A0A3Q0KQQ1_SCHMA Loading...

Rav1p_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQQ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 928 aa.

						>A0A3Q0KQQ1_SCHMA|A0A3Q0KQQ1
MDTSMEDLFSDFDKSTVLVEAADTKKNSTEKHDLMVLTTETIGNETIRIEGVYQASTQSLCLVIELHENSSLSSCINLEIPYQYPSSSTNLSETENIPIHICTLCDKNHFMNIITYPQHQTSTVFADLSSTSSSFSSIFACSKRFIDILCDIENEDIRDNPDLVRLCSLPNGLVYAIWYTTMDKKLHCSVAFPLSCCKPIVTWAFIRNPAANSTVSRIIDNTLADNHCTQIENNTVNDLLIGLTKDGEGIGVWFDSSEDVYNKKVLNITEFSLPQSPDPITKCRAQGSWLHVITQSGHLMSVHFSLQLKQCNDNNNGKSTRWNLLCQSTNFPRLPIHLSPVNNIEQWIKSYPRWRNLNVCDFTRLADGHLGSVDSRGCKTRLVDLLSKSEIDTPVNYTEQQLNQTFMELIKTKYQMKSYLACLLLLNRLSNFKVNIDKNDWSQSPLDCKIYLTSCRADHESGSQSPLELIVDITVQNTTTDDNLEENINELLFHSDLNKFSLNNLAQIILFKSYMNNNNTKNYIISDYLEKYLYIVIKIEAVRTDYESSSLTSSSSPSSSNMKDLITDVDNNVVNNHHSLVYTYRELWFSSPIINNSDNSKLRRFIIPSVNWLQIFHMTELNNSSLFQQDLLPTTTNRMFSFDGGTLRVDVQLEFQPPILPQYLYCFNQKLFKNVKKFDHSPIFVTIGHCCLDCLHFLYQIENNSLLKIVENENPMKFIHTMHININDSVFQSIISDIFKNSISFSSNHHENFLKLMVKSNNSNNGQLFYCCLTHQSVKFEWSVNLDPFSFKQENNKEGETSNIDNNNYSSNTWCFTISSICLQTLWSVYKAIELRQKISLQKNNSIETFKRPTVEQLRLECSILKKLLTSLHDIRESISNKDNNNNIVNGNYLTEKLLPEPKCTLNFLLDSYCVIRKTAMSSSLFYQ
					

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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	39.9	Very low	44.3	Very low	228 Å²	228	127 Å²	127	100%	1.123	67%	0.668	S	S	*	*				0	95.3	0	-74.5	-175.1	-164.6	0	0	104.2	T3	M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 2.73Å
2	D	42.4	Very low	43.8	Very low	164 Å²	164	128.7 Å²	128.7	88%	0.877	67%	0.666	S	S	*	*			trans	-80.9	82.1	-173.5	-64.1	-28.1	0	0	0	108.3	S4	D2-S4 VanDerWaalsContact C-N 3.31Å; D2-S4 PolarHBondContact O-N 3.39Å; D2-S4 VanDerWaalsContact O-N 3.15Å
3	T	40.8	Very low	43.5	Very low	121 Å²	121	127.8 Å²	127.8	74%	0.742	66%	0.663	S	S	*	*			trans	-79.3	89.8	165.9	47.8	0	0	0	0	106.8	M1	M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 2.73Å
4	S	44.7	Very low	42.9	Very low	61 Å²	61	130.4 Å²	130.4	43%	0.427	67%	0.667	S	S	.	*			trans	-57.9	135.2	174.9	42.3	0	0	0	0	109.8	D2 E6 D7	D2-S4 VanDerWaalsContact C-N 3.31Å; D2-S4 PolarHBondContact O-N 3.39Å; D2-S4 VanDerWaalsContact O-N 3.15Å; S4-E6 PolarHBondContact O-N 2.77Å; S4-D7 PolarHBondContact O-N 2.73Å
5	M	42.2	Very low	42.6	Very low	143 Å²	143	127.7 Å²	127.7	70%	0.704	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.9	-18.2	-179.6	-135.9	-178.3	-46.9	0	0	114.1	D7 L8 F9	M5-D7 VanDerWaalsContact C-N 3.31Å; M5-D7 PolarHBondContact O-N 3.07Å; M5-L8 WeakPolarHBondContact O-CB 3.38Å; M5-L8 PolarHBondContact O-N 3.31Å; M5-F9 HydrophobicContact CG-CE2 4.3Å; M5-F9 VanDerWaalsContact O-CD2 3.23Å; M5-F9 WeakPolarHBondContact O-CD2 3.49Å
6	E	47.1	Very low	41.9	Very low	151 Å²	151	126.1 Å²	126.1	71%	0.706	66%	0.662	S	S	*	*	H	α-helix	trans	-62.6	-31.3	176.3	-70.4	166	167.8	0	0	113.2	S4 L8 F9 S10	S4-E6 PolarHBondContact O-N 2.77Å; E6-L8 VanDerWaalsContact C-N 3.31Å; E6-L8 PolarHBondContact O-N 3.43Å; E6-F9 PolarHBondContact O-N 2.89Å; E6-S10 PolarHBondContact O-N 3Å
7	D	50.8	Low	41.2	Very low	101 Å²	101	124.7 Å²	124.7	54%	0.54	66%	0.66	S	S	.	*	H	α-helix	trans	-66.3	-35.8	177.2	-81.4	-17.9	0	0	0	111.5	S4 M5 F9 S10 D11	S4-D7 PolarHBondContact O-N 2.73Å; M5-D7 VanDerWaalsContact C-N 3.31Å; M5-D7 PolarHBondContact O-N 3.07Å; D7-F9 VanDerWaalsContact C-N 3.29Å; D7-F9 PolarHBondContact O-N 3.03Å; D7-S10 PolarHBondContact O-N 2.76Å; D7-S10 PolarHBondContact O-OG 3.19Å; D7-D11 PolarHBondContact O-N 2.96Å
8	L	42.2	Very low	40.5	Very low	127 Å²	127	126.7 Å²	126.7	67%	0.665	67%	0.669	S	S	*	*	H	α-helix	trans	-65.2	-30.1	178.7	-103.7	148.1	0	0	0	113	M5 E6	M5-L8 WeakPolarHBondContact O-CB 3.38Å; M5-L8 PolarHBondContact O-N 3.31Å; E6-L8 VanDerWaalsContact C-N 3.31Å; E6-L8 PolarHBondContact O-N 3.43Å
9	F	44.7	Very low	40	Very low	131 Å²	131	126.2 Å²	126.2	58%	0.575	67%	0.672	S	S	*	*	H	α-helix	trans	-90.5	-26.3	178	-64.8	-70.1	0	0	0	112.8	M5 E6 D7 D11 F12 D13	M5-F9 HydrophobicContact CG-CE2 4.3Å; M5-F9 VanDerWaalsContact O-CD2 3.23Å; M5-F9 WeakPolarHBondContact O-CD2 3.49Å; E6-F9 PolarHBondContact O-N 2.89Å; D7-F9 VanDerWaalsContact C-N 3.29Å; D7-F9 PolarHBondContact O-N 3.03Å; F9-D11 PolarHBondContact O-N 2.83Å; F9-F12 PolarHBondContact O-N 2.74Å; F9-F12 VanDerWaalsContact O-N 3.07Å; F9-D13 PolarHBondContact O-N 3.33Å
10	S	46.8	Very low	39.4	Very low	49 Å²	49	129.5 Å²	129.5	34%	0.343	68%	0.683	S	S	.	*	H	α-helix	trans	-65.1	-27.1	176.4	76.1	0	0	0	0	113.3	E6 D7	E6-S10 PolarHBondContact O-N 3Å; D7-S10 PolarHBondContact O-N 2.76Å; D7-S10 PolarHBondContact O-OG 3.19Å
11	D	45.7	Very low	38.8	Very low	121 Å²	121	126.8 Å²	126.8	65%	0.647	68%	0.679	S	S	*	*	H	α-helix	trans	-75.2	-27.4	173.1	-83.4	-14.3	0	0	0	112.6	D7 F9	D7-D11 PolarHBondContact O-N 2.96Å; F9-D11 PolarHBondContact O-N 2.83Å
12	F	38.3	Very low	38.2	Very low	147 Å²	147	119.9 Å²	119.9	65%	0.645	66%	0.658	S	S	*	*	H	α-helix	trans	-74.6	-41.4	176.1	-97.4	-84	0	0	0	112.1	F9 K14 S15	F9-F12 PolarHBondContact O-N 2.74Å; F9-F12 VanDerWaalsContact O-N 3.07Å; F12-K14 VanDerWaalsContact C-N 3.29Å; F12-K14 PolarHBondContact O-N 3.3Å; F12-S15 PolarHBondContact O-N 3.04Å; F12-S15 VanDerWaalsContact O-N 3.1Å; F12-S15 PolarHBondContact O-OG 2.67Å
13	D	39.5	Very low	37.4	Very low	118 Å²	118	119.8 Å²	119.8	63%	0.631	66%	0.658	S	S	*	*	H	α-helix	trans	-72.6	-19	-177.8	-80.5	-19.2	0	0	0	113.9	F9 S15 T16	F9-D13 PolarHBondContact O-N 3.33Å; D13-S15 VanDerWaalsContact C-N 3.27Å; D13-S15 PolarHBondContact O-N 2.83Å; D13-T16 PolarHBondContact O-OG1 2.99Å
14	K	36.1	Very low	36.7	Very low	163 Å²	163	119.4 Å²	119.4	71%	0.709	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-14.5	171.5	-75.8	179.9	-177.2	166	0	113.5	F12	F12-K14 VanDerWaalsContact C-N 3.29Å; F12-K14 PolarHBondContact O-N 3.3Å
15	S	37.5	Very low	35.8	Very low	90 Å²	90	125.8 Å²	125.8	63%	0.629	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-10.8	177.9	72.4	0	0	0	0	114	F12 D13	F12-S15 PolarHBondContact O-N 3.04Å; F12-S15 VanDerWaalsContact O-N 3.1Å; F12-S15 PolarHBondContact O-OG 2.67Å; D13-S15 VanDerWaalsContact C-N 3.27Å; D13-S15 PolarHBondContact O-N 2.83Å
16	T	31.5	Very low	35.1	Very low	103 Å²	103	127.7 Å²	127.7	63%	0.632	68%	0.68	S	S	*	*	S	Bend	trans	-102.9	1.2	-178.8	53.4	0	0	0	0	114.2	D13 L18	D13-T16 PolarHBondContact O-OG1 2.99Å; T16-L18 PolarHBondContact O-N 3.03Å
17	V	30.2	Very low	34.2	Very low	102 Å²	102	126.8 Å²	126.8	62%	0.618	68%	0.68	S	S	*	*			trans	-74.1	104.3	171.2	-177.2	0	0	0	0	108.2	V19	V17-V19 PolarHBondContact O-N 3.33Å
18	L	29.1	Very low	33.1	Very low	160 Å²	160	127.4 Å²	127.4	84%	0.838	69%	0.692	S	S	*	*			trans	-45.6	86.5	161	-86.5	138.2	0	0	0	109.4	T16 E20	T16-L18 PolarHBondContact O-N 3.03Å; L18-E20 VanDerWaalsContact C-N 3.28Å; L18-E20 PolarHBondContact O-N 3.16Å
19	V	30.5	Very low	32.7	Very low	117 Å²	117	126.9 Å²	126.9	71%	0.709	69%	0.694	S	S	*	*			trans	-72.5	96.6	167	-178.6	0	0	0	0	105.2	V17 A21	V17-V19 PolarHBondContact O-N 3.33Å; V19-A21 HydrophobicContact CG1-CB 3.67Å; V19-A21 PolarHBondContact O-N 2.92Å
20	E	27.5	Very low	32.3	Very low	193 Å²	193	127.9 Å²	127.9	90%	0.902	70%	0.7	S	S	*	*			trans	-61.6	64.8	161.8	-70.4	-176.9	155.1	0	0	109.4	L18	L18-E20 VanDerWaalsContact C-N 3.28Å; L18-E20 PolarHBondContact O-N 3.16Å
21	A	28.2	Very low	32	Very low	72 Å²	72	134.1 Å²	134.1	60%	0.595	72%	0.722	S	S	*	*			trans	-98.9	88	168.8	0	0	0	0	0	108.2	V19	V19-A21 HydrophobicContact CG1-CB 3.67Å; V19-A21 PolarHBondContact O-N 2.92Å
22	A	25.5	Very low	32.1	Very low	83 Å²	83	133.6 Å²	133.6	69%	0.686	72%	0.715	S	S	*	*			trans	27.5	104.2	139.9	0	0	0	0	0	117.1	T24	A22-T24 PolarHBondContact O-N 3.2Å
23	D	25.6	Very low	33.1	Very low	163 Å²	163	130.2 Å²	130.2	87%	0.872	70%	0.703	S	S	*	*			trans	44.9	47.2	135.9	-72.4	-27.3	0	0	0	118.7
24	T	26.6	Very low	34	Very low	112 Å²	112	127.8 Å²	127.8	69%	0.687	69%	0.69	S	S	*	*			trans	-108.2	95.6	147.4	56.5	0	0	0	0	108.7	A22 K26	A22-T24 PolarHBondContact O-N 3.2Å; T24-K26 PolarHBondContact O-N 3.5Å
25	K	26.7	Very low	35.5	Very low	196 Å²	196	120.5 Å²	120.5	85%	0.852	66%	0.659	S	S	*	*			trans	-56.4	76.9	159.9	-77.2	-179.7	175.7	177.4	0	109	N27	K25-N27 PolarHBondContact O-N 3.17Å; K25-N27 VanDerWaalsContact O-N 3.13Å
26	K	26.8	Very low	37	Very low	182 Å²	182	116.2 Å²	116.2	79%	0.791	63%	0.629	S	S	*	*			trans	-77	91.3	158.2	-79.7	-175.3	177.5	177.5	0	104.8	T24 S28	T24-K26 PolarHBondContact O-N 3.5Å; K26-S28 VanDerWaalsContact C-N 3.33Å; K26-S28 PolarHBondContact O-N 3.46Å
27	N	27.9	Very low	39.1	Very low	133 Å²	133	115.3 Å²	115.3	71%	0.711	62%	0.62	S	S	*	*			trans	-49.5	107.8	159.9	-70.8	-15.5	0	0	0	105.9	K25 T29	K25-N27 PolarHBondContact O-N 3.17Å; K25-N27 VanDerWaalsContact O-N 3.13Å; N27-T29 PolarHBondContact O-N 2.97Å
28	S	28.8	Very low	41.4	Very low	113 Å²	113	112 Å²	112	79%	0.79	60%	0.6	S	S	*	*			trans	-65.9	81.8	164.5	53.3	0	0	0	0	105.9	K26 E30	K26-S28 VanDerWaalsContact C-N 3.33Å; K26-S28 PolarHBondContact O-N 3.46Å; S28-E30 VanDerWaalsContact C-N 3.31Å; S28-E30 PolarHBondContact O-N 2.97Å
29	T	32.3	Very low	43.7	Very low	117 Å²	117	108.4 Å²	108.4	72%	0.718	58%	0.584	S	S	*	*			trans	-61.4	102.2	164	43.6	0	0	0	0	105.2	N27 K31	N27-T29 PolarHBondContact O-N 2.97Å; T29-K31 PolarHBondContact O-N 3.25Å; T29-K31 VanDerWaalsContact O-N 3.08Å
30	E	37.3	Very low	46.1	Very low	151 Å²	151	103.3 Å²	103.3	71%	0.706	55%	0.553	S	S	*	*			trans	-43.4	120.5	157.6	-73.5	179.6	158.4	0	0	106.2	S28 H32	S28-E30 VanDerWaalsContact C-N 3.31Å; S28-E30 PolarHBondContact O-N 2.97Å; E30-H32 PolarHBondContact O-N 3.18Å
31	K	39.5	Very low	48.4	Very low	181 Å²	181	96.9 Å²	96.9	79%	0.787	53%	0.527	S	S	*	.			trans	-66.4	95.1	176	-83.8	-174.5	173.3	-173.6	0	106.6	T29 D33	T29-K31 PolarHBondContact O-N 3.25Å; T29-K31 VanDerWaalsContact O-N 3.08Å; K31-D33 VanDerWaalsContact C-N 3.27Å; K31-D33 PolarHBondContact O-N 3.13Å
32	H	48.1	Very low	50.5	Low	110 Å²	110	93.8 Å²	93.8	51%	0.509	50%	0.5	S	S	.	.			trans	-70.7	90.9	165	-70.7	-53.3	0	0	0	106.8	E30 L34 V52	E30-H32 PolarHBondContact O-N 3.18Å; H32-L34 PolarHBondContact O-N 3.31Å; H32-V52 HydrophobicContact CB-CG1 3.57Å
33	D	60.2	Low	52.6	Low	75 Å²	75	90.1 Å²	90.1	40%	0.401	47%	0.471	S	S	.	.			trans	-69.4	106.7	173.8	-69.7	-23.1	0	0	0	107.5	K31 M35	K31-D33 VanDerWaalsContact C-N 3.27Å; K31-D33 PolarHBondContact O-N 3.13Å; D33-M35 PolarHBondContact O-N 3.46Å; D33-M35 VanDerWaalsContact O-N 3.12Å
34	L	58.3	Low	54.8	Low	68 Å²	68	85 Å²	85	36%	0.356	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	110.6	176.1	-170.8	82.1	0	0	0	108.1	H32 L37 E50 V52	H32-L34 PolarHBondContact O-N 3.31Å; L34-L37 HydrophobicContact CD2-CB 3.79Å; L34-L37 HydrophobicContact CD2-CD2 3.98Å; L34-L37 HydrophobicContact CD2-CG 4.35Å; L34-L37 HydrophobicContact CG-CB 4.46Å; L34-E50 HydrophobicContact CD1-CB 4.41Å; L34-V52 HydrophobicContact CD1-CG2 4.18Å
35	M	66.6	Low	57.3	Low	9 Å²	9	81.2 Å²	81.2	4%	0.044	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-29.7	-177.7	-69.3	-158.8	107.4	0	0	112.7	D33 G51 Y53 L60 Y82 Y84 N96 I97	D33-M35 PolarHBondContact O-N 3.46Å; D33-M35 VanDerWaalsContact O-N 3.12Å; M35-G51 PolarHBondContact N-O 3.03Å; M35-Y53 WeakPolarHBondContact SD-CB 3.49Å; M35-Y53 HydrophobicContact SD-CD2 4.44Å; M35-Y53 HydrophobicContact SD-CG 4.1Å; M35-L60 HydrophobicContact CB-CD1 4.1Å; M35-L60 HydrophobicContact SD-CD1 4.35Å; M35-Y82 HydrophobicContact CE-CE1 4.44Å; M35-Y82 HydrophobicContact SD-CE1 4.39Å; M35-Y84 HydrophobicContact CE-CE2 3.73Å; M35-Y84 WeakPolarHBondContact CE-OH 3.06Å; M35-Y84 HydrophobicContact SD-CE2 4.47Å; M35-N96 CarbonylContact O-C 3.6Å; M35-N96 VanDerWaalsContact O-CA 3.27Å; M35-N96 WeakPolarHBondContact O-CA 3.41Å; M35-N96 PolarHBondContact O-N 3.21Å; M35-I97 PolarHBondContact O-N 2.88Å
36	V	69	Low	59.8	Low	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.9	-177.2	177.1	0	0	0	0	108.3	I49 E50 G51 L60 L62 I97 I99	V36-I49 HydrophobicContact CG1-CG2 4.35Å; V36-E50 CarbonylContact O-C 3.6Å; V36-E50 WeakPolarHBondContact O-CA 3.42Å; V36-G51 PolarHBondContact N-O 3.29Å; V36-G51 VanDerWaalsContact N-O 3.15Å; V36-G51 PolarHBondContact O-N 2.77Å; V36-L60 HydrophobicContact CG2-CD2 4.18Å; V36-L62 HydrophobicContact CB-CD2 4.31Å; V36-L62 HydrophobicContact CG1-CD2 4.3Å; V36-L62 HydrophobicContact CG2-CD2 4.46Å; V36-I97 HydrophobicContact CG2-CB 4.09Å; V36-I97 HydrophobicContact CG2-CD1 4.33Å; V36-I99 HydrophobicContact CB-CD1 4.23Å; V36-I99 HydrophobicContact CG1-CB 4.43Å; V36-I99 HydrophobicContact CG1-CD1 3.38Å; V36-I99 HydrophobicContact CG1-CG1 3.84Å; V36-I99 HydrophobicContact CG2-CD1 3.74Å; V36-I99 HydrophobicContact CG2-CG1 4.4Å
37	L	77	Confident	62.6	Low	85 Å²	85	65 Å²	65	45%	0.445	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	114.8	166	179.6	61.2	0	0	0	108.4	L34 I49 E50	L34-L37 HydrophobicContact CD2-CB 3.79Å; L34-L37 HydrophobicContact CD2-CD2 3.98Å; L34-L37 HydrophobicContact CD2-CG 4.35Å; L34-L37 HydrophobicContact CG-CB 4.46Å; L37-I49 WeakPolarHBondContact CA-O 3.49Å; L37-E50 HydrophobicContact CD1-CG 3.87Å; L37-E50 WeakPolarHBondContact CD1-OE1 3.49Å
38	T	77.3	Confident	65.3	Low	31 Å²	31	63 Å²	63	19%	0.19	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.4	173.6	-127.5	0	0	0	0	109.9	I49 I99 I101	T38-I49 HydrophobicContact CG2-CB 4.23Å; T38-I49 HydrophobicContact CG2-CD1 4.3Å; T38-I49 HydrophobicContact CG2-CG1 4.42Å; T38-I49 PolarHBondContact N-O 3.01Å; T38-I49 PolarHBondContact O-N 3.03Å; T38-I99 PolarHBondContact OG1-O 3.39Å; T38-I101 HydrophobicContact CG2-CD1 3.38Å; T38-I101 HydrophobicContact CG2-CG1 3.52Å
39	T	78.3	Confident	67.9	Low	85 Å²	85	57.8 Å²	57.8	52%	0.521	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.3	180	53.8	0	0	0	0	109.4	I47 R48	T39-I47 VanDerWaalsContact CA-O 3.31Å; T39-I47 WeakPolarHBondContact CA-O 3.47Å; T39-R48 HydrophobicContact CG2-CB 4.06Å; T39-R48 HydrophobicContact CG2-CG 3.82Å
40	E	80.4	Confident	70.3	Confident	11 Å²	11	54.1 Å²	54.1	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.8	173.6	-173.8	-172.6	-155.2	0	0	108.8	I42 T46 I47 I101 T103 R165	E40-I42 HydrophobicContact CG-CD1 4.38Å; E40-I42 HydrophobicContact CG-CG1 4.2Å; E40-T46 CarbonylContact O-C 3.51Å; E40-T46 WeakPolarHBondContact O-CA 3.49Å; E40-I47 HydrophobicContact CB-CG2 3.92Å; E40-I47 PolarHBondContact N-O 3.45Å; E40-I47 PolarHBondContact O-N 3.38Å; E40-I101 HydrophobicContact CB-CD1 4.04Å; E40-I101 WeakPolarHBondContact OE2-CG2 3.48Å; E40-T103 PolarHBondContact OE1-OG1 3.11Å; E40-T103 VanDerWaalsContact OE1-OG1 3.13Å; E40-T103 PolarHBondContact OE2-OG1 3.31Å; E40-R165 IonicContact OE2-NE 3.61Å
41	T	75.7	Confident	72.4	Confident	57 Å²	57	47 Å²	47	35%	0.35	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.7	176.5	-59.5	0	0	0	0	108.7	E45 T46 F135	T41-E45 CarbonylContact C-O 3.57Å; T41-E45 WeakPolarHBondContact CA-O 3.39Å; T41-T46 VanDerWaalsContact CG2-OG1 3.29Å; T41-T46 WeakPolarHBondContact CG2-OG1 3.28Å; T41-T46 VanDerWaalsContact OG1-CG2 3.31Å; T41-T46 WeakPolarHBondContact OG1-CG2 3.23Å; T41-T46 PolarHBondContact OG1-OG1 2.81Å; T41-F135 WeakPolarHBondContact O-CE1 3.47Å
42	I	71.5	Confident	74.3	Confident	7 Å²	7	39.9 Å²	39.9	4%	0.036	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	114.3	175.8	-58.7	-178.9	0	0	0	107.8	E40 N44 E45 T103 I113 I138	E40-I42 HydrophobicContact CG-CD1 4.38Å; E40-I42 HydrophobicContact CG-CG1 4.2Å; I42-N44 PolarHBondContact O-N 3.21Å; I42-E45 PolarHBondContact N-O 3.41Å; I42-E45 PolarHBondContact O-N 2.95Å; I42-T103 HydrophobicContact CD1-CG2 3.61Å; I42-T103 VanDerWaalsContact CD1-OG1 3.31Å; I42-T103 WeakPolarHBondContact CD1-OG1 3.5Å; I42-I113 HydrophobicContact CG2-CB 4.29Å; I42-I113 HydrophobicContact CG2-CD1 3.75Å; I42-I113 HydrophobicContact CG2-CG1 3.76Å; I42-I113 HydrophobicContact CG2-CG2 3.54Å; I42-I138 HydrophobicContact CD1-CD1 3.78Å; I42-I138 HydrophobicContact CD1-CG1 4.16Å; I42-I138 HydrophobicContact CG1-CD1 4.02Å; I42-I138 HydrophobicContact CG2-CD1 4.49Å
43	G	70.7	Confident	75.4	Confident	7 Å²	7	37 Å²	37	7%	0.072	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-118.9	-173.7	0	0	0	0	0	111.6	Q118	G43-Q118 PolarHBondContact O-OE1 3.44Å
44	N	72.5	Confident	75.9	Confident	56 Å²	56	36.8 Å²	36.8	30%	0.299	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-5.1	176.8	63.1	-35.6	0	0	0	114.2	I42 E68 N69	I42-N44 PolarHBondContact O-N 3.21Å; N44-E68 CarbonylContact O-C 3.6Å; N44-E68 WeakPolarHBondContact O-CA 3.31Å; N44-N69 WeakPolarHBondContact CB-OD1 3.42Å; N44-N69 PolarHBondContact O-N 3.14Å
45	E	77.8	Confident	76.2	Confident	32 Å²	32	37.2 Å²	37.2	15%	0.15	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	134	178.2	-69.3	-178.4	-173.9	0	0	110.4	T41 I42 L66 H67 E68 R165	T41-E45 CarbonylContact C-O 3.57Å; T41-E45 WeakPolarHBondContact CA-O 3.39Å; I42-E45 PolarHBondContact N-O 3.41Å; I42-E45 PolarHBondContact O-N 2.95Å; E45-L66 HydrophobicContact CB-CD1 4.28Å; E45-H67 CarbonylContact C-O 3.5Å; E45-H67 WeakPolarHBondContact CA-O 3.39Å; E45-E68 HydrophobicContact CG-CG 4.06Å; E45-R165 IonicContact OE2-CZ 3.44Å; E45-R165 IonicContact OE2-NH1 2.81Å; E45-R165 PolarHBondContact OE2-NH1 2.74Å; E45-R165 IonicContact OE2-NH2 2.73Å; E45-R165 PolarHBondContact OE2-NH2 2.98Å
46	T	80.3	Confident	76.2	Confident	37 Å²	37	42 Å²	42	23%	0.227	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.3	169.5	-59.8	0	0	0	0	108.8	E40 T41 H67	E40-T46 CarbonylContact O-C 3.51Å; E40-T46 WeakPolarHBondContact O-CA 3.49Å; T41-T46 VanDerWaalsContact CG2-OG1 3.29Å; T41-T46 WeakPolarHBondContact CG2-OG1 3.28Å; T41-T46 VanDerWaalsContact OG1-CG2 3.31Å; T41-T46 WeakPolarHBondContact OG1-CG2 3.23Å; T41-T46 PolarHBondContact OG1-OG1 2.81Å; T46-H67 PolarHBondContact N-O 2.93Å; T46-H67 PolarHBondContact O-N 2.99Å
47	I	84.4	Confident	75.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.5	169.8	-165.7	165.4	0	0	0	109.1	T39 E40 I64 E65 L66 I101 I177	T39-I47 VanDerWaalsContact CA-O 3.31Å; T39-I47 WeakPolarHBondContact CA-O 3.47Å; E40-I47 HydrophobicContact CB-CG2 3.92Å; E40-I47 PolarHBondContact N-O 3.45Å; E40-I47 PolarHBondContact O-N 3.38Å; I47-I64 HydrophobicContact CD1-CG2 3.94Å; I47-I64 HydrophobicContact CG1-CG2 4.13Å; I47-E65 CarbonylContact C-O 3.59Å; I47-E65 WeakPolarHBondContact CA-O 3.31Å; I47-L66 HydrophobicContact CB-CD1 4.34Å; I47-I101 HydrophobicContact CG2-CD1 3.65Å; I47-I177 HydrophobicContact CD1-CD1 4.4Å; I47-I177 HydrophobicContact CD1-CG2 3.88Å
48	R	84.8	Confident	75.6	Confident	92 Å²	92	47.3 Å²	47.3	35%	0.347	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.3	175.6	179.1	178.6	-173.4	-170.5	1.2	108.3	T39 E50 I64 E65	T39-R48 HydrophobicContact CG2-CB 4.06Å; T39-R48 HydrophobicContact CG2-CG 3.82Å; R48-E50 HydrophobicContact CG-CG 3.83Å; R48-E50 VanDerWaalsContact CZ-CD 3.46Å; R48-E50 IonicContact CZ-OE1 3.33Å; R48-E50 IonicContact CZ-OE2 3.94Å; R48-E50 IonicContact NE-OE1 2.8Å; R48-E50 PolarHBondContact NE-OE1 2.79Å; R48-E50 IonicContact NE-OE2 2.85Å; R48-E50 VanDerWaalsContact NH2-CD 3.34Å; R48-E50 IonicContact NH2-OE1 3.98Å; R48-E50 PolarHBondContact NH2-OE1 2.89Å; R48-E50 IonicContact NH2-OE2 3.59Å; R48-I64 CarbonylContact O-C 3.56Å; R48-I64 WeakPolarHBondContact O-CA 3.49Å; R48-E65 HydrophobicContact CB-CB 4.41Å; R48-E65 PolarHBondContact N-O 3.08Å; R48-E65 PolarHBondContact O-N 2.96Å
49	I	83.3	Confident	75.3	Confident	3 Å²	3	46 Å²	46	2%	0.015	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.7	175.6	-54.8	-179.9	0	0	0	107.1	V36 L37 T38 L62 V63 I64 I101 C167 I177	V36-I49 HydrophobicContact CG1-CG2 4.35Å; L37-I49 WeakPolarHBondContact CA-O 3.49Å; T38-I49 HydrophobicContact CG2-CB 4.23Å; T38-I49 HydrophobicContact CG2-CD1 4.3Å; T38-I49 HydrophobicContact CG2-CG1 4.42Å; T38-I49 PolarHBondContact N-O 3.01Å; T38-I49 PolarHBondContact O-N 3.03Å; I49-L62 HydrophobicContact CG2-CD2 4.02Å; I49-V63 WeakPolarHBondContact CA-O 3.46Å; I49-I64 HydrophobicContact CG1-CG1 4.31Å; I49-I64 HydrophobicContact CG1-CG2 4.23Å; I49-I64 HydrophobicContact CG2-CG1 4.28Å; I49-I101 HydrophobicContact CD1-CD1 3.82Å; I49-I101 HydrophobicContact CD1-CG1 4.21Å; I49-I101 HydrophobicContact CG1-CD1 4.36Å; I49-C167 HydrophobicContact CD1-CB 4.24Å; I49-I177 HydrophobicContact CD1-CD1 4.01Å
50	E	83.4	Confident	75.1	Confident	40 Å²	40	42.1 Å²	42.1	19%	0.187	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.9	176.6	-51.2	-151.2	122.7	0	0	109.6	L34 V36 L37 R48 L62 V63	L34-E50 HydrophobicContact CD1-CB 4.41Å; V36-E50 CarbonylContact O-C 3.6Å; V36-E50 WeakPolarHBondContact O-CA 3.42Å; L37-E50 HydrophobicContact CD1-CG 3.87Å; L37-E50 WeakPolarHBondContact CD1-OE1 3.49Å; R48-E50 HydrophobicContact CG-CG 3.83Å; R48-E50 VanDerWaalsContact CZ-CD 3.46Å; R48-E50 IonicContact CZ-OE1 3.33Å; R48-E50 IonicContact CZ-OE2 3.94Å; R48-E50 IonicContact NE-OE1 2.8Å; R48-E50 PolarHBondContact NE-OE1 2.79Å; R48-E50 IonicContact NE-OE2 2.85Å; R48-E50 VanDerWaalsContact NH2-CD 3.34Å; R48-E50 IonicContact NH2-OE1 3.98Å; R48-E50 PolarHBondContact NH2-OE1 2.89Å; R48-E50 IonicContact NH2-OE2 3.59Å; E50-L62 CarbonylContact O-C 3.55Å; E50-L62 WeakPolarHBondContact O-CA 3.21Å; E50-V63 PolarHBondContact N-O 3.48Å; E50-V63 PolarHBondContact O-N 3.16Å
51	G	80.4	Confident	75.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.1	178.1	0	0	0	0	0	111.1	M35 V36 C61	M35-G51 PolarHBondContact N-O 3.03Å; V36-G51 PolarHBondContact N-O 3.29Å; V36-G51 VanDerWaalsContact N-O 3.15Å; V36-G51 PolarHBondContact O-N 2.77Å; G51-C61 WeakPolarHBondContact CA-O 3.24Å
52	V	79.2	Confident	75.5	Confident	33 Å²	33	40 Å²	40	20%	0.2	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.4	175.5	177.5	0	0	0	0	108.3	H32 L34 C61	H32-V52 HydrophobicContact CB-CG1 3.57Å; L34-V52 HydrophobicContact CD1-CG2 4.18Å; V52-C61 PolarHBondContact N-O 3.34Å; V52-C61 PolarHBondContact O-N 3.18Å
