455 WeakPolarHBondContact CA-O 3.26Å; T412-D455 WeakPolarHBondContact CB-O 3.18Å; D455-V457 PolarHBondContact O-N 2.85Å; D455-S512 PolarHBondContact O-OG 3.27Å; D455-V513 HydrophobicContact CB-CB 4.23Å; D455-V513 WeakPolarHBondContact OD2-CG1 3.35Å; D455-D514 HydrophobicContact CB-CB 3.81Å
456	T	91.9	Very high	87.3	Confident	25 Å²	25	38.7 Å²	38.7	15%	0.153	21%	0.211	C	C	.	.			trans	-60.2	130.5	-171.2	65.2	0	0	0	0	113.3	Y410 S512 V513	Y410-T456 HydrophobicContact CD1-CG2 3.97Å; Y410-T456 HydrophobicContact CD2-CG2 4.4Å; Y410-T456 HydrophobicContact CG-CG2 3.8Å; T456-S512 CarbonylContact O-C 3.57Å; T456-S512 VanDerWaalsContact O-CA 3.27Å; T456-S512 WeakPolarHBondContact O-CA 3.47Å; T456-S512 PolarHBondContact O-OG 2.57Å; T456-S512 VanDerWaalsContact O-OG 3.07Å; T456-V513 PolarHBondContact O-N 3.43Å; T456-V513 WeakPolarHBondContact OG1-CB 3.4Å; T456-V513 WeakPolarHBondContact OG1-CG2 3.41Å
457	V	93.5	Very high	86.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.2	175.8	-176.2	0	0	0	0	109.6	K394 T395 S409 I414 H453 D455 I460	K394-V457 WeakPolarHBondContact CB-O 3.29Å; T395-V457 HydrophobicContact CG2-CG1 4.35Å; S409-V457 PolarHBondContact O-N 3.32Å; I414-V457 HydrophobicContact CD1-CG1 4.15Å; I414-V457 HydrophobicContact CD1-CG2 4.35Å; I414-V457 HydrophobicContact CG1-CB 4.47Å; I414-V457 HydrophobicContact CG1-CG1 4.06Å; I414-V457 HydrophobicContact CG1-CG2 3.87Å; H453-V457 HydrophobicContact CB-CG2 4.25Å; D455-V457 PolarHBondContact O-N 2.85Å; V457-I460 HydrophobicContact CG1-CG2 4.11Å
458	L	91.4	Very high	86.4	Confident	21 Å²	21	39 Å²	39	11%	0.11	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-35	-173.8	-66.7	-175.4	0	0	0	113.9	K394 Y410 G511 V513 I537 T538	K394-L458 HydrophobicContact CG-CD2 4.26Å; K394-L458 WeakPolarHBondContact CG-O 3.46Å; Y410-L458 HydrophobicContact CE1-CD2 4.3Å; L458-G511 PolarHBondContact N-O 3.24Å; L458-V513 HydrophobicContact CD1-CG2 3.62Å; L458-V513 HydrophobicContact CD2-CG2 3.85Å; L458-V513 HydrophobicContact CG-CG2 3.78Å; L458-I537 WeakPolarHBondContact CD1-O 3.49Å; L458-T538 HydrophobicContact CD1-CG2 4.15Å
459	C	93.2	Very high	85.5	Confident	13 Å²	13	39.3 Å²	39.3	9%	0.088	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	148	-174.7	53.6	0	0	0	0	110.7	S510 G511 S539 V540	C459-S510 VanDerWaalsContact O-CA 3.27Å; C459-S510 WeakPolarHBondContact O-CA 3.41Å; C459-G511 PolarHBondContact N-O 2.82Å; C459-G511 PolarHBondContact O-N 2.87Å; C459-S539 VanDerWaalsContact SG-CA 3.58Å; C459-V540 HydrophobicContact CB-CG2 4.11Å
460	I	94.8	Very high	84	Confident	9 Å²	9	41.7 Å²	41.7	5%	0.046	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153	172.5	61.3	179.4	0	0	0	109.8	T395 W397 L406 I414 V457 V509	T395-I460 HydrophobicContact CG2-CB 4.12Å; T395-I460 HydrophobicContact CG2-CD1 4.14Å; T395-I460 HydrophobicContact CG2-CG1 3.7Å; T395-I460 HydrophobicContact CG2-CG2 3.76Å; T395-I460 WeakPolarHBondContact OG1-CG1 3.47Å; T395-I460 PolarHBondContact OG1-N 3.4Å; W397-I460 HydrophobicContact CB-CD1 3.91Å; W397-I460 HydrophobicContact CB-CG1 4.22Å; L406-I460 HydrophobicContact CB-CD1 3.63Å; L406-I460 WeakPolarHBondContact O-CD1 3.24Å; I414-I460 HydrophobicContact CD1-CG2 4.26Å; I414-I460 HydrophobicContact CG2-CG2 4.49Å; V457-I460 HydrophobicContact CG1-CG2 4.11Å; I460-V509 CarbonylContact C-O 3.53Å; I460-V509 WeakPolarHBondContact CA-O 3.31Å
461	W	93.3	Very high	82.2	Confident	38 Å²	38	48.4 Å²	48.4	14%	0.144	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	122.4	174.7	-172.8	-72.3	0	0	0	110.8	W397 F508 V509 V540 L542 R583	W397-W461 AromaticContact CH2-CD2 4Å; W397-W461 HydrophobicContact CH2-CD2 4Å; W397-W461 AromaticContact CH2-CE2 3.91Å; W397-W461 HydrophobicContact CH2-CE3 4.49Å; W397-W461 HydrophobicContact CH2-CG 4.33Å; W397-W461 HydrophobicContact CH2-CZ2 4.39Å; W397-W461 AromaticContact CZ3-CD2 3.71Å; W397-W461 HydrophobicContact CZ3-CD2 3.71Å; W397-W461 AromaticContact CZ3-CE3 3.93Å; W397-W461 HydrophobicContact CZ3-CE3 3.93Å; W397-W461 HydrophobicContact CZ3-CG 4.01Å; W461-F508 CarbonylContact O-C 3.56Å; W461-F508 WeakPolarHBondContact O-CA 3.48Å; W461-F508 VanDerWaalsContact O-CB 3.31Å; W461-F508 WeakPolarHBondContact O-CB 3.44Å; W461-V509 PolarHBondContact N-O 3.35Å; W461-V509 PolarHBondContact O-N 3.31Å; W461-V540 HydrophobicContact CB-CG2 4.11Å; W461-L542 VanDerWaalsContact CD1-N 3.33Å; W461-L542 PolarHBondContact NE1-O 2.72Å; W461-R583 VanDerWaalsContact CH2-CD 3.4Å; W461-R583 VanDerWaalsContact CZ3-CZ 3.45Å
462	L	91.1	Very high	79.8	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.9	173.7	179.5	71	0	0	0	109.6	W397 I404 L406 Q464 F508 L522	W397-L462 HydrophobicContact CD2-CB 4.07Å; W397-L462 HydrophobicContact CG-CB 4.05Å; W397-L462 HydrophobicContact CZ2-CB 4.33Å; W397-L462 WeakPolarHBondContact CZ2-O 3.33Å; I404-L462 HydrophobicContact CD1-CD2 4.35Å; L406-L462 HydrophobicContact CD1-CB 4.34Å; L406-L462 HydrophobicContact CD1-CD1 4.31Å; L462-Q464 HydrophobicContact CD2-CG 4.47Å; L462-Q464 PolarHBondContact O-N 3.07Å; L462-F508 HydrophobicContact CB-CB 4.22Å; L462-F508 HydrophobicContact CD1-CB 3.81Å; L462-L522 HydrophobicContact CD1-CD1 4.39Å
463	D	84.6	Confident	77.5	Confident	2 Å²	2	55 Å²	55	1%	0.011	28%	0.28	C	S	.	.			trans	-84.1	109.4	173.2	-177.8	17.9	0	0	0	110.7	T465 Y506 L507 L542 G544	D463-T465 VanDerWaalsContact CG-OG1 3.31Å; D463-T465 VanDerWaalsContact OD1-CB 3.3Å; D463-T465 WeakPolarHBondContact OD1-CB 3.15Å; D463-T465 WeakPolarHBondContact OD1-CG2 3.32Å; D463-T465 PolarHBondContact OD1-N 2.98Å; D463-T465 PolarHBondContact OD1-OG1 2.98Å; D463-T465 PolarHBondContact OD2-OG1 2.99Å; D463-Y506 WeakPolarHBondContact O-CD1 3.44Å; D463-L507 PolarHBondContact N-O 2.78Å; D463-L542 HydrophobicContact CB-CB 4.2Å; D463-L542 HydrophobicContact CB-CD2 3.43Å; D463-L542 VanDerWaalsContact CB-CD2 3.43Å; D463-L542 HydrophobicContact CB-CG 3.65Å; D463-G544 PolarHBondContact OD2-N 3.45Å
464	Q	76.8	Confident	74.5	Confident	79 Å²	79	60.2 Å²	60.2	37%	0.369	31%	0.313	S	S	.	.			trans	-88	-6.5	175.6	-67.2	175.3	-26.4	0	0	113	D399 L462	D399-Q464 PolarHBondContact OD2-NE2 3.48Å; L462-Q464 HydrophobicContact CD2-CG 4.47Å; L462-Q464 PolarHBondContact O-N 3.07Å
465	T	70.8	Confident	71.4	Confident	76 Å²	76	60 Å²	60	47%	0.466	32%	0.316	S	S	.	.	S	Bend	trans	-79.9	-23	-173.3	66.9	0	0	0	0	113.4	D463 R543 G544	D463-T465 VanDerWaalsContact CG-OG1 3.31Å; D463-T465 VanDerWaalsContact OD1-CB 3.3Å; D463-T465 WeakPolarHBondContact OD1-CB 3.15Å; D463-T465 WeakPolarHBondContact OD1-CG2 3.32Å; D463-T465 PolarHBondContact OD1-N 2.98Å; D463-T465 PolarHBondContact OD1-OG1 2.98Å; D463-T465 PolarHBondContact OD2-OG1 2.99Å; T465-R543 HydrophobicContact CG2-CG 4.12Å; T465-G544 PolarHBondContact OG1-N 3.12Å
466	K	72.2	Confident	68.3	Low	48 Å²	48	65.2 Å²	65.2	21%	0.209	34%	0.339	C	S	.	.			trans	-145.7	133.5	-171.6	-173.3	177.4	178.2	-162.4	0	112.7	W468 Y545	K466-W468 HydrophobicContact CD-CZ2 4.42Å; K466-Y545 PolarHBondContact NZ-OH 3.38Å
467	L	73.4	Confident	65.2	Low	88 Å²	88	71.6 Å²	71.6	46%	0.461	37%	0.372	S	S	.	.			trans	-87.7	134.8	164.4	-75	167.5	0	0	0	110.1	A504 Y506	L467-A504 HydrophobicContact CB-CB 4.21Å; L467-Y506 HydrophobicContact CD2-CD1 3.79Å; L467-Y506 HydrophobicContact CD2-CD2 3.87Å; L467-Y506 HydrophobicContact CD2-CE1 3.52Å; L467-Y506 HydrophobicContact CD2-CE2 3.6Å; L467-Y506 HydrophobicContact CD2-CG 3.96Å; L467-Y506 VanDerWaalsContact CD2-CZ 3.43Å; L467-Y506 HydrophobicContact CG-CD1 4.44Å; L467-Y506 HydrophobicContact CG-CE1 3.91Å
468	W	72.2	Confident	62	Low	10 Å²	10	83 Å²	83	4%	0.038	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.8	-177.5	-74	76.3	0	0	0	110.8	K466 A504 T505 L507 G544 Y545 I561	K466-W468 HydrophobicContact CD-CZ2 4.42Å; W468-A504 CarbonylContact O-C 3.54Å; W468-A504 VanDerWaalsContact O-CA 3.28Å; W468-A504 WeakPolarHBondContact O-CA 3.34Å; W468-T505 WeakPolarHBondContact CB-O 3.5Å; W468-T505 PolarHBondContact N-O 3.12Å; W468-T505 PolarHBondContact O-N 3.28Å; W468-L507 HydrophobicContact CB-CD1 4.43Å; W468-L507 HydrophobicContact CB-CD2 4.48Å; W468-L507 HydrophobicContact CB-CG 4.15Å; W468-L507 HydrophobicContact CD2-CD1 3.46Å; W468-L507 VanDerWaalsContact CD2-CD1 3.46Å; W468-L507 HydrophobicContact CD2-CG 4.06Å; W468-L507 VanDerWaalsContact CE2-CD1 3.4Å; W468-L507 HydrophobicContact CE3-CD1 4.06Å; W468-L507 HydrophobicContact CG-CD1 3.63Å; W468-L507 HydrophobicContact CG-CD2 4.44Å; W468-L507 HydrophobicContact CG-CG 3.64Å; W468-L507 HydrophobicContact CH2-CD1 4.46Å; W468-L507 HydrophobicContact CZ2-CD1 3.93Å; W468-G544 WeakPolarHBondContact CZ2-O 3.42Å; W468-Y545 AromaticContact CH2-CD1 3.67Å; W468-Y545 HydrophobicContact CH2-CD1 3.67Å; W468-Y545 AromaticContact CH2-CE1 3.96Å; W468-Y545 HydrophobicContact CH2-CE1 3.96Å; W468-Y545 HydrophobicContact CZ2-CD1 4.18Å; W468-Y545 HydrophobicContact CZ3-CD1 4.48Å; W468-Y545 HydrophobicContact CZ3-CE1 4.39Å; W468-I561 HydrophobicContact CH2-CB 4.42Å; W468-I561 HydrophobicContact CH2-CG2 3.8Å; W468-I561 HydrophobicContact CZ2-CG2 4.3Å; W468-I561 HydrophobicContact CZ3-CG2 4.49Å
469	P	67.2	Low	58.9	Low	28 Å²	28	87.3 Å²	87.3	18%	0.182	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	146.2	178	28.4	-34.2	0	0	0	111.4	Y471 F502	P469-Y471 HydrophobicContact CB-CE2 4.39Å; P469-Y471 HydrophobicContact CG-CD2 4.44Å; P469-Y471 HydrophobicContact CG-CE2 3.67Å; P469-Y471 PolarHBondContact O-N 3.05Å; P469-F502 HydrophobicContact CB-CE1 3.89Å; P469-F502 HydrophobicContact CB-CZ 3.83Å
470	K	57.4	Low	55.8	Low	86 Å²	86	96.3 Å²	96.3	37%	0.374	48%	0.484	S	S	.	.			trans	-83.7	109.5	171.2	-168.3	175.1	-175.7	179.6	0	109.5	K503	K470-K503 VanDerWaalsContact CB-O 3.22Å; K470-K503 WeakPolarHBondContact CB-O 3.24Å; K470-K503 PolarHBondContact N-O 3.13Å; K470-K503 VanDerWaalsContact N-O 3.09Å
471	Y	53.4	Low	52.7	Low	143 Å²	143	100.8 Å²	100.8	56%	0.561	52%	0.517	S	S	*	.			trans	-86.5	116.6	167.5	-66.9	-83.6	0	0	0	108.6	P469 I473 N563	P469-Y471 HydrophobicContact CB-CE2 4.39Å; P469-Y471 HydrophobicContact CG-CD2 4.44Å; P469-Y471 HydrophobicContact CG-CE2 3.67Å; P469-Y471 PolarHBondContact O-N 3.05Å; Y471-I473 PolarHBondContact O-N 3.44Å; Y471-N563 WeakPolarHBondContact CE2-ND2 3.46Å
472	N	37.2	Very low	49.6	Very low	123 Å²	123	103.5 Å²	103.5	66%	0.658	54%	0.542	S	S	*	.			trans	-74.1	105.8	169.1	-77.1	-15.2	0	0	0	108.1	T474	N472-T474 PolarHBondContact O-N 2.64Å
473	I	35.2	Very low	46.6	Very low	165 Å²	165	113.8 Å²	113.8	85%	0.846	58%	0.582	S	S	*	*			trans	-80.4	77.4	169.6	-54.9	170	0	0	0	106.9	Y471	Y471-I473 PolarHBondContact O-N 3.44Å
474	T	29.7	Very low	43.9	Very low	120 Å²	120	122 Å²	122	74%	0.736	62%	0.619	S	S	*	*			trans	-146.9	75.6	172.7	54.2	0	0	0	0	110.8	N472	N472-T474 PolarHBondContact O-N 2.64Å
475	S	27.5	Very low	41.5	Very low	119 Å²	119	127.8 Å²	127.8	83%	0.832	64%	0.639	S	S	*	*	S	Bend	trans	-163.3	41.5	154.6	69.3	0	0	0	0	111.9
476	E	27.8	Very low	39.4	Very low	176 Å²	176	129.1 Å²	129.1	82%	0.822	65%	0.652	S	S	*	*	S	Bend	trans	-131.8	126	158.4	-72.4	-176.2	176.1	0	0	104.8
477	N	27.1	Very low	37.3	Very low	158 Å²	158	134 Å²	134	85%	0.845	68%	0.675	S	S	*	*			trans	91.6	65.6	-174.6	-46.8	-22.3	0	0	0	115.9
478	R	26.1	Very low	35.3	Very low	239 Å²	239	137.4 Å²	137.4	90%	0.902	69%	0.694	S	S	*	*			trans	-105.7	106.2	136.6	-79	-172.5	-179.6	172.4	1	107	H480	R478-H480 PolarHBondContact O-N 2.86Å
479	P	26.8	Very low	33.1	Very low	113 Å²	113	146.8 Å²	146.8	73%	0.734	73%	0.729	S	S	*	*			trans	-66	136.2	175.6	28.1	-29.5	0	0	0	108.2	S481	P479-S481 PolarHBondContact O-N 2.99Å
480	H	26.8	Very low	31.2	Very low	201 Å²	201	152.3 Å²	152.3	93%	0.931	76%	0.757	S	S	*	*			trans	-55.5	101.4	175.9	-70.1	-91.9	0	0	0	110.3	R478	R478-H480 PolarHBondContact O-N 2.86Å
481	S	29.9	Very low	29.7	Very low	104 Å²	104	155.1 Å²	155.1	73%	0.727	78%	0.777	S	S	*	*			trans	-119.2	95.2	163.5	66.5	0	0	0	0	109.1	P479	P479-S481 PolarHBondContact O-N 2.99Å
482	S	29.3	Very low	28.6	Very low	95 Å²	95	156.1 Å²	156.1	66%	0.664	79%	0.791	S	S	*	*			trans	29.7	107.2	147	56.4	0	0	0	0	118	H484	S482-H484 PolarHBondContact O-N 2.82Å; S482-H484 VanDerWaalsContact O-N 3.13Å
483	Y	27.7	Very low	28.2	Very low	216 Å²	216	157 Å²	157	85%	0.847	80%	0.795	S	S	*	*			trans	-45.9	105.8	158.8	-68.2	-95.1	0	0	0	111.9
484	H	27.1	Very low	27.8	Very low	174 Å²	174	153.7 Å²	153.7	81%	0.806	79%	0.786	S	S	*	*			trans	-101.6	108.2	153.2	-88.9	-76.2	0	0	0	108.1	S482 S486	S482-H484 PolarHBondContact O-N 2.82Å; S482-H484 VanDerWaalsContact O-N 3.13Å; H484-S486 PolarHBondContact O-N 3.06Å
485	Y	27.2	Very low	27.7	Very low	201 Å²	201	155.5 Å²	155.5	79%	0.788	79%	0.791	S	S	*	*			trans	-65.3	106.7	166.6	-89.8	-94	0	0	0	108.5
486	S	27.3	Very low	27.8	Very low	104 Å²	104	156 Å²	156	73%	0.727	79%	0.785	S	S	*	*			trans	-118.8	104.4	158.1	62	0	0	0	0	107.9	H484 D488	H484-S486 PolarHBondContact O-N 3.06Å; S486-D488 PolarHBondContact O-N 3.23Å
487	H	27.6	Very low	28	Very low	150 Å²	150	153.9 Å²	153.9	69%	0.694	78%	0.783	S	S	*	*			trans	-64.2	106.1	167	-82.3	-70.4	0	0	0	108.8
488	D	30.1	Very low	28.3	Very low	160 Å²	160	152.3 Å²	152.3	86%	0.856	78%	0.775	S	S	*	*			trans	-136.2	107.6	151.7	-88.6	-38.2	0	0	0	108.7	S486	S486-D488 PolarHBondContact O-N 3.23Å
489	R	26	Very low	28.5	Very low	207 Å²	207	150.4 Å²	150.4	78%	0.781	77%	0.773	S	S	*	*			trans	-74.8	154.4	170.7	-64.4	179.7	-153	-179.9	5.9	108.3
490	N	27.5	Very low	28.8	Very low	145 Å²	145	152.8 Å²	152.8	78%	0.775	78%	0.78	S	S	*	*			trans	95.2	94.5	169	-51.8	-18.5	0	0	0	114.6
491	N	27.6	Very low	29.4	Very low	145 Å²	145	150.9 Å²	150.9	78%	0.775	77%	0.771	S	S	*	*				-171.7	137.5	107.3	-93	-26.3	0	0	0	112.3	I493	N491-I493 PolarHBondContact O-N 2.66Å
492	N	29	Very low	29.9	Very low	163 Å²	163	154.3 Å²	154.3	87%	0.872	77%	0.774	S	S	*	*			trans	-54.2	116.6	174.4	-62.3	-41.8	0	0	0	111.2
493	I	28.5	Very low	31.4	Very low	142 Å²	142	156 Å²	156	73%	0.728	77%	0.769	S	S	*	*			trans	-136.6	107.3	163.5	-85.6	120.2	0	0	0	108.8	N491	N491-I493 PolarHBondContact O-N 2.66Å
494	S	28	Very low	33.3	Very low	96 Å²	96	147.7 Å²	147.7	67%	0.671	75%	0.745	S	S	*	*			trans	14.8	111.9	153.1	56.8	0	0	0	0	118.2	D496	S494-D496 PolarHBondContact O-N 3.27Å
495	N	27.5	Very low	35.9	Very low	157 Å²	157	139.7 Å²	139.7	84%	0.84	71%	0.708	S	S	*	*			trans	-68.9	72	166.2	-68.8	-27.8	0	0	0	111.7	V497	N495-V497 VanDerWaalsContact C-N 3.29Å; N495-V497 PolarHBondContact O-N 3.15Å
496	D	29.7	Very low	38.7	Very low	131 Å²	131	132.5 Å²	132.5	70%	0.701	68%	0.68	S	S	*	*			trans	-89.3	69.4	163.4	-105	-4.1	0	0	0	109	S494 N498	S494-D496 PolarHBondContact O-N 3.27Å; D496-N498 PolarHBondContact O-N 3.04Å
497	V	32	Very low	41.7	Very low	130 Å²	130	127.7 Å²	127.7	79%	0.788	65%	0.646	S	S	*	*			trans	-79.1	79.9	169.2	-175.8	0	0	0	0	107.4	N495 K499	N495-V497 VanDerWaalsContact C-N 3.29Å; N495-V497 PolarHBondContact O-N 3.15Å; V497-K499 PolarHBondContact O-N 3.44Å; V497-K499 VanDerWaalsContact O-N 3.14Å
498	N	32.1	Very low	44.9	Very low	125 Å²	125	120.6 Å²	120.6	67%	0.668	61%	0.613	S	S	*	*			trans	-56.2	113.9	172.3	-80.7	-47.9	0	0	0	109.5	D496 D500	D496-N498 PolarHBondContact O-N 3.04Å; N498-D500 PolarHBondContact O-N 2.86Å
499	K	31.9	Very low	48	Very low	200 Å²	200	113 Å²	113	87%	0.87	57%	0.572	S	S	*	*			trans	-56.8	111.4	166.2	-70.6	174.8	177.3	172.4	0	107.7	V497 E501	V497-K499 PolarHBondContact O-N 3.44Å; V497-K499 VanDerWaalsContact O-N 3.14Å; K499-E501 VanDerWaalsContact C-N 3.31Å; K499-E501 PolarHBondContact O-N 2.81Å
500	D	33	Very low	51.4	Low	162 Å²	162	103.1 Å²	103.1	87%	0.866	54%	0.535	S	S	*	.			trans	-60.4	90.2	178.1	-83.7	-39.2	0	0	0	110.7	N498 F502	N498-D500 PolarHBondContact O-N 2.86Å; D500-F502 PolarHBondContact O-N 3.25Å
501	E	39.7	Very low	54.7	Low	161 Å²	161	96.2 Å²	96.2	75%	0.752	50%	0.498	S	S	*	.			trans	-59.3	126.2	177.8	-145.3	178	-166.9	0	0	109.6	K499 K503	K499-E501 VanDerWaalsContact C-N 3.31Å; K499-E501 PolarHBondContact O-N 2.81Å; E501-K503 PolarHBondContact O-N 3.2Å
502	F	39.5	Very low	57.9	Low	177 Å²	177	89.3 Å²	89.3	78%	0.776	46%	0.461	S	S	*	.			trans	-63.7	94.6	-176.6	-163.9	-90.7	0	0	0	110.9	P469 D500 A504	P469-F502 HydrophobicContact CB-CE1 3.89Å; P469-F502 HydrophobicContact CB-CZ 3.83Å; D500-F502 PolarHBondContact O-N 3.25Å; F502-A504 HydrophobicContact CD1-CB 4.44Å; F502-A504 HydrophobicContact CE1-CB 4.44Å; F502-A504 PolarHBondContact O-N 3.25Å
503	K	60.1	Low	61.1	Low	131 Å²	131	83.7 Å²	83.7	57%	0.57	43%	0.433	S	S	*	.			trans	-82.2	100.4	-178.1	-73.6	176.3	-176.1	174.7	0	111	K470 E501	K470-K503 VanDerWaalsContact CB-O 3.22Å; K470-K503 WeakPolarHBondContact CB-O 3.24Å; K470-K503 PolarHBondContact N-O 3.13Å; K470-K503 VanDerWaalsContact N-O 3.09Å; E501-K503 PolarHBondContact O-N 3.2Å
504	A	68.2	Low	64.3	Low	40 Å²	40	78.1 Å²	78.1	33%	0.331	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.2	171.3	0	0	0	0	0	111	L467 W468 F502	L467-A504 HydrophobicContact CB-CB 4.21Å; W468-A504 CarbonylContact O-C 3.54Å; W468-A504 VanDerWaalsContact O-CA 3.28Å; W468-A504 WeakPolarHBondContact O-CA 3.34Å; F502-A504 HydrophobicContact CD1-CB 4.44Å; F502-A504 HydrophobicContact CE1-CB 4.44Å; F502-A504 PolarHBondContact O-N 3.25Å
505	T	80.7	Confident	67.6	Low	7 Å²	7	75 Å²	75	4%	0.043	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	159.7	-166.1	108.7	0	0	0	0	112.7	W468 R521 D523	W468-T505 WeakPolarHBondContact CB-O 3.5Å; W468-T505 PolarHBondContact N-O 3.12Å; W468-T505 PolarHBondContact O-N 3.28Å; T505-R521 WeakPolarHBondContact OG1-CG 3.5Å; T505-D523 VanDerWaalsContact CB-CG 3.46Å; T505-D523 WeakPolarHBondContact CB-OD1 3.5Å; T505-D523 WeakPolarHBondContact CB-OD2 3.39Å; T505-D523 HydrophobicContact CG2-CB 4.44Å; T505-D523 WeakPolarHBondContact CG2-OD1 3.34Å; T505-D523 WeakPolarHBondContact CG2-OD2 3.45Å; T505-D523 PolarHBondContact OG1-OD1 3.3Å
506	Y	86.5	Confident	70.9	Confident	50 Å²	50	68.4 Å²	68.4	20%	0.196	35%	0.348	C	S	.	.			trans	-80.6	147.8	-177	-65.2	-74.7	0	0	0	112.1	L402 D463 L467 L522	L402-Y506 HydrophobicContact CD1-CD2 3.71Å; L402-Y506 HydrophobicContact CD1-CE2 3.49Å; L402-Y506 VanDerWaalsContact CD1-CE2 3.49Å; L402-Y506 HydrophobicContact CD2-CE2 3.78Å; L402-Y506 HydrophobicContact CG-CE2 4.26Å; D463-Y506 WeakPolarHBondContact O-CD1 3.44Å; L467-Y506 HydrophobicContact CD2-CD1 3.79Å; L467-Y506 HydrophobicContact CD2-CD2 3.87Å; L467-Y506 HydrophobicContact CD2-CE1 3.52Å; L467-Y506 HydrophobicContact CD2-CE2 3.6Å; L467-Y506 HydrophobicContact CD2-CG 3.96Å; L467-Y506 VanDerWaalsContact CD2-CZ 3.43Å; L467-Y506 HydrophobicContact CG-CD1 4.44Å; L467-Y506 HydrophobicContact CG-CE1 3.91Å; Y506-L522 PolarHBondContact O-N 2.79Å; Y506-L522 VanDerWaalsContact O-N 3.12Å
507	L	91.5	Very high	74	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	143.8	169.9	-61.9	-172.2	0	0	0	110.7	D463 W468 I519 W520 R521 L528 L542	D463-L507 PolarHBondContact N-O 2.78Å; W468-L507 HydrophobicContact CB-CD1 4.43Å; W468-L507 HydrophobicContact CB-CD2 4.48Å; W468-L507 HydrophobicContact CB-CG 4.15Å; W468-L507 HydrophobicContact CD2-CD1 3.46Å; W468-L507 VanDerWaalsContact CD2-CD1 3.46Å; W468-L507 HydrophobicContact CD2-CG 4.06Å; W468-L507 VanDerWaalsContact CE2-CD1 3.4Å; W468-L507 HydrophobicContact CE3-CD1 4.06Å; W468-L507 HydrophobicContact CG-CD1 3.63Å; W468-L507 HydrophobicContact CG-CD2 4.44Å; W468-L507 HydrophobicContact CG-CG 3.64Å; W468-L507 HydrophobicContact CH2-CD1 4.46Å; W468-L507 HydrophobicContact CZ2-CD1 3.93Å; L507-I519 HydrophobicContact CD1-CG2 4.22Å; L507-W520 VanDerWaalsContact CA-O 3.26Å; L507-W520 WeakPolarHBondContact CA-O 3.38Å; L507-W520 WeakPolarHBondContact CD2-O 3.09Å; L507-R521 HydrophobicContact CD2-CB 4.06Å; L507-R521 HydrophobicContact CD2-CG 4.19Å; L507-L528 HydrophobicContact CD1-CD1 4.48Å; L507-L528 HydrophobicContact CD2-CD1 3.44Å; L507-L528 VanDerWaalsContact CD2-CD1 3.44Å; L507-L542 HydrophobicContact CB-CD2 3.9Å
508	F	93.9	Very high	77.1	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	158.3	166.2	74.8	-88.8	0	0	0	110.8	L406 I414 F450 W461 L462 W520 L522	L406-F508 HydrophobicContact CD1-CB 4.24Å; L406-F508 HydrophobicContact CD1-CD1 4.18Å; L406-F508 HydrophobicContact CD1-CD2 4.44Å; L406-F508 HydrophobicContact CD1-CG 4.05Å; L406-F508 HydrophobicContact CD2-CE1 4.5Å; I414-F508 HydrophobicContact CD1-CE2 3.99Å; I414-F508 HydrophobicContact CG2-CE2 4.02Å; I414-F508 HydrophobicContact CG2-CZ 4.26Å; F450-F508 HydrophobicContact CD1-CE1 4.35Å; F450-F508 HydrophobicContact CD1-CZ 4.12Å; F450-F508 HydrophobicContact CD2-CE1 4.29Å; F450-F508 AromaticContact CD2-CZ 3.76Å; F450-F508 HydrophobicContact CD2-CZ 3.76Å; F450-F508 AromaticContact CE1-CE1 3.9Å; F450-F508 HydrophobicContact CE1-CE1 3.9Å; F450-F508 HydrophobicContact CE1-CZ 4.13Å; F450-F508 AromaticContact CE2-CE1 3.84Å; F450-F508 HydrophobicContact CE2-CE1 3.84Å; F450-F508 AromaticContact CE2-CZ 3.76Å; F450-F508 HydrophobicContact CE2-CZ 3.76Å; F450-F508 AromaticContact CG-CZ 3.95Å; F450-F508 HydrophobicContact CG-CZ 3.95Å; F450-F508 AromaticContact CZ-CE1 3.64Å; F450-F508 HydrophobicContact CZ-CE1 3.64Å; F450-F508 AromaticContact CZ-CZ 3.97Å; F450-F508 HydrophobicContact CZ-CZ 3.97Å; W461-F508 CarbonylContact O-C 3.56Å; W461-F508 WeakPolarHBondContact O-CA 3.48Å; W461-F508 VanDerWaalsContact O-CB 3.31Å; W461-F508 WeakPolarHBondContact O-CB 3.44Å; L462-F508 HydrophobicContact CB-CB 4.22Å; L462-F508 HydrophobicContact CD1-CB 3.81Å; F508-W520 HydrophobicContact CD1-CB 3.67Å; F508-W520 HydrophobicContact CD1-CG 4.47Å; F508-W520 HydrophobicContact CD2-CB 4.14Å; F508-W520 AromaticContact CD2-CD1 3.68Å; F508-W520 HydrophobicContact CD2-CG 4.14Å; F508-W520 HydrophobicContact CE1-CB 3.25Å; F508-W520 AromaticContact CE1-CG 3.88Å; F508-W520 HydrophobicContact CE1-CG 3.88Å; F508-W520 HydrophobicContact CE2-CB 3.76Å; F508-W520 AromaticContact CE2-CD1 3.21Å; F508-W520 HydrophobicContact CE2-CD2 4.3Å; F508-W520 AromaticContact CE2-CG 3.5Å; F508-W520 HydrophobicContact CE2-CG 3.5Å; F508-W520 VanDerWaalsContact CE2-CG 3.5Å; F508-W520 AromaticContact CE2-NE1 3.86Å; F508-W520 HydrophobicContact CG-CB 4.1Å; F508-W520 HydrophobicContact CZ-CB 3.29Å; F508-W520 AromaticContact CZ-CD1 3.61Å; F508-W520 HydrophobicContact CZ-CD2 4.03Å; F508-W520 AromaticContact CZ-CG 3.35Å; F508-W520 HydrophobicContact CZ-CG 3.35Å; F508-W520 PolarHBondContact N-O 2.61Å; F508-W520 PolarHBondContact O-N 3.48Å; F508-L522 HydrophobicContact CD1-CD1 3.95Å; F508-L522 HydrophobicContact CE1-CD1 4.2Å
509	V	95.6	Very high	80	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145.5	179.1	-178.1	0	0	0	0	109	I460 W461 C517 C518 I519 V540 L542	I460-V509 CarbonylContact C-O 3.53Å; I460-V509 WeakPolarHBondContact CA-O 3.31Å; W461-V509 PolarHBondContact N-O 3.35Å; W461-V509 PolarHBondContact O-N 3.31Å; V509-C517 WeakPolarHBondContact CG1-SG 3.25Å; V509-C518 CarbonylContact C-O 3.57Å; V509-C518 VanDerWaalsContact CA-O 3.32Å; V509-C518 WeakPolarHBondContact CA-O 2.87Å; V509-I519 HydrophobicContact CG2-CG1 4.21Å; V509-V540 HydrophobicContact CB-CG2 4.48Å; V509-V540 HydrophobicContact CG1-CB 3.96Å; V509-V540 HydrophobicContact CG1-CG1 4.09Å; V509-V540 HydrophobicContact CG1-CG2 4.21Å; V509-L542 HydrophobicContact CB-CB 4.49Å; V509-L542 HydrophobicContact CG2-CB 3.68Å; V509-L542 HydrophobicContact CG2-CD1 3.95Å; V509-L542 HydrophobicContact CG2-CD2 3.7Å; V509-L542 HydrophobicContact CG2-CG 3.96Å
510	S	96.5	Very high	83	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	142.7	171	59.8	0	0	0	0	111.8	I414 H453 C459 C517 C518 W520	I414-S510 WeakPolarHBondContact CD1-OG 3.27Å; H453-S510 PolarHBondContact CD2-OG 3.02Å; H453-S510 PolarHBondContact NE2-OG 3.16Å; C459-S510 VanDerWaalsContact O-CA 3.27Å; C459-S510 WeakPolarHBondContact O-CA 3.41Å; S510-C517 CarbonylContact O-C 3.56Å; S510-C517 VanDerWaalsContact O-CA 3.27Å; S510-C517 WeakPolarHBondContact O-CA 3.48Å; S510-C518 PolarHBondContact N-O 2.96Å; S510-C518 PolarHBondContact O-N 2.87Å; S510-W520 PolarHBondContact OG-NE1 2.9Å
511	G	96.6	Very high	85.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.4	172.1	0	0	0	0	0	110.9	L458 C459	L458-G511 PolarHBondContact N-O 3.24Å; C459-G511 PolarHBondContact N-O 2.82Å; C459-G511 PolarHBondContact O-N 2.87Å
512	S	96.5	Very high	87.9	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	166.2	-172.4	170.5	0	0	0	0	112.5	H453 D455 T456 D514 T516 I537	H453-S512 WeakPolarHBondContact ND1-CB 3.17Å; D455-S512 PolarHBondContact O-OG 3.27Å; T456-S512 CarbonylContact O-C 3.57Å; T456-S512 VanDerWaalsContact O-CA 3.27Å; T456-S512 WeakPolarHBondContact O-CA 3.47Å; T456-S512 PolarHBondContact O-OG 2.57Å; T456-S512 VanDerWaalsContact O-OG 3.07Å; S512-D514 WeakPolarHBondContact CB-OD1 3.09Å; S512-D514 PolarHBondContact O-N 3.1Å; S512-D514 PolarHBondContact OG-N 3.02Å; S512-D514 PolarHBondContact OG-OD1 3.34Å; S512-D514 PolarHBondContact OG-OD2 3.07Å; S512-T516 PolarHBondContact N-O 3.42Å; S512-I537 PolarHBondContact O-N 3.31Å
513	V	95.9	Very high	90	Very high	45 Å²	45	21.1 Å²	21.1	27%	0.273	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.3	171.7	174.8	0	0	0	0	112.6	D455 T456 L458 C515 P536	D455-V513 HydrophobicContact CB-CB 4.23Å; D455-V513 WeakPolarHBondContact OD2-CG1 3.35Å; T456-V513 PolarHBondContact O-N 3.43Å; T456-V513 WeakPolarHBondContact OG1-CB 3.4Å; T456-V513 WeakPolarHBondContact OG1-CG2 3.41Å; L458-V513 HydrophobicContact CD1-CG2 3.62Å; L458-V513 HydrophobicContact CD2-CG2 3.85Å; L458-V513 HydrophobicContact CG-CG2 3.78Å; V513-C515 PolarHBondContact O-N 3.42Å; V513-P536 HydrophobicContact CG1-CG 4.35Å
514	D	95.3	Very high	91.2	Very high	26 Å²	26	17.3 Å²	17.3	14%	0.139	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	9.6	173.9	62.1	23.9	0	0	0	114.4	H453 T454 D455 S512 T516	H453-D514 WeakPolarHBondContact CA-OD2 3.5Å; H453-D514 VanDerWaalsContact CB-OD2 3.23Å; H453-D514 WeakPolarHBondContact CB-OD2 3.4Å; H453-D514 IonicContact CG-OD2 2.88Å; H453-D514 IonicContact ND1-OD1 2.66Å; H453-D514 IonicContact ND1-OD2 3.27Å; H453-D514 PolarHBondContact ND1-OD2 3.15Å; T454-D514 PolarHBondContact N-OD2 3.05Å; T454-D514 WeakPolarHBondContact OG1-CB 3.43Å; D455-D514 HydrophobicContact CB-CB 3.81Å; S512-D514 WeakPolarHBondContact CB-OD1 3.09Å; S512-D514 PolarHBondContact O-N 3.1Å; S512-D514 PolarHBondContact OG-N 3.02Å; S512-D514 PolarHBondContact OG-OD1 3.34Å; S512-D514 PolarHBondContact OG-OD2 3.07Å; D514-T516 PolarHBondContact O-N 3Å; D514-T516 WeakPolarHBondContact OD1-CA 3.24Å; D514-T516 VanDerWaalsContact OD1-CB 3.28Å; D514-T516 WeakPolarHBondContact OD1-CB 3.28Å; D514-T516 PolarHBondContact OD1-N 3.2Å; D514-T516 PolarHBondContact OD1-OG1 3.24Å; D514-T516 PolarHBondContact OD2-OG1 2.99Å
515	C	96.8	Very high	91.8	Very high	31 Å²	31	19.2 Å²	19.2	21%	0.209	10%	0.097	C	C	.	.	S	Bend	trans	61	23.3	-177.3	-52.1	0	0	0	0	113.2	V513 H533	V513-C515 PolarHBondContact O-N 3.42Å; C515-H533 WeakPolarHBondContact CB-O 3.26Å; C515-H533 WeakPolarHBondContact O-CB 3.3Å; C515-H533 PolarHBondContact O-N 2.92Å
516	T	96.4	Very high	92.1	Very high	18 Å²	18	26.9 Å²	26.9	11%	0.11	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.8	177.4	74	0	0	0	0	113	H453 S512 D514 I530 M531 K532 I537	H453-T516 PolarHBondContact CE1-O 3.42Å; H453-T516 PolarHBondContact CE1-OG1 3.35Å; H453-T516 PolarHBondContact ND1-OG1 2.82Å; H453-T516 VanDerWaalsContact ND1-OG1 3.16Å; S512-T516 PolarHBondContact N-O 3.42Å; D514-T516 PolarHBondContact O-N 3Å; D514-T516 WeakPolarHBondContact OD1-CA 3.24Å; D514-T516 VanDerWaalsContact OD1-CB 3.28Å; D514-T516 WeakPolarHBondContact OD1-CB 3.28Å; D514-T516 PolarHBondContact OD1-N 3.2Å; D514-T516 PolarHBondContact OD1-OG1 3.24Å; D514-T516 PolarHBondContact OD2-OG1 2.99Å; T516-I530 HydrophobicContact CG2-CG2 4.02Å; T516-M531 CarbonylContact C-O 3.53Å; T516-M531 VanDerWaalsContact CA-O 3.29Å; T516-M531 WeakPolarHBondContact CA-O 3.4Å; T516-K532 HydrophobicContact CG2-CG 4.32Å; T516-I537 WeakPolarHBondContact O-CD1 3.29Å
517	C	96.2	Very high	92.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.7	169.3	179.7	0	0	0	0	107.8	V509 S510 M531 I537 T549	V509-C517 WeakPolarHBondContact CG1-SG 3.25Å; S510-C517 CarbonylContact O-C 3.56Å; S510-C517 VanDerWaalsContact O-CA 3.27Å; S510-C517 WeakPolarHBondContact O-CA 3.48Å; C517-M531 HydrophobicContact CB-CB 4.28Å; C517-M531 HydrophobicContact CB-CE 3.76Å; C517-M531 PolarHBondContact N-O 2.78Å; C517-M531 PolarHBondContact O-N 3.14Å; C517-M531 WeakPolarHBondContact SG-CE 3.49Å; C517-I537 HydrophobicContact CB-CD1 3.4Å; C517-I537 VanDerWaalsContact CB-CD1 3.4Å; C517-T549 HydrophobicContact CB-CG2 3.8Å; C517-T549 VanDerWaalsContact SG-CG2 3.51Å
518	C	95.5	Very high	92.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.3	-178.5	-69.8	0	0	0	0	110	H453 V509 S510 W520 P527 W529	H453-C518 PolarHBondContact CE1-SG 3.2Å; V509-C518 CarbonylContact C-O 3.57Å; V509-C518 VanDerWaalsContact CA-O 3.32Å; V509-C518 WeakPolarHBondContact CA-O 2.87Å; S510-C518 PolarHBondContact N-O 2.96Å; S510-C518 PolarHBondContact O-N 2.87Å; C518-W520 HydrophobicContact CB-CD2 4.44Å; C518-W520 VanDerWaalsContact CB-CE2 3.44Å; C518-W520 HydrophobicContact CB-CZ2 3.53Å; C518-W520 PolarHBondContact O-NE1 3.19Å; C518-P527 HydrophobicContact CB-CB 4.11Å; C518-W529 WeakPolarHBondContact CA-O 3.33Å
519	I	94.8	Very high	92.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.3	170	-56.1	173.6	0	0	0	107	L507 V509 P527 L528 W529 M531 I561 P566	L507-I519 HydrophobicContact CD1-CG2 4.22Å; V509-I519 HydrophobicContact CG2-CG1 4.21Å; I519-P527 CarbonylContact O-C 3.56Å; I519-L528 WeakPolarHBondContact O-CB 3.46Å; I519-L528 PolarHBondContact O-N 3.08Å; I519-W529 HydrophobicContact CB-CB 4.32Å; I519-W529 HydrophobicContact CD1-CB 4.29Å; I519-W529 PolarHBondContact N-O 3.04Å; I519-W529 PolarHBondContact O-N 3.13Å; I519-M531 HydrophobicContact CD1-CE 4.05Å; I519-M531 HydrophobicContact CD1-SD 4.39Å; I519-M531 HydrophobicContact CG1-CE 4.07Å; I519-I561 HydrophobicContact CD1-CD1 3.51Å; I519-I561 HydrophobicContact CD1-CG1 3.68Å; I519-I561 HydrophobicContact CD1-CG2 4.27Å; I519-I561 HydrophobicContact CG1-CD1 4.46Å; I519-P566 HydrophobicContact CD1-CG 3.77Å