53	Y	72.5	Confident	76.2	Confident	50 Å²	50	41.9 Å²	41.9	20%	0.196	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	130.9	174.1	-179.4	-108.4	0	0	0	110.9	M35 A55 S59 Y82 Y84	M35-Y53 WeakPolarHBondContact SD-CB 3.49Å; M35-Y53 HydrophobicContact SD-CD2 4.44Å; M35-Y53 HydrophobicContact SD-CG 4.1Å; Y53-A55 HydrophobicContact CE1-CB 4.11Å; Y53-S59 WeakPolarHBondContact CD2-O 3.43Å; Y53-Y82 HydrophobicContact CD2-CD1 4.03Å; Y53-Y82 HydrophobicContact CE2-CD1 4.03Å; Y53-Y84 HydrophobicContact CD1-CE2 4.41Å; Y53-Y84 HydrophobicContact CE1-CD2 4.16Å; Y53-Y84 HydrophobicContact CE1-CE2 4.31Å; Y53-Y84 HydrophobicContact CE2-CD2 4.26Å; Y53-Y84 AromaticContact CZ-CD2 3.95Å
54	Q	70.9	Confident	76.9	Confident	70 Å²	70	41.8 Å²	41.8	33%	0.327	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	107.7	174.2	-72.8	-173.8	-5.7	0	0	109.5	S56 T57 Q58 S59 C61	Q54-S56 VanDerWaalsContact C-N 3.26Å; Q54-S56 PolarHBondContact O-N 2.61Å; Q54-T57 VanDerWaalsContact CB-OG1 3.27Å; Q54-T57 WeakPolarHBondContact CB-OG1 3.43Å; Q54-T57 PolarHBondContact O-N 3.13Å; Q54-T57 PolarHBondContact O-OG1 3.47Å; Q54-Q58 WeakPolarHBondContact O-CA 3.3Å; Q54-Q58 PolarHBondContact O-N 2.94Å; Q54-S59 PolarHBondContact N-O 2.93Å; Q54-S59 PolarHBondContact O-N 2.91Å; Q54-C61 PolarHBondContact OE1-SG 3.05Å
55	A	64.5	Low	77.7	Confident	76 Å²	76	40.9 Å²	40.9	63%	0.628	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-30.7	-179.2	0	0	0	0	0	112.9	Y53 T57	Y53-A55 HydrophobicContact CE1-CB 4.11Å; A55-T57 VanDerWaalsContact C-N 3.33Å; A55-T57 PolarHBondContact O-N 3.38Å
56	S	66.2	Low	78.1	Confident	111 Å²	111	39.4 Å²	39.4	78%	0.776	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-36.1	179.7	49	0	0	0	0	113.3	Q54	Q54-S56 VanDerWaalsContact C-N 3.26Å; Q54-S56 PolarHBondContact O-N 2.61Å
57	T	63.5	Low	78.2	Confident	70 Å²	70	39.4 Å²	39.4	43%	0.429	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-8.4	-176.5	43.9	0	0	0	0	112.6	Q54 A55 S59	Q54-T57 VanDerWaalsContact CB-OG1 3.27Å; Q54-T57 WeakPolarHBondContact CB-OG1 3.43Å; Q54-T57 PolarHBondContact O-N 3.13Å; Q54-T57 PolarHBondContact O-OG1 3.47Å; A55-T57 VanDerWaalsContact C-N 3.33Å; A55-T57 PolarHBondContact O-N 3.38Å; T57-S59 VanDerWaalsContact CB-OG 3.27Å; T57-S59 WeakPolarHBondContact CB-OG 3.25Å; T57-S59 PolarHBondContact O-N 2.79Å; T57-S59 PolarHBondContact OG1-OG 3.46Å
58	Q	69.4	Low	77.9	Confident	126 Å²	126	41.7 Å²	41.7	59%	0.589	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	38.5	-169.9	-60.2	-176.4	-12.9	0	0	112	Q54 Y82	Q54-Q58 WeakPolarHBondContact O-CA 3.3Å; Q54-Q58 PolarHBondContact O-N 2.94Å; Q58-Y82 PolarHBondContact O-N 3.41Å; Q58-Y82 VanDerWaalsContact O-O 3.12Å
59	S	71.4	Confident	77.5	Confident	4 Å²	4	42.8 Å²	42.8	3%	0.028	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.8	-177.8	63.2	0	0	0	0	111	Y53 Q54 T57 E79 I80	Y53-S59 WeakPolarHBondContact CD2-O 3.43Å; Q54-S59 PolarHBondContact N-O 2.93Å; Q54-S59 PolarHBondContact O-N 2.91Å; T57-S59 VanDerWaalsContact CB-OG 3.27Å; T57-S59 WeakPolarHBondContact CB-OG 3.25Å; T57-S59 PolarHBondContact O-N 2.79Å; T57-S59 PolarHBondContact OG1-OG 3.46Å; S59-E79 WeakPolarHBondContact CB-OE1 3.42Å; S59-E79 WeakPolarHBondContact OG-CG 3.4Å; S59-E79 PolarHBondContact OG-OE1 2.89Å; S59-I80 CarbonylContact C-O 3.53Å; S59-I80 VanDerWaalsContact CA-O 3.24Å; S59-I80 WeakPolarHBondContact CA-O 3.49Å; S59-I80 WeakPolarHBondContact CB-O 3.22Å
60	L	75.2	Confident	77.1	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.9	167.5	-177.3	69.7	0	0	0	107.5	M35 V36 L62 I80 Y82 P170	M35-L60 HydrophobicContact CB-CD1 4.1Å; M35-L60 HydrophobicContact SD-CD1 4.35Å; V36-L60 HydrophobicContact CG2-CD2 4.18Å; L60-L62 HydrophobicContact CD2-CD1 4.16Å; L60-L62 HydrophobicContact CD2-CD2 4.17Å; L60-L62 HydrophobicContact CD2-CG 4.17Å; L60-L62 HydrophobicContact CG-CD1 4.49Å; L60-L62 HydrophobicContact CG-CD2 4.39Å; L60-L62 HydrophobicContact CG-CG 4.13Å; L60-I80 PolarHBondContact N-O 3.47Å; L60-I80 PolarHBondContact O-N 2.8Å; L60-Y82 HydrophobicContact CB-CG 4.49Å; L60-P170 HydrophobicContact CD2-CG 4.4Å
61	C	80.6	Confident	76.9	Confident	24 Å²	24	49.9 Å²	49.9	16%	0.162	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	111.5	176.4	-68.4	0	0	0	0	108.8	G51 V52 Q54	G51-C61 WeakPolarHBondContact CA-O 3.24Å; V52-C61 PolarHBondContact N-O 3.34Å; V52-C61 PolarHBondContact O-N 3.18Å; Q54-C61 PolarHBondContact OE1-SG 3.05Å
62	L	83.2	Confident	77	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.8	-179.3	-69.5	155.1	0	0	0	110.6	V36 I49 E50 L60 N77 L78 I80 L169	V36-L62 HydrophobicContact CB-CD2 4.31Å; V36-L62 HydrophobicContact CG1-CD2 4.3Å; V36-L62 HydrophobicContact CG2-CD2 4.46Å; I49-L62 HydrophobicContact CG2-CD2 4.02Å; E50-L62 CarbonylContact O-C 3.55Å; E50-L62 WeakPolarHBondContact O-CA 3.21Å; L60-L62 HydrophobicContact CD2-CD1 4.16Å; L60-L62 HydrophobicContact CD2-CD2 4.17Å; L60-L62 HydrophobicContact CD2-CG 4.17Å; L60-L62 HydrophobicContact CG-CD1 4.49Å; L60-L62 HydrophobicContact CG-CD2 4.39Å; L60-L62 HydrophobicContact CG-CG 4.13Å; L62-N77 CarbonylContact O-C 3.55Å; L62-N77 WeakPolarHBondContact O-CA 3.34Å; L62-L78 HydrophobicContact CB-CB 4.3Å; L62-L78 PolarHBondContact N-O 3.18Å; L62-L78 PolarHBondContact O-N 3.32Å; L62-I80 HydrophobicContact CD1-CD1 3.38Å; L62-I80 HydrophobicContact CD1-CG1 4.08Å; L62-L169 HydrophobicContact CD1-CD1 3.43Å; L62-L169 VanDerWaalsContact CD1-CD1 3.43Å; L62-L169 HydrophobicContact CD1-CD2 4.27Å; L62-L169 HydrophobicContact CD1-CG 4.5Å
63	V	85.5	Confident	77.1	Confident	45 Å²	45	54.5 Å²	54.5	27%	0.273	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.7	170.6	-174.7	0	0	0	0	107.2	I49 E50 E65	I49-V63 WeakPolarHBondContact CA-O 3.46Å; E50-V63 PolarHBondContact N-O 3.48Å; E50-V63 PolarHBondContact O-N 3.16Å; V63-E65 HydrophobicContact CG1-CG 3.88Å
64	I	86.8	Confident	77.6	Confident	5 Å²	5	53 Å²	53	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	110.2	176.8	-55.4	171.4	0	0	0	107.5	I47 R48 I49 C75 I76 L78 I177 L186	I47-I64 HydrophobicContact CD1-CG2 3.94Å; I47-I64 HydrophobicContact CG1-CG2 4.13Å; R48-I64 CarbonylContact O-C 3.56Å; R48-I64 WeakPolarHBondContact O-CA 3.49Å; I49-I64 HydrophobicContact CG1-CG1 4.31Å; I49-I64 HydrophobicContact CG1-CG2 4.23Å; I49-I64 HydrophobicContact CG2-CG1 4.28Å; I64-C75 CarbonylContact O-C 3.54Å; I64-C75 VanDerWaalsContact O-CA 3.3Å; I64-C75 WeakPolarHBondContact O-CA 3.28Å; I64-I76 HydrophobicContact CB-CB 4.48Å; I64-I76 PolarHBondContact N-O 3.36Å; I64-I76 PolarHBondContact O-N 3.08Å; I64-L78 HydrophobicContact CD1-CD1 3.63Å; I64-L78 HydrophobicContact CD1-CG 4.47Å; I64-I177 HydrophobicContact CD1-CD1 3.84Å; I64-I177 HydrophobicContact CD1-CG1 4.35Å; I64-I177 HydrophobicContact CG2-CD1 4.27Å; I64-I177 HydrophobicContact CG2-CG2 4.32Å; I64-L186 HydrophobicContact CB-CD2 4.28Å; I64-L186 HydrophobicContact CG2-CD2 3.59Å
65	E	87.5	Confident	78.4	Confident	38 Å²	38	52.2 Å²	52.2	18%	0.178	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.6	179.7	-59.5	-175.5	157.3	0	0	110.6	I47 R48 V63 H67 L72	I47-E65 CarbonylContact C-O 3.59Å; I47-E65 WeakPolarHBondContact CA-O 3.31Å; R48-E65 HydrophobicContact CB-CB 4.41Å; R48-E65 PolarHBondContact N-O 3.08Å; R48-E65 PolarHBondContact O-N 2.96Å; V63-E65 HydrophobicContact CG1-CG 3.88Å; E65-H67 IonicContact OE2-CD2 2.84Å; E65-H67 IonicContact OE2-CE1 3.55Å; E65-H67 IonicContact OE2-NE2 3.56Å; E65-H67 PolarHBondContact OE2-NE2 2.94Å; E65-L72 HydrophobicContact CB-CD1 3.7Å; E65-L72 HydrophobicContact CG-CD1 3.98Å
66	L	86.2	Confident	79.5	Confident	0 Å²	0	50 Å²	50	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.9	166.7	-176	73.5	0	0	0	109	E45 I47 S73 S74 Y179 L186	E45-L66 HydrophobicContact CB-CD1 4.28Å; I47-L66 HydrophobicContact CB-CD1 4.34Å; L66-S73 WeakPolarHBondContact O-CB 3.35Å; L66-S73 PolarHBondContact O-N 2.8Å; L66-S74 PolarHBondContact N-O 3.48Å; L66-S74 PolarHBondContact O-N 3.06Å; L66-Y179 HydrophobicContact CD2-CD1 3.82Å; L66-Y179 HydrophobicContact CD2-CD2 3.46Å; L66-Y179 VanDerWaalsContact CD2-CD2 3.46Å; L66-Y179 HydrophobicContact CD2-CE1 4.23Å; L66-Y179 HydrophobicContact CD2-CE2 3.93Å; L66-Y179 HydrophobicContact CD2-CG 3.37Å; L66-L186 HydrophobicContact CB-CD1 4.18Å; L66-L186 HydrophobicContact CB-CD2 4.47Å; L66-L186 HydrophobicContact CD2-CD1 4.27Å
67	H	82.8	Confident	80.4	Confident	38 Å²	38	50.4 Å²	50.4	18%	0.176	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.4	176.7	-65.6	-100.5	0	0	0	109.9	E45 T46 E65 S71	E45-H67 CarbonylContact C-O 3.5Å; E45-H67 WeakPolarHBondContact CA-O 3.39Å; T46-H67 PolarHBondContact N-O 2.93Å; T46-H67 PolarHBondContact O-N 2.99Å; E65-H67 IonicContact OE2-CD2 2.84Å; E65-H67 IonicContact OE2-CE1 3.55Å; E65-H67 IonicContact OE2-NE2 3.56Å; E65-H67 PolarHBondContact OE2-NE2 2.94Å; H67-S71 CarbonylContact C-O 3.55Å; H67-S71 WeakPolarHBondContact CA-O 3.27Å
68	E	78.8	Confident	81.1	Confident	48 Å²	48	49.1 Å²	49.1	22%	0.224	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.5	166.7	-73.4	169.6	-131.5	0	0	109.5	N44 E45 S70 S71 S73 Y179	N44-E68 CarbonylContact O-C 3.6Å; N44-E68 WeakPolarHBondContact O-CA 3.31Å; E45-E68 HydrophobicContact CG-CG 4.06Å; E68-S70 PolarHBondContact O-N 2.88Å; E68-S70 VanDerWaalsContact O-N 3.14Å; E68-S71 PolarHBondContact N-O 2.77Å; E68-S71 PolarHBondContact O-N 2.83Å; E68-S71 VanDerWaalsContact O-O 3.11Å; E68-S71 PolarHBondContact O-OG 3.13Å; E68-S73 WeakPolarHBondContact CB-OG 3.36Å; E68-S73 VanDerWaalsContact CD-OG 3.27Å; E68-S73 WeakPolarHBondContact CG-OG 3.41Å; E68-S73 PolarHBondContact N-OG 3.41Å; E68-S73 PolarHBondContact OE1-OG 2.93Å; E68-Y179 WeakPolarHBondContact OE1-CE1 3.27Å; E68-Y179 VanDerWaalsContact OE1-CZ 3.25Å; E68-Y179 PolarHBondContact OE1-OH 3.22Å
69	N	77	Confident	81.5	Confident	114 Å²	114	48.7 Å²	48.7	61%	0.61	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	35.3	179.7	-61.9	-50.3	0	0	0	113.7	N44 S71	N44-N69 WeakPolarHBondContact CB-OD1 3.42Å; N44-N69 PolarHBondContact O-N 3.14Å; N69-S71 PolarHBondContact O-N 3.12Å
70	S	74.9	Confident	81.5	Confident	120 Å²	120	48.9 Å²	48.9	84%	0.839	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	12.5	-175.9	-34.3	0	0	0	0	115.2	E68	E68-S70 PolarHBondContact O-N 2.88Å; E68-S70 VanDerWaalsContact O-N 3.14Å
71	S	79.3	Confident	81.1	Confident	72 Å²	72	53.9 Å²	53.9	50%	0.503	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	135.2	170.4	58.5	0	0	0	0	110.1	H67 E68 N69 S73	H67-S71 CarbonylContact C-O 3.55Å; H67-S71 WeakPolarHBondContact CA-O 3.27Å; E68-S71 PolarHBondContact N-O 2.77Å; E68-S71 PolarHBondContact O-N 2.83Å; E68-S71 VanDerWaalsContact O-O 3.11Å; E68-S71 PolarHBondContact O-OG 3.13Å; N69-S71 PolarHBondContact O-N 3.12Å; S71-S73 PolarHBondContact O-N 3.05Å; S71-S73 VanDerWaalsContact O-N 3.11Å
72	L	82.3	Confident	80.3	Confident	95 Å²	95	54.1 Å²	54.1	50%	0.497	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	113.3	177.6	-177.6	71.9	0	0	0	109.5	E65	E65-L72 HydrophobicContact CB-CD1 3.7Å; E65-L72 HydrophobicContact CG-CD1 3.98Å
73	S	80.9	Confident	79	Confident	36 Å²	36	62.1 Å²	62.1	25%	0.252	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-49.1	176.1	-65.4	0	0	0	0	111.3	L66 E68 S71	L66-S73 WeakPolarHBondContact O-CB 3.35Å; L66-S73 PolarHBondContact O-N 2.8Å; E68-S73 WeakPolarHBondContact CB-OG 3.36Å; E68-S73 VanDerWaalsContact CD-OG 3.27Å; E68-S73 WeakPolarHBondContact CG-OG 3.41Å; E68-S73 PolarHBondContact N-OG 3.41Å; E68-S73 PolarHBondContact OE1-OG 2.93Å; S71-S73 PolarHBondContact O-N 3.05Å; S71-S73 VanDerWaalsContact O-N 3.11Å
74	S	83.7	Confident	77.3	Confident	19 Å²	19	63 Å²	63	13%	0.133	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	155.3	-175.7	-177.3	0	0	0	0	110.9	L66 L186	L66-S74 PolarHBondContact N-O 3.48Å; L66-S74 PolarHBondContact O-N 3.06Å; S74-L186 VanDerWaalsContact OG-CB 3.3Å; S74-L186 WeakPolarHBondContact OG-CB 3.45Å; S74-L186 PolarHBondContact OG-N 2.76Å
75	C	86.8	Confident	75.3	Confident	53 Å²	53	65.9 Å²	65.9	36%	0.358	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.7	179.6	-175.4	0	0	0	0	110.5	I64	I64-C75 CarbonylContact O-C 3.54Å; I64-C75 VanDerWaalsContact O-CA 3.3Å; I64-C75 WeakPolarHBondContact O-CA 3.28Å
76	I	86.6	Confident	73	Confident	30 Å²	30	70.4 Å²	70.4	15%	0.154	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.9	169.6	-59.9	173	0	0	0	108.3	I64 L78 L186 C188	I64-I76 HydrophobicContact CB-CB 4.48Å; I64-I76 PolarHBondContact N-O 3.36Å; I64-I76 PolarHBondContact O-N 3.08Å; I76-L78 HydrophobicContact CG2-CD2 4.06Å; I76-L78 HydrophobicContact CG2-CG 3.96Å; I76-L186 HydrophobicContact CD1-CB 3.86Å; I76-L186 HydrophobicContact CD1-CD2 3.84Å; I76-L186 HydrophobicContact CD1-CG 3.69Å; I76-L186 VanDerWaalsContact CD1-O 3.3Å; I76-L186 WeakPolarHBondContact CD1-O 3.22Å; I76-L186 HydrophobicContact CG1-CB 3.99Å; I76-L186 HydrophobicContact CG1-CD2 3.98Å; I76-L186 HydrophobicContact CG1-CG 4.17Å; I76-C188 HydrophobicContact CD1-CB 3.74Å
77	N	85.3	Confident	70.6	Confident	119 Å²	119	75.4 Å²	75.4	64%	0.636	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.8	168.7	-62.5	-32.4	0	0	0	109	L62	L62-N77 CarbonylContact O-C 3.55Å; L62-N77 WeakPolarHBondContact O-CA 3.34Å
78	L	79.9	Confident	68.4	Low	42 Å²	42	75.4 Å²	75.4	22%	0.22	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.9	175.7	-66.2	172.7	0	0	0	109	L62 I64 I76 C188	L62-L78 HydrophobicContact CB-CB 4.3Å; L62-L78 PolarHBondContact N-O 3.18Å; L62-L78 PolarHBondContact O-N 3.32Å; I64-L78 HydrophobicContact CD1-CD1 3.63Å; I64-L78 HydrophobicContact CD1-CG 4.47Å; I76-L78 HydrophobicContact CG2-CD2 4.06Å; I76-L78 HydrophobicContact CG2-CG 3.96Å; L78-C188 HydrophobicContact CD1-CB 4.44Å
79	E	76.3	Confident	66.4	Low	118 Å²	118	79.5 Å²	79.5	55%	0.551	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.2	171.8	-171.9	172.8	-177.3	0	0	108.8	S59	S59-E79 WeakPolarHBondContact CB-OE1 3.42Å; S59-E79 WeakPolarHBondContact OG-CG 3.4Å; S59-E79 PolarHBondContact OG-OE1 2.89Å
80	I	71.5	Confident	64.5	Low	7 Å²	7	78 Å²	78	4%	0.036	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.6	-174.5	-60.2	-174.3	0	0	0	109.5	S59 L60 L62 Y82 L169 N171 Y175	S59-I80 CarbonylContact C-O 3.53Å; S59-I80 VanDerWaalsContact CA-O 3.24Å; S59-I80 WeakPolarHBondContact CA-O 3.49Å; S59-I80 WeakPolarHBondContact CB-O 3.22Å; L60-I80 PolarHBondContact N-O 3.47Å; L60-I80 PolarHBondContact O-N 2.8Å; L62-I80 HydrophobicContact CD1-CD1 3.38Å; L62-I80 HydrophobicContact CD1-CG1 4.08Å; I80-Y82 PolarHBondContact O-N 3.46Å; I80-L169 HydrophobicContact CD1-CD1 3.2Å; I80-L169 HydrophobicContact CD1-CG 4.47Å; I80-N171 HydrophobicContact CG2-CB 3.62Å; I80-N171 WeakPolarHBondContact CG2-ND2 3.4Å; I80-Y175 HydrophobicContact CD1-CE2 4.08Å
81	P	68.2	Low	62.7	Low	107 Å²	107	77.2 Å²	77.2	70%	0.695	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	123.5	172.4	-20.2	30.9	0	0	0	110.3
82	Y	62.5	Low	60.8	Low	29 Å²	29	77.8 Å²	77.8	11%	0.114	45%	0.449	C	S	.	.			trans	-129.6	102.1	179.4	-172	-108.2	0	0	0	109.7	M35 Y53 Q58 L60 I80 Y84 P170	M35-Y82 HydrophobicContact CE-CE1 4.44Å; M35-Y82 HydrophobicContact SD-CE1 4.39Å; Y53-Y82 HydrophobicContact CD2-CD1 4.03Å; Y53-Y82 HydrophobicContact CE2-CD1 4.03Å; Q58-Y82 PolarHBondContact O-N 3.41Å; Q58-Y82 VanDerWaalsContact O-O 3.12Å; L60-Y82 HydrophobicContact CB-CG 4.49Å; I80-Y82 PolarHBondContact O-N 3.46Å; Y82-Y84 HydrophobicContact CD1-CD2 4.35Å; Y82-Y84 HydrophobicContact CE1-CD2 4.1Å; Y82-Y84 HydrophobicContact CE1-CE2 4.29Å; Y82-Y84 PolarHBondContact O-N 3.25Å; Y82-P170 HydrophobicContact CD2-CB 4.36Å; Y82-P170 HydrophobicContact CD2-CG 3.88Å; Y82-P170 HydrophobicContact CE2-CB 3.71Å; Y82-P170 HydrophobicContact CE2-CG 3.58Å
83	Q	55.8	Low	58.9	Low	170 Å²	170	80.9 Å²	80.9	79%	0.794	46%	0.461	S	S	*	.			trans	-80.1	113.1	173.2	-74.7	-175.7	-6.7	0	0	109.3
84	Y	49.7	Very low	57.3	Low	64 Å²	64	80.2 Å²	80.2	25%	0.251	46%	0.455	S	S	.	.			trans	-59.3	127.7	165.1	-119.9	-87.8	0	0	0	108.3	M35 Y53 Y82 S86 T94	M35-Y84 HydrophobicContact CE-CE2 3.73Å; M35-Y84 WeakPolarHBondContact CE-OH 3.06Å; M35-Y84 HydrophobicContact SD-CE2 4.47Å; Y53-Y84 HydrophobicContact CD1-CE2 4.41Å; Y53-Y84 HydrophobicContact CE1-CD2 4.16Å; Y53-Y84 HydrophobicContact CE1-CE2 4.31Å; Y53-Y84 HydrophobicContact CE2-CD2 4.26Å; Y53-Y84 AromaticContact CZ-CD2 3.95Å; Y82-Y84 HydrophobicContact CD1-CD2 4.35Å; Y82-Y84 HydrophobicContact CE1-CD2 4.1Å; Y82-Y84 HydrophobicContact CE1-CE2 4.29Å; Y82-Y84 PolarHBondContact O-N 3.25Å; Y84-S86 PolarHBondContact O-N 2.94Å; Y84-T94 HydrophobicContact CE1-CG2 4.46Å; Y84-T94 PolarHBondContact OH-OG1 3.41Å
85	P	46.2	Very low	55.8	Low	64 Å²	64	84.7 Å²	84.7	42%	0.416	48%	0.475	S	S	.	.			trans	-60.3	110.8	168.3	21.4	-26.6	0	0	0	107.5	S87 S88	P85-S87 PolarHBondContact O-N 2.81Å; P85-S88 PolarHBondContact O-N 2.88Å; P85-S88 PolarHBondContact O-OG 3.13Å; P85-S88 VanDerWaalsContact O-OG 3.11Å
86	S	38	Very low	54.6	Low	133 Å²	133	87.4 Å²	87.4	93%	0.93	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-10.1	-177.5	41.3	0	0	0	0	113.8	Y84	Y84-S86 PolarHBondContact O-N 2.94Å
87	S	37.2	Very low	53.6	Low	105 Å²	105	86.9 Å²	86.9	73%	0.734	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-8.9	176.7	55.6	0	0	0	0	115.2	P85 T89	P85-S87 PolarHBondContact O-N 2.81Å; S87-T89 PolarHBondContact O-N 3.31Å
88	S	36.5	Very low	52.8	Low	39 Å²	39	84.9 Å²	84.9	27%	0.273	48%	0.476	S	S	.	.			trans	-88.6	95.5	179.2	64.2	0	0	0	0	111	P85 N90	P85-S88 PolarHBondContact O-N 2.88Å; P85-S88 PolarHBondContact O-OG 3.13Å; P85-S88 VanDerWaalsContact O-OG 3.11Å; S88-N90 PolarHBondContact O-N 2.79Å
89	T	37	Very low	52.3	Low	134 Å²	134	83.3 Å²	83.3	82%	0.822	47%	0.468	S	S	*	.			trans	-68.1	-9.1	169.4	46	0	0	0	0	113.3	S87	S87-T89 PolarHBondContact O-N 3.31Å
90	N	35.4	Very low	52.4	Low	81 Å²	81	79.9 Å²	79.9	43%	0.433	45%	0.452	S	S	.	.			trans	-99.9	95.2	-179.8	-68.5	-12.8	0	0	0	110.3	S88 S92 E93	S88-N90 PolarHBondContact O-N 2.79Å; N90-S92 PolarHBondContact O-N 3.03Å; N90-E93 PolarHBondContact O-N 3.11Å
91	L	37.7	Very low	53	Low	105 Å²	105	80 Å²	80	55%	0.55	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-54.3	-29.1	167	-90.3	107.8	0	0	0	112.2	E93 T94	L91-E93 VanDerWaalsContact C-N 3.34Å; L91-E93 PolarHBondContact O-N 3.44Å; L91-T94 PolarHBondContact O-N 3.15Å; L91-T94 PolarHBondContact O-OG1 3.05Å
92	S	38.9	Very low	53.9	Low	84 Å²	84	74.9 Å²	74.9	59%	0.587	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-67.4	-25.9	-173.6	60.9	0	0	0	0	114.9	N90 T94	N90-S92 PolarHBondContact O-N 3.03Å; S92-T94 PolarHBondContact O-N 3.02Å
93	E	43.6	Very low	55.1	Low	159 Å²	159	73.5 Å²	73.5	74%	0.743	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-77.3	-13	179.7	-77.7	-175.8	-177.1	0	0	113.1	N90 L91	N90-E93 PolarHBondContact O-N 3.11Å; L91-E93 VanDerWaalsContact C-N 3.34Å; L91-E93 PolarHBondContact O-N 3.44Å
94	T	46.3	Very low	56.5	Low	22 Å²	22	65.4 Å²	65.4	14%	0.135	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-6.4	-177.4	44	0	0	0	0	114.1	Y84 L91 S92 N96	Y84-T94 HydrophobicContact CE1-CG2 4.46Å; Y84-T94 PolarHBondContact OH-OG1 3.41Å; L91-T94 PolarHBondContact O-N 3.15Å; L91-T94 PolarHBondContact O-OG1 3.05Å; S92-T94 PolarHBondContact O-N 3.02Å; T94-N96 PolarHBondContact O-N 3.32Å
95	E	52.4	Low	58.2	Low	114 Å²	114	62.3 Å²	62.3	53%	0.533	36%	0.364	S	S	.	.	S	Bend	trans	-66.4	127.9	168.5	-73.2	-177.8	-174.9	0	0	109.2
96	N	61.7	Low	59.9	Low	110 Å²	110	60.3 Å²	60.3	59%	0.588	35%	0.35	S	S	*	.	S	Bend	trans	64.3	71.6	-176.9	-59.5	-38.8	0	0	0	115.1	M35 T94 P98	M35-N96 CarbonylContact O-C 3.6Å; M35-N96 VanDerWaalsContact O-CA 3.27Å; M35-N96 WeakPolarHBondContact O-CA 3.41Å; M35-N96 PolarHBondContact O-N 3.21Å; T94-N96 PolarHBondContact O-N 3.32Å; N96-P98 VanDerWaalsContact O-CD 3.26Å; N96-P98 WeakPolarHBondContact O-CD 3.47Å; N96-P98 VanDerWaalsContact O-N 3.12Å
97	I	66.5	Low	61.6	Low	19 Å²	19	60.2 Å²	60.2	10%	0.097	33%	0.332	C	S	.	.			trans	-58.1	117	166.5	-56	179.3	0	0	0	107.8	M35 V36 I99 P170 P199	M35-I97 PolarHBondContact O-N 2.88Å; V36-I97 HydrophobicContact CG2-CB 4.09Å; V36-I97 HydrophobicContact CG2-CD1 4.33Å; I97-I99 HydrophobicContact CG2-CD1 4.47Å; I97-I99 HydrophobicContact CG2-CG1 4.12Å; I97-I99 WeakPolarHBondContact O-CG1 3.3Å; I97-I99 PolarHBondContact O-N 2.85Å; I97-P170 HydrophobicContact CD1-CB 4.32Å; I97-P170 HydrophobicContact CD1-CG 3.84Å; I97-P199 HydrophobicContact CG2-CB 4.39Å; I97-P199 HydrophobicContact CG2-CG 3.89Å
98	P	66.7	Low	63.2	Low	77 Å²	77	60.9 Å²	60.9	50%	0.5	33%	0.328	S	S	.	.			trans	-75.1	103	-175.8	29	-32.7	0	0	0	109.1	N96 V201	N96-P98 VanDerWaalsContact O-CD 3.26Å; N96-P98 WeakPolarHBondContact O-CD 3.47Å; N96-P98 VanDerWaalsContact O-N 3.12Å; P98-V201 HydrophobicContact CG-CG1 4.22Å
99	I	70.9	Confident	64.9	Low	8 Å²	8	61.6 Å²	61.6	4%	0.041	33%	0.327	C	S	.	.			trans	-102.9	112.6	177.5	-53.7	-155.4	0	0	0	108.5	V36 T38 I97 C167 L169	V36-I99 HydrophobicContact CB-CD1 4.23Å; V36-I99 HydrophobicContact CG1-CB 4.43Å; V36-I99 HydrophobicContact CG1-CD1 3.38Å; V36-I99 HydrophobicContact CG1-CG1 3.84Å; V36-I99 HydrophobicContact CG2-CD1 3.74Å; V36-I99 HydrophobicContact CG2-CG1 4.4Å; T38-I99 PolarHBondContact OG1-O 3.39Å; I97-I99 HydrophobicContact CG2-CD1 4.47Å; I97-I99 HydrophobicContact CG2-CG1 4.12Å; I97-I99 WeakPolarHBondContact O-CG1 3.3Å; I97-I99 PolarHBondContact O-N 2.85Å; I99-C167 WeakPolarHBondContact CG2-SG 3.34Å; I99-L169 HydrophobicContact CD1-CD2 3.32Å; I99-L169 HydrophobicContact CG2-CD2 4.44Å
100	H	78.5	Confident	66.4	Low	47 Å²	47	57.2 Å²	57.2	22%	0.218	30%	0.296	C	S	.	.			trans	-99	116.1	176.6	-156.4	-56.4	0	0	0	110.2	S136 S137 V201 W203	H100-S136 PolarHBondContact CE1-OG 2.86Å; H100-S136 PolarHBondContact NE2-OG 3.22Å; H100-S137 PolarHBondContact CE1-OG 3.47Å; H100-S137 VanDerWaalsContact CE1-OG 3.22Å; H100-S137 PolarHBondContact ND1-OG 3.17Å; H100-V201 WeakPolarHBondContact CB-O 3.16Å; H100-V201 PolarHBondContact CD2-O 2.8Å; H100-W203 PolarHBondContact O-NE1 3.2Å
101	I	83.4	Confident	67.8	Low	8 Å²	8	58.9 Å²	58.9	4%	0.041	30%	0.303	C	S	.	.			trans	-72.3	140.5	175	-56.3	179	0	0	0	109	T38 E40 I47 I49 S137 R165 L166	T38-I101 HydrophobicContact CG2-CD1 3.38Å; T38-I101 HydrophobicContact CG2-CG1 3.52Å; E40-I101 HydrophobicContact CB-CD1 4.04Å; E40-I101 WeakPolarHBondContact OE2-CG2 3.48Å; I47-I101 HydrophobicContact CG2-CD1 3.65Å; I49-I101 HydrophobicContact CD1-CD1 3.82Å; I49-I101 HydrophobicContact CD1-CG1 4.21Å; I49-I101 HydrophobicContact CG1-CD1 4.36Å; I101-S137 WeakPolarHBondContact O-CB 3.13Å; I101-S137 PolarHBondContact O-OG 2.94Å; I101-R165 HydrophobicContact CG2-CB 3.77Å; I101-R165 HydrophobicContact CG2-CG 4.28Å; I101-L166 WeakPolarHBondContact CA-O 3.39Å
102	C	87.3	Confident	69.2	Low	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.8	170	178.2	0	0	0	0	109.4	R165 L166 W203	C102-R165 CarbonylContact O-C 3.42Å; C102-R165 WeakPolarHBondContact O-CA 3.42Å; C102-L166 HydrophobicContact CB-CB 4.2Å; C102-L166 PolarHBondContact N-O 3.12Å; C102-L166 PolarHBondContact O-N 2.84Å; C102-W203 HydrophobicContact CB-CB 4.07Å; C102-W203 HydrophobicContact CB-CD2 3.63Å; C102-W203 HydrophobicContact CB-CE3 4.34Å; C102-W203 HydrophobicContact CB-CG 3.5Å; C102-W203 VanDerWaalsContact CB-CG 3.5Å; C102-W203 HydrophobicContact CB-CZ2 4.46Å
103	T	86.7	Confident	70.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.3	178.8	-65	0	0	0	0	109.8	E40 I42 S137 I138 F139 L163 R165	E40-T103 PolarHBondContact OE1-OG1 3.11Å; E40-T103 VanDerWaalsContact OE1-OG1 3.13Å; E40-T103 PolarHBondContact OE2-OG1 3.31Å; I42-T103 HydrophobicContact CD1-CG2 3.61Å; I42-T103 VanDerWaalsContact CD1-OG1 3.31Å; I42-T103 WeakPolarHBondContact CD1-OG1 3.5Å; T103-S137 PolarHBondContact N-O 2.81Å; T103-I138 HydrophobicContact CG2-CG2 4.18Å; T103-I138 CarbonylContact O-C 3.51Å; T103-I138 VanDerWaalsContact O-CA 3.29Å; T103-I138 WeakPolarHBondContact O-CA 3.5Å; T103-F139 PolarHBondContact O-N 2.93Å; T103-L163 HydrophobicContact CG2-CD1 3.67Å; T103-L163 HydrophobicContact CG2-CD2 4.1Å; T103-L163 HydrophobicContact CG2-CG 3.76Å; T103-R165 HydrophobicContact CG2-CG 4.46Å
104	L	86.8	Confident	71.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.6	170.8	-56.3	179.7	0	0	0	109	F139 F145 L149 L163 V164 L166 F205 L240	L104-F139 WeakPolarHBondContact CA-O 3.33Å; L104-F139 HydrophobicContact CD2-CB 3.82Å; L104-F139 HydrophobicContact CD2-CD2 4.02Å; L104-F139 HydrophobicContact CD2-CG 4.41Å; L104-F145 HydrophobicContact CD1-CD1 4.24Å; L104-F145 HydrophobicContact CD1-CE1 3.98Å; L104-L149 HydrophobicContact CD1-CD1 3.61Å; L104-L163 CarbonylContact O-C 3.59Å; L104-L163 WeakPolarHBondContact O-CA 3.44Å; L104-V164 HydrophobicContact CB-CG1 3.75Å; L104-V164 HydrophobicContact CD1-CG1 4.41Å; L104-V164 HydrophobicContact CG-CG1 4.48Å; L104-V164 PolarHBondContact N-O 3.38Å; L104-V164 PolarHBondContact O-N 2.9Å; L104-L166 HydrophobicContact CD1-CD1 3.71Å; L104-L166 HydrophobicContact CD1-CG 4.38Å; L104-L166 HydrophobicContact CG-CD1 4.35Å; L104-F205 HydrophobicContact CD2-CD2 4.47Å; L104-L240 HydrophobicContact CD1-CD2 4.28Å; L104-L240 HydrophobicContact CD2-CD1 4.25Å
105	C	85.2	Confident	72	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	161.8	176.5	62.6	0	0	0	0	111.1	H109 F110 F139 A140 C141 D162 L163	C105-H109 HydrophobicContact CB-CB 4.45Å; C105-F110 VanDerWaalsContact SG-CA 3.57Å; C105-F110 WeakPolarHBondContact SG-CB 3.28Å; C105-F110 VanDerWaalsContact SG-CD2 3.59Å; C105-F139 PolarHBondContact N-O 3.26Å; C105-A140 CarbonylContact O-C 3.54Å; C105-A140 VanDerWaalsContact O-CA 3.23Å; C105-A140 WeakPolarHBondContact O-CA 3.5Å; C105-C141 PolarHBondContact O-N 2.99Å; C105-D162 VanDerWaalsContact CA-O 3.31Å; C105-D162 WeakPolarHBondContact CA-O 3.46Å; C105-D162 WeakPolarHBondContact CB-O 3.25Å; C105-L163 HydrophobicContact CB-CB 4.24Å; C105-L163 HydrophobicContact CB-CD1 4.3Å; C105-L163 HydrophobicContact CB-CG 4.31Å
106	D	81.9	Confident	72.1	Confident	22 Å²	22	51.8 Å²	51.8	12%	0.118	26%	0.263	C	S	.	.			trans	-66	166.6	172.8	95.2	-28.7	0	0	0	110.8	N108 H109 F110 D162	D106-N108 VanDerWaalsContact C-N 3.31Å; D106-N108 PolarHBondContact O-N 3.3Å; D106-N108 PolarHBondContact OD1-N 3.42Å; D106-H109 WeakPolarHBondContact OD1-CA 3.5Å; D106-H109 WeakPolarHBondContact OD1-CB 3.27Å; D106-H109 PolarHBondContact OD1-N 3.37Å; D106-F110 VanDerWaalsContact O-CB 3.28Å; D106-F110 WeakPolarHBondContact O-CB 3.19Å; D106-F110 PolarHBondContact O-N 3.35Å; D106-D162 PolarHBondContact N-O 2.97Å
107	K	72.7	Confident	71.4	Confident	130 Å²	130	50.6 Å²	50.6	57%	0.565	26%	0.262	S	S	*	.	H	α-helix	trans	-64	-34.5	-177.8	-71.7	179.6	-177.3	171	0	113	M111 A140	K107-M111 WeakPolarHBondContact O-CG 3.49Å; K107-M111 PolarHBondContact O-N 2.92Å; K107-A140 HydrophobicContact CG-CB 4.42Å
108	N	71.5	Confident	70.5	Confident	119 Å²	119	56 Å²	56	64%	0.636	29%	0.286	S	S	*	.	H	α-helix	trans	-74.6	-44.7	-175.5	-66.6	-30.2	0	0	0	110.8	D106 M111 N112	D106-N108 VanDerWaalsContact C-N 3.31Å; D106-N108 PolarHBondContact O-N 3.3Å; D106-N108 PolarHBondContact OD1-N 3.42Å; N108-M111 PolarHBondContact O-N 3.17Å; N108-N112 PolarHBondContact O-N 2.93Å
109	H	71.3	Confident	69.4	Low	55 Å²	55	54.3 Å²	54.3	26%	0.255	27%	0.272	S	S	.	.	H	α-helix	trans	-66.6	-37.5	176.6	-159.7	92.3	0	0	0	111.3	C105 D106 M111 N112 I113 D162	C105-H109 HydrophobicContact CB-CB 4.45Å; D106-H109 WeakPolarHBondContact OD1-CA 3.5Å; D106-H109 WeakPolarHBondContact OD1-CB 3.27Å; D106-H109 PolarHBondContact OD1-N 3.37Å; H109-M111 VanDerWaalsContact C-N 3.29Å; H109-M111 PolarHBondContact O-N 3.29Å; H109-N112 WeakPolarHBondContact O-CB 3.38Å; H109-N112 PolarHBondContact O-N 2.69Å; H109-N112 VanDerWaalsContact O-N 3.09Å; H109-I113 WeakPolarHBondContact O-CG1 3.41Å; H109-I113 PolarHBondContact O-N 2.77Å; H109-D162 HydrophobicContact CB-CB 4.35Å
110	F	68.9	Low	67.6	Low	41 Å²	41	59.2 Å²	59.2	18%	0.18	29%	0.294	C	S	.	.	H	α-helix	trans	-55.7	-43.3	171.9	-171.2	-113.9	0	0	0	112.4	C105 D106 N112 I113 I114 L128 I138 A140	C105-F110 VanDerWaalsContact SG-CA 3.57Å; C105-F110 WeakPolarHBondContact SG-CB 3.28Å; C105-F110 VanDerWaalsContact SG-CD2 3.59Å; D106-F110 VanDerWaalsContact O-CB 3.28Å; D106-F110 WeakPolarHBondContact O-CB 3.19Å; D106-F110 PolarHBondContact O-N 3.35Å; F110-N112 VanDerWaalsContact C-N 3.33Å; F110-N112 PolarHBondContact O-N 3.32Å; F110-I113 PolarHBondContact O-N 2.78Å; F110-I114 HydrophobicContact CD1-CD1 3.38Å; F110-I114 HydrophobicContact CD2-CD1 4.22Å; F110-I114 HydrophobicContact CE1-CD1 3.12Å; F110-I114 HydrophobicContact CE1-CG1 4.4Å; F110-I114 HydrophobicContact CE2-CD1 4.01Å; F110-I114 HydrophobicContact CG-CD1 3.95Å; F110-I114 HydrophobicContact CZ-CD1 3.46Å; F110-I114 VanDerWaalsContact CZ-CD1 3.46Å; F110-I114 HydrophobicContact CZ-CG1 4.41Å; F110-I114 WeakPolarHBondContact O-CD1 3.23Å; F110-I114 WeakPolarHBondContact O-CG1 3.42Å; F110-I114 PolarHBondContact O-N 3.2Å; F110-L128 HydrophobicContact CE1-CD2 4.26Å; F110-L128 HydrophobicContact CZ-CD2 4.49Å; F110-I138 HydrophobicContact CD2-CG2 3.97Å; F110-I138 HydrophobicContact CE2-CB 4.46Å; F110-I138 HydrophobicContact CE2-CG2 3.86Å; F110-A140 HydrophobicContact CB-CB 3.77Å; F110-A140 HydrophobicContact CD1-CB 3.79Å; F110-A140 HydrophobicContact CD2-CB 4.03Å; F110-A140 HydrophobicContact CE1-CB 4.33Å; F110-A140 HydrophobicContact CG-CB 3.61Å
111	M	65.5	Low	65.4	Low	117 Å²	117	63.2 Å²	63.2	58%	0.576	32%	0.322	S	S	*	.	H	α-helix	trans	-66.2	-36.4	177.4	-65.8	-65.4	-85.9	0	0	111.8	K107 N108 H109 I114 T115	K107-M111 WeakPolarHBondContact O-CG 3.49Å; K107-M111 PolarHBondContact O-N 2.92Å; N108-M111 PolarHBondContact O-N 3.17Å; H109-M111 VanDerWaalsContact C-N 3.29Å; H109-M111 PolarHBondContact O-N 3.29Å; M111-I114 PolarHBondContact O-N 2.85Å; M111-T115 WeakPolarHBondContact O-CB 3.26Å; M111-T115 VanDerWaalsContact O-CG2 3.29Å; M111-T115 WeakPolarHBondContact O-CG2 3.48Å; M111-T115 PolarHBondContact O-N 3.17Å; M111-T115 PolarHBondContact O-OG1 2.96Å
112	N	66.3	Low	62.7	Low	101 Å²	101	65.8 Å²	65.8	54%	0.54	34%	0.341	S	S	.	.	H	α-helix	trans	-65	-40.8	174.4	-69.5	-15.2	0	0	0	112.1	N108 H109 F110 T115 Y116	N108-N112 PolarHBondContact O-N 2.93Å; H109-N112 WeakPolarHBondContact O-CB 3.38Å; H109-N112 PolarHBondContact O-N 2.69Å; H109-N112 VanDerWaalsContact O-N 3.09Å; F110-N112 VanDerWaalsContact C-N 3.33Å; F110-N112 PolarHBondContact O-N 3.32Å; N112-T115 WeakPolarHBondContact CA-OG1 3.31Å; N112-T115 PolarHBondContact O-N 3.49Å; N112-T115 PolarHBondContact O-OG1 3.47Å; N112-Y116 PolarHBondContact O-N 2.94Å
113	I	66.2	Low	59.7	Low	13 Å²	13	70.6 Å²	70.6	7%	0.067	37%	0.371	C	S	.	.	H	α-helix	trans	-61.2	-50.3	175.8	-68.6	166.5	0	0	0	110	I42 H109 F110 T115 Y116 H119 I138 L163	I42-I113 HydrophobicContact CG2-CB 4.29Å; I42-I113 HydrophobicContact CG2-CD1 3.75Å; I42-I113 HydrophobicContact CG2-CG1 3.76Å; I42-I113 HydrophobicContact CG2-CG2 3.54Å; H109-I113 WeakPolarHBondContact O-CG1 3.41Å; H109-I113 PolarHBondContact O-N 2.77Å; F110-I113 PolarHBondContact O-N 2.78Å; I113-T115 VanDerWaalsContact C-N 3.3Å; I113-T115 PolarHBondContact O-N 2.8Å; I113-Y116 VanDerWaalsContact O-CB 3.32Å; I113-Y116 WeakPolarHBondContact O-CB 3.48Å; I113-Y116 PolarHBondContact O-N 2.87Å; I113-H119 PolarHBondContact O-CD2 2.9Å; I113-I138 HydrophobicContact CG2-CD1 4.49Å; I113-L163 HydrophobicContact CD1-CD1 3.88Å
114	I	63.7	Low	56.7	Low	64 Å²	64	76.3 Å²	76.3	33%	0.328	41%	0.405	S	S	.	.	H	α-helix	trans	-67.7	-31.3	-176.1	-66.2	157.6	0	0	0	112.4	F110 M111 Y116 L128	F110-I114 HydrophobicContact CD1-CD1 3.38Å; F110-I114 HydrophobicContact CD2-CD1 4.22Å; F110-I114 HydrophobicContact CE1-CD1 3.12Å; F110-I114 HydrophobicContact CE1-CG1 4.4Å; F110-I114 HydrophobicContact CE2-CD1 4.01Å; F110-I114 HydrophobicContact CG-CD1 3.95Å; F110-I114 HydrophobicContact CZ-CD1 3.46Å; F110-I114 VanDerWaalsContact CZ-CD1 3.46Å; F110-I114 HydrophobicContact CZ-CG1 4.41Å; F110-I114 WeakPolarHBondContact O-CD1 3.23Å; F110-I114 WeakPolarHBondContact O-CG1 3.42Å; F110-I114 PolarHBondContact O-N 3.2Å; M111-I114 PolarHBondContact O-N 2.85Å; I114-Y116 VanDerWaalsContact C-N 3.28Å; I114-Y116 PolarHBondContact O-N 2.83Å; I114-L128 HydrophobicContact CD1-CD2 3.36Å; I114-L128 HydrophobicContact CG1-CD2 4.2Å; I114-L128 HydrophobicContact CG2-CD2 4.27Å
115	T	57	Low	53.7	Low	72 Å²	72	85.6 Å²	85.6	44%	0.442	45%	0.446	S	S	.	.	H	α-helix	trans	-79.5	-9.5	-179.8	49.5	0	0	0	0	113.6	M111 N112 I113 Q120	M111-T115 WeakPolarHBondContact O-CB 3.26Å; M111-T115 VanDerWaalsContact O-CG2 3.29Å; M111-T115 WeakPolarHBondContact O-CG2 3.48Å; M111-T115 PolarHBondContact O-N 3.17Å; M111-T115 PolarHBondContact O-OG1 2.96Å; N112-T115 WeakPolarHBondContact CA-OG1 3.31Å; N112-T115 PolarHBondContact O-N 3.49Å; N112-T115 PolarHBondContact O-OG1 3.47Å; I113-T115 VanDerWaalsContact C-N 3.3Å; I113-T115 PolarHBondContact O-N 2.8Å; T115-Q120 PolarHBondContact O-NE2 3.2Å; T115-Q120 VanDerWaalsContact O-NE2 3.07Å
116	Y	55.3	Low	50.8	Low	84 Å²	84	89.5 Å²	89.5	33%	0.329	48%	0.478	S	S	.	.	S	Bend	trans	-60.5	137.5	-177.2	-145	-97.7	0	0	0	112.1	N112 I113 I114 Q118 H119 Q120	N112-Y116 PolarHBondContact O-N 2.94Å; I113-Y116 VanDerWaalsContact O-CB 3.32Å; I113-Y116 WeakPolarHBondContact O-CB 3.48Å; I113-Y116 PolarHBondContact O-N 2.87Å; I114-Y116 VanDerWaalsContact C-N 3.28Å; I114-Y116 PolarHBondContact O-N 2.83Å; Y116-Q118 VanDerWaalsContact C-N 3.31Å; Y116-Q118 HydrophobicContact CD1-CB 4.47Å; Y116-Q118 PolarHBondContact O-N 3.34Å; Y116-H119 WeakPolarHBondContact O-CA 3.45Å; Y116-H119 WeakPolarHBondContact O-CB 3.38Å; Y116-H119 PolarHBondContact O-N 2.87Å; Y116-Q120 PolarHBondContact O-N 3.47Å
117	P	46.6	Very low	48.3	Very low	86 Å²	86	91.7 Å²	91.7	56%	0.558	49%	0.49	S	S	*	.	H	α-helix	trans	-62.4	-30.1	-170.9	18.8	-30.7	0	0	0	114.7	H119 Q120	P117-H119 PolarHBondContact O-N 3.31Å; P117-Q120 WeakPolarHBondContact O-CB 3.46Å; P117-Q120 PolarHBondContact O-N 2.97Å
118	Q	48.2	Very low	46.3	Very low	131 Å²	131	90.8 Å²	90.8	61%	0.612	49%	0.49	S	S	*	.	H	α-helix	trans	-63	-30.3	173	-79.8	-175	-11	0	0	112.2	G43 Y116 T121	G43-Q118 PolarHBondContact O-OE1 3.44Å; Y116-Q118 VanDerWaalsContact C-N 3.31Å; Y116-Q118 HydrophobicContact CD1-CB 4.47Å; Y116-Q118 PolarHBondContact O-N 3.34Å; Q118-T121 PolarHBondContact O-OG1 3.05Å
119	H	43	Very low	44.4	Very low	43 Å²	43	86 Å²	86	20%	0.199	47%	0.466	C	S	.	.	H	α-helix	trans	-80.8	-13.1	173	-63.8	-64.9	0	0	0	113.5	I113 Y116 P117 S122 F135	I113-H119 PolarHBondContact O-CD2 2.9Å; Y116-H119 WeakPolarHBondContact O-CA 3.45Å; Y116-H119 WeakPolarHBondContact O-CB 3.38Å; Y116-H119 PolarHBondContact O-N 2.87Å; P117-H119 PolarHBondContact O-N 3.31Å; H119-S122 PolarHBondContact O-OG 3.4Å; H119-F135 AromaticContact CE1-CE1 3.65Å
120	Q	33.7	Very low	42.3	Very low	111 Å²	111	86.2 Å²	86.2	52%	0.519	47%	0.474	S	S	.	.	H	α-helix	trans	-77.3	-21	178.7	-68.2	-175.5	4.5	0	0	113.7	T115 Y116 P117 S122	T115-Q120 PolarHBondContact O-NE2 3.2Å; T115-Q120 VanDerWaalsContact O-NE2 3.07Å; Y116-Q120 PolarHBondContact O-N 3.47Å; P117-Q120 WeakPolarHBondContact O-CB 3.46Å; P117-Q120 PolarHBondContact O-N 2.97Å; Q120-S122 PolarHBondContact O-N 2.92Å
121	T	31.3	Very low	40.3	Very low	131 Å²	131	87.6 Å²	87.6	80%	0.804	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-15.2	177	57.7	0	0	0	0	113.1	Q118 T123	Q118-T121 PolarHBondContact O-OG1 3.05Å; T121-T123 PolarHBondContact O-N 2.77Å
122	S	27.5	Very low	38.4	Very low	61 Å²	61	85.3 Å²	85.3	43%	0.427	48%	0.481	S	S	.	.	S	Bend	trans	-88.1	85.4	160.4	61.7	0	0	0	0	110	H119 Q120	H119-S122 PolarHBondContact O-OG 3.4Å; Q120-S122 PolarHBondContact O-N 2.92Å
123	T	23.5	Very low	36.8	Very low	102 Å²	102	86.1 Å²	86.1	63%	0.626	50%	0.495	S	S	*	.			trans	32.3	94.5	151.8	54.8	0	0	0	0	117.8	T121	T121-T123 PolarHBondContact O-N 2.77Å
124	V	23.8	Very low	35.4	Very low	120 Å²	120	89 Å²	89	73%	0.727	52%	0.516	S	S	*	.			trans	54.1	87.1	133	-169.1	0	0	0	0	117.1	A126	V124-A126 VanDerWaalsContact C-N 3.3Å; V124-A126 PolarHBondContact O-N 3.4Å
125	F	25.4	Very low	34.3	Very low	195 Å²	195	88 Å²	88	86%	0.855	51%	0.51	S	S	*	.	S	Bend	trans	46.8	1	134	-79.6	-79.9	0	0	0	123.6
126	A	24.3	Very low	34.1	Very low	82 Å²	82	86.8 Å²	86.8	68%	0.678	50%	0.504	S	S	*	.	S	Bend	trans	-120.7	-19.4	179.2	0	0	0	0	0	115.3	V124	V124-A126 VanDerWaalsContact C-N 3.3Å; V124-A126 PolarHBondContact O-N 3.4Å
127	D	28.8	Very low	34.8	Very low	67 Å²	67	82.8 Å²	82.8	36%	0.358	49%	0.489	S	S	.	.			trans	-119.5	86.3	-168.2	-77.9	-34.5	0	0	0	111.8	S129 S130	D127-S129 PolarHBondContact O-N 2.84Å; D127-S130 PolarHBondContact O-N 3.34Å
128	L	30.7	Very low	36.4	Very low	111 Å²	111	80.1 Å²	80.1	58%	0.581	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	28	173.4	-89.6	164	0	0	0	115.1	F110 I114	F110-L128 HydrophobicContact CE1-CD2 4.26Å; F110-L128 HydrophobicContact CZ-CD2 4.49Å; I114-L128 HydrophobicContact CD1-CD2 3.36Å; I114-L128 HydrophobicContact CG1-CD2 4.2Å; I114-L128 HydrophobicContact CG2-CD2 4.27Å
129	S	32.4	Very low	38	Very low	18 Å²	18	75.4 Å²	75.4	13%	0.126	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-162.7	19.3	175.9	73.1	0	0	0	0	116.1	D127 T131 R284	D127-S129 PolarHBondContact O-N 2.84Å; S129-T131 PolarHBondContact O-N 3.02Å; S129-R284 PolarHBondContact OG-NH2 3.5Å
130	S	26.5	Very low	39.8	Very low	60 Å²	60	73.7 Å²	73.7	42%	0.42	44%	0.44	S	S	.	.			trans	-81.1	55.1	165.9	58.4	0	0	0	0	109.9	D127	D127-S130 PolarHBondContact O-N 3.34Å
131	T	27.3	Very low	42.2	Very low	70 Å²	70	68.5 Å²	68.5	43%	0.429	42%	0.416	S	S	.	.			trans	-83.5	130.7	174.5	41.8	0	0	0	0	109.4	S129 F135	S129-T131 PolarHBondContact O-N 3.02Å; T131-F135 HydrophobicContact CG2-CB 3.68Å; T131-F135 HydrophobicContact CG2-CG 4.44Å; T131-F135 PolarHBondContact OG1-O 3.39Å
132	S	25.7	Very low	44.5	Very low	69 Å²	69	64.1 Å²	64.1	48%	0.483	39%	0.39	S	S	.	.			trans	-52.3	162	165.5	50.3	0	0	0	0	110.5	S134 F135	S132-S134 PolarHBondContact O-N 3.2Å; S132-F135 PolarHBondContact O-N 3.48Å; S132-F135 VanDerWaalsContact O-N 3.08Å; S132-F135 VanDerWaalsContact OG-CD2 3.27Å; S132-F135 WeakPolarHBondContact OG-CD2 3.44Å; S132-F135 VanDerWaalsContact OG-CE2 3.26Å; S132-F135 WeakPolarHBondContact OG-CE2 3.2Å
133	S	32.3	Very low	46.9	Very low	118 Å²	118	64.7 Å²	64.7	83%	0.825	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-8	-173.1	49.7	0	0	0	0	117.1
134	S	35.7	Very low	49.4	Very low	73 Å²	73	64.7 Å²	64.7	51%	0.51	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-18.5	-179.9	18.7	0	0	0	0	115.8	S132	S132-S134 PolarHBondContact O-N 3.2Å
135	F	41.8	Very low	52.2	Low	44 Å²	44	59 Å²	59	19%	0.193	34%	0.339	C	S	.	.			trans	-111.4	38.7	-173	-47	-99.3	0	0	0	114.3	T41 H119 T131 S132 S137 I138	T41-F135 WeakPolarHBondContact O-CE1 3.47Å; H119-F135 AromaticContact CE1-CE1 3.65Å; T131-F135 HydrophobicContact CG2-CB 3.68Å; T131-F135 HydrophobicContact CG2-CG 4.44Å; T131-F135 PolarHBondContact OG1-O 3.39Å; S132-F135 PolarHBondContact O-N 3.48Å; S132-F135 VanDerWaalsContact O-N 3.08Å; S132-F135 VanDerWaalsContact OG-CD2 3.27Å; S132-F135 WeakPolarHBondContact OG-CD2 3.44Å; S132-F135 VanDerWaalsContact OG-CE2 3.26Å; S132-F135 WeakPolarHBondContact OG-CE2 3.2Å; F135-S137 PolarHBondContact O-N 2.93Å; F135-I138 HydrophobicContact CD1-CD1 4.47Å
136	S	51.8	Low	54.9	Low	46 Å²	46	49.7 Å²	49.7	32%	0.322	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-6.5	-169.2	81.7	0	0	0	0	115.3	H100	H100-S136 PolarHBondContact CE1-OG 2.86Å; H100-S136 PolarHBondContact NE2-OG 3.22Å
137	S	70.5	Confident	57.5	Low	1 Å²	1	47.2 Å²	47.2	1%	0.007	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	33	-159.8	54	0	0	0	0	115.2	H100 I101 T103 F135	H100-S137 PolarHBondContact CE1-OG 3.47Å; H100-S137 VanDerWaalsContact CE1-OG 3.22Å; H100-S137 PolarHBondContact ND1-OG 3.17Å; I101-S137 WeakPolarHBondContact O-CB 3.13Å; I101-S137 PolarHBondContact O-OG 2.94Å; T103-S137 PolarHBondContact N-O 2.81Å; F135-S137 PolarHBondContact O-N 2.93Å
138	I	79.3	Confident	59.9	Low	30 Å²	30	44.6 Å²	44.6	15%	0.154	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.8	169.9	-48.6	178	0	0	0	109.5	I42 T103 F110 I113 F135	I42-I138 HydrophobicContact CD1-CD1 3.78Å; I42-I138 HydrophobicContact CD1-CG1 4.16Å; I42-I138 HydrophobicContact CG1-CD1 4.02Å; I42-I138 HydrophobicContact CG2-CD1 4.49Å; T103-I138 HydrophobicContact CG2-CG2 4.18Å; T103-I138 CarbonylContact O-C 3.51Å; T103-I138 VanDerWaalsContact O-CA 3.29Å; T103-I138 WeakPolarHBondContact O-CA 3.5Å; F110-I138 HydrophobicContact CD2-CG2 3.97Å; F110-I138 HydrophobicContact CE2-CB 4.46Å; F110-I138 HydrophobicContact CE2-CG2 3.86Å; I113-I138 HydrophobicContact CG2-CD1 4.49Å; F135-I138 HydrophobicContact CD1-CD1 4.47Å
139	F	83.5	Confident	62.4	Low	32 Å²	32	39.3 Å²	39.3	14%	0.14	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.2	-179.4	-50.9	-75.2	0	0	0	112.2	T103 L104 C105 W203 F205	T103-F139 PolarHBondContact O-N 2.93Å; L104-F139 WeakPolarHBondContact CA-O 3.33Å; L104-F139 HydrophobicContact CD2-CB 3.82Å; L104-F139 HydrophobicContact CD2-CD2 4.02Å; L104-F139 HydrophobicContact CD2-CG 4.41Å; C105-F139 PolarHBondContact N-O 3.26Å; F139-W203 HydrophobicContact CE2-CB 4.03Å; F139-F205 HydrophobicContact CB-CB 3.82Å; F139-F205 HydrophobicContact CB-CD1 4.41Å; F139-F205 HydrophobicContact CB-CD2 4.29Å; F139-F205 HydrophobicContact CB-CG 3.94Å; F139-F205 HydrophobicContact CD1-CB 3.4Å; F139-F205 HydrophobicContact CD1-CG 4.39Å; F139-F205 HydrophobicContact CD2-CB 4.06Å; F139-F205 HydrophobicContact CE1-CB 3.92Å; F139-F205 HydrophobicContact CE2-CB 4.5Å; F139-F205 HydrophobicContact CG-CB 3.47Å; F139-F205 VanDerWaalsContact CG-CB 3.47Å; F139-F205 HydrophobicContact CG-CG 4.15Å; F139-F205 HydrophobicContact CZ-CB 4.44Å
140	A	80.8	Confident	64.6	Low	6 Å²	6	38.7 Å²	38.7	5%	0.05	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	128	169.7	0	0	0	0	0	111.2	C105 K107 F110 F205 R207	C105-A140 CarbonylContact O-C 3.54Å; C105-A140 VanDerWaalsContact O-CA 3.23Å; C105-A140 WeakPolarHBondContact O-CA 3.5Å; K107-A140 HydrophobicContact CG-CB 4.42Å; F110-A140 HydrophobicContact CB-CB 3.77Å; F110-A140 HydrophobicContact CD1-CB 3.79Å; F110-A140 HydrophobicContact CD2-CB 4.03Å; F110-A140 HydrophobicContact CE1-CB 4.33Å; F110-A140 HydrophobicContact CG-CB 3.61Å; A140-F205 WeakPolarHBondContact O-CE1 3.47Å; A140-R207 PolarHBondContact O-NE 3.17Å; A140-R207 PolarHBondContact O-NH2 3.24Å
141	C	82.6	Confident	66.8	Low	2 Å²	2	40.7 Å²	40.7	1%	0.014	23%	0.234	C	C	.	.			trans	-129	178.6	176.7	63.1	0	0	0	0	111.8	C105 F145 I146 F205	C105-C141 PolarHBondContact O-N 2.99Å; C141-F145 HydrophobicContact CB-CB 4.48Å; C141-F145 HydrophobicContact CB-CD1 3.97Å; C141-I146 WeakPolarHBondContact SG-CG1 3.39Å; C141-F205 HydrophobicContact CB-CE1 4.4Å; C141-F205 HydrophobicContact CB-CE2 3.97Å; C141-F205 HydrophobicContact CB-CZ 3.54Å
142	S	79.5	Confident	68.7	Low	39 Å²	39	38.5 Å²	38.5	27%	0.273	22%	0.219	S	C	.	.			trans	-70.8	146.4	169.9	59.5	0	0	0	0	111.3	R144 F145 I146 D238	S142-R144 VanDerWaalsContact C-N 3.27Å; S142-R144 PolarHBondContact O-N 3.31Å; S142-F145 WeakPolarHBondContact O-CB 3.33Å; S142-F145 PolarHBondContact O-N 2.86Å; S142-F145 PolarHBondContact OG-N 3.1Å; S142-I146 PolarHBondContact O-N 2.88Å; S142-D238 VanDerWaalsContact CB-OD2 3.23Å; S142-D238 WeakPolarHBondContact CB-OD2 3.31Å; S142-D238 PolarHBondContact N-OD2 3.42Å; S142-D238 PolarHBondContact OG-OD2 2.86Å