520	W	93.3	Very high	92.2	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144	-173.9	-54.1	87.6	0	0	0	110.2	I414 F450 L507 F508 S510 C518 P527	I414-W520 HydrophobicContact CD1-CZ2 4.4Å; F450-W520 HydrophobicContact CB-CD2 4.47Å; F450-W520 HydrophobicContact CB-CE3 3.94Å; F450-W520 HydrophobicContact CB-CH2 4.18Å; F450-W520 HydrophobicContact CB-CZ3 3.77Å; F450-W520 AromaticContact CD1-CE3 3.89Å; F450-W520 HydrophobicContact CD1-CE3 3.89Å; F450-W520 HydrophobicContact CD1-CZ3 4.4Å; F450-W520 HydrophobicContact CG-CE3 4.26Å; L507-W520 VanDerWaalsContact CA-O 3.26Å; L507-W520 WeakPolarHBondContact CA-O 3.38Å; L507-W520 WeakPolarHBondContact CD2-O 3.09Å; F508-W520 HydrophobicContact CD1-CB 3.67Å; F508-W520 HydrophobicContact CD1-CG 4.47Å; F508-W520 HydrophobicContact CD2-CB 4.14Å; F508-W520 AromaticContact CD2-CD1 3.68Å; F508-W520 HydrophobicContact CD2-CG 4.14Å; F508-W520 HydrophobicContact CE1-CB 3.25Å; F508-W520 AromaticContact CE1-CG 3.88Å; F508-W520 HydrophobicContact CE1-CG 3.88Å; F508-W520 HydrophobicContact CE2-CB 3.76Å; F508-W520 AromaticContact CE2-CD1 3.21Å; F508-W520 HydrophobicContact CE2-CD2 4.3Å; F508-W520 AromaticContact CE2-CG 3.5Å; F508-W520 HydrophobicContact CE2-CG 3.5Å; F508-W520 VanDerWaalsContact CE2-CG 3.5Å; F508-W520 AromaticContact CE2-NE1 3.86Å; F508-W520 HydrophobicContact CG-CB 4.1Å; F508-W520 HydrophobicContact CZ-CB 3.29Å; F508-W520 AromaticContact CZ-CD1 3.61Å; F508-W520 HydrophobicContact CZ-CD2 4.03Å; F508-W520 AromaticContact CZ-CG 3.35Å; F508-W520 HydrophobicContact CZ-CG 3.35Å; F508-W520 PolarHBondContact N-O 2.61Å; F508-W520 PolarHBondContact O-N 3.48Å; S510-W520 PolarHBondContact OG-NE1 2.9Å; C518-W520 HydrophobicContact CB-CD2 4.44Å; C518-W520 VanDerWaalsContact CB-CE2 3.44Å; C518-W520 HydrophobicContact CB-CZ2 3.53Å; C518-W520 PolarHBondContact O-NE1 3.19Å; W520-P527 HydrophobicContact CD2-CB 4.08Å; W520-P527 VanDerWaalsContact CE3-CA 3.5Å; W520-P527 HydrophobicContact CE3-CB 3.84Å; W520-P527 HydrophobicContact CH2-CB 3.87Å; W520-P527 HydrophobicContact CH2-CG 4.05Å; W520-P527 HydrophobicContact CZ2-CB 4.09Å; W520-P527 HydrophobicContact CZ3-CB 3.74Å; W520-P527 VanDerWaalsContact CZ3-CD 3.44Å; W520-P527 HydrophobicContact CZ3-CG 4.04Å; W520-P527 VanDerWaalsContact CZ3-N 3.32Å
521	R	89.5	Confident	92	Very high	29 Å²	29	36.1 Å²	36.1	11%	0.109	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.9	160.4	-164.5	172.7	-78.5	155.1	-7.2	108	T505 L507 D523 E524 L528	T505-R521 WeakPolarHBondContact OG1-CG 3.5Å; L507-R521 HydrophobicContact CD2-CB 4.06Å; L507-R521 HydrophobicContact CD2-CG 4.19Å; R521-D523 HydrophobicContact CG-CB 4.45Å; R521-D523 PolarHBondContact O-N 3.01Å; R521-E524 HydrophobicContact CB-CB 4.14Å; R521-E524 HydrophobicContact CB-CG 4.09Å; R521-E524 HydrophobicContact CG-CG 4.45Å; R521-E524 IonicContact CZ-OE1 2.88Å; R521-E524 IonicContact NE-OE1 2.68Å; R521-E524 IonicContact NH1-OE1 3.45Å; R521-E524 PolarHBondContact NH1-OE1 3.17Å; R521-E524 IonicContact NH1-OE2 3.79Å; R521-E524 PolarHBondContact O-N 3.43Å; R521-L528 HydrophobicContact CB-CD1 3.9Å; R521-L528 HydrophobicContact CB-CD2 4.37Å; R521-L528 HydrophobicContact CB-CG 4.07Å
522	L	87.2	Confident	91.9	Very high	19 Å²	19	44.3 Å²	44.3	10%	0.099	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.3	-177.2	-152.9	75.5	0	0	0	113	I404 L406 L416 F450 L462 Y506 F508	I404-L522 HydrophobicContact CD1-CD1 4.49Å; I404-L522 HydrophobicContact CD1-CD2 3.88Å; L406-L522 HydrophobicContact CD1-CD1 4.24Å; L406-L522 HydrophobicContact CD2-CD1 4.29Å; L416-L522 HydrophobicContact CD1-CD1 4.21Å; L416-L522 HydrophobicContact CD2-CD1 4.41Å; L416-L522 HydrophobicContact CD2-CD2 4.43Å; L416-L522 HydrophobicContact CD2-CG 4.05Å; F450-L522 WeakPolarHBondContact CZ-O 3.36Å; L462-L522 HydrophobicContact CD1-CD1 4.39Å; Y506-L522 PolarHBondContact O-N 2.79Å; Y506-L522 VanDerWaalsContact O-N 3.12Å; F508-L522 HydrophobicContact CD1-CD1 3.95Å; F508-L522 HydrophobicContact CE1-CD1 4.2Å
523	D	82.7	Confident	91.8	Very high	44 Å²	44	45.4 Å²	45.4	24%	0.235	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-8.6	-169.8	-47.3	45.1	0	0	0	113	L430 R448 T505 R521	L430-D523 HydrophobicContact CD2-CB 3.91Å; L430-D523 WeakPolarHBondContact CD2-OD2 3.38Å; R448-D523 VanDerWaalsContact CZ-O 3.3Å; R448-D523 PolarHBondContact NH1-O 2.86Å; R448-D523 PolarHBondContact NH2-O 3.32Å; T505-D523 VanDerWaalsContact CB-CG 3.46Å; T505-D523 WeakPolarHBondContact CB-OD1 3.5Å; T505-D523 WeakPolarHBondContact CB-OD2 3.39Å; T505-D523 HydrophobicContact CG2-CB 4.44Å; T505-D523 WeakPolarHBondContact CG2-OD1 3.34Å; T505-D523 WeakPolarHBondContact CG2-OD2 3.45Å; T505-D523 PolarHBondContact OG1-OD1 3.3Å; R521-D523 HydrophobicContact CG-CB 4.45Å; R521-D523 PolarHBondContact O-N 3.01Å
524	E	84.6	Confident	91.6	Very high	50 Å²	50	47.3 Å²	47.3	23%	0.234	23%	0.233	C	C	.	.			trans	-114	144.6	-174.9	-65	-178.6	-174.8	0	0	110.3	F450 R521 L528	F450-E524 WeakPolarHBondContact CD1-O 3.31Å; F450-E524 WeakPolarHBondContact CE1-O 3.17Å; R521-E524 HydrophobicContact CB-CB 4.14Å; R521-E524 HydrophobicContact CB-CG 4.09Å; R521-E524 HydrophobicContact CG-CG 4.45Å; R521-E524 IonicContact CZ-OE1 2.88Å; R521-E524 IonicContact NE-OE1 2.68Å; R521-E524 IonicContact NH1-OE1 3.45Å; R521-E524 PolarHBondContact NH1-OE1 3.17Å; R521-E524 IonicContact NH1-OE2 3.79Å; R521-E524 PolarHBondContact O-N 3.43Å; E524-L528 VanDerWaalsContact OE2-CD2 3.24Å; E524-L528 WeakPolarHBondContact OE2-CD2 3.33Å
525	H	82.8	Confident	91.6	Very high	81 Å²	81	47.6 Å²	47.6	38%	0.375	24%	0.236	S	C	.	.	S	Bend	trans	-83.3	-24.8	178.5	-72.8	-78.5	0	0	0	113.1	R448	R448-H525 PolarHBondContact NH1-CD2 2.68Å; R448-H525 PolarHBondContact NH1-NE2 2.98Å
526	K	87	Confident	91.7	Very high	167 Å²	167	47.7 Å²	47.7	73%	0.726	24%	0.236	S	C	*	.	S	Bend	trans	-95	146.4	-178.8	-65.7	-176.7	179.7	-179.3	0	109.5	L528	K526-L528 PolarHBondContact O-N 3.3Å
527	P	91.5	Very high	91.7	Very high	28 Å²	28	46.9 Å²	46.9	18%	0.182	23%	0.231	C	C	.	.			trans	-64.3	136.1	172.3	27.4	-32	0	0	0	109	C518 I519 W520 W529 I530	C518-P527 HydrophobicContact CB-CB 4.11Å; I519-P527 CarbonylContact O-C 3.56Å; W520-P527 HydrophobicContact CD2-CB 4.08Å; W520-P527 VanDerWaalsContact CE3-CA 3.5Å; W520-P527 HydrophobicContact CE3-CB 3.84Å; W520-P527 HydrophobicContact CH2-CB 3.87Å; W520-P527 HydrophobicContact CH2-CG 4.05Å; W520-P527 HydrophobicContact CZ2-CB 4.09Å; W520-P527 HydrophobicContact CZ3-CB 3.74Å; W520-P527 VanDerWaalsContact CZ3-CD 3.44Å; W520-P527 HydrophobicContact CZ3-CG 4.04Å; W520-P527 VanDerWaalsContact CZ3-N 3.32Å; P527-W529 VanDerWaalsContact C-N 3.3Å; P527-I530 HydrophobicContact CB-CG1 4.06Å; P527-I530 HydrophobicContact CG-CD1 3.76Å; P527-I530 HydrophobicContact CG-CG1 3.74Å
528	L	89.8	Confident	91.7	Very high	45 Å²	45	48.1 Å²	48.1	24%	0.236	24%	0.238	C	C	.	.	S	Bend	trans	-62.3	-44.9	172.7	-73.5	173.6	0	0	0	110.1	L507 I519 R521 E524 K526	L507-L528 HydrophobicContact CD1-CD1 4.48Å; L507-L528 HydrophobicContact CD2-CD1 3.44Å; L507-L528 VanDerWaalsContact CD2-CD1 3.44Å; I519-L528 WeakPolarHBondContact O-CB 3.46Å; I519-L528 PolarHBondContact O-N 3.08Å; R521-L528 HydrophobicContact CB-CD1 3.9Å; R521-L528 HydrophobicContact CB-CD2 4.37Å; R521-L528 HydrophobicContact CB-CG 4.07Å; E524-L528 VanDerWaalsContact OE2-CD2 3.24Å; E524-L528 WeakPolarHBondContact OE2-CD2 3.33Å; K526-L528 PolarHBondContact O-N 3.3Å
529	W	92.3	Very high	91.6	Very high	82 Å²	82	48.4 Å²	48.4	31%	0.311	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	142.7	-177.6	-59.1	113.6	0	0	0	110.7	C518 I519 P527 K564 K565 P566	C518-W529 WeakPolarHBondContact CA-O 3.33Å; I519-W529 HydrophobicContact CB-CB 4.32Å; I519-W529 HydrophobicContact CD1-CB 4.29Å; I519-W529 PolarHBondContact N-O 3.04Å; I519-W529 PolarHBondContact O-N 3.13Å; P527-W529 VanDerWaalsContact C-N 3.3Å; W529-K564 VanDerWaalsContact CZ2-C 3.43Å; W529-K565 HydrophobicContact CE3-CB 4.19Å; W529-K565 HydrophobicContact CE3-CG 4.13Å; W529-K565 HydrophobicContact CH2-CB 4.11Å; W529-K565 HydrophobicContact CZ3-CB 3.83Å; W529-K565 HydrophobicContact CZ3-CG 4.14Å; W529-P566 HydrophobicContact CB-CG 3.72Å; W529-P566 HydrophobicContact CD2-CG 4.39Å; W529-P566 HydrophobicContact CG-CG 3.73Å
530	I	94.3	Very high	91.7	Very high	83 Å²	83	48.8 Å²	48.8	43%	0.426	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.2	174.1	-54	178.7	0	0	0	107.5	T516 P527	T516-I530 HydrophobicContact CG2-CG2 4.02Å; P527-I530 HydrophobicContact CB-CG1 4.06Å; P527-I530 HydrophobicContact CG-CD1 3.76Å; P527-I530 HydrophobicContact CG-CG1 3.74Å
531	M	93.5	Very high	91.8	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.044	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.6	175.1	-59.7	176.6	-64.4	0	0	108.1	T516 C517 I519 T549 W559 P566	T516-M531 CarbonylContact C-O 3.53Å; T516-M531 VanDerWaalsContact CA-O 3.29Å; T516-M531 WeakPolarHBondContact CA-O 3.4Å; C517-M531 HydrophobicContact CB-CB 4.28Å; C517-M531 HydrophobicContact CB-CE 3.76Å; C517-M531 PolarHBondContact N-O 2.78Å; C517-M531 PolarHBondContact O-N 3.14Å; C517-M531 WeakPolarHBondContact SG-CE 3.49Å; I519-M531 HydrophobicContact CD1-CE 4.05Å; I519-M531 HydrophobicContact CD1-SD 4.39Å; I519-M531 HydrophobicContact CG1-CE 4.07Å; M531-T549 HydrophobicContact CE-CG2 4.41Å; M531-W559 HydrophobicContact CB-CH2 4.36Å; M531-W559 HydrophobicContact CB-CZ2 4.28Å; M531-W559 HydrophobicContact CE-CG 4.35Å; M531-W559 HydrophobicContact CG-CE3 4.42Å; M531-W559 HydrophobicContact CG-CZ3 4.49Å; M531-W559 HydrophobicContact SD-CB 4.07Å; M531-W559 HydrophobicContact SD-CD2 3.42Å; M531-W559 HydrophobicContact SD-CE3 3.7Å; M531-W559 HydrophobicContact SD-CG 3.58Å; M531-W559 VanDerWaalsContact SD-CG 3.58Å; M531-W559 HydrophobicContact SD-CZ2 4.45Å; M531-W559 HydrophobicContact SD-CZ3 4.32Å; M531-P566 HydrophobicContact CG-CB 4.18Å; M531-P566 HydrophobicContact CG-CG 4.22Å; M531-P566 HydrophobicContact SD-CB 3.62Å; M531-P566 HydrophobicContact SD-CG 3.99Å
532	K	93.6	Very high	92	Very high	172 Å²	172	47.4 Å²	47.4	75%	0.748	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	136.3	-178.5	-65.2	-173.1	177	-174.9	0	110.4	T516	T516-K532 HydrophobicContact CG2-CG 4.32Å
533	H	94.8	Very high	92.1	Very high	23 Å²	23	51.3 Å²	51.3	11%	0.106	25%	0.251	C	S	.	.			trans	-122.3	167.6	179.5	-67.3	-106.6	0	0	0	110.4	C515 I537 T549 E551 N557 W559	C515-H533 WeakPolarHBondContact CB-O 3.26Å; C515-H533 WeakPolarHBondContact O-CB 3.3Å; C515-H533 PolarHBondContact O-N 2.92Å; H533-I537 HydrophobicContact CB-CD1 4.23Å; H533-I537 HydrophobicContact CB-CG1 4.34Å; H533-I537 WeakPolarHBondContact CD2-CD1 3.47Å; H533-T549 PolarHBondContact CE1-OG1 3.02Å; H533-E551 HydrophobicContact CB-CG 4.43Å; H533-E551 IonicContact CE1-OE1 3.32Å; H533-E551 IonicContact CG-OE1 2.76Å; H533-E551 IonicContact ND1-OE1 3.7Å; H533-E551 PolarHBondContact ND1-OE1 3.18Å; H533-N557 PolarHBondContact CE1-ND2 2.82Å; H533-N557 PolarHBondContact ND1-ND2 3.18Å; H533-N557 VanDerWaalsContact ND1-ND2 3.11Å; H533-W559 AromaticContact CE1-CE2 3.93Å; H533-W559 AromaticContact CE1-CZ2 3.49Å; H533-W559 VanDerWaalsContact CE1-CZ2 3.49Å; H533-W559 WeakPolarHBondContact CE1-CZ2 3.44Å; H533-W559 AromaticContact CE1-NE1 3.76Å; H533-W559 AromaticContact NE2-CE2 3.94Å; H533-W559 AromaticContact NE2-CZ2 3.5Å; H533-W559 AromaticContact NE2-NE1 3.9Å
534	S	91.8	Very high	92.3	Very high	85 Å²	85	49.8 Å²	49.8	59%	0.594	25%	0.246	S	C	*	.	S	Bend	trans	-78.7	-24.7	176.8	38.7	0	0	0	0	113.6	E551	S534-E551 PolarHBondContact OG-OE2 2.77Å
535	T	96.2	Very high	92.6	Very high	33 Å²	33	51.4 Å²	51.4	20%	0.202	25%	0.251	C	S	.	.	S	Bend	trans	-139.2	163.4	-174.4	63.2	0	0	0	0	111.5	E551 S553	T535-E551 WeakPolarHBondContact OG1-CB 3.09Å; T535-E551 PolarHBondContact OG1-OE2 2.91Å; T535-S553 PolarHBondContact OG1-N 2.81Å; T535-S553 PolarHBondContact OG1-OG 2.85Å
536	P	96.9	Very high	93.1	Very high	33 Å²	33	48.8 Å²	48.8	21%	0.214	24%	0.239	C	C	.	.			trans	-51.8	142.7	179.1	-33.5	39.3	0	0	0	113.5	V513 H552	V513-P536 HydrophobicContact CG1-CG 4.35Å; P536-H552 HydrophobicContact CB-CB 4.2Å; P536-H552 PolarHBondContact O-N 3.16Å
537	I	97.2	Very high	93.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	107.9	-176.2	-53.5	-174.6	0	0	0	109.5	L458 S512 T516 C517 H533 V540	L458-I537 WeakPolarHBondContact CD1-O 3.49Å; S512-I537 PolarHBondContact O-N 3.31Å; T516-I537 WeakPolarHBondContact O-CD1 3.29Å; C517-I537 HydrophobicContact CB-CD1 3.4Å; C517-I537 VanDerWaalsContact CB-CD1 3.4Å; H533-I537 HydrophobicContact CB-CD1 4.23Å; H533-I537 HydrophobicContact CB-CG1 4.34Å; H533-I537 WeakPolarHBondContact CD2-CD1 3.47Å; I537-V540 HydrophobicContact CG2-CG1 3.7Å
538	T	95.6	Very high	93.7	Very high	26 Å²	26	39.5 Å²	39.5	16%	0.16	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-22.2	-169.4	48.9	0	0	0	0	113.2	L458 G550 H552 V578 I579	L458-T538 HydrophobicContact CD1-CG2 4.15Å; T538-G550 PolarHBondContact N-O 2.98Å; T538-G550 PolarHBondContact OG1-O 2.95Å; T538-H552 HydrophobicContact CG2-CB 4.35Å; T538-V578 HydrophobicContact CG2-CG1 3.75Å; T538-I579 WeakPolarHBondContact CB-O 3.37Å; T538-I579 PolarHBondContact OG1-O 2.77Å
539	S	95	Very high	94.1	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.049	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	144.8	176.6	57	0	0	0	0	111.6	C459 G550 I579 L582	C459-S539 VanDerWaalsContact SG-CA 3.58Å; S539-G550 PolarHBondContact N-O 3.07Å; S539-G550 PolarHBondContact O-N 2.86Å; S539-I579 VanDerWaalsContact OG-CG2 3.28Å; S539-I579 WeakPolarHBondContact OG-CG2 3.44Å; S539-L582 WeakPolarHBondContact OG-CD2 3.46Å
540	V	96.6	Very high	94.3	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.5	179.1	-64.9	0	0	0	0	109.9	C459 W461 V509 I537 T548 T549	C459-V540 HydrophobicContact CB-CG2 4.11Å; W461-V540 HydrophobicContact CB-CG2 4.11Å; V509-V540 HydrophobicContact CB-CG2 4.48Å; V509-V540 HydrophobicContact CG1-CB 3.96Å; V509-V540 HydrophobicContact CG1-CG1 4.09Å; V509-V540 HydrophobicContact CG1-CG2 4.21Å; I537-V540 HydrophobicContact CG2-CG1 3.7Å; V540-T548 CarbonylContact C-O 3.56Å; V540-T548 WeakPolarHBondContact CA-O 3.34Å; V540-T549 HydrophobicContact CG1-CG2 4.36Å
541	G	94.5	Very high	94.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	144.9	171.7	0	0	0	0	0	110.6	C547 T548	G541-C547 CarbonylContact O-C 3.59Å; G541-C547 VanDerWaalsContact O-CA 3.31Å; G541-C547 WeakPolarHBondContact O-CA 3.5Å; G541-T548 PolarHBondContact N-O 2.69Å; G541-T548 PolarHBondContact O-N 3.29Å
542	L	93.4	Very high	94.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.9	-179.9	-178.6	70	0	0	0	109.9	W461 D463 L507 V509 C547 I561	W461-L542 VanDerWaalsContact CD1-N 3.33Å; W461-L542 PolarHBondContact NE1-O 2.72Å; D463-L542 HydrophobicContact CB-CB 4.2Å; D463-L542 HydrophobicContact CB-CD2 3.43Å; D463-L542 VanDerWaalsContact CB-CD2 3.43Å; D463-L542 HydrophobicContact CB-CG 3.65Å; L507-L542 HydrophobicContact CB-CD2 3.9Å; V509-L542 HydrophobicContact CB-CB 4.49Å; V509-L542 HydrophobicContact CG2-CB 3.68Å; V509-L542 HydrophobicContact CG2-CD1 3.95Å; V509-L542 HydrophobicContact CG2-CD2 3.7Å; V509-L542 HydrophobicContact CG2-CG 3.96Å; L542-C547 HydrophobicContact CD1-CB 3.86Å; L542-I561 HydrophobicContact CD1-CD1 3.22Å
543	R	89.7	Confident	94.6	Very high	101 Å²	101	28 Å²	28	38%	0.381	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	111.3	173.9	-172.6	179.6	176.2	79.5	2.7	109.7	T465 Y545 I546 F584 N586	T465-R543 HydrophobicContact CG2-CG 4.12Å; R543-Y545 PolarHBondContact O-N 3.21Å; R543-I546 PolarHBondContact N-O 3.45Å; R543-I546 PolarHBondContact O-N 2.72Å; R543-I546 VanDerWaalsContact O-N 3.07Å; R543-F584 HydrophobicContact CB-CD2 4.44Å; R543-F584 HydrophobicContact CB-CE2 3.51Å; R543-F584 HydrophobicContact CB-CZ 3.63Å; R543-N586 PolarHBondContact NE-OD1 3.06Å; R543-N586 PolarHBondContact NH2-OD1 3.11Å
544	G	87.4	Confident	94.6	Very high	13 Å²	13	27 Å²	27	13%	0.134	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-120.7	-178.1	0	0	0	0	0	111	D463 T465 W468	D463-G544 PolarHBondContact OD2-N 3.45Å; T465-G544 PolarHBondContact OG1-N 3.12Å; W468-G544 WeakPolarHBondContact CZ2-O 3.42Å
545	Y	90.1	Very high	94.8	Very high	84 Å²	84	27.1 Å²	27.1	33%	0.329	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	4.8	-178.5	-60.1	-75.4	0	0	0	114.3	K466 W468 R543 R560 I561 Q934	K466-Y545 PolarHBondContact NZ-OH 3.38Å; W468-Y545 AromaticContact CH2-CD1 3.67Å; W468-Y545 HydrophobicContact CH2-CD1 3.67Å; W468-Y545 AromaticContact CH2-CE1 3.96Å; W468-Y545 HydrophobicContact CH2-CE1 3.96Å; W468-Y545 HydrophobicContact CZ2-CD1 4.18Å; W468-Y545 HydrophobicContact CZ3-CD1 4.48Å; W468-Y545 HydrophobicContact CZ3-CE1 4.39Å; R543-Y545 PolarHBondContact O-N 3.21Å; Y545-R560 CarbonylContact O-C 3.57Å; Y545-R560 WeakPolarHBondContact O-CA 3.44Å; Y545-I561 WeakPolarHBondContact CB-O 3.24Å; Y545-I561 VanDerWaalsContact CD1-O 3.3Å; Y545-I561 WeakPolarHBondContact CD1-O 3.2Å; Y545-I561 PolarHBondContact O-N 3.01Å; Y545-Q934 WeakPolarHBondContact CE2-O 3.36Å
546	I	93.1	Very high	94.8	Very high	26 Å²	26	25.5 Å²	25.5	13%	0.133	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.8	-176.5	-57.9	-63.7	0	0	0	110.2	R543 T548 V558 W559 I569 F584 I603	R543-I546 PolarHBondContact N-O 3.45Å; R543-I546 PolarHBondContact O-N 2.72Å; R543-I546 VanDerWaalsContact O-N 3.07Å; I546-T548 HydrophobicContact CG2-CG2 4.29Å; I546-V558 HydrophobicContact CG2-CG1 3.71Å; I546-W559 WeakPolarHBondContact CA-O 3.48Å; I546-I569 HydrophobicContact CD1-CD1 3.9Å; I546-F584 HydrophobicContact CB-CE2 4.28Å; I546-F584 HydrophobicContact CG2-CE2 4.09Å; I546-F584 HydrophobicContact CG2-CZ 4.41Å; I546-I603 HydrophobicContact CG2-CD1 3.63Å; I546-I603 HydrophobicContact CG2-CG1 4.16Å
547	C	95.3	Very high	94.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.9	168.9	170.4	0	0	0	0	110	G541 L542 W559 I561	G541-C547 CarbonylContact O-C 3.59Å; G541-C547 VanDerWaalsContact O-CA 3.31Å; G541-C547 WeakPolarHBondContact O-CA 3.5Å; L542-C547 HydrophobicContact CD1-CB 3.86Å; C547-W559 HydrophobicContact CB-CB 4.3Å; C547-W559 PolarHBondContact N-O 2.93Å; C547-W559 PolarHBondContact O-N 3.35Å; C547-I561 HydrophobicContact CB-CD1 3.25Å; C547-I561 HydrophobicContact CB-CG1 4.05Å
548	T	97.1	Very high	94.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.2	178.4	57	0	0	0	0	109.3	V540 G541 I546 N557 V558 L582 F584 L589 I603	V540-T548 CarbonylContact C-O 3.56Å; V540-T548 WeakPolarHBondContact CA-O 3.34Å; G541-T548 PolarHBondContact N-O 2.69Å; G541-T548 PolarHBondContact O-N 3.29Å; I546-T548 HydrophobicContact CG2-CG2 4.29Å; T548-N557 WeakPolarHBondContact CA-O 3.45Å; T548-V558 HydrophobicContact CG2-CG1 4.19Å; T548-V558 HydrophobicContact CG2-CG2 4.25Å; T548-L582 WeakPolarHBondContact OG1-CD1 3.38Å; T548-F584 HydrophobicContact CG2-CD1 4.01Å; T548-F584 HydrophobicContact CG2-CE1 3.91Å; T548-F584 HydrophobicContact CG2-CG 4.42Å; T548-F584 HydrophobicContact CG2-CZ 4.21Å; T548-F584 WeakPolarHBondContact OG1-CD1 3.44Å; T548-F584 WeakPolarHBondContact OG1-CE1 3.27Å; T548-L589 HydrophobicContact CG2-CD1 4.3Å; T548-L589 HydrophobicContact CG2-CD2 4.25Å; T548-I603 HydrophobicContact CG2-CD1 3.93Å
549	T	97.6	Very high	94.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.4	-179.4	56.5	0	0	0	0	109.2	C517 M531 H533 V540 I556 N557 W559	C517-T549 HydrophobicContact CB-CG2 3.8Å; C517-T549 VanDerWaalsContact SG-CG2 3.51Å; M531-T549 HydrophobicContact CE-CG2 4.41Å; H533-T549 PolarHBondContact CE1-OG1 3.02Å; V540-T549 HydrophobicContact CG1-CG2 4.36Å; T549-I556 WeakPolarHBondContact O-CA 3.3Å; T549-N557 PolarHBondContact N-O 3.39Å; T549-N557 PolarHBondContact O-N 2.82Å; T549-N557 WeakPolarHBondContact OG1-CB 3.38Å; T549-N557 PolarHBondContact OG1-O 3.13Å; T549-W559 PolarHBondContact OG1-NE1 2.74Å; T549-W559 VanDerWaalsContact OG1-NE1 3.12Å
550	G	96.9	Very high	94.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.9	172.4	0	0	0	0	0	110.8	T538 S539	T538-G550 PolarHBondContact N-O 2.98Å; T538-G550 PolarHBondContact OG1-O 2.95Å; S539-G550 PolarHBondContact N-O 3.07Å; S539-G550 PolarHBondContact O-N 2.86Å
551	E	96.5	Very high	94.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	159.2	-176.4	-69	-172.1	-144	0	0	112.8	H533 S534 T535 S553 G554 R555 N557 I579	H533-E551 HydrophobicContact CB-CG 4.43Å; H533-E551 IonicContact CE1-OE1 3.32Å; H533-E551 IonicContact CG-OE1 2.76Å; H533-E551 IonicContact ND1-OE1 3.7Å; H533-E551 PolarHBondContact ND1-OE1 3.18Å; S534-E551 PolarHBondContact OG-OE2 2.77Å; T535-E551 WeakPolarHBondContact OG1-CB 3.09Å; T535-E551 PolarHBondContact OG1-OE2 2.91Å; E551-S553 PolarHBondContact O-N 2.87Å; E551-S553 PolarHBondContact OE2-OG 2.92Å; E551-G554 PolarHBondContact O-N 2.77Å; E551-G554 VanDerWaalsContact O-N 3.14Å; E551-R555 HydrophobicContact CB-CB 4.33Å; E551-R555 VanDerWaalsContact CB-O 3.31Å; E551-R555 WeakPolarHBondContact CB-O 3.47Å; E551-R555 PolarHBondContact N-O 3.42Å; E551-N557 PolarHBondContact OE1-ND2 3.01Å; E551-I579 PolarHBondContact O-N 2.69Å
552	H	96.5	Very high	93.9	Very high	93 Å²	93	28.8 Å²	28.8	43%	0.431	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.5	171.1	-169.8	-74.7	0	0	0	112.7	P536 T538 G554 V578	P536-H552 HydrophobicContact CB-CB 4.2Å; P536-H552 PolarHBondContact O-N 3.16Å; T538-H552 HydrophobicContact CG2-CB 4.35Å; H552-G554 PolarHBondContact O-N 2.84Å; H552-V578 HydrophobicContact CB-CG2 4.49Å; H552-V578 WeakPolarHBondContact CD2-CG2 3.12Å; H552-V578 VanDerWaalsContact CE1-CG2 3.42Å; H552-V578 WeakPolarHBondContact CE1-CG2 3.34Å; H552-V578 VanDerWaalsContact NE2-CG2 3.26Å; H552-V578 WeakPolarHBondContact NE2-CG2 3.4Å; H552-V578 WeakPolarHBondContact O-CA 3.44Å; H552-V578 WeakPolarHBondContact O-CG2 3.32Å
553	S	94.3	Very high	93.2	Very high	55 Å²	55	33.6 Å²	33.6	39%	0.385	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-8.2	175.7	60	0	0	0	0	114.8	T535 E551 R555	T535-S553 PolarHBondContact OG1-N 2.81Å; T535-S553 PolarHBondContact OG1-OG 2.85Å; E551-S553 PolarHBondContact O-N 2.87Å; E551-S553 PolarHBondContact OE2-OG 2.92Å; S553-R555 VanDerWaalsContact C-N 3.28Å; S553-R555 WeakPolarHBondContact OG-CB 3.1Å; S553-R555 PolarHBondContact OG-N 3.43Å
554	G	94.8	Very high	92.7	Very high	2 Å²	2	37 Å²	37	2%	0.021	18%	0.179	C	C	.	.	S	Bend	trans	85.1	-2.2	-169.9	0	0	0	0	0	113.7	E551 H552 D577	E551-G554 PolarHBondContact O-N 2.77Å; E551-G554 VanDerWaalsContact O-N 3.14Å; H552-G554 PolarHBondContact O-N 2.84Å; G554-D577 VanDerWaalsContact CA-O 3.28Å; G554-D577 WeakPolarHBondContact CA-O 3.2Å
555	R	96	Very high	92.7	Very high	87 Å²	87	43.4 Å²	43.4	33%	0.328	20%	0.204	S	C	.	.			trans	-75.6	141.1	174.2	-174.5	177.8	175.7	159	4.8	110.9	E551 S553 N557 V571 T573	E551-R555 HydrophobicContact CB-CB 4.33Å; E551-R555 VanDerWaalsContact CB-O 3.31Å; E551-R555 WeakPolarHBondContact CB-O 3.47Å; E551-R555 PolarHBondContact N-O 3.42Å; S553-R555 VanDerWaalsContact C-N 3.28Å; S553-R555 WeakPolarHBondContact OG-CB 3.1Å; S553-R555 PolarHBondContact OG-N 3.43Å; R555-N557 PolarHBondContact NE-OD1 2.82Å; R555-V571 HydrophobicContact CG-CG1 4Å; R555-T573 HydrophobicContact CG-CG2 4.46Å
556	I	97.2	Very high	92.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.1	174	-56.3	142.3	0	0	0	108.5	T549 L572 I579 L589 T591 W601	T549-I556 WeakPolarHBondContact O-CA 3.3Å; I556-L572 HydrophobicContact CB-CB 4.18Å; I556-L572 HydrophobicContact CG2-CD1 4.29Å; I556-L572 PolarHBondContact N-O 2.93Å; I556-L572 PolarHBondContact O-N 2.88Å; I556-I579 HydrophobicContact CD1-CD1 4.09Å; I556-I579 HydrophobicContact CG1-CD1 4.04Å; I556-I579 HydrophobicContact CG1-CG1 3.97Å; I556-L589 HydrophobicContact CG2-CD2 3.9Å; I556-T591 HydrophobicContact CD1-CG2 3.54Å; I556-T591 HydrophobicContact CG1-CG2 4.11Å; I556-W601 HydrophobicContact CD1-CZ2 4.07Å
557	N	96.4	Very high	92.9	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.032	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.6	176.9	-62.8	-25.2	0	0	0	109.5	H533 T548 T549 E551 R555 W559 L568	H533-N557 PolarHBondContact CE1-ND2 2.82Å; H533-N557 PolarHBondContact ND1-ND2 3.18Å; H533-N557 VanDerWaalsContact ND1-ND2 3.11Å; T548-N557 WeakPolarHBondContact CA-O 3.45Å; T549-N557 PolarHBondContact N-O 3.39Å; T549-N557 PolarHBondContact O-N 2.82Å; T549-N557 WeakPolarHBondContact OG1-CB 3.38Å; T549-N557 PolarHBondContact OG1-O 3.13Å; E551-N557 PolarHBondContact OE1-ND2 3.01Å; R555-N557 PolarHBondContact NE-OD1 2.82Å; N557-W559 HydrophobicContact CB-CZ2 4.03Å; N557-L568 HydrophobicContact CB-CD1 3.66Å
558	V	96.5	Very high	92.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.2	175	-171.5	0	0	0	0	108	I546 T548 I569 K570 L572 L589 I603	I546-V558 HydrophobicContact CG2-CG1 3.71Å; T548-V558 HydrophobicContact CG2-CG1 4.19Å; T548-V558 HydrophobicContact CG2-CG2 4.25Å; V558-I569 HydrophobicContact CB-CG1 4.09Å; V558-I569 HydrophobicContact CG1-CD1 3.8Å; V558-I569 HydrophobicContact CG1-CG1 3.9Å; V558-I569 WeakPolarHBondContact O-CG1 3.12Å; V558-I569 PolarHBondContact O-N 2.8Å; V558-K570 HydrophobicContact CB-CB 4.02Å; V558-K570 HydrophobicContact CG2-CB 4.1Å; V558-K570 PolarHBondContact N-O 2.84Å; V558-K570 PolarHBondContact O-N 3.16Å; V558-L572 HydrophobicContact CG2-CD1 4.03Å; V558-L572 HydrophobicContact CG2-CG 4.48Å; V558-L589 HydrophobicContact CG2-CD2 4.42Å; V558-I603 HydrophobicContact CG1-CD1 4.49Å; V558-I603 HydrophobicContact CG1-CG1 4.03Å
559	W	95.8	Very high	92.6	Very high	25 Å²	25	50.8 Å²	50.8	10%	0.095	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.7	-174.2	-54.3	90.1	0	0	0	109.9	M531 H533 I546 C547 T549 N557 P566 I567 L568	M531-W559 HydrophobicContact CB-CH2 4.36Å; M531-W559 HydrophobicContact CB-CZ2 4.28Å; M531-W559 HydrophobicContact CE-CG 4.35Å; M531-W559 HydrophobicContact CG-CE3 4.42Å; M531-W559 HydrophobicContact CG-CZ3 4.49Å; M531-W559 HydrophobicContact SD-CB 4.07Å; M531-W559 HydrophobicContact SD-CD2 3.42Å; M531-W559 HydrophobicContact SD-CE3 3.7Å; M531-W559 HydrophobicContact SD-CG 3.58Å; M531-W559 VanDerWaalsContact SD-CG 3.58Å; M531-W559 HydrophobicContact SD-CZ2 4.45Å; M531-W559 HydrophobicContact SD-CZ3 4.32Å; H533-W559 AromaticContact CE1-CE2 3.93Å; H533-W559 AromaticContact CE1-CZ2 3.49Å; H533-W559 VanDerWaalsContact CE1-CZ2 3.49Å; H533-W559 WeakPolarHBondContact CE1-CZ2 3.44Å; H533-W559 AromaticContact CE1-NE1 3.76Å; H533-W559 AromaticContact NE2-CE2 3.94Å; H533-W559 AromaticContact NE2-CZ2 3.5Å; H533-W559 AromaticContact NE2-NE1 3.9Å; I546-W559 WeakPolarHBondContact CA-O 3.48Å; C547-W559 HydrophobicContact CB-CB 4.3Å; C547-W559 PolarHBondContact N-O 2.93Å; C547-W559 PolarHBondContact O-N 3.35Å; T549-W559 PolarHBondContact OG1-NE1 2.74Å; T549-W559 VanDerWaalsContact OG1-NE1 3.12Å; N557-W559 HydrophobicContact CB-CZ2 4.03Å; W559-P566 HydrophobicContact CE3-CB 4.4Å; W559-I567 CarbonylContact C-O 3.59Å; W559-I567 WeakPolarHBondContact CA-O 3.18Å; W559-L568 HydrophobicContact CD2-CD1 4.04Å; W559-L568 HydrophobicContact CE3-CB 3.81Å; W559-L568 HydrophobicContact CE3-CD1 4.13Å; W559-L568 HydrophobicContact CH2-CB 4.12Å; W559-L568 HydrophobicContact CH2-CD1 4.07Å; W559-L568 HydrophobicContact CH2-CG 4.47Å; W559-L568 HydrophobicContact CZ2-CD1 3.97Å; W559-L568 HydrophobicContact CZ3-CB 3.58Å; W559-L568 HydrophobicContact CZ3-CD1 4.16Å; W559-L568 HydrophobicContact CZ3-CG 4.37Å
560	R	92.4	Very high	92.4	Very high	82 Å²	82	51.4 Å²	51.4	31%	0.309	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.1	164.5	-172.4	179.6	-176.7	121.3	-4.2	108.9	Y545 P566 I567 I569 L932	Y545-R560 CarbonylContact O-C 3.57Å; Y545-R560 WeakPolarHBondContact O-CA 3.44Å; R560-P566 WeakPolarHBondContact O-CA 3.46Å; R560-I567 PolarHBondContact N-O 2.87Å; R560-I567 PolarHBondContact O-N 2.86Å; R560-I569 HydrophobicContact CB-CD1 4.48Å; R560-I569 HydrophobicContact CB-CG2 3.77Å; R560-L932 VanDerWaalsContact NH1-CD2 3.26Å
561	I	90.2	Very high	92.4	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	26%	0.264	C	S	.	.			trans	-101.8	142.7	176.1	-58.1	164.3	0	0	0	108.2	W468 I519 L542 Y545 C547	W468-I561 HydrophobicContact CH2-CB 4.42Å; W468-I561 HydrophobicContact CH2-CG2 3.8Å; W468-I561 HydrophobicContact CZ2-CG2 4.3Å; W468-I561 HydrophobicContact CZ3-CG2 4.49Å; I519-I561 HydrophobicContact CD1-CD1 3.51Å; I519-I561 HydrophobicContact CD1-CG1 3.68Å; I519-I561 HydrophobicContact CD1-CG2 4.27Å; I519-I561 HydrophobicContact CG1-CD1 4.46Å; L542-I561 HydrophobicContact CD1-CD1 3.22Å; Y545-I561 WeakPolarHBondContact CB-O 3.24Å; Y545-I561 VanDerWaalsContact CD1-O 3.3Å; Y545-I561 WeakPolarHBondContact CD1-O 3.2Å; Y545-I561 PolarHBondContact O-N 3.01Å; C547-I561 HydrophobicContact CB-CD1 3.25Å; C547-I561 HydrophobicContact CB-CG1 4.05Å
562	G	84.6	Confident	92.3	Very high	24 Å²	24	53.7 Å²	53.7	25%	0.247	26%	0.264	C	S	.	.	S	Bend	trans	-154.6	-155	170.1	0	0	0	0	0	109.3	K564	G562-K564 PolarHBondContact O-N 2.93Å
563	N	78.1	Confident	92.2	Very high	102 Å²	102	54.1 Å²	54.1	55%	0.545	27%	0.273	S	S	.	.	S	Bend	trans	-72.2	-20.7	174.5	-62.6	-5.7	0	0	0	112.4	Y471	Y471-N563 WeakPolarHBondContact CE2-ND2 3.46Å
564	K	80.2	Confident	92	Very high	172 Å²	172	53.3 Å²	53.3	75%	0.748	27%	0.274	S	S	*	.	S	Bend	trans	-92.8	172.6	177.1	-62.2	-175.7	-179.9	-177.3	0	110.5	W529 G562	W529-K564 VanDerWaalsContact CZ2-C 3.43Å; G562-K564 PolarHBondContact O-N 2.93Å
565	K	87.1	Confident	92	Very high	149 Å²	149	53.8 Å²	53.8	65%	0.648	28%	0.276	S	S	*	.	S	Bend	trans	-49.1	136.2	173.7	-172.1	177.3	179.2	179.7	0	110.6	W529 I567	W529-K565 HydrophobicContact CE3-CB 4.19Å; W529-K565 HydrophobicContact CE3-CG 4.13Å; W529-K565 HydrophobicContact CH2-CB 4.11Å; W529-K565 HydrophobicContact CZ3-CB 3.83Å; W529-K565 HydrophobicContact CZ3-CG 4.14Å; K565-I567 PolarHBondContact O-N 2.85Å
566	P	93.4	Very high	92	Very high	13 Å²	13	55.5 Å²	55.5	8%	0.084	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-54.8	136.8	177.7	-26.8	33.6	0	0	0	111.9	I519 W529 M531 W559 R560	I519-P566 HydrophobicContact CD1-CG 3.77Å; W529-P566 HydrophobicContact CB-CG 3.72Å; W529-P566 HydrophobicContact CD2-CG 4.39Å; W529-P566 HydrophobicContact CG-CG 3.73Å; M531-P566 HydrophobicContact CG-CB 4.18Å; M531-P566 HydrophobicContact CG-CG 4.22Å; M531-P566 HydrophobicContact SD-CB 3.62Å; M531-P566 HydrophobicContact SD-CG 3.99Å; W559-P566 HydrophobicContact CE3-CB 4.4Å; R560-P566 WeakPolarHBondContact O-CA 3.46Å
567	I	93.3	Very high	92	Very high	105 Å²	105	58.5 Å²	58.5	54%	0.538	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.3	-178.5	-58.2	170.1	0	0	0	107.9	W559 R560 K565 I569	W559-I567 CarbonylContact C-O 3.59Å; W559-I567 WeakPolarHBondContact CA-O 3.18Å; R560-I567 PolarHBondContact N-O 2.87Å; R560-I567 PolarHBondContact O-N 2.86Å; K565-I567 PolarHBondContact O-N 2.85Å; I567-I569 HydrophobicContact CG2-CG2 4.46Å; I567-I569 PolarHBondContact O-N 3.47Å
568	L	94.5	Very high	92	Very high	69 Å²	69	58.6 Å²	58.6	36%	0.361	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	117.5	171.3	-177	61.6	0	0	0	108.7	N557 W559 K570 V571	N557-L568 HydrophobicContact CB-CD1 3.66Å; W559-L568 HydrophobicContact CD2-CD1 4.04Å; W559-L568 HydrophobicContact CE3-CB 3.81Å; W559-L568 HydrophobicContact CE3-CD1 4.13Å; W559-L568 HydrophobicContact CH2-CB 4.12Å; W559-L568 HydrophobicContact CH2-CD1 4.07Å; W559-L568 HydrophobicContact CH2-CG 4.47Å; W559-L568 HydrophobicContact CZ2-CD1 3.97Å; W559-L568 HydrophobicContact CZ3-CB 3.58Å; W559-L568 HydrophobicContact CZ3-CD1 4.16Å; W559-L568 HydrophobicContact CZ3-CG 4.37Å; L568-K570 WeakPolarHBondContact CD1-O 3.31Å; L568-V571 HydrophobicContact CD1-CG2 4.29Å; L568-V571 HydrophobicContact CD2-CG2 3.8Å; L568-V571 HydrophobicContact CG-CG2 4.26Å