143	K	78.1	Confident	70.2	Confident	74 Å²	74	42.2 Å²	42.2	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-59	-41.5	177	-172.2	156.2	-173.9	149.2	0	111.6	F145 I146 D147 D162	K143-F145 PolarHBondContact O-N 2.9Å; K143-F145 VanDerWaalsContact O-N 3.15Å; K143-I146 WeakPolarHBondContact O-CA 3.03Å; K143-I146 WeakPolarHBondContact O-CB 3.4Å; K143-I146 PolarHBondContact O-N 3.31Å; K143-D147 VanDerWaalsContact O-CG 3.22Å; K143-D147 PolarHBondContact O-N 3.36Å; K143-D162 IonicContact NZ-OD1 3.65Å; K143-D162 PolarHBondContact NZ-OD1 3.01Å
144	R	77.7	Confident	71	Confident	101 Å²	101	41.9 Å²	41.9	38%	0.381	22%	0.218	S	C	.	.	H	α-helix	trans	-53.2	-36.8	172.9	-173.7	171.1	178.8	-173.8	0.3	113.2	S142 I148 F254	S142-R144 VanDerWaalsContact C-N 3.27Å; S142-R144 PolarHBondContact O-N 3.31Å; R144-I148 HydrophobicContact CG-CD1 3.94Å; R144-I148 WeakPolarHBondContact O-CD1 3.49Å; R144-I148 WeakPolarHBondContact O-CG1 3.27Å; R144-I148 PolarHBondContact O-N 2.88Å; R144-I148 VanDerWaalsContact O-N 3.12Å; R144-F254 HydrophobicContact CB-CZ 4.35Å; R144-F254 HydrophobicContact CG-CE2 3.99Å; R144-F254 HydrophobicContact CG-CZ 4.26Å
145	F	81.6	Confident	71.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.8	-40.3	176.9	-167.5	-131.1	0	0	0	112.2	L104 C141 S142 K143 L149 F205 D238 L240 V252 F254 L266	L104-F145 HydrophobicContact CD1-CD1 4.24Å; L104-F145 HydrophobicContact CD1-CE1 3.98Å; C141-F145 HydrophobicContact CB-CB 4.48Å; C141-F145 HydrophobicContact CB-CD1 3.97Å; S142-F145 WeakPolarHBondContact O-CB 3.33Å; S142-F145 PolarHBondContact O-N 2.86Å; S142-F145 PolarHBondContact OG-N 3.1Å; K143-F145 PolarHBondContact O-N 2.9Å; K143-F145 VanDerWaalsContact O-N 3.15Å; F145-L149 HydrophobicContact CD1-CD1 3.95Å; F145-L149 HydrophobicContact CE1-CD1 3.8Å; F145-L149 HydrophobicContact CE2-CD1 4.47Å; F145-L149 HydrophobicContact CG-CD1 4.37Å; F145-L149 HydrophobicContact CZ-CD1 4.09Å; F145-L149 VanDerWaalsContact O-CG 3.31Å; F145-L149 WeakPolarHBondContact O-CG 3.33Å; F145-L149 PolarHBondContact O-N 3.26Å; F145-L149 VanDerWaalsContact O-N 3.07Å; F145-F205 HydrophobicContact CD1-CE2 4.42Å; F145-F205 HydrophobicContact CE1-CE2 4.13Å; F145-D238 HydrophobicContact CD1-CB 4.5Å; F145-L240 HydrophobicContact CE1-CB 4.07Å; F145-L240 HydrophobicContact CZ-CB 4Å; F145-V252 HydrophobicContact CE2-CG1 4.38Å; F145-V252 HydrophobicContact CZ-CG1 4.23Å; F145-F254 HydrophobicContact CB-CD1 4.28Å; F145-F254 HydrophobicContact CB-CE1 3.67Å; F145-F254 HydrophobicContact CB-CZ 4.45Å; F145-F254 AromaticContact CD2-CD1 3.32Å; F145-F254 HydrophobicContact CD2-CD1 3.32Å; F145-F254 AromaticContact CD2-CE1 3.59Å; F145-F254 HydrophobicContact CD2-CE1 3.59Å; F145-F254 HydrophobicContact CD2-CG 4.44Å; F145-F254 AromaticContact CE2-CD1 3.98Å; F145-F254 HydrophobicContact CE2-CD1 3.98Å; F145-F254 HydrophobicContact CG-CD1 4.15Å; F145-F254 AromaticContact CG-CE1 3.95Å; F145-F254 HydrophobicContact CG-CE1 3.95Å; F145-L266 HydrophobicContact CD2-CD2 4.4Å; F145-L266 HydrophobicContact CE2-CD2 3.8Å
146	I	82.2	Confident	71.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-47.6	176.4	-60	178.3	0	0	0	109.9	C141 S142 K143 I148 L149 C150 P161 V164	C141-I146 WeakPolarHBondContact SG-CG1 3.39Å; S142-I146 PolarHBondContact O-N 2.88Å; K143-I146 WeakPolarHBondContact O-CA 3.03Å; K143-I146 WeakPolarHBondContact O-CB 3.4Å; K143-I146 PolarHBondContact O-N 3.31Å; I146-I148 VanDerWaalsContact C-N 3.29Å; I146-I148 PolarHBondContact O-N 3.47Å; I146-L149 PolarHBondContact O-N 2.98Å; I146-L149 VanDerWaalsContact O-N 3.11Å; I146-C150 PolarHBondContact O-N 3.22Å; I146-C150 PolarHBondContact O-SG 3.08Å; I146-P161 HydrophobicContact CG2-CG 3.81Å; I146-V164 HydrophobicContact CB-CG1 4.46Å; I146-V164 HydrophobicContact CG1-CG1 4.22Å; I146-V164 HydrophobicContact CG2-CB 4.07Å; I146-V164 HydrophobicContact CG2-CG1 3.85Å
147	D	79.1	Confident	71.8	Confident	30 Å²	30	53.4 Å²	53.4	16%	0.16	27%	0.265	C	S	.	.	H	α-helix	trans	-60.7	-39.9	-177.8	-55.5	-26	0	0	0	111.5	K143 D151 I152	K143-D147 VanDerWaalsContact O-CG 3.22Å; K143-D147 PolarHBondContact O-N 3.36Å; D147-D151 PolarHBondContact O-N 3.45Å; D147-I152 PolarHBondContact O-N 2.85Å
148	I	78.9	Confident	70.8	Confident	12 Å²	12	62.9 Å²	62.9	6%	0.062	30%	0.3	C	S	.	.	H	α-helix	trans	-68.4	-41.2	176	-63.3	165.2	0	0	0	111	R144 I146 C150 D151 F254 K264 L266	R144-I148 HydrophobicContact CG-CD1 3.94Å; R144-I148 WeakPolarHBondContact O-CD1 3.49Å; R144-I148 WeakPolarHBondContact O-CG1 3.27Å; R144-I148 PolarHBondContact O-N 2.88Å; R144-I148 VanDerWaalsContact O-N 3.12Å; I146-I148 VanDerWaalsContact C-N 3.29Å; I146-I148 PolarHBondContact O-N 3.47Å; I148-C150 VanDerWaalsContact C-N 3.28Å; I148-C150 PolarHBondContact O-N 3.43Å; I148-D151 PolarHBondContact O-N 3.14Å; I148-F254 HydrophobicContact CD1-CB 4.25Å; I148-F254 HydrophobicContact CD1-CD2 3.89Å; I148-F254 HydrophobicContact CD1-CE2 4.38Å; I148-F254 HydrophobicContact CD1-CG 3.97Å; I148-K264 HydrophobicContact CG1-CB 4.32Å; I148-K264 HydrophobicContact CG1-CG 4.28Å; I148-K264 HydrophobicContact CG2-CB 4.35Å; I148-L266 HydrophobicContact CG2-CD1 3.82Å; I148-L266 HydrophobicContact CG2-CD2 4.1Å; I148-L266 HydrophobicContact CG2-CG 3.53Å
149	L	82.6	Confident	69.7	Low	1 Å²	1	64.4 Å²	64.4	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-65.4	-30.6	178.2	-76.6	168.4	0	0	0	113.1	L104 F145 I146 D151 L166 A191 F192 L266	L104-L149 HydrophobicContact CD1-CD1 3.61Å; F145-L149 HydrophobicContact CD1-CD1 3.95Å; F145-L149 HydrophobicContact CE1-CD1 3.8Å; F145-L149 HydrophobicContact CE2-CD1 4.47Å; F145-L149 HydrophobicContact CG-CD1 4.37Å; F145-L149 HydrophobicContact CZ-CD1 4.09Å; F145-L149 VanDerWaalsContact O-CG 3.31Å; F145-L149 WeakPolarHBondContact O-CG 3.33Å; F145-L149 PolarHBondContact O-N 3.26Å; F145-L149 VanDerWaalsContact O-N 3.07Å; I146-L149 PolarHBondContact O-N 2.98Å; I146-L149 VanDerWaalsContact O-N 3.11Å; L149-D151 VanDerWaalsContact C-N 3.31Å; L149-L166 HydrophobicContact CD1-CD1 4.34Å; L149-A191 HydrophobicContact CD2-CB 4.17Å; L149-F192 HydrophobicContact CD2-CD1 4.06Å; L149-F192 HydrophobicContact CD2-CE1 3.92Å; L149-L266 HydrophobicContact CD2-CD1 3.99Å; L149-L266 HydrophobicContact CD2-CD2 4.01Å; L149-L266 HydrophobicContact CG-CD2 4.41Å
150	C	79.1	Confident	68.9	Low	5 Å²	5	65.2 Å²	65.2	3%	0.034	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.3	179.2	-57.2	0	0	0	0	113	I146 I148 I152 W178	I146-C150 PolarHBondContact O-N 3.22Å; I146-C150 PolarHBondContact O-SG 3.08Å; I148-C150 VanDerWaalsContact C-N 3.28Å; I148-C150 PolarHBondContact O-N 3.43Å; C150-I152 HydrophobicContact CB-CD1 3.64Å; C150-I152 HydrophobicContact CB-CG1 3.73Å; C150-I152 PolarHBondContact O-N 3.25Å; C150-W178 HydrophobicContact CB-CD2 4.29Å; C150-W178 HydrophobicContact CB-CE3 4.1Å; C150-W178 HydrophobicContact CB-CH2 4.04Å; C150-W178 HydrophobicContact CB-CZ2 4.22Å; C150-W178 HydrophobicContact CB-CZ3 3.99Å
151	D	73.6	Confident	68.6	Low	102 Å²	102	65.1 Å²	65.1	55%	0.545	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	37.6	-175.1	-159.4	26.3	0	0	0	113.6	D147 I148 L149 E153	D147-D151 PolarHBondContact O-N 3.45Å; I148-D151 PolarHBondContact O-N 3.14Å; L149-D151 VanDerWaalsContact C-N 3.31Å; D151-E153 PolarHBondContact O-N 2.86Å
152	I	66.8	Low	68.3	Low	23 Å²	23	68.4 Å²	68.4	12%	0.118	33%	0.331	C	S	.	.			trans	-79.6	93.7	-179.8	-62.8	167.2	0	0	0	106.9	D147 C150 N154 D159 P161 K264	D147-I152 PolarHBondContact O-N 2.85Å; C150-I152 HydrophobicContact CB-CD1 3.64Å; C150-I152 HydrophobicContact CB-CG1 3.73Å; C150-I152 PolarHBondContact O-N 3.25Å; I152-N154 VanDerWaalsContact C-N 3.32Å; I152-N154 PolarHBondContact O-N 2.95Å; I152-D159 WeakPolarHBondContact CD1-O 3.43Å; I152-P161 HydrophobicContact CD1-CG 4.01Å; I152-K264 PolarHBondContact O-NZ 3.12Å
153	E	56.3	Low	68.5	Low	147 Å²	147	67.2 Å²	67.2	69%	0.687	32%	0.322	S	S	*	.			trans	-67.1	-28.2	-173.7	-74.7	-162.5	143.4	0	0	113.7	D151 K264	D151-E153 PolarHBondContact O-N 2.86Å; E153-K264 VanDerWaalsContact C-NZ 3.28Å; E153-K264 VanDerWaalsContact CA-NZ 3.28Å; E153-K264 PolarHBondContact O-NZ 3.33Å
154	N	50.3	Low	68.9	Low	111 Å²	111	63.7 Å²	63.7	59%	0.594	31%	0.306	S	S	*	.	S	Bend	trans	-107	145.5	-167.3	-72.9	-31.7	0	0	0	114.5	I152 D156	I152-N154 VanDerWaalsContact C-N 3.32Å; I152-N154 PolarHBondContact O-N 2.95Å; N154-D156 HydrophobicContact CB-CB 4.39Å; N154-D156 PolarHBondContact O-N 2.99Å
155	E	47.8	Very low	69.4	Low	184 Å²	184	59 Å²	59	86%	0.86	29%	0.288	S	S	*	.			trans	-64.7	25.5	160.4	-68.8	-157.9	162.9	0	0	113.1	I157	E155-I157 PolarHBondContact O-N 3.09Å
156	D	47.4	Very low	69.8	Low	88 Å²	88	59 Å²	59	47%	0.471	29%	0.288	S	S	.	.			trans	-69.4	82.9	159	-91.2	-38.3	0	0	0	106.7	N154 R158 D159	N154-D156 HydrophobicContact CB-CB 4.39Å; N154-D156 PolarHBondContact O-N 2.99Å; D156-R158 PolarHBondContact O-N 3.21Å; D156-D159 PolarHBondContact O-N 3.43Å
157	I	49.9	Very low	70	Confident	134 Å²	134	59.1 Å²	59.1	69%	0.687	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-44.2	-20.5	173.8	-66.6	160.6	0	0	0	111.6	E155 D159	E155-I157 PolarHBondContact O-N 3.09Å; I157-D159 PolarHBondContact O-N 3.4Å
158	R	49.9	Very low	70.3	Confident	199 Å²	199	57.7 Å²	57.7	75%	0.751	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-65.8	-29.3	-178	-57	-175.5	-168.5	-162.2	4	114	D156	D156-R158 PolarHBondContact O-N 3.21Å
159	D	56.2	Low	70.2	Confident	63 Å²	63	57.4 Å²	57.4	34%	0.337	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-108.8	13.7	-175.2	-75	-25.3	0	0	0	114.3	I152 D156 I157 P161	I152-D159 WeakPolarHBondContact CD1-O 3.43Å; D156-D159 PolarHBondContact O-N 3.43Å; I157-D159 PolarHBondContact O-N 3.4Å; D159-P161 WeakPolarHBondContact O-CD 3.35Å
160	N	66	Low	69.6	Low	48 Å²	48	58 Å²	58	26%	0.257	28%	0.284	S	S	.	.			trans	-76.1	110.1	-177.4	-83.8	-16.3	0	0	0	112.3
161	P	74.8	Confident	69.2	Low	4 Å²	4	59.5 Å²	59.5	3%	0.026	29%	0.292	C	S	.	.			trans	-75.3	136.2	178.6	30.2	-30.6	0	0	0	111.1	I146 I152 D159 L163 W178	I146-P161 HydrophobicContact CG2-CG 3.81Å; I152-P161 HydrophobicContact CD1-CG 4.01Å; D159-P161 WeakPolarHBondContact O-CD 3.35Å; P161-L163 VanDerWaalsContact C-N 3.3Å; P161-W178 HydrophobicContact CB-CB 3.71Å; P161-W178 HydrophobicContact CB-CG 3.84Å; P161-W178 HydrophobicContact CG-CB 4.13Å; P161-W178 HydrophobicContact CG-CG 3.92Å
162	D	76.3	Confident	69.2	Low	72 Å²	72	54.8 Å²	54.8	39%	0.385	27%	0.268	S	S	.	.	S	Bend	trans	-83.2	-13.4	171.5	-64.8	-35.6	0	0	0	112.2	C105 D106 H109 K143	C105-D162 VanDerWaalsContact CA-O 3.31Å; C105-D162 WeakPolarHBondContact CA-O 3.46Å; C105-D162 WeakPolarHBondContact CB-O 3.25Å; D106-D162 PolarHBondContact N-O 2.97Å; H109-D162 HydrophobicContact CB-CB 4.35Å; K143-D162 IonicContact NZ-OD1 3.65Å; K143-D162 PolarHBondContact NZ-OD1 3.01Å
163	L	83	Confident	70	Confident	14 Å²	14	56 Å²	56	7%	0.073	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	133.4	-178	-178.6	148.3	0	0	0	110.6	T103 L104 C105 I113 P161 R165	T103-L163 HydrophobicContact CG2-CD1 3.67Å; T103-L163 HydrophobicContact CG2-CD2 4.1Å; T103-L163 HydrophobicContact CG2-CG 3.76Å; L104-L163 CarbonylContact O-C 3.59Å; L104-L163 WeakPolarHBondContact O-CA 3.44Å; C105-L163 HydrophobicContact CB-CB 4.24Å; C105-L163 HydrophobicContact CB-CD1 4.3Å; C105-L163 HydrophobicContact CB-CG 4.31Å; I113-L163 HydrophobicContact CD1-CD1 3.88Å; P161-L163 VanDerWaalsContact C-N 3.3Å; L163-R165 HydrophobicContact CD2-CG 3.82Å
164	V	87.6	Confident	71.3	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.6	173.1	65.1	0	0	0	0	110	L104 I146 L166 A176 W178	L104-V164 HydrophobicContact CB-CG1 3.75Å; L104-V164 HydrophobicContact CD1-CG1 4.41Å; L104-V164 HydrophobicContact CG-CG1 4.48Å; L104-V164 PolarHBondContact N-O 3.38Å; L104-V164 PolarHBondContact O-N 2.9Å; I146-V164 HydrophobicContact CB-CG1 4.46Å; I146-V164 HydrophobicContact CG1-CG1 4.22Å; I146-V164 HydrophobicContact CG2-CB 4.07Å; I146-V164 HydrophobicContact CG2-CG1 3.85Å; V164-L166 HydrophobicContact CG2-CD2 4.38Å; V164-A176 HydrophobicContact CG2-CB 3.74Å; V164-W178 HydrophobicContact CG2-CB 4.47Å
165	R	88.3	Confident	73	Confident	1 Å²	1	44.9 Å²	44.9	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.6	176.5	-62.3	-172.6	178.8	89.3	-2.8	108.8	E40 E45 I101 C102 T103 L163 I177	E40-R165 IonicContact OE2-NE 3.61Å; E45-R165 IonicContact OE2-CZ 3.44Å; E45-R165 IonicContact OE2-NH1 2.81Å; E45-R165 PolarHBondContact OE2-NH1 2.74Å; E45-R165 IonicContact OE2-NH2 2.73Å; E45-R165 PolarHBondContact OE2-NH2 2.98Å; I101-R165 HydrophobicContact CG2-CB 3.77Å; I101-R165 HydrophobicContact CG2-CG 4.28Å; C102-R165 CarbonylContact O-C 3.42Å; C102-R165 WeakPolarHBondContact O-CA 3.42Å; T103-R165 HydrophobicContact CG2-CG 4.46Å; L163-R165 HydrophobicContact CD2-CG 3.82Å; R165-I177 HydrophobicContact CB-CB 4.44Å; R165-I177 PolarHBondContact N-O 2.84Å; R165-I177 PolarHBondContact O-N 3.41Å
166	L	89.7	Confident	75	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132.8	177.4	-59.3	178.1	0	0	0	110.1	I101 C102 L104 L149 V164 V174 Y175 A176 A191 L240	I101-L166 WeakPolarHBondContact CA-O 3.39Å; C102-L166 HydrophobicContact CB-CB 4.2Å; C102-L166 PolarHBondContact N-O 3.12Å; C102-L166 PolarHBondContact O-N 2.84Å; L104-L166 HydrophobicContact CD1-CD1 3.71Å; L104-L166 HydrophobicContact CD1-CG 4.38Å; L104-L166 HydrophobicContact CG-CD1 4.35Å; L149-L166 HydrophobicContact CD1-CD1 4.34Å; V164-L166 HydrophobicContact CG2-CD2 4.38Å; L166-V174 HydrophobicContact CB-CG1 4.17Å; L166-Y175 CarbonylContact C-O 3.53Å; L166-Y175 VanDerWaalsContact CA-O 3.29Å; L166-Y175 WeakPolarHBondContact CA-O 3.46Å; L166-A176 HydrophobicContact CD2-CB 3.95Å; L166-A191 HydrophobicContact CD2-CB 4.19Å; L166-L240 HydrophobicContact CD1-CD2 3.38Å
167	C	86.9	Confident	77	Confident	3 Å²	3	32 Å²	32	2%	0.02	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	121.1	-177.8	-176.2	0	0	0	0	109.7	I49 I99 V174 Y175 I177	I49-C167 HydrophobicContact CD1-CB 4.24Å; I99-C167 WeakPolarHBondContact CG2-SG 3.34Å; C167-V174 CarbonylContact O-C 3.52Å; C167-V174 WeakPolarHBondContact O-CA 3.45Å; C167-Y175 PolarHBondContact N-O 3.1Å; C167-Y175 PolarHBondContact O-N 2.72Å; C167-I177 HydrophobicContact CB-CD1 4.04Å
168	S	84.4	Confident	78.7	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.5	177.1	176.2	0	0	0	0	110.1	L194 P199 I200	S168-L194 WeakPolarHBondContact OG-CD1 3.3Å; S168-P199 WeakPolarHBondContact OG-CA 3.48Å; S168-I200 PolarHBondContact OG-N 3.35Å
169	L	78.4	Confident	80.3	Confident	5 Å²	5	18.3 Å²	18.3	3%	0.026	10%	0.095	C	C	.	.			trans	-109.7	158.7	-176.5	-62.5	-172.1	0	0	0	110.7	L62 I80 I99 N171 G172 L173 Y175	L62-L169 HydrophobicContact CD1-CD1 3.43Å; L62-L169 VanDerWaalsContact CD1-CD1 3.43Å; L62-L169 HydrophobicContact CD1-CD2 4.27Å; L62-L169 HydrophobicContact CD1-CG 4.5Å; I80-L169 HydrophobicContact CD1-CD1 3.2Å; I80-L169 HydrophobicContact CD1-CG 4.47Å; I99-L169 HydrophobicContact CD1-CD2 3.32Å; I99-L169 HydrophobicContact CG2-CD2 4.44Å; L169-N171 WeakPolarHBondContact CB-OD1 3.48Å; L169-N171 PolarHBondContact O-N 3Å; L169-N171 VanDerWaalsContact O-N 3.07Å; L169-N171 PolarHBondContact O-OD1 2.73Å; L169-G172 PolarHBondContact O-N 3.3Å; L169-G172 VanDerWaalsContact O-N 3.15Å; L169-L173 PolarHBondContact N-O 2.87Å; L169-Y175 HydrophobicContact CB-CD2 4.29Å; L169-Y175 HydrophobicContact CB-CE2 4.08Å; L169-Y175 HydrophobicContact CD1-CD2 3.49Å; L169-Y175 VanDerWaalsContact CD1-CD2 3.49Å; L169-Y175 HydrophobicContact CD1-CE2 3.43Å; L169-Y175 VanDerWaalsContact CD1-CE2 3.43Å; L169-Y175 HydrophobicContact CD1-CG 4.37Å; L169-Y175 HydrophobicContact CG-CD2 3.78Å; L169-Y175 HydrophobicContact CG-CE2 3.94Å
170	P	68.3	Low	81.4	Confident	13 Å²	13	15.7 Å²	15.7	8%	0.084	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	3.8	-173	36	-41.9	0	0	0	113.8	L60 Y82 I97 C197	L60-P170 HydrophobicContact CD2-CG 4.4Å; Y82-P170 HydrophobicContact CD2-CB 4.36Å; Y82-P170 HydrophobicContact CD2-CG 3.88Å; Y82-P170 HydrophobicContact CE2-CB 3.71Å; Y82-P170 HydrophobicContact CE2-CG 3.58Å; I97-P170 HydrophobicContact CD1-CB 4.32Å; I97-P170 HydrophobicContact CD1-CG 3.84Å; P170-C197 WeakPolarHBondContact O-CB 3.18Å
171	N	72.3	Confident	81.7	Confident	38 Å²	38	18.4 Å²	18.4	20%	0.203	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	1.8	167.4	65.7	-14.8	0	0	0	113.1	I80 L169 L173 Y175	I80-N171 HydrophobicContact CG2-CB 3.62Å; I80-N171 WeakPolarHBondContact CG2-ND2 3.4Å; L169-N171 WeakPolarHBondContact CB-OD1 3.48Å; L169-N171 PolarHBondContact O-N 3Å; L169-N171 VanDerWaalsContact O-N 3.07Å; L169-N171 PolarHBondContact O-OD1 2.73Å; N171-L173 VanDerWaalsContact C-N 3.33Å; N171-L173 PolarHBondContact OD1-N 3.4Å; N171-L173 VanDerWaalsContact OD1-N 3.07Å; N171-Y175 PolarHBondContact ND2-OH 3.49Å
172	G	73.4	Confident	81.5	Confident	3 Å²	3	25.3 Å²	25.3	3%	0.031	13%	0.133	C	C	.	.	S	Bend	trans	77.3	18.3	-177.6	0	0	0	0	0	113.2	L169 P193 L194 C196	L169-G172 PolarHBondContact O-N 3.3Å; L169-G172 VanDerWaalsContact O-N 3.15Å; G172-P193 CarbonylContact O-C 3.59Å; G172-L194 WeakPolarHBondContact O-CB 3.34Å; G172-L194 PolarHBondContact O-N 2.86Å; G172-C196 WeakPolarHBondContact CA-O 3.39Å
173	L	82.2	Confident	81.3	Confident	48 Å²	48	26.1 Å²	26.1	25%	0.251	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	143.9	174.6	-60.1	-179.1	0	0	0	110.6	L169 N171 Y175 V190 P193	L169-L173 PolarHBondContact N-O 2.87Å; N171-L173 VanDerWaalsContact C-N 3.33Å; N171-L173 PolarHBondContact OD1-N 3.4Å; N171-L173 VanDerWaalsContact OD1-N 3.07Å; L173-Y175 HydrophobicContact CB-CD2 4.33Å; L173-Y175 HydrophobicContact CB-CE2 3.63Å; L173-V190 HydrophobicContact CB-CG1 4.34Å; L173-V190 HydrophobicContact CD1-CG1 4.35Å; L173-V190 HydrophobicContact CD1-CG2 4.09Å; L173-V190 HydrophobicContact CD2-CG1 4.13Å; L173-P193 HydrophobicContact CD2-CB 3.79Å
174	V	84.6	Confident	81	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.1	168.2	-177.2	0	0	0	0	108.4	L166 C167 A191 F192 L194 I200 W203	L166-V174 HydrophobicContact CB-CG1 4.17Å; C167-V174 CarbonylContact O-C 3.52Å; C167-V174 WeakPolarHBondContact O-CA 3.45Å; V174-A191 WeakPolarHBondContact O-CB 3.24Å; V174-A191 PolarHBondContact O-N 3.5Å; V174-F192 HydrophobicContact CB-CD2 4.04Å; V174-F192 HydrophobicContact CB-CE1 4.28Å; V174-F192 HydrophobicContact CB-CE2 3.72Å; V174-F192 HydrophobicContact CB-CG 4.45Å; V174-F192 HydrophobicContact CB-CZ 3.84Å; V174-F192 HydrophobicContact CG1-CE1 4.14Å; V174-F192 HydrophobicContact CG1-CE2 4.17Å; V174-F192 HydrophobicContact CG1-CZ 3.78Å; V174-F192 HydrophobicContact CG2-CD2 3.97Å; V174-F192 HydrophobicContact CG2-CE2 3.43Å; V174-F192 VanDerWaalsContact CG2-CE2 3.43Å; V174-F192 HydrophobicContact CG2-CZ 3.9Å; V174-F192 PolarHBondContact N-O 2.99Å; V174-F192 PolarHBondContact O-N 2.74Å; V174-L194 HydrophobicContact CG2-CD1 4.03Å; V174-L194 HydrophobicContact CG2-CD2 3.94Å; V174-L194 HydrophobicContact CG2-CG 3.94Å; V174-I200 HydrophobicContact CG2-CD1 4.08Å; V174-W203 HydrophobicContact CG1-CH2 4.11Å; V174-W203 HydrophobicContact CG2-CH2 4.48Å
175	Y	86.5	Confident	80.6	Confident	24 Å²	24	38 Å²	38	9%	0.094	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.3	-179.6	-68.1	-95.3	0	0	0	110.1	I80 L166 C167 L169 N171 L173 S189 V190	I80-Y175 HydrophobicContact CD1-CE2 4.08Å; L166-Y175 CarbonylContact C-O 3.53Å; L166-Y175 VanDerWaalsContact CA-O 3.29Å; L166-Y175 WeakPolarHBondContact CA-O 3.46Å; C167-Y175 PolarHBondContact N-O 3.1Å; C167-Y175 PolarHBondContact O-N 2.72Å; L169-Y175 HydrophobicContact CB-CD2 4.29Å; L169-Y175 HydrophobicContact CB-CE2 4.08Å; L169-Y175 HydrophobicContact CD1-CD2 3.49Å; L169-Y175 VanDerWaalsContact CD1-CD2 3.49Å; L169-Y175 HydrophobicContact CD1-CE2 3.43Å; L169-Y175 VanDerWaalsContact CD1-CE2 3.43Å; L169-Y175 HydrophobicContact CD1-CG 4.37Å; L169-Y175 HydrophobicContact CG-CD2 3.78Å; L169-Y175 HydrophobicContact CG-CE2 3.94Å; N171-Y175 PolarHBondContact ND2-OH 3.49Å; L173-Y175 HydrophobicContact CB-CD2 4.33Å; L173-Y175 HydrophobicContact CB-CE2 3.63Å; Y175-S189 CarbonylContact C-O 3.55Å; Y175-S189 VanDerWaalsContact CA-O 3.27Å; Y175-S189 WeakPolarHBondContact CA-O 3.45Å; Y175-V190 HydrophobicContact CD1-CG2 4.13Å; Y175-V190 HydrophobicContact CE1-CG2 3.71Å
176	A	88.5	Confident	80.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.1	164.6	0	0	0	0	0	108.9	V164 L166 W178 C188 S189 A191	V164-A176 HydrophobicContact CG2-CB 3.74Å; L166-A176 HydrophobicContact CD2-CB 3.95Å; A176-W178 HydrophobicContact CB-CE3 4.3Å; A176-W178 HydrophobicContact CB-CZ3 4.21Å; A176-C188 VanDerWaalsContact O-CA 3.3Å; A176-C188 WeakPolarHBondContact O-CA 3.4Å; A176-S189 PolarHBondContact N-O 3.12Å; A176-S189 PolarHBondContact O-N 3.34Å; A176-A191 HydrophobicContact CB-CB 4.02Å
177	I	88.9	Confident	80.3	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.7	177.7	-55.2	161.8	0	0	0	107.5	I47 I49 I64 R165 C167 L186 H187 C188	I47-I177 HydrophobicContact CD1-CD1 4.4Å; I47-I177 HydrophobicContact CD1-CG2 3.88Å; I49-I177 HydrophobicContact CD1-CD1 4.01Å; I64-I177 HydrophobicContact CD1-CD1 3.84Å; I64-I177 HydrophobicContact CD1-CG1 4.35Å; I64-I177 HydrophobicContact CG2-CD1 4.27Å; I64-I177 HydrophobicContact CG2-CG2 4.32Å; R165-I177 HydrophobicContact CB-CB 4.44Å; R165-I177 PolarHBondContact N-O 2.84Å; R165-I177 PolarHBondContact O-N 3.41Å; C167-I177 HydrophobicContact CB-CD1 4.04Å; I177-L186 HydrophobicContact CG2-CD1 3.75Å; I177-L186 HydrophobicContact CG2-CD2 4.13Å; I177-L186 HydrophobicContact CG2-CG 3.94Å; I177-H187 WeakPolarHBondContact CA-O 3.44Å; I177-C188 HydrophobicContact CG1-CB 4.44Å