569	I	93.1	Very high	92	Very high	77 Å²	77	58.6 Å²	58.6	40%	0.395	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-32.4	-179.4	55.7	166.9	0	0	0	112.8	I546 V558 R560 I567	I546-I569 HydrophobicContact CD1-CD1 3.9Å; V558-I569 HydrophobicContact CB-CG1 4.09Å; V558-I569 HydrophobicContact CG1-CD1 3.8Å; V558-I569 HydrophobicContact CG1-CG1 3.9Å; V558-I569 WeakPolarHBondContact O-CG1 3.12Å; V558-I569 PolarHBondContact O-N 2.8Å; R560-I569 HydrophobicContact CB-CD1 4.48Å; R560-I569 HydrophobicContact CB-CG2 3.77Å; I567-I569 HydrophobicContact CG2-CG2 4.46Å; I567-I569 PolarHBondContact O-N 3.47Å
570	K	93.7	Very high	92	Very high	14 Å²	14	58.8 Å²	58.8	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149	176.2	-60.5	-172.2	-179.5	-170.4	0	111.9	V558 L568 L572 S602 I604 G605 F607	V558-K570 HydrophobicContact CB-CB 4.02Å; V558-K570 HydrophobicContact CG2-CB 4.1Å; V558-K570 PolarHBondContact N-O 2.84Å; V558-K570 PolarHBondContact O-N 3.16Å; L568-K570 WeakPolarHBondContact CD1-O 3.31Å; K570-L572 HydrophobicContact CB-CD2 4.33Å; K570-L572 HydrophobicContact CD-CD2 4.23Å; K570-S602 PolarHBondContact NZ-O 2.85Å; K570-I604 PolarHBondContact NZ-O 3.43Å; K570-G605 WeakPolarHBondContact CE-O 3.25Å; K570-G605 PolarHBondContact NZ-O 2.82Å; K570-F607 PolarHBondContact NZ-O 3.09Å
571	V	95	Very high	92.2	Very high	48 Å²	48	55.9 Å²	55.9	29%	0.291	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119	166.2	177.6	0	0	0	0	106.4	R555 L568 T573	R555-V571 HydrophobicContact CG-CG1 4Å; L568-V571 HydrophobicContact CD1-CG2 4.29Å; L568-V571 HydrophobicContact CD2-CG2 3.8Å; L568-V571 HydrophobicContact CG-CG2 4.26Å; V571-T573 HydrophobicContact CG1-CG2 4.07Å
572	L	95.7	Very high	92.5	Very high	1 Å²	1	56 Å²	56	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.5	179.1	-48.4	169.8	0	0	0	107.7	I556 V558 K570 L589 W601 S608	I556-L572 HydrophobicContact CB-CB 4.18Å; I556-L572 HydrophobicContact CG2-CD1 4.29Å; I556-L572 PolarHBondContact N-O 2.93Å; I556-L572 PolarHBondContact O-N 2.88Å; V558-L572 HydrophobicContact CG2-CD1 4.03Å; V558-L572 HydrophobicContact CG2-CG 4.48Å; K570-L572 HydrophobicContact CB-CD2 4.33Å; K570-L572 HydrophobicContact CD-CD2 4.23Å; L572-L589 HydrophobicContact CD1-CD2 3.67Å; L572-W601 HydrophobicContact CB-CD2 4.19Å; L572-W601 HydrophobicContact CB-CE3 3.95Å; L572-W601 HydrophobicContact CB-CH2 4.43Å; L572-W601 HydrophobicContact CB-CZ3 4.07Å; L572-W601 HydrophobicContact CD1-CB 3.81Å; L572-W601 HydrophobicContact CD1-CD2 4.06Å; L572-W601 HydrophobicContact CD1-CE3 4.31Å; L572-W601 HydrophobicContact CD1-CG 3.85Å; L572-W601 HydrophobicContact CD2-CE3 4.2Å; L572-W601 HydrophobicContact CG-CE3 4.38Å; L572-S608 WeakPolarHBondContact CD2-O 3.22Å
573	T	93.6	Very high	93	Very high	101 Å²	101	57.6 Å²	57.6	62%	0.62	31%	0.309	S	S	*	.			trans	-119.9	142.1	179.3	52.5	0	0	0	0	109.1	R555 V571 W601	R555-T573 HydrophobicContact CG-CG2 4.46Å; V571-T573 HydrophobicContact CG1-CG2 4.07Å; T573-W601 WeakPolarHBondContact O-CH2 3.29Å
574	G	89.9	Confident	93.7	Very high	39 Å²	39	53.7 Å²	53.7	40%	0.402	29%	0.287	S	S	.	.			trans	156.1	-20.6	176.3	0	0	0	0	0	114.7	K599	G574-K599 WeakPolarHBondContact O-CE 3.49Å
575	H	96.2	Very high	94	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.056	26%	0.262	C	S	.	.			trans	-72.2	142.9	162.6	-80.4	-66.6	0	0	0	109.9	I579 T591 S593 D595 S597 K599	H575-I579 HydrophobicContact CB-CD1 3.68Å; H575-I579 WeakPolarHBondContact CD2-CD1 3.31Å; H575-T591 PolarHBondContact CD2-OG1 3.26Å; H575-T591 PolarHBondContact NE2-O 2.95Å; H575-T591 PolarHBondContact NE2-OG1 3.01Å; H575-S593 WeakPolarHBondContact ND1-CB 3.36Å; H575-D595 VanDerWaalsContact CA-OD2 3.28Å; H575-D595 WeakPolarHBondContact CA-OD2 3.35Å; H575-D595 WeakPolarHBondContact CB-OD2 3.49Å; H575-D595 IonicContact CE1-OD1 3.89Å; H575-D595 IonicContact CE1-OD2 3.85Å; H575-D595 IonicContact CG-OD2 3.47Å; H575-D595 IonicContact ND1-OD1 3.36Å; H575-D595 PolarHBondContact ND1-OD1 2.94Å; H575-D595 IonicContact ND1-OD2 2.73Å; H575-D595 PolarHBondContact ND1-OD2 3.04Å; H575-S597 PolarHBondContact CE1-OG 2.8Å; H575-S597 PolarHBondContact ND1-OG 2.75Å; H575-K599 WeakPolarHBondContact NE2-CB 3.17Å
576	T	95.4	Very high	93.9	Very high	123 Å²	123	44.1 Å²	44.1	76%	0.755	25%	0.252	S	S	*	.	S	Bend	trans	-102.3	-0.5	-177.9	59.4	0	0	0	0	113.3	D595	T576-D595 PolarHBondContact N-OD2 2.85Å; T576-D595 VanDerWaalsContact N-OD2 3.16Å; T576-D595 VanDerWaalsContact OG1-CB 3.32Å; T576-D595 WeakPolarHBondContact OG1-CB 3.13Å
577	D	96	Very high	93.6	Very high	62 Å²	62	50.2 Å²	50.2	33%	0.332	27%	0.274	S	S	.	.	S	Bend	trans	-151.8	175.9	-176.8	-156.1	-12.7	0	0	0	110.2	G554 I579 S593 K594 D595	G554-D577 VanDerWaalsContact CA-O 3.28Å; G554-D577 WeakPolarHBondContact CA-O 3.2Å; D577-I579 PolarHBondContact O-N 3.39Å; D577-S593 VanDerWaalsContact C-OG 3.29Å; D577-S593 PolarHBondContact O-OG 3.35Å; D577-K594 HydrophobicContact CB-CB 4.12Å; D577-K594 WeakPolarHBondContact OD2-CB 3.34Å; D577-D595 HydrophobicContact CB-CB 3.85Å
578	V	97	Very high	93.5	Very high	8 Å²	8	47.5 Å²	47.5	5%	0.048	26%	0.259	C	S	.	.			trans	-46.3	126.6	-174.8	-178	0	0	0	0	113.2	T538 H552 T580 S593 K594	T538-V578 HydrophobicContact CG2-CG1 3.75Å; H552-V578 HydrophobicContact CB-CG2 4.49Å; H552-V578 WeakPolarHBondContact CD2-CG2 3.12Å; H552-V578 VanDerWaalsContact CE1-CG2 3.42Å; H552-V578 WeakPolarHBondContact CE1-CG2 3.34Å; H552-V578 VanDerWaalsContact NE2-CG2 3.26Å; H552-V578 WeakPolarHBondContact NE2-CG2 3.4Å; H552-V578 WeakPolarHBondContact O-CA 3.44Å; H552-V578 WeakPolarHBondContact O-CG2 3.32Å; V578-T580 PolarHBondContact O-N 2.87Å; V578-S593 WeakPolarHBondContact O-CA 3.47Å; V578-S593 WeakPolarHBondContact O-CB 3.25Å; V578-S593 PolarHBondContact O-OG 2.86Å; V578-K594 HydrophobicContact CB-CD 4.06Å; V578-K594 HydrophobicContact CB-CG 4.19Å; V578-K594 HydrophobicContact CG2-CD 4.29Å; V578-K594 PolarHBondContact O-N 2.84Å
579	I	97.8	Very high	93.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	118	168	-52.8	-56.2	0	0	0	109	T538 S539 E551 I556 H575 D577 S592	T538-I579 WeakPolarHBondContact CB-O 3.37Å; T538-I579 PolarHBondContact OG1-O 2.77Å; S539-I579 VanDerWaalsContact OG-CG2 3.28Å; S539-I579 WeakPolarHBondContact OG-CG2 3.44Å; E551-I579 PolarHBondContact O-N 2.69Å; I556-I579 HydrophobicContact CD1-CD1 4.09Å; I556-I579 HydrophobicContact CG1-CD1 4.04Å; I556-I579 HydrophobicContact CG1-CG1 3.97Å; H575-I579 HydrophobicContact CB-CD1 3.68Å; H575-I579 WeakPolarHBondContact CD2-CD1 3.31Å; D577-I579 PolarHBondContact O-N 3.39Å; I579-S592 CarbonylContact C-O 3.57Å; I579-S592 WeakPolarHBondContact CA-O 3.35Å
580	T	95.8	Very high	93.7	Very high	30 Å²	30	40.6 Å²	40.6	18%	0.184	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-36.5	-175.6	52.8	0	0	0	0	112.7	V578 S592 K594 V620	V578-T580 PolarHBondContact O-N 2.87Å; T580-S592 PolarHBondContact N-O 3.3Å; T580-S592 WeakPolarHBondContact OG1-CB 3.27Å; T580-S592 PolarHBondContact OG1-O 2.8Å; T580-S592 VanDerWaalsContact OG1-O 3.14Å; T580-S592 PolarHBondContact OG1-OG 2.98Å; T580-K594 HydrophobicContact CG2-CG 3.69Å; T580-V620 WeakPolarHBondContact CB-O 3.35Å; T580-V620 VanDerWaalsContact CG2-O 3.3Å; T580-V620 WeakPolarHBondContact CG2-O 3.25Å; T580-V620 PolarHBondContact OG1-O 3.2Å
581	A	95.5	Very high	93.9	Very high	21 Å²	21	39.9 Å²	39.9	17%	0.174	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	157.3	177.3	0	0	0	0	0	110	S592 V623	A581-S592 WeakPolarHBondContact CB-OG 3.35Å; A581-S592 PolarHBondContact N-OG 2.96Å; A581-S592 PolarHBondContact O-N 2.81Å; A581-S592 PolarHBondContact O-OG 2.71Å; A581-V623 HydrophobicContact CB-CG1 4.04Å
582	L	96.5	Very high	94	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.3	174.2	64.1	81.9	0	0	0	110.2	S539 T548 F584 L589 V590 T591	S539-L582 WeakPolarHBondContact OG-CD2 3.46Å; T548-L582 WeakPolarHBondContact OG1-CD1 3.38Å; L582-F584 HydrophobicContact CD1-CD1 4.39Å; L582-L589 HydrophobicContact CB-CD1 4.26Å; L582-L589 HydrophobicContact CD1-CD1 4.4Å; L582-V590 WeakPolarHBondContact CA-O 3.45Å; L582-T591 HydrophobicContact CB-CG2 3.9Å
583	R	95	Very high	94.1	Very high	58 Å²	58	37.6 Å²	37.6	22%	0.219	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	143.5	172	-68.6	-66.1	-172.7	170.7	-1.1	108.5	W461 V590 V623 E624 L625	W461-R583 VanDerWaalsContact CH2-CD 3.4Å; W461-R583 VanDerWaalsContact CZ3-CZ 3.45Å; R583-V590 PolarHBondContact N-O 2.97Å; R583-V590 PolarHBondContact O-N 3.46Å; R583-V623 VanDerWaalsContact CG-O 3.31Å; R583-V623 WeakPolarHBondContact CG-O 3.29Å; R583-E624 IonicContact CZ-OE1 3.78Å; R583-E624 IonicContact CZ-OE2 3.63Å; R583-E624 VanDerWaalsContact NE-CD 3.29Å; R583-E624 IonicContact NE-OE1 2.85Å; R583-E624 PolarHBondContact NE-OE1 3.24Å; R583-E624 IonicContact NE-OE2 2.92Å; R583-E624 PolarHBondContact NE-OE2 3.38Å; R583-E624 VanDerWaalsContact NE-OE2 3.11Å; R583-E624 IonicContact NH2-OE1 3.44Å; R583-E624 PolarHBondContact NH2-OE1 2.96Å; R583-E624 IonicContact NH2-OE2 3.52Å; R583-L625 HydrophobicContact CB-CB 3.9Å
584	F	92.9	Very high	94.3	Very high	20 Å²	20	35.9 Å²	35.9	9%	0.088	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.9	177.4	66.2	-80.8	0	0	0	111.9	R543 I546 T548 L582 H588 L589 I603	R543-F584 HydrophobicContact CB-CD2 4.44Å; R543-F584 HydrophobicContact CB-CE2 3.51Å; R543-F584 HydrophobicContact CB-CZ 3.63Å; I546-F584 HydrophobicContact CB-CE2 4.28Å; I546-F584 HydrophobicContact CG2-CE2 4.09Å; I546-F584 HydrophobicContact CG2-CZ 4.41Å; T548-F584 HydrophobicContact CG2-CD1 4.01Å; T548-F584 HydrophobicContact CG2-CE1 3.91Å; T548-F584 HydrophobicContact CG2-CG 4.42Å; T548-F584 HydrophobicContact CG2-CZ 4.21Å; T548-F584 WeakPolarHBondContact OG1-CD1 3.44Å; T548-F584 WeakPolarHBondContact OG1-CE1 3.27Å; L582-F584 HydrophobicContact CD1-CD1 4.39Å; F584-H588 CarbonylContact C-O 3.54Å; F584-H588 WeakPolarHBondContact CA-O 3.38Å; F584-H588 VanDerWaalsContact CB-O 3.24Å; F584-H588 WeakPolarHBondContact CB-O 3.27Å; F584-L589 HydrophobicContact CB-CB 3.96Å; F584-L589 HydrophobicContact CB-CD1 3.74Å; F584-L589 HydrophobicContact CB-CG 4.46Å; F584-L589 HydrophobicContact CD1-CD1 4.27Å; F584-L589 HydrophobicContact CG-CD1 4.36Å; F584-I603 HydrophobicContact CB-CD1 4.11Å; F584-I603 HydrophobicContact CD2-CD1 3.25Å; F584-I603 HydrophobicContact CE2-CD1 3.7Å; F584-I603 HydrophobicContact CG-CD1 3.82Å
585	D	86.9	Confident	94.6	Very high	41 Å²	41	35.5 Å²	35.5	22%	0.219	18%	0.179	C	C	.	.			trans	-103.2	-159.3	169	67.5	26.9	0	0	0	109.4	Y587 H588 L625	D585-Y587 PolarHBondContact O-N 3.49Å; D585-Y587 WeakPolarHBondContact OD1-CA 3.27Å; D585-Y587 PolarHBondContact OD1-N 3.21Å; D585-H588 PolarHBondContact N-O 2.83Å; D585-H588 IonicContact OD1-CG 2.74Å; D585-H588 PolarHBondContact OD1-N 2.91Å; D585-H588 IonicContact OD1-ND1 3.39Å; D585-H588 IonicContact OD2-ND1 3.24Å; D585-H588 PolarHBondContact OD2-ND1 2.77Å; D585-L625 HydrophobicContact CB-CD2 4.09Å
586	N	84.9	Confident	94.7	Very high	80 Å²	80	40 Å²	40	43%	0.428	20%	0.198	S	C	.	.	S	Bend	trans	-70.1	-20.3	179.7	-65.4	-11.1	0	0	0	113.5	R543 I603 I604	R543-N586 PolarHBondContact NE-OD1 3.06Å; R543-N586 PolarHBondContact NH2-OD1 3.11Å; N586-I603 VanDerWaalsContact O-CG2 3.25Å; N586-I603 WeakPolarHBondContact O-CG2 3.22Å; N586-I604 VanDerWaalsContact O-CD1 3.31Å; N586-I604 WeakPolarHBondContact O-CD1 3.44Å; N586-I604 WeakPolarHBondContact O-CG1 3.32Å
587	Y	87	Confident	94.7	Very high	141 Å²	141	34.6 Å²	34.6	55%	0.553	17%	0.165	S	C	*	.	S	Bend	trans	-123.6	-37.9	-167.5	-56.6	-78.8	0	0	0	113.4	D585 I603 I604	D585-Y587 PolarHBondContact O-N 3.49Å; D585-Y587 WeakPolarHBondContact OD1-CA 3.27Å; D585-Y587 PolarHBondContact OD1-N 3.21Å; Y587-I603 PolarHBondContact O-N 2.93Å; Y587-I604 HydrophobicContact CD1-CD1 3.35Å; Y587-I604 HydrophobicContact CD1-CG1 4.49Å; Y587-I604 HydrophobicContact CE1-CD1 3.76Å; Y587-I604 HydrophobicContact CG-CD1 4.25Å
588	H	90.9	Very high	94.8	Very high	48 Å²	48	31.7 Å²	31.7	22%	0.222	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.8	-171.4	-48	97.6	0	0	0	110.9	F584 D585 W601	F584-H588 CarbonylContact C-O 3.54Å; F584-H588 WeakPolarHBondContact CA-O 3.38Å; F584-H588 VanDerWaalsContact CB-O 3.24Å; F584-H588 WeakPolarHBondContact CB-O 3.27Å; D585-H588 PolarHBondContact N-O 2.83Å; D585-H588 IonicContact OD1-CG 2.74Å; D585-H588 PolarHBondContact OD1-N 2.91Å; D585-H588 IonicContact OD1-ND1 3.39Å; D585-H588 IonicContact OD2-ND1 3.24Å; D585-H588 PolarHBondContact OD2-ND1 2.77Å; H588-W601 WeakPolarHBondContact CA-O 3.18Å
589	L	95.5	Very high	94.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.7	168	166.9	67.9	0	0	0	108.4	T548 I556 V558 L572 L582 F584 T591 I600 W601	T548-L589 HydrophobicContact CG2-CD1 4.3Å; T548-L589 HydrophobicContact CG2-CD2 4.25Å; I556-L589 HydrophobicContact CG2-CD2 3.9Å; V558-L589 HydrophobicContact CG2-CD2 4.42Å; L572-L589 HydrophobicContact CD1-CD2 3.67Å; L582-L589 HydrophobicContact CB-CD1 4.26Å; L582-L589 HydrophobicContact CD1-CD1 4.4Å; F584-L589 HydrophobicContact CB-CB 3.96Å; F584-L589 HydrophobicContact CB-CD1 3.74Å; F584-L589 HydrophobicContact CB-CG 4.46Å; F584-L589 HydrophobicContact CD1-CD1 4.27Å; F584-L589 HydrophobicContact CG-CD1 4.36Å; L589-T591 HydrophobicContact CD1-CG2 4.07Å; L589-T591 HydrophobicContact CD2-CG2 4.38Å; L589-T591 HydrophobicContact CG-CG2 4.01Å; L589-I600 CarbonylContact O-C 3.46Å; L589-I600 WeakPolarHBondContact O-CA 3.26Å; L589-W601 HydrophobicContact CB-CB 4.22Å; L589-W601 PolarHBondContact N-O 3.11Å; L589-W601 PolarHBondContact O-N 2.82Å
590	V	97	Very high	94.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.8	178.2	-177.3	0	0	0	0	108.8	L582 R583 V598 K599 V623 L625 I630 L644	L582-V590 WeakPolarHBondContact CA-O 3.45Å; R583-V590 PolarHBondContact N-O 2.97Å; R583-V590 PolarHBondContact O-N 3.46Å; V590-V598 HydrophobicContact CG1-CG1 3.37Å; V590-K599 WeakPolarHBondContact CA-O 3.31Å; V590-V623 HydrophobicContact CG1-CG2 3.68Å; V590-L625 HydrophobicContact CG2-CD1 4.16Å; V590-L625 HydrophobicContact CG2-CD2 4.15Å; V590-I630 HydrophobicContact CG1-CD1 3.93Å; V590-I630 HydrophobicContact CG1-CG1 4.17Å; V590-I630 HydrophobicContact CG1-CG2 3.98Å; V590-I630 HydrophobicContact CG2-CD1 3.82Å; V590-I630 HydrophobicContact CG2-CG1 4.04Å; V590-L644 HydrophobicContact CG2-CD1 4.17Å
591	T	97.8	Very high	94.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.5	-176.3	57	0	0	0	0	110.8	I556 H575 L582 L589 V598 K599 W601	I556-T591 HydrophobicContact CD1-CG2 3.54Å; I556-T591 HydrophobicContact CG1-CG2 4.11Å; H575-T591 PolarHBondContact CD2-OG1 3.26Å; H575-T591 PolarHBondContact NE2-O 2.95Å; H575-T591 PolarHBondContact NE2-OG1 3.01Å; L582-T591 HydrophobicContact CB-CG2 3.9Å; L589-T591 HydrophobicContact CD1-CG2 4.07Å; L589-T591 HydrophobicContact CD2-CG2 4.38Å; L589-T591 HydrophobicContact CG-CG2 4.01Å; T591-V598 CarbonylContact O-C 3.6Å; T591-V598 WeakPolarHBondContact O-CA 3.17Å; T591-V598 WeakPolarHBondContact O-CG1 3.48Å; T591-K599 PolarHBondContact N-O 2.97Å; T591-K599 PolarHBondContact O-N 3.25Å; T591-W601 PolarHBondContact OG1-NE1 2.65Å
592	S	97.3	Very high	94.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	148.1	171.1	57.6	0	0	0	0	110.9	I579 T580 A581	I579-S592 CarbonylContact C-O 3.57Å; I579-S592 WeakPolarHBondContact CA-O 3.35Å; T580-S592 PolarHBondContact N-O 3.3Å; T580-S592 WeakPolarHBondContact OG1-CB 3.27Å; T580-S592 PolarHBondContact OG1-O 2.8Å; T580-S592 VanDerWaalsContact OG1-O 3.14Å; T580-S592 PolarHBondContact OG1-OG 2.98Å; A581-S592 WeakPolarHBondContact CB-OG 3.35Å; A581-S592 PolarHBondContact N-OG 2.96Å; A581-S592 PolarHBondContact O-N 2.81Å; A581-S592 PolarHBondContact O-OG 2.71Å
593	S	97.9	Very high	94.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	161.8	179.4	172.1	0	0	0	0	112.6	H575 D577 V578 D595 S597 V620	H575-S593 WeakPolarHBondContact ND1-CB 3.36Å; D577-S593 VanDerWaalsContact C-OG 3.29Å; D577-S593 PolarHBondContact O-OG 3.35Å; V578-S593 WeakPolarHBondContact O-CA 3.47Å; V578-S593 WeakPolarHBondContact O-CB 3.25Å; V578-S593 PolarHBondContact O-OG 2.86Å; S593-D595 VanDerWaalsContact CB-OD1 3.3Å; S593-D595 WeakPolarHBondContact CB-OD1 3.16Å; S593-D595 PolarHBondContact O-N 3.28Å; S593-D595 VanDerWaalsContact OG-CG 3.28Å; S593-D595 PolarHBondContact OG-N 2.69Å; S593-D595 PolarHBondContact OG-OD1 3.37Å; S593-S597 PolarHBondContact N-O 2.92Å; S593-S597 VanDerWaalsContact N-O 3.11Å; S593-V620 PolarHBondContact O-N 2.83Å; S593-V620 VanDerWaalsContact O-N 3.09Å
594	K	97.3	Very high	93.8	Very high	66 Å²	66	33 Å²	33	29%	0.287	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.1	166.7	-69.3	-167.8	177.9	-176.4	0	113.6	D577 V578 T580 K596 E619	D577-K594 HydrophobicContact CB-CB 4.12Å; D577-K594 WeakPolarHBondContact OD2-CB 3.34Å; V578-K594 HydrophobicContact CB-CD 4.06Å; V578-K594 HydrophobicContact CB-CG 4.19Å; V578-K594 HydrophobicContact CG2-CD 4.29Å; V578-K594 PolarHBondContact O-N 2.84Å; T580-K594 HydrophobicContact CG2-CG 3.69Å; K594-K596 PolarHBondContact O-N 2.96Å; K594-E619 HydrophobicContact CB-CG 4.21Å; K594-E619 HydrophobicContact CG-CG 4.39Å
595	D	96.8	Very high	93.3	Very high	31 Å²	31	34.7 Å²	34.7	17%	0.166	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	9.2	173.8	73.3	7.5	0	0	0	114.4	H575 T576 D577 S593 S597	H575-D595 VanDerWaalsContact CA-OD2 3.28Å; H575-D595 WeakPolarHBondContact CA-OD2 3.35Å; H575-D595 WeakPolarHBondContact CB-OD2 3.49Å; H575-D595 IonicContact CE1-OD1 3.89Å; H575-D595 IonicContact CE1-OD2 3.85Å; H575-D595 IonicContact CG-OD2 3.47Å; H575-D595 IonicContact ND1-OD1 3.36Å; H575-D595 PolarHBondContact ND1-OD1 2.94Å; H575-D595 IonicContact ND1-OD2 2.73Å; H575-D595 PolarHBondContact ND1-OD2 3.04Å; T576-D595 PolarHBondContact N-OD2 2.85Å; T576-D595 VanDerWaalsContact N-OD2 3.16Å; T576-D595 VanDerWaalsContact OG1-CB 3.32Å; T576-D595 WeakPolarHBondContact OG1-CB 3.13Å; D577-D595 HydrophobicContact CB-CB 3.85Å; S593-D595 VanDerWaalsContact CB-OD1 3.3Å; S593-D595 WeakPolarHBondContact CB-OD1 3.16Å; S593-D595 PolarHBondContact O-N 3.28Å; S593-D595 VanDerWaalsContact OG-CG 3.28Å; S593-D595 PolarHBondContact OG-N 2.69Å; S593-D595 PolarHBondContact OG-OD1 3.37Å; D595-S597 VanDerWaalsContact CG-OG 3.26Å; D595-S597 PolarHBondContact O-N 2.83Å; D595-S597 WeakPolarHBondContact OD1-CA 3.25Å; D595-S597 VanDerWaalsContact OD1-CB 3.31Å; D595-S597 WeakPolarHBondContact OD1-CB 3.29Å; D595-S597 PolarHBondContact OD1-N 2.96Å; D595-S597 PolarHBondContact OD1-OG 3.31Å; D595-S597 PolarHBondContact OD2-OG 2.94Å
596	K	97.2	Very high	93.1	Very high	107 Å²	107	40.8 Å²	40.8	47%	0.465	21%	0.207	S	C	.	.	S	Bend	trans	66.2	23.8	-179.6	-42.2	-180	-178.2	178.9	0	112.9	K594 H616 G618	K594-K596 PolarHBondContact O-N 2.96Å; K596-H616 WeakPolarHBondContact O-CA 3.46Å; K596-H616 WeakPolarHBondContact O-CB 3.49Å; K596-H616 PolarHBondContact O-N 2.89Å; K596-G618 VanDerWaalsContact CA-O 3.29Å; K596-G618 WeakPolarHBondContact CA-O 3.36Å; K596-G618 VanDerWaalsContact CB-O 3.3Å; K596-G618 WeakPolarHBondContact CB-O 3.46Å
597	S	96.3	Very high	93.1	Very high	9 Å²	9	41.5 Å²	41.5	6%	0.063	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	156.3	177.2	80.1	0	0	0	0	112.9	H575 S593 D595 L614	H575-S597 PolarHBondContact CE1-OG 2.8Å; H575-S597 PolarHBondContact ND1-OG 2.75Å; S593-S597 PolarHBondContact N-O 2.92Å; S593-S597 VanDerWaalsContact N-O 3.11Å; D595-S597 VanDerWaalsContact CG-OG 3.26Å; D595-S597 PolarHBondContact O-N 2.83Å; D595-S597 WeakPolarHBondContact OD1-CA 3.25Å; D595-S597 VanDerWaalsContact OD1-CB 3.31Å; D595-S597 WeakPolarHBondContact OD1-CB 3.29Å; D595-S597 PolarHBondContact OD1-N 2.96Å; D595-S597 PolarHBondContact OD1-OG 3.31Å; D595-S597 PolarHBondContact OD2-OG 2.94Å; S597-L614 CarbonylContact C-O 3.57Å; S597-L614 VanDerWaalsContact CA-O 3.29Å; S597-L614 WeakPolarHBondContact CA-O 3.35Å
598	V	97.5	Very high	93.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.7	164.7	171.7	0	0	0	0	107.6	V590 T591 T613 L614 V620 V623 I630 T632	V590-V598 HydrophobicContact CG1-CG1 3.37Å; T591-V598 CarbonylContact O-C 3.6Å; T591-V598 WeakPolarHBondContact O-CA 3.17Å; T591-V598 WeakPolarHBondContact O-CG1 3.48Å; V598-T613 CarbonylContact O-C 3.58Å; V598-T613 WeakPolarHBondContact O-CA 3.4Å; V598-L614 HydrophobicContact CB-CB 4.17Å; V598-L614 HydrophobicContact CB-CD1 4.29Å; V598-L614 HydrophobicContact CG1-CD1 4.09Å; V598-L614 PolarHBondContact N-O 3.46Å; V598-L614 PolarHBondContact O-N 3.44Å; V598-V620 HydrophobicContact CG2-CB 4.11Å; V598-V620 HydrophobicContact CG2-CG1 3.66Å; V598-V620 HydrophobicContact CG2-CG2 4Å; V598-V623 HydrophobicContact CG1-CG2 4.31Å; V598-I630 HydrophobicContact CG1-CG2 4.34Å; V598-T632 HydrophobicContact CB-CG2 4.34Å; V598-T632 HydrophobicContact CG1-CG2 4.34Å; V598-T632 HydrophobicContact CG2-CG2 3.47Å; V598-T632 VanDerWaalsContact CG2-CG2 3.47Å
599	K	97.3	Very high	93	Very high	25 Å²	25	41.4 Å²	41.4	11%	0.109	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	148.1	179	-68.6	178.5	-173.6	-79.5	0	111.3	G574 H575 V590 T591 W601 G612 T613	G574-K599 WeakPolarHBondContact O-CE 3.49Å; H575-K599 WeakPolarHBondContact NE2-CB 3.17Å; V590-K599 WeakPolarHBondContact CA-O 3.31Å; T591-K599 PolarHBondContact N-O 2.97Å; T591-K599 PolarHBondContact O-N 3.25Å; K599-W601 HydrophobicContact CB-CZ2 3.65Å; K599-W601 HydrophobicContact CD-CH2 4.02Å; K599-W601 HydrophobicContact CD-CZ2 3.52Å; K599-W601 HydrophobicContact CG-CZ2 4.2Å; K599-G612 WeakPolarHBondContact CA-O 2.7Å; K599-T613 HydrophobicContact CG-CG2 4.29Å; K599-T613 PolarHBondContact NZ-OG1 2.88Å; K599-T613 VanDerWaalsContact NZ-OG1 3.08Å
600	I	96.4	Very high	92.9	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.5	-179.7	-51.2	169.4	0	0	0	107.4	L589 I611 G612 L614 I630 L644 Q647	L589-I600 CarbonylContact O-C 3.46Å; L589-I600 WeakPolarHBondContact O-CA 3.26Å; I600-I611 HydrophobicContact CB-CB 4.43Å; I600-I611 HydrophobicContact CG2-CB 4.38Å; I600-I611 HydrophobicContact CG2-CD1 4.5Å; I600-I611 WeakPolarHBondContact O-CB 3.33Å; I600-I611 PolarHBondContact O-N 2.91Å; I600-G612 PolarHBondContact N-O 2.92Å; I600-L614 HydrophobicContact CD1-CD1 4.41Å; I600-L614 HydrophobicContact CD1-CD2 4.36Å; I600-L614 HydrophobicContact CD1-CG 4.39Å; I600-I630 HydrophobicContact CD1-CD1 3.73Å; I600-I630 HydrophobicContact CG1-CD1 3.9Å; I600-L644 HydrophobicContact CD1-CD1 4.18Å; I600-L644 HydrophobicContact CG2-CD1 3.93Å; I600-Q647 HydrophobicContact CD1-CG 4.09Å
601	W	96	Very high	92.6	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	153.6	-173.9	-47.8	92.4	0	0	0	110.5	I556 L572 T573 H588 L589 T591 K599 C610 I611	I556-W601 HydrophobicContact CD1-CZ2 4.07Å; L572-W601 HydrophobicContact CB-CD2 4.19Å; L572-W601 HydrophobicContact CB-CE3 3.95Å; L572-W601 HydrophobicContact CB-CH2 4.43Å; L572-W601 HydrophobicContact CB-CZ3 4.07Å; L572-W601 HydrophobicContact CD1-CB 3.81Å; L572-W601 HydrophobicContact CD1-CD2 4.06Å; L572-W601 HydrophobicContact CD1-CE3 4.31Å; L572-W601 HydrophobicContact CD1-CG 3.85Å; L572-W601 HydrophobicContact CD2-CE3 4.2Å; L572-W601 HydrophobicContact CG-CE3 4.38Å; T573-W601 WeakPolarHBondContact O-CH2 3.29Å; H588-W601 WeakPolarHBondContact CA-O 3.18Å; L589-W601 HydrophobicContact CB-CB 4.22Å; L589-W601 PolarHBondContact N-O 3.11Å; L589-W601 PolarHBondContact O-N 2.82Å; T591-W601 PolarHBondContact OG1-NE1 2.65Å; K599-W601 HydrophobicContact CB-CZ2 3.65Å; K599-W601 HydrophobicContact CD-CH2 4.02Å; K599-W601 HydrophobicContact CD-CZ2 3.52Å; K599-W601 HydrophobicContact CG-CZ2 4.2Å; W601-C610 HydrophobicContact CE3-CB 4.08Å; W601-C610 HydrophobicContact CH2-CB 3.91Å; W601-C610 HydrophobicContact CZ3-CB 3.64Å; W601-I611 VanDerWaalsContact C-CD1 3.5Å
602	S	90.8	Very high	92.2	Very high	25 Å²	25	47.4 Å²	47.4	18%	0.175	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.6	168.2	-178	0	0	0	0	109.6	K570 I604	K570-S602 PolarHBondContact NZ-O 2.85Å; S602-I604 PolarHBondContact OG-N 3.38Å; S602-I604 PolarHBondContact OG-O 2.89Å
603	I	89.3	Confident	92.1	Very high	14 Å²	14	50.1 Å²	50.1	7%	0.072	27%	0.269	C	S	.	.			trans	-81.6	-25.7	172.9	-152.2	163.9	0	0	0	111.9	I546 T548 V558 F584 N586 Y587	I546-I603 HydrophobicContact CG2-CD1 3.63Å; I546-I603 HydrophobicContact CG2-CG1 4.16Å; T548-I603 HydrophobicContact CG2-CD1 3.93Å; V558-I603 HydrophobicContact CG1-CD1 4.49Å; V558-I603 HydrophobicContact CG1-CG1 4.03Å; F584-I603 HydrophobicContact CB-CD1 4.11Å; F584-I603 HydrophobicContact CD2-CD1 3.25Å; F584-I603 HydrophobicContact CE2-CD1 3.7Å; F584-I603 HydrophobicContact CG-CD1 3.82Å; N586-I603 VanDerWaalsContact O-CG2 3.25Å; N586-I603 WeakPolarHBondContact O-CG2 3.22Å; Y587-I603 PolarHBondContact O-N 2.93Å
604	I	86.2	Confident	91.9	Very high	83 Å²	83	50.2 Å²	50.2	43%	0.426	27%	0.27	S	S	.	.	S	Bend	trans	-92.6	155.6	-178.3	-52.5	-176.4	0	0	0	111.3	K570 N586 Y587 S602	K570-I604 PolarHBondContact NZ-O 3.43Å; N586-I604 VanDerWaalsContact O-CD1 3.31Å; N586-I604 WeakPolarHBondContact O-CD1 3.44Å; N586-I604 WeakPolarHBondContact O-CG1 3.32Å; Y587-I604 HydrophobicContact CD1-CD1 3.35Å; Y587-I604 HydrophobicContact CD1-CG1 4.49Å; Y587-I604 HydrophobicContact CE1-CD1 3.76Å; Y587-I604 HydrophobicContact CG-CD1 4.25Å; S602-I604 PolarHBondContact OG-N 3.38Å; S602-I604 PolarHBondContact OG-O 2.89Å
605	G	83.2	Confident	91.7	Very high	55 Å²	55	52 Å²	52	57%	0.567	29%	0.286	S	S	*	.	S	Bend	trans	75.7	-164	173.8	0	0	0	0	0	112.7	K570	K570-G605 WeakPolarHBondContact CE-O 3.25Å; K570-G605 PolarHBondContact NZ-O 2.82Å
606	E	83.4	Confident	91.5	Very high	169 Å²	169	51 Å²	51	79%	0.79	28%	0.281	S	S	*	.	S	Bend	trans	-96.2	-7.3	177.5	-66.9	176.8	176.5	0	0	112.6	S608	E606-S608 PolarHBondContact O-N 2.79Å; E606-S608 VanDerWaalsContact O-N 3.1Å
607	F	84.1	Confident	91.3	Very high	95 Å²	95	50.4 Å²	50.4	42%	0.417	29%	0.286	S	S	.	.			trans	-62	114.2	-179.9	-170.8	-100	0	0	0	110.9	K570 E609 I611	K570-F607 PolarHBondContact NZ-O 3.09Å; F607-E609 HydrophobicContact CE1-CB 4.06Å; F607-E609 WeakPolarHBondContact CE1-O 3.42Å; F607-E609 HydrophobicContact CE2-CB 3.97Å; F607-E609 HydrophobicContact CE2-CG 4.4Å; F607-E609 HydrophobicContact CZ-CB 3.62Å; F607-I611 HydrophobicContact CD1-CG1 4.44Å; F607-I611 HydrophobicContact CE1-CG1 3.82Å
608	S	88.5	Confident	91.1	Very high	58 Å²	58	50.4 Å²	50.4	41%	0.406	29%	0.287	S	S	.	.			trans	-112.3	-7.8	-176.7	56.4	0	0	0	0	113.3	L572 E606	L572-S608 WeakPolarHBondContact CD2-O 3.22Å; E606-S608 PolarHBondContact O-N 2.79Å; E606-S608 VanDerWaalsContact O-N 3.1Å
609	E	88.4	Confident	91.1	Very high	129 Å²	129	53.8 Å²	53.8	60%	0.603	30%	0.303	S	S	*	.	S	Bend	trans	-73.7	159.2	178.7	-58.9	-173.3	160.6	0	0	112	F607 I611	F607-E609 HydrophobicContact CE1-CB 4.06Å; F607-E609 WeakPolarHBondContact CE1-O 3.42Å; F607-E609 HydrophobicContact CE2-CB 3.97Å; F607-E609 HydrophobicContact CE2-CG 4.4Å; F607-E609 HydrophobicContact CZ-CB 3.62Å; E609-I611 PolarHBondContact O-N 3.31Å
610	C	91.4	Very high	91.1	Very high	45 Å²	45	52.6 Å²	52.6	30%	0.304	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	120.3	177.6	-178	0	0	0	0	110.3	W601 G612 T613	W601-C610 HydrophobicContact CE3-CB 4.08Å; W601-C610 HydrophobicContact CH2-CB 3.91Å; W601-C610 HydrophobicContact CZ3-CB 3.64Å; C610-G612 PolarHBondContact SG-O 2.86Å; C610-T613 PolarHBondContact SG-OG1 2.82Å
611	I	90.8	Very high	91	Very high	74 Å²	74	54.6 Å²	54.6	38%	0.379	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-37.4	176.7	-59	174.1	0	0	0	110.7	I600 W601 F607 E609 Q647	I600-I611 HydrophobicContact CB-CB 4.43Å; I600-I611 HydrophobicContact CG2-CB 4.38Å; I600-I611 HydrophobicContact CG2-CD1 4.5Å; I600-I611 WeakPolarHBondContact O-CB 3.33Å; I600-I611 PolarHBondContact O-N 2.91Å; W601-I611 VanDerWaalsContact C-CD1 3.5Å; F607-I611 HydrophobicContact CD1-CG1 4.44Å; F607-I611 HydrophobicContact CE1-CG1 3.82Å; E609-I611 PolarHBondContact O-N 3.31Å; I611-Q647 PolarHBondContact O-NE2 2.99Å
612	G	90.7	Very high	90.9	Very high	6 Å²	6	55 Å²	55	6%	0.062	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	144.8	-171.2	0	0	0	0	0	112.8	K599 I600 C610	K599-G612 WeakPolarHBondContact CA-O 2.7Å; I600-G612 PolarHBondContact N-O 2.92Å; C610-G612 PolarHBondContact SG-O 2.86Å
613	T	95.2	Very high	91.2	Very high	57 Å²	57	53.8 Å²	53.8	35%	0.35	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	117.3	175.9	-60.6	0	0	0	0	109.4	V598 K599 C610 V615	V598-T613 CarbonylContact O-C 3.58Å; V598-T613 WeakPolarHBondContact O-CA 3.4Å; K599-T613 HydrophobicContact CG-CG2 4.29Å; K599-T613 PolarHBondContact NZ-OG1 2.88Å; K599-T613 VanDerWaalsContact NZ-OG1 3.08Å; C610-T613 PolarHBondContact SG-OG1 2.82Å; T613-V615 HydrophobicContact CG2-CG2 4.36Å
614	L	93.5	Very high	91.4	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.3	176.1	-45	175.1	0	0	0	108.2	S597 V598 I600 I630 W642 Q647	S597-L614 CarbonylContact C-O 3.57Å; S597-L614 VanDerWaalsContact CA-O 3.29Å; S597-L614 WeakPolarHBondContact CA-O 3.35Å; V598-L614 HydrophobicContact CB-CB 4.17Å; V598-L614 HydrophobicContact CB-CD1 4.29Å; V598-L614 HydrophobicContact CG1-CD1 4.09Å; V598-L614 PolarHBondContact N-O 3.46Å; V598-L614 PolarHBondContact O-N 3.44Å; I600-L614 HydrophobicContact CD1-CD1 4.41Å; I600-L614 HydrophobicContact CD1-CD2 4.36Å; I600-L614 HydrophobicContact CD1-CG 4.39Å; L614-I630 HydrophobicContact CD1-CB 4.47Å; L614-I630 HydrophobicContact CD1-CD1 3.8Å; L614-I630 HydrophobicContact CD1-CG2 4.23Å; L614-W642 HydrophobicContact CB-CD2 4.17Å; L614-W642 HydrophobicContact CB-CE3 4.14Å; L614-W642 HydrophobicContact CB-CH2 4.19Å; L614-W642 HydrophobicContact CB-CZ2 4.2Å; L614-W642 HydrophobicContact CB-CZ3 4.14Å; L614-W642 HydrophobicContact CD1-CB 3.96Å; L614-W642 HydrophobicContact CD1-CD2 3.88Å; L614-W642 HydrophobicContact CD1-CE3 4.29Å; L614-W642 HydrophobicContact CD1-CG 3.71Å; L614-W642 HydrophobicContact CD2-CD2 4.28Å; L614-W642 HydrophobicContact CD2-CE3 3.82Å; L614-W642 HydrophobicContact CD2-CZ3 4.26Å; L614-W642 HydrophobicContact CG-CD2 4.34Å; L614-W642 HydrophobicContact CG-CE3 4.3Å; L614-Q647 HydrophobicContact CD2-CB 3.72Å; L614-Q647 HydrophobicContact CD2-CG 4.29Å
615	V	93.8	Very high	91.6	Very high	104 Å²	104	51.4 Å²	51.4	63%	0.63	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.2	-173.3	-177.9	0	0	0	0	110.7	T613	T613-V615 HydrophobicContact CG2-CG2 4.36Å
616	H	92.5	Very high	91.7	Very high	11 Å²	11	51.2 Å²	51.2	5%	0.051	28%	0.276	C	S	.	.			trans	-115.3	164.2	176.6	-78.9	-108.7	0	0	0	111.7	K596 V620 T632 R640 W642	K596-H616 WeakPolarHBondContact O-CA 3.46Å; K596-H616 WeakPolarHBondContact O-CB 3.49Å; K596-H616 PolarHBondContact O-N 2.89Å; H616-V620 HydrophobicContact CB-CG2 3.72Å; H616-V620 VanDerWaalsContact CG-CG2 3.47Å; H616-T632 PolarHBondContact CE1-OG1 3.39Å; H616-T632 PolarHBondContact NE2-OG1 3.12Å; H616-R640 PolarHBondContact ND1-NH1 3.13Å; H616-W642 AromaticContact CD2-CZ2 3.92Å; H616-W642 AromaticContact CE1-NE1 3.99Å; H616-W642 AromaticContact NE2-CE2 3.74Å; H616-W642 AromaticContact NE2-CZ2 3.49Å; H616-W642 WeakPolarHBondContact NE2-CZ2 3.43Å; H616-W642 AromaticContact NE2-NE1 3.48Å; H616-W642 PolarHBondContact NE2-NE1 2.95Å