178	W	86.5	Confident	80.2	Confident	22 Å²	22	42.5 Å²	42.5	8%	0.083	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.7	177	68.9	98.7	0	0	0	110.6	C150 P161 V164 A176 H187 S189	C150-W178 HydrophobicContact CB-CD2 4.29Å; C150-W178 HydrophobicContact CB-CE3 4.1Å; C150-W178 HydrophobicContact CB-CH2 4.04Å; C150-W178 HydrophobicContact CB-CZ2 4.22Å; C150-W178 HydrophobicContact CB-CZ3 3.99Å; P161-W178 HydrophobicContact CB-CB 3.71Å; P161-W178 HydrophobicContact CB-CG 3.84Å; P161-W178 HydrophobicContact CG-CB 4.13Å; P161-W178 HydrophobicContact CG-CG 3.92Å; V164-W178 HydrophobicContact CG2-CB 4.47Å; A176-W178 HydrophobicContact CB-CE3 4.3Å; A176-W178 HydrophobicContact CB-CZ3 4.21Å; W178-H187 HydrophobicContact CD2-CB 3.79Å; W178-H187 AromaticContact CE2-CG 3.99Å; W178-H187 HydrophobicContact CE3-CB 4.25Å; W178-H187 HydrophobicContact CG-CB 4.33Å; W178-H187 HydrophobicContact CH2-CB 4.01Å; W178-H187 HydrophobicContact CZ2-CB 3.51Å; W178-H187 HydrophobicContact CZ3-CB 4.34Å; W178-H187 PolarHBondContact N-O 3.46Å; W178-H187 VanDerWaalsContact N-O 3.12Å; W178-H187 AromaticContact NE1-CD2 3.6Å; W178-H187 AromaticContact NE1-CG 3.84Å; W178-H187 PolarHBondContact O-N 3.12Å; W178-S189 WeakPolarHBondContact CH2-OG 3.38Å; W178-S189 VanDerWaalsContact CZ3-OG 3.27Å; W178-S189 WeakPolarHBondContact CZ3-OG 3.27Å
179	Y	84.3	Confident	80.2	Confident	24 Å²	24	43.9 Å²	43.9	9%	0.094	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.3	179.1	177.5	-111.3	0	0	0	109.8	L66 E68 T181 K184 K185	L66-Y179 HydrophobicContact CD2-CD1 3.82Å; L66-Y179 HydrophobicContact CD2-CD2 3.46Å; L66-Y179 VanDerWaalsContact CD2-CD2 3.46Å; L66-Y179 HydrophobicContact CD2-CE1 4.23Å; L66-Y179 HydrophobicContact CD2-CE2 3.93Å; L66-Y179 HydrophobicContact CD2-CG 3.37Å; E68-Y179 WeakPolarHBondContact OE1-CE1 3.27Å; E68-Y179 VanDerWaalsContact OE1-CZ 3.25Å; E68-Y179 PolarHBondContact OE1-OH 3.22Å; Y179-T181 HydrophobicContact CD1-CG2 4.25Å; Y179-T181 HydrophobicContact CE1-CG2 4.1Å; Y179-K184 HydrophobicContact CE2-CB 4.46Å; Y179-K185 WeakPolarHBondContact CD2-O 3.43Å
180	T	78.7	Confident	80.4	Confident	8 Å²	8	47 Å²	47	5%	0.049	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.3	176.2	50.4	0	0	0	0	108.6	M182 K184 K185 H187	T180-M182 VanDerWaalsContact C-N 3.26Å; T180-M182 PolarHBondContact O-N 3.38Å; T180-K184 WeakPolarHBondContact O-CA 3.43Å; T180-K184 PolarHBondContact O-N 3.3Å; T180-K185 PolarHBondContact N-O 2.73Å; T180-K185 PolarHBondContact O-N 2.77Å; T180-K185 PolarHBondContact OG1-O 3.29Å; T180-K185 VanDerWaalsContact OG1-O 3.05Å; T180-H187 PolarHBondContact OG1-CD2 3.5Å; T180-H187 PolarHBondContact OG1-NE2 3.36Å
181	T	71.7	Confident	81.1	Confident	104 Å²	104	47 Å²	47	64%	0.638	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-27.1	-178.6	51.3	0	0	0	0	112.7	Y179	Y179-T181 HydrophobicContact CD1-CG2 4.25Å; Y179-T181 HydrophobicContact CE1-CG2 4.1Å
182	M	71	Confident	81.6	Confident	150 Å²	150	45.4 Å²	45.4	74%	0.739	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-51.1	178.7	-68.8	-65.6	-72.1	0	0	111.7	T180	T180-M182 VanDerWaalsContact C-N 3.26Å; T180-M182 PolarHBondContact O-N 3.38Å
183	D	72.2	Confident	82	Confident	89 Å²	89	49 Å²	49	48%	0.476	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.6	179.8	-78.4	2.7	0	0	0	113.1	K185	D183-K185 HydrophobicContact CB-CB 4.23Å; D183-K185 HydrophobicContact CB-CD 4.37Å; D183-K185 HydrophobicContact CB-CG 4.33Å; D183-K185 PolarHBondContact O-N 3.13Å
184	K	76	Confident	81.7	Confident	143 Å²	143	47.6 Å²	47.6	62%	0.622	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	38.3	-170.6	-60.6	-172.6	176.7	-172.9	0	112.1	Y179 T180	Y179-K184 HydrophobicContact CE2-CB 4.46Å; T180-K184 WeakPolarHBondContact O-CA 3.43Å; T180-K184 PolarHBondContact O-N 3.3Å
185	K	80.7	Confident	81	Confident	119 Å²	119	52 Å²	52	52%	0.517	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.6	-180	-76.6	179.1	-176.1	173.9	0	110.4	Y179 T180 D183 H187	Y179-K185 WeakPolarHBondContact CD2-O 3.43Å; T180-K185 PolarHBondContact N-O 2.73Å; T180-K185 PolarHBondContact O-N 2.77Å; T180-K185 PolarHBondContact OG1-O 3.29Å; T180-K185 VanDerWaalsContact OG1-O 3.05Å; D183-K185 HydrophobicContact CB-CB 4.23Å; D183-K185 HydrophobicContact CB-CD 4.37Å; D183-K185 HydrophobicContact CB-CG 4.33Å; D183-K185 PolarHBondContact O-N 3.13Å; K185-H187 PolarHBondContact O-CD2 2.86Å
186	L	84.8	Confident	80.2	Confident	11 Å²	11	51.9 Å²	51.9	6%	0.058	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	135.4	164.3	-164.4	71.3	0	0	0	107.9	I64 L66 S74 I76 I177	I64-L186 HydrophobicContact CB-CD2 4.28Å; I64-L186 HydrophobicContact CG2-CD2 3.59Å; L66-L186 HydrophobicContact CB-CD1 4.18Å; L66-L186 HydrophobicContact CB-CD2 4.47Å; L66-L186 HydrophobicContact CD2-CD1 4.27Å; S74-L186 VanDerWaalsContact OG-CB 3.3Å; S74-L186 WeakPolarHBondContact OG-CB 3.45Å; S74-L186 PolarHBondContact OG-N 2.76Å; I76-L186 HydrophobicContact CD1-CB 3.86Å; I76-L186 HydrophobicContact CD1-CD2 3.84Å; I76-L186 HydrophobicContact CD1-CG 3.69Å; I76-L186 VanDerWaalsContact CD1-O 3.3Å; I76-L186 WeakPolarHBondContact CD1-O 3.22Å; I76-L186 HydrophobicContact CG1-CB 3.99Å; I76-L186 HydrophobicContact CG1-CD2 3.98Å; I76-L186 HydrophobicContact CG1-CG 4.17Å; I177-L186 HydrophobicContact CG2-CD1 3.75Å; I177-L186 HydrophobicContact CG2-CD2 4.13Å; I177-L186 HydrophobicContact CG2-CG 3.94Å
187	H	85.7	Confident	79.3	Confident	52 Å²	52	56.4 Å²	56.4	24%	0.241	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	150.4	175.6	-60.9	-81.4	0	0	0	109.4	I177 W178 T180 K185	I177-H187 WeakPolarHBondContact CA-O 3.44Å; W178-H187 HydrophobicContact CD2-CB 3.79Å; W178-H187 AromaticContact CE2-CG 3.99Å; W178-H187 HydrophobicContact CE3-CB 4.25Å; W178-H187 HydrophobicContact CG-CB 4.33Å; W178-H187 HydrophobicContact CH2-CB 4.01Å; W178-H187 HydrophobicContact CZ2-CB 3.51Å; W178-H187 HydrophobicContact CZ3-CB 4.34Å; W178-H187 PolarHBondContact N-O 3.46Å; W178-H187 VanDerWaalsContact N-O 3.12Å; W178-H187 AromaticContact NE1-CD2 3.6Å; W178-H187 AromaticContact NE1-CG 3.84Å; W178-H187 PolarHBondContact O-N 3.12Å; T180-H187 PolarHBondContact OG1-CD2 3.5Å; T180-H187 PolarHBondContact OG1-NE2 3.36Å; K185-H187 PolarHBondContact O-CD2 2.86Å
188	C	85.2	Confident	78.7	Confident	36 Å²	36	59.3 Å²	59.3	24%	0.243	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	128.4	175.7	-174.5	0	0	0	0	110	I76 L78 A176 I177	I76-C188 HydrophobicContact CD1-CB 3.74Å; L78-C188 HydrophobicContact CD1-CB 4.44Å; A176-C188 VanDerWaalsContact O-CA 3.3Å; A176-C188 WeakPolarHBondContact O-CA 3.4Å; I177-C188 HydrophobicContact CG1-CB 4.44Å
189	S	83.7	Confident	78.4	Confident	30 Å²	30	59.2 Å²	59.2	21%	0.21	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	162.9	174.2	70.4	0	0	0	0	110.8	Y175 A176 W178 A191	Y175-S189 CarbonylContact C-O 3.55Å; Y175-S189 VanDerWaalsContact CA-O 3.27Å; Y175-S189 WeakPolarHBondContact CA-O 3.45Å; A176-S189 PolarHBondContact N-O 3.12Å; A176-S189 PolarHBondContact O-N 3.34Å; W178-S189 WeakPolarHBondContact CH2-OG 3.38Å; W178-S189 VanDerWaalsContact CZ3-OG 3.27Å; W178-S189 WeakPolarHBondContact CZ3-OG 3.27Å; S189-A191 PolarHBondContact O-N 3.12Å
190	V	82.8	Confident	78.4	Confident	70 Å²	70	58.1 Å²	58.1	42%	0.424	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	115.9	173.1	178.4	0	0	0	0	107.9	L173 Y175	L173-V190 HydrophobicContact CB-CG1 4.34Å; L173-V190 HydrophobicContact CD1-CG1 4.35Å; L173-V190 HydrophobicContact CD1-CG2 4.09Å; L173-V190 HydrophobicContact CD2-CG1 4.13Å; Y175-V190 HydrophobicContact CD1-CG2 4.13Å; Y175-V190 HydrophobicContact CE1-CG2 3.71Å
191	A	82.9	Confident	78.6	Confident	14 Å²	14	58.8 Å²	58.8	12%	0.116	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-48.1	177.3	0	0	0	0	0	111	L149 L166 V174 A176 S189	L149-A191 HydrophobicContact CD2-CB 4.17Å; L166-A191 HydrophobicContact CD2-CB 4.19Å; V174-A191 WeakPolarHBondContact O-CB 3.24Å; V174-A191 PolarHBondContact O-N 3.5Å; A176-A191 HydrophobicContact CB-CB 4.02Å; S189-A191 PolarHBondContact O-N 3.12Å
192	F	83.8	Confident	79.3	Confident	5 Å²	5	54 Å²	54	2%	0.022	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	155.6	177	49.2	-90.2	0	0	0	112.4	L149 V174 L194 W203 I250 V252 I268	L149-F192 HydrophobicContact CD2-CD1 4.06Å; L149-F192 HydrophobicContact CD2-CE1 3.92Å; V174-F192 HydrophobicContact CB-CD2 4.04Å; V174-F192 HydrophobicContact CB-CE1 4.28Å; V174-F192 HydrophobicContact CB-CE2 3.72Å; V174-F192 HydrophobicContact CB-CG 4.45Å; V174-F192 HydrophobicContact CB-CZ 3.84Å; V174-F192 HydrophobicContact CG1-CE1 4.14Å; V174-F192 HydrophobicContact CG1-CE2 4.17Å; V174-F192 HydrophobicContact CG1-CZ 3.78Å; V174-F192 HydrophobicContact CG2-CD2 3.97Å; V174-F192 HydrophobicContact CG2-CE2 3.43Å; V174-F192 VanDerWaalsContact CG2-CE2 3.43Å; V174-F192 HydrophobicContact CG2-CZ 3.9Å; V174-F192 PolarHBondContact N-O 2.99Å; V174-F192 PolarHBondContact O-N 2.74Å; F192-L194 HydrophobicContact CD2-CD2 4.43Å; F192-L194 HydrophobicContact CE2-CD2 4.18Å; F192-W203 HydrophobicContact CZ-CH2 4.34Å; F192-I250 HydrophobicContact CD2-CD1 3.77Å; F192-I250 HydrophobicContact CE2-CD1 3.74Å; F192-V252 HydrophobicContact CD1-CG1 4.36Å; F192-V252 HydrophobicContact CD1-CG2 4.36Å; F192-V252 HydrophobicContact CD2-CG2 4.27Å; F192-V252 HydrophobicContact CE1-CG1 4.21Å; F192-V252 HydrophobicContact CE1-CG2 3.94Å; F192-V252 HydrophobicContact CE2-CG2 3.82Å; F192-V252 HydrophobicContact CZ-CG2 3.65Å; F192-I268 HydrophobicContact CB-CD1 3.52Å; F192-I268 HydrophobicContact CB-CG1 4.49Å; F192-I268 HydrophobicContact CG-CD1 4.2Å
193	P	81.8	Confident	80.2	Confident	77 Å²	77	47 Å²	47	50%	0.5	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	155.3	171.8	34.3	-34.6	0	0	0	112.5	G172 L173	G172-P193 CarbonylContact O-C 3.59Å; L173-P193 HydrophobicContact CD2-CB 3.79Å
194	L	75.3	Confident	80.9	Confident	20 Å²	20	42.8 Å²	42.8	11%	0.105	24%	0.241	C	C	.	.			trans	-105.6	141.2	167.7	-56.9	175.6	0	0	0	108.3	S168 G172 V174 F192 C196 I200 I250	S168-L194 WeakPolarHBondContact OG-CD1 3.3Å; G172-L194 WeakPolarHBondContact O-CB 3.34Å; G172-L194 PolarHBondContact O-N 2.86Å; V174-L194 HydrophobicContact CG2-CD1 4.03Å; V174-L194 HydrophobicContact CG2-CD2 3.94Å; V174-L194 HydrophobicContact CG2-CG 3.94Å; F192-L194 HydrophobicContact CD2-CD2 4.43Å; F192-L194 HydrophobicContact CE2-CD2 4.18Å; L194-C196 WeakPolarHBondContact CB-O 3.46Å; L194-C196 PolarHBondContact O-N 3.31Å; L194-I200 HydrophobicContact CD1-CD1 4.14Å; L194-I200 HydrophobicContact CD1-CG1 4.17Å; L194-I200 HydrophobicContact CD2-CD1 4Å; L194-I250 HydrophobicContact CD2-CB 4.36Å; L194-I250 HydrophobicContact CD2-CD1 3.54Å; L194-I250 HydrophobicContact CD2-CG2 4.07Å
195	S	70	Confident	81.4	Confident	93 Å²	93	37 Å²	37	65%	0.65	22%	0.216	S	C	*	.	S	Bend	trans	-64.7	-19.1	171	56.4	0	0	0	0	114.3	E270	S195-E270 VanDerWaalsContact CB-CD 3.44Å; S195-E270 WeakPolarHBondContact CB-OE1 3.49Å; S195-E270 WeakPolarHBondContact CB-OE2 3.23Å; S195-E270 PolarHBondContact N-OE1 3.13Å; S195-E270 PolarHBondContact OG-OE1 3.11Å; S195-E270 VanDerWaalsContact OG-OE1 3.04Å; S195-E270 PolarHBondContact OG-OE2 3.23Å
196	C	69	Low	81.6	Confident	20 Å²	20	31.3 Å²	31.3	14%	0.135	19%	0.192	C	C	.	.	S	Bend	trans	-111.2	137.6	177.1	60.3	0	0	0	0	111	G172 L194 K198	G172-C196 WeakPolarHBondContact CA-O 3.39Å; L194-C196 WeakPolarHBondContact CB-O 3.46Å; L194-C196 PolarHBondContact O-N 3.31Å; C196-K198 HydrophobicContact CB-CG 4.41Å; C196-K198 PolarHBondContact O-N 3.2Å
197	C	70.4	Confident	81.1	Confident	95 Å²	95	36.4 Å²	36.4	64%	0.642	21%	0.21	S	C	*	.	S	Bend	trans	-78	50.6	172.1	-57.5	0	0	0	0	111.2	P170	P170-C197 WeakPolarHBondContact O-CB 3.18Å
198	K	77.1	Confident	80.4	Confident	64 Å²	64	38.2 Å²	38.2	28%	0.278	22%	0.221	S	C	.	.			trans	-129.3	138.8	-178	-62.6	-175.6	-163.6	162.6	0	110.5	C196 T244 D246 E248	C196-K198 HydrophobicContact CB-CG 4.41Å; C196-K198 PolarHBondContact O-N 3.2Å; K198-T244 HydrophobicContact CB-CG2 4.13Å; K198-D246 WeakPolarHBondContact CE-OD2 3.39Å; K198-D246 IonicContact NZ-OD2 3.59Å; K198-D246 PolarHBondContact NZ-OD2 3.33Å; K198-E248 WeakPolarHBondContact CD-OE2 3.22Å; K198-E248 WeakPolarHBondContact CE-OE2 3.41Å; K198-E248 IonicContact NZ-OE1 3.45Å; K198-E248 IonicContact NZ-OE2 3.87Å; K198-E248 PolarHBondContact NZ-OE2 2.91Å
199	P	78.7	Confident	79.7	Confident	20 Å²	20	36.5 Å²	36.5	13%	0.13	21%	0.21	C	C	.	.			trans	-71.8	145.4	-179.9	30.6	-35.9	0	0	0	111.9	I97 S168	I97-P199 HydrophobicContact CG2-CB 4.39Å; I97-P199 HydrophobicContact CG2-CG 3.89Å; S168-P199 WeakPolarHBondContact OG-CA 3.48Å
200	I	85.7	Confident	78.7	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.6	169.5	-66.3	167.6	0	0	0	109.2	S168 V174 L194 T202 W203 I250	S168-I200 PolarHBondContact OG-N 3.35Å; V174-I200 HydrophobicContact CG2-CD1 4.08Å; L194-I200 HydrophobicContact CD1-CD1 4.14Å; L194-I200 HydrophobicContact CD1-CG1 4.17Å; L194-I200 HydrophobicContact CD2-CD1 4Å; I200-T202 WeakPolarHBondContact CG2-O 3.49Å; I200-W203 HydrophobicContact CB-CH2 4.44Å; I200-W203 HydrophobicContact CB-CZ2 3.86Å; I200-W203 HydrophobicContact CD1-CH2 3.29Å; I200-W203 HydrophobicContact CD1-CZ2 3.58Å; I200-W203 HydrophobicContact CD1-CZ3 3.89Å; I200-W203 HydrophobicContact CG1-CH2 4.43Å; I200-W203 HydrophobicContact CG1-CZ2 4.31Å; I200-W203 HydrophobicContact CG2-CD2 3.75Å; I200-W203 HydrophobicContact CG2-CE3 4.29Å; I200-W203 HydrophobicContact CG2-CG 4.19Å; I200-W203 HydrophobicContact CG2-CH2 4.25Å; I200-W203 HydrophobicContact CG2-CZ2 3.68Å; I200-I250 HydrophobicContact CD1-CG2 3.96Å
201	V	82.7	Confident	77.6	Confident	21 Å²	21	35.3 Å²	35.3	13%	0.127	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-21.4	-176.5	-60	0	0	0	0	113.1	P98 H100 L243 K245	P98-V201 HydrophobicContact CG-CG1 4.22Å; H100-V201 WeakPolarHBondContact CB-O 3.16Å; H100-V201 PolarHBondContact CD2-O 2.8Å; V201-L243 WeakPolarHBondContact CG2-O 3.15Å; V201-L243 PolarHBondContact N-O 3.17Å; V201-K245 HydrophobicContact CG1-CB 4.16Å; V201-K245 HydrophobicContact CG2-CB 4.33Å
202	T	86.2	Confident	76.1	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	145.7	178.4	-174.5	0	0	0	0	110.9	I200 L243 I280 C283	I200-T202 WeakPolarHBondContact CG2-O 3.49Å; T202-L243 HydrophobicContact CG2-CB 3.79Å; T202-L243 HydrophobicContact CG2-CD1 4.21Å; T202-L243 PolarHBondContact N-O 3.42Å; T202-L243 PolarHBondContact O-N 2.93Å; T202-I280 HydrophobicContact CG2-CG2 3.94Å; T202-C283 HydrophobicContact CG2-CB 4.08Å; T202-C283 VanDerWaalsContact CG2-SG 3.6Å; T202-C283 PolarHBondContact OG1-N 2.95Å; T202-C283 PolarHBondContact OG1-SG 3.18Å
203	W	88.8	Confident	74.2	Confident	3 Å²	3	39 Å²	39	1%	0.011	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.8	-178.1	-64.1	93.5	0	0	0	111.1	H100 C102 F139 V174 F192 I200 L240 I241 C283	H100-W203 PolarHBondContact O-NE1 3.2Å; C102-W203 HydrophobicContact CB-CB 4.07Å; C102-W203 HydrophobicContact CB-CD2 3.63Å; C102-W203 HydrophobicContact CB-CE3 4.34Å; C102-W203 HydrophobicContact CB-CG 3.5Å; C102-W203 VanDerWaalsContact CB-CG 3.5Å; C102-W203 HydrophobicContact CB-CZ2 4.46Å; F139-W203 HydrophobicContact CE2-CB 4.03Å; V174-W203 HydrophobicContact CG1-CH2 4.11Å; V174-W203 HydrophobicContact CG2-CH2 4.48Å; F192-W203 HydrophobicContact CZ-CH2 4.34Å; I200-W203 HydrophobicContact CB-CH2 4.44Å; I200-W203 HydrophobicContact CB-CZ2 3.86Å; I200-W203 HydrophobicContact CD1-CH2 3.29Å; I200-W203 HydrophobicContact CD1-CZ2 3.58Å; I200-W203 HydrophobicContact CD1-CZ3 3.89Å; I200-W203 HydrophobicContact CG1-CH2 4.43Å; I200-W203 HydrophobicContact CG1-CZ2 4.31Å; I200-W203 HydrophobicContact CG2-CD2 3.75Å; I200-W203 HydrophobicContact CG2-CE3 4.29Å; I200-W203 HydrophobicContact CG2-CG 4.19Å; I200-W203 HydrophobicContact CG2-CH2 4.25Å; I200-W203 HydrophobicContact CG2-CZ2 3.68Å; W203-L240 HydrophobicContact CE3-CD1 3.89Å; W203-L240 HydrophobicContact CE3-CD2 4.15Å; W203-L240 HydrophobicContact CE3-CG 4.01Å; W203-L240 HydrophobicContact CZ3-CD1 4.37Å; W203-L240 HydrophobicContact CZ3-CD2 3.76Å; W203-L240 HydrophobicContact CZ3-CG 4.02Å; W203-I241 CarbonylContact C-O 3.59Å; W203-I241 WeakPolarHBondContact CA-O 2.85Å; W203-C283 PolarHBondContact O-SG 2.95Å; W203-C283 VanDerWaalsContact O-SG 3.41Å
204	A	87.6	Confident	72.4	Confident	2 Å²	2	39.8 Å²	39.8	2%	0.017	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	158	172	0	0	0	0	0	110.7	I241 A285 L290	A204-I241 HydrophobicContact CB-CB 4.46Å; A204-I241 PolarHBondContact N-O 3.32Å; A204-I241 PolarHBondContact O-N 3.16Å; A204-A285 HydrophobicContact CB-CB 4.49Å; A204-L290 HydrophobicContact CB-CD1 3.33Å
205	F	87.1	Confident	70.8	Confident	20 Å²	20	40.1 Å²	40.1	9%	0.088	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.7	179.6	-164.8	-97.7	0	0	0	110.2	L104 F139 A140 C141 F145 R207 D238 L239 L240 A285	L104-F205 HydrophobicContact CD2-CD2 4.47Å; F139-F205 HydrophobicContact CB-CB 3.82Å; F139-F205 HydrophobicContact CB-CD1 4.41Å; F139-F205 HydrophobicContact CB-CD2 4.29Å; F139-F205 HydrophobicContact CB-CG 3.94Å; F139-F205 HydrophobicContact CD1-CB 3.4Å; F139-F205 HydrophobicContact CD1-CG 4.39Å; F139-F205 HydrophobicContact CD2-CB 4.06Å; F139-F205 HydrophobicContact CE1-CB 3.92Å; F139-F205 HydrophobicContact CE2-CB 4.5Å; F139-F205 HydrophobicContact CG-CB 3.47Å; F139-F205 VanDerWaalsContact CG-CB 3.47Å; F139-F205 HydrophobicContact CG-CG 4.15Å; F139-F205 HydrophobicContact CZ-CB 4.44Å; A140-F205 WeakPolarHBondContact O-CE1 3.47Å; C141-F205 HydrophobicContact CB-CE1 4.4Å; C141-F205 HydrophobicContact CB-CE2 3.97Å; C141-F205 HydrophobicContact CB-CZ 3.54Å; F145-F205 HydrophobicContact CD1-CE2 4.42Å; F145-F205 HydrophobicContact CE1-CE2 4.13Å; F205-R207 HydrophobicContact CD1-CG 3.96Å; F205-R207 HydrophobicContact CE1-CG 3.64Å; F205-D238 HydrophobicContact CE1-CB 4.38Å; F205-D238 HydrophobicContact CE2-CB 4.14Å; F205-D238 HydrophobicContact CZ-CB 3.52Å; F205-D238 WeakPolarHBondContact CZ-OD1 3.34Å; F205-L239 WeakPolarHBondContact CA-O 3.29Å; F205-L240 HydrophobicContact CD2-CB 4.24Å; F205-L240 HydrophobicContact CD2-CD1 4.18Å; F205-L240 HydrophobicContact CE2-CB 4.49Å; F205-A285 WeakPolarHBondContact O-CB 3.21Å
206	I	83.5	Confident	69.2	Low	1 Å²	1	37.7 Å²	37.7	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.4	175.7	-66.6	-179	0	0	0	108.1	P209 L239 I241 A285 G287 F304	I206-P209 HydrophobicContact CG2-CB 4.13Å; I206-L239 HydrophobicContact CB-CB 4.26Å; I206-L239 HydrophobicContact CB-CD2 4.28Å; I206-L239 HydrophobicContact CD1-CD2 4.41Å; I206-L239 PolarHBondContact N-O 3.29Å; I206-L239 PolarHBondContact O-N 3.32Å; I206-I241 HydrophobicContact CD1-CD1 3.51Å; I206-I241 HydrophobicContact CG1-CD1 3.93Å; I206-A285 HydrophobicContact CG1-CB 3.8Å; I206-G287 WeakPolarHBondContact CG2-O 3.5Å; I206-F304 HydrophobicContact CD1-CB 4.13Å; I206-F304 HydrophobicContact CD1-CD2 3.67Å; I206-F304 HydrophobicContact CD1-CE2 4.41Å; I206-F304 HydrophobicContact CD1-CG 4.07Å
207	R	75.5	Confident	67.4	Low	117 Å²	117	45.8 Å²	45.8	44%	0.442	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.3	168.8	-73.3	-175.9	178.2	176.6	-0	109.8	A140 F205 N237	A140-R207 PolarHBondContact O-NE 3.17Å; A140-R207 PolarHBondContact O-NH2 3.24Å; F205-R207 HydrophobicContact CD1-CG 3.96Å; F205-R207 HydrophobicContact CE1-CG 3.64Å; R207-N237 WeakPolarHBondContact CA-O 3.33Å
208	N	70.8	Confident	65.8	Low	90 Å²	90	46.4 Å²	46.4	48%	0.481	25%	0.246	S	C	.	.	S	Bend	trans	50.7	70.4	179.4	-62.8	-12	0	0	0	112.7	N237	N208-N237 PolarHBondContact N-O 3.1Å; N208-N237 WeakPolarHBondContact OD1-CA 3.31Å; N208-N237 PolarHBondContact OD1-O 2.74Å; N208-N237 PolarHBondContact OD1-OD1 3.24Å
209	P	69.9	Low	63.9	Low	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-56.7	148.8	173.7	13	-15	0	0	0	111.1	I206 A211 N234 V236 L239 L306	I206-P209 HydrophobicContact CG2-CB 4.13Å; P209-A211 PolarHBondContact O-N 2.94Å; P209-N234 PolarHBondContact O-ND2 3.37Å; P209-V236 HydrophobicContact CG-CG1 4.18Å; P209-L239 HydrophobicContact CB-CD2 4.25Å; P209-L239 HydrophobicContact CG-CB 4.07Å; P209-L239 HydrophobicContact CG-CD2 4.15Å; P209-L306 HydrophobicContact CB-CD1 4.38Å; P209-L306 HydrophobicContact CB-CG 4.37Å; P209-L306 HydrophobicContact CG-CD1 3.92Å; P209-L306 HydrophobicContact CG-CG 4.25Å
210	A	64.1	Low	61.6	Low	35 Å²	35	51.5 Å²	51.5	29%	0.289	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	123.7	-171.4	0	0	0	0	0	111.1	S305 L306	A210-S305 CarbonylContact O-C 3.52Å; A210-S305 WeakPolarHBondContact O-CA 3.3Å; A210-S305 WeakPolarHBondContact O-CB 3.5Å; A210-L306 PolarHBondContact O-N 3.26Å
211	A	58.5	Low	59.1	Low	41 Å²	41	58.5 Å²	58.5	34%	0.339	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.2	171.1	0	0	0	0	0	110.2	P209 S213 N234 W322	P209-A211 PolarHBondContact O-N 2.94Å; A211-S213 PolarHBondContact O-N 2.89Å; A211-N234 VanDerWaalsContact CB-OD1 3.27Å; A211-N234 WeakPolarHBondContact CB-OD1 3.4Å; A211-W322 HydrophobicContact CB-CH2 4.26Å; A211-W322 HydrophobicContact CB-CZ3 4.42Å
212	N	51.8	Low	56.9	Low	24 Å²	24	63.1 Å²	63.1	13%	0.128	34%	0.34	C	S	.	.			trans	-77.1	106.9	-178	-155.4	0.9	0	0	0	110.7	T214 V215 L306 L338	N212-T214 PolarHBondContact O-N 3.34Å; N212-T214 VanDerWaalsContact O-N 3.15Å; N212-V215 PolarHBondContact O-N 3.4Å; N212-L306 WeakPolarHBondContact CB-O 3.29Å; N212-L306 PolarHBondContact N-O 2.87Å; N212-L338 WeakPolarHBondContact OD1-CD2 3.18Å
213	S	44.8	Very low	54.6	Low	71 Å²	71	69.2 Å²	69.2	50%	0.497	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-9.1	-169.9	66	0	0	0	0	115.8	A211 V215 S216 R217	A211-S213 PolarHBondContact O-N 2.89Å; S213-V215 PolarHBondContact O-N 3.05Å; S213-V215 VanDerWaalsContact O-N 3.15Å; S213-S216 VanDerWaalsContact CA-OG 3.26Å; S213-S216 WeakPolarHBondContact CA-OG 3.4Å; S213-S216 WeakPolarHBondContact CB-OG 3.45Å; S213-S216 PolarHBondContact O-N 3.35Å; S213-S216 PolarHBondContact O-OG 3.22Å; S213-R217 PolarHBondContact O-N 3.42Å
214	T	43.1	Very low	52	Low	95 Å²	95	73.7 Å²	73.7	58%	0.583	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.4	175.6	38.1	0	0	0	0	113.1	N212	N212-T214 PolarHBondContact O-N 3.34Å; N212-T214 VanDerWaalsContact O-N 3.15Å
215	V	40.9	Very low	49.5	Very low	27 Å²	27	79.9 Å²	79.9	16%	0.164	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-35.3	170.7	-174.6	0	0	0	0	111.4	N212 S213 R217 I218 L308	N212-V215 PolarHBondContact O-N 3.4Å; S213-V215 PolarHBondContact O-N 3.05Å; S213-V215 VanDerWaalsContact O-N 3.15Å; V215-R217 VanDerWaalsContact C-N 3.34Å; V215-R217 PolarHBondContact O-N 3.42Å; V215-I218 PolarHBondContact O-N 3.48Å; V215-I218 VanDerWaalsContact O-N 3.14Å; V215-L308 HydrophobicContact CG1-CB 4.25Å; V215-L308 HydrophobicContact CG1-CD2 4.13Å
216	S	36.5	Very low	46.9	Very low	41 Å²	41	86.2 Å²	86.2	29%	0.287	48%	0.477	S	S	.	.	H	α-helix	trans	-64.4	-36.7	-179.6	53.3	0	0	0	0	112.6	S213 I218 I219 D220	S213-S216 VanDerWaalsContact CA-OG 3.26Å; S213-S216 WeakPolarHBondContact CA-OG 3.4Å; S213-S216 WeakPolarHBondContact CB-OG 3.45Å; S213-S216 PolarHBondContact O-N 3.35Å; S213-S216 PolarHBondContact O-OG 3.22Å; S216-I218 VanDerWaalsContact C-N 3.28Å; S216-I218 PolarHBondContact O-N 3.31Å; S216-I219 PolarHBondContact O-N 3.12Å; S216-D220 PolarHBondContact O-N 2.94Å
217	R	32.6	Very low	44.3	Very low	191 Å²	191	93.8 Å²	93.8	72%	0.721	51%	0.512	S	S	*	.	H	α-helix	trans	-65.4	-24.2	174.9	-88.1	-167.2	-157.8	163.9	7.9	115.3	S213 V215 I219	S213-R217 PolarHBondContact O-N 3.42Å; V215-R217 VanDerWaalsContact C-N 3.34Å; V215-R217 PolarHBondContact O-N 3.42Å; R217-I219 VanDerWaalsContact C-N 3.32Å
218	I	36.7	Very low	42	Very low	107 Å²	107	94.2 Å²	94.2	55%	0.549	53%	0.531	S	S	.	.	H	α-helix	trans	-76.7	-27.9	-178.3	-63.4	176	0	0	0	110.3	V215 S216	V215-I218 PolarHBondContact O-N 3.48Å; V215-I218 VanDerWaalsContact O-N 3.14Å; S216-I218 VanDerWaalsContact C-N 3.28Å; S216-I218 PolarHBondContact O-N 3.31Å
219	I	35.9	Very low	39.9	Very low	98 Å²	98	95.4 Å²	95.4	50%	0.503	54%	0.542	S	S	.	.	H	α-helix	trans	-77.6	-36.6	178.9	-58.1	177.6	0	0	0	110.8	S216 R217 N221 T222	S216-I219 PolarHBondContact O-N 3.12Å; R217-I219 VanDerWaalsContact C-N 3.32Å; I219-N221 VanDerWaalsContact C-N 3.27Å; I219-N221 PolarHBondContact O-N 3.28Å; I219-T222 PolarHBondContact O-N 2.87Å
220	D	30.7	Very low	38	Very low	93 Å²	93	103.7 Å²	103.7	50%	0.497	58%	0.581	S	S	.	*	H	α-helix	trans	-64.2	-26	-177.6	-74.2	-18.3	0	0	0	114.3	S216	S216-D220 PolarHBondContact O-N 2.94Å
221	N	32.7	Very low	36.7	Very low	148 Å²	148	108 Å²	108	79%	0.791	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-4.7	-173	-81.6	-7.8	0	0	0	115.3	I219	I219-N221 VanDerWaalsContact C-N 3.27Å; I219-N221 PolarHBondContact O-N 3.28Å
222	T	38	Very low	35.7	Very low	118 Å²	118	114 Å²	114	72%	0.724	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	-6.8	-179.2	48.3	0	0	0	0	115.5	I219	I219-T222 PolarHBondContact O-N 2.87Å
223	L	36	Very low	35.4	Very low	132 Å²	132	119.7 Å²	119.7	69%	0.691	65%	0.649	S	S	*	*			trans	-125	78.1	176.9	-85.5	139.4	0	0	0	109.7	D225	L223-D225 PolarHBondContact O-N 2.71Å
224	A	35.2	Very low	35.6	Very low	97 Å²	97	118.7 Å²	118.7	80%	0.802	64%	0.638	S	S	*	*			trans	-75.5	15.8	173.7	0	0	0	0	0	113.7
225	D	35.5	Very low	36.3	Very low	132 Å²	132	115 Å²	115	71%	0.706	62%	0.615	S	S	*	*	S	Bend	trans	-109.8	91.1	-177.8	-76.4	-32.2	0	0	0	111.4	L223 H227	L223-D225 PolarHBondContact O-N 2.71Å; D225-H227 VanDerWaalsContact C-N 3.28Å; D225-H227 PolarHBondContact O-N 2.88Å
226	N	31.2	Very low	37.1	Very low	152 Å²	152	113.7 Å²	113.7	81%	0.813	61%	0.608	S	S	*	*	S	Bend	trans	51.3	8.6	140	-69.6	-25.6	0	0	0	122.5
227	H	30.2	Very low	38.6	Very low	161 Å²	161	114.8 Å²	114.8	75%	0.745	61%	0.61	S	S	*	*			trans	-127.5	75.4	164.2	-73	-72.7	0	0	0	109.5	D225 T229	D225-H227 VanDerWaalsContact C-N 3.28Å; D225-H227 PolarHBondContact O-N 2.88Å; H227-T229 PolarHBondContact O-N 3.25Å
228	C	26.2	Very low	40.9	Very low	126 Å²	126	106.1 Å²	106.1	85%	0.851	58%	0.578	S	S	*	*			trans	-71.5	63.1	161.6	-146.7	0	0	0	0	107.7	Q230	C228-Q230 PolarHBondContact O-N 3.4Å
229	T	28	Very low	43.2	Very low	114 Å²	114	101 Å²	101	70%	0.699	55%	0.552	S	S	*	*			trans	-62.6	108.3	162.2	44.2	0	0	0	0	104.7	H227 I231	H227-T229 PolarHBondContact O-N 3.25Å; T229-I231 PolarHBondContact O-N 3.06Å; T229-I231 VanDerWaalsContact O-N 3.12Å
230	Q	29.2	Very low	45.8	Very low	174 Å²	174	96.4 Å²	96.4	81%	0.813	53%	0.528	S	S	*	.			trans	-26.1	117.1	172.8	-72.3	168.4	-24	0	0	110.4	C228 E232	C228-Q230 PolarHBondContact O-N 3.4Å; Q230-E232 PolarHBondContact O-N 3.01Å
231	I	36	Very low	48.6	Very low	125 Å²	125	92 Å²	92	64%	0.641	51%	0.505	S	S	*	.	S	Bend	trans	-21.3	107.7	166.4	-64.6	162.6	0	0	0	108.4	T229 N233	T229-I231 PolarHBondContact O-N 3.06Å; T229-I231 VanDerWaalsContact O-N 3.12Å; I231-N233 PolarHBondContact O-N 2.95Å; I231-N233 VanDerWaalsContact O-N 3.15Å
232	E	38.8	Very low	51.3	Low	169 Å²	169	85 Å²	85	79%	0.79	47%	0.468	S	S	*	.			trans	-33.7	119.4	-177.9	-70.2	166.1	158.1	0	0	109.5	Q230 N234	Q230-E232 PolarHBondContact O-N 3.01Å; E232-N234 PolarHBondContact O-N 3.48Å; E232-N234 VanDerWaalsContact O-N 3.16Å
233	N	44.6	Very low	53.7	Low	142 Å²	142	79.4 Å²	79.4	76%	0.759	43%	0.433	S	S	*	.			trans	-33.8	124.6	172.3	-70.1	-39.3	0	0	0	108.8	I231 T235	I231-N233 PolarHBondContact O-N 2.95Å; I231-N233 VanDerWaalsContact O-N 3.15Å; N233-T235 WeakPolarHBondContact O-CA 3.38Å; N233-T235 WeakPolarHBondContact O-CG2 3.28Å; N233-T235 PolarHBondContact O-N 2.87Å
234	N	49.7	Very low	56.1	Low	50 Å²	50	73.3 Å²	73.3	27%	0.267	40%	0.401	S	S	.	.			trans	-37.9	107.1	172.9	-105.2	8.1	0	0	0	108.5	P209 A211 E232 V236 N237	P209-N234 PolarHBondContact O-ND2 3.37Å; A211-N234 VanDerWaalsContact CB-OD1 3.27Å; A211-N234 WeakPolarHBondContact CB-OD1 3.4Å; E232-N234 PolarHBondContact O-N 3.48Å; E232-N234 VanDerWaalsContact O-N 3.16Å; N234-V236 PolarHBondContact O-N 3.37Å; N234-V236 VanDerWaalsContact O-N 3.17Å; N234-N237 PolarHBondContact O-OD1 2.9Å
235	T	57.1	Low	58.4	Low	18 Å²	18	73.7 Å²	73.7	11%	0.11	39%	0.385	C	S	.	.	S	Bend	trans	-71.9	-16.3	-170.3	62.7	0	0	0	0	110.2	N233 D255 S256 W322	N233-T235 WeakPolarHBondContact O-CA 3.38Å; N233-T235 WeakPolarHBondContact O-CG2 3.28Å; N233-T235 PolarHBondContact O-N 2.87Å; T235-D255 WeakPolarHBondContact CB-OD1 3.33Å; T235-D255 PolarHBondContact OG1-OD1 2.99Å; T235-S256 WeakPolarHBondContact O-CA 3.5Å; T235-S256 WeakPolarHBondContact O-CB 3.25Å; T235-S256 PolarHBondContact O-N 2.64Å; T235-S256 PolarHBondContact O-OG 2.88Å; T235-W322 PolarHBondContact OG1-NE1 3.48Å; T235-W322 VanDerWaalsContact OG1-NE1 3.07Å
236	V	57.7	Low	60.6	Low	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.37	C	S	.	.			trans	-101	105.2	173.7	-174.8	0	0	0	0	108.9	P209 N234 W253 L306	P209-V236 HydrophobicContact CG-CG1 4.18Å; N234-V236 PolarHBondContact O-N 3.37Å; N234-V236 VanDerWaalsContact O-N 3.17Å; V236-W253 HydrophobicContact CB-CE3 4.09Å; V236-W253 HydrophobicContact CG1-CB 3.92Å; V236-W253 HydrophobicContact CG1-CD2 4.08Å; V236-W253 HydrophobicContact CG1-CE3 3.61Å; V236-W253 HydrophobicContact CG1-CG 4.25Å; V236-W253 HydrophobicContact CG1-CZ3 4.47Å; V236-W253 HydrophobicContact CG2-CD2 4.37Å; V236-W253 HydrophobicContact CG2-CE3 3.3Å; V236-W253 HydrophobicContact CG2-CH2 4.39Å; V236-W253 HydrophobicContact CG2-CZ3 3.31Å; V236-L306 HydrophobicContact CB-CD1 3.5Å; V236-L306 HydrophobicContact CG1-CD1 4.04Å; V236-L306 HydrophobicContact CG1-CD2 4.49Å; V236-L306 HydrophobicContact CG2-CD1 3.74Å; V236-L306 HydrophobicContact CG2-CD2 4.21Å
237	N	69.2	Low	63	Low	63 Å²	63	63.7 Å²	63.7	34%	0.337	33%	0.332	S	S	.	.			trans	-94.7	-34.1	-179.9	-69.3	-53.3	0	0	0	112.6	R207 N208 N234	R207-N237 WeakPolarHBondContact CA-O 3.33Å; N208-N237 PolarHBondContact N-O 3.1Å; N208-N237 WeakPolarHBondContact OD1-CA 3.31Å; N208-N237 PolarHBondContact OD1-O 2.74Å; N208-N237 PolarHBondContact OD1-OD1 3.24Å; N234-N237 PolarHBondContact O-OD1 2.9Å
238	D	79.8	Confident	65.7	Low	9 Å²	9	59.3 Å²	59.3	5%	0.048	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.9	-169.4	-69.4	-28.8	0	0	0	109.8	S142 F145 F205 W253 F254	S142-D238 VanDerWaalsContact CB-OD2 3.23Å; S142-D238 WeakPolarHBondContact CB-OD2 3.31Å; S142-D238 PolarHBondContact N-OD2 3.42Å; S142-D238 PolarHBondContact OG-OD2 2.86Å; F145-D238 HydrophobicContact CD1-CB 4.5Å; F205-D238 HydrophobicContact CE1-CB 4.38Å; F205-D238 HydrophobicContact CE2-CB 4.14Å; F205-D238 HydrophobicContact CZ-CB 3.52Å; F205-D238 WeakPolarHBondContact CZ-OD1 3.34Å; D238-W253 WeakPolarHBondContact O-CB 3.3Å; D238-F254 HydrophobicContact CB-CE1 4.4Å
239	L	86.2	Confident	68.5	Low	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	110	174	171.6	64.8	0	0	0	109.3	F205 I206 P209 I241 W253 F304 L324	F205-L239 WeakPolarHBondContact CA-O 3.29Å; I206-L239 HydrophobicContact CB-CB 4.26Å; I206-L239 HydrophobicContact CB-CD2 4.28Å; I206-L239 HydrophobicContact CD1-CD2 4.41Å; I206-L239 PolarHBondContact N-O 3.29Å; I206-L239 PolarHBondContact O-N 3.32Å; P209-L239 HydrophobicContact CB-CD2 4.25Å; P209-L239 HydrophobicContact CG-CB 4.07Å; P209-L239 HydrophobicContact CG-CD2 4.15Å; L239-I241 HydrophobicContact CD1-CG1 4.46Å; L239-I241 HydrophobicContact CD2-CD1 4.18Å; L239-I241 HydrophobicContact CD2-CG1 4.34Å; L239-I241 HydrophobicContact CG-CD1 4.33Å; L239-I241 HydrophobicContact CG-CG1 4.02Å; L239-W253 HydrophobicContact CD1-CB 3.92Å; L239-W253 HydrophobicContact CD1-CG 4.16Å; L239-F304 HydrophobicContact CD2-CB 4.12Å; L239-F304 HydrophobicContact CD2-CD1 3.99Å; L239-F304 HydrophobicContact CD2-CG 4.14Å; L239-L324 HydrophobicContact CD1-CD2 3.64Å; L239-L324 HydrophobicContact CD2-CD1 3.83Å; L239-L324 HydrophobicContact CD2-CD2 4.03Å
240	L	89.4	Confident	71.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.5	170.5	178.6	68.7	0	0	0	109.6	L104 F145 L166 W203 F205 G251 V252	L104-L240 HydrophobicContact CD1-CD2 4.28Å; L104-L240 HydrophobicContact CD2-CD1 4.25Å; F145-L240 HydrophobicContact CE1-CB 4.07Å; F145-L240 HydrophobicContact CZ-CB 4Å; L166-L240 HydrophobicContact CD1-CD2 3.38Å; W203-L240 HydrophobicContact CE3-CD1 3.89Å; W203-L240 HydrophobicContact CE3-CD2 4.15Å; W203-L240 HydrophobicContact CE3-CG 4.01Å; W203-L240 HydrophobicContact CZ3-CD1 4.37Å; W203-L240 HydrophobicContact CZ3-CD2 3.76Å; W203-L240 HydrophobicContact CZ3-CG 4.02Å; F205-L240 HydrophobicContact CD2-CB 4.24Å; F205-L240 HydrophobicContact CD2-CD1 4.18Å; F205-L240 HydrophobicContact CE2-CB 4.49Å; L240-G251 CarbonylContact O-C 3.56Å; L240-G251 WeakPolarHBondContact O-CA 3.34Å; L240-V252 HydrophobicContact CB-CB 4.36Å; L240-V252 PolarHBondContact N-O 3.14Å; L240-V252 PolarHBondContact O-N 2.9Å
241	I	89.8	Confident	74.2	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129	178.1	-57.6	166.4	0	0	0	109.3	W203 A204 I206 L239 I250 F271 L290 F304	W203-I241 CarbonylContact C-O 3.59Å; W203-I241 WeakPolarHBondContact CA-O 2.85Å; A204-I241 HydrophobicContact CB-CB 4.46Å; A204-I241 PolarHBondContact N-O 3.32Å; A204-I241 PolarHBondContact O-N 3.16Å; I206-I241 HydrophobicContact CD1-CD1 3.51Å; I206-I241 HydrophobicContact CG1-CD1 3.93Å; L239-I241 HydrophobicContact CD1-CG1 4.46Å; L239-I241 HydrophobicContact CD2-CD1 4.18Å; L239-I241 HydrophobicContact CD2-CG1 4.34Å; L239-I241 HydrophobicContact CG-CD1 4.33Å; L239-I241 HydrophobicContact CG-CG1 4.02Å; I241-I250 CarbonylContact C-O 3.51Å; I241-I250 VanDerWaalsContact CA-O 3.26Å; I241-I250 WeakPolarHBondContact CA-O 3.18Å; I241-F271 HydrophobicContact CG2-CE1 4.15Å; I241-F271 HydrophobicContact CG2-CZ 3.77Å; I241-L290 HydrophobicContact CD1-CD2 4.29Å; I241-L290 HydrophobicContact CG2-CD2 3.88Å; I241-F304 HydrophobicContact CD1-CD1 4.34Å; I241-F304 HydrophobicContact CD1-CD2 3.9Å; I241-F304 HydrophobicContact CD1-CE1 4.02Å; I241-F304 HydrophobicContact CD1-CE2 3.57Å; I241-F304 HydrophobicContact CD1-CG 4.28Å; I241-F304 HydrophobicContact CD1-CZ 3.62Å; I241-F304 HydrophobicContact CG1-CE1 4.46Å; I241-F304 HydrophobicContact CG1-CZ 4.3Å; I241-F304 HydrophobicContact CG2-CZ 4.4Å
242	G	89.1	Confident	76.6	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.7	169.7	0	0	0	0	0	110.9	G249 I250	G242-G249 CarbonylContact O-C 3.5Å; G242-G249 VanDerWaalsContact O-CA 3.24Å; G242-G249 WeakPolarHBondContact O-CA 3.44Å; G242-I250 PolarHBondContact N-O 3.31Å; G242-I250 PolarHBondContact O-N 3.43Å
243	L	89	Confident	78.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.9	174.7	-66.2	170.8	0	0	0	111.1	V201 T202 E248 F271 L273 C283 L290 V292	V201-L243 WeakPolarHBondContact CG2-O 3.15Å; V201-L243 PolarHBondContact N-O 3.17Å; T202-L243 HydrophobicContact CG2-CB 3.79Å; T202-L243 HydrophobicContact CG2-CD1 4.21Å; T202-L243 PolarHBondContact N-O 3.42Å; T202-L243 PolarHBondContact O-N 2.93Å; L243-E248 WeakPolarHBondContact CA-O 3.46Å; L243-F271 HydrophobicContact CD2-CE2 3.73Å; L243-F271 HydrophobicContact CD2-CZ 3.84Å; L243-L273 HydrophobicContact CD1-CD1 4.45Å; L243-L273 HydrophobicContact CD2-CD1 4.14Å; L243-C283 HydrophobicContact CD1-CB 4.08Å; L243-L290 HydrophobicContact CD1-CD2 4Å; L243-V292 HydrophobicContact CD1-CG1 4.03Å; L243-V292 HydrophobicContact CD1-CG2 3.7Å
244	T	87.2	Confident	80.5	Confident	4 Å²	4	20 Å²	20	3%	0.025	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	165.6	167.4	74.7	0	0	0	0	110.5	K198 D246 G247 E248	K198-T244 HydrophobicContact CB-CG2 4.13Å; T244-D246 PolarHBondContact O-N 3.27Å; T244-D246 VanDerWaalsContact O-N 3.14Å; T244-G247 PolarHBondContact O-N 3.37Å; T244-E248 HydrophobicContact CG2-CB 4.19Å; T244-E248 PolarHBondContact N-O 3.08Å; T244-E248 WeakPolarHBondContact OG1-CB 3.41Å; T244-E248 PolarHBondContact OG1-N 3.43Å; T244-E248 PolarHBondContact OG1-O 3.42Å
245	K	83.2	Confident	81.6	Confident	105 Å²	105	18.8 Å²	18.8	46%	0.457	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.8	178.3	56.2	173.2	-174.8	-179.5	0	114.1	V201 P279 I280	V201-K245 HydrophobicContact CG1-CB 4.16Å; V201-K245 HydrophobicContact CG2-CB 4.33Å; K245-P279 HydrophobicContact CB-CB 4.33Å; K245-P279 WeakPolarHBondContact O-CA 3.3Å; K245-I280 PolarHBondContact O-N 2.95Å
246	D	81.2	Confident	81.8	Confident	72 Å²	72	19.2 Å²	19.2	39%	0.385	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-9.9	-174.3	-56	-32.3	0	0	0	112.9	K198 T244	K198-D246 WeakPolarHBondContact CE-OD2 3.39Å; K198-D246 IonicContact NZ-OD2 3.59Å; K198-D246 PolarHBondContact NZ-OD2 3.33Å; T244-D246 PolarHBondContact O-N 3.27Å; T244-D246 VanDerWaalsContact O-N 3.14Å
247	G	82	Confident	81.8	Confident	2 Å²	2	20.4 Å²	20.4	2%	0.021	11%	0.108	C	C	.	.	S	Bend	trans	98.4	14.2	-177.5	0	0	0	0	0	115.5	T244 L273	T244-G247 PolarHBondContact O-N 3.37Å; G247-L273 PolarHBondContact O-N 2.95Å
248	E	85.8	Confident	80.8	Confident	70 Å²	70	24.6 Å²	24.6	33%	0.327	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.4	165.1	-64.1	164.3	154.2	0	0	108.5	K198 L243 T244	K198-E248 WeakPolarHBondContact CD-OE2 3.22Å; K198-E248 WeakPolarHBondContact CE-OE2 3.41Å; K198-E248 IonicContact NZ-OE1 3.45Å; K198-E248 IonicContact NZ-OE2 3.87Å; K198-E248 PolarHBondContact NZ-OE2 2.91Å; L243-E248 WeakPolarHBondContact CA-O 3.46Å; T244-E248 HydrophobicContact CG2-CB 4.19Å; T244-E248 PolarHBondContact N-O 3.08Å; T244-E248 WeakPolarHBondContact OG1-CB 3.41Å; T244-E248 PolarHBondContact OG1-N 3.43Å; T244-E248 PolarHBondContact OG1-O 3.42Å
249	G	85.9	Confident	79.2	Confident	8 Å²	8	32 Å²	32	8%	0.082	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150.9	-171.2	0	0	0	0	0	113.2	G242 E270 F271	G242-G249 CarbonylContact O-C 3.5Å; G242-G249 VanDerWaalsContact O-CA 3.24Å; G242-G249 WeakPolarHBondContact O-CA 3.44Å; G249-E270 WeakPolarHBondContact O-CA 3.44Å; G249-F271 WeakPolarHBondContact CA-O 3.47Å; G249-F271 PolarHBondContact N-O 2.61Å; G249-F271 PolarHBondContact O-N 3.05Å
250	I	87.7	Confident	77.2	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.8	176.8	-168.6	166.7	0	0	0	109.3	F192 L194 I200 I241 G242 V252 I268	F192-I250 HydrophobicContact CD2-CD1 3.77Å; F192-I250 HydrophobicContact CE2-CD1 3.74Å; L194-I250 HydrophobicContact CD2-CB 4.36Å; L194-I250 HydrophobicContact CD2-CD1 3.54Å; L194-I250 HydrophobicContact CD2-CG2 4.07Å; I200-I250 HydrophobicContact CD1-CG2 3.96Å; I241-I250 CarbonylContact C-O 3.51Å; I241-I250 VanDerWaalsContact CA-O 3.26Å; I241-I250 WeakPolarHBondContact CA-O 3.18Å; G242-I250 PolarHBondContact N-O 3.31Å; G242-I250 PolarHBondContact O-N 3.43Å; I250-V252 HydrophobicContact CD1-CG2 4.17Å; I250-V252 HydrophobicContact CG1-CG2 3.94Å; I250-I268 HydrophobicContact CD1-CG2 3.43Å; I250-I268 VanDerWaalsContact CD1-CG2 3.43Å; I250-I268 HydrophobicContact CG1-CG2 3.64Å
251	G	88.2	Confident	75	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.4	170.3	0	0	0	0	0	109.4	L240 T269	L240-G251 CarbonylContact O-C 3.56Å; L240-G251 WeakPolarHBondContact O-CA 3.34Å; G251-T269 PolarHBondContact N-O 3.27Å; G251-T269 PolarHBondContact O-N 3.5Å
252	V	88	Confident	72.8	Confident	1 Å²	1	51 Å²	51	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.5	-178.6	-175.8	0	0	0	0	109.2	F145 F192 L240 I250 L266 I268	F145-V252 HydrophobicContact CE2-CG1 4.38Å; F145-V252 HydrophobicContact CZ-CG1 4.23Å; F192-V252 HydrophobicContact CD1-CG1 4.36Å; F192-V252 HydrophobicContact CD1-CG2 4.36Å; F192-V252 HydrophobicContact CD2-CG2 4.27Å; F192-V252 HydrophobicContact CE1-CG1 4.21Å; F192-V252 HydrophobicContact CE1-CG2 3.94Å; F192-V252 HydrophobicContact CE2-CG2 3.82Å; F192-V252 HydrophobicContact CZ-CG2 3.65Å; L240-V252 HydrophobicContact CB-CB 4.36Å; L240-V252 PolarHBondContact N-O 3.14Å; L240-V252 PolarHBondContact O-N 2.9Å; I250-V252 HydrophobicContact CD1-CG2 4.17Å; I250-V252 HydrophobicContact CG1-CG2 3.94Å; V252-L266 HydrophobicContact CG1-CD2 3.56Å; V252-I268 HydrophobicContact CG2-CG1 4.47Å
253	W	86.3	Confident	70.8	Confident	3 Å²	3	58.3 Å²	58.3	1%	0.011	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	167.1	-176.7	59.3	-78.1	0	0	0	110	V236 D238 L239 D255 N267 T269 W322	V236-W253 HydrophobicContact CB-CE3 4.09Å; V236-W253 HydrophobicContact CG1-CB 3.92Å; V236-W253 HydrophobicContact CG1-CD2 4.08Å; V236-W253 HydrophobicContact CG1-CE3 3.61Å; V236-W253 HydrophobicContact CG1-CG 4.25Å; V236-W253 HydrophobicContact CG1-CZ3 4.47Å; V236-W253 HydrophobicContact CG2-CD2 4.37Å; V236-W253 HydrophobicContact CG2-CE3 3.3Å; V236-W253 HydrophobicContact CG2-CH2 4.39Å; V236-W253 HydrophobicContact CG2-CZ3 3.31Å; D238-W253 WeakPolarHBondContact O-CB 3.3Å; L239-W253 HydrophobicContact CD1-CB 3.92Å; L239-W253 HydrophobicContact CD1-CG 4.16Å; W253-D255 HydrophobicContact CZ3-CB 4.25Å; W253-N267 HydrophobicContact CD2-CB 3.83Å; W253-N267 VanDerWaalsContact CE2-CB 3.5Å; W253-N267 HydrophobicContact CE3-CB 4.21Å; W253-N267 HydrophobicContact CG-CB 4.36Å; W253-N267 HydrophobicContact CH2-CB 3.99Å; W253-N267 WeakPolarHBondContact CH2-ND2 3.23Å; W253-N267 HydrophobicContact CZ2-CB 3.61Å; W253-N267 HydrophobicContact CZ3-CB 4.28Å; W253-N267 WeakPolarHBondContact CZ3-ND2 3.34Å; W253-N267 PolarHBondContact N-O 3.49Å; W253-N267 WeakPolarHBondContact O-CA 3.49Å; W253-N267 PolarHBondContact O-N 3.12Å; W253-N267 VanDerWaalsContact O-O 3.14Å; W253-T269 PolarHBondContact NE1-OG1 3.22Å; W253-W322 HydrophobicContact CH2-CB 3.51Å; W253-W322 WeakPolarHBondContact CH2-O 3.45Å; W253-W322 HydrophobicContact CZ2-CB 4.48Å; W253-W322 HydrophobicContact CZ3-CB 3.92Å
254	F	79	Confident	69.2	Low	8 Å²	8	63.1 Å²	63.1	4%	0.035	31%	0.309	C	S	.	.			trans	-132.7	153.9	172.8	72.2	-75.5	0	0	0	109.9	R144 F145 I148 D238	R144-F254 HydrophobicContact CB-CZ 4.35Å; R144-F254 HydrophobicContact CG-CE2 3.99Å; R144-F254 HydrophobicContact CG-CZ 4.26Å; F145-F254 HydrophobicContact CB-CD1 4.28Å; F145-F254 HydrophobicContact CB-CE1 3.67Å; F145-F254 HydrophobicContact CB-CZ 4.45Å; F145-F254 AromaticContact CD2-CD1 3.32Å; F145-F254 HydrophobicContact CD2-CD1 3.32Å; F145-F254 AromaticContact CD2-CE1 3.59Å; F145-F254 HydrophobicContact CD2-CE1 3.59Å; F145-F254 HydrophobicContact CD2-CG 4.44Å; F145-F254 AromaticContact CE2-CD1 3.98Å; F145-F254 HydrophobicContact CE2-CD1 3.98Å; F145-F254 HydrophobicContact CG-CD1 4.15Å; F145-F254 AromaticContact CG-CE1 3.95Å; F145-F254 HydrophobicContact CG-CE1 3.95Å; I148-F254 HydrophobicContact CD1-CB 4.25Å; I148-F254 HydrophobicContact CD1-CD2 3.89Å; I148-F254 HydrophobicContact CD1-CE2 4.38Å; I148-F254 HydrophobicContact CD1-CG 3.97Å; D238-F254 HydrophobicContact CB-CE1 4.4Å
255	D	72.1	Confident	68.2	Low	23 Å²	23	66.5 Å²	66.5	12%	0.123	33%	0.329	C	S	.	.			trans	-88	116.5	174.9	-165.2	-21.4	0	0	0	108.4	T235 W253 S257	T235-D255 WeakPolarHBondContact CB-OD1 3.33Å; T235-D255 PolarHBondContact OG1-OD1 2.99Å; W253-D255 HydrophobicContact CZ3-CB 4.25Å; D255-S257 VanDerWaalsContact C-N 3.28Å; D255-S257 WeakPolarHBondContact OD1-CB 3.45Å; D255-S257 PolarHBondContact OD1-N 2.92Å; D255-S257 VanDerWaalsContact OD1-N 3.09Å; D255-S257 PolarHBondContact OD1-OG 2.79Å