617	T	91.2	Very high	91.5	Very high	93 Å²	93	49.6 Å²	49.6	57%	0.571	27%	0.273	S	S	*	.	S	Bend	trans	-79.1	-25.5	177.3	43.6	0	0	0	0	112.8	D636 R640	T617-D636 PolarHBondContact OG1-OD2 3.29Å; T617-R640 PolarHBondContact OG1-NH2 3.4Å
618	G	93.7	Very high	91.3	Very high	9 Å²	9	49.3 Å²	49.3	9%	0.093	28%	0.275	C	S	.	.	S	Bend	trans	-140.4	-176.2	179.8	0	0	0	0	0	112.2	K596 V620 C634	K596-G618 VanDerWaalsContact CA-O 3.29Å; K596-G618 WeakPolarHBondContact CA-O 3.36Å; K596-G618 VanDerWaalsContact CB-O 3.3Å; K596-G618 WeakPolarHBondContact CB-O 3.46Å; G618-V620 PolarHBondContact O-N 3.3Å; G618-C634 PolarHBondContact O-SG 3.28Å; G618-C634 VanDerWaalsContact O-SG 3.35Å
619	E	96.7	Very high	91.1	Very high	72 Å²	72	52.4 Å²	52.4	34%	0.336	28%	0.278	S	S	.	.			trans	-56	135.1	177.7	-59.2	-176.7	-172.8	0	0	110.1	K594 L621 C634 S635	K594-E619 HydrophobicContact CB-CG 4.21Å; K594-E619 HydrophobicContact CG-CG 4.39Å; E619-L621 HydrophobicContact CB-CD2 4.19Å; E619-C634 CarbonylContact O-C 3.59Å; E619-C634 WeakPolarHBondContact O-CA 3.49Å; E619-C634 PolarHBondContact O-SG 2.79Å; E619-S635 PolarHBondContact N-OG 2.82Å; E619-S635 PolarHBondContact O-N 2.94Å; E619-S635 PolarHBondContact O-OG 2.82Å
620	V	97.2	Very high	91.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.3	174.2	-170.4	0	0	0	0	107.4	T580 S593 V598 H616 G618 T632 G633	T580-V620 WeakPolarHBondContact CB-O 3.35Å; T580-V620 VanDerWaalsContact CG2-O 3.3Å; T580-V620 WeakPolarHBondContact CG2-O 3.25Å; T580-V620 PolarHBondContact OG1-O 3.2Å; S593-V620 PolarHBondContact O-N 2.83Å; S593-V620 VanDerWaalsContact O-N 3.09Å; V598-V620 HydrophobicContact CG2-CB 4.11Å; V598-V620 HydrophobicContact CG2-CG1 3.66Å; V598-V620 HydrophobicContact CG2-CG2 4Å; H616-V620 HydrophobicContact CB-CG2 3.72Å; H616-V620 VanDerWaalsContact CG-CG2 3.47Å; G618-V620 PolarHBondContact O-N 3.3Å; V620-T632 HydrophobicContact CG1-CG2 4.2Å; V620-G633 WeakPolarHBondContact CG1-O 3.46Å
621	L	94.7	Very high	91.4	Very high	44 Å²	44	45.1 Å²	45.1	23%	0.23	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-26	-169.8	-61.2	179.2	0	0	0	112.8	E619 G633 P661 I662	E619-L621 HydrophobicContact CB-CD2 4.19Å; L621-G633 PolarHBondContact N-O 3.24Å; L621-P661 HydrophobicContact CD1-CB 3.94Å; L621-I662 VanDerWaalsContact CB-O 3.3Å; L621-I662 WeakPolarHBondContact CB-O 3.17Å; L621-I662 WeakPolarHBondContact CD1-O 3.28Å
622	C	94.1	Very high	91.7	Very high	9 Å²	9	41.6 Å²	41.6	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	150.1	178.3	59.1	0	0	0	0	111.6	T632 G633 I665	C622-T632 WeakPolarHBondContact O-CA 2.89Å; C622-G633 PolarHBondContact N-O 3.35Å; C622-G633 PolarHBondContact O-N 3.33Å; C622-I665 HydrophobicContact CB-CG1 4.4Å
623	V	96.3	Very high	91.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.1	176.5	64.7	0	0	0	0	110.7	A581 R583 V590 V598 I630 I631 T632	A581-V623 HydrophobicContact CB-CG1 4.04Å; R583-V623 VanDerWaalsContact CG-O 3.31Å; R583-V623 WeakPolarHBondContact CG-O 3.29Å; V590-V623 HydrophobicContact CG1-CG2 3.68Å; V598-V623 HydrophobicContact CG1-CG2 4.31Å; V623-I630 HydrophobicContact CG2-CG2 3.68Å; V623-I631 CarbonylContact C-O 3.48Å; V623-I631 WeakPolarHBondContact CA-O 3.41Å; V623-T632 HydrophobicContact CB-CG2 4.14Å; V623-T632 HydrophobicContact CG2-CG2 3.67Å
624	E	94.4	Very high	91.8	Very high	23 Å²	23	38.6 Å²	38.6	11%	0.107	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.1	173.6	-70.6	-64.9	148.3	0	0	110.1	R583 I630 I631 I665 P667	R583-E624 IonicContact CZ-OE1 3.78Å; R583-E624 IonicContact CZ-OE2 3.63Å; R583-E624 VanDerWaalsContact NE-CD 3.29Å; R583-E624 IonicContact NE-OE1 2.85Å; R583-E624 PolarHBondContact NE-OE1 3.24Å; R583-E624 IonicContact NE-OE2 2.92Å; R583-E624 PolarHBondContact NE-OE2 3.38Å; R583-E624 VanDerWaalsContact NE-OE2 3.11Å; R583-E624 IonicContact NH2-OE1 3.44Å; R583-E624 PolarHBondContact NH2-OE1 2.96Å; R583-E624 IonicContact NH2-OE2 3.52Å; E624-I630 WeakPolarHBondContact O-CA 3.39Å; E624-I631 HydrophobicContact CB-CB 4.48Å; E624-I631 PolarHBondContact N-O 3.24Å; E624-I631 PolarHBondContact O-N 3.4Å; E624-I665 HydrophobicContact CB-CD1 4.18Å; E624-I665 HydrophobicContact CB-CG1 4.42Å; E624-I665 HydrophobicContact CG-CD1 4.03Å; E624-I665 HydrophobicContact CG-CG1 3.73Å; E624-P667 HydrophobicContact CB-CG 3.78Å; E624-P667 HydrophobicContact CG-CG 4.01Å
625	L	90.9	Very high	91.9	Very high	24 Å²	24	40.4 Å²	40.4	13%	0.126	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	114.6	175.7	178.4	64.1	0	0	0	108	R583 D585 V590 I630 L644	R583-L625 HydrophobicContact CB-CB 3.9Å; D585-L625 HydrophobicContact CB-CD2 4.09Å; V590-L625 HydrophobicContact CG2-CD1 4.16Å; V590-L625 HydrophobicContact CG2-CD2 4.15Å; L625-I630 HydrophobicContact CD1-CG1 3.97Å; L625-L644 HydrophobicContact CD1-CD1 4.28Å; L625-L644 HydrophobicContact CD1-CD2 4.28Å
626	I	84.1	Confident	91.7	Very high	51 Å²	51	37.3 Å²	37.3	26%	0.262	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122	171.4	-62.4	166.6	0	0	0	108.1	L628 R629 P667	I626-L628 PolarHBondContact O-N 2.74Å; I626-R629 PolarHBondContact N-O 2.96Å; I626-R629 WeakPolarHBondContact O-CA 3.31Å; I626-R629 WeakPolarHBondContact O-CB 3.39Å; I626-R629 PolarHBondContact O-N 3.5Å; I626-R629 VanDerWaalsContact O-O 3.13Å; I626-P667 HydrophobicContact CD1-CB 3.2Å; I626-P667 HydrophobicContact CD1-CG 3.08Å; I626-P667 HydrophobicContact CG1-CG 4Å
627	D	78.8	Confident	91.6	Very high	135 Å²	135	36.8 Å²	36.8	72%	0.722	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	-122.3	-177.7	-50.5	-36	0	0	0	110.3
628	L	80.3	Confident	91.5	Very high	89 Å²	89	36.3 Å²	36.3	47%	0.466	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	20.2	177.9	-59.6	176.3	0	0	0	113	I626 L644 L645	I626-L628 PolarHBondContact O-N 2.74Å; L628-L644 HydrophobicContact CD2-CD2 4.07Å; L628-L644 VanDerWaalsContact O-CB 3.3Å; L628-L644 WeakPolarHBondContact O-CB 3.34Å; L628-L644 PolarHBondContact O-N 2.64Å; L628-L645 HydrophobicContact CD1-CD1 3.92Å; L628-L645 HydrophobicContact CD2-CD1 4.29Å; L628-L645 HydrophobicContact CD2-CD2 4.3Å; L628-L645 HydrophobicContact CD2-CG 4.17Å
629	R	85.2	Confident	91.4	Very high	123 Å²	123	35.9 Å²	35.9	46%	0.464	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.7	-179	-64.9	179.5	-178.1	160.5	3.6	111.3	I626 V641 W642	I626-R629 PolarHBondContact N-O 2.96Å; I626-R629 WeakPolarHBondContact O-CA 3.31Å; I626-R629 WeakPolarHBondContact O-CB 3.39Å; I626-R629 PolarHBondContact O-N 3.5Å; I626-R629 VanDerWaalsContact O-O 3.13Å; R629-V641 HydrophobicContact CB-CG1 4.5Å; R629-W642 WeakPolarHBondContact CA-O 3.29Å
630	I	91.9	Very high	91.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.3	169.5	-63	166.5	0	0	0	107.3	V590 V598 I600 L614 V623 E624 L625 T632 V641 W642 L644	V590-I630 HydrophobicContact CG1-CD1 3.93Å; V590-I630 HydrophobicContact CG1-CG1 4.17Å; V590-I630 HydrophobicContact CG1-CG2 3.98Å; V590-I630 HydrophobicContact CG2-CD1 3.82Å; V590-I630 HydrophobicContact CG2-CG1 4.04Å; V598-I630 HydrophobicContact CG1-CG2 4.34Å; I600-I630 HydrophobicContact CD1-CD1 3.73Å; I600-I630 HydrophobicContact CG1-CD1 3.9Å; L614-I630 HydrophobicContact CD1-CB 4.47Å; L614-I630 HydrophobicContact CD1-CD1 3.8Å; L614-I630 HydrophobicContact CD1-CG2 4.23Å; V623-I630 HydrophobicContact CG2-CG2 3.68Å; E624-I630 WeakPolarHBondContact O-CA 3.39Å; L625-I630 HydrophobicContact CD1-CG1 3.97Å; I630-T632 HydrophobicContact CG2-CG2 3.75Å; I630-V641 CarbonylContact O-C 3.47Å; I630-V641 WeakPolarHBondContact O-CA 3.38Å; I630-W642 HydrophobicContact CB-CB 4.19Å; I630-W642 PolarHBondContact N-O 3.28Å; I630-W642 PolarHBondContact O-N 3.05Å; I630-L644 HydrophobicContact CD1-CD1 3.53Å; I630-L644 HydrophobicContact CG1-CD1 3.97Å
631	I	94	Very high	90.7	Very high	20 Å²	20	34.4 Å²	34.4	10%	0.103	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.1	174.2	-49.6	178	0	0	0	107.5	V623 E624 I639 R640 V641 I665 P667 L672	V623-I631 CarbonylContact C-O 3.48Å; V623-I631 WeakPolarHBondContact CA-O 3.41Å; E624-I631 HydrophobicContact CB-CB 4.48Å; E624-I631 PolarHBondContact N-O 3.24Å; E624-I631 PolarHBondContact O-N 3.4Å; I631-I639 HydrophobicContact CG2-CG2 3.59Å; I631-R640 CarbonylContact C-O 3.54Å; I631-R640 WeakPolarHBondContact CA-O 3.28Å; I631-V641 HydrophobicContact CG1-CG2 4.4Å; I631-V641 HydrophobicContact CG2-CG2 4.41Å; I631-I665 HydrophobicContact CB-CD1 3.92Å; I631-I665 HydrophobicContact CG2-CD1 3.57Å; I631-I665 VanDerWaalsContact O-CD1 3.31Å; I631-I665 WeakPolarHBondContact O-CD1 3.22Å; I631-P667 HydrophobicContact CD1-CB 3.99Å; I631-P667 HydrophobicContact CD1-CG 4.3Å; I631-L672 HydrophobicContact CG2-CD2 4.46Å
632	T	95.9	Very high	90.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.7	-176.9	51.3	0	0	0	0	111.3	V598 H616 V620 C622 V623 I630 I639 R640 W642	V598-T632 HydrophobicContact CB-CG2 4.34Å; V598-T632 HydrophobicContact CG1-CG2 4.34Å; V598-T632 HydrophobicContact CG2-CG2 3.47Å; V598-T632 VanDerWaalsContact CG2-CG2 3.47Å; H616-T632 PolarHBondContact CE1-OG1 3.39Å; H616-T632 PolarHBondContact NE2-OG1 3.12Å; V620-T632 HydrophobicContact CG1-CG2 4.2Å; C622-T632 WeakPolarHBondContact O-CA 2.89Å; V623-T632 HydrophobicContact CB-CG2 4.14Å; V623-T632 HydrophobicContact CG2-CG2 3.67Å; I630-T632 HydrophobicContact CG2-CG2 3.75Å; T632-I639 CarbonylContact O-C 3.59Å; T632-I639 VanDerWaalsContact O-CA 3.25Å; T632-I639 WeakPolarHBondContact O-CA 3.46Å; T632-R640 PolarHBondContact N-O 2.93Å; T632-R640 PolarHBondContact O-N 3.04Å; T632-W642 PolarHBondContact OG1-NE1 3.04Å
633	G	94.9	Very high	89.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129	172.4	0	0	0	0	0	110.3	V620 L621 C622	V620-G633 WeakPolarHBondContact CG1-O 3.46Å; L621-G633 PolarHBondContact N-O 3.24Å; C622-G633 PolarHBondContact N-O 3.35Å; C622-G633 PolarHBondContact O-N 3.33Å
634	C	94.7	Very high	89.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	157.8	-173.8	-178.9	0	0	0	0	111.6	G618 E619 D636 G637 R638 I662	G618-C634 PolarHBondContact O-SG 3.28Å; G618-C634 VanDerWaalsContact O-SG 3.35Å; E619-C634 CarbonylContact O-C 3.59Å; E619-C634 WeakPolarHBondContact O-CA 3.49Å; E619-C634 PolarHBondContact O-SG 2.79Å; C634-D636 WeakPolarHBondContact CB-OD1 3.28Å; C634-D636 PolarHBondContact O-N 2.92Å; C634-D636 PolarHBondContact SG-OD1 3.18Å; C634-D636 VanDerWaalsContact SG-OD1 3.39Å; C634-G637 PolarHBondContact O-N 2.83Å; C634-R638 PolarHBondContact N-O 3.26Å; C634-I662 PolarHBondContact O-N 3.23Å; C634-I662 VanDerWaalsContact O-N 3.15Å
635	S	94.4	Very high	88.5	Confident	40 Å²	40	39 Å²	39	28%	0.28	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.7	175	66.4	0	0	0	0	113.7	E619 G637	E619-S635 PolarHBondContact N-OG 2.82Å; E619-S635 PolarHBondContact O-N 2.94Å; E619-S635 PolarHBondContact O-OG 2.82Å; S635-G637 PolarHBondContact O-N 3.28Å
636	D	90.5	Very high	87.9	Confident	40 Å²	40	40.5 Å²	40.5	21%	0.214	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	3.2	171.4	76.5	-15.9	0	0	0	113.9	T617 C634 R638 R640	T617-D636 PolarHBondContact OG1-OD2 3.29Å; C634-D636 WeakPolarHBondContact CB-OD1 3.28Å; C634-D636 PolarHBondContact O-N 2.92Å; C634-D636 PolarHBondContact SG-OD1 3.18Å; C634-D636 VanDerWaalsContact SG-OD1 3.39Å; D636-R638 PolarHBondContact O-N 3.45Å; D636-R638 WeakPolarHBondContact OD1-CA 3.33Å; D636-R638 VanDerWaalsContact OD1-CB 3.29Å; D636-R638 WeakPolarHBondContact OD1-CB 3.49Å; D636-R638 PolarHBondContact OD1-N 3.27Å; D636-R640 IonicContact OD1-NH1 3.52Å; D636-R640 PolarHBondContact OD1-NH1 3.05Å; D636-R640 IonicContact OD2-CZ 2.9Å; D636-R640 VanDerWaalsContact OD2-CZ 3.3Å; D636-R640 IonicContact OD2-NH1 2.71Å; D636-R640 PolarHBondContact OD2-NH1 3.32Å; D636-R640 IonicContact OD2-NH2 3.09Å; D636-R640 PolarHBondContact OD2-NH2 2.8Å
637	G	89.7	Confident	88	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	70.2	16.7	-178.2	0	0	0	0	0	114.7	C634 S635 G655 D660	C634-G637 PolarHBondContact O-N 2.83Å; S635-G637 PolarHBondContact O-N 3.28Å; G637-G655 PolarHBondContact O-N 2.91Å; G637-D660 WeakPolarHBondContact CA-O 3.36Å
638	R	90.1	Very high	88.1	Confident	82 Å²	82	40.9 Å²	40.9	31%	0.309	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	142	174.8	-55.9	-63.9	-175	155.2	-0.1	111.2	C634 D636 I652 L653 H659	C634-R638 PolarHBondContact N-O 3.26Å; D636-R638 PolarHBondContact O-N 3.45Å; D636-R638 WeakPolarHBondContact OD1-CA 3.33Å; D636-R638 VanDerWaalsContact OD1-CB 3.29Å; D636-R638 WeakPolarHBondContact OD1-CB 3.49Å; D636-R638 PolarHBondContact OD1-N 3.27Å; R638-I652 HydrophobicContact CB-CG2 3.92Å; R638-I652 HydrophobicContact CG-CG2 4.12Å; R638-L653 WeakPolarHBondContact CA-O 3.27Å; R638-H659 PolarHBondContact NH2-CE1 2.57Å
639	I	90.7	Very high	88.2	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132.1	167.7	-57	166.6	0	0	0	107.2	I631 T632 I652 L653 I662 I665 L672 V674 L683	I631-I639 HydrophobicContact CG2-CG2 3.59Å; T632-I639 CarbonylContact O-C 3.59Å; T632-I639 VanDerWaalsContact O-CA 3.25Å; T632-I639 WeakPolarHBondContact O-CA 3.46Å; I639-I652 CarbonylContact O-C 3.47Å; I639-I652 WeakPolarHBondContact O-CA 3.42Å; I639-L653 HydrophobicContact CB-CB 4.27Å; I639-L653 PolarHBondContact N-O 3.17Å; I639-L653 PolarHBondContact O-N 2.93Å; I639-I662 HydrophobicContact CG1-CD1 4.26Å; I639-I662 HydrophobicContact CG1-CG1 4.08Å; I639-I662 HydrophobicContact CG1-CG2 4.3Å; I639-I665 HydrophobicContact CD1-CG2 4.46Å; I639-L672 HydrophobicContact CD1-CD2 4.03Å; I639-L672 HydrophobicContact CG2-CD2 4.12Å; I639-V674 HydrophobicContact CD1-CB 4.3Å; I639-V674 HydrophobicContact CD1-CG1 3.84Å; I639-V674 HydrophobicContact CD1-CG2 3.42Å; I639-V674 VanDerWaalsContact CD1-CG2 3.42Å; I639-L683 HydrophobicContact CD1-CD1 4.22Å
640	R	91.1	Very high	88	Confident	23 Å²	23	37.8 Å²	37.8	9%	0.087	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.8	176.8	-63.1	-174.6	176.1	68.4	-5.2	110.2	H616 T617 I631 T632 D636 W642 R651 I652	H616-R640 PolarHBondContact ND1-NH1 3.13Å; T617-R640 PolarHBondContact OG1-NH2 3.4Å; I631-R640 CarbonylContact C-O 3.54Å; I631-R640 WeakPolarHBondContact CA-O 3.28Å; T632-R640 PolarHBondContact N-O 2.93Å; T632-R640 PolarHBondContact O-N 3.04Å; D636-R640 IonicContact OD1-NH1 3.52Å; D636-R640 PolarHBondContact OD1-NH1 3.05Å; D636-R640 IonicContact OD2-CZ 2.9Å; D636-R640 VanDerWaalsContact OD2-CZ 3.3Å; D636-R640 IonicContact OD2-NH1 2.71Å; D636-R640 PolarHBondContact OD2-NH1 3.32Å; D636-R640 IonicContact OD2-NH2 3.09Å; D636-R640 PolarHBondContact OD2-NH2 2.8Å; R640-W642 HydrophobicContact CB-CZ2 4.15Å; R640-W642 VanDerWaalsContact CB-NE1 3.31Å; R640-R651 WeakPolarHBondContact CA-O 3.34Å; R640-I652 HydrophobicContact CG-CG1 4.2Å; R640-I652 HydrophobicContact CG-CG2 4.38Å
641	V	88	Confident	87.4	Confident	18 Å²	18	44 Å²	44	11%	0.109	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.1	174.1	-176.4	0	0	0	0	107.3	R629 I630 I631 Q650 R651	R629-V641 HydrophobicContact CB-CG1 4.5Å; I630-V641 CarbonylContact O-C 3.47Å; I630-V641 WeakPolarHBondContact O-CA 3.38Å; I631-V641 HydrophobicContact CG1-CG2 4.4Å; I631-V641 HydrophobicContact CG2-CG2 4.41Å; V641-Q650 PolarHBondContact O-N 3.18Å; V641-R651 HydrophobicContact CB-CB 4.22Å; V641-R651 HydrophobicContact CG2-CB 4.41Å; V641-R651 PolarHBondContact N-O 3.25Å; V641-R651 PolarHBondContact O-N 3.23Å
642	W	87.7	Confident	87	Confident	22 Å²	22	47.3 Å²	47.3	8%	0.083	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	149	-178.2	-50.4	81.7	0	0	0	109.9	L614 H616 R629 I630 T632 R640 H648 C649	L614-W642 HydrophobicContact CB-CD2 4.17Å; L614-W642 HydrophobicContact CB-CE3 4.14Å; L614-W642 HydrophobicContact CB-CH2 4.19Å; L614-W642 HydrophobicContact CB-CZ2 4.2Å; L614-W642 HydrophobicContact CB-CZ3 4.14Å; L614-W642 HydrophobicContact CD1-CB 3.96Å; L614-W642 HydrophobicContact CD1-CD2 3.88Å; L614-W642 HydrophobicContact CD1-CE3 4.29Å; L614-W642 HydrophobicContact CD1-CG 3.71Å; L614-W642 HydrophobicContact CD2-CD2 4.28Å; L614-W642 HydrophobicContact CD2-CE3 3.82Å; L614-W642 HydrophobicContact CD2-CZ3 4.26Å; L614-W642 HydrophobicContact CG-CD2 4.34Å; L614-W642 HydrophobicContact CG-CE3 4.3Å; H616-W642 AromaticContact CD2-CZ2 3.92Å; H616-W642 AromaticContact CE1-NE1 3.99Å; H616-W642 AromaticContact NE2-CE2 3.74Å; H616-W642 AromaticContact NE2-CZ2 3.49Å; H616-W642 WeakPolarHBondContact NE2-CZ2 3.43Å; H616-W642 AromaticContact NE2-NE1 3.48Å; H616-W642 PolarHBondContact NE2-NE1 2.95Å; R629-W642 WeakPolarHBondContact CA-O 3.29Å; I630-W642 HydrophobicContact CB-CB 4.19Å; I630-W642 PolarHBondContact N-O 3.28Å; I630-W642 PolarHBondContact O-N 3.05Å; T632-W642 PolarHBondContact OG1-NE1 3.04Å; R640-W642 HydrophobicContact CB-CZ2 4.15Å; R640-W642 VanDerWaalsContact CB-NE1 3.31Å; W642-H648 WeakPolarHBondContact CA-O 3.08Å; W642-C649 HydrophobicContact CD2-CB 4.09Å; W642-C649 VanDerWaalsContact CE3-CA 3.48Å; W642-C649 HydrophobicContact CE3-CB 3.61Å; W642-C649 VanDerWaalsContact CE3-N 3.33Å; W642-C649 HydrophobicContact CH2-CB 3.91Å; W642-C649 HydrophobicContact CZ2-CB 4.36Å; W642-C649 HydrophobicContact CZ3-CB 3.52Å
643	N	81.7	Confident	86.3	Confident	35 Å²	35	47.9 Å²	47.9	19%	0.187	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	124.7	166.5	-177.4	-58.8	0	0	0	109.1	L645 T646 Q647 H648 Q650	N643-L645 VanDerWaalsContact C-N 3.33Å; N643-L645 PolarHBondContact O-N 3Å; N643-L645 PolarHBondContact OD1-N 2.76Å; N643-T646 VanDerWaalsContact CB-OG1 3.25Å; N643-T646 WeakPolarHBondContact CB-OG1 3.45Å; N643-T646 VanDerWaalsContact CG-OG1 3.23Å; N643-T646 PolarHBondContact OD1-N 3.17Å; N643-T646 PolarHBondContact OD1-OG1 2.94Å; N643-Q647 WeakPolarHBondContact O-CA 3.46Å; N643-Q647 PolarHBondContact O-N 3.23Å; N643-H648 PolarHBondContact N-O 3.06Å; N643-Q650 HydrophobicContact CB-CG 4.06Å
644	L	81.3	Confident	85.6	Confident	6 Å²	6	49 Å²	49	3%	0.031	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-42.3	-177.9	178.9	68.6	0	0	0	112.3	V590 I600 L625 L628 I630	V590-L644 HydrophobicContact CG2-CD1 4.17Å; I600-L644 HydrophobicContact CD1-CD1 4.18Å; I600-L644 HydrophobicContact CG2-CD1 3.93Å; L625-L644 HydrophobicContact CD1-CD1 4.28Å; L625-L644 HydrophobicContact CD1-CD2 4.28Å; L628-L644 HydrophobicContact CD2-CD2 4.07Å; L628-L644 VanDerWaalsContact O-CB 3.3Å; L628-L644 WeakPolarHBondContact O-CB 3.34Å; L628-L644 PolarHBondContact O-N 2.64Å; I630-L644 HydrophobicContact CD1-CD1 3.53Å; I630-L644 HydrophobicContact CG1-CD1 3.97Å
645	L	82.3	Confident	84.6	Confident	110 Å²	110	49 Å²	49	58%	0.576	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-47.4	-173.5	-59.1	178.8	0	0	0	112.2	L628 N643	L628-L645 HydrophobicContact CD1-CD1 3.92Å; L628-L645 HydrophobicContact CD2-CD1 4.29Å; L628-L645 HydrophobicContact CD2-CD2 4.3Å; L628-L645 HydrophobicContact CD2-CG 4.17Å; N643-L645 VanDerWaalsContact C-N 3.33Å; N643-L645 PolarHBondContact O-N 3Å; N643-L645 PolarHBondContact OD1-N 2.76Å
646	T	79.2	Confident	83.7	Confident	57 Å²	57	47.8 Å²	47.8	35%	0.35	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-14	-177.2	62.5	0	0	0	0	113.2	N643 H648	N643-T646 VanDerWaalsContact CB-OG1 3.25Å; N643-T646 WeakPolarHBondContact CB-OG1 3.45Å; N643-T646 VanDerWaalsContact CG-OG1 3.23Å; N643-T646 PolarHBondContact OD1-N 3.17Å; N643-T646 PolarHBondContact OD1-OG1 2.94Å; T646-H648 PolarHBondContact O-N 3.36Å
647	Q	85.9	Confident	82.8	Confident	61 Å²	61	56.1 Å²	56.1	29%	0.285	26%	0.263	S	S	.	.			trans	59.2	15.5	-177.4	-54.1	179.4	23.1	0	0	113.9	I600 I611 L614 N643	I600-Q647 HydrophobicContact CD1-CG 4.09Å; I611-Q647 PolarHBondContact O-NE2 2.99Å; L614-Q647 HydrophobicContact CD2-CB 3.72Å; L614-Q647 HydrophobicContact CD2-CG 4.29Å; N643-Q647 WeakPolarHBondContact O-CA 3.46Å; N643-Q647 PolarHBondContact O-N 3.23Å
648	H	80	Confident	82	Confident	133 Å²	133	63.8 Å²	63.8	62%	0.616	29%	0.292	S	S	*	.			trans	-85.8	137.3	176.5	-67.9	-46.2	0	0	0	111.3	W642 N643 T646 Q650	W642-H648 WeakPolarHBondContact CA-O 3.08Å; N643-H648 PolarHBondContact N-O 3.06Å; T646-H648 PolarHBondContact O-N 3.36Å; H648-Q650 PolarHBondContact O-N 3.37Å
649	C	83.3	Confident	81.7	Confident	49 Å²	49	64.4 Å²	64.4	33%	0.331	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	111.4	170.3	-172	0	0	0	0	108.2	W642	W642-C649 HydrophobicContact CD2-CB 4.09Å; W642-C649 VanDerWaalsContact CE3-CA 3.48Å; W642-C649 HydrophobicContact CE3-CB 3.61Å; W642-C649 VanDerWaalsContact CE3-N 3.33Å; W642-C649 HydrophobicContact CH2-CB 3.91Å; W642-C649 HydrophobicContact CZ2-CB 4.36Å; W642-C649 HydrophobicContact CZ3-CB 3.52Å
650	Q	80.5	Confident	81.4	Confident	98 Å²	98	65.1 Å²	65.1	46%	0.458	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-37.8	-179.7	-62	-173.2	-49.4	0	0	111.5	V641 N643 H648	V641-Q650 PolarHBondContact O-N 3.18Å; N643-Q650 HydrophobicContact CB-CG 4.06Å; H648-Q650 PolarHBondContact O-N 3.37Å
651	R	79.2	Confident	81.3	Confident	129 Å²	129	65.9 Å²	65.9	49%	0.487	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	148.6	-177.2	-65.5	-169.7	174.8	-158.9	-1.6	112.4	R640 V641	R640-R651 WeakPolarHBondContact CA-O 3.34Å; V641-R651 HydrophobicContact CB-CB 4.22Å; V641-R651 HydrophobicContact CG2-CB 4.41Å; V641-R651 PolarHBondContact N-O 3.25Å; V641-R651 PolarHBondContact O-N 3.23Å
652	I	85	Confident	81.4	Confident	91 Å²	91	65 Å²	65	47%	0.467	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116.4	171	-52.8	-179.4	0	0	0	107.6	R638 I639 R640	R638-I652 HydrophobicContact CB-CG2 3.92Å; R638-I652 HydrophobicContact CG-CG2 4.12Å; I639-I652 CarbonylContact O-C 3.47Å; I639-I652 WeakPolarHBondContact O-CA 3.42Å; R640-I652 HydrophobicContact CG-CG1 4.2Å; R640-I652 HydrophobicContact CG-CG2 4.38Å
653	L	82.6	Confident	81.5	Confident	11 Å²	11	66.4 Å²	66.4	6%	0.058	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.2	179.6	-54.8	173.5	0	0	0	109.6	F301 R638 I639 G655 F685	F301-L653 HydrophobicContact CE1-CD2 4.03Å; F301-L653 HydrophobicContact CZ-CD2 4.26Å; R638-L653 WeakPolarHBondContact CA-O 3.27Å; I639-L653 HydrophobicContact CB-CB 4.27Å; I639-L653 PolarHBondContact N-O 3.17Å; I639-L653 PolarHBondContact O-N 2.93Å; L653-G655 PolarHBondContact O-N 3.25Å; L653-F685 HydrophobicContact CD1-CE1 4.19Å; L653-F685 HydrophobicContact CD1-CZ 3.98Å
654	P	80.1	Confident	81.9	Confident	24 Å²	24	66 Å²	66	16%	0.156	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	130.8	166.8	28.4	-30.6	0	0	0	109.3
655	G	74.1	Confident	82.4	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.01	31%	0.313	C	S	.	.	S	Bend	trans	-69	-48.3	169.6	0	0	0	0	0	110.7	G637 L653 L681	G637-G655 PolarHBondContact O-N 2.91Å; L653-G655 PolarHBondContact O-N 3.25Å; G655-L681 WeakPolarHBondContact O-CD1 3.4Å
656	N	73.9	Confident	82.7	Confident	14 Å²	14	62.1 Å²	62.1	8%	0.075	29%	0.292	C	S	.	.			trans	-149.1	176.1	170.8	68.5	10.8	0	0	0	111.5	R658 H659 D660 L681	N656-R658 PolarHBondContact O-N 3.02Å; N656-R658 PolarHBondContact OD1-N 3.3Å; N656-R658 VanDerWaalsContact OD1-N 3.11Å; N656-H659 PolarHBondContact OD1-N 3.48Å; N656-D660 WeakPolarHBondContact ND2-CB 3.16Å; N656-D660 VanDerWaalsContact ND2-CG 3.28Å; N656-D660 PolarHBondContact ND2-OD2 3.09Å; N656-D660 PolarHBondContact OD1-N 3.45Å; N656-L681 HydrophobicContact CB-CD1 4.08Å
657	Y	72.8	Confident	82.9	Confident	215 Å²	215	59.9 Å²	59.9	84%	0.843	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.9	177.4	-63.7	-73.8	0	0	0	114
658	R	73.5	Confident	82.5	Confident	160 Å²	160	58 Å²	58	60%	0.604	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.4	-178.9	-67.7	-176.2	171.3	102.3	1.2	113.6	E308 N656 D660	E308-R658 IonicContact OE1-NH1 3.69Å; N656-R658 PolarHBondContact O-N 3.02Å; N656-R658 PolarHBondContact OD1-N 3.3Å; N656-R658 VanDerWaalsContact OD1-N 3.11Å; R658-D660 PolarHBondContact O-N 3.14Å
659	H	81.9	Confident	82.1	Confident	95 Å²	95	61.5 Å²	61.5	44%	0.44	29%	0.287	S	S	.	.			trans	55.2	34.1	-171.3	-57.9	-61.2	0	0	0	113.1	R638 N656	R638-H659 PolarHBondContact NH2-CE1 2.57Å; N656-H659 PolarHBondContact OD1-N 3.48Å
660	D	84.5	Confident	81.7	Confident	16 Å²	16	62 Å²	62	9%	0.086	29%	0.286	C	S	.	.			trans	-63.8	143.1	177.8	-70.2	-27.4	0	0	0	110.4	G637 N656 R658 I662 Q677 H678	G637-D660 WeakPolarHBondContact CA-O 3.36Å; N656-D660 WeakPolarHBondContact ND2-CB 3.16Å; N656-D660 VanDerWaalsContact ND2-CG 3.28Å; N656-D660 PolarHBondContact ND2-OD2 3.09Å; N656-D660 PolarHBondContact OD1-N 3.45Å; R658-D660 PolarHBondContact O-N 3.14Å; D660-I662 PolarHBondContact O-N 3.23Å; D660-Q677 HydrophobicContact CB-CB 4.39Å; D660-H678 VanDerWaalsContact CG-ND1 3.32Å; D660-H678 IonicContact OD1-CE1 3.96Å; D660-H678 IonicContact OD1-ND1 3.58Å; D660-H678 PolarHBondContact OD1-ND1 2.86Å; D660-H678 IonicContact OD2-CE1 3.28Å; D660-H678 IonicContact OD2-CG 3.11Å; D660-H678 IonicContact OD2-ND1 3.44Å; D660-H678 PolarHBondContact OD2-ND1 2.9Å
661	P	90.2	Very high	81.7	Confident	38 Å²	38	59.4 Å²	59.4	25%	0.247	27%	0.272	C	S	.	.			trans	-52.3	133.1	175.8	-27.5	34.8	0	0	0	112.5	L621 I663 T676	L621-P661 HydrophobicContact CD1-CB 3.94Å; P661-I663 PolarHBondContact O-N 2.84Å; P661-T676 WeakPolarHBondContact O-CA 3.47Å
662	I	90.6	Very high	82	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	103.8	175.7	-49.4	-54.3	0	0	0	108.7	L621 C634 I639 D660 I665 V674 T676	L621-I662 VanDerWaalsContact CB-O 3.3Å; L621-I662 WeakPolarHBondContact CB-O 3.17Å; L621-I662 WeakPolarHBondContact CD1-O 3.28Å; C634-I662 PolarHBondContact O-N 3.23Å; C634-I662 VanDerWaalsContact O-N 3.15Å; I639-I662 HydrophobicContact CG1-CD1 4.26Å; I639-I662 HydrophobicContact CG1-CG1 4.08Å; I639-I662 HydrophobicContact CG1-CG2 4.3Å; D660-I662 PolarHBondContact O-N 3.23Å; I662-I665 HydrophobicContact CG2-CG2 3.51Å; I662-V674 HydrophobicContact CD1-CG1 4.05Å; I662-V674 HydrophobicContact CG2-CG1 4.05Å; I662-T676 HydrophobicContact CD1-CG2 3.96Å
663	I	89.8	Confident	82.1	Confident	51 Å²	51	49.1 Å²	49.1	26%	0.262	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-44	-173.4	-61.8	175.5	0	0	0	111.3	P661 N675 Q677	P661-I663 PolarHBondContact O-N 2.84Å; I663-N675 PolarHBondContact N-O 3.4Å; I663-Q677 HydrophobicContact CD1-CB 4.5Å
664	S	90.2	Very high	82.3	Confident	28 Å²	28	48.6 Å²	48.6	20%	0.196	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	146.6	177.9	60.9	0	0	0	0	110.3	I321 N675	I321-S664 VanDerWaalsContact CG1-OG 3.27Å; I321-S664 WeakPolarHBondContact CG1-OG 3.49Å; S664-N675 PolarHBondContact N-O 2.65Å; S664-N675 PolarHBondContact O-N 2.87Å; S664-N675 VanDerWaalsContact OG-CB 3.29Å; S664-N675 WeakPolarHBondContact OG-CB 3.46Å; S664-N675 PolarHBondContact OG-ND2 2.75Å
665	I	90.4	Very high	82.7	Confident	7 Å²	7	47.5 Å²	47.5	4%	0.036	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.7	174.5	57.8	177.9	0	0	0	108.8	C622 E624 I631 I639 I662 L672 I673	C622-I665 HydrophobicContact CB-CG1 4.4Å; E624-I665 HydrophobicContact CB-CD1 4.18Å; E624-I665 HydrophobicContact CB-CG1 4.42Å; E624-I665 HydrophobicContact CG-CD1 4.03Å; E624-I665 HydrophobicContact CG-CG1 3.73Å; I631-I665 HydrophobicContact CB-CD1 3.92Å; I631-I665 HydrophobicContact CG2-CD1 3.57Å; I631-I665 VanDerWaalsContact O-CD1 3.31Å; I631-I665 WeakPolarHBondContact O-CD1 3.22Å; I639-I665 HydrophobicContact CD1-CG2 4.46Å; I662-I665 HydrophobicContact CG2-CG2 3.51Å; I665-L672 HydrophobicContact CB-CD1 4.2Å; I665-I673 CarbonylContact C-O 3.55Å; I665-I673 WeakPolarHBondContact CA-O 3Å
666	M	88.5	Confident	83.2	Confident	26 Å²	26	47.5 Å²	47.5	13%	0.128	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	102.1	171.1	-175.9	161.8	166.7	0	0	110.2	V323 K325 L668 I673	V323-M666 HydrophobicContact CB-CE 3.69Å; V323-M666 HydrophobicContact CB-SD 3.45Å; V323-M666 WeakPolarHBondContact CB-SD 3.22Å; V323-M666 HydrophobicContact CG1-CE 4.35Å; V323-M666 HydrophobicContact CG2-SD 4.08Å; V323-M666 PolarHBondContact N-SD 2.73Å; V323-M666 VanDerWaalsContact N-SD 3.39Å; V323-M666 WeakPolarHBondContact O-CE 3.47Å; K325-M666 HydrophobicContact CG-CE 4.17Å; M666-L668 HydrophobicContact CE-CD2 3.81Å; M666-I673 HydrophobicContact CB-CB 4.37Å; M666-I673 PolarHBondContact N-O 2.9Å; M666-I673 PolarHBondContact O-N 2.78Å
667	P	83.6	Confident	83.5	Confident	11 Å²	11	51.2 Å²	51.2	7%	0.071	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.7	173.2	29.3	-34	0	0	0	110.9	E624 I626 I631 L672	E624-P667 HydrophobicContact CB-CG 3.78Å; E624-P667 HydrophobicContact CG-CG 4.01Å; I626-P667 HydrophobicContact CD1-CB 3.2Å; I626-P667 HydrophobicContact CD1-CG 3.08Å; I626-P667 HydrophobicContact CG1-CG 4Å; I631-P667 HydrophobicContact CD1-CB 3.99Å; I631-P667 HydrophobicContact CD1-CG 4.3Å; P667-L672 HydrophobicContact CB-CD1 3.87Å
668	L	78.4	Confident	83.7	Confident	22 Å²	22	43.2 Å²	43.2	12%	0.115	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	168.8	169.6	-59.5	164.1	0	0	0	106.8	V323 M666 N670 R671 I673	V323-L668 HydrophobicContact CG1-CD1 4.43Å; V323-L668 HydrophobicContact CG1-CD2 4.4Å; M666-L668 HydrophobicContact CE-CD2 3.81Å; L668-N670 VanDerWaalsContact C-N 3.35Å; L668-N670 PolarHBondContact O-N 2.97Å; L668-N670 VanDerWaalsContact O-N 3.15Å; L668-R671 CarbonylContact C-O 3.49Å; L668-R671 WeakPolarHBondContact CA-O 3.49Å; L668-R671 HydrophobicContact CB-CB 4.31Å; L668-R671 WeakPolarHBondContact CB-O 3.23Å; L668-R671 HydrophobicContact CD1-CB 4.44Å; L668-R671 PolarHBondContact N-O 2.89Å; L668-R671 PolarHBondContact O-N 3.01Å; L668-I673 HydrophobicContact CD1-CD1 4.3Å; L668-I673 HydrophobicContact CD1-CG1 3.83Å
669	E	71	Confident	84.1	Confident	206 Å²	206	36 Å²	36	96%	0.963	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.8	-55.3	-172.7	-64.5	178.6	172.2	0	0	114
670	N	75.7	Confident	84.2	Confident	59 Å²	59	31.5 Å²	31.5	32%	0.316	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	15.2	-178.6	-162.6	34.3	0	0	0	113.6	L668 F685 T687	L668-N670 VanDerWaalsContact C-N 3.35Å; L668-N670 PolarHBondContact O-N 2.97Å; L668-N670 VanDerWaalsContact O-N 3.15Å; N670-F685 PolarHBondContact ND2-O 2.81Å; N670-F685 PolarHBondContact O-N 2.86Å; N670-F685 PolarHBondContact OD1-O 3.23Å; N670-T687 HydrophobicContact CB-CG2 4.43Å
671	R	79.3	Confident	84.1	Confident	43 Å²	43	31 Å²	31	16%	0.162	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	145.9	-174.2	-56.2	-173.3	-72.8	170.1	1.1	111	I347 L668 L683 N684	I347-R671 PolarHBondContact O-NH1 2.72Å; L668-R671 CarbonylContact C-O 3.49Å; L668-R671 WeakPolarHBondContact CA-O 3.49Å; L668-R671 HydrophobicContact CB-CB 4.31Å; L668-R671 WeakPolarHBondContact CB-O 3.23Å; L668-R671 HydrophobicContact CD1-CB 4.44Å; L668-R671 PolarHBondContact N-O 2.89Å; L668-R671 PolarHBondContact O-N 3.01Å; R671-L683 CarbonylContact C-O 3.55Å; R671-L683 VanDerWaalsContact CA-O 3.28Å; R671-L683 WeakPolarHBondContact CA-O 3.13Å; R671-N684 WeakPolarHBondContact CD-OD1 3.43Å; R671-N684 HydrophobicContact CG-CB 4.37Å; R671-N684 WeakPolarHBondContact CG-OD1 3.16Å