256	S	61	Low	67.8	Low	28 Å²	28	63 Å²	63	20%	0.196	32%	0.315	C	S	.	.			trans	-85.7	6.5	179	72.7	0	0	0	0	113.9	T235 E258	T235-S256 WeakPolarHBondContact O-CA 3.5Å; T235-S256 WeakPolarHBondContact O-CB 3.25Å; T235-S256 PolarHBondContact O-N 2.64Å; T235-S256 PolarHBondContact O-OG 2.88Å; S256-E258 PolarHBondContact O-N 3.03Å
257	S	57.8	Low	67.8	Low	25 Å²	25	60.5 Å²	60.5	18%	0.175	30%	0.302	C	S	.	.			trans	-50.2	133.1	174.6	44.4	0	0	0	0	111.2	D255 D259 V260	D255-S257 VanDerWaalsContact C-N 3.28Å; D255-S257 WeakPolarHBondContact OD1-CB 3.45Å; D255-S257 PolarHBondContact OD1-N 2.92Å; D255-S257 VanDerWaalsContact OD1-N 3.09Å; D255-S257 PolarHBondContact OD1-OG 2.79Å; S257-D259 PolarHBondContact O-N 2.82Å; S257-V260 PolarHBondContact O-N 2.82Å
258	E	48	Very low	67.8	Low	151 Å²	151	63.5 Å²	63.5	71%	0.706	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.6	-175.7	-69.7	-170.7	165.1	0	0	112	S256 V260 Y261	S256-E258 PolarHBondContact O-N 3.03Å; E258-V260 PolarHBondContact O-N 2.93Å; E258-V260 VanDerWaalsContact O-N 3.13Å; E258-Y261 HydrophobicContact CB-CE2 4.48Å; E258-Y261 WeakPolarHBondContact O-CD2 3.37Å; E258-Y261 WeakPolarHBondContact O-CE2 3.32Å
259	D	46.4	Very low	67.7	Low	165 Å²	165	61.3 Å²	61.3	88%	0.882	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.5	-177.2	-69.8	-31	0	0	0	114.5	S257 Y261	S257-D259 PolarHBondContact O-N 2.82Å; D259-Y261 PolarHBondContact O-N 3.12Å
260	V	44.3	Very low	67.6	Low	56 Å²	56	65.5 Å²	65.5	34%	0.339	33%	0.326	S	S	.	.			trans	-100.8	51	175.9	-161.5	0	0	0	0	110.3	S257 E258 N262 K263	S257-V260 PolarHBondContact O-N 2.82Å; E258-V260 PolarHBondContact O-N 2.93Å; E258-V260 VanDerWaalsContact O-N 3.13Å; V260-N262 PolarHBondContact O-N 2.85Å; V260-K263 HydrophobicContact CG1-CB 4.11Å
261	Y	43.1	Very low	67.5	Low	186 Å²	186	66.2 Å²	66.2	73%	0.729	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.5	173.8	-100.1	-77.6	0	0	0	112.9	E258 D259	E258-Y261 HydrophobicContact CB-CE2 4.48Å; E258-Y261 WeakPolarHBondContact O-CD2 3.37Å; E258-Y261 WeakPolarHBondContact O-CE2 3.32Å; D259-Y261 PolarHBondContact O-N 3.12Å
262	N	44.3	Very low	67.3	Low	159 Å²	159	69.6 Å²	69.6	85%	0.85	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	3	-165.9	-73	-2.3	0	0	0	116.1	V260	V260-N262 PolarHBondContact O-N 2.85Å
263	K	45.8	Very low	67.1	Low	154 Å²	154	70.1 Å²	70.1	67%	0.67	36%	0.355	S	S	*	.			trans	-136.2	97.8	178.1	-84.4	-170	-180	-178.3	0	110.4	V260 V265	V260-K263 HydrophobicContact CG1-CB 4.11Å; K263-V265 HydrophobicContact CB-CG2 3.75Å; K263-V265 HydrophobicContact CD-CG2 4.44Å; K263-V265 HydrophobicContact CG-CG2 4.38Å; K263-V265 PolarHBondContact O-N 3.21Å
264	K	55.4	Low	66.7	Low	101 Å²	101	71.3 Å²	71.3	44%	0.439	36%	0.363	S	S	.	.			trans	-62.9	59.6	166.7	-71.9	177.9	172.7	167.9	0	110.8	I148 I152 E153	I148-K264 HydrophobicContact CG1-CB 4.32Å; I148-K264 HydrophobicContact CG1-CG 4.28Å; I148-K264 HydrophobicContact CG2-CB 4.35Å; I152-K264 PolarHBondContact O-NZ 3.12Å; E153-K264 VanDerWaalsContact C-NZ 3.28Å; E153-K264 VanDerWaalsContact CA-NZ 3.28Å; E153-K264 PolarHBondContact O-NZ 3.33Å
265	V	66	Low	66.7	Low	74 Å²	74	79.8 Å²	79.8	45%	0.448	40%	0.403	S	S	.	.			trans	-98.9	107.5	-174.3	176.9	0	0	0	0	108.8	K263 N267	K263-V265 HydrophobicContact CB-CG2 3.75Å; K263-V265 HydrophobicContact CD-CG2 4.44Å; K263-V265 HydrophobicContact CG-CG2 4.38Å; K263-V265 PolarHBondContact O-N 3.21Å; V265-N267 PolarHBondContact O-N 3.26Å
266	L	76.1	Confident	67.1	Low	32 Å²	32	79.5 Å²	79.5	17%	0.168	40%	0.403	C	S	.	.			trans	-59.9	124.8	162.5	-76.9	151.3	0	0	0	108.7	F145 I148 L149 V252	F145-L266 HydrophobicContact CD2-CD2 4.4Å; F145-L266 HydrophobicContact CE2-CD2 3.8Å; I148-L266 HydrophobicContact CG2-CD1 3.82Å; I148-L266 HydrophobicContact CG2-CD2 4.1Å; I148-L266 HydrophobicContact CG2-CG 3.53Å; L149-L266 HydrophobicContact CD2-CD1 3.99Å; L149-L266 HydrophobicContact CD2-CD2 4.01Å; L149-L266 HydrophobicContact CG-CD2 4.41Å; V252-L266 HydrophobicContact CG1-CD2 3.56Å
267	N	81.2	Confident	68	Low	19 Å²	19	81.3 Å²	81.3	10%	0.102	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.2	167.6	-70.5	-54.1	0	0	0	108.4	W253 V265 R321	W253-N267 HydrophobicContact CD2-CB 3.83Å; W253-N267 VanDerWaalsContact CE2-CB 3.5Å; W253-N267 HydrophobicContact CE3-CB 4.21Å; W253-N267 HydrophobicContact CG-CB 4.36Å; W253-N267 HydrophobicContact CH2-CB 3.99Å; W253-N267 WeakPolarHBondContact CH2-ND2 3.23Å; W253-N267 HydrophobicContact CZ2-CB 3.61Å; W253-N267 HydrophobicContact CZ3-CB 4.28Å; W253-N267 WeakPolarHBondContact CZ3-ND2 3.34Å; W253-N267 PolarHBondContact N-O 3.49Å; W253-N267 WeakPolarHBondContact O-CA 3.49Å; W253-N267 PolarHBondContact O-N 3.12Å; W253-N267 VanDerWaalsContact O-O 3.14Å; V265-N267 PolarHBondContact O-N 3.26Å; N267-R321 PolarHBondContact OD1-NH2 3.41Å
268	I	81.4	Confident	69.2	Low	65 Å²	65	83.3 Å²	83.3	33%	0.333	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.6	176.9	-63.4	166.4	0	0	0	107.7	F192 I250 V252 E270	F192-I268 HydrophobicContact CB-CD1 3.52Å; F192-I268 HydrophobicContact CB-CG1 4.49Å; F192-I268 HydrophobicContact CG-CD1 4.2Å; I250-I268 HydrophobicContact CD1-CG2 3.43Å; I250-I268 VanDerWaalsContact CD1-CG2 3.43Å; I250-I268 HydrophobicContact CG1-CG2 3.64Å; V252-I268 HydrophobicContact CG2-CG1 4.47Å; I268-E270 HydrophobicContact CG2-CG 4.35Å
269	T	83	Confident	71	Confident	25 Å²	25	78.7 Å²	78.7	15%	0.153	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	112.5	175.1	-53.7	0	0	0	0	109.1	G251 W253 L324	G251-T269 PolarHBondContact N-O 3.27Å; G251-T269 PolarHBondContact O-N 3.5Å; W253-T269 PolarHBondContact NE1-OG1 3.22Å; T269-L324 HydrophobicContact CG2-CB 4.13Å; T269-L324 HydrophobicContact CG2-CD2 4.5Å
270	E	84.5	Confident	72.9	Confident	95 Å²	95	71.1 Å²	71.1	44%	0.444	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	145.3	176.2	-59.3	-177.5	167.8	0	0	110.4	S195 G249 I268	S195-E270 VanDerWaalsContact CB-CD 3.44Å; S195-E270 WeakPolarHBondContact CB-OE1 3.49Å; S195-E270 WeakPolarHBondContact CB-OE2 3.23Å; S195-E270 PolarHBondContact N-OE1 3.13Å; S195-E270 PolarHBondContact OG-OE1 3.11Å; S195-E270 VanDerWaalsContact OG-OE1 3.04Å; S195-E270 PolarHBondContact OG-OE2 3.23Å; G249-E270 WeakPolarHBondContact O-CA 3.44Å; I268-E270 HydrophobicContact CG2-CG 4.35Å
271	F	85.4	Confident	74.7	Confident	20 Å²	20	71.1 Å²	71.1	9%	0.088	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	157.2	176.6	63.3	-89.5	0	0	0	110	I241 L243 G249 L273 F304 C326	I241-F271 HydrophobicContact CG2-CE1 4.15Å; I241-F271 HydrophobicContact CG2-CZ 3.77Å; L243-F271 HydrophobicContact CD2-CE2 3.73Å; L243-F271 HydrophobicContact CD2-CZ 3.84Å; G249-F271 WeakPolarHBondContact CA-O 3.47Å; G249-F271 PolarHBondContact N-O 2.61Å; G249-F271 PolarHBondContact O-N 3.05Å; F271-L273 HydrophobicContact CD2-CD2 4.24Å; F271-L273 HydrophobicContact CE2-CD2 4.09Å; F271-L273 HydrophobicContact CE2-CG 4.47Å; F271-F304 HydrophobicContact CD1-CE1 4.2Å; F271-F304 HydrophobicContact CD1-CZ 4.48Å; F271-F304 AromaticContact CE1-CE1 3.78Å; F271-F304 HydrophobicContact CE1-CE1 3.78Å; F271-F304 AromaticContact CE1-CZ 3.79Å; F271-F304 HydrophobicContact CE1-CZ 3.79Å; F271-F304 HydrophobicContact CE2-CZ 4.13Å; F271-F304 HydrophobicContact CZ-CE1 4.08Å; F271-F304 AromaticContact CZ-CZ 3.6Å; F271-F304 HydrophobicContact CZ-CZ 3.6Å; F271-C326 HydrophobicContact CB-CB 3.89Å; F271-C326 HydrophobicContact CD1-CB 4.23Å; F271-C326 HydrophobicContact CD2-CB 4.43Å; F271-C326 WeakPolarHBondContact CD2-SG 3.49Å; F271-C326 HydrophobicContact CG-CB 3.94Å; F271-C326 WeakPolarHBondContact CG-SG 3.46Å
272	S	83.5	Confident	76.7	Confident	71 Å²	71	65.4 Å²	65.4	50%	0.497	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.4	174.1	52.6	0	0	0	0	110.1
273	L	84	Confident	78.8	Confident	13 Å²	13	58.5 Å²	58.5	7%	0.068	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-78.9	157.7	170	-57.6	-177.9	0	0	0	109.6	L243 G247 F271 Q275 I280 V292 V302 W354	L243-L273 HydrophobicContact CD1-CD1 4.45Å; L243-L273 HydrophobicContact CD2-CD1 4.14Å; G247-L273 PolarHBondContact O-N 2.95Å; F271-L273 HydrophobicContact CD2-CD2 4.24Å; F271-L273 HydrophobicContact CE2-CD2 4.09Å; F271-L273 HydrophobicContact CE2-CG 4.47Å; L273-Q275 PolarHBondContact O-N 3.32Å; L273-I280 HydrophobicContact CD1-CD1 4.05Å; L273-V292 HydrophobicContact CD1-CG1 4.44Å; L273-V292 HydrophobicContact CD1-CG2 4.25Å; L273-V302 HydrophobicContact CD2-CG1 4.39Å; L273-V302 HydrophobicContact CD2-CG2 3.44Å; L273-V302 VanDerWaalsContact CD2-CG2 3.44Å; L273-W354 HydrophobicContact CB-CZ2 4.47Å; L273-W354 HydrophobicContact CD1-CH2 4.44Å; L273-W354 HydrophobicContact CD1-CZ2 4.32Å
274	P	78.4	Confident	80.8	Confident	28 Å²	28	54.7 Å²	54.7	18%	0.182	29%	0.29	C	S	.	.	S	Bend	trans	-52.3	143	166.5	-23.2	33.4	0	0	0	110.1	S276 M300 P352 W354	P274-S276 PolarHBondContact O-N 2.91Å; P274-M300 HydrophobicContact CB-CE 4.45Å; P274-M300 HydrophobicContact CG-CE 4.03Å; P274-P352 HydrophobicContact CG-CB 4.48Å; P274-P352 HydrophobicContact CG-CG 4.26Å; P274-W354 PolarHBondContact O-NE1 2.82Å
275	Q	79.6	Confident	82.2	Confident	185 Å²	185	51.3 Å²	51.3	86%	0.864	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-46.2	117.2	-176.7	-174.7	175.9	4.3	0	0	110.8	L273 W354	L273-Q275 PolarHBondContact O-N 3.32Å; Q275-W354 PolarHBondContact O-NE1 3.07Å
276	S	79.9	Confident	82.8	Confident	18 Å²	18	50.6 Å²	50.6	13%	0.126	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-69.9	136.7	-178.7	-167.1	0	0	0	0	109.9	P274 D278 T294	P274-S276 PolarHBondContact O-N 2.91Å; S276-D278 WeakPolarHBondContact CB-O 3.19Å; S276-D278 PolarHBondContact O-N 2.72Å; S276-D278 PolarHBondContact OG-O 3.06Å; S276-T294 WeakPolarHBondContact OG-CG2 3.4Å
277	P	79.6	Confident	82.9	Confident	65 Å²	65	51.8 Å²	51.8	42%	0.422	29%	0.292	S	S	.	.	S	Bend	trans	-65	-31.3	176	25.6	-33.7	0	0	0	112.2	T294 H298 W354	P277-T294 HydrophobicContact CG-CG2 4.39Å; P277-H298 HydrophobicContact CG-CB 4.08Å; P277-W354 HydrophobicContact CG-CB 4.18Å; P277-W354 HydrophobicContact CG-CG 4.3Å
278	D	84	Confident	82.9	Confident	67 Å²	67	52 Å²	52	36%	0.358	30%	0.295	S	S	.	.	S	Bend	trans	-144.8	164	-178.5	-69	-71.4	0	0	0	110.1	S276 I280 Q295 S296	S276-D278 WeakPolarHBondContact CB-O 3.19Å; S276-D278 PolarHBondContact O-N 2.72Å; S276-D278 PolarHBondContact OG-O 3.06Å; D278-I280 PolarHBondContact O-N 3.36Å; D278-Q295 HydrophobicContact CB-CB 4.5Å; D278-S296 WeakPolarHBondContact OD2-CB 3.37Å; D278-S296 PolarHBondContact OD2-OG 3.42Å
279	P	85.3	Confident	83.1	Confident	55 Å²	55	50.3 Å²	50.3	36%	0.357	28%	0.284	S	S	.	.			trans	-51.9	132.6	179.1	-28.6	36.5	0	0	0	112.5	K245 T281 T294 Q295	K245-P279 HydrophobicContact CB-CB 4.33Å; K245-P279 WeakPolarHBondContact O-CA 3.3Å; P279-T281 PolarHBondContact O-N 3.45Å; P279-T294 CarbonylContact O-C 3.55Å; P279-T294 WeakPolarHBondContact O-CA 3.44Å; P279-Q295 PolarHBondContact O-N 3.3Å
280	I	86.1	Confident	83.3	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	131.2	171.5	-67	170.7	0	0	0	108.6	T202 K245 L273 D278 V292 W354	T202-I280 HydrophobicContact CG2-CG2 3.94Å; K245-I280 PolarHBondContact O-N 2.95Å; L273-I280 HydrophobicContact CD1-CD1 4.05Å; D278-I280 PolarHBondContact O-N 3.36Å; I280-V292 HydrophobicContact CB-CG1 4.37Å; I280-V292 HydrophobicContact CD1-CG1 3.95Å; I280-V292 HydrophobicContact CG1-CG1 4.02Å; I280-V292 HydrophobicContact CG2-CG1 3.47Å; I280-V292 VanDerWaalsContact CG2-CG1 3.47Å; I280-W354 HydrophobicContact CD1-CH2 4.2Å; I280-W354 HydrophobicContact CD1-CZ2 4.45Å; I280-W354 HydrophobicContact CG1-CH2 4.12Å
281	T	81.6	Confident	83.6	Confident	56 Å²	56	44.6 Å²	44.6	34%	0.344	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-40.5	-177.3	51.1	0	0	0	0	112.3	P279 I293 Q295	P279-T281 PolarHBondContact O-N 3.45Å; T281-I293 PolarHBondContact N-O 3.04Å; T281-I293 PolarHBondContact OG1-O 3.41Å; T281-Q295 HydrophobicContact CG2-CB 3.68Å; T281-Q295 HydrophobicContact CG2-CG 4.29Å
282	K	85.6	Confident	83.8	Confident	67 Å²	67	43.6 Å²	43.6	29%	0.291	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.3	-172.5	-65.1	-177.5	178.3	173.5	0	111.6	I293 D361	K282-I293 PolarHBondContact N-O 2.9Å; K282-I293 PolarHBondContact O-N 3.28Å; K282-D361 VanDerWaalsContact CD-OD1 3.23Å; K282-D361 WeakPolarHBondContact CD-OD1 3.32Å; K282-D361 IonicContact NZ-OD1 3.19Å; K282-D361 PolarHBondContact NZ-OD1 2.93Å; K282-D361 IonicContact NZ-OD2 3.34Å; K282-D361 PolarHBondContact NZ-OD2 3.42Å
283	C	88.2	Confident	84.1	Confident	14 Å²	14	40.2 Å²	40.2	10%	0.095	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.8	168.2	67.3	0	0	0	0	112.5	T202 W203 L243 L290 H291 V292	T202-C283 HydrophobicContact CG2-CB 4.08Å; T202-C283 VanDerWaalsContact CG2-SG 3.6Å; T202-C283 PolarHBondContact OG1-N 2.95Å; T202-C283 PolarHBondContact OG1-SG 3.18Å; W203-C283 PolarHBondContact O-SG 2.95Å; W203-C283 VanDerWaalsContact O-SG 3.41Å; L243-C283 HydrophobicContact CD1-CB 4.08Å; C283-L290 HydrophobicContact CB-CD1 3.92Å; C283-L290 HydrophobicContact CB-CG 4.35Å; C283-H291 CarbonylContact C-O 3.53Å; C283-H291 WeakPolarHBondContact CA-O 3.48Å; C283-V292 HydrophobicContact CB-CG2 4.13Å
284	R	87.2	Confident	84.4	Confident	74 Å²	74	39.7 Å²	39.7	28%	0.279	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	129.4	178.3	-164.9	75.1	-177.9	171.1	8.1	111.7	S129 H291 F362 L370	S129-R284 PolarHBondContact OG-NH2 3.5Å; R284-H291 PolarHBondContact N-O 2.79Å; R284-H291 PolarHBondContact O-N 3.45Å; R284-F362 HydrophobicContact CB-CB 4.13Å; R284-F362 HydrophobicContact CB-CD1 4.21Å; R284-F362 HydrophobicContact CB-CD2 3.43Å; R284-F362 VanDerWaalsContact CB-CD2 3.43Å; R284-F362 HydrophobicContact CB-CE1 4.5Å; R284-F362 HydrophobicContact CB-CE2 3.74Å; R284-F362 HydrophobicContact CB-CG 3.67Å; R284-F362 HydrophobicContact CB-CZ 4.27Å; R284-F362 HydrophobicContact CG-CB 4.21Å; R284-F362 HydrophobicContact CG-CD2 4.39Å; R284-F362 HydrophobicContact CG-CG 4.24Å; R284-L370 HydrophobicContact CB-CD2 4.43Å; R284-L370 HydrophobicContact CG-CD1 3.85Å; R284-L370 HydrophobicContact CG-CD2 4.1Å
285	A	84.6	Confident	84.7	Confident	29 Å²	29	45.2 Å²	45.2	24%	0.24	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	141.8	174.2	0	0	0	0	0	112.1	A204 F205 I206 W289	A204-A285 HydrophobicContact CB-CB 4.49Å; F205-A285 WeakPolarHBondContact O-CB 3.21Å; I206-A285 HydrophobicContact CG1-CB 3.8Å; A285-W289 CarbonylContact C-O 3.59Å; A285-W289 VanDerWaalsContact CA-O 3.25Å; A285-W289 WeakPolarHBondContact CA-O 3.01Å
286	Q	79.4	Confident	84.9	Confident	59 Å²	59	38.5 Å²	38.5	28%	0.276	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	102.5	170.8	-177.3	-178.3	-11.9	0	0	109.6	S288 W289 L370	Q286-S288 PolarHBondContact O-N 3.09Å; Q286-W289 PolarHBondContact N-O 2.94Å; Q286-W289 WeakPolarHBondContact O-CB 3.42Å; Q286-W289 PolarHBondContact O-N 3.07Å; Q286-L370 HydrophobicContact CB-CD2 4.06Å
287	G	78.7	Confident	85	Confident	58 Å²	58	37.7 Å²	37.7	60%	0.598	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	-128.5	-172.5	0	0	0	0	0	110.6	I206 W289	I206-G287 WeakPolarHBondContact CG2-O 3.5Å; G287-W289 PolarHBondContact O-N 3.4Å
288	S	81.2	Confident	85.4	Confident	22 Å²	22	36.1 Å²	36.1	15%	0.154	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	7.6	175	59.8	0	0	0	0	114.5	Q286 H303 F304	Q286-S288 PolarHBondContact O-N 3.09Å; S288-H303 PolarHBondContact OG-CD2 2.84Å; S288-H303 PolarHBondContact OG-NE2 3.34Å; S288-F304 WeakPolarHBondContact CB-O 3.27Å; S288-F304 PolarHBondContact O-N 2.89Å
289	W	85	Confident	85.6	Confident	30 Å²	30	33 Å²	33	11%	0.114	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	146.1	-177.2	-66.1	83.7	0	0	0	111.9	A285 Q286 G287 V302 H303 T329 F331 R333 P335	A285-W289 CarbonylContact C-O 3.59Å; A285-W289 VanDerWaalsContact CA-O 3.25Å; A285-W289 WeakPolarHBondContact CA-O 3.01Å; Q286-W289 PolarHBondContact N-O 2.94Å; Q286-W289 WeakPolarHBondContact O-CB 3.42Å; Q286-W289 PolarHBondContact O-N 3.07Å; G287-W289 PolarHBondContact O-N 3.4Å; W289-V302 CarbonylContact C-O 3.55Å; W289-V302 WeakPolarHBondContact CA-O 3.37Å; W289-H303 HydrophobicContact CD2-CB 4.21Å; W289-H303 AromaticContact CD2-CD2 3.9Å; W289-H303 AromaticContact CE2-CD2 3.46Å; W289-H303 VanDerWaalsContact CE2-CD2 3.46Å; W289-H303 HydrophobicContact CE3-CB 4Å; W289-H303 HydrophobicContact CH2-CB 4.02Å; W289-H303 HydrophobicContact CZ2-CB 4.2Å; W289-H303 AromaticContact CZ2-CD2 3.75Å; W289-H303 HydrophobicContact CZ3-CB 3.94Å; W289-H303 AromaticContact NE1-CD2 3.55Å; W289-T329 WeakPolarHBondContact CH2-OG1 3.5Å; W289-T329 WeakPolarHBondContact CZ3-OG1 3.44Å; W289-F331 AromaticContact CD2-CD2 3.72Å; W289-F331 HydrophobicContact CD2-CD2 3.72Å; W289-F331 HydrophobicContact CD2-CE2 4.33Å; W289-F331 AromaticContact CE2-CD2 3.7Å; W289-F331 HydrophobicContact CE3-CB 4.26Å; W289-F331 AromaticContact CE3-CD2 3.94Å; W289-F331 HydrophobicContact CE3-CD2 3.94Å; W289-F331 HydrophobicContact CG-CD2 4.21Å; W289-F331 HydrophobicContact CG-CE2 4.47Å; W289-F331 HydrophobicContact CH2-CD2 4.12Å; W289-F331 AromaticContact CZ2-CD2 3.94Å; W289-F331 HydrophobicContact CZ2-CD2 3.94Å; W289-F331 HydrophobicContact CZ3-CB 4.04Å; W289-F331 HydrophobicContact CZ3-CD2 4.1Å; W289-R333 WeakPolarHBondContact CH2-O 3.2Å; W289-P335 HydrophobicContact CH2-CG 3.91Å; W289-P335 HydrophobicContact CZ2-CG 3.94Å
290	L	88.5	Confident	85.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.8	167.3	-177	70.4	0	0	0	108.7	A204 I241 L243 C283 V292 S301 V302 F304	A204-L290 HydrophobicContact CB-CD1 3.33Å; I241-L290 HydrophobicContact CD1-CD2 4.29Å; I241-L290 HydrophobicContact CG2-CD2 3.88Å; L243-L290 HydrophobicContact CD1-CD2 4Å; C283-L290 HydrophobicContact CB-CD1 3.92Å; C283-L290 HydrophobicContact CB-CG 4.35Å; L290-V292 HydrophobicContact CD2-CG2 4.08Å; L290-V292 HydrophobicContact CG-CG2 4.03Å; L290-S301 CarbonylContact O-C 3.53Å; L290-S301 WeakPolarHBondContact O-CA 3.32Å; L290-V302 HydrophobicContact CB-CB 4.3Å; L290-V302 PolarHBondContact N-O 3.37Å; L290-V302 PolarHBondContact O-N 2.95Å; L290-F304 HydrophobicContact CB-CD2 4.26Å; L290-F304 HydrophobicContact CB-CE2 3.73Å; L290-F304 HydrophobicContact CD2-CE2 4.01Å; L290-F304 HydrophobicContact CD2-CZ 4.39Å
291	H	89.8	Confident	85.8	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.7	174.5	-57	-72.8	0	0	0	108.9	C283 R284 L299 M300 S301 F331 F362 L382	C283-H291 CarbonylContact C-O 3.53Å; C283-H291 WeakPolarHBondContact CA-O 3.48Å; R284-H291 PolarHBondContact N-O 2.79Å; R284-H291 PolarHBondContact O-N 3.45Å; H291-L299 HydrophobicContact CB-CD1 4.27Å; H291-M300 WeakPolarHBondContact CA-O 3.49Å; H291-S301 WeakPolarHBondContact ND1-CB 3.44Å; H291-S301 PolarHBondContact ND1-OG 2.79Å; H291-F331 AromaticContact CE1-CG 3.91Å; H291-F362 HydrophobicContact CB-CE1 3.78Å; H291-F362 HydrophobicContact CB-CE2 4.45Å; H291-F362 HydrophobicContact CB-CZ 3.49Å; H291-F362 VanDerWaalsContact CB-CZ 3.49Å; H291-L382 HydrophobicContact CB-CD2 4.24Å
292	V	90.5	Very high	86.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.6	-171.4	-172.9	0	0	0	0	109.5	L243 L273 I280 C283 L290 L299 M300 W354	L243-V292 HydrophobicContact CD1-CG1 4.03Å; L243-V292 HydrophobicContact CD1-CG2 3.7Å; L273-V292 HydrophobicContact CD1-CG1 4.44Å; L273-V292 HydrophobicContact CD1-CG2 4.25Å; I280-V292 HydrophobicContact CB-CG1 4.37Å; I280-V292 HydrophobicContact CD1-CG1 3.95Å; I280-V292 HydrophobicContact CG1-CG1 4.02Å; I280-V292 HydrophobicContact CG2-CG1 3.47Å; I280-V292 VanDerWaalsContact CG2-CG1 3.47Å; C283-V292 HydrophobicContact CB-CG2 4.13Å; L290-V292 HydrophobicContact CD2-CG2 4.08Å; L290-V292 HydrophobicContact CG-CG2 4.03Å; V292-L299 WeakPolarHBondContact O-CA 3.46Å; V292-M300 PolarHBondContact N-O 2.68Å; V292-M300 PolarHBondContact O-N 3.35Å; V292-W354 HydrophobicContact CB-CH2 4.17Å; V292-W354 HydrophobicContact CB-CZ3 4.41Å; V292-W354 HydrophobicContact CG1-CH2 3.86Å; V292-W354 HydrophobicContact CG1-CZ3 4.33Å
293	I	89.4	Confident	86.1	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.5	-179.6	-65.5	164.4	0	0	0	109.8	T281 K282 H298 L299 V359 F362	T281-I293 PolarHBondContact N-O 3.04Å; T281-I293 PolarHBondContact OG1-O 3.41Å; K282-I293 PolarHBondContact N-O 2.9Å; K282-I293 PolarHBondContact O-N 3.28Å; I293-H298 VanDerWaalsContact CA-O 3.32Å; I293-H298 WeakPolarHBondContact CA-O 3.43Å; I293-L299 HydrophobicContact CG1-CD1 3.86Å; I293-V359 HydrophobicContact CD1-CB 4.19Å; I293-V359 HydrophobicContact CD1-CG1 3.44Å; I293-V359 VanDerWaalsContact CD1-CG1 3.44Å; I293-V359 HydrophobicContact CG1-CB 4.33Å; I293-V359 HydrophobicContact CG1-CG1 4.08Å; I293-V359 WeakPolarHBondContact CG2-O 3.31Å; I293-F362 HydrophobicContact CB-CE2 4.45Å; I293-F362 HydrophobicContact CD1-CD1 4.15Å; I293-F362 HydrophobicContact CD1-CD2 3.5Å; I293-F362 VanDerWaalsContact CD1-CD2 3.5Å; I293-F362 HydrophobicContact CD1-CE1 3.84Å; I293-F362 HydrophobicContact CD1-CE2 3.16Å; I293-F362 HydrophobicContact CD1-CG 4.01Å; I293-F362 HydrophobicContact CD1-CZ 3.34Å; I293-F362 HydrophobicContact CG1-CD2 4.39Å; I293-F362 HydrophobicContact CG1-CE1 4.28Å; I293-F362 HydrophobicContact CG1-CE2 3.56Å; I293-F362 HydrophobicContact CG1-CZ 3.49Å; I293-F362 VanDerWaalsContact CG1-CZ 3.49Å
294	T	89.4	Confident	86	Confident	2 Å²	2	24.1 Å²	24.1	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	166.2	170.2	71.8	0	0	0	0	112	S276 P277 P279 S296 G297 H298 W354	S276-T294 WeakPolarHBondContact OG-CG2 3.4Å; P277-T294 HydrophobicContact CG-CG2 4.39Å; P279-T294 CarbonylContact O-C 3.55Å; P279-T294 WeakPolarHBondContact O-CA 3.44Å; T294-S296 PolarHBondContact O-N 2.92Å; T294-S296 PolarHBondContact OG1-OG 2.65Å; T294-G297 PolarHBondContact O-N 3.3Å; T294-H298 HydrophobicContact CG2-CB 4.07Å; T294-H298 PolarHBondContact N-O 2.79Å; T294-H298 WeakPolarHBondContact OG1-CB 3.2Å; T294-H298 PolarHBondContact OG1-N 2.81Å; T294-W354 HydrophobicContact CG2-CD2 4.31Å; T294-W354 HydrophobicContact CG2-CE3 3.63Å; T294-W354 HydrophobicContact CG2-CH2 3.95Å; T294-W354 HydrophobicContact CG2-CZ3 3.43Å; T294-W354 VanDerWaalsContact CG2-CZ3 3.43Å