672	L	85.5	Confident	83.8	Confident	5 Å²	5	29.3 Å²	29.3	3%	0.026	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	113.7	170.5	-179.3	63.5	0	0	0	108.8	I631 I639 I665 P667 V674 L683 F685	I631-L672 HydrophobicContact CG2-CD2 4.46Å; I639-L672 HydrophobicContact CD1-CD2 4.03Å; I639-L672 HydrophobicContact CG2-CD2 4.12Å; I665-L672 HydrophobicContact CB-CD1 4.2Å; P667-L672 HydrophobicContact CB-CD1 3.87Å; L672-V674 HydrophobicContact CD2-CG2 4.21Å; L672-V674 HydrophobicContact CG-CG2 3.9Å; L672-L683 HydrophobicContact CB-CB 4.26Å; L672-L683 HydrophobicContact CD2-CD1 4.26Å; L672-L683 PolarHBondContact N-O 2.79Å; L672-L683 PolarHBondContact O-N 2.88Å; L672-F685 HydrophobicContact CB-CE2 3.71Å; L672-F685 HydrophobicContact CB-CZ 4.34Å
673	I	87.1	Confident	83.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126	172.4	-52.2	-55.9	0	0	0	108.4	L306 I321 L330 I347 I665 M666 L668 I680 L681 A682	L306-I673 HydrophobicContact CD1-CD1 4.18Å; I321-I673 HydrophobicContact CD1-CG2 3.85Å; L330-I673 HydrophobicContact CD1-CG2 3.69Å; I347-I673 HydrophobicContact CD1-CD1 4.4Å; I347-I673 HydrophobicContact CG2-CD1 4.04Å; I665-I673 CarbonylContact C-O 3.55Å; I665-I673 WeakPolarHBondContact CA-O 3Å; M666-I673 HydrophobicContact CB-CB 4.37Å; M666-I673 PolarHBondContact N-O 2.9Å; M666-I673 PolarHBondContact O-N 2.78Å; L668-I673 HydrophobicContact CD1-CD1 4.3Å; L668-I673 HydrophobicContact CD1-CG1 3.83Å; I673-I680 HydrophobicContact CG2-CG2 4.06Å; I673-L681 CarbonylContact C-O 3.47Å; I673-L681 WeakPolarHBondContact CA-O 3.11Å; I673-A682 HydrophobicContact CD1-CB 3.64Å
674	V	87.6	Confident	82.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.7	-175.2	-176.9	0	0	0	0	108.4	I639 I662 L672 T676 I680 L681 L683	I639-V674 HydrophobicContact CD1-CB 4.3Å; I639-V674 HydrophobicContact CD1-CG1 3.84Å; I639-V674 HydrophobicContact CD1-CG2 3.42Å; I639-V674 VanDerWaalsContact CD1-CG2 3.42Å; I662-V674 HydrophobicContact CD1-CG1 4.05Å; I662-V674 HydrophobicContact CG2-CG1 4.05Å; L672-V674 HydrophobicContact CD2-CG2 4.21Å; L672-V674 HydrophobicContact CG-CG2 3.9Å; V674-T676 HydrophobicContact CG1-CG2 4.03Å; V674-I680 WeakPolarHBondContact O-CA 3.02Å; V674-L681 HydrophobicContact CB-CB 4.34Å; V674-L681 PolarHBondContact N-O 2.84Å; V674-L681 PolarHBondContact O-N 3.03Å; V674-L683 HydrophobicContact CG2-CD1 3.91Å; V674-L683 HydrophobicContact CG2-CG 4.18Å
675	N	87.1	Confident	82.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.4	172.7	-177.5	30.8	0	0	0	109	R319 I321 I663 S664	R319-N675 WeakPolarHBondContact CD-OD1 3.43Å; R319-N675 PolarHBondContact O-ND2 2.95Å; R319-N675 VanDerWaalsContact O-ND2 3.1Å; I321-N675 HydrophobicContact CD1-CB 3.58Å; I321-N675 HydrophobicContact CG1-CB 3.79Å; I321-N675 HydrophobicContact CG2-CB 4.48Å; I663-N675 PolarHBondContact N-O 3.4Å; S664-N675 PolarHBondContact N-O 2.65Å; S664-N675 PolarHBondContact O-N 2.87Å; S664-N675 VanDerWaalsContact OG-CB 3.29Å; S664-N675 WeakPolarHBondContact OG-CB 3.46Å; S664-N675 PolarHBondContact OG-ND2 2.75Å
676	T	86.4	Confident	81	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	176.4	170.4	79.6	0	0	0	0	109.8	P661 I662 V674 H678 N679	P661-T676 WeakPolarHBondContact O-CA 3.47Å; I662-T676 HydrophobicContact CD1-CG2 3.96Å; V674-T676 HydrophobicContact CG1-CG2 4.03Å; T676-H678 PolarHBondContact O-N 3.04Å; T676-N679 PolarHBondContact N-O 3.21Å; T676-N679 PolarHBondContact OG1-N 3.23Å; T676-N679 VanDerWaalsContact OG1-N 3.08Å; T676-N679 PolarHBondContact OG1-O 2.76Å
677	Q	80.3	Confident	79.6	Confident	93 Å²	93	37.7 Å²	37.7	44%	0.435	19%	0.19	S	C	.	.	S	Bend	trans	-53.7	-39.5	177.3	-176.7	173.3	-40.5	0	0	113.5	D660 I663	D660-Q677 HydrophobicContact CB-CB 4.39Å; I663-Q677 HydrophobicContact CD1-CB 4.5Å
678	H	76.9	Confident	78.2	Confident	46 Å²	46	41.8 Å²	41.8	21%	0.213	21%	0.21	C	C	.	.	S	Bend	trans	-106.5	-32.2	-175.6	-56.1	102.1	0	0	0	112.9	R309 D660 T676	R309-H678 WeakPolarHBondContact CB-O 3.28Å; R309-H678 PolarHBondContact N-O 2.94Å; D660-H678 VanDerWaalsContact CG-ND1 3.32Å; D660-H678 IonicContact OD1-CE1 3.96Å; D660-H678 IonicContact OD1-ND1 3.58Å; D660-H678 PolarHBondContact OD1-ND1 2.86Å; D660-H678 IonicContact OD2-CE1 3.28Å; D660-H678 IonicContact OD2-CG 3.11Å; D660-H678 IonicContact OD2-ND1 3.44Å; D660-H678 PolarHBondContact OD2-ND1 2.9Å; T676-H678 PolarHBondContact O-N 3.04Å
679	N	80.6	Confident	76.6	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.053	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.1	-166.2	-62.6	-10.8	0	0	0	112.8	L307 E308 T676 L681	L307-N679 CarbonylContact O-C 3.49Å; L307-N679 VanDerWaalsContact O-CA 3.27Å; L307-N679 WeakPolarHBondContact O-CA 3.32Å; E308-N679 WeakPolarHBondContact CG-OD1 3.45Å; T676-N679 PolarHBondContact N-O 3.21Å; T676-N679 PolarHBondContact OG1-N 3.23Å; T676-N679 VanDerWaalsContact OG1-N 3.08Å; T676-N679 PolarHBondContact OG1-O 2.76Å; N679-L681 HydrophobicContact CB-CD2 3.94Å; N679-L681 HydrophobicContact CB-CG 4.03Å
680	I	84.3	Confident	75	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.1	160	-51.7	176.1	0	0	0	106.6	L306 L307 I321 L330 I345 I673 V674	L306-I680 HydrophobicContact CB-CB 4.34Å; L306-I680 HydrophobicContact CB-CG2 4.26Å; L306-I680 HydrophobicContact CD1-CG2 4.05Å; L306-I680 PolarHBondContact N-O 2.81Å; L307-I680 HydrophobicContact CB-CB 4.17Å; L307-I680 HydrophobicContact CB-CD1 4.05Å; L307-I680 HydrophobicContact CB-CG1 4.17Å; L307-I680 PolarHBondContact N-O 2.8Å; L307-I680 PolarHBondContact O-N 2.89Å; I321-I680 HydrophobicContact CG2-CD1 4.01Å; L330-I680 HydrophobicContact CD1-CG2 4.01Å; L330-I680 HydrophobicContact CD2-CD1 4Å; I345-I680 HydrophobicContact CD1-CD1 4.19Å; I673-I680 HydrophobicContact CG2-CG2 4.06Å; V674-I680 WeakPolarHBondContact O-CA 3.02Å
681	L	83.4	Confident	72.8	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.026	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.5	-176	-55.9	173.2	0	0	0	109.6	I303 Y304 V305 G655 N656 I673 V674 N679	I303-L681 HydrophobicContact CG2-CD2 4.32Å; Y304-L681 CarbonylContact O-C 3.53Å; Y304-L681 WeakPolarHBondContact O-CA 3.42Å; V305-L681 HydrophobicContact CB-CD2 4.13Å; V305-L681 HydrophobicContact CG1-CD2 4.18Å; V305-L681 HydrophobicContact CG2-CD2 3.7Å; G655-L681 WeakPolarHBondContact O-CD1 3.4Å; N656-L681 HydrophobicContact CB-CD1 4.08Å; I673-L681 CarbonylContact C-O 3.47Å; I673-L681 WeakPolarHBondContact CA-O 3.11Å; V674-L681 HydrophobicContact CB-CB 4.34Å; V674-L681 PolarHBondContact N-O 2.84Å; V674-L681 PolarHBondContact O-N 3.03Å; N679-L681 HydrophobicContact CB-CD2 3.94Å; N679-L681 HydrophobicContact CB-CG 4.03Å
682	A	83.1	Confident	70.7	Confident	3 Å²	3	60.6 Å²	60.6	3%	0.025	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114.7	165	0	0	0	0	0	108.7	Y304 L306 I673	Y304-A682 PolarHBondContact N-O 3.41Å; Y304-A682 PolarHBondContact O-N 3.19Å; L306-A682 HydrophobicContact CD1-CB 4Å; L306-A682 HydrophobicContact CD2-CB 4.27Å; L306-A682 HydrophobicContact CG-CB 4.09Å; I673-A682 HydrophobicContact CD1-CB 3.64Å
683	L	82.3	Confident	68.1	Low	0 Å²	0	66 Å²	66	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	107.2	169.7	-53.2	177.7	0	0	0	107.3	F301 I303 I639 R671 L672 V674 F685	F301-L683 HydrophobicContact CD2-CB 4.43Å; F301-L683 HydrophobicContact CD2-CD2 4.11Å; F301-L683 HydrophobicContact CE2-CD2 4.05Å; I303-L683 HydrophobicContact CB-CD2 4.07Å; I303-L683 HydrophobicContact CD1-CD2 3.89Å; I303-L683 HydrophobicContact CG1-CD2 3.55Å; I303-L683 HydrophobicContact CG2-CD2 3.83Å; I639-L683 HydrophobicContact CD1-CD1 4.22Å; R671-L683 CarbonylContact C-O 3.55Å; R671-L683 VanDerWaalsContact CA-O 3.28Å; R671-L683 WeakPolarHBondContact CA-O 3.13Å; L672-L683 HydrophobicContact CB-CB 4.26Å; L672-L683 HydrophobicContact CD2-CD1 4.26Å; L672-L683 PolarHBondContact N-O 2.79Å; L672-L683 PolarHBondContact O-N 2.88Å; V674-L683 HydrophobicContact CG2-CD1 3.91Å; V674-L683 HydrophobicContact CG2-CG 4.18Å; L683-F685 HydrophobicContact CB-CE2 4.02Å; L683-F685 HydrophobicContact CB-CZ 3.99Å; L683-F685 WeakPolarHBondContact O-CE2 3.26Å
684	N	76.8	Confident	65.5	Low	13 Å²	13	70.9 Å²	70.9	7%	0.07	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.1	175.8	-61.8	-13.9	0	0	0	108.6	F301 S302 Y304 R671	F301-N684 CarbonylContact C-O 3.49Å; F301-N684 WeakPolarHBondContact CA-O 3.1Å; F301-N684 WeakPolarHBondContact CB-O 3.21Å; S302-N684 PolarHBondContact N-O 2.8Å; S302-N684 PolarHBondContact O-N 3.12Å; Y304-N684 VanDerWaalsContact CD2-ND2 3.27Å; Y304-N684 WeakPolarHBondContact CD2-ND2 3.18Å; Y304-N684 HydrophobicContact CE2-CB 4.45Å; Y304-N684 WeakPolarHBondContact CE2-ND2 3.45Å; R671-N684 WeakPolarHBondContact CD-OD1 3.43Å; R671-N684 HydrophobicContact CG-CB 4.37Å; R671-N684 WeakPolarHBondContact CG-OD1 3.16Å
685	F	75.9	Confident	63.1	Low	55 Å²	55	73.5 Å²	73.5	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	153.9	178	-60.9	-83.5	0	0	0	109.5	F301 L653 N670 L672 L683	F301-F685 HydrophobicContact CB-CD1 3.73Å; F301-F685 HydrophobicContact CB-CE1 3.93Å; F301-F685 HydrophobicContact CB-CG 4.42Å; F301-F685 HydrophobicContact CD1-CE1 4.31Å; F301-F685 HydrophobicContact CG-CD1 4.38Å; F301-F685 HydrophobicContact CG-CE1 4.12Å; L653-F685 HydrophobicContact CD1-CE1 4.19Å; L653-F685 HydrophobicContact CD1-CZ 3.98Å; N670-F685 PolarHBondContact ND2-O 2.81Å; N670-F685 PolarHBondContact O-N 2.86Å; N670-F685 PolarHBondContact OD1-O 3.23Å; L672-F685 HydrophobicContact CB-CE2 3.71Å; L672-F685 HydrophobicContact CB-CZ 4.34Å; L683-F685 HydrophobicContact CB-CE2 4.02Å; L683-F685 HydrophobicContact CB-CZ 3.99Å; L683-F685 WeakPolarHBondContact O-CE2 3.26Å
686	D	66.4	Low	60.8	Low	100 Å²	100	77.2 Å²	77.2	54%	0.535	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-78.6	141.4	167.1	-69.8	-27.6	0	0	0	109.8	I688	D686-I688 PolarHBondContact O-N 3.06Å
687	T	60.7	Low	58.3	Low	119 Å²	119	82.8 Å²	82.8	73%	0.73	40%	0.395	S	S	*	.			trans	-71.2	92.7	175.1	42.8	0	0	0	0	109.6	N670 K689	N670-T687 HydrophobicContact CB-CG2 4.43Å; T687-K689 PolarHBondContact O-N 2.94Å
688	I	53.1	Low	56.2	Low	98 Å²	98	83.3 Å²	83.3	50%	0.503	40%	0.401	S	S	.	.			trans	-84.4	115.7	176.5	-61	166.2	0	0	0	108.5	D686 W690	D686-I688 PolarHBondContact O-N 3.06Å; I688-W690 PolarHBondContact O-N 2.85Å
689	K	44.8	Very low	54.4	Low	196 Å²	196	86.2 Å²	86.2	85%	0.852	41%	0.413	S	S	*	.			trans	-72.6	118.7	164.2	-70.2	-174.2	179.5	-178.7	0	107.9	T687 E691	T687-K689 PolarHBondContact O-N 2.94Å; K689-E691 PolarHBondContact O-N 3.48Å
690	W	37.3	Very low	52.4	Low	163 Å²	163	87.9 Å²	87.9	62%	0.617	43%	0.428	S	S	*	.			trans	-74.3	107.7	176.3	-68.6	82.1	0	0	0	108.8	I688 Y692	I688-W690 PolarHBondContact O-N 2.85Å; W690-Y692 HydrophobicContact CB-CD2 4.32Å; W690-Y692 HydrophobicContact CB-CE2 3.81Å; W690-Y692 WeakPolarHBondContact O-CD2 3.15Å; W690-Y692 PolarHBondContact O-N 2.8Å
691	E	30.5	Very low	50.1	Low	160 Å²	160	93.8 Å²	93.8	75%	0.748	46%	0.455	S	S	*	.			trans	-76.6	101.9	166.5	-74.1	-179.5	-171	0	0	107.9	K689 H693	K689-E691 PolarHBondContact O-N 3.48Å; E691-H693 PolarHBondContact O-N 2.86Å
692	Y	34.8	Very low	48.2	Very low	206 Å²	206	98.6 Å²	98.6	81%	0.808	48%	0.478	S	S	*	.			trans	-75	20.5	175.4	-65.7	-85.4	0	0	0	112.7	W690 E694	W690-Y692 HydrophobicContact CB-CD2 4.32Å; W690-Y692 HydrophobicContact CB-CE2 3.81Å; W690-Y692 WeakPolarHBondContact O-CD2 3.15Å; W690-Y692 PolarHBondContact O-N 2.8Å; Y692-E694 PolarHBondContact O-N 2.89Å
693	H	30.4	Very low	46.1	Very low	118 Å²	118	105.4 Å²	105.4	55%	0.546	51%	0.507	S	S	.	.			trans	-67.4	129	-177.5	-75.1	-68	0	0	0	110.5	F9 E691	F9-H693 AromaticContact CE1-CE1 3.9Å; E691-H693 PolarHBondContact O-N 2.86Å
694	E	32.8	Very low	43.8	Very low	103 Å²	103	114 Å²	114	48%	0.481	54%	0.54	S	S	.	.			trans	69.6	71.1	173.3	-52.4	-178.5	150.4	0	0	115	Y692 V696 K699	Y692-E694 PolarHBondContact O-N 2.89Å; E694-V696 PolarHBondContact O-N 2.9Å; E694-K699 VanDerWaalsContact CD-CE 3.44Å; E694-K699 WeakPolarHBondContact OE1-CE 3.36Å; E694-K699 IonicContact OE1-NZ 3.57Å; E694-K699 PolarHBondContact OE1-NZ 3.29Å; E694-K699 WeakPolarHBondContact OE2-CE 3.41Å; E694-K699 IonicContact OE2-NZ 3.34Å; E694-K699 PolarHBondContact OE2-NZ 2.99Å
695	S	37.3	Very low	42.1	Very low	54 Å²	54	118.4 Å²	118.4	38%	0.378	56%	0.562	S	S	.	*			trans	-54.8	134.3	150.8	70.5	0	0	0	0	107	E697 D698	S695-E697 WeakPolarHBondContact CB-OE2 3.45Å; S695-E697 PolarHBondContact O-N 3.35Å; S695-E697 PolarHBondContact OG-OE2 2.92Å; S695-D698 PolarHBondContact O-N 2.89Å
696	V	39.6	Very low	40.7	Very low	78 Å²	78	121.7 Å²	121.7	47%	0.473	58%	0.576	S	S	.	*	H	α-helix	trans	-57.7	-11.6	-178.3	164.9	0	0	0	0	112.7	A289 E694 A700	A289-V696 HydrophobicContact CB-CB 4.09Å; A289-V696 HydrophobicContact CB-CG2 3.29Å; E694-V696 PolarHBondContact O-N 2.9Å; V696-A700 WeakPolarHBondContact O-CB 3.38Å; V696-A700 PolarHBondContact O-N 2.93Å
697	E	33.8	Very low	39.8	Very low	119 Å²	119	119.6 Å²	119.6	56%	0.556	57%	0.57	S	S	*	*	H	α-helix	trans	-61.8	-44.8	170.9	-68.8	137.9	-177.4	0	0	112.5	S695 K699 A700 E701	S695-E697 WeakPolarHBondContact CB-OE2 3.45Å; S695-E697 PolarHBondContact O-N 3.35Å; S695-E697 PolarHBondContact OG-OE2 2.92Å; E697-K699 PolarHBondContact O-N 2.94Å; E697-A700 PolarHBondContact O-N 3.44Å; E697-E701 WeakPolarHBondContact O-CB 3.49Å; E697-E701 WeakPolarHBondContact O-CG 3.48Å; E697-E701 PolarHBondContact O-N 3.24Å
698	D	36.3	Very low	38.5	Very low	104 Å²	104	119.8 Å²	119.8	56%	0.556	56%	0.564	S	S	*	*	H	α-helix	trans	-65.8	-41.9	-178.6	-71.9	-19.6	0	0	0	111.5	S695 E702	S695-D698 PolarHBondContact O-N 2.89Å; D698-E702 PolarHBondContact O-N 3.12Å
699	K	39.1	Very low	38.2	Very low	107 Å²	107	122.2 Å²	122.2	47%	0.465	57%	0.571	S	S	.	*	H	α-helix	trans	-70.3	-34.4	174.2	-82.5	-179	172.7	164.3	0	112.6	E694 E697 F703	E694-K699 VanDerWaalsContact CD-CE 3.44Å; E694-K699 WeakPolarHBondContact OE1-CE 3.36Å; E694-K699 IonicContact OE1-NZ 3.57Å; E694-K699 PolarHBondContact OE1-NZ 3.29Å; E694-K699 WeakPolarHBondContact OE2-CE 3.41Å; E694-K699 IonicContact OE2-NZ 3.34Å; E694-K699 PolarHBondContact OE2-NZ 2.99Å; E697-K699 PolarHBondContact O-N 2.94Å; K699-F703 WeakPolarHBondContact O-CB 3.13Å; K699-F703 PolarHBondContact O-N 3.32Å
700	A	38.1	Very low	38.3	Very low	45 Å²	45	118.5 Å²	118.5	37%	0.372	56%	0.56	S	S	.	*	H	α-helix	trans	-70	-40	176.7	0	0	0	0	0	111.5	V696 E697 W704	V696-A700 WeakPolarHBondContact O-CB 3.38Å; V696-A700 PolarHBondContact O-N 2.93Å; E697-A700 PolarHBondContact O-N 3.44Å; A700-W704 WeakPolarHBondContact O-CB 3.18Å; A700-W704 PolarHBondContact O-N 3.08Å
701	E	35.8	Very low	38.5	Very low	124 Å²	124	117.7 Å²	117.7	58%	0.579	56%	0.561	S	S	*	*	H	α-helix	trans	-68.7	-43	176.5	-78.4	-165.1	162.8	0	0	111.8	E697 F703 W704 L705	E697-E701 WeakPolarHBondContact O-CB 3.49Å; E697-E701 WeakPolarHBondContact O-CG 3.48Å; E697-E701 PolarHBondContact O-N 3.24Å; E701-F703 VanDerWaalsContact C-N 3.3Å; E701-F703 PolarHBondContact O-N 2.81Å; E701-W704 PolarHBondContact O-N 2.83Å; E701-L705 WeakPolarHBondContact O-CB 3.45Å; E701-L705 VanDerWaalsContact O-CG 3.24Å; E701-L705 WeakPolarHBondContact O-CG 3.4Å; E701-L705 PolarHBondContact O-N 2.84Å
702	E	42.4	Very low	38.9	Very low	106 Å²	106	114 Å²	114	50%	0.495	55%	0.553	S	S	.	*	H	α-helix	trans	-61.4	-40.4	177.3	-158.8	-160.7	154.7	0	0	111.6	D698 L705 K706	D698-E702 PolarHBondContact O-N 3.12Å; E702-L705 PolarHBondContact O-N 3.07Å; E702-K706 WeakPolarHBondContact O-CB 3.29Å; E702-K706 PolarHBondContact O-N 3.41Å; E702-K706 IonicContact OE1-NZ 2.76Å; E702-K706 PolarHBondContact OE1-NZ 3.28Å
703	F	39.5	Very low	39.4	Very low	145 Å²	145	110.7 Å²	110.7	64%	0.636	55%	0.549	S	S	*	.	H	α-helix	trans	-67.6	-40	176.5	-129.9	-85.4	0	0	0	112.2	K699 E701 S707	K699-F703 WeakPolarHBondContact O-CB 3.13Å; K699-F703 PolarHBondContact O-N 3.32Å; E701-F703 VanDerWaalsContact C-N 3.3Å; E701-F703 PolarHBondContact O-N 2.81Å; F703-S707 WeakPolarHBondContact O-CB 3.49Å; F703-S707 PolarHBondContact O-N 2.86Å; F703-S707 VanDerWaalsContact O-N 3.07Å
704	W	35.1	Very low	39.7	Very low	182 Å²	182	112.6 Å²	112.6	69%	0.689	56%	0.558	S	S	*	*	H	α-helix	trans	-63.1	-42.7	174.2	-101.8	89.4	0	0	0	112	A700 E701 S707 M708	A700-W704 WeakPolarHBondContact O-CB 3.18Å; A700-W704 PolarHBondContact O-N 3.08Å; E701-W704 PolarHBondContact O-N 2.83Å; W704-S707 PolarHBondContact O-N 2.84Å; W704-M708 HydrophobicContact CZ3-CE 4.49Å; W704-M708 PolarHBondContact O-N 3Å
705	L	39.7	Very low	39.7	Very low	104 Å²	104	116.2 Å²	116.2	55%	0.545	58%	0.575	S	S	.	*	H	α-helix	trans	-71.1	-39.9	-179.3	-71.9	166.1	0	0	0	112.4	E701 E702 M708 K709	E701-L705 WeakPolarHBondContact O-CB 3.45Å; E701-L705 VanDerWaalsContact O-CG 3.24Å; E701-L705 WeakPolarHBondContact O-CG 3.4Å; E701-L705 PolarHBondContact O-N 2.84Å; E702-L705 PolarHBondContact O-N 3.07Å; L705-M708 PolarHBondContact O-N 3.25Å; L705-K709 PolarHBondContact O-N 3.3Å
706	K	47.8	Very low	39.6	Very low	124 Å²	124	120.9 Å²	120.9	54%	0.539	60%	0.596	S	S	.	*	H	α-helix	trans	-63.5	-39.7	172.4	-93.6	171.2	174.8	154.7	0	112.1	E702 K709 N710	E702-K706 WeakPolarHBondContact O-CB 3.29Å; E702-K706 PolarHBondContact O-N 3.41Å; E702-K706 IonicContact OE1-NZ 2.76Å; E702-K706 PolarHBondContact OE1-NZ 3.28Å; K706-K709 PolarHBondContact O-N 3.27Å; K706-N710 PolarHBondContact O-N 2.82Å; K706-N710 VanDerWaalsContact O-N 3.1Å
707	S	46.3	Very low	39.2	Very low	57 Å²	57	123.9 Å²	123.9	40%	0.399	61%	0.608	S	S	.	*	H	α-helix	trans	-62.7	-40.5	175.1	177.2	0	0	0	0	112.1	F703 W704 K711	F703-S707 WeakPolarHBondContact O-CB 3.49Å; F703-S707 PolarHBondContact O-N 2.86Å; F703-S707 VanDerWaalsContact O-N 3.07Å; W704-S707 PolarHBondContact O-N 2.84Å; S707-K711 WeakPolarHBondContact O-CG 3.46Å; S707-K711 PolarHBondContact O-N 3.41Å
708	M	33	Very low	39.3	Very low	122 Å²	122	125.5 Å²	125.5	60%	0.601	62%	0.62	S	S	*	*	H	α-helix	trans	-67.9	-42.7	175.8	-82.9	-154.9	161.4	0	0	113	W704 L705 N710 K711 S712	W704-M708 HydrophobicContact CZ3-CE 4.49Å; W704-M708 PolarHBondContact O-N 3Å; L705-M708 PolarHBondContact O-N 3.25Å; M708-N710 VanDerWaalsContact C-N 3.34Å; M708-N710 PolarHBondContact O-N 3.1Å; M708-K711 PolarHBondContact O-N 3.16Å; M708-K711 VanDerWaalsContact O-N 3.16Å; M708-S712 PolarHBondContact O-N 2.56Å
709	K	48	Very low	39	Very low	150 Å²	150	125.5 Å²	125.5	65%	0.652	63%	0.629	S	S	*	*	H	α-helix	trans	-64.6	-35.5	178.7	-79	-175.6	176.3	179.5	0	113.3	L705 K706 K711 S712	L705-K709 PolarHBondContact O-N 3.3Å; K706-K709 PolarHBondContact O-N 3.27Å; K709-K711 VanDerWaalsContact C-N 3.31Å; K709-S712 PolarHBondContact O-OG 3.36Å
710	N	47.1	Very low	38.6	Very low	117 Å²	117	126.8 Å²	126.8	63%	0.626	64%	0.64	S	S	*	*	H	α-helix	trans	-73.9	-25.3	176.4	-73.6	-6.9	0	0	0	112.4	K706 M708	K706-N710 PolarHBondContact O-N 2.82Å; K706-N710 VanDerWaalsContact O-N 3.1Å; M708-N710 VanDerWaalsContact C-N 3.34Å; M708-N710 PolarHBondContact O-N 3.1Å
711	K	41	Very low	38.3	Very low	146 Å²	146	133.2 Å²	133.2	64%	0.635	66%	0.662	S	S	*	*	H	α-helix	trans	-79.4	-31.2	174.5	-76.5	-176.4	178.8	-174.5	0	113.5	S707 M708 K709 N713 Q714	S707-K711 WeakPolarHBondContact O-CG 3.46Å; S707-K711 PolarHBondContact O-N 3.41Å; M708-K711 PolarHBondContact O-N 3.16Å; M708-K711 VanDerWaalsContact O-N 3.16Å; K709-K711 VanDerWaalsContact C-N 3.31Å; K711-N713 PolarHBondContact O-N 3.45Å; K711-Q714 PolarHBondContact O-N 3.44Å
712	S	39.3	Very low	38.3	Very low	83 Å²	83	132.3 Å²	132.3	58%	0.58	67%	0.669	S	S	*	*	H	α-helix	trans	-68.3	-22.9	175.7	58.3	0	0	0	0	113.1	M708 K709	M708-S712 PolarHBondContact O-N 2.56Å; K709-S712 PolarHBondContact O-OG 3.36Å
713	N	44.7	Very low	38.1	Very low	137 Å²	137	136.3 Å²	136.3	73%	0.733	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-6.7	177.6	-73	4.2	0	0	0	113.9	K711 Q715	K711-N713 PolarHBondContact O-N 3.45Å; N713-Q715 PolarHBondContact O-N 2.92Å
714	Q	36.3	Very low	38.2	Very low	157 Å²	157	133.3 Å²	133.3	73%	0.734	68%	0.68	S	S	*	*			trans	-101.1	82.3	173.1	-72.5	-175.2	-14.7	0	0	109.1	K711 N716	K711-Q714 PolarHBondContact O-N 3.44Å; Q714-N716 PolarHBondContact O-N 3.44Å
715	Q	34.2	Very low	38.5	Very low	179 Å²	179	127.5 Å²	127.5	84%	0.836	67%	0.667	S	S	*	*			trans	-62.4	82.7	163.1	-70.3	179.2	-7.1	0	0	108.8	N713	N713-Q715 PolarHBondContact O-N 2.92Å
716	N	34.5	Very low	38.7	Very low	153 Å²	153	130.7 Å²	130.7	82%	0.818	67%	0.673	S	S	*	*			trans	-146.7	89	156.9	-97.8	-23.7	0	0	0	107.4	Q714 N718	Q714-N716 PolarHBondContact O-N 3.44Å; N716-N718 PolarHBondContact O-N 3.5Å
717	I	31.9	Very low	38.4	Very low	140 Å²	140	128.1 Å²	128.1	72%	0.718	68%	0.675	S	S	*	*			trans	-62.9	115.1	171.9	-57.7	167	0	0	0	105.9
718	N	34.2	Very low	38.2	Very low	153 Å²	153	130.4 Å²	130.4	82%	0.818	68%	0.679	S	S	*	*	S	Bend	trans	156.9	16.6	151.3	-75	-17.5	0	0	0	116	N716	N716-N718 PolarHBondContact O-N 3.5Å
719	S	31	Very low	39	Very low	105 Å²	105	126.4 Å²	126.4	73%	0.734	66%	0.663	S	S	*	*			trans	-141.5	63.2	162.9	72.3	0	0	0	0	112.4
720	L	30.4	Very low	38.7	Very low	134 Å²	134	126.9 Å²	126.9	70%	0.702	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	128.1	170.3	-79.3	96.4	0	0	0	109.9
721	H	31.7	Very low	38.5	Very low	179 Å²	179	127.8 Å²	127.8	83%	0.829	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.5	30.9	167	-52.5	-69.4	0	0	0	120.6	K723	H721-K723 PolarHBondContact O-N 2.85Å
722	S	36.5	Very low	38.8	Very low	105 Å²	105	124.4 Å²	124.4	73%	0.734	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-81.6	118.7	158.3	59.7	0	0	0	0	110.8
723	K	37.6	Very low	38.9	Very low	190 Å²	190	128.2 Å²	128.2	83%	0.826	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-59.4	144.4	169.8	-70.7	171.9	-179.6	169.6	0	108.8	H721 S725	H721-K723 PolarHBondContact O-N 2.85Å; K723-S725 PolarHBondContact O-N 3.19Å
724	P	41.2	Very low	38.9	Very low	83 Å²	83	124.4 Å²	124.4	54%	0.539	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-55.9	142.1	-179.7	22.9	-32.8	0	0	0	110.5	E728	P724-E728 WeakPolarHBondContact CA-OE2 3.25Å; P724-E728 HydrophobicContact CB-CB 4.39Å
725	S	42.9	Very low	39.2	Very low	59 Å²	59	120 Å²	120	41%	0.413	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-63	154.4	-178.4	77.1	0	0	0	0	110	K723 A727 E728 S729	K723-S725 PolarHBondContact O-N 3.19Å; S725-A727 PolarHBondContact O-N 2.73Å; S725-A727 VanDerWaalsContact O-N 3.12Å; S725-E728 PolarHBondContact N-OE2 3.44Å; S725-E728 PolarHBondContact O-N 3.07Å; S725-E728 VanDerWaalsContact O-N 3.12Å; S725-E728 PolarHBondContact OG-N 3.22Å; S725-S729 PolarHBondContact O-N 3.38Å; S725-S729 PolarHBondContact O-OG 2.84Å
726	Y	43.3	Very low	39.6	Very low	172 Å²	172	117.7 Å²	117.7	68%	0.675	61%	0.609	S	S	*	*	H	α-helix	trans	-55.2	-32	176.5	178.8	-96.4	0	0	0	112.1	S729 R730	Y726-S729 PolarHBondContact O-N 2.96Å; Y726-R730 HydrophobicContact CD1-CG 4.48Å; Y726-R730 HydrophobicContact CE1-CG 3.97Å; Y726-R730 PolarHBondContact O-N 2.95Å
727	A	42	Very low	39.7	Very low	69 Å²	69	116.4 Å²	116.4	57%	0.57	60%	0.599	S	S	*	*	H	α-helix	trans	-67.2	-45.5	177.2	0	0	0	0	0	112.3	S725 S729 R730 Y731	S725-A727 PolarHBondContact O-N 2.73Å; S725-A727 VanDerWaalsContact O-N 3.12Å; A727-S729 VanDerWaalsContact C-N 3.32Å; A727-S729 PolarHBondContact O-N 3.46Å; A727-R730 WeakPolarHBondContact O-CB 3.45Å; A727-R730 PolarHBondContact O-N 3.46Å; A727-R730 VanDerWaalsContact O-N 3.17Å; A727-Y731 PolarHBondContact O-N 3.07Å
728	E	41.8	Very low	40	Very low	105 Å²	105	117.3 Å²	117.3	49%	0.491	61%	0.606	S	S	.	*	H	α-helix	trans	-61.8	-42.2	174.6	-73.2	173.3	140.9	0	0	111.3	P724 S725 R730 Y731 I732	P724-E728 WeakPolarHBondContact CA-OE2 3.25Å; P724-E728 HydrophobicContact CB-CB 4.39Å; S725-E728 PolarHBondContact N-OE2 3.44Å; S725-E728 PolarHBondContact O-N 3.07Å; S725-E728 VanDerWaalsContact O-N 3.12Å; S725-E728 PolarHBondContact OG-N 3.22Å; E728-R730 PolarHBondContact O-N 3.29Å; E728-Y731 PolarHBondContact O-N 3.27Å; E728-I732 WeakPolarHBondContact O-CD1 3.25Å; E728-I732 VanDerWaalsContact O-CG1 3.25Å; E728-I732 WeakPolarHBondContact O-CG1 3.46Å; E728-I732 PolarHBondContact O-N 3.26Å
729	S	49.5	Very low	39.9	Very low	38 Å²	38	113.6 Å²	113.6	27%	0.266	59%	0.592	S	S	.	*	H	α-helix	trans	-61.1	-34.7	176.6	-62.3	0	0	0	0	112.4	S725 Y726 A727 R733	S725-S729 PolarHBondContact O-N 3.38Å; S725-S729 PolarHBondContact O-OG 2.84Å; Y726-S729 PolarHBondContact O-N 2.96Å; A727-S729 VanDerWaalsContact C-N 3.32Å; A727-S729 PolarHBondContact O-N 3.46Å; S729-R733 VanDerWaalsContact O-CG 3.28Å; S729-R733 WeakPolarHBondContact O-CG 3.35Å; S729-R733 PolarHBondContact O-N 3.36Å
730	R	42.8	Very low	39.8	Very low	160 Å²	160	113.7 Å²	113.7	60%	0.604	60%	0.599	S	S	*	*	H	α-helix	trans	-72.5	-42.8	175.1	-91.2	-103.1	-113.3	123	0.3	112.1	Y726 A727 E728 R733 S734	Y726-R730 HydrophobicContact CD1-CG 4.48Å; Y726-R730 HydrophobicContact CE1-CG 3.97Å; Y726-R730 PolarHBondContact O-N 2.95Å; A727-R730 WeakPolarHBondContact O-CB 3.45Å; A727-R730 PolarHBondContact O-N 3.46Å; A727-R730 VanDerWaalsContact O-N 3.17Å; E728-R730 PolarHBondContact O-N 3.29Å; R730-R733 PolarHBondContact O-N 3.13Å; R730-S734 PolarHBondContact O-N 3.25Å
731	Y	41.6	Very low	39.7	Very low	137 Å²	137	110.2 Å²	110.2	54%	0.537	58%	0.581	S	S	.	*	H	α-helix	trans	-61.9	-44.5	177	177.1	-103.7	0	0	0	111.7	A727 E728 R733 S734 C735	A727-Y731 PolarHBondContact O-N 3.07Å; E728-Y731 PolarHBondContact O-N 3.27Å; Y731-R733 VanDerWaalsContact C-N 3.28Å; Y731-R733 PolarHBondContact O-N 3.19Å; Y731-S734 PolarHBondContact O-N 3.37Å; Y731-S734 PolarHBondContact O-OG 3.24Å; Y731-S734 VanDerWaalsContact O-OG 3.06Å; Y731-C735 VanDerWaalsContact CZ-SG 3.52Å; Y731-C735 PolarHBondContact O-N 3.06Å; Y731-C735 PolarHBondContact O-SG 2.94Å
732	I	46.7	Very low	39.8	Very low	74 Å²	74	107.5 Å²	107.5	38%	0.379	58%	0.579	S	S	.	*	H	α-helix	trans	-59.8	-41.6	175.5	-67.2	164.7	0	0	0	110.4	E728 L736	E728-I732 WeakPolarHBondContact O-CD1 3.25Å; E728-I732 VanDerWaalsContact O-CG1 3.25Å; E728-I732 WeakPolarHBondContact O-CG1 3.46Å; E728-I732 PolarHBondContact O-N 3.26Å; I732-L736 HydrophobicContact CG2-CD1 4.02Å; I732-L736 WeakPolarHBondContact O-CD1 3.3Å; I732-L736 WeakPolarHBondContact O-CG 3.35Å; I732-L736 PolarHBondContact O-N 3.17Å; I732-L736 VanDerWaalsContact O-N 3.14Å
733	R	43.2	Very low	39.5	Very low	164 Å²	164	112 Å²	112	62%	0.619	58%	0.58	S	S	*	*	H	α-helix	trans	-66.3	-38.8	176.2	-75.6	176.9	-169.6	174.9	5.1	113	S729 R730 Y731 L736 M737	S729-R733 VanDerWaalsContact O-CG 3.28Å; S729-R733 WeakPolarHBondContact O-CG 3.35Å; S729-R733 PolarHBondContact O-N 3.36Å; R730-R733 PolarHBondContact O-N 3.13Å; Y731-R733 VanDerWaalsContact C-N 3.28Å; Y731-R733 PolarHBondContact O-N 3.19Å; R733-L736 PolarHBondContact O-N 3.45Å; R733-M737 WeakPolarHBondContact O-CB 3.11Å; R733-M737 WeakPolarHBondContact O-CG 3.16Å; R733-M737 PolarHBondContact O-N 3.22Å
734	S	42.8	Very low	39.2	Very low	56 Å²	56	110.9 Å²	110.9	39%	0.392	58%	0.576	S	S	.	*	H	α-helix	trans	-70.8	-37.1	179.5	72.5	0	0	0	0	111.9	R730 Y731 L736 M737	R730-S734 PolarHBondContact O-N 3.25Å; Y731-S734 PolarHBondContact O-N 3.37Å; Y731-S734 PolarHBondContact O-OG 3.24Å; Y731-S734 VanDerWaalsContact O-OG 3.06Å; S734-L736 VanDerWaalsContact C-N 3.32Å; S734-L736 PolarHBondContact O-N 3.49Å; S734-M737 PolarHBondContact O-N 3.01Å
735	C	44.3	Very low	38.5	Very low	65 Å²	65	115.3 Å²	115.3	44%	0.439	59%	0.587	S	S	.	*	H	α-helix	trans	-63.6	-38.5	174.8	-63.7	0	0	0	0	111.8	Y731 M737	Y731-C735 VanDerWaalsContact CZ-SG 3.52Å; Y731-C735 PolarHBondContact O-N 3.06Å; Y731-C735 PolarHBondContact O-SG 2.94Å; C735-M737 VanDerWaalsContact C-N 3.31Å; C735-M737 PolarHBondContact O-N 3.49Å
736	L	41.3	Very low	37.8	Very low	130 Å²	130	122.2 Å²	122.2	68%	0.681	61%	0.609	S	S	*	*	H	α-helix	trans	-70.2	-25.6	177.9	-75.5	166.3	0	0	0	113.7	I732 R733 S734	I732-L736 HydrophobicContact CG2-CD1 4.02Å; I732-L736 WeakPolarHBondContact O-CD1 3.3Å; I732-L736 WeakPolarHBondContact O-CG 3.35Å; I732-L736 PolarHBondContact O-N 3.17Å; I732-L736 VanDerWaalsContact O-N 3.14Å; R733-L736 PolarHBondContact O-N 3.45Å; S734-L736 VanDerWaalsContact C-N 3.32Å; S734-L736 PolarHBondContact O-N 3.49Å
737	M	37.4	Very low	37	Very low	126 Å²	126	125.2 Å²	125.2	62%	0.621	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-2.9	-171.8	-72.7	-66	-163.6	0	0	114.2	R733 S734 C735 S739	R733-M737 WeakPolarHBondContact O-CB 3.11Å; R733-M737 WeakPolarHBondContact O-CG 3.16Å; R733-M737 PolarHBondContact O-N 3.22Å; S734-M737 PolarHBondContact O-N 3.01Å; C735-M737 VanDerWaalsContact C-N 3.31Å; C735-M737 PolarHBondContact O-N 3.49Å; M737-S739 PolarHBondContact O-N 3.05Å
738	N	37.4	Very low	36.2	Very low	160 Å²	160	127 Å²	127	86%	0.856	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	40.1	34.1	-171.7	-90.2	-8.8	0	0	0	112.6
739	S	31.7	Very low	35.5	Very low	74 Å²	74	129.1 Å²	129.1	52%	0.517	64%	0.642	S	S	.	*			trans	-81.1	124.7	-178.1	59.8	0	0	0	0	108.1	M737 D741	M737-S739 PolarHBondContact O-N 3.05Å; S739-D741 PolarHBondContact O-N 3.48Å
740	A	29.6	Very low	34.3	Very low	107 Å²	107	134.6 Å²	134.6	88%	0.884	67%	0.666	S	S	*	*	S	Bend	trans	-48.5	104	-178.9	0	0	0	0	0	112.9
741	D	29	Very low	33.6	Very low	61 Å²	61	135.2 Å²	135.2	33%	0.326	68%	0.679	S	S	.	*				164.4	93.9	113.7	-164.3	-16.7	0	0	0	108.5	S739 R743	S739-D741 PolarHBondContact O-N 3.48Å; D741-R743 PolarHBondContact O-N 3.12Å; D741-R743 VanDerWaalsContact O-N 3.09Å; D741-R743 WeakPolarHBondContact OD1-CB 3.34Å; D741-R743 VanDerWaalsContact OD1-CG 3.29Å; D741-R743 WeakPolarHBondContact OD1-CG 3.41Å; D741-R743 IonicContact OD1-CZ 3.95Å; D741-R743 PolarHBondContact OD1-N 3.12Å; D741-R743 IonicContact OD1-NE 3.92Å; D741-R743 PolarHBondContact OD1-NE 3.29Å; D741-R743 IonicContact OD1-NH2 3.68Å; D741-R743 IonicContact OD2-CZ 3.97Å; D741-R743 IonicContact OD2-NE 3.62Å; D741-R743 PolarHBondContact OD2-NE 3.22Å; D741-R743 IonicContact OD2-NH2 2.61Å; D741-R743 PolarHBondContact OD2-NH2 2.92Å
742	P	32.8	Very low	32.9	Very low	123 Å²	123	132 Å²	132	80%	0.799	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	8.4	178.4	30.4	-32.2	0	0	0	113.3	F744	P742-F744 PolarHBondContact O-N 3.32Å
743	R	31.2	Very low	31.9	Very low	200 Å²	200	133.7 Å²	133.7	76%	0.755	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-9.9	176.7	-69.9	178.7	-73.8	-175.7	-1	114.3	D741	D741-R743 PolarHBondContact O-N 3.12Å; D741-R743 VanDerWaalsContact O-N 3.09Å; D741-R743 WeakPolarHBondContact OD1-CB 3.34Å; D741-R743 VanDerWaalsContact OD1-CG 3.29Å; D741-R743 WeakPolarHBondContact OD1-CG 3.41Å; D741-R743 IonicContact OD1-CZ 3.95Å; D741-R743 PolarHBondContact OD1-N 3.12Å; D741-R743 IonicContact OD1-NE 3.92Å; D741-R743 PolarHBondContact OD1-NE 3.29Å; D741-R743 IonicContact OD1-NH2 3.68Å; D741-R743 IonicContact OD2-CZ 3.97Å; D741-R743 IonicContact OD2-NE 3.62Å; D741-R743 PolarHBondContact OD2-NE 3.22Å; D741-R743 IonicContact OD2-NH2 2.61Å; D741-R743 PolarHBondContact OD2-NH2 2.92Å
744	F	29.8	Very low	31	Very low	166 Å²	166	137.7 Å²	137.7	73%	0.728	72%	0.716	S	S	*	*	S	Bend	trans	-84	120.1	164.6	-71.5	-82.9	0	0	0	108.8	P742	P742-F744 PolarHBondContact O-N 3.32Å
745	F	28.3	Very low	30.2	Very low	176 Å²	176	143.1 Å²	143.1	77%	0.772	74%	0.735	S	S	*	*			trans	91.2	56	-178.4	-53.9	-78.5	0	0	0	116.6	R747	F745-R747 PolarHBondContact O-N 3.31Å; F745-R747 VanDerWaalsContact O-N 3.17Å
746	K	26.5	Very low	29.3	Very low	203 Å²	203	152 Å²	152	88%	0.883	76%	0.759	S	S	*	*			trans	-60.8	114.2	144	-89.5	-174.6	176	-178.8	0	107.7	S748	K746-S748 PolarHBondContact O-N 3.04Å
747	R	26.9	Very low	28.7	Very low	235 Å²	235	150.7 Å²	150.7	89%	0.887	76%	0.761	S	S	*	*			trans	-46.3	109.7	174.7	-77.7	177.5	169.7	176.4	-3.8	110.2	F745 N749	F745-R747 PolarHBondContact O-N 3.31Å; F745-R747 VanDerWaalsContact O-N 3.17Å; R747-N749 PolarHBondContact O-N 3.1Å
748	S	26.1	Very low	28.4	Very low	108 Å²	108	149 Å²	149	76%	0.755	77%	0.767	S	S	*	*			trans	-77.2	70.5	169.3	58.5	0	0	0	0	109.7	K746	K746-S748 PolarHBondContact O-N 3.04Å
749	N	27.4	Very low	27.9	Very low	148 Å²	148	147.6 Å²	147.6	79%	0.791	77%	0.769	S	S	*	*			trans	-91.7	32.6	157.8	-86	13.4	0	0	0	110.6	R747 I751	R747-N749 PolarHBondContact O-N 3.1Å; N749-I751 PolarHBondContact O-N 2.71Å
750	M	24.2	Very low	27.8	Very low	153 Å²	153	154 Å²	154	75%	0.754	78%	0.781	S	S	*	*			trans	-92.9	89.5	167.3	-75.5	-86.4	-61.6	0	0	107.2	G752	M750-G752 PolarHBondContact O-N 3.39Å
751	I	26.8	Very low	27.8	Very low	173 Å²	173	153.1 Å²	153.1	89%	0.887	77%	0.768	S	S	*	*			trans	-52.3	119.1	164.3	-68.9	161.7	0	0	0	107.1	N749	N749-I751 PolarHBondContact O-N 2.71Å
752	G	28	Very low	27.9	Very low	69 Å²	69	157.7 Å²	157.7	71%	0.711	79%	0.792	S	S	*	*	S	Bend	trans	84.5	59.3	161	0	0	0	0	0	118.1	M750	M750-G752 PolarHBondContact O-N 3.39Å
753	V	25	Very low	27.9	Very low	111 Å²	111	156.1 Å²	156.1	67%	0.673	78%	0.784	S	S	*	*			trans	-144.4	114.5	145.8	-173.3	0	0	0	0	110	H755	V753-H755 PolarHBondContact O-N 3.21Å
754	R	23.6	Very low	28.1	Very low	248 Å²	248	152.8 Å²	152.8	94%	0.936	78%	0.777	S	S	*	*			trans	-70.8	104.8	170.5	-74	175.5	173.1	166.5	-1.8	108.9
755	H	25.8	Very low	28.2	Very low	169 Å²	169	152.3 Å²	152.3	78%	0.782	78%	0.777	S	S	*	*			trans	-127.6	111.1	156.4	-101.5	-79.8	0	0	0	110.8	V753 S757	V753-H755 PolarHBondContact O-N 3.21Å; H755-S757 PolarHBondContact O-N 2.68Å
756	R	25.7	Very low	28.4	Very low	252 Å²	252	148.9 Å²	148.9	95%	0.951	78%	0.775	S	S	*	*			trans	-64.4	109.5	167.9	-69.8	175.3	177.9	173.1	-0.9	108.1
757	S	30.3	Very low	28.7	Very low	103 Å²	103	148.4 Å²	148.4	72%	0.72	77%	0.773	S	S	*	*			trans	-137.5	105.2	155.2	59.2	0	0	0	0	108.3	H755 C759	H755-S757 PolarHBondContact O-N 2.68Å; S757-C759 PolarHBondContact O-N 3.43Å
758	A	29.3	Very low	28.8	Very low	89 Å²	89	141.4 Å²	141.4	74%	0.736	76%	0.76	S	S	*	*			trans	-67.2	106.6	-174.6	0	0	0	0	0	111.4	R760	A758-R760 VanDerWaalsContact C-N 3.34Å; A758-R760 PolarHBondContact O-N 3.33Å
759	C	28.1	Very low	29	Very low	132 Å²	132	141.9 Å²	141.9	89%	0.892	76%	0.763	S	S	*	*			trans	-74	89.9	162	-65.8	0	0	0	0	108.7	S757 S761	S757-C759 PolarHBondContact O-N 3.43Å; C759-S761 PolarHBondContact O-N 2.85Å
760	R	29.3	Very low	29.1	Very low	208 Å²	208	138.4 Å²	138.4	79%	0.785	76%	0.762	S	S	*	*			trans	-69.3	124.6	170.1	-71.9	-175	176.9	173.7	-0.7	109.2	A758	A758-R760 VanDerWaalsContact C-N 3.34Å; A758-R760 PolarHBondContact O-N 3.33Å
761	S	30.6	Very low	29.4	Very low	88 Å²	88	138.2 Å²	138.2	62%	0.615	76%	0.763	S	S	*	*			trans	-66.6	139.2	-179.6	57.9	0	0	0	0	111.7	C759 S763	C759-S761 PolarHBondContact O-N 2.85Å; S761-S763 PolarHBondContact O-N 2.8Å; S761-S763 PolarHBondContact OG-OG 2.77Å
762	L	30.8	Very low	29.5	Very low	157 Å²	157	135.4 Å²	135.4	82%	0.822	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	15.2	179.6	-84.8	149.2	0	0	0	117.2
763	S	31.8	Very low	29.6	Very low	90 Å²	90	143.2 Å²	143.2	63%	0.629	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-4.9	171.4	54.6	0	0	0	0	114.2	S761	S761-S763 PolarHBondContact O-N 2.8Å; S761-S763 PolarHBondContact OG-OG 2.77Å
764	E	35.8	Very low	29.8	Very low	131 Å²	131	145.5 Å²	145.5	61%	0.612	77%	0.773	S	S	*	*	S	Bend	trans	-96.1	-15.2	176.8	-97.8	176.5	169.3	0	0	114.9	S766 K767	E764-S766 PolarHBondContact O-N 3.38Å; E764-S766 VanDerWaalsContact O-N 3.13Å; E764-K767 PolarHBondContact O-N 3.41Å
765	H	32.6	Very low	30	Very low	155 Å²	155	138.8 Å²	138.8	72%	0.718	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-6.1	178.2	-89.8	-50.1	0	0	0	114.9
766	S	31.2	Very low	30	Very low	105 Å²	105	136 Å²	136	73%	0.734	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	8.8	173.6	56.2	0	0	0	0	114.4	E764	E764-S766 PolarHBondContact O-N 3.38Å; E764-S766 VanDerWaalsContact O-N 3.13Å
767	K	32.7	Very low	30	Very low	193 Å²	193	128.6 Å²	128.6	84%	0.839	76%	0.756	S	S	*	*	S	Bend	trans	-129.7	6.8	176.3	-73.6	-167.1	175.5	-173.5	0	116.8	E764	E764-K767 PolarHBondContact O-N 3.41Å
768	S	30.4	Very low	29.8	Very low	88 Å²	88	128.7 Å²	128.7	62%	0.615	76%	0.757	S	S	*	*			trans	-117.4	74.3	-178.8	69.9	0	0	0	0	113
769	S	29.2	Very low	29.7	Very low	118 Å²	118	129.7 Å²	129.7	83%	0.825	76%	0.759	S	S	*	*			trans	-135.2	53	155.6	57.1	0	0	0	0	108.6
770	G	30.5	Very low	29.7	Very low	75 Å²	75	131.7 Å²	131.7	77%	0.773	76%	0.759	S	S	*	*			trans	-81.3	107.1	163	0	0	0	0	0	107.9	S772	G770-S772 PolarHBondContact O-N 2.82Å
771	I	30.1	Very low	29.5	Very low	148 Å²	148	129.9 Å²	129.9	76%	0.759	76%	0.76	S	S	*	*			trans	-47.9	123.8	174.6	-70	157.4	0	0	0	109.8	R773	I771-R773 PolarHBondContact O-N 3.49Å
772	S	29.4	Very low	29.1	Very low	114 Å²	114	130.3 Å²	130.3	80%	0.797	76%	0.763	S	S	*	*			trans	-58.3	94.6	170.5	51.1	0	0	0	0	109.9	G770	G770-S772 PolarHBondContact O-N 2.82Å
773	R	28.5	Very low	28.9	Very low	233 Å²	233	130.5 Å²	130.5	88%	0.879	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-85.8	125.2	165	-83.4	-173.5	-176.6	166.9	1.5	109.2	I771	I771-R773 PolarHBondContact O-N 3.49Å
774	I	29.6	Very low	28.5	Very low	159 Å²	159	130.8 Å²	130.8	82%	0.815	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-51.6	137.7	178.4	-68.3	155.8	0	0	0	110.8
775	S	27.4	Very low	28.1	Very low	107 Å²	107	131.2 Å²	131.2	75%	0.748	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-58.4	127.4	172.3	48.4	0	0	0	0	113.2
776	S	27.8	Very low	27.7	Very low	110 Å²	110	135 Å²	135	77%	0.769	78%	0.781	S	S	*	*			trans	-172.6	109.8	144.8	52.7	0	0	0	0	111.9
777	A	23.8	Very low	27.3	Very low	97 Å²	97	135.2 Å²	135.2	80%	0.802	78%	0.782	S	S	*	*			trans	63.5	149.1	136.6	0	0	0	0	0	123.2
778	S	27.7	Very low	26.8	Very low	105 Å²	105	133 Å²	133	73%	0.734	78%	0.78	S	S	*	*			trans	76.1	85.5	162.8	63.3	0	0	0	0	120.1
779	S	25.9	Very low	26.6	Very low	111 Å²	111	137.9 Å²	137.9	78%	0.776	79%	0.792	S	S	*	*				25	107.6	120.5	58.4	0	0	0	0	119.1
780	I	28.8	Very low	26.3	Very low	173 Å²	173	137.2 Å²	137.2	89%	0.887	79%	0.788	S	S	*	*			trans	-136.5	128.9	139.1	-62.4	-176.1	0	0	0	108.4
781	Q	24.4	Very low	26	Very low	171 Å²	171	142 Å²	142	80%	0.799	80%	0.795	S	S	*	*			trans	-73.9	156.2	-169.9	-66.5	162	-54.8	0	0	114
782	S	23.1	Very low	25.6	Very low	97 Å²	97	145.6 Å²	145.6	68%	0.678	80%	0.799	S	S	*	*			trans	51.6	114	139	62.9	0	0	0	0	119.8
783	N	26.7	Very low	25.4	Very low	160 Å²	160	147.4 Å²	147.4	86%	0.856	80%	0.8	S	S	*	*				-161.8	126.9	98.9	-97.1	-20.8	0	0	0	113
784	S	23.1	Very low	25.2	Very low	97 Å²	97	143.3 Å²	143.3	68%	0.678	80%	0.795	S	S	*	*			trans	-74.8	145	172.7	48.3	0	0	0	0	112.4
785	N	27.3	Very low	25	Very low	140 Å²	140	145.3 Å²	145.3	75%	0.749	80%	0.798	S	S	*	*			trans	177.5	106.5	130.2	-85.9	-22.4	0	0	0	107.9
786	R	23.7	Very low	24.8	Very low	234 Å²	234	150.2 Å²	150.2	88%	0.883	81%	0.806	S	S	*	*				53.3	129.5	100.6	-75.9	-176.2	176.6	179.3	0.4	112.3
787	S	23.2	Very low	24.6	Very low	109 Å²	109	153.9 Å²	153.9	76%	0.762	81%	0.808	S	S	*	*			cis	-170.7	150.5	13.6	39.1	0	0	0	0	109.7
788	N	22.7	Very low	24.5	Very low	148 Å²	148	154.1 Å²	154.1	79%	0.791	80%	0.804	S	S	*	*			trans	-24.5	133.9	165.4	-59.8	-37.5	0	0	0	117.3
789	H	26.1	Very low	24.3	Very low	189 Å²	189	157.5 Å²	157.5	88%	0.875	81%	0.805	S	S	*	*				-155.6	111.1	119.4	-104.6	-68.5	0	0	0	111.1
790	S	22.4	Very low	24	Very low	104 Å²	104	160.5 Å²	160.5	73%	0.727	81%	0.807	S	S	*	*			trans	-67.3	132.9	165	52.9	0	0	0	0	110.8
791	L	25.1	Very low	23.7	Very low	176 Å²	176	160.5 Å²	160.5	92%	0.921	80%	0.801	S	S	*	*			trans	-149	122	146	-100.3	155.8	0	0	0	109
792	R	21.5	Very low	23.5	Very low	224 Å²	224	161 Å²	161	85%	0.845	80%	0.803	S	S	*	*			trans	-102.1	110.2	-161.5	-177.8	-173.2	-167.8	179.4	4.4	107.4
793	N	24.1	Very low	23.5	Very low	152 Å²	152	165 Å²	165	81%	0.813	81%	0.809	S	S	*	*			trans	-127.5	93.5	170.1	-93	-18	0	0	0	112.1	K795	N793-K795 PolarHBondContact O-N 3.37Å
794	N	24.7	Very low	23.3	Very low	146 Å²	146	165.8 Å²	165.8	78%	0.781	81%	0.812	S	S	*	*			trans	20.1	76.7	142.8	-64.9	-24.8	0	0	0	118.3	K796	N794-K796 PolarHBondContact O-N 2.74Å
795	K	25.5	Very low	23.4	Very low	201 Å²	201	168.3 Å²	168.3	87%	0.874	82%	0.816	S	S	*	*			trans	-76	112.9	155.5	-78.4	-175.1	177	178.7	0	109.3	N793 K797	N793-K795 PolarHBondContact O-N 3.37Å; K795-K797 PolarHBondContact O-N 3.07Å
796	K	23.9	Very low	23.2	Very low	211 Å²	211	166.2 Å²	166.2	92%	0.917	81%	0.813	S	S	*	*			trans	-52	104.9	169.6	-75.6	175.5	177.1	172.8	0	109.1	N794 S798	N794-K796 PolarHBondContact O-N 2.74Å; K796-S798 PolarHBondContact O-N 3.47Å
797	K	23.3	Very low	23.4	Very low	186 Å²	186	160.5 Å²	160.5	81%	0.809	81%	0.806	S	S	*	*			trans	-68	107.5	166.9	-77.6	-175.6	174.2	-175.1	0	108.1	K795 F799	K795-K797 PolarHBondContact O-N 3.07Å; K797-F799 PolarHBondContact O-N 3.12Å
798	S	21.4	Very low	23.6	Very low	103 Å²	103	160.9 Å²	160.9	72%	0.72	81%	0.806	S	S	*	*			trans	-60.5	114.2	161	43.1	0	0	0	0	108.1	K796 E800	K796-S798 PolarHBondContact O-N 3.47Å; S798-E800 PolarHBondContact O-N 3.24Å; S798-E800 VanDerWaalsContact O-N 3.15Å
799	F	22.8	Very low	23.9	Very low	176 Å²	176	160 Å²	160	77%	0.772	80%	0.8	S	S	*	*			trans	-74.4	97.9	170.2	-78.8	-89.5	0	0	0	108.1	K797 F801	K797-F799 PolarHBondContact O-N 3.12Å; F799-F801 HydrophobicContact CB-CD2 4.44Å; F799-F801 HydrophobicContact CB-CE2 4.2Å; F799-F801 PolarHBondContact O-N 2.83Å
800	E	20.7	Very low	24	Very low	174 Å²	174	157.2 Å²	157.2	81%	0.813	80%	0.798	S	S	*	*			trans	-75.4	107.9	161.1	-71.3	-175.4	159.3	0	0	107.5	S798 E802	S798-E800 PolarHBondContact O-N 3.24Å; S798-E800 VanDerWaalsContact O-N 3.15Å; E800-E802 PolarHBondContact O-N 2.91Å
801	F	21.8	Very low	24.3	Very low	172 Å²	172	156 Å²	156	75%	0.754	80%	0.803	S	S	*	*			trans	-76.9	96.8	166.8	-79.7	-88.6	0	0	0	107.7	F799 F803	F799-F801 HydrophobicContact CB-CD2 4.44Å; F799-F801 HydrophobicContact CB-CE2 4.2Å; F799-F801 PolarHBondContact O-N 2.83Å; F801-F803 PolarHBondContact O-N 3.42Å
802	E	20.6	Very low	24.4	Very low	181 Å²	181	152 Å²	152	85%	0.846	79%	0.786	S	S	*	*			trans	-65.5	99.7	160.2	-77.9	-175	150.9	0	0	107.8	E800 L804	E800-E802 PolarHBondContact O-N 2.91Å; E802-L804 PolarHBondContact O-N 3.41Å
803	F	22.1	Very low	24.5	Very low	182 Å²	182	147.3 Å²	147.3	80%	0.798	79%	0.786	S	S	*	*			trans	-62.8	120	158.9	-94.1	-94	0	0	0	106.8	F801 I805	F801-F803 PolarHBondContact O-N 3.42Å; F803-I805 PolarHBondContact O-N 3.46Å
804	L	22.3	Very low	24.5	Very low	177 Å²	177	143.9 Å²	143.9	93%	0.927	78%	0.779	S	S	*	*			trans	-57.6	85.6	165.6	-81.3	157.2	0	0	0	108.3	E802 S806	E802-L804 PolarHBondContact O-N 3.41Å; L804-S806 PolarHBondContact O-N 3.1Å; L804-S806 VanDerWaalsContact O-N 3.15Å
805	I	25.6	Very low	24.6	Very low	149 Å²	149	142.5 Å²	142.5	76%	0.764	78%	0.775	S	S	*	*			trans	-67.7	108.6	164.9	-62.7	168.6	0	0	0	104.1	F803	F803-I805 PolarHBondContact O-N 3.46Å
806	S	24.1	Very low	24.5	Very low	97 Å²	97	142.8 Å²	142.8	68%	0.678	78%	0.777	S	S	*	*			trans	-44.1	126.7	170.2	51.1	0	0	0	0	109.3	L804	L804-S806 PolarHBondContact O-N 3.1Å; L804-S806 VanDerWaalsContact O-N 3.15Å
807	P	27.3	Very low	24.5	Very low	113 Å²	113	140.1 Å²	140.1	73%	0.734	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-61.7	143.6	-176.1	24.1	-30.9	0	0	0	110.2
808	P	28	Very low	24.6	Very low	118 Å²	118	135.9 Å²	135.9	77%	0.766	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-65.9	138.1	-172	25.6	-31.7	0	0	0	111.6	P810	P808-P810 WeakPolarHBondContact O-CD 3.21Å
809	I	28.6	Very low	24.8	Very low	128 Å²	128	137.6 Å²	137.6	66%	0.656	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-64.5	120	-176.5	-59.3	163.2	0	0	0	109.4	G811 T812	I809-G811 PolarHBondContact O-N 3.04Å; I809-T812 PolarHBondContact O-N 3.48Å; I809-T812 PolarHBondContact O-OG1 2.77Å; I809-T812 VanDerWaalsContact O-OG1 3.11Å
810	P	27.3	Very low	25	Very low	131 Å²	131	135.9 Å²	135.9	85%	0.851	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	126.1	176.9	-14.7	28.3	0	0	0	110.2	P808	P808-P810 WeakPolarHBondContact O-CD 3.21Å
811	G	30.1	Very low	25.1	Very low	80 Å²	80	136.5 Å²	136.5	83%	0.825	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	119	-18.4	-177.6	0	0	0	0	0	113.7	I809 C813	I809-G811 PolarHBondContact O-N 3.04Å; G811-C813 PolarHBondContact O-N 2.87Å
812	T	25.6	Very low	25.2	Very low	92 Å²	92	139.5 Å²	139.5	56%	0.564	77%	0.77	S	S	*	*			trans	-85.1	104.1	165.2	57.2	0	0	0	0	108.6	I809 A814	I809-T812 PolarHBondContact O-N 3.48Å; I809-T812 PolarHBondContact O-OG1 2.77Å; I809-T812 VanDerWaalsContact O-OG1 3.11Å; T812-A814 PolarHBondContact O-N 2.89Å
813	C	23.7	Very low	25.5	Very low	125 Å²	125	136.4 Å²	136.4	85%	0.845	77%	0.766	S	S	*	*			trans	-63.6	75.6	160.9	37.8	0	0	0	0	108.9	G811 V815	G811-C813 PolarHBondContact O-N 2.87Å; C813-V815 VanDerWaalsContact C-N 3.32Å; C813-V815 PolarHBondContact O-N 2.88Å
814	A	25	Very low	25.7	Very low	80 Å²	80	135.3 Å²	135.3	66%	0.661	76%	0.761	S	S	*	*			trans	-64.8	100.9	162.4	0	0	0	0	0	106.1	T812 K816	T812-A814 PolarHBondContact O-N 2.89Å; A814-K816 PolarHBondContact O-N 2.8Å
815	V	26.2	Very low	26	Very low	116 Å²	116	130.8 Å²	130.8	70%	0.703	74%	0.744	S	S	*	*			trans	-43.5	113.2	166.1	175	0	0	0	0	106.4	C813 H817	C813-V815 VanDerWaalsContact C-N 3.32Å; C813-V815 PolarHBondContact O-N 2.88Å; V815-H817 PolarHBondContact O-N 2.93Å; V815-H817 PolarHBondContact O-ND1 2.81Å
816	K	23.2	Very low	26.3	Very low	208 Å²	208	127.4 Å²	127.4	90%	0.904	74%	0.739	S	S	*	*			trans	-56	83.7	177.4	-76.9	-179.1	176.9	176.3	0	108.4	A814 S818	A814-K816 PolarHBondContact O-N 2.8Å; K816-S818 PolarHBondContact O-N 3.36Å; K816-S818 VanDerWaalsContact O-N 3.16Å
817	H	24.8	Very low	26.8	Very low	155 Å²	155	130.8 Å²	130.8	72%	0.718	74%	0.741	S	S	*	*			trans	-67.8	112.7	156.5	-81.4	68.4	0	0	0	104	V815 V819	V815-H817 PolarHBondContact O-N 2.93Å; V815-H817 PolarHBondContact O-ND1 2.81Å; H817-V819 PolarHBondContact O-N 2.88Å
818	S	25.7	Very low	27.2	Very low	97 Å²	97	127.1 Å²	127.1	68%	0.678	72%	0.72	S	S	*	*			trans	-34.9	128.3	171.9	45.6	0	0	0	0	108.8	K816 I820	K816-S818 PolarHBondContact O-N 3.36Å; K816-S818 VanDerWaalsContact O-N 3.16Å; S818-I820 VanDerWaalsContact C-N 3.28Å; S818-I820 WeakPolarHBondContact O-CG1 3.31Å; S818-I820 PolarHBondContact O-N 3.45Å
819	V	25.9	Very low	27.4	Very low	138 Å²	138	124.9 Å²	124.9	84%	0.836	70%	0.704	S	S	*	*			trans	-52.9	96.5	179.5	175.6	0	0	0	0	107.6	H817 K821	H817-V819 PolarHBondContact O-N 2.88Å; V819-K821 VanDerWaalsContact C-N 3.31Å; V819-K821 PolarHBondContact O-N 3.38Å
820	I	25.7	Very low	27.9	Very low	140 Å²	140	122.5 Å²	122.5	72%	0.718	70%	0.696	S	S	*	*			trans	-69.4	99.3	176.1	-60.3	-179.5	0	0	0	104.1	S818 R822	S818-I820 VanDerWaalsContact C-N 3.28Å; S818-I820 WeakPolarHBondContact O-CG1 3.31Å; S818-I820 PolarHBondContact O-N 3.45Å; I820-R822 PolarHBondContact O-N 3.21Å; I820-R822 VanDerWaalsContact O-N 3.14Å
821	K	23.8	Very low	28.5	Very low	188 Å²	188	122.7 Å²	122.7	82%	0.817	68%	0.683	S	S	*	*			trans	-44.8	124.3	169.1	-73.7	-178.4	177.2	178	0	106.8	V819	V819-K821 VanDerWaalsContact C-N 3.31Å; V819-K821 PolarHBondContact O-N 3.38Å
822	R	24.1	Very low	28.9	Very low	234 Å²	234	121.2 Å²	121.2	88%	0.883	66%	0.663	S	S	*	*			trans	-34.7	126.4	176.7	-92.7	-179.5	170.1	158.9	-2.3	108.9	I820 K824	I820-R822 PolarHBondContact O-N 3.21Å; I820-R822 VanDerWaalsContact O-N 3.14Å; R822-K824 PolarHBondContact O-N 2.95Å
823	P	25.8	Very low	29.8	Very low	116 Å²	116	121.5 Å²	121.5	75%	0.753	66%	0.661	S	S	*	*			trans	-54.8	121.5	174.5	22.6	-30.3	0	0	0	106.4	S825	P823-S825 PolarHBondContact O-N 2.89Å
824	K	26.6	Very low	30.6	Very low	159 Å²	159	122.3 Å²	122.3	69%	0.691	65%	0.65	S	S	*	*			trans	-49.6	136.4	179.5	-62.3	179.4	175.6	177.1	0	106.6	R822 A826 A828 V829	R822-K824 PolarHBondContact O-N 2.95Å; K824-A826 PolarHBondContact O-N 2.92Å; K824-A828 HydrophobicContact CB-CB 3.67Å; K824-A828 HydrophobicContact CD-CB 4.46Å; K824-V829 WeakPolarHBondContact O-CG2 3.39Å
825	S	29.2	Very low	31.6	Very low	82 Å²	82	124 Å²	124	57%	0.573	64%	0.644	S	S	*	*			trans	-39.5	143.1	-178	63.2	0	0	0	0	111	P823 F827 A828 V829	P823-S825 PolarHBondContact O-N 2.89Å; S825-F827 CarbonylContact O-C 3.54Å; S825-F827 PolarHBondContact O-N 2.79Å; S825-A828 WeakPolarHBondContact O-CA 3.4Å; S825-A828 WeakPolarHBondContact O-CB 3.41Å; S825-A828 PolarHBondContact O-N 2.98Å; S825-V829 PolarHBondContact O-N 3.11Å
826	A	32	Very low	32.3	Very low	79 Å²	79	125.1 Å²	125.1	65%	0.653	64%	0.64	S	S	*	*	H	α-helix	trans	-45.3	-31.8	-176.1	0	0	0	0	0	113.4	K824 A828 V829 T830	K824-A826 PolarHBondContact O-N 2.92Å; A826-A828 PolarHBondContact O-N 2.92Å; A826-V829 PolarHBondContact O-N 3.35Å; A826-T830 PolarHBondContact O-N 3.4Å; A826-T830 PolarHBondContact O-OG1 3.33Å; A826-T830 VanDerWaalsContact O-OG1 3.09Å
827	F	34.2	Very low	33	Very low	168 Å²	168	120.5 Å²	120.5	74%	0.737	62%	0.621	S	S	*	*	H	α-helix	trans	-62.6	-35.9	174.3	-144.5	-89.8	0	0	0	115.3	S825 T830 K831	S825-F827 CarbonylContact O-C 3.54Å; S825-F827 PolarHBondContact O-N 2.79Å; F827-T830 VanDerWaalsContact C-OG1 3.31Å; F827-T830 WeakPolarHBondContact CA-OG1 3.38Å; F827-T830 PolarHBondContact O-OG1 3.35Å; F827-K831 WeakPolarHBondContact O-CB 3.44Å; F827-K831 PolarHBondContact O-N 2.98Å; F827-K831 VanDerWaalsContact O-N 3.09Å
828	A	35.2	Very low	33.9	Very low	35 Å²	35	119.1 Å²	119.1	29%	0.289	62%	0.615	S	S	.	*	H	α-helix	trans	-78.4	-30.9	175.5	0	0	0	0	0	112.1	K824 S825 A826 A832	K824-A828 HydrophobicContact CB-CB 3.67Å; K824-A828 HydrophobicContact CD-CB 4.46Å; S825-A828 WeakPolarHBondContact O-CA 3.4Å; S825-A828 WeakPolarHBondContact O-CB 3.41Å; S825-A828 PolarHBondContact O-N 2.98Å; A826-A828 PolarHBondContact O-N 2.92Å; A828-A832 VanDerWaalsContact O-CB 3.24Å; A828-A832 WeakPolarHBondContact O-CB 3.47Å; A828-A832 PolarHBondContact O-N 3.31Å
829	V	33.6	Very low	34.9	Very low	72 Å²	72	120.3 Å²	120.3	44%	0.436	61%	0.61	S	S	.	*	H	α-helix	trans	-68.1	-44.5	173	177.2	0	0	0	0	110	K824 S825 A826 K831 A832 L833	K824-V829 WeakPolarHBondContact O-CG2 3.39Å; S825-V829 PolarHBondContact O-N 3.11Å; A826-V829 PolarHBondContact O-N 3.35Å; V829-K831 VanDerWaalsContact C-N 3.35Å; V829-K831 PolarHBondContact O-N 2.87Å; V829-A832 PolarHBondContact O-N 3.39Å; V829-L833 HydrophobicContact CG1-CD1 3.87Å; V829-L833 WeakPolarHBondContact O-CB 3.3Å; V829-L833 WeakPolarHBondContact O-CG 3.4Å; V829-L833 PolarHBondContact O-N 3.17Å
830	T	37.4	Very low	35.3	Very low	77 Å²	77	119.9 Å²	119.9	47%	0.472	60%	0.598	S	S	.	*	H	α-helix	trans	-64.3	-38	174.8	48.6	0	0	0	0	112.3	A826 F827 K834	A826-T830 PolarHBondContact O-N 3.4Å; A826-T830 PolarHBondContact O-OG1 3.33Å; A826-T830 VanDerWaalsContact O-OG1 3.09Å; F827-T830 VanDerWaalsContact C-OG1 3.31Å; F827-T830 WeakPolarHBondContact CA-OG1 3.38Å; F827-T830 PolarHBondContact O-OG1 3.35Å; T830-K834 WeakPolarHBondContact O-CB 3.39Å; T830-K834 WeakPolarHBondContact O-CG 3.3Å; T830-K834 PolarHBondContact O-N 2.57Å
831	K	40	Very low	36.2	Very low	135 Å²	135	118.2 Å²	118.2	59%	0.587	59%	0.591	S	S	*	*	H	α-helix	trans	-69.2	-40.1	177	-164.5	175.7	-176.8	-179.5	0	112.2	F827 V829 Q835	F827-K831 WeakPolarHBondContact O-CB 3.44Å; F827-K831 PolarHBondContact O-N 2.98Å; F827-K831 VanDerWaalsContact O-N 3.09Å; V829-K831 VanDerWaalsContact C-N 3.35Å; V829-K831 PolarHBondContact O-N 2.87Å; K831-Q835 WeakPolarHBondContact O-CB 2.99Å; K831-Q835 PolarHBondContact O-N 3.19Å
832	A	40	Very low	37.1	Very low	49 Å²	49	113.1 Å²	113.1	41%	0.405	57%	0.572	S	S	.	*	H	α-helix	trans	-71.1	-36.1	177.1	0	0	0	0	0	112.6	A828 V829 Q835 K836	A828-A832 VanDerWaalsContact O-CB 3.24Å; A828-A832 WeakPolarHBondContact O-CB 3.47Å; A828-A832 PolarHBondContact O-N 3.31Å; V829-A832 PolarHBondContact O-N 3.39Å; A832-Q835 PolarHBondContact O-N 3.24Å; A832-K836 WeakPolarHBondContact O-CB 3.2Å; A832-K836 PolarHBondContact O-N 2.83Å
833	L	43.7	Very low	37.8	Very low	98 Å²	98	106.9 Å²	106.9	51%	0.513	56%	0.557	S	S	.	*	H	α-helix	trans	-64.1	-47	171.9	-83.5	164.2	0	0	0	110.8	V829 Q835 K836 E837	V829-L833 HydrophobicContact CG1-CD1 3.87Å; V829-L833 WeakPolarHBondContact O-CB 3.3Å; V829-L833 WeakPolarHBondContact O-CG 3.4Å; V829-L833 PolarHBondContact O-N 3.17Å; L833-Q835 VanDerWaalsContact C-N 3.32Å; L833-Q835 PolarHBondContact O-N 3.25Å; L833-K836 PolarHBondContact O-N 3.15Å; L833-E837 WeakPolarHBondContact O-CG 3.4Å; L833-E837 PolarHBondContact O-N 2.9Å
834	K	40.5	Very low	38.3	Very low	143 Å²	143	106.6 Å²	106.6	62%	0.622	55%	0.548	S	S	*	.	H	α-helix	trans	-61.8	-37.8	175	-77.2	-171.2	176.9	-173.3	0	112.7	T830 H838	T830-K834 WeakPolarHBondContact O-CB 3.39Å; T830-K834 WeakPolarHBondContact O-CG 3.3Å; T830-K834 PolarHBondContact O-N 2.57Å; K834-H838 WeakPolarHBondContact O-CB 3.19Å; K834-H838 PolarHBondContact O-N 3Å
835	Q	46.2	Very low	38.8	Very low	116 Å²	116	104.7 Å²	104.7	54%	0.542	54%	0.541	S	S	.	.	H	α-helix	trans	-67.6	-40.7	174	-85.3	-178.8	-45.8	0	0	112.2	K831 A832 L833 H838 E839	K831-Q835 WeakPolarHBondContact O-CB 2.99Å; K831-Q835 PolarHBondContact O-N 3.19Å; A832-Q835 PolarHBondContact O-N 3.24Å; L833-Q835 VanDerWaalsContact C-N 3.32Å; L833-Q835 PolarHBondContact O-N 3.25Å; Q835-H838 PolarHBondContact O-N 2.78Å; Q835-E839 WeakPolarHBondContact O-CB 3.35Å; Q835-E839 WeakPolarHBondContact O-CG 3.3Å; Q835-E839 PolarHBondContact O-N 3.14Å
836	K	40.8	Very low	39.5	Very low	138 Å²	138	105.7 Å²	105.7	60%	0.6	54%	0.544	S	S	*	.	H	α-helix	trans	-65.3	-39	174.4	-89.6	-169.8	171.6	-171.5	0	112.5	A832 L833 H838 E839 Q840	A832-K836 WeakPolarHBondContact O-CB 3.2Å; A832-K836 PolarHBondContact O-N 2.83Å; L833-K836 PolarHBondContact O-N 3.15Å; K836-H838 VanDerWaalsContact C-N 3.33Å; K836-E839 PolarHBondContact O-N 3.37Å; K836-Q840 VanDerWaalsContact O-CB 3.28Å; K836-Q840 WeakPolarHBondContact O-CB 3.26Å; K836-Q840 VanDerWaalsContact O-CG 3.3Å; K836-Q840 WeakPolarHBondContact O-CG 3.16Å; K836-Q840 PolarHBondContact O-N 3.33Å
837	E	38.5	Very low	39.5	Very low	111 Å²	111	108 Å²	108	52%	0.519	55%	0.545	S	S	.	.	H	α-helix	trans	-62.2	-42.5	172.5	-77.3	174.5	165.6	0	0	110.6	L833 Q840 L841	L833-E837 WeakPolarHBondContact O-CG 3.4Å; L833-E837 PolarHBondContact O-N 2.9Å; E837-Q840 PolarHBondContact O-N 2.56Å; E837-L841 WeakPolarHBondContact O-CB 3.3Å; E837-L841 PolarHBondContact O-N 2.89Å
838	H	43.6	Very low	39.3	Very low	126 Å²	126	104.4 Å²	104.4	58%	0.583	54%	0.539	S	S	*	.	H	α-helix	trans	-68.3	-39	177.1	-128.2	49.2	0	0	0	113.1	K834 Q835 K836 L841 N842	K834-H838 WeakPolarHBondContact O-CB 3.19Å; K834-H838 PolarHBondContact O-N 3Å; Q835-H838 PolarHBondContact O-N 2.78Å; K836-H838 VanDerWaalsContact C-N 3.33Å; H838-L841 PolarHBondContact O-N 2.82Å; H838-N842 WeakPolarHBondContact O-CB 3.49Å; H838-N842 VanDerWaalsContact O-CG 3.31Å; H838-N842 PolarHBondContact O-N 3.26Å
839	E	45.5	Very low	39.3	Very low	123 Å²	123	109.2 Å²	109.2	58%	0.575	56%	0.56	S	S	*	*	H	α-helix	trans	-68.1	-37.6	173.7	-78	176.1	179.3	0	0	111.8	Q835 K836 N842 N843	Q835-E839 WeakPolarHBondContact O-CB 3.35Å; Q835-E839 WeakPolarHBondContact O-CG 3.3Å; Q835-E839 PolarHBondContact O-N 3.14Å; K836-E839 PolarHBondContact O-N 3.37Å; E839-N842 PolarHBondContact O-N 2.94Å; E839-N843 VanDerWaalsContact O-CB 3.3Å; E839-N843 WeakPolarHBondContact O-CB 3.35Å; E839-N843 VanDerWaalsContact O-CG 3.27Å; E839-N843 PolarHBondContact O-N 3.22Å; E839-N843 PolarHBondContact O-ND2 3.11Å
840	Q	35.5	Very low	39.2	Very low	128 Å²	128	112.4 Å²	112.4	60%	0.598	58%	0.575	S	S	*	*	H	α-helix	trans	-68.7	-39.8	173.9	-78.5	-175.9	-16	0	0	111.9	K836 E837 N843 L844	K836-Q840 VanDerWaalsContact O-CB 3.28Å; K836-Q840 WeakPolarHBondContact O-CB 3.26Å; K836-Q840 VanDerWaalsContact O-CG 3.3Å; K836-Q840 WeakPolarHBondContact O-CG 3.16Å; K836-Q840 PolarHBondContact O-N 3.33Å; E837-Q840 PolarHBondContact O-N 2.56Å; Q840-N843 PolarHBondContact O-N 3.11Å; Q840-L844 WeakPolarHBondContact O-CB 3.46Å; Q840-L844 WeakPolarHBondContact O-CG 3.28Å; Q840-L844 PolarHBondContact O-N 3.37Å
841	L	43.1	Very low	38.8	Very low	106 Å²	106	116.9 Å²	116.9	56%	0.555	59%	0.59	S	S	*	*	H	α-helix	trans	-63.6	-43.6	172.8	-104.5	129.4	0	0	0	111.4	E837 H838 L844 Q845	E837-L841 WeakPolarHBondContact O-CB 3.3Å; E837-L841 PolarHBondContact O-N 2.89Å; H838-L841 PolarHBondContact O-N 2.82Å; L841-L844 PolarHBondContact O-N 2.94Å; L841-Q845 WeakPolarHBondContact O-CB 3.48Å; L841-Q845 PolarHBondContact O-N 2.73Å
842	N	43.4	Very low	38.4	Very low	80 Å²	80	118.3 Å²	118.3	43%	0.428	60%	0.604	S	S	.	*	H	α-helix	trans	-67	-38.9	176.7	-76.7	-9.3	0	0	0	112	H838 E839 Q845 V846	H838-N842 WeakPolarHBondContact O-CB 3.49Å; H838-N842 VanDerWaalsContact O-CG 3.31Å; H838-N842 PolarHBondContact O-N 3.26Å; E839-N842 PolarHBondContact O-N 2.94Å; N842-Q845 PolarHBondContact O-N 2.98Å; N842-V846 WeakPolarHBondContact O-CG2 3.47Å; N842-V846 PolarHBondContact O-N 2.81Å
843	N	39.3	Very low	37.9	Very low	104 Å²	104	123.1 Å²	123.1	56%	0.556	62%	0.623	S	S	*	*	H	α-helix	trans	-68	-35.4	175	-76.6	-16	0	0	0	112	E839 Q840 V846 L847	E839-N843 VanDerWaalsContact O-CB 3.3Å; E839-N843 WeakPolarHBondContact O-CB 3.35Å; E839-N843 VanDerWaalsContact O-CG 3.27Å; E839-N843 PolarHBondContact O-N 3.22Å; E839-N843 PolarHBondContact O-ND2 3.11Å; Q840-N843 PolarHBondContact O-N 3.11Å; N843-V846 PolarHBondContact O-N 2.88Å; N843-L847 WeakPolarHBondContact O-CB 3.25Å; N843-L847 PolarHBondContact O-N 3.32Å
844	L	36.3	Very low	37.3	Very low	109 Å²	109	126.1 Å²	126.1	57%	0.571	64%	0.639	S	S	*	*	H	α-helix	trans	-66.6	-37.6	171	-79.5	162.6	0	0	0	111.2	Q840 L841 L847 C848	Q840-L844 WeakPolarHBondContact O-CB 3.46Å; Q840-L844 WeakPolarHBondContact O-CG 3.28Å; Q840-L844 PolarHBondContact O-N 3.37Å; L841-L844 PolarHBondContact O-N 2.94Å; L844-L847 PolarHBondContact O-N 2.97Å; L844-C848 VanDerWaalsContact O-CB 3.31Å; L844-C848 WeakPolarHBondContact O-CB 3.29Å; L844-C848 PolarHBondContact O-N 3.32Å; L844-C848 PolarHBondContact O-SG 2.96Å
845	Q	36.3	Very low	36.9	Very low	119 Å²	119	127.4 Å²	127.4	56%	0.556	65%	0.652	S	S	*	*	H	α-helix	trans	-67.7	-35.9	175.5	-122.3	169	-4.6	0	0	112.7	L841 N842 C848 N849	L841-Q845 WeakPolarHBondContact O-CB 3.48Å; L841-Q845 PolarHBondContact O-N 2.73Å; N842-Q845 PolarHBondContact O-N 2.98Å; Q845-C848 PolarHBondContact O-N 2.87Å; Q845-N849 PolarHBondContact O-N 3.49Å
846	V	43.7	Very low	36	Very low	103 Å²	103	127.9 Å²	127.9	62%	0.624	66%	0.658	S	S	*	*	H	α-helix	trans	-70.6	-35.1	173.9	174.8	0	0	0	0	111.4	N842 N843	N842-V846 WeakPolarHBondContact O-CG2 3.47Å; N842-V846 PolarHBondContact O-N 2.81Å; N843-V846 PolarHBondContact O-N 2.88Å
847	L	33.1	Very low	35.4	Very low	129 Å²	129	128.9 Å²	128.9	68%	0.675	67%	0.67	S	S	*	*	H	α-helix	trans	-72.6	-32.2	173.7	-89.5	149.4	0	0	0	112.9	N843 L844	N843-L847 WeakPolarHBondContact O-CB 3.25Å; N843-L847 PolarHBondContact O-N 3.32Å; L844-L847 PolarHBondContact O-N 2.97Å
848	C	30.3	Very low	34.9	Very low	91 Å²	91	132.6 Å²	132.6	62%	0.615	69%	0.687	S	S	*	*	H	α-helix	trans	-76.5	-19.2	178.9	-72.7	0	0	0	0	114	L844 Q845 N850	L844-C848 VanDerWaalsContact O-CB 3.31Å; L844-C848 WeakPolarHBondContact O-CB 3.29Å; L844-C848 PolarHBondContact O-N 3.32Å; L844-C848 PolarHBondContact O-SG 2.96Å; Q845-C848 PolarHBondContact O-N 2.87Å; C848-N850 VanDerWaalsContact C-N 3.26Å; C848-N850 PolarHBondContact O-N 3.44Å
849	N	34.2	Very low	34.2	Very low	137 Å²	137	130.6 Å²	130.6	73%	0.733	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-7.7	177.4	-80.7	-8.9	0	0	0	114.4	Q845	Q845-N849 PolarHBondContact O-N 3.49Å
850	N	32.7	Very low	33.3	Very low	139 Å²	139	130.5 Å²	130.5	74%	0.743	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	9.9	-175.3	-90.5	-4.2	0	0	0	116.2	C848	C848-N850 VanDerWaalsContact C-N 3.26Å; C848-N850 PolarHBondContact O-N 3.44Å
851	H	29.2	Very low	32.9	Very low	170 Å²	170	134.1 Å²	134.1	79%	0.787	70%	0.703	S	S	*	*	S	Bend	trans	-121.6	103.8	171.5	-87.3	-60.4	0	0	0	112.4	N853	H851-N853 PolarHBondContact O-N 2.82Å
852	N	30.5	Very low	32.1	Very low	165 Å²	165	137.7 Å²	137.7	88%	0.882	72%	0.717	S	S	*	*			trans	-27.2	114.4	168.4	-77.9	-29.4	0	0	0	112.9	N854	N852-N854 PolarHBondContact O-N 3.24Å
853	N	29.5	Very low	31.2	Very low	151 Å²	151	141.3 Å²	141.3	81%	0.807	74%	0.736	S	S	*	*	S	Bend	trans	-40.6	109.3	160.6	-68.5	-41.6	0	0	0	109.7	H851	H851-N853 PolarHBondContact O-N 2.82Å
854	N	31.5	Very low	30.4	Very low	160 Å²	160	143.9 Å²	143.9	86%	0.856	75%	0.748	S	S	*	*			trans	-177.3	6.4	148.9	-91.6	-17.9	0	0	0	116.5	N852	N852-N854 PolarHBondContact O-N 3.24Å
855	L	31.9	Very low	29.8	Very low	170 Å²	170	143.8 Å²	143.8	89%	0.89	76%	0.757	S	S	*	*	S	Bend	trans	-117.6	5.5	-177.8	-95.1	149.9	0	0	0	117.2
856	L	27	Very low	29.2	Very low	127 Å²	127	143.7 Å²	143.7	67%	0.665	77%	0.766	S	S	*	*	S	Bend	trans	-102.2	0.6	178.8	-136	85.3	0	0	0	116	H858 I860	L856-H858 VanDerWaalsContact C-N 3.34Å; L856-H858 PolarHBondContact O-N 2.89Å; L856-I860 HydrophobicContact CD2-CD1 4.32Å
857	N	28.6	Very low	28.3	Very low	159 Å²	159	146.6 Å²	146.6	85%	0.85	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	1.4	-178.9	-93.2	-12.7	0	0	0	115.3
858	H	28.6	Very low	27.8	Very low	189 Å²	189	149.3 Å²	149.3	88%	0.875	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	-3.8	-180	-112.1	-60.3	0	0	0	116.6	L856	L856-H858 VanDerWaalsContact C-N 3.34Å; L856-H858 PolarHBondContact O-N 2.89Å
859	S	28.4	Very low	27.4	Very low	84 Å²	84	154.1 Å²	154.1	59%	0.587	80%	0.796	S	S	*	*	S	Bend	trans	-109.8	-7.5	-178.5	50.5	0	0	0	0	115.8
860	I	26.9	Very low	26.8	Very low	121 Å²	121	156 Å²	156	62%	0.621	80%	0.8	S	S	*	*	S	Bend	trans	-98.9	-7.1	-176.9	-64.1	177.8	0	0	0	113.9	L856 Q862	L856-I860 HydrophobicContact CD2-CD1 4.32Å; I860-Q862 PolarHBondContact O-N 3.17Å
861	K	27.3	Very low	26.2	Very low	203 Å²	203	160.8 Å²	160.8	88%	0.883	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	8.8	178.4	-90.9	-172.8	178.2	179.6	0	116.7
862	Q	26.4	Very low	25.8	Very low	181 Å²	181	159 Å²	159	85%	0.846	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	0.2	179.5	-91.1	-170.8	-5.2	0	0	117.7	I860	I860-Q862 PolarHBondContact O-N 3.17Å
863	N	24.1	Very low	25.4	Very low	156 Å²	156	159.2 Å²	159.2	83%	0.834	81%	0.805	S	S	*	*	S	Bend	trans	-126.6	31.5	-175.2	-81.5	-26.5	0	0	0	116.3
864	I	22.9	Very low	24.9	Very low	158 Å²	158	159.7 Å²	159.7	81%	0.81	81%	0.806	S	S	*	*			trans	-134.4	86.8	168.3	-50.4	176.4	0	0	0	109.5
865	S	23	Very low	24.5	Very low	107 Å²	107	160.7 Å²	160.7	75%	0.748	80%	0.803	S	S	*	*			trans	-118.4	135.1	149.2	65.4	0	0	0	0	108.3	I867	S865-I867 PolarHBondContact O-N 3.25Å
866	P	24.1	Very low	23.9	Very low	117 Å²	117	160.8 Å²	160.8	76%	0.76	80%	0.801	S	S	*	*			trans	-82	123.8	-161.4	1.9	17	0	0	0	109.8	K868	P866-K868 VanDerWaalsContact C-N 3.31Å; P866-K868 PolarHBondContact O-N 3.16Å
867	I	23.2	Very low	23.7	Very low	164 Å²	164	160.7 Å²	160.7	84%	0.841	81%	0.805	S	S	*	*			trans	-64.1	91	173	-61.3	169.6	0	0	0	108.2	S865 H869	S865-I867 PolarHBondContact O-N 3.25Å; I867-H869 PolarHBondContact O-N 3.1Å
868	K	23.3	Very low	23.4	Very low	186 Å²	186	160.3 Å²	160.3	81%	0.809	80%	0.804	S	S	*	*			trans	-70	120.4	162.3	-84.3	-178.9	175.7	176.7	0	107.6	P866 Q870	P866-K868 VanDerWaalsContact C-N 3.31Å; P866-K868 PolarHBondContact O-N 3.16Å; K868-Q870 VanDerWaalsContact C-N 3.33Å; K868-Q870 PolarHBondContact O-N 3.03Å
869	H	22	Very low	23	Very low	193 Å²	193	158.4 Å²	158.4	89%	0.894	80%	0.8	S	S	*	*			trans	-53.1	90.2	168.8	-81.5	-71	0	0	0	111.1	I867	I867-H869 PolarHBondContact O-N 3.1Å
870	Q	21.3	Very low	22.8	Very low	175 Å²	175	161.8 Å²	161.8	82%	0.818	81%	0.811	S	S	*	*			trans	-85.9	114.1	161.4	-82	-175.2	-12.3	0	0	108.3	K868 T872	K868-Q870 VanDerWaalsContact C-N 3.33Å; K868-Q870 PolarHBondContact O-N 3.03Å; Q870-T872 PolarHBondContact O-N 3.24Å
871	R	20.2	Very low	22.5	Very low	240 Å²	240	162.6 Å²	162.6	91%	0.906	82%	0.822	S	S	*	*			trans	-49.7	109.6	166	-75.4	172.3	169.2	168.8	-4.4	108.5	Q873	R871-Q873 VanDerWaalsContact C-N 3.32Å; R871-Q873 PolarHBondContact O-N 3.11Å
872	T	21.6	Very low	22.3	Very low	134 Å²	134	161 Å²	161	82%	0.822	82%	0.82	S	S	*	*			trans	-69.1	90.3	170.3	36.1	0	0	0	0	108.9	Q870 I874	Q870-T872 PolarHBondContact O-N 3.24Å; T872-I874 PolarHBondContact O-N 3.26Å
873	Q	20.8	Very low	22	Very low	168 Å²	168	157.7 Å²	157.7	79%	0.785	81%	0.812	S	S	*	*			trans	-67.5	109.9	157.2	-79.6	-176.1	-12.3	0	0	107.2	R871 K875	R871-Q873 VanDerWaalsContact C-N 3.32Å; R871-Q873 PolarHBondContact O-N 3.11Å; Q873-K875 PolarHBondContact O-N 2.96Å
874	I	20.5	Very low	22	Very low	161 Å²	161	157.1 Å²	157.1	83%	0.826	82%	0.815	S	S	*	*			trans	-61.9	98.5	170.1	-61.7	165.6	0	0	0	106.6	T872	T872-I874 PolarHBondContact O-N 3.26Å
875	K	22	Very low	21.9	Very low	181 Å²	181	156.1 Å²	156.1	79%	0.787	82%	0.816	S	S	*	*			trans	-97.3	116.4	162.6	-89.7	-175	175	-178.8	0	107.5	Q873 T877	Q873-K875 PolarHBondContact O-N 2.96Å; K875-T877 PolarHBondContact O-N 2.73Å
876	M	20.5	Very low	22.1	Very low	173 Å²	173	157 Å²	157	85%	0.852	82%	0.817	S	S	*	*			trans	-46.1	123.1	174	-64.7	-79.1	-148	0	0	110.8	N878	M876-N878 PolarHBondContact O-N 2.79Å
877	T	21.3	Very low	22	Very low	124 Å²	124	156.8 Å²	156.8	76%	0.761	82%	0.818	S	S	*	*			trans	-80.7	98.8	170.4	47.4	0	0	0	0	108.3	K875 D879	K875-T877 PolarHBondContact O-N 2.73Å; T877-D879 PolarHBondContact O-N 2.91Å
878	N	23	Very low	22.1	Very low	152 Å²	152	152.7 Å²	152.7	81%	0.813	81%	0.809	S	S	*	*			trans	-78.1	104.2	162.8	-89.9	-8.3	0	0	0	107.8	M876 N880	M876-N878 PolarHBondContact O-N 2.79Å; N878-N880 PolarHBondContact O-N 3.35Å; N878-N880 VanDerWaalsContact O-N 3.12Å
879	D	20.8	Very low	22.1	Very low	148 Å²	148	149.5 Å²	149.5	79%	0.791	81%	0.805	S	S	*	*			trans	-66.5	100.9	162.2	-70.8	-31.3	0	0	0	108.1	T877	T877-D879 PolarHBondContact O-N 2.91Å
880	N	23.9	Very low	22.3	Very low	156 Å²	156	146.8 Å²	146.8	83%	0.834	80%	0.797	S	S	*	*			trans	-146	88.8	156.9	-92.5	-20.8	0	0	0	107.5	N878 M882	N878-N880 PolarHBondContact O-N 3.35Å; N878-N880 VanDerWaalsContact O-N 3.12Å; N880-M882 PolarHBondContact O-N 2.73Å
881	T	20.7	Very low	22.4	Very low	138 Å²	138	145.9 Å²	145.9	85%	0.847	80%	0.798	S	S	*	*			trans	-60.4	113.7	161.7	46.9	0	0	0	0	109.2
882	M	22.3	Very low	22.8	Very low	170 Å²	170	140.2 Å²	140.2	84%	0.837	80%	0.795	S	S	*	*			trans	-165.5	99.6	150.8	-100.3	-81.6	143.7	0	0	108	N880	N880-M882 PolarHBondContact O-N 2.73Å
883	T	20.5	Very low	22.9	Very low	111 Å²	111	141.2 Å²	141.2	68%	0.681	80%	0.795	S	S	*	*			trans	8.4	121.4	145	50	0	0	0	0	117.8
884	T	23.9	Very low	23.3	Very low	144 Å²	144	141.4 Å²	141.4	88%	0.883	80%	0.8	S	S	*	*				-173.6	128.8	115.4	24.3	0	0	0	0	110
885	T	20	Very low	23.3	Very low	136 Å²	136	138.4 Å²	138.4	83%	0.834	79%	0.793	S	S	*	*			trans	-90.8	123.9	-177.9	42.7	0	0	0	0	110.6
886	T	27.5	Very low	23.4	Very low	127 Å²	127	134.4 Å²	134.4	78%	0.779	79%	0.788	S	S	*	*			trans	-153.6	103.8	155.6	41.7	0	0	0	0	106.8
887	S	23.5	Very low	23.6	Very low	111 Å²	111	132.5 Å²	132.5	78%	0.776	78%	0.782	S	S	*	*				46.7	130	93.2	70.2	0	0	0	0	113.1
888	A	24	Very low	23.9	Very low	79 Å²	79	132.8 Å²	132.8	65%	0.653	78%	0.778	S	S	*	*			cis	-175.2	167.7	-2.1	0	0	0	0	0	106.6
889	T	24	Very low	23.9	Very low	118 Å²	118	132.6 Å²	132.6	72%	0.724	78%	0.777	S	S	*	*			trans	74.9	119.7	143.3	47	0	0	0	0	122.7
890	N	25.9	Very low	24.2	Very low	136 Å²	136	132.4 Å²	132.4	73%	0.727	78%	0.781	S	S	*	*				96	100.7	125.2	-66.6	-7.2	0	0	0	120.5
891	N	23.5	Very low	24.1	Very low	157 Å²	157	130.5 Å²	130.5	84%	0.84	78%	0.776	S	S	*	*				32.2	119.7	115.1	-71.3	-9.8	0	0	0	118.2
892	S	28.5	Very low	24.4	Very low	120 Å²	120	131 Å²	131	84%	0.839	78%	0.779	S	S	*	*				-162.6	128.2	125	42.7	0	0	0	0	111.8
893	N	23	Very low	24.3	Very low	156 Å²	156	128.7 Å²	128.7	83%	0.834	77%	0.774	S	S	*	*			trans	-67.1	137.4	167.3	-65.1	-44	0	0	0	110.3
894	I	29.2	Very low	24.5	Very low	171 Å²	171	128.2 Å²	128.2	88%	0.877	78%	0.776	S	S	*	*			trans	-134.6	105.7	146.8	-62.2	-177.3	0	0	0	108
895	S	22.1	Very low	24.3	Very low	98 Å²	98	127.3 Å²	127.3	69%	0.685	77%	0.77	S	S	*	*			trans	-83.2	167.7	165.1	53.7	0	0	0	0	111.5
896	S	23.9	Very low	24.5	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	77%	0.767	S	S	*	*			trans	95.9	114.1	159.2	79.5	0	0	0	0	116.5
897	N	24.6	Very low	24.2	Very low	134 Å²	134	128 Å²	128	72%	0.717	77%	0.769	S	S	*	*				-176.3	135.6	92.8	-96.9	-20.9	0	0	0	114.5
898	N	27.4	Very low	24.2	Very low	130 Å²	130	128 Å²	128	70%	0.695	77%	0.769	S	S	*	*			trans	83.4	84.2	137.6	-58.5	-12.3	0	0	0	121.3
899	N	23.7	Very low	24.1	Very low	147 Å²	147	129.6 Å²	129.6	79%	0.786	78%	0.775	S	S	*	*				-0.4	125.5	122.4	-66	-17.3	0	0	0	117.5
900	T	26.7	Very low	24	Very low	144 Å²	144	131.2 Å²	131.2	88%	0.883	78%	0.778	S	S	*	*			trans	-134.6	91.9	140.7	36	0	0	0	0	109.2
901	T	21.3	Very low	23.9	Very low	116 Å²	116	131.8 Å²	131.8	71%	0.712	78%	0.781	S	S	*	*			trans	-79	125.5	161.7	37.1	0	0	0	0	109.1
902	T	26.3	Very low	23.8	Very low	148 Å²	148	130.7 Å²	130.7	91%	0.908	78%	0.775	S	S	*	*			trans	-120.8	132.1	155.5	43.1	0	0	0	0	109.5
903	T	21.1	Very low	23.5	Very low	122 Å²	122	131.7 Å²	131.7	75%	0.748	77%	0.771	S	S	*	*			trans	-105.7	174	-161.7	38.6	0	0	0	0	111.5
904	S	23.6	Very low	23.6	Very low	102 Å²	102	131.8 Å²	131.8	71%	0.713	77%	0.771	S	S	*	*			trans	93.9	98.5	158.8	75	0	0	0	0	116
905	T	21.1	Very low	23.3	Very low	124 Å²	124	130.5 Å²	130.5	76%	0.761	77%	0.767	S	S	*	*				67.8	116.1	78	60.2	0	0	0	0	114.4
906	T	24.2	Very low	23.3	Very low	127 Å²	127	135.6 Å²	135.6	78%	0.779	78%	0.776	S	S	*	*				171.7	118.4	108.3	35	0	0	0	0	113.1
907	N	21.6	Very low	23.3	Very low	150 Å²	150	135.6 Å²	135.6	80%	0.802	78%	0.776	S	S	*	*			trans	36.1	138.4	133.7	-68.9	-13	0	0	0	123.8
908	S	22.5	Very low	23.2	Very low	113 Å²	113	134.5 Å²	134.5	79%	0.79	77%	0.774	S	S	*	*			trans	94.9	103.9	142.3	76.9	0	0	0	0	118.3
909	S	22.3	Very low	23	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	78%	0.78	S	S	*	*				176.9	118.4	101.4	42.6	0	0	0	0	109.7	N911	S909-N911 PolarHBondContact O-N 3.33Å
910	I	22.5	Very low	23	Very low	152 Å²	152	134.3 Å²	134.3	78%	0.779	77%	0.772	S	S	*	*			trans	-66.7	112.6	170.4	-67.4	161.7	0	0	0	106.6
911	N	22.8	Very low	22.9	Very low	148 Å²	148	132.4 Å²	132.4	79%	0.791	76%	0.756	S	S	*	*			trans	-122.2	93.3	163.1	-114.4	-12.8	0	0	0	108.7	S909 N913	S909-N911 PolarHBondContact O-N 3.33Å; N911-N913 PolarHBondContact O-N 2.79Å
912	N	21.8	Very low	23.1	Very low	134 Å²	134	131 Å²	131	72%	0.717	74%	0.744	S	S	*	*			trans	-60.5	98.6	167.6	-83	-27.1	0	0	0	109.1
913	N	22.8	Very low	23.2	Very low	142 Å²	142	131 Å²	131	76%	0.759	73%	0.728	S	S	*	*			trans	-120.5	102	157	-89.8	-25.5	0	0	0	108.8	N911 N915	N911-N913 PolarHBondContact O-N 2.79Å; N913-N915 PolarHBondContact O-N 3.46Å
914	N	23.3	Very low	23.5	Very low	157 Å²	157	126.4 Å²	126.4	84%	0.84	70%	0.701	S	S	*	*			trans	-58.8	76.4	172.8	-77.5	-36.4	0	0	0	111.3
915	N	23.4	Very low	23.7	Very low	145 Å²	145	129.5 Å²	129.5	78%	0.775	70%	0.702	S	S	*	*			trans	-101.1	103.2	160.7	-80.2	-19.5	0	0	0	107.4	N913 S917	N913-N915 PolarHBondContact O-N 3.46Å; N915-S917 VanDerWaalsContact C-N 3.29Å; N915-S917 PolarHBondContact O-N 2.98Å
916	K	22.9	Very low	24	Very low	204 Å²	204	127.7 Å²	127.7	89%	0.887	69%	0.687	S	S	*	*			trans	-48.7	93	171.5	-73.5	174.9	177.4	174.5	0	109	T918	K916-T918 VanDerWaalsContact C-N 3.34Å; K916-T918 PolarHBondContact O-N 3.17Å
917	S	22.9	Very low	24.1	Very low	98 Å²	98	124.5 Å²	124.5	69%	0.685	67%	0.665	S	S	*	*			trans	-65.3	98.8	169.2	55.6	0	0	0	0	106.7	N915 N919	N915-S917 VanDerWaalsContact C-N 3.29Å; N915-S917 PolarHBondContact O-N 2.98Å; S917-N919 PolarHBondContact O-N 3.38Å
918	T	22.2	Very low	24.4	Very low	110 Å²	110	121.1 Å²	121.1	68%	0.675	65%	0.65	S	S	*	*			trans	-53.5	109.9	165.1	48.1	0	0	0	0	107	K916 I920	K916-T918 VanDerWaalsContact C-N 3.34Å; K916-T918 PolarHBondContact O-N 3.17Å; T918-I920 PolarHBondContact O-N 2.82Å
919	N	23.5	Very low	24.7	Very low	150 Å²	150	124.5 Å²	124.5	80%	0.802	65%	0.65	S	S	*	*			trans	-60.5	88.7	171.2	-78.7	-20.1	0	0	0	108.2	S917 I921	S917-N919 PolarHBondContact O-N 3.38Å; N919-I921 PolarHBondContact O-N 2.78Å; N919-I921 VanDerWaalsContact O-N 3.17Å
920	I	24.2	Very low	25.1	Very low	124 Å²	124	124.7 Å²	124.7	64%	0.636	64%	0.639	S	S	*	*			trans	-73.4	106.3	172.7	-67	168.3	0	0	0	105.5	T918 D922	T918-I920 PolarHBondContact O-N 2.82Å; I920-D922 PolarHBondContact O-N 2.69Å
921	I	25.6	Very low	25.3	Very low	104 Å²	104	124.2 Å²	124.2	53%	0.533	63%	0.628	S	S	.	*			trans	-59.9	120.7	175.5	-63.2	169	0	0	0	107.7	N919 Y923	N919-I921 PolarHBondContact O-N 2.78Å; N919-I921 VanDerWaalsContact O-N 3.17Å; I921-Y923 HydrophobicContact CB-CE2 4.44Å; I921-Y923 WeakPolarHBondContact O-CD2 3.31Å; I921-Y923 PolarHBondContact O-N 3.26Å
922	D	25.3	Very low	25.8	Very low	87 Å²	87	122.7 Å²	122.7	47%	0.465	62%	0.62	S	S	.	*			trans	-68.9	91.2	177.9	-169.8	-1	0	0	0	109.8	I920 S924	I920-D922 PolarHBondContact O-N 2.69Å; D922-S924 VanDerWaalsContact CG-OG 3.3Å; D922-S924 PolarHBondContact O-N 3.08Å; D922-S924 VanDerWaalsContact O-N 3.13Å; D922-S924 WeakPolarHBondContact OD1-CB 3.17Å; D922-S924 PolarHBondContact OD1-OG 3.43Å
923	Y	27.5	Very low	26.4	Very low	146 Å²	146	118.9 Å²	118.9	57%	0.573	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-10.7	-176.2	-79.1	-82.5	0	0	0	113.8	I921 K925 L926 L927	I921-Y923 HydrophobicContact CB-CE2 4.44Å; I921-Y923 WeakPolarHBondContact O-CD2 3.31Å; I921-Y923 PolarHBondContact O-N 3.26Å; Y923-K925 VanDerWaalsContact C-N 3.28Å; Y923-K925 PolarHBondContact O-N 3.31Å; Y923-L926 PolarHBondContact O-N 3.2Å; Y923-L926 VanDerWaalsContact O-N 3.14Å; Y923-L927 PolarHBondContact O-N 3.49Å; Y923-L927 VanDerWaalsContact O-N 3.16Å
924	S	27.3	Very low	26.7	Very low	26 Å²	26	117.7 Å²	117.7	18%	0.182	59%	0.585	C	S	.	*	H	α-helix	trans	-58.7	-37.3	179.8	64.1	0	0	0	0	112.7	D922 T928	D922-S924 VanDerWaalsContact CG-OG 3.3Å; D922-S924 PolarHBondContact O-N 3.08Å; D922-S924 VanDerWaalsContact O-N 3.13Å; D922-S924 WeakPolarHBondContact OD1-CB 3.17Å; D922-S924 PolarHBondContact OD1-OG 3.43Å; S924-T928 PolarHBondContact O-OG1 2.84Å
925	K	28	Very low	27.4	Very low	168 Å²	168	112.4 Å²	112.4	73%	0.73	56%	0.561	S	S	*	*	H	α-helix	trans	-78.9	-21.7	177.9	-78	179.5	179.7	170.1	0	114.2	Y923	Y923-K925 VanDerWaalsContact C-N 3.28Å; Y923-K925 PolarHBondContact O-N 3.31Å
926	L	28	Very low	28.1	Very low	86 Å²	86	109.7 Å²	109.7	45%	0.45	55%	0.553	S	S	.	*	H	α-helix	trans	-85.8	-36.1	-178.5	-129.9	121.9	0	0	0	111.8	Y923	Y923-L926 PolarHBondContact O-N 3.2Å; Y923-L926 VanDerWaalsContact O-N 3.14Å
927	L	26.4	Very low	28.9	Very low	60 Å²	60	104.6 Å²	104.6	31%	0.314	54%	0.536	S	S	.	.	H	α-helix	trans	-75.2	-33.4	-174.3	-81.9	153	0	0	0	113.9	Y923 K929 Y931	Y923-L927 PolarHBondContact O-N 3.49Å; Y923-L927 VanDerWaalsContact O-N 3.16Å; L927-K929 PolarHBondContact O-N 2.81Å; L927-Y931 HydrophobicContact CD2-CD2 3.62Å; L927-Y931 HydrophobicContact CD2-CE2 3.3Å; L927-Y931 PolarHBondContact O-N 3.31Å
928	T	28.1	Very low	29.8	Very low	79 Å²	79	102.4 Å²	102.4	49%	0.485	52%	0.516	S	S	.	.	H	α-helix	trans	-72.9	-23.4	-178	44.1	0	0	0	0	114.1	S924 T972	S924-T928 PolarHBondContact O-OG1 2.84Å; T928-T972 HydrophobicContact CG2-CG2 4.04Å
929	K	29	Very low	30.8	Very low	184 Å²	184	98.1 Å²	98.1	80%	0.8	49%	0.489	S	S	*	.	H	α-helix	trans	-92.3	-24.6	176.3	-76.7	-172.7	177.2	-179	0	114.3	L927	L927-K929 PolarHBondContact O-N 2.81Å
930	Q	29.3	Very low	31.9	Very low	115 Å²	115	95 Å²	95	54%	0.537	47%	0.472	S	S	.	.	H	α-helix	trans	-100	-20.8	-170.7	-77.4	-174.9	-19.8	0	0	115.5	L932	Q930-L932 PolarHBondContact O-N 2.6Å
931	Y	27.6	Very low	32.9	Very low	141 Å²	141	94.8 Å²	94.8	55%	0.553	47%	0.469	S	S	*	.			trans	-93.4	93.6	178	-76.3	-93.3	0	0	0	111	L927 Y933	L927-Y931 HydrophobicContact CD2-CD2 3.62Å; L927-Y931 HydrophobicContact CD2-CE2 3.3Å; L927-Y931 PolarHBondContact O-N 3.31Å; Y931-Y933 VanDerWaalsContact O-CD2 3.31Å; Y931-Y933 WeakPolarHBondContact O-CD2 3.29Å; Y931-Y933 WeakPolarHBondContact O-CE2 3.3Å; Y931-Y933 PolarHBondContact O-N 3.44Å; Y931-Y933 VanDerWaalsContact O-N 3.11Å
932	L	33.8	Very low	33.9	Very low	117 Å²	117	91.9 Å²	91.9	61%	0.613	45%	0.452	S	S	*	.			trans	-79.2	86.2	171.9	-83.2	145.4	0	0	0	109.6	R560 Q930 Q934	R560-L932 VanDerWaalsContact NH1-CD2 3.26Å; Q930-L932 PolarHBondContact O-N 2.6Å; L932-Q934 PolarHBondContact O-N 3.45Å
933	Y	33.2	Very low	35.1	Very low	53 Å²	53	88.5 Å²	88.5	21%	0.208	43%	0.433	C	S	.	.			trans	-52.9	127.6	174	-58.7	-69.8	0	0	0	110.8	Y931 D938 I939 F942	Y931-Y933 VanDerWaalsContact O-CD2 3.31Å; Y931-Y933 WeakPolarHBondContact O-CD2 3.29Å; Y931-Y933 WeakPolarHBondContact O-CE2 3.3Å; Y931-Y933 PolarHBondContact O-N 3.44Å; Y931-Y933 VanDerWaalsContact O-N 3.11Å; Y933-D938 HydrophobicContact CD1-CB 3.63Å; Y933-D938 HydrophobicContact CG-CB 4.28Å; Y933-I939 HydrophobicContact CD2-CG1 4.13Å; Y933-I939 HydrophobicContact CG-CG1 3.93Å; Y933-F942 HydrophobicContact CE1-CB 3.86Å; Y933-F942 HydrophobicContact CE1-CD2 4.38Å; Y933-F942 HydrophobicContact CE1-CG 4.08Å; Y933-F942 AromaticContact CZ-CD1 3.95Å; Y933-F942 AromaticContact CZ-CG 3.75Å; Y933-F942 WeakPolarHBondContact OH-CD1 3.24Å; Y933-F942 WeakPolarHBondContact OH-CD2 3.43Å; Y933-F942 WeakPolarHBondContact OH-CE1 3.39Å; Y933-F942 WeakPolarHBondContact OH-CE2 3.21Å; Y933-F942 WeakPolarHBondContact OH-CG 3.28Å
934	Q	29.9	Very low	36.1	Very low	117 Å²	117	87.5 Å²	87.5	55%	0.547	43%	0.43	S	S	.	.	S	Bend	trans	-90.3	-16.8	-176.3	-67.8	-171.1	-7.8	0	0	112.2	Y545 L932 D938	Y545-Q934 WeakPolarHBondContact CE2-O 3.36Å; L932-Q934 PolarHBondContact O-N 3.45Å; Q934-D938 WeakPolarHBondContact CA-OD2 3.43Å; Q934-D938 PolarHBondContact N-OD2 3.38Å
935	S	37.4	Very low	37.2	Very low	47 Å²	47	92.7 Å²	92.7	33%	0.329	45%	0.446	S	S	.	.	S	Bend	trans	-144.7	160.1	-179.8	80.5	0	0	0	0	113	N937 D938	S935-N937 PolarHBondContact O-N 2.76Å; S935-N937 WeakPolarHBondContact OG-CB 3.46Å; S935-N937 PolarHBondContact OG-N 3.35Å; S935-D938 PolarHBondContact N-OD2 2.89Å; S935-D938 PolarHBondContact O-N 3.46Å; S935-D938 VanDerWaalsContact O-N 3.16Å; S935-D938 VanDerWaalsContact OG-CG 3.24Å; S935-D938 PolarHBondContact OG-N 3.35Å; S935-D938 PolarHBondContact OG-OD1 2.89Å
936	S	38.1	Very low	38.3	Very low	88 Å²	88	84.9 Å²	84.9	62%	0.615	41%	0.412	S	S	*	.	H	α-helix	trans	-59.6	-27.7	170.4	49.1	0	0	0	0	112.5	I939 N940	S936-I939 PolarHBondContact O-N 3.44Å; S936-N940 PolarHBondContact O-N 3.36Å; S936-N940 VanDerWaalsContact O-N 3.15Å
937	N	40.1	Very low	39.7	Very low	97 Å²	97	83.6 Å²	83.6	52%	0.519	41%	0.406	S	S	.	.	H	α-helix	trans	-66.2	-38.6	174.6	-84.2	-3.8	0	0	0	112.1	S935 I939 N940 Q941	S935-N937 PolarHBondContact O-N 2.76Å; S935-N937 WeakPolarHBondContact OG-CB 3.46Å; S935-N937 PolarHBondContact OG-N 3.35Å; N937-I939 VanDerWaalsContact C-N 3.27Å; N937-I939 PolarHBondContact O-N 2.72Å; N937-N940 PolarHBondContact O-N 2.73Å; N937-Q941 WeakPolarHBondContact O-CG 3.3Å; N937-Q941 PolarHBondContact O-N 3.16Å
938	D	40.7	Very low	40.9	Very low	51 Å²	51	86.9 Å²	86.9	27%	0.273	42%	0.417	S	S	.	.	H	α-helix	trans	-65.3	-35.8	179.2	-45.2	-21.1	0	0	0	110.7	Y933 Q934 S935 Q941 F942	Y933-D938 HydrophobicContact CD1-CB 3.63Å; Y933-D938 HydrophobicContact CG-CB 4.28Å; Q934-D938 WeakPolarHBondContact CA-OD2 3.43Å; Q934-D938 PolarHBondContact N-OD2 3.38Å; S935-D938 PolarHBondContact N-OD2 2.89Å; S935-D938 PolarHBondContact O-N 3.46Å; S935-D938 VanDerWaalsContact O-N 3.16Å; S935-D938 VanDerWaalsContact OG-CG 3.24Å; S935-D938 PolarHBondContact OG-N 3.35Å; S935-D938 PolarHBondContact OG-OD1 2.89Å; D938-Q941 PolarHBondContact O-N 3.12Å; D938-F942 WeakPolarHBondContact O-CB 3.49Å; D938-F942 PolarHBondContact O-N 3.26Å
939	I	44.4	Very low	42.2	Very low	21 Å²	21	86.8 Å²	86.8	11%	0.108	41%	0.411	C	S	.	.	H	α-helix	trans	-66.3	-44.2	175.7	-60.8	174.2	0	0	0	110.6	Y933 S936 N937 F942 K943 Y980	Y933-I939 HydrophobicContact CD2-CG1 4.13Å; Y933-I939 HydrophobicContact CG-CG1 3.93Å; S936-I939 PolarHBondContact O-N 3.44Å; N937-I939 VanDerWaalsContact C-N 3.27Å; N937-I939 PolarHBondContact O-N 2.72Å; I939-F942 PolarHBondContact O-N 3.5Å; I939-K943 WeakPolarHBondContact O-CG 3.28Å; I939-K943 PolarHBondContact O-N 3.06Å; I939-Y980 HydrophobicContact CD1-CD1 3.87Å; I939-Y980 HydrophobicContact CD1-CE1 4.08Å; I939-Y980 HydrophobicContact CD1-CG 4.13Å
940	N	45.3	Very low	43.6	Very low	84 Å²	84	78.6 Å²	78.6	45%	0.449	38%	0.376	S	S	.	.	H	α-helix	trans	-66.6	-37.2	178.1	-74.7	-18.8	0	0	0	112.2	S936 N937 K943 Y944	S936-N940 PolarHBondContact O-N 3.36Å; S936-N940 VanDerWaalsContact O-N 3.15Å; N937-N940 PolarHBondContact O-N 2.73Å; N940-K943 WeakPolarHBondContact O-CB 3.4Å; N940-K943 PolarHBondContact O-N 2.84Å; N940-Y944 PolarHBondContact O-N 3.28Å
941	Q	45.2	Very low	44.8	Very low	120 Å²	120	77.4 Å²	77.4	56%	0.561	37%	0.37	S	S	*	.	H	α-helix	trans	-64.5	-39.5	171.8	-74.5	-177.7	-6.1	0	0	112	N937 D938 Y944 Y945	N937-Q941 WeakPolarHBondContact O-CG 3.3Å; N937-Q941 PolarHBondContact O-N 3.16Å; D938-Q941 PolarHBondContact O-N 3.12Å; Q941-Y944 WeakPolarHBondContact O-CB 3.5Å; Q941-Y944 PolarHBondContact O-N 3.09Å; Q941-Y945 PolarHBondContact O-N 3.03Å
942	F	47.6	Very low	45.9	Very low	42 Å²	42	77.5 Å²	77.5	18%	0.184	38%	0.376	C	S	.	.	H	α-helix	trans	-68.1	-40.4	175.8	-169.3	-109.6	0	0	0	112.4	Y933 D938 I939 Y944 Y945 L946 L976	Y933-F942 HydrophobicContact CE1-CB 3.86Å; Y933-F942 HydrophobicContact CE1-CD2 4.38Å; Y933-F942 HydrophobicContact CE1-CG 4.08Å; Y933-F942 AromaticContact CZ-CD1 3.95Å; Y933-F942 AromaticContact CZ-CG 3.75Å; Y933-F942 WeakPolarHBondContact OH-CD1 3.24Å; Y933-F942 WeakPolarHBondContact OH-CD2 3.43Å; Y933-F942 WeakPolarHBondContact OH-CE1 3.39Å; Y933-F942 WeakPolarHBondContact OH-CE2 3.21Å; Y933-F942 WeakPolarHBondContact OH-CG 3.28Å; D938-F942 WeakPolarHBondContact O-CB 3.49Å; D938-F942 PolarHBondContact O-N 3.26Å; I939-F942 PolarHBondContact O-N 3.5Å; F942-Y944 VanDerWaalsContact C-N 3.3Å; F942-Y944 PolarHBondContact O-N 3.35Å; F942-Y945 PolarHBondContact O-N 3.03Å; F942-Y945 VanDerWaalsContact O-N 3.15Å; F942-L946 HydrophobicContact CD1-CD1 3.66Å; F942-L946 HydrophobicContact CD1-CG 4.48Å; F942-L946 HydrophobicContact CE1-CD1 3.38Å; F942-L946 HydrophobicContact CE1-CG 4.1Å; F942-L946 HydrophobicContact CZ-CD1 4.13Å; F942-L946 HydrophobicContact CZ-CG 4.39Å; F942-L946 PolarHBondContact O-N 2.83Å; F942-L976 HydrophobicContact CD1-CD1 3.54Å; F942-L976 HydrophobicContact CE1-CD1 3.64Å
943	K	50.1	Low	46.8	Very low	16 Å²	16	74 Å²	74	7%	0.07	36%	0.357	C	S	.	.	H	α-helix	trans	-55	-46.1	169.9	-78.4	179.8	179.7	177.6	0	111	I939 N940 L946 L947 Y973	I939-K943 WeakPolarHBondContact O-CG 3.28Å; I939-K943 PolarHBondContact O-N 3.06Å; N940-K943 WeakPolarHBondContact O-CB 3.4Å; N940-K943 PolarHBondContact O-N 2.84Å; K943-L946 PolarHBondContact O-N 3.39Å; K943-L947 PolarHBondContact O-N 3.36Å; K943-Y973 HydrophobicContact CB-CD2 4.44Å; K943-Y973 HydrophobicContact CB-CE2 3.8Å; K943-Y973 HydrophobicContact CD-CE2 4.4Å; K943-Y973 HydrophobicContact CG-CD2 4.36Å; K943-Y973 HydrophobicContact CG-CE2 3.89Å
944	Y	48.1	Very low	47.9	Very low	126 Å²	126	74.8 Å²	74.8	49%	0.494	36%	0.362	S	S	.	.	H	α-helix	trans	-61.4	-42.7	175.5	176.3	-95.3	0	0	0	112.3	N940 Q941 F942 L947 K948	N940-Y944 PolarHBondContact O-N 3.28Å; Q941-Y944 WeakPolarHBondContact O-CB 3.5Å; Q941-Y944 PolarHBondContact O-N 3.09Å; F942-Y944 VanDerWaalsContact C-N 3.3Å; F942-Y944 PolarHBondContact O-N 3.35Å; Y944-L947 PolarHBondContact O-N 3.06Å; Y944-K948 HydrophobicContact CE1-CD 4.18Å; Y944-K948 WeakPolarHBondContact O-CB 3.35Å; Y944-K948 PolarHBondContact O-N 3.25Å
945	Y	50.6	Low	49	Very low	135 Å²	135	78.5 Å²	78.5	53%	0.529	37%	0.371	S	S	.	.	H	α-helix	trans	-63.6	-44.3	177.2	-171.5	-89.6	0	0	0	112.1	Q941 F942 K948 Q949	Q941-Y945 PolarHBondContact O-N 3.03Å; F942-Y945 PolarHBondContact O-N 3.03Å; F942-Y945 VanDerWaalsContact O-N 3.15Å; Y945-K948 PolarHBondContact O-N 3.14Å; Y945-Q949 WeakPolarHBondContact O-CB 3.26Å; Y945-Q949 PolarHBondContact O-N 3.3Å
946	L	51.8	Low	49.2	Very low	4 Å²	4	77.8 Å²	77.8	2%	0.021	37%	0.371	C	S	.	.	H	α-helix	trans	-57.1	-49.3	174.2	-93.1	159.6	0	0	0	111.6	F942 K943 K948 Q949 I950 L969 Y973 L976	F942-L946 HydrophobicContact CD1-CD1 3.66Å; F942-L946 HydrophobicContact CD1-CG 4.48Å; F942-L946 HydrophobicContact CE1-CD1 3.38Å; F942-L946 HydrophobicContact CE1-CG 4.1Å; F942-L946 HydrophobicContact CZ-CD1 4.13Å; F942-L946 HydrophobicContact CZ-CG 4.39Å; F942-L946 PolarHBondContact O-N 2.83Å; K943-L946 PolarHBondContact O-N 3.39Å; L946-K948 PolarHBondContact O-N 3.3Å; L946-Q949 PolarHBondContact O-N 3.42Å; L946-I950 WeakPolarHBondContact O-CG1 3.39Å; L946-I950 PolarHBondContact O-N 3.35Å; L946-L969 HydrophobicContact CD2-CB 4.1Å; L946-L969 HydrophobicContact CD2-CD2 3.5Å; L946-L969 VanDerWaalsContact CD2-CD2 3.5Å; L946-L969 HydrophobicContact CD2-CG 4.38Å; L946-Y973 HydrophobicContact CB-CD2 4.33Å; L946-L976 HydrophobicContact CD1-CD1 3.62Å
947	L	56.8	Low	49.4	Very low	59 Å²	59	82.1 Å²	82.1	31%	0.309	38%	0.381	S	S	.	.	H	α-helix	trans	-58.4	-45.9	175.5	-95	149.2	0	0	0	112.1	K943 Y944 Q949 I950 H951 Y973	K943-L947 PolarHBondContact O-N 3.36Å; Y944-L947 PolarHBondContact O-N 3.06Å; L947-Q949 VanDerWaalsContact C-N 3.3Å; L947-Q949 PolarHBondContact O-N 3.38Å; L947-I950 PolarHBondContact O-N 3.21Å; L947-H951 WeakPolarHBondContact O-CB 3.42Å; L947-H951 PolarHBondContact O-N 2.92Å; L947-Y973 HydrophobicContact CD1-CE2 3.64Å; L947-Y973 HydrophobicContact CG-CE2 4.15Å
948	K	51	Low	49.1	Very low	128 Å²	128	86.8 Å²	86.8	56%	0.557	40%	0.397	S	S	*	.	H	α-helix	trans	-62.6	-37.9	177.5	-169.2	174.5	-177.3	173.7	0	111.8	Y944 Y945 L946 H952	Y944-K948 HydrophobicContact CE1-CD 4.18Å; Y944-K948 WeakPolarHBondContact O-CB 3.35Å; Y944-K948 PolarHBondContact O-N 3.25Å; Y945-K948 PolarHBondContact O-N 3.14Å; L946-K948 PolarHBondContact O-N 3.3Å; K948-H952 WeakPolarHBondContact O-CB 3.33Å; K948-H952 PolarHBondContact O-N 3.05Å
949	Q	55.3	Low	49.3	Very low	78 Å²	78	89.7 Å²	89.7	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-70.9	-42.5	178.9	-154.7	174.1	11.3	0	0	111.7	Y945 L946 L947 H951 H952 L953 L969	Y945-Q949 WeakPolarHBondContact O-CB 3.26Å; Y945-Q949 PolarHBondContact O-N 3.3Å; L946-Q949 PolarHBondContact O-N 3.42Å; L947-Q949 VanDerWaalsContact C-N 3.3Å; L947-Q949 PolarHBondContact O-N 3.38Å; Q949-H951 VanDerWaalsContact C-N 3.33Å; Q949-H951 PolarHBondContact O-N 3.22Å; Q949-H952 PolarHBondContact O-N 2.9Å; Q949-L953 WeakPolarHBondContact O-CB 3.44Å; Q949-L953 WeakPolarHBondContact O-CG 3.32Å; Q949-L953 PolarHBondContact O-N 2.83Å; Q949-L969 HydrophobicContact CB-CD1 4.47Å; Q949-L969 HydrophobicContact CG-CD1 4.3Å
950	I	59.9	Low	49.6	Very low	12 Å²	12	95.4 Å²	95.4	6%	0.062	44%	0.444	C	S	.	.	H	α-helix	trans	-58.1	-46.9	172.3	-69.4	166.1	0	0	0	110.3	L946 L947 H952 L953 K954 I966 L969 K970	L946-I950 WeakPolarHBondContact O-CG1 3.39Å; L946-I950 PolarHBondContact O-N 3.35Å; L947-I950 PolarHBondContact O-N 3.21Å; I950-H952 PolarHBondContact O-N 3.43Å; I950-L953 PolarHBondContact O-N 3.44Å; I950-K954 PolarHBondContact O-N 2.88Å; I950-I966 HydrophobicContact CG2-CG2 4.2Å; I950-L969 HydrophobicContact CD1-CB 4.01Å; I950-L969 HydrophobicContact CG1-CB 3.66Å; I950-L969 HydrophobicContact CG1-CD1 4.18Å; I950-K970 HydrophobicContact CD1-CG 4.26Å
951	H	52.8	Low	49.6	Very low	90 Å²	90	98.5 Å²	98.5	42%	0.417	46%	0.455	S	S	.	.	H	α-helix	trans	-64.7	-38.8	178.5	-170.8	-72.3	0	0	0	112.1	L947 Q949 K954 R955	L947-H951 WeakPolarHBondContact O-CB 3.42Å; L947-H951 PolarHBondContact O-N 2.92Å; Q949-H951 VanDerWaalsContact C-N 3.33Å; Q949-H951 PolarHBondContact O-N 3.22Å; H951-K954 PolarHBondContact O-N 3.5Å; H951-R955 PolarHBondContact CE1-NE 3.3Å; H951-R955 PolarHBondContact O-N 2.83Å
952	H	52	Low	49.8	Very low	143 Å²	143	94.5 Å²	94.5	66%	0.662	44%	0.438	S	S	*	.	H	α-helix	trans	-68	-38.9	177.8	-161.1	2.7	0	0	0	112.3	K948 Q949 I950 R955 G956	K948-H952 WeakPolarHBondContact O-CB 3.33Å; K948-H952 PolarHBondContact O-N 3.05Å; Q949-H952 PolarHBondContact O-N 2.9Å; I950-H952 PolarHBondContact O-N 3.43Å; H952-R955 PolarHBondContact O-N 3.44Å; H952-G956 PolarHBondContact O-N 2.82Å
953	L	53	Low	50.3	Low	42 Å²	42	99 Å²	99	22%	0.22	46%	0.457	C	S	.	.	H	α-helix	trans	-68.4	-34.6	176.9	-72.9	170.3	0	0	0	112.6	Q949 I950 G956 N965 I966 L969	Q949-L953 WeakPolarHBondContact O-CB 3.44Å; Q949-L953 WeakPolarHBondContact O-CG 3.32Å; Q949-L953 PolarHBondContact O-N 2.83Å; I950-L953 PolarHBondContact O-N 3.44Å; L953-G956 PolarHBondContact O-N 3.4Å; L953-N965 HydrophobicContact CD1-CB 4.27Å; L953-I966 HydrophobicContact CB-CD1 4.12Å; L953-I966 HydrophobicContact CB-CG1 3.91Å; L953-I966 HydrophobicContact CD1-CG1 4.38Å; L953-L969 HydrophobicContact CD1-CD1 3.51Å
954	K	55.4	Low	50.9	Low	71 Å²	71	103.3 Å²	103.3	31%	0.309	48%	0.481	S	S	.	.	H	α-helix	trans	-64.4	-35.4	172.1	-82.5	-168.9	173	-168	0	113	I950 H951 G956 I966 I994	I950-K954 PolarHBondContact O-N 2.88Å; H951-K954 PolarHBondContact O-N 3.5Å; K954-G956 VanDerWaalsContact C-N 3.34Å; K954-I966 HydrophobicContact CG-CD1 3.91Å; K954-I994 PolarHBondContact NZ-O 3.25Å
955	R	52.6	Low	51.4	Low	195 Å²	195	100.3 Å²	100.3	74%	0.736	47%	0.474	S	S	*	.	H	α-helix	trans	-74.4	-21.2	177.2	-77.1	-166.9	176.1	-179.5	2.8	113.8	H951 H952	H951-R955 PolarHBondContact CE1-NE 3.3Å; H951-R955 PolarHBondContact O-N 2.83Å; H952-R955 PolarHBondContact O-N 3.44Å
956	G	41.9	Very low	52	Low	32 Å²	32	95 Å²	95	33%	0.33	45%	0.454	S	S	.	.	S	Bend	trans	-75.6	123.7	173.3	0	0	0	0	0	109.9	H952 L953 K954 F958	H952-G956 PolarHBondContact O-N 2.82Å; L953-G956 PolarHBondContact O-N 3.4Å; K954-G956 VanDerWaalsContact C-N 3.34Å; G956-F958 PolarHBondContact O-N 3.21Å
957	Q	42.3	Very low	52.8	Low	178 Å²	178	100 Å²	100	83%	0.832	48%	0.477	S	S	*	.			trans	-34.2	129.1	-178	-72.2	177	-17.7	0	0	112.8	N959	Q957-N959 PolarHBondContact O-N 3.36Å
958	F	35.3	Very low	53.2	Low	195 Å²	195	98.4 Å²	98.4	86%	0.855	47%	0.471	S	S	*	.			trans	-55.2	85.5	-170.9	-75.4	-88	0	0	0	113.4	G956	G956-F958 PolarHBondContact O-N 3.21Å
959	N	43.1	Very low	53.7	Low	112 Å²	112	93.4 Å²	93.4	60%	0.599	45%	0.45	S	S	*	.			trans	-94.7	135.4	162.4	-75.7	-18.2	0	0	0	108.6	Q957 H961 N962	Q957-N959 PolarHBondContact O-N 3.36Å; N959-H961 PolarHBondContact O-N 3.15Å; N959-N962 WeakPolarHBondContact O-CB 3.29Å; N959-N962 PolarHBondContact O-N 2.85Å
960	N	50.4	Low	54.2	Low	142 Å²	142	92.9 Å²	92.9	76%	0.759	45%	0.447	S	S	*	.	H	α-helix	trans	-51	-28.3	179.5	-81.6	-20.2	0	0	0	113.5	N962 K963	N960-N962 VanDerWaalsContact C-N 3.33Å; N960-N962 PolarHBondContact O-N 2.96Å; N960-K963 WeakPolarHBondContact O-CB 3.23Å; N960-K963 PolarHBondContact O-N 3.42Å
961	H	45.6	Very low	54.5	Low	148 Å²	148	97 Å²	97	69%	0.685	47%	0.469	S	S	*	.	H	α-helix	trans	-61.1	-32.9	172.6	-88.5	-59.8	0	0	0	114.6	N959 K963	N959-H961 PolarHBondContact O-N 3.15Å; H961-K963 VanDerWaalsContact C-N 3.29Å; H961-K963 PolarHBondContact O-N 2.74Å
962	N	50.6	Low	54.8	Low	37 Å²	37	93.6 Å²	93.6	20%	0.198	45%	0.454	C	S	.	.	H	α-helix	trans	-69.8	-28.6	177.1	-73	-11.1	0	0	0	111.6	N959 N960 N965 I966	N959-N962 WeakPolarHBondContact O-CB 3.29Å; N959-N962 PolarHBondContact O-N 2.85Å; N960-N962 VanDerWaalsContact C-N 3.33Å; N960-N962 PolarHBondContact O-N 2.96Å; N962-N965 PolarHBondContact O-N 3.37Å; N962-I966 WeakPolarHBondContact O-CB 3.26Å; N962-I966 WeakPolarHBondContact O-CD1 3.43Å; N962-I966 WeakPolarHBondContact O-CG1 3.36Å; N962-I966 PolarHBondContact O-N 3.46Å
963	K	57.9	Low	55.6	Low	136 Å²	136	88.5 Å²	88.5	59%	0.591	43%	0.43	S	S	*	.	H	α-helix	trans	-65.2	-47	-178	-154.4	177.1	-177.8	-177.1	0	111.5	N960 H961 N965 I966 E967	N960-K963 WeakPolarHBondContact O-CB 3.23Å; N960-K963 PolarHBondContact O-N 3.42Å; H961-K963 VanDerWaalsContact C-N 3.29Å; H961-K963 PolarHBondContact O-N 2.74Å; K963-N965 VanDerWaalsContact C-N 3.34Å; K963-N965 PolarHBondContact O-N 3.2Å; K963-I966 PolarHBondContact O-N 3.28Å; K963-E967 PolarHBondContact O-N 3.22Å
964	N	61.9	Low	55.9	Low	106 Å²	106	89 Å²	89	57%	0.567	44%	0.435	S	S	*	.	H	α-helix	trans	-64.1	-37.5	176.5	-65.4	2.8	0	0	0	112.2	E967 S968	N964-E967 PolarHBondContact O-N 3.24Å; N964-S968 PolarHBondContact O-N 2.71Å
965	N	59.8	Low	56	Low	64 Å²	64	89.9 Å²	89.9	34%	0.342	44%	0.443	S	S	.	.	H	α-helix	trans	-68.1	-35.5	175.6	-73.1	-19.5	0	0	0	112.4	L953 N962 K963 S968 L969	L953-N965 HydrophobicContact CD1-CB 4.27Å; N962-N965 PolarHBondContact O-N 3.37Å; K963-N965 VanDerWaalsContact C-N 3.34Å; K963-N965 PolarHBondContact O-N 3.2Å; N965-S968 PolarHBondContact O-OG 2.82Å; N965-S968 VanDerWaalsContact O-OG 3.09Å; N965-L969 WeakPolarHBondContact O-CB 3.34Å; N965-L969 WeakPolarHBondContact O-CD1 3.47Å; N965-L969 VanDerWaalsContact O-CG 3.22Å; N965-L969 WeakPolarHBondContact O-CG 3.32Å; N965-L969 PolarHBondContact O-N 3.09Å; N965-L969 VanDerWaalsContact O-N 3.11Å
966	I	63.3	Low	56	Low	23 Å²	23	81.3 Å²	81.3	12%	0.118	41%	0.411	C	S	.	.	H	α-helix	trans	-68.6	-41.7	176.2	-71.4	162.7	0	0	0	110.3	I950 L953 K954 N962 K963 L969 K970	I950-I966 HydrophobicContact CG2-CG2 4.2Å; L953-I966 HydrophobicContact CB-CD1 4.12Å; L953-I966 HydrophobicContact CB-CG1 3.91Å; L953-I966 HydrophobicContact CD1-CG1 4.38Å; K954-I966 HydrophobicContact CG-CD1 3.91Å; N962-I966 WeakPolarHBondContact O-CB 3.26Å; N962-I966 WeakPolarHBondContact O-CD1 3.43Å; N962-I966 WeakPolarHBondContact O-CG1 3.36Å; N962-I966 PolarHBondContact O-N 3.46Å; K963-I966 PolarHBondContact O-N 3.28Å; I966-L969 PolarHBondContact O-N 2.89Å; I966-K970 HydrophobicContact CG2-CD 4.33Å; I966-K970 HydrophobicContact CG2-CG 4.47Å; I966-K970 WeakPolarHBondContact O-CB 3.41Å; I966-K970 VanDerWaalsContact O-CG 3.32Å; I966-K970 WeakPolarHBondContact O-CG 3.38Å; I966-K970 PolarHBondContact O-N 3.06Å
967	E	68.7	Low	56.4	Low	109 Å²	109	81.4 Å²	81.4	51%	0.509	40%	0.403	S	S	.	.	H	α-helix	trans	-62.5	-44.7	175.6	-79.9	179.3	-179.9	0	0	112.1	K963 N964 L969 K970 D971	K963-E967 PolarHBondContact O-N 3.22Å; N964-E967 PolarHBondContact O-N 3.24Å; E967-L969 VanDerWaalsContact C-N 3.35Å; E967-L969 PolarHBondContact O-N 3.49Å; E967-K970 WeakPolarHBondContact O-CB 3.34Å; E967-K970 PolarHBondContact O-N 2.97Å; E967-K970 VanDerWaalsContact O-N 3.17Å; E967-D971 PolarHBondContact O-N 3.47Å
968	S	65	Low	56.5	Low	26 Å²	26	78.7 Å²	78.7	18%	0.182	39%	0.394	C	S	.	.	H	α-helix	trans	-65.7	-34.7	177.6	71.3	0	0	0	0	113.5	N964 N965 T972	N964-S968 PolarHBondContact O-N 2.71Å; N965-S968 PolarHBondContact O-OG 2.82Å; N965-S968 VanDerWaalsContact O-OG 3.09Å; S968-T972 PolarHBondContact O-N 3.48Å; S968-T972 PolarHBondContact O-OG1 3.11Å
969	L	60.8	Low	56.7	Low	23 Å²	23	75 Å²	75	12%	0.12	38%	0.383	C	S	.	.	H	α-helix	trans	-69.8	-36.7	173.1	-70.1	169.4	0	0	0	112	L946 Q949 I950 L953 N965 I966 E967 T972 Y973	L946-L969 HydrophobicContact CD2-CB 4.1Å; L946-L969 HydrophobicContact CD2-CD2 3.5Å; L946-L969 VanDerWaalsContact CD2-CD2 3.5Å; L946-L969 HydrophobicContact CD2-CG 4.38Å; Q949-L969 HydrophobicContact CB-CD1 4.47Å; Q949-L969 HydrophobicContact CG-CD1 4.3Å; I950-L969 HydrophobicContact CD1-CB 4.01Å; I950-L969 HydrophobicContact CG1-CB 3.66Å; I950-L969 HydrophobicContact CG1-CD1 4.18Å; L953-L969 HydrophobicContact CD1-CD1 3.51Å; N965-L969 WeakPolarHBondContact O-CB 3.34Å; N965-L969 WeakPolarHBondContact O-CD1 3.47Å; N965-L969 VanDerWaalsContact O-CG 3.22Å; N965-L969 WeakPolarHBondContact O-CG 3.32Å; N965-L969 PolarHBondContact O-N 3.09Å; N965-L969 VanDerWaalsContact O-N 3.11Å; I966-L969 PolarHBondContact O-N 2.89Å; E967-L969 VanDerWaalsContact C-N 3.35Å; E967-L969 PolarHBondContact O-N 3.49Å; L969-T972 VanDerWaalsContact CA-OG1 3.25Å; L969-T972 WeakPolarHBondContact CA-OG1 3.43Å; L969-T972 PolarHBondContact O-N 3.34Å; L969-T972 PolarHBondContact O-OG1 3.32Å; L969-Y973 PolarHBondContact O-N 3.09Å
970	K	66.4	Low	56.8	Low	66 Å²	66	76.3 Å²	76.3	29%	0.287	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-46	172.3	-78.2	-179.9	174.5	-163.7	0	111	I950 I966 E967 T972 Y973 T974	I950-K970 HydrophobicContact CD1-CG 4.26Å; I966-K970 HydrophobicContact CG2-CD 4.33Å; I966-K970 HydrophobicContact CG2-CG 4.47Å; I966-K970 WeakPolarHBondContact O-CB 3.41Å; I966-K970 VanDerWaalsContact O-CG 3.32Å; I966-K970 WeakPolarHBondContact O-CG 3.38Å; I966-K970 PolarHBondContact O-N 3.06Å; E967-K970 WeakPolarHBondContact O-CB 3.34Å; E967-K970 PolarHBondContact O-N 2.97Å; E967-K970 VanDerWaalsContact O-N 3.17Å; K970-T972 VanDerWaalsContact C-N 3.3Å; K970-T972 PolarHBondContact O-N 3.29Å; K970-Y973 WeakPolarHBondContact O-CB 3.4Å; K970-Y973 PolarHBondContact O-N 2.74Å; K970-Y973 VanDerWaalsContact O-N 3.13Å; K970-T974 WeakPolarHBondContact O-CG2 3.48Å; K970-T974 PolarHBondContact O-N 3.24Å; K970-T974 PolarHBondContact O-OG1 3.49Å
971	D	66.1	Low	56.2	Low	98 Å²	98	75 Å²	75	52%	0.524	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-35.3	177.9	-74.1	-14.6	0	0	0	112.6	E967 T974 N975	E967-D971 PolarHBondContact O-N 3.47Å; D971-T974 WeakPolarHBondContact CA-OG1 3.24Å; D971-T974 PolarHBondContact O-OG1 3.34Å; D971-N975 VanDerWaalsContact O-CB 3.28Å; D971-N975 WeakPolarHBondContact O-CB 3.45Å; D971-N975 VanDerWaalsContact O-CG 3.28Å; D971-N975 PolarHBondContact O-N 2.96Å; D971-N975 PolarHBondContact O-ND2 3.25Å
972	T	59.7	Low	55.3	Low	19 Å²	19	73.8 Å²	73.8	12%	0.117	38%	0.375	C	S	.	.	H	α-helix	trans	-70.9	-37.2	174	30.5	0	0	0	0	112.1	T928 S968 L969 K970 L976	T928-T972 HydrophobicContact CG2-CG2 4.04Å; S968-T972 PolarHBondContact O-N 3.48Å; S968-T972 PolarHBondContact O-OG1 3.11Å; L969-T972 VanDerWaalsContact CA-OG1 3.25Å; L969-T972 WeakPolarHBondContact CA-OG1 3.43Å; L969-T972 PolarHBondContact O-N 3.34Å; L969-T972 PolarHBondContact O-OG1 3.32Å; K970-T972 VanDerWaalsContact C-N 3.3Å; K970-T972 PolarHBondContact O-N 3.29Å; T972-L976 WeakPolarHBondContact O-CB 3.46Å; T972-L976 WeakPolarHBondContact O-CG 3.35Å; T972-L976 PolarHBondContact O-N 3.36Å
973	Y	67.8	Low	54.2	Low	36 Å²	36	76.7 Å²	76.7	14%	0.141	40%	0.397	C	S	.	.	H	α-helix	trans	-64.2	-47	173.8	-173.8	-87.9	0	0	0	112.2	K943 L946 L947 L969 K970 L976 H977 L990	K943-Y973 HydrophobicContact CB-CD2 4.44Å; K943-Y973 HydrophobicContact CB-CE2 3.8Å; K943-Y973 HydrophobicContact CD-CE2 4.4Å; K943-Y973 HydrophobicContact CG-CD2 4.36Å; K943-Y973 HydrophobicContact CG-CE2 3.89Å; L946-Y973 HydrophobicContact CB-CD2 4.33Å; L947-Y973 HydrophobicContact CD1-CE2 3.64Å; L947-Y973 HydrophobicContact CG-CE2 4.15Å; L969-Y973 PolarHBondContact O-N 3.09Å; K970-Y973 WeakPolarHBondContact O-CB 3.4Å; K970-Y973 PolarHBondContact O-N 2.74Å; K970-Y973 VanDerWaalsContact O-N 3.13Å; Y973-L976 PolarHBondContact O-N 2.76Å; Y973-H977 WeakPolarHBondContact O-CB 3.44Å; Y973-H977 PolarHBondContact O-N 3.4Å; Y973-L990 HydrophobicContact CD1-CD1 4.25Å; Y973-L990 HydrophobicContact CD1-CD2 4.13Å; Y973-L990 HydrophobicContact CE1-CD1 3.97Å; Y973-L990 HydrophobicContact CE1-CD2 3.84Å; Y973-L990 HydrophobicContact CE1-CG 4.32Å
974	T	59.2	Low	52.9	Low	53 Å²	53	77.9 Å²	77.9	33%	0.325	41%	0.41	S	S	.	.	H	α-helix	trans	-63.7	-42	178.6	55.1	0	0	0	0	111.5	K970 D971 L976 H977 L978	K970-T974 WeakPolarHBondContact O-CG2 3.48Å; K970-T974 PolarHBondContact O-N 3.24Å; K970-T974 PolarHBondContact O-OG1 3.49Å; D971-T974 WeakPolarHBondContact CA-OG1 3.24Å; D971-T974 PolarHBondContact O-OG1 3.34Å; T974-L976 PolarHBondContact O-N 3.13Å; T974-H977 PolarHBondContact O-N 3.02Å; T974-L978 WeakPolarHBondContact O-CG 3.49Å; T974-L978 PolarHBondContact O-N 3.38Å
975	N	57.2	Low	51.3	Low	89 Å²	89	79.5 Å²	79.5	48%	0.476	41%	0.414	S	S	.	.	H	α-helix	trans	-62.7	-38.9	174.3	-81.1	-50.3	0	0	0	113	D971 H977 N979	D971-N975 VanDerWaalsContact O-CB 3.28Å; D971-N975 WeakPolarHBondContact O-CB 3.45Å; D971-N975 VanDerWaalsContact O-CG 3.28Å; D971-N975 PolarHBondContact O-N 2.96Å; D971-N975 PolarHBondContact O-ND2 3.25Å; N975-H977 VanDerWaalsContact C-N 3.34Å; N975-N979 WeakPolarHBondContact O-CB 3.48Å; N975-N979 PolarHBondContact O-N 3.4Å; N975-N979 PolarHBondContact O-ND2 2.93Å
976	L	52.8	Low	49.9	Very low	15 Å²	15	80.7 Å²	80.7	8%	0.079	42%	0.424	C	S	.	.	H	α-helix	trans	-67.3	-35.6	174.1	-81.8	164.3	0	0	0	112.2	F942 L946 T972 Y973 T974 Y980	F942-L976 HydrophobicContact CD1-CD1 3.54Å; F942-L976 HydrophobicContact CE1-CD1 3.64Å; L946-L976 HydrophobicContact CD1-CD1 3.62Å; T972-L976 WeakPolarHBondContact O-CB 3.46Å; T972-L976 WeakPolarHBondContact O-CG 3.35Å; T972-L976 PolarHBondContact O-N 3.36Å; Y973-L976 PolarHBondContact O-N 2.76Å; T974-L976 PolarHBondContact O-N 3.13Å; L976-Y980 HydrophobicContact CD2-CD2 4.42Å; L976-Y980 HydrophobicContact CD2-CE2 4.29Å; L976-Y980 WeakPolarHBondContact O-CD2 3.36Å
977	H	49.6	Very low	48.4	Very low	35 Å²	35	85.9 Å²	85.9	16%	0.162	45%	0.45	C	S	.	.	H	α-helix	trans	-67.9	-50	177.5	-167.5	90	0	0	0	111	Y973 T974 N975 N979 Y980 Q981 E985	Y973-H977 WeakPolarHBondContact O-CB 3.44Å; Y973-H977 PolarHBondContact O-N 3.4Å; T974-H977 PolarHBondContact O-N 3.02Å; N975-H977 VanDerWaalsContact C-N 3.34Å; H977-N979 VanDerWaalsContact C-N 3.35Å; H977-N979 PolarHBondContact O-N 3.17Å; H977-Y980 PolarHBondContact O-N 3.42Å; H977-Q981 PolarHBondContact O-N 3.15Å; H977-E985 IonicContact CE1-OE2 2.79Å
978	L	44.4	Very low	46.7	Very low	120 Å²	120	86.1 Å²	86.1	63%	0.628	46%	0.455	S	S	*	.	H	α-helix	trans	-61.2	-37.1	179.8	-72.5	168.8	0	0	0	113.6	T974	T974-L978 WeakPolarHBondContact O-CG 3.49Å; T974-L978 PolarHBondContact O-N 3.38Å
979	N	40.9	Very low	45.4	Very low	119 Å²	119	89.2 Å²	89.2	64%	0.636	47%	0.47	S	S	*	.	H	α-helix	trans	-78.6	-20.1	-175.5	-77.1	-44.8	0	0	0	114.6	N975 H977	N975-N979 WeakPolarHBondContact O-CB 3.48Å; N975-N979 PolarHBondContact O-N 3.4Å; N975-N979 PolarHBondContact O-ND2 2.93Å; H977-N979 VanDerWaalsContact C-N 3.35Å; H977-N979 PolarHBondContact O-N 3.17Å
980	Y	44.3	Very low	44.2	Very low	139 Å²	139	90 Å²	90	55%	0.545	47%	0.474	S	S	.	.	H	α-helix	trans	-124.4	-13.6	-166.5	-70.1	-81.1	0	0	0	115.9	I939 L976 H977	I939-Y980 HydrophobicContact CD1-CD1 3.87Å; I939-Y980 HydrophobicContact CD1-CE1 4.08Å; I939-Y980 HydrophobicContact CD1-CG 4.13Å; L976-Y980 HydrophobicContact CD2-CD2 4.42Å; L976-Y980 HydrophobicContact CD2-CE2 4.29Å; L976-Y980 WeakPolarHBondContact O-CD2 3.36Å; H977-Y980 PolarHBondContact O-N 3.42Å
981	Q	38.1	Very low	42.8	Very low	113 Å²	113	91 Å²	91	53%	0.528	48%	0.482	S	S	.	.			trans	-148.3	99.8	169.5	-83.5	-178.9	-54.6	0	0	111.5	H977 C983	H977-Q981 PolarHBondContact O-N 3.15Å; Q981-C983 VanDerWaalsContact C-N 3.35Å; Q981-C983 PolarHBondContact O-N 3.47Å
982	P	27.5	Very low	41.6	Very low	123 Å²	123	90 Å²	90	80%	0.799	48%	0.48	S	S	*	.			trans	-87.6	79.2	169	34.8	-27.6	0	0	0	108.2
983	C	27.8	Very low	40.6	Very low	98 Å²	98	93.2 Å²	93.2	66%	0.662	50%	0.496	S	S	*	.	S	Bend	trans	-126.4	133.7	162.5	-72.6	0	0	0	0	106.1	Q981 E985	Q981-C983 VanDerWaalsContact C-N 3.35Å; Q981-C983 PolarHBondContact O-N 3.47Å; C983-E985 PolarHBondContact O-N 2.85Å
984	N	28.9	Very low	39.2	Very low	161 Å²	161	92.7 Å²	92.7	86%	0.861	50%	0.495	S	S	*	.			trans	-63.3	62.2	-165.8	-70.4	-17.3	0	0	0	114.3	T986	N984-T986 PolarHBondContact O-N 2.98Å
985	E	28.4	Very low	38.3	Very low	140 Å²	140	95.3 Å²	95.3	65%	0.654	51%	0.507	S	S	*	.			trans	-78.9	105.4	159.2	-71.2	-178	172.6	0	0	106.9	H977 C983 I987	H977-E985 IonicContact CE1-OE2 2.79Å; C983-E985 PolarHBondContact O-N 2.85Å; E985-I987 PolarHBondContact O-N 3.39Å
986	T	30	Very low	37.2	Very low	89 Å²	89	96.3 Å²	96.3	55%	0.546	51%	0.512	S	S	.	.			trans	-59.1	129.4	177.2	42.8	0	0	0	0	110.2	N984 N988 D989	N984-T986 PolarHBondContact O-N 2.98Å; T986-N988 PolarHBondContact O-N 3.18Å; T986-D989 PolarHBondContact O-N 2.92Å
987	I	31.8	Very low	36.4	Very low	132 Å²	132	101.8 Å²	101.8	68%	0.677	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	-21.1	177.2	-67.9	166.7	0	0	0	113.5	E985 D989 L990	E985-I987 PolarHBondContact O-N 3.39Å; I987-D989 VanDerWaalsContact C-N 3.28Å; I987-D989 PolarHBondContact O-N 2.98Å; I987-L990 WeakPolarHBondContact O-CB 3.44Å; I987-L990 PolarHBondContact O-N 3.14Å; I987-L990 VanDerWaalsContact O-N 3.16Å
988	N	34.9	Very low	35.3	Very low	115 Å²	115	108.3 Å²	108.3	62%	0.615	57%	0.572	S	S	*	*	H	α-helix	trans	-61.3	-26.9	176.9	-65.6	-6.2	0	0	0	114.6	T986 L990 T992	T986-N988 PolarHBondContact O-N 3.18Å; N988-L990 VanDerWaalsContact C-N 3.3Å; N988-L990 PolarHBondContact O-N 2.82Å; N988-T992 PolarHBondContact O-N 3.43Å
989	D	36.9	Very low	34.5	Very low	90 Å²	90	109 Å²	109	48%	0.481	57%	0.57	S	S	.	*	H	α-helix	trans	-73.4	-23.6	177.6	-72.4	-26.2	0	0	0	112.3	T986 I987 T992 I993	T986-D989 PolarHBondContact O-N 2.92Å; I987-D989 VanDerWaalsContact C-N 3.28Å; I987-D989 PolarHBondContact O-N 2.98Å; D989-T992 WeakPolarHBondContact CA-OG1 3.3Å; D989-T992 PolarHBondContact O-OG1 2.69Å; D989-I993 VanDerWaalsContact O-CB 3.31Å; D989-I993 WeakPolarHBondContact O-CB 3.28Å; D989-I993 VanDerWaalsContact O-CD1 3.24Å; D989-I993 WeakPolarHBondContact O-CD1 3.47Å; D989-I993 WeakPolarHBondContact O-CG1 3.34Å; D989-I993 PolarHBondContact O-N 2.89Å
990	L	35.3	Very low	33.8	Very low	41 Å²	41	111.4 Å²	111.4	22%	0.215	58%	0.577	C	S	.	*	H	α-helix	trans	-69	-40.9	175.9	-107.4	155.5	0	0	0	111.7	Y973 I987 N988 T992 I993 I994	Y973-L990 HydrophobicContact CD1-CD1 4.25Å; Y973-L990 HydrophobicContact CD1-CD2 4.13Å; Y973-L990 HydrophobicContact CE1-CD1 3.97Å; Y973-L990 HydrophobicContact CE1-CD2 3.84Å; Y973-L990 HydrophobicContact CE1-CG 4.32Å; I987-L990 WeakPolarHBondContact O-CB 3.44Å; I987-L990 PolarHBondContact O-N 3.14Å; I987-L990 VanDerWaalsContact O-N 3.16Å; N988-L990 VanDerWaalsContact C-N 3.3Å; N988-L990 PolarHBondContact O-N 2.82Å; L990-T992 VanDerWaalsContact C-N 3.35Å; L990-I993 PolarHBondContact O-N 3.25Å; L990-I994 HydrophobicContact CD2-CD1 3.62Å; L990-I994 HydrophobicContact CD2-CG1 4.36Å; L990-I994 VanDerWaalsContact O-CB 3.23Å; L990-I994 WeakPolarHBondContact O-CB 3.3Å; L990-I994 WeakPolarHBondContact O-CD1 3.34Å; L990-I994 WeakPolarHBondContact O-CG1 3.45Å; L990-I994 PolarHBondContact O-N 3.16Å
991	D	37.9	Very low	33	Very low	85 Å²	85	111.7 Å²	111.7	46%	0.455	58%	0.578	S	S	.	*	H	α-helix	trans	-70	-32.6	178.2	-81.2	-27.4	0	0	0	112	N995	D991-N995 VanDerWaalsContact O-CB 3.29Å; D991-N995 WeakPolarHBondContact O-CB 3.46Å; D991-N995 PolarHBondContact O-N 2.94Å; D991-N995 PolarHBondContact O-ND2 2.66Å; D991-N995 VanDerWaalsContact O-ND2 3.07Å
992	T	41	Very low	32.4	Very low	78 Å²	78	112.9 Å²	112.9	48%	0.479	59%	0.588	S	S	.	*	H	α-helix	trans	-73.7	-37.9	174	56.8	0	0	0	0	112.4	N988 D989 L990 I994 N996	N988-T992 PolarHBondContact O-N 3.43Å; D989-T992 WeakPolarHBondContact CA-OG1 3.3Å; D989-T992 PolarHBondContact O-OG1 2.69Å; L990-T992 VanDerWaalsContact C-N 3.35Å; T992-I994 VanDerWaalsContact C-N 3.34Å; T992-N996 PolarHBondContact O-ND2 3.18Å
993	I	37.1	Very low	32.4	Very low	87 Å²	87	115.4 Å²	115.4	45%	0.446	59%	0.587	S	S	.	*	H	α-helix	trans	-67.1	-34.5	175.1	-68.5	164.1	0	0	0	111.4	D989 L990 F999	D989-I993 VanDerWaalsContact O-CB 3.31Å; D989-I993 WeakPolarHBondContact O-CB 3.28Å; D989-I993 VanDerWaalsContact O-CD1 3.24Å; D989-I993 WeakPolarHBondContact O-CD1 3.47Å; D989-I993 WeakPolarHBondContact O-CG1 3.34Å; D989-I993 PolarHBondContact O-N 2.89Å; L990-I993 PolarHBondContact O-N 3.25Å; I993-F999 HydrophobicContact CG2-CE2 4.43Å
994	I	38.6	Very low	32.3	Very low	25 Å²	25	113 Å²	113	13%	0.128	57%	0.571	C	S	.	*	H	α-helix	trans	-83	-21.9	-176.5	-71.3	170.5	0	0	0	113.3	K954 L990 T992	K954-I994 PolarHBondContact NZ-O 3.25Å; L990-I994 HydrophobicContact CD2-CD1 3.62Å; L990-I994 HydrophobicContact CD2-CG1 4.36Å; L990-I994 VanDerWaalsContact O-CB 3.23Å; L990-I994 WeakPolarHBondContact O-CB 3.3Å; L990-I994 WeakPolarHBondContact O-CD1 3.34Å; L990-I994 WeakPolarHBondContact O-CG1 3.45Å; L990-I994 PolarHBondContact O-N 3.16Å; T992-I994 VanDerWaalsContact C-N 3.34Å
995	N	41.2	Very low	32.1	Very low	107 Å²	107	109.7 Å²	109.7	57%	0.572	55%	0.552	S	S	*	*	H	α-helix	trans	-96.1	-8.7	-177.3	-70.3	-21.6	0	0	0	114.4	D991 D997	D991-N995 VanDerWaalsContact O-CB 3.29Å; D991-N995 WeakPolarHBondContact O-CB 3.46Å; D991-N995 PolarHBondContact O-N 2.94Å; D991-N995 PolarHBondContact O-ND2 2.66Å; D991-N995 VanDerWaalsContact O-ND2 3.07Å; N995-D997 PolarHBondContact O-N 3.47Å
996	N	34.3	Very low	32	Very low	111 Å²	111	108.1 Å²	108.1	59%	0.594	55%	0.545	S	S	*	.			trans	-87.1	101	175	-77.1	-25	0	0	0	110.9	T992 H998	T992-N996 PolarHBondContact O-ND2 3.18Å; N996-H998 PolarHBondContact O-N 2.87Å; N996-H998 VanDerWaalsContact O-N 3.11Å
997	D	35.1	Very low	31.8	Very low	129 Å²	129	107.9 Å²	107.9	69%	0.69	54%	0.543	S	S	*	.	S	Bend	trans	-67.9	-3	177	-77.9	-30.1	0	0	0	114.2	N995	N995-D997 PolarHBondContact O-N 3.47Å
998	H	27.8	Very low	31.5	Very low	172 Å²	172	108.1 Å²	108.1	80%	0.796	55%	0.545	S	S	*	.			trans	-119.5	75.5	-177.9	-70.8	-47	0	0	0	112.4	N996	N996-H998 PolarHBondContact O-N 2.87Å; N996-H998 VanDerWaalsContact O-N 3.11Å
999	F	26	Very low	31.1	Very low	134 Å²	134	108.3 Å²	108.3	59%	0.588	55%	0.547	S	S	*	.			trans	-89	104.8	173.6	-141.7	-88.6	0	0	0	110.6	I993	I993-F999 HydrophobicContact CG2-CE2 4.43Å
1000	H	26.6	Very low	30.5	Very low	171 Å²	171	111.3 Å²	111.3	79%	0.792	56%	0.555	S	S	*	*			trans	-92.4	119.4	169.4	-90.3	-78.8	0	0	0	110.1	D1002	H1000-D1002 PolarHBondContact O-N 2.82Å
1001	Y	27.9	Very low	29.9	Very low	145 Å²	145	119.6 Å²	119.6	57%	0.569	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-17.5	-160.9	-160.4	-104.6	0	0	0	115.7
1002	D	25.9	Very low	29.1	Very low	138 Å²	138	125.9 Å²	125.9	74%	0.738	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-23	-164.6	-68.4	-30.5	0	0	0	116.4	H1000	H1000-D1002 PolarHBondContact O-N 2.82Å
1003	K	26.9	Very low	28.3	Very low	176 Å²	176	127.5 Å²	127.5	77%	0.765	61%	0.613	S	S	*	*	H	α-helix	trans	-87.4	-19.7	-171.8	-82.3	-174.9	176.2	179.2	0	115.7	T1007	K1003-T1007 PolarHBondContact O-OG1 3.25Å
1004	S	25.8	Very low	27.6	Very low	48 Å²	48	131.2 Å²	131.2	34%	0.336	63%	0.633	S	S	.	*	H	α-helix	trans	-84	-29	-174.1	58	0	0	0	0	113.8	T1007 L1008	S1004-T1007 WeakPolarHBondContact CA-OG1 3.35Å; S1004-T1007 PolarHBondContact O-N 2.83Å; S1004-T1007 PolarHBondContact O-OG1 3.44Å; S1004-L1008 PolarHBondContact O-N 2.96Å
1005	I	24.6	Very low	27	Very low	90 Å²	90	134.3 Å²	134.3	46%	0.462	66%	0.658	S	S	.	*	H	α-helix	trans	-67.4	-37.1	176.7	-65.8	176.8	0	0	0	110.9	T1007 L1008 N1009	I1005-T1007 PolarHBondContact O-N 3.44Å; I1005-L1008 PolarHBondContact O-N 3.41Å; I1005-N1009 WeakPolarHBondContact O-CB 3.34Å; I1005-N1009 PolarHBondContact O-N 2.82Å
1006	E	25.9	Very low	26	Very low	108 Å²	108	134.7 Å²	134.7	51%	0.505	67%	0.668	S	S	.	*	H	α-helix	trans	-64.7	-39.2	174.1	-80.7	-156.7	104	0	0	112.3	K1010	E1006-K1010 VanDerWaalsContact O-CB 3.22Å; E1006-K1010 WeakPolarHBondContact O-CB 3.31Å; E1006-K1010 VanDerWaalsContact O-CG 3.3Å; E1006-K1010 WeakPolarHBondContact O-CG 3.34Å; E1006-K1010 PolarHBondContact O-N 3.47Å; E1006-K1010 IonicContact OE1-NZ 3.96Å; E1006-K1010 PolarHBondContact OE1-NZ 2.93Å
1007	T	26.6	Very low	25.5	Very low	83 Å²	83	135 Å²	135	51%	0.509	68%	0.676	S	S	.	*	H	α-helix	trans	-72.6	-30.4	177.6	44	0	0	0	0	113.6	K1003 S1004 I1005	K1003-T1007 PolarHBondContact O-OG1 3.25Å; S1004-T1007 WeakPolarHBondContact CA-OG1 3.35Å; S1004-T1007 PolarHBondContact O-N 2.83Å; S1004-T1007 PolarHBondContact O-OG1 3.44Å; I1005-T1007 PolarHBondContact O-N 3.44Å
1008	L	25.7	Very low	24.8	Very low	137 Å²	137	134.3 Å²	134.3	72%	0.717	68%	0.682	S	S	*	*	H	α-helix	trans	-74.1	-35.2	175	-100.6	136.4	0	0	0	112.2	S1004 I1005	S1004-L1008 PolarHBondContact O-N 2.96Å; I1005-L1008 PolarHBondContact O-N 3.41Å
1009	N	25.9	Very low	24.5	Very low	120 Å²	120	133.7 Å²	133.7	64%	0.642	68%	0.683	S	S	*	*	H	α-helix	trans	-82.6	-25.8	177.3	-75.3	-24	0	0	0	113.6	I1005	I1005-N1009 WeakPolarHBondContact O-CB 3.34Å; I1005-N1009 PolarHBondContact O-N 2.82Å
1010	K	24.7	Very low	24.3	Very low	152 Å²	152	134.7 Å²	134.7	66%	0.661	69%	0.694	S	S	*	*	H	α-helix	trans	-81.8	-9.7	177.9	-75.1	173.4	173.8	161.4	0	114.3	E1006 R1012	E1006-K1010 VanDerWaalsContact O-CB 3.22Å; E1006-K1010 WeakPolarHBondContact O-CB 3.31Å; E1006-K1010 VanDerWaalsContact O-CG 3.3Å; E1006-K1010 WeakPolarHBondContact O-CG 3.34Å; E1006-K1010 PolarHBondContact O-N 3.47Å; E1006-K1010 IonicContact OE1-NZ 3.96Å; E1006-K1010 PolarHBondContact OE1-NZ 2.93Å; K1010-R1012 PolarHBondContact O-N 3.44Å
1011	R	21.8	Very low	24	Very low	216 Å²	216	134.3 Å²	134.3	82%	0.815	70%	0.695	S	S	*	*			trans	-95.6	64	170.4	-69	-175.5	179.8	-174.5	1.3	110.8	P1013	R1011-P1013 VanDerWaalsContact O-CD 3.3Å; R1011-P1013 WeakPolarHBondContact O-CD 3.46Å
1012	R	21.8	Very low	23.7	Very low	217 Å²	217	137 Å²	137	82%	0.819	71%	0.709	S	S	*	*			trans	-76.1	110.8	155	-79.2	-175.7	177.7	173.9	0.1	106.6	K1010 N1014	K1010-R1012 PolarHBondContact O-N 3.44Å; R1012-N1014 PolarHBondContact O-N 3.33Å
1013	P	24.1	Very low	23.5	Very low	111 Å²	111	138.1 Å²	138.1	72%	0.721	71%	0.714	S	S	*	*			trans	-73	106.5	178.9	29.6	-30.1	0	0	0	108.2	R1011 S1015	R1011-P1013 VanDerWaalsContact O-CD 3.3Å; R1011-P1013 WeakPolarHBondContact O-CD 3.46Å; P1013-S1015 PolarHBondContact O-N 3.48Å
1014	N	23.5	Very low	23.3	Very low	165 Å²	165	136.9 Å²	136.9	88%	0.882	72%	0.715	S	S	*	*	S	Bend	trans	-67.9	72.4	162.5	-76.5	-17.2	0	0	0	109.1	R1012	R1012-N1014 PolarHBondContact O-N 3.33Å
1015	S	24.4	Very low	23.2	Very low	91 Å²	91	139.5 Å²	139.5	64%	0.636	73%	0.733	S	S	*	*	S	Bend	trans	174.8	118	159	52.1	0	0	0	0	108.2	P1013	P1013-S1015 PolarHBondContact O-N 3.48Å
1016	S	20.9	Very low	23.2	Very low	114 Å²	114	141 Å²	141	80%	0.797	75%	0.746	S	S	*	*			trans	-48.3	123.9	171.8	44.1	0	0	0	0	111.3	S1018	S1016-S1018 PolarHBondContact O-N 3.48Å
1017	P	23.1	Very low	23.4	Very low	117 Å²	117	142.9 Å²	142.9	76%	0.76	76%	0.76	S	S	*	*			trans	-76.6	116.6	-176.7	28.8	-30	0	0	0	110.2	I1019	P1017-I1019 PolarHBondContact O-N 2.85Å
1018	S	21.8	Very low	23.4	Very low	116 Å²	116	146 Å²	146	81%	0.811	77%	0.772	S	S	*	*			trans	-65	108.8	165.7	51.4	0	0	0	0	109.5	S1016 N1020	S1016-S1018 PolarHBondContact O-N 3.48Å; S1018-N1020 PolarHBondContact O-N 3.46Å
1019	I	20.7	Very low	23.3	Very low	158 Å²	158	143.7 Å²	143.7	81%	0.81	76%	0.764	S	S	*	*			trans	-70.8	104.7	172.4	-63.3	165	0	0	0	107.2	P1017	P1017-I1019 PolarHBondContact O-N 2.85Å
1020	N	21.3	Very low	23.3	Very low	155 Å²	155	146.9 Å²	146.9	83%	0.829	77%	0.774	S	S	*	*			trans	-108.1	115.3	168.8	-138.4	-7.4	0	0	0	109.1	S1018	S1018-N1020 PolarHBondContact O-N 3.46Å
1021	M	20.8	Very low	23.4	Very low	164 Å²	164	144.2 Å²	144.2	81%	0.808	78%	0.775	S	S	*	*			trans	-62.5	144.5	179.8	-72.6	-169.3	-156.9	0	0	111	L1023	M1021-L1023 PolarHBondContact O-N 2.86Å; M1021-L1023 VanDerWaalsContact O-N 3.1Å
1022	K	21.4	Very low	23.5	Very low	200 Å²	200	141.7 Å²	141.7	87%	0.87	77%	0.774	S	S	*	*			trans	-47.6	108.8	172.7	-70.2	173.7	174.2	178.4	0	111.3
1023	L	22.6	Very low	23.6	Very low	162 Å²	162	138.5 Å²	138.5	85%	0.848	77%	0.773	S	S	*	*			trans	-92.6	124	167.9	-111.9	140.8	0	0	0	109.3	M1021	M1021-L1023 PolarHBondContact O-N 2.86Å; M1021-L1023 VanDerWaalsContact O-N 3.1Å
1024	I	22.2	Very low	23.4	Very low	150 Å²	150	138.9 Å²	138.9	77%	0.769	77%	0.773	S	S	*	*			trans	-68.8	132.2	177.6	-70.1	162.2	0	0	0	109.1
1025	S	23.1	Very low	23.3	Very low	103 Å²	103	137.8 Å²	137.8	72%	0.72	77%	0.773	S	S	*	*			trans	40.5	122.6	163.9	64.8	0	0	0	0	119.9	D1027	S1025-D1027 PolarHBondContact O-N 2.84Å
1026	T	26.3	Very low	23.2	Very low	121 Å²	121	138.7 Å²	138.7	74%	0.742	78%	0.779	S	S	*	*	S	Bend	trans	-81.5	16.3	-161.5	37.7	0	0	0	0	118.4
1027	D	28.8	Very low	23.2	Very low	148 Å²	148	143.6 Å²	143.6	79%	0.791	79%	0.786	S	S	*	*	S	Bend	trans	-100.7	1	-167.8	-69.5	-8.9	0	0	0	116.1	S1025	S1025-D1027 PolarHBondContact O-N 2.84Å
1028	I	27.1	Very low	23.1	Very low	148 Å²	148	145.7 Å²	145.7	76%	0.759	79%	0.79	S	S	*	*	S	Bend	trans	-115.9	-10.4	-179.6	-60.4	178.7	0	0	0	113.5	S1031	I1028-S1031 PolarHBondContact O-OG 3.44Å
1029	V	24.2	Very low	23.1	Very low	90 Å²	90	149.2 Å²	149.2	55%	0.545	79%	0.793	S	S	.	*	G	3₁₀ helix	trans	-93.5	-6.4	-172.8	-176.9	0	0	0	0	114.1	S1031 L1033	V1029-S1031 PolarHBondContact O-N 3.22Å; V1029-S1031 VanDerWaalsContact O-N 3.09Å; V1029-L1033 HydrophobicContact CG1-CD1 4.38Å
1030	Q	25.8	Very low	23.2	Very low	186 Å²	186	149.1 Å²	149.1	87%	0.869	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-66.6	-10.3	175.7	-147.2	99	3.9	0	0	113.6
1031	S	26.5	Very low	23.2	Very low	96 Å²	96	148.8 Å²	148.8	67%	0.671	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-99.1	0.5	-175.5	67	0	0	0	0	116.2	I1028 V1029	I1028-S1031 PolarHBondContact O-OG 3.44Å; V1029-S1031 PolarHBondContact O-N 3.22Å; V1029-S1031 VanDerWaalsContact O-N 3.09Å
1032	M	24.4	Very low	23.3	Very low	163 Å²	163	147.8 Å²	147.8	80%	0.803	79%	0.789	S	S	*	*	S	Bend	trans	-128.5	10	-171.8	-78.7	-92.3	175.4	0	0	115.9
1033	L	22.5	Very low	23.3	Very low	151 Å²	151	145 Å²	145	79%	0.791	78%	0.783	S	S	*	*			trans	-104.8	41.7	-177	-84	166.3	0	0	0	115.3	V1029	V1029-L1033 HydrophobicContact CG1-CD1 4.38Å
1034	T	20.9	Very low	23.2	Very low	118 Å²	118	149.7 Å²	149.7	72%	0.724	79%	0.79	S	S	*	*			trans	-120.6	133.7	161.6	52.3	0	0	0	0	110.1
1035	T	21.4	Very low	23.2	Very low	143 Å²	143	150.1 Å²	150.1	88%	0.877	79%	0.792	S	S	*	*			trans	86	117.1	-175.3	78.8	0	0	0	0	112.7
1036	S	22.1	Very low	23.2	Very low	109 Å²	109	154 Å²	154	76%	0.762	80%	0.799	S	S	*	*			cis	-156.4	132	27.9	42.5	0	0	0	0	110.1
1037	K	20.6	Very low	22.9	Very low	218 Å²	218	157 Å²	157	95%	0.948	81%	0.805	S	S	*	*			trans	-81.7	122.8	171.2	-78.1	173.3	173.3	174.9	0	108.5
1038	L	20.9	Very low	22.6	Very low	160 Å²	160	157.6 Å²	157.6	84%	0.838	81%	0.808	S	S	*	*			trans	-121.9	118.8	171.4	-127	132.4	0	0	0	110
1039	H	22.1	Very low	22.3	Very low	190 Å²	190	160.1 Å²	160.1	88%	0.88	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.8	125.9	-177.1	-104.3	-50.2	0	0	0	111.7
1040	I	21.7	Very low	22.2	Very low	156 Å²	156	163.9 Å²	163.9	80%	0.8	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-94.5	119.5	169.7	-62.7	172.9	0	0	0	107.9
1041	N	21.3	Very low	22.1	Very low	148 Å²	148	163 Å²	163	79%	0.791	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-89.9	140.6	-176.9	-158.9	1.5	0	0	0	110.6
1042	N	23.2	Very low	21.8	Very low	143 Å²	143	165.7 Å²	165.7	77%	0.765	83%	0.834	S	S	*	*			trans	-105.7	32.8	-150.5	-115.9	-2.6	0	0	0	116
1043	N	22.7	Very low	21.7	Very low	141 Å²	141	164.6 Å²	164.6	75%	0.754	83%	0.832	S	S	*	*			trans	-115.7	27.8	-167.4	-78.4	-4.8	0	0	0	117.1
1044	W	19.7	Very low	21.7	Very low	261 Å²	261	164.1 Å²	164.1	99%	0.989	83%	0.829	S	S	*	*			trans	-112.8	50.3	177	-92.4	30.9	0	0	0	113.1
1045	I	22.8	Very low	21.7	Very low	159 Å²	159	165.1 Å²	165.1	82%	0.815	83%	0.831	S	S	*	*			trans	-129.9	77.2	168.8	-53.6	175.7	0	0	0	108.1
1046	Q	22.2	Very low	21.7	Very low	186 Å²	186	163.5 Å²	163.5	87%	0.869	82%	0.824	S	S	*	*	S	Bend	trans	177.2	114.2	155.1	-103.9	171.3	7.5	0	0	107
1047	E	21.1	Very low	21.7	Very low	184 Å²	184	165.1 Å²	165.1	86%	0.86	82%	0.822	S	S	*	*	S	Bend	trans	120.4	80.8	175.7	-71.1	-179.5	-178.9	0	0	111.6
1048	N	22.1	Very low	21.8	Very low	160 Å²	160	163.5 Å²	163.5	86%	0.856	82%	0.818	S	S	*	*			trans	169.5	59.7	140.6	-81.9	-32.4	0	0	0	109.8	Q1050	N1048-Q1050 PolarHBondContact O-N 3.33Å
1049	E	20.7	Very low	21.8	Very low	200 Å²	200	163 Å²	163	94%	0.935	82%	0.815	S	S	*	*			trans	-83.1	86.7	158.6	-74.7	-172.9	161.8	0	0	108.3
1050	Q	21.6	Very low	21.9	Very low	169 Å²	169	159.2 Å²	159.2	79%	0.79	81%	0.808	S	S	*	*			trans	-128.1	95	161.2	-78.1	-166.3	-4.4	0	0	109.7	N1048 I1052	N1048-Q1050 PolarHBondContact O-N 3.33Å; Q1050-I1052 PolarHBondContact O-N 2.86Å
1051	N	22.9	Very low	22	Very low	167 Å²	167	159.4 Å²	159.4	89%	0.893	81%	0.81	S	S	*	*			trans	30.6	76.1	145.4	-69.6	-24.5	0	0	0	117.1	N1053	N1051-N1053 PolarHBondContact O-N 3.19Å
1052	I	21.1	Very low	22	Very low	153 Å²	153	159.2 Å²	159.2	79%	0.785	81%	0.809	S	S	*	*			trans	-85.4	107.1	161	-61.8	175.4	0	0	0	108	Q1050 L1054	Q1050-I1052 PolarHBondContact O-N 2.86Å; I1052-L1054 PolarHBondContact O-N 2.84Å
1053	N	21.5	Very low	22	Very low	140 Å²	140	159 Å²	159	75%	0.749	81%	0.806	S	S	*	*			trans	-72.6	100.1	-177.5	-150.5	-12.5	0	0	0	110.3	N1051 N1055	N1051-N1053 PolarHBondContact O-N 3.19Å; N1053-N1055 VanDerWaalsContact C-N 3.29Å; N1053-N1055 PolarHBondContact O-N 3.32Å
1054	L	22.7	Very low	21.9	Very low	141 Å²	141	156.8 Å²	156.8	74%	0.738	80%	0.797	S	S	*	*			trans	-77.4	54.2	-173.7	-82.5	161.1	0	0	0	114.3	I1052 C1056	I1052-L1054 PolarHBondContact O-N 2.84Å; L1054-C1056 PolarHBondContact O-N 2.9Å
1055	N	22.1	Very low	22.1	Very low	140 Å²	140	150.2 Å²	150.2	75%	0.749	78%	0.782	S	S	*	*			trans	-83.1	50.9	174.1	-81	-22.2	0	0	0	113.6	N1053	N1053-N1055 VanDerWaalsContact C-N 3.29Å; N1053-N1055 PolarHBondContact O-N 3.32Å
1056	C	21.6	Very low	22.1	Very low	109 Å²	109	153 Å²	153	74%	0.736	78%	0.784	S	S	*	*			trans	-149.5	96.9	173.4	-79.1	0	0	0	0	110.1	L1054	L1054-C1056 PolarHBondContact O-N 2.9Å
1057	I	21.6	Very low	22	Very low	143 Å²	143	153 Å²	153	73%	0.733	78%	0.783	S	S	*	*			trans	-167.7	103.3	158.6	-91.5	136.5	0	0	0	107.3
1058	Q	22.4	Very low	22.1	Very low	184 Å²	184	150.3 Å²	150.3	86%	0.86	78%	0.78	S	S	*	*				81.3	113.3	101.5	-74.8	-178	-24.3	0	0	115.5
1059	L	21.9	Very low	22.1	Very low	148 Å²	148	150.1 Å²	150.1	78%	0.775	78%	0.777	S	S	*	*			trans	-85.8	140	178.8	-82.3	148.5	0	0	0	112.2
1060	P	22.5	Very low	22.3	Very low	112 Å²	112	147.3 Å²	147.3	73%	0.727	77%	0.769	S	S	*	*			trans	-83.8	128.9	177	32.9	-32.1	0	0	0	112
1061	N	24.8	Very low	22.4	Very low	159 Å²	159	147 Å²	147	85%	0.85	77%	0.772	S	S	*	*			trans	-82.9	107	173	-73.6	-41.4	0	0	0	110
1062	L	21.6	Very low	22.5	Very low	144 Å²	144	148.6 Å²	148.6	75%	0.754	77%	0.77	S	S	*	*			trans	-95.7	103.9	171.3	-134.9	104.5	0	0	0	109.9	V1064	L1062-V1064 HydrophobicContact CD2-CG2 4.11Å
1063	I	22.4	Very low	22.6	Very low	138 Å²	138	151.2 Å²	151.2	71%	0.708	78%	0.776	S	S	*	*			trans	-92.6	109.7	168.6	-62.9	172.1	0	0	0	107	N1065	I1063-N1065 PolarHBondContact O-N 3.45Å
1064	V	20.5	Very low	22.8	Very low	95 Å²	95	158 Å²	158	58%	0.576	80%	0.799	S	S	*	*			trans	-82.5	114.1	175.9	178.8	0	0	0	0	109	L1062	L1062-V1064 HydrophobicContact CD2-CG2 4.11Å
1065	N	23.5	Very low	22.8	Very low	123 Å²	123	158.9 Å²	158.9	66%	0.658	80%	0.802	S	S	*	*			trans	-70.5	129.9	174.1	-79	-30.6	0	0	0	111	I1063	I1063-N1065 PolarHBondContact O-N 3.45Å
1066	Y	22.7	Very low	22.8	Very low	219 Å²	219	159.8 Å²	159.8	86%	0.859	81%	0.805	S	S	*	*			trans	-95.2	109.7	162.2	-79.8	-85.1	0	0	0	108.6	T1068	Y1066-T1068 PolarHBondContact O-N 3.25Å
1067	E	21.6	Very low	22.9	Very low	184 Å²	184	162.7 Å²	162.7	86%	0.86	81%	0.809	S	S	*	*			trans	-66.5	119	172.8	-73.7	-173.1	149.7	0	0	110.5	I1069	E1067-I1069 PolarHBondContact O-N 3.46Å
1068	T	21.8	Very low	22.9	Very low	128 Å²	128	163.8 Å²	163.8	79%	0.785	81%	0.813	S	S	*	*			trans	-72	106.6	172.4	24.6	0	0	0	0	110.2	Y1066 N1070	Y1066-T1068 PolarHBondContact O-N 3.25Å; T1068-N1070 PolarHBondContact O-N 2.99Å
1069	I	22.9	Very low	23	Very low	157 Å²	157	162.6 Å²	162.6	81%	0.805	81%	0.81	S	S	*	*			trans	-67	96.6	168.5	-61.8	172.6	0	0	0	108.1	E1067 L1071	E1067-I1069 PolarHBondContact O-N 3.46Å; I1069-L1071 PolarHBondContact O-N 3.37Å; I1069-L1071 VanDerWaalsContact O-N 3.08Å
1070	N	24.2	Very low	23	Very low	141 Å²	141	163.5 Å²	163.5	75%	0.754	81%	0.813	S	S	*	*			trans	-67.5	100.7	170.9	-99.6	-33.7	0	0	0	109.5	T1068 K1072	T1068-N1070 PolarHBondContact O-N 2.99Å; N1070-K1072 VanDerWaalsContact C-N 3.29Å; N1070-K1072 PolarHBondContact O-N 3.22Å
1071	L	24.3	Very low	23.1	Very low	163 Å²	163	167.2 Å²	167.2	85%	0.853	82%	0.819	S	S	*	*			trans	-64.7	90.9	164	-77.8	163.1	0	0	0	108.8	I1069 K1073	I1069-L1071 PolarHBondContact O-N 3.37Å; I1069-L1071 VanDerWaalsContact O-N 3.08Å; L1071-K1073 PolarHBondContact O-N 3.37Å
1072	K	24.9	Very low	22.9	Very low	199 Å²	199	167.8 Å²	167.8	87%	0.865	82%	0.816	S	S	*	*			trans	-60.5	105.6	165.7	-80.3	-177.6	175	178.2	0	108.1	N1070 K1074	N1070-K1072 VanDerWaalsContact C-N 3.29Å; N1070-K1072 PolarHBondContact O-N 3.22Å; K1072-K1074 PolarHBondContact O-N 3.06Å
1073	K	22.8	Very low	23.1	Very low	208 Å²	208	169.8 Å²	169.8	90%	0.904	82%	0.821	S	S	*	*			trans	-56.9	115.8	160.7	-80.6	-179.1	174.2	179	0	108.4	L1071	L1071-K1073 PolarHBondContact O-N 3.37Å
1074	K	25.2	Very low	23.1	Very low	283 Å²	283	172.7 Å²	172.7	100%	1.23	83%	0.832	S	S	*	*			trans	-97.4	0	138.1	-96.4	-171.3	174.3	-176.4	0	107	K1072	K1072-K1074 PolarHBondContact O-N 3.06Å

Retrieved 1,074 of 1,074 residues in 1715.2 ms (Link to these results)

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