295	Q	84.3	Confident	85.7	Confident	143 Å²	143	20.7 Å²	20.7	67%	0.668	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-34	176.4	-171.9	174.4	-5.8	0	0	113.8	D278 P279 T281 G297	D278-Q295 HydrophobicContact CB-CB 4.5Å; P279-Q295 PolarHBondContact O-N 3.3Å; T281-Q295 HydrophobicContact CG2-CB 3.68Å; T281-Q295 HydrophobicContact CG2-CG 4.29Å; Q295-G297 VanDerWaalsContact C-N 3.26Å; Q295-G297 PolarHBondContact O-N 2.78Å
296	S	83.8	Confident	85.3	Confident	44 Å²	44	19.4 Å²	19.4	31%	0.308	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-3	176.1	52	0	0	0	0	114.5	D278 T294 H298	D278-S296 WeakPolarHBondContact OD2-CB 3.37Å; D278-S296 PolarHBondContact OD2-OG 3.42Å; T294-S296 PolarHBondContact O-N 2.92Å; T294-S296 PolarHBondContact OG1-OG 2.65Å; S296-H298 PolarHBondContact OG-CE1 3.05Å; S296-H298 PolarHBondContact OG-ND1 2.78Å
297	G	82.9	Confident	85	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.01	12%	0.117	C	C	.	.			trans	83.5	23.5	179.6	0	0	0	0	0	115.1	T294 Q295 N358 V359	T294-G297 PolarHBondContact O-N 3.3Å; Q295-G297 VanDerWaalsContact C-N 3.26Å; Q295-G297 PolarHBondContact O-N 2.78Å; G297-N358 PolarHBondContact O-N 2.7Å; G297-V359 WeakPolarHBondContact CA-O 3.44Å; G297-V359 PolarHBondContact O-N 3.19Å; G297-V359 VanDerWaalsContact O-N 3.13Å
298	H	88.1	Confident	84.3	Confident	33 Å²	33	19.1 Å²	19.1	15%	0.153	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	142.1	166.8	-65.9	74.8	0	0	0	110.4	P277 I293 T294 S296 W354 R355	P277-H298 HydrophobicContact CG-CB 4.08Å; I293-H298 VanDerWaalsContact CA-O 3.32Å; I293-H298 WeakPolarHBondContact CA-O 3.43Å; T294-H298 HydrophobicContact CG2-CB 4.07Å; T294-H298 PolarHBondContact N-O 2.79Å; T294-H298 WeakPolarHBondContact OG1-CB 3.2Å; T294-H298 PolarHBondContact OG1-N 2.81Å; S296-H298 PolarHBondContact OG-CE1 3.05Å; S296-H298 PolarHBondContact OG-ND1 2.78Å; H298-W354 HydrophobicContact CB-CB 4.11Å; H298-W354 HydrophobicContact CB-CE3 4.04Å; H298-R355 CarbonylContact C-O 3.45Å; H298-R355 VanDerWaalsContact CA-O 3.29Å; H298-R355 WeakPolarHBondContact CA-O 3.36Å
299	L	88.3	Confident	83.3	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.6	-179.4	-179.5	71.6	0	0	0	110.5	H291 V292 I293 R355 L357 F362 L382 L386	H291-L299 HydrophobicContact CB-CD1 4.27Å; V292-L299 WeakPolarHBondContact O-CA 3.46Å; I293-L299 HydrophobicContact CG1-CD1 3.86Å; L299-R355 PolarHBondContact N-O 3.25Å; L299-R355 PolarHBondContact O-N 2.79Å; L299-L357 HydrophobicContact CB-CD1 4.35Å; L299-L357 HydrophobicContact CD2-CD1 4.02Å; L299-F362 HydrophobicContact CD1-CE1 4.06Å; L299-F362 HydrophobicContact CD1-CZ 3.78Å; L299-L382 HydrophobicContact CD2-CD1 3.68Å; L299-L386 HydrophobicContact CD2-CD1 4.28Å; L299-L386 HydrophobicContact CD2-CD2 3.71Å; L299-L386 HydrophobicContact CD2-CG 4.07Å
300	M	87.6	Confident	81.7	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.7	168.5	-179.6	65.4	75.4	0	0	109.6	P274 H291 V292 V302 P352 W354	P274-M300 HydrophobicContact CB-CE 4.45Å; P274-M300 HydrophobicContact CG-CE 4.03Å; H291-M300 WeakPolarHBondContact CA-O 3.49Å; V292-M300 PolarHBondContact N-O 2.68Å; V292-M300 PolarHBondContact O-N 3.35Å; M300-V302 HydrophobicContact CG-CG2 4.48Å; M300-P352 HydrophobicContact CE-CB 4.18Å; M300-P352 HydrophobicContact SD-CB 3.87Å; M300-W354 HydrophobicContact CB-CD2 3.84Å; M300-W354 HydrophobicContact CB-CE3 3.49Å; M300-W354 VanDerWaalsContact CB-CE3 3.49Å; M300-W354 HydrophobicContact CB-CH2 3.71Å; M300-W354 HydrophobicContact CB-CZ2 4.02Å; M300-W354 HydrophobicContact CB-CZ3 3.42Å; M300-W354 VanDerWaalsContact CB-CZ3 3.42Å; M300-W354 HydrophobicContact CE-CD2 4.07Å; M300-W354 HydrophobicContact CE-CG 3.93Å
301	S	88.1	Confident	79.3	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.014	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	148.4	171.1	-50.5	0	0	0	0	110.9	L290 H291 T329	L290-S301 CarbonylContact O-C 3.53Å; L290-S301 WeakPolarHBondContact O-CA 3.32Å; H291-S301 WeakPolarHBondContact ND1-CB 3.44Å; H291-S301 PolarHBondContact ND1-OG 2.79Å; S301-T329 CarbonylContact C-O 3.47Å; S301-T329 WeakPolarHBondContact CB-O 3.01Å; S301-T329 PolarHBondContact O-N 3.32Å
302	V	87.7	Confident	77	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.6	-174.6	-172.2	0	0	0	0	107.6	L273 W289 L290 M300 F304 C326	L273-V302 HydrophobicContact CD2-CG1 4.39Å; L273-V302 HydrophobicContact CD2-CG2 3.44Å; L273-V302 VanDerWaalsContact CD2-CG2 3.44Å; W289-V302 CarbonylContact C-O 3.55Å; W289-V302 WeakPolarHBondContact CA-O 3.37Å; L290-V302 HydrophobicContact CB-CB 4.3Å; L290-V302 PolarHBondContact N-O 3.37Å; L290-V302 PolarHBondContact O-N 2.95Å; M300-V302 HydrophobicContact CG-CG2 4.48Å; V302-F304 HydrophobicContact CB-CE2 4.1Å; V302-F304 HydrophobicContact CG1-CD2 4.33Å; V302-F304 HydrophobicContact CG1-CE2 3.66Å; V302-F304 HydrophobicContact CG1-CZ 3.99Å; V302-C326 WeakPolarHBondContact CG1-SG 3.18Å
303	H	86.4	Confident	74.6	Confident	7 Å²	7	45 Å²	45	3%	0.032	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.2	177.9	-177.4	-96.2	0	0	0	110.6	S288 W289 Q327 P335 H337	S288-H303 PolarHBondContact OG-CD2 2.84Å; S288-H303 PolarHBondContact OG-NE2 3.34Å; W289-H303 HydrophobicContact CD2-CB 4.21Å; W289-H303 AromaticContact CD2-CD2 3.9Å; W289-H303 AromaticContact CE2-CD2 3.46Å; W289-H303 VanDerWaalsContact CE2-CD2 3.46Å; W289-H303 HydrophobicContact CE3-CB 4Å; W289-H303 HydrophobicContact CH2-CB 4.02Å; W289-H303 HydrophobicContact CZ2-CB 4.2Å; W289-H303 AromaticContact CZ2-CD2 3.75Å; W289-H303 HydrophobicContact CZ3-CB 3.94Å; W289-H303 AromaticContact NE1-CD2 3.55Å; H303-Q327 PolarHBondContact N-O 3.39Å; H303-Q327 PolarHBondContact O-N 2.83Å; H303-P335 HydrophobicContact CB-CB 4.41Å; H303-P335 HydrophobicContact CB-CG 3.59Å; H303-P335 VanDerWaalsContact CG-CG 3.4Å; H303-H337 AromaticContact ND1-CE1 3.63Å
304	F	85.8	Confident	72.3	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.7	175.9	-70.7	-91.1	0	0	0	110.2	I206 L239 I241 F271 S288 L290 V302 L324 L325 C326	I206-F304 HydrophobicContact CD1-CB 4.13Å; I206-F304 HydrophobicContact CD1-CD2 3.67Å; I206-F304 HydrophobicContact CD1-CE2 4.41Å; I206-F304 HydrophobicContact CD1-CG 4.07Å; L239-F304 HydrophobicContact CD2-CB 4.12Å; L239-F304 HydrophobicContact CD2-CD1 3.99Å; L239-F304 HydrophobicContact CD2-CG 4.14Å; I241-F304 HydrophobicContact CD1-CD1 4.34Å; I241-F304 HydrophobicContact CD1-CD2 3.9Å; I241-F304 HydrophobicContact CD1-CE1 4.02Å; I241-F304 HydrophobicContact CD1-CE2 3.57Å; I241-F304 HydrophobicContact CD1-CG 4.28Å; I241-F304 HydrophobicContact CD1-CZ 3.62Å; I241-F304 HydrophobicContact CG1-CE1 4.46Å; I241-F304 HydrophobicContact CG1-CZ 4.3Å; I241-F304 HydrophobicContact CG2-CZ 4.4Å; F271-F304 HydrophobicContact CD1-CE1 4.2Å; F271-F304 HydrophobicContact CD1-CZ 4.48Å; F271-F304 AromaticContact CE1-CE1 3.78Å; F271-F304 HydrophobicContact CE1-CE1 3.78Å; F271-F304 AromaticContact CE1-CZ 3.79Å; F271-F304 HydrophobicContact CE1-CZ 3.79Å; F271-F304 HydrophobicContact CE2-CZ 4.13Å; F271-F304 HydrophobicContact CZ-CE1 4.08Å; F271-F304 AromaticContact CZ-CZ 3.6Å; F271-F304 HydrophobicContact CZ-CZ 3.6Å; S288-F304 WeakPolarHBondContact CB-O 3.27Å; S288-F304 PolarHBondContact O-N 2.89Å; L290-F304 HydrophobicContact CB-CD2 4.26Å; L290-F304 HydrophobicContact CB-CE2 3.73Å; L290-F304 HydrophobicContact CD2-CE2 4.01Å; L290-F304 HydrophobicContact CD2-CZ 4.39Å; V302-F304 HydrophobicContact CB-CE2 4.1Å; V302-F304 HydrophobicContact CG1-CD2 4.33Å; V302-F304 HydrophobicContact CG1-CE2 3.66Å; V302-F304 HydrophobicContact CG1-CZ 3.99Å; F304-L324 HydrophobicContact CB-CD1 4.37Å; F304-L324 HydrophobicContact CD1-CD1 4.15Å; F304-L324 HydrophobicContact CD1-CD2 3.93Å; F304-L324 HydrophobicContact CD1-CG 4.12Å; F304-L324 HydrophobicContact CE1-CD2 4.29Å; F304-L325 WeakPolarHBondContact CA-O 3.1Å; F304-C326 HydrophobicContact CD1-CB 4.13Å; F304-C326 HydrophobicContact CE1-CB 3.77Å; F304-C326 HydrophobicContact CZ-CB 4.37Å
305	S	80.8	Confident	70	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.014	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152	173.4	48	0	0	0	0	112	A210 L325 H337	A210-S305 CarbonylContact O-C 3.52Å; A210-S305 WeakPolarHBondContact O-CA 3.3Å; A210-S305 WeakPolarHBondContact O-CB 3.5Å; S305-L325 PolarHBondContact N-O 3.27Å; S305-L325 WeakPolarHBondContact O-CB 3.39Å; S305-L325 PolarHBondContact O-N 2.88Å; S305-H337 PolarHBondContact OG-CE1 3.23Å; S305-H337 PolarHBondContact OG-NE2 3.43Å
306	L	75.9	Confident	67.9	Low	1 Å²	1	61.2 Å²	61.2	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.6	174.9	-66.9	166.7	0	0	0	110.1	P209 A210 N212 V236 W322 N323 L324	P209-L306 HydrophobicContact CB-CD1 4.38Å; P209-L306 HydrophobicContact CB-CG 4.37Å; P209-L306 HydrophobicContact CG-CD1 3.92Å; P209-L306 HydrophobicContact CG-CG 4.25Å; A210-L306 PolarHBondContact O-N 3.26Å; N212-L306 WeakPolarHBondContact CB-O 3.29Å; N212-L306 PolarHBondContact N-O 2.87Å; V236-L306 HydrophobicContact CB-CD1 3.5Å; V236-L306 HydrophobicContact CG1-CD1 4.04Å; V236-L306 HydrophobicContact CG1-CD2 4.49Å; V236-L306 HydrophobicContact CG2-CD1 3.74Å; V236-L306 HydrophobicContact CG2-CD2 4.21Å; L306-W322 HydrophobicContact CB-CD2 4.48Å; L306-W322 HydrophobicContact CB-CE3 3.6Å; L306-W322 HydrophobicContact CB-CZ3 3.85Å; L306-N323 WeakPolarHBondContact CA-O 3.35Å; L306-L324 HydrophobicContact CD2-CB 4.39Å; L306-L324 HydrophobicContact CD2-CD1 3.83Å; L306-L324 HydrophobicContact CG-CD1 4.45Å
307	Q	73.8	Confident	65.8	Low	79 Å²	79	61.7 Å²	61.7	37%	0.369	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.6	174.5	-175.9	176.4	22.8	0	0	110.1	K309 N323 L325	Q307-K309 PolarHBondContact O-N 3.39Å; Q307-N323 PolarHBondContact N-O 3.22Å; Q307-N323 PolarHBondContact O-N 3.28Å; Q307-L325 HydrophobicContact CB-CD1 3.69Å; Q307-L325 HydrophobicContact CB-CG 4.16Å; Q307-L325 HydrophobicContact CG-CD1 4.46Å
308	L	64	Low	63.6	Low	32 Å²	32	71.3 Å²	71.3	17%	0.168	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	123.6	171.7	-152.9	80.7	0	0	0	109.5	V215 Q310 T320 W322	V215-L308 HydrophobicContact CG1-CB 4.25Å; V215-L308 HydrophobicContact CG1-CD2 4.13Å; L308-Q310 PolarHBondContact O-N 3.35Å; L308-T320 HydrophobicContact CD1-CG2 4.41Å; L308-T320 HydrophobicContact CD2-CG2 4.07Å; L308-T320 HydrophobicContact CG-CG2 4.45Å; L308-W322 HydrophobicContact CB-CE3 4.32Å; L308-W322 HydrophobicContact CB-CZ3 4.29Å; L308-W322 HydrophobicContact CD1-CD2 3.64Å; L308-W322 VanDerWaalsContact CD1-CE2 3.44Å; L308-W322 HydrophobicContact CD1-CE3 4.02Å; L308-W322 HydrophobicContact CD1-CG 4.16Å; L308-W322 HydrophobicContact CD1-CH2 4.12Å; L308-W322 HydrophobicContact CD1-CZ2 3.7Å; L308-W322 HydrophobicContact CD1-CZ3 4.26Å
309	K	60	Low	61.4	Low	118 Å²	118	73.8 Å²	73.8	51%	0.513	40%	0.397	S	S	.	.			trans	-74	120	164.7	-93.8	-176.4	172.1	-179.1	0	108.1	Q307 C311 R321	Q307-K309 PolarHBondContact O-N 3.39Å; K309-C311 PolarHBondContact O-N 3.13Å; K309-R321 WeakPolarHBondContact CB-O 3.49Å; K309-R321 PolarHBondContact N-O 3.19Å
310	Q	50.7	Low	59.6	Low	135 Å²	135	77 Å²	77	63%	0.631	42%	0.417	S	S	*	.			trans	-75.5	99.1	159.2	-75.6	-179.6	-15	0	0	107.5	L308 N312	L308-Q310 PolarHBondContact O-N 3.35Å; Q310-N312 PolarHBondContact O-N 3.41Å
311	C	38.4	Very low	58.3	Low	76 Å²	76	83.7 Å²	83.7	51%	0.514	44%	0.442	S	S	.	.			trans	-72.7	116	162.7	-101.2	0	0	0	0	107.7	K309 D313	K309-C311 PolarHBondContact O-N 3.13Å; C311-D313 PolarHBondContact O-N 3.08Å; C311-D313 VanDerWaalsContact O-N 3.16Å
312	N	41	Very low	57.3	Low	147 Å²	147	85.9 Å²	85.9	79%	0.786	45%	0.45	S	S	*	.			trans	-86.2	34.4	-179.9	-130.3	32.3	0	0	0	110.9	Q310 N314	Q310-N312 PolarHBondContact O-N 3.41Å; N312-N314 PolarHBondContact O-N 2.95Å
313	D	40.4	Very low	56.7	Low	120 Å²	120	88.7 Å²	88.7	64%	0.642	47%	0.465	S	S	*	.			trans	-81.7	112.4	179.4	-70.8	-33.4	0	0	0	108.1	C311 N315	C311-D313 PolarHBondContact O-N 3.08Å; C311-D313 VanDerWaalsContact O-N 3.16Å; D313-N315 PolarHBondContact O-N 3.22Å
314	N	40.4	Very low	56.3	Low	161 Å²	161	88.7 Å²	88.7	86%	0.861	47%	0.465	S	S	*	.			trans	-63.8	11.8	176.8	-83.1	-16.5	0	0	0	114.1	N312	N312-N314 PolarHBondContact O-N 2.95Å
315	N	40.8	Very low	56	Low	140 Å²	140	91 Å²	91	75%	0.749	48%	0.477	S	S	*	.	S	Bend	trans	-105.8	88.5	-179.1	-73.1	-13.6	0	0	0	109.7	D313 G317	D313-N315 PolarHBondContact O-N 3.22Å; N315-G317 PolarHBondContact O-N 3.47Å
316	N	41.1	Very low	55.9	Low	184 Å²	184	91.7 Å²	91.7	98%	0.984	48%	0.482	S	S	*	.	S	Bend	trans	24.9	17.2	154.6	-84.2	-1	0	0	0	123.1
317	G	39	Very low	56	Low	54 Å²	54	92.7 Å²	92.7	56%	0.557	49%	0.486	S	S	*	.			trans	-140.2	95.8	172	0	0	0	0	0	107.8	N315 S319	N315-G317 PolarHBondContact O-N 3.47Å; G317-S319 PolarHBondContact O-N 3.37Å
318	K	36.4	Very low	56.2	Low	203 Å²	203	89.2 Å²	89.2	88%	0.883	47%	0.471	S	S	*	.			trans	-66.2	82.9	169.8	-75.2	179.1	178.9	174.5	0	108.1	T320	K318-T320 VanDerWaalsContact C-N 3.32Å; K318-T320 PolarHBondContact O-N 2.88Å
319	S	42.6	Very low	56.6	Low	85 Å²	85	88 Å²	88	59%	0.594	47%	0.465	S	S	*	.			trans	-69.9	95.9	163.9	173.7	0	0	0	0	107.2	G317 R321	G317-S319 PolarHBondContact O-N 3.37Å; S319-R321 PolarHBondContact O-N 2.93Å; S319-R321 VanDerWaalsContact O-N 3.11Å
320	T	51.1	Low	57.1	Low	70 Å²	70	83 Å²	83	43%	0.429	44%	0.444	S	S	.	.			trans	-77.5	85.6	172.5	37.4	0	0	0	0	108.8	L308 K318	L308-T320 HydrophobicContact CD1-CG2 4.41Å; L308-T320 HydrophobicContact CD2-CG2 4.07Å; L308-T320 HydrophobicContact CG-CG2 4.45Å; K318-T320 VanDerWaalsContact C-N 3.32Å; K318-T320 PolarHBondContact O-N 2.88Å
321	R	60.5	Low	57.8	Low	141 Å²	141	77.8 Å²	77.8	53%	0.532	42%	0.419	S	S	.	.			trans	-86.1	118	175.9	-160	171.2	-176.3	170.3	2.3	110.3	N267 K309 S319	N267-R321 PolarHBondContact OD1-NH2 3.41Å; K309-R321 WeakPolarHBondContact CB-O 3.49Å; K309-R321 PolarHBondContact N-O 3.19Å; S319-R321 PolarHBondContact O-N 2.93Å; S319-R321 VanDerWaalsContact O-N 3.11Å
322	W	67.1	Low	58.9	Low	48 Å²	48	77.7 Å²	77.7	18%	0.182	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	147.7	168.7	-71.1	97.5	0	0	0	111	A211 T235 W253 L306 L308	A211-W322 HydrophobicContact CB-CH2 4.26Å; A211-W322 HydrophobicContact CB-CZ3 4.42Å; T235-W322 PolarHBondContact OG1-NE1 3.48Å; T235-W322 VanDerWaalsContact OG1-NE1 3.07Å; W253-W322 HydrophobicContact CH2-CB 3.51Å; W253-W322 WeakPolarHBondContact CH2-O 3.45Å; W253-W322 HydrophobicContact CZ2-CB 4.48Å; W253-W322 HydrophobicContact CZ3-CB 3.92Å; L306-W322 HydrophobicContact CB-CD2 4.48Å; L306-W322 HydrophobicContact CB-CE3 3.6Å; L306-W322 HydrophobicContact CB-CZ3 3.85Å; L308-W322 HydrophobicContact CB-CE3 4.32Å; L308-W322 HydrophobicContact CB-CZ3 4.29Å; L308-W322 HydrophobicContact CD1-CD2 3.64Å; L308-W322 VanDerWaalsContact CD1-CE2 3.44Å; L308-W322 HydrophobicContact CD1-CE3 4.02Å; L308-W322 HydrophobicContact CD1-CG 4.16Å; L308-W322 HydrophobicContact CD1-CH2 4.12Å; L308-W322 HydrophobicContact CD1-CZ2 3.7Å; L308-W322 HydrophobicContact CD1-CZ3 4.26Å
323	N	74	Confident	59.9	Low	60 Å²	60	76.8 Å²	76.8	32%	0.321	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.8	172.3	-169.4	27.4	0	0	0	109.4	L306 Q307	L306-N323 WeakPolarHBondContact CA-O 3.35Å; Q307-N323 PolarHBondContact N-O 3.22Å; Q307-N323 PolarHBondContact O-N 3.28Å
324	L	79.2	Confident	60.9	Low	6 Å²	6	76.8 Å²	76.8	3%	0.031	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.3	176.5	-174.3	71	0	0	0	109.5	L239 T269 F304 L306	L239-L324 HydrophobicContact CD1-CD2 3.64Å; L239-L324 HydrophobicContact CD2-CD1 3.83Å; L239-L324 HydrophobicContact CD2-CD2 4.03Å; T269-L324 HydrophobicContact CG2-CB 4.13Å; T269-L324 HydrophobicContact CG2-CD2 4.5Å; F304-L324 HydrophobicContact CB-CD1 4.37Å; F304-L324 HydrophobicContact CD1-CD1 4.15Å; F304-L324 HydrophobicContact CD1-CD2 3.93Å; F304-L324 HydrophobicContact CD1-CG 4.12Å; F304-L324 HydrophobicContact CE1-CD2 4.29Å; L306-L324 HydrophobicContact CD2-CB 4.39Å; L306-L324 HydrophobicContact CD2-CD1 3.83Å; L306-L324 HydrophobicContact CG-CD1 4.45Å
325	L	77.8	Confident	61.8	Low	48 Å²	48	69.1 Å²	69.1	25%	0.251	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.4	171	-68.8	168.7	0	0	0	108.9	F304 S305 Q307	F304-L325 WeakPolarHBondContact CA-O 3.1Å; S305-L325 PolarHBondContact N-O 3.27Å; S305-L325 WeakPolarHBondContact O-CB 3.39Å; S305-L325 PolarHBondContact O-N 2.88Å; Q307-L325 HydrophobicContact CB-CD1 3.69Å; Q307-L325 HydrophobicContact CB-CG 4.16Å; Q307-L325 HydrophobicContact CG-CD1 4.46Å
326	C	79.6	Confident	62.6	Low	17 Å²	17	63.1 Å²	63.1	12%	0.115	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.1	171.4	175.8	0	0	0	0	109.1	F271 V302 F304 Q662	F271-C326 HydrophobicContact CB-CB 3.89Å; F271-C326 HydrophobicContact CD1-CB 4.23Å; F271-C326 HydrophobicContact CD2-CB 4.43Å; F271-C326 WeakPolarHBondContact CD2-SG 3.49Å; F271-C326 HydrophobicContact CG-CB 3.94Å; F271-C326 WeakPolarHBondContact CG-SG 3.46Å; V302-C326 WeakPolarHBondContact CG1-SG 3.18Å; F304-C326 HydrophobicContact CD1-CB 4.13Å; F304-C326 HydrophobicContact CE1-CB 3.77Å; F304-C326 HydrophobicContact CZ-CB 4.37Å; C326-Q662 PolarHBondContact O-NE2 2.9Å
327	Q	77	Confident	63.5	Low	22 Å²	22	57.2 Å²	57.2	10%	0.103	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	114.4	178.2	-164.7	-177.4	-4.3	0	0	111.4	H303 T329 H337	H303-Q327 PolarHBondContact N-O 3.39Å; H303-Q327 PolarHBondContact O-N 2.83Å; Q327-T329 HydrophobicContact CB-CG2 4.29Å; Q327-T329 HydrophobicContact CG-CG2 3.73Å; Q327-T329 PolarHBondContact O-N 3.1Å; Q327-H337 PolarHBondContact OE1-ND1 3.41Å
328	S	79.3	Confident	64.3	Low	7 Å²	7	58.2 Å²	58.2	5%	0.049	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	126.7	168.8	52.6	0	0	0	0	110	P352	S328-P352 VanDerWaalsContact O-CB 3.31Å; S328-P352 WeakPolarHBondContact O-CB 3.32Å; S328-P352 VanDerWaalsContact O-CG 3.31Å; S328-P352 WeakPolarHBondContact O-CG 3.31Å; S328-P352 VanDerWaalsContact OG-CG 3.23Å; S328-P352 WeakPolarHBondContact OG-CG 3.35Å
329	T	73	Confident	65.4	Low	6 Å²	6	51.4 Å²	51.4	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	153.2	-177.2	61.3	0	0	0	0	111	W289 S301 Q327 F331 P335	W289-T329 WeakPolarHBondContact CH2-OG1 3.5Å; W289-T329 WeakPolarHBondContact CZ3-OG1 3.44Å; S301-T329 CarbonylContact C-O 3.47Å; S301-T329 WeakPolarHBondContact CB-O 3.01Å; S301-T329 PolarHBondContact O-N 3.32Å; Q327-T329 HydrophobicContact CB-CG2 4.29Å; Q327-T329 HydrophobicContact CG-CG2 3.73Å; Q327-T329 PolarHBondContact O-N 3.1Å; T329-F331 PolarHBondContact O-N 3.04Å; T329-P335 HydrophobicContact CG2-CB 4.09Å
330	N	69	Low	66.1	Low	12 Å²	12	51.8 Å²	51.8	6%	0.064	27%	0.266	C	S	.	.			trans	-86.2	94.8	179	-65.3	-26.2	0	0	0	110.6	R333 Y351 R353	N330-R333 VanDerWaalsContact O-CB 3.3Å; N330-R333 WeakPolarHBondContact O-CB 3.41Å; N330-R333 PolarHBondContact O-N 2.98Å; N330-R333 VanDerWaalsContact O-N 3.09Å; N330-Y351 PolarHBondContact ND2-O 3.19Å; N330-R353 PolarHBondContact OD1-N 3.11Å; N330-R353 PolarHBondContact OD1-O 3.19Å
331	F	65.2	Low	66.3	Low	27 Å²	27	50.2 Å²	50.2	12%	0.118	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	143.2	172.9	-174.7	-89.6	0	0	0	110.9	W289 H291 T329 V383 L386	W289-F331 AromaticContact CD2-CD2 3.72Å; W289-F331 HydrophobicContact CD2-CD2 3.72Å; W289-F331 HydrophobicContact CD2-CE2 4.33Å; W289-F331 AromaticContact CE2-CD2 3.7Å; W289-F331 HydrophobicContact CE3-CB 4.26Å; W289-F331 AromaticContact CE3-CD2 3.94Å; W289-F331 HydrophobicContact CE3-CD2 3.94Å; W289-F331 HydrophobicContact CG-CD2 4.21Å; W289-F331 HydrophobicContact CG-CE2 4.47Å; W289-F331 HydrophobicContact CH2-CD2 4.12Å; W289-F331 AromaticContact CZ2-CD2 3.94Å; W289-F331 HydrophobicContact CZ2-CD2 3.94Å; W289-F331 HydrophobicContact CZ3-CB 4.04Å; W289-F331 HydrophobicContact CZ3-CD2 4.1Å; H291-F331 AromaticContact CE1-CG 3.91Å; T329-F331 PolarHBondContact O-N 3.04Å; F331-V383 HydrophobicContact CE1-CG2 3.84Å; F331-V383 HydrophobicContact CZ-CG2 4.38Å; F331-L386 HydrophobicContact CB-CD1 4.1Å; F331-L386 HydrophobicContact CD1-CD1 3.61Å; F331-L386 HydrophobicContact CG-CD1 4.33Å
332	P	62	Low	66	Low	73 Å²	73	50.6 Å²	50.6	47%	0.474	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.7	13.2	7.2	35.8	-36.9	0	0	0	115.3
333	R	63	Low	65.4	Low	129 Å²	129	52.2 Å²	52.2	49%	0.487	28%	0.281	S	S	.	.	S	Bend	trans	-65.3	141.7	-178.1	-63.2	-176.1	177.2	172.8	2.1	111	W289 N330 K349	W289-R333 WeakPolarHBondContact CH2-O 3.2Å; N330-R333 VanDerWaalsContact O-CB 3.3Å; N330-R333 WeakPolarHBondContact O-CB 3.41Å; N330-R333 PolarHBondContact O-N 2.98Å; N330-R333 VanDerWaalsContact O-N 3.09Å; R333-K349 PolarHBondContact NH1-O 2.97Å
334	L	61	Low	64.4	Low	119 Å²	119	53.7 Å²	53.7	62%	0.623	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-60.4	138.3	173.3	-79.7	160.9	0	0	0	110.2	L338	L334-L338 HydrophobicContact CD2-CB 4.48Å; L334-L338 HydrophobicContact CD2-CD1 4.39Å
335	P	58.7	Low	63.2	Low	1 Å²	1	59.6 Å²	59.6	1%	0.006	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-54.6	143.8	171.2	-24.1	29.8	0	0	0	112.5	W289 H303 T329 H337 L338 S339	W289-P335 HydrophobicContact CH2-CG 3.91Å; W289-P335 HydrophobicContact CZ2-CG 3.94Å; H303-P335 HydrophobicContact CB-CB 4.41Å; H303-P335 HydrophobicContact CB-CG 3.59Å; H303-P335 VanDerWaalsContact CG-CG 3.4Å; T329-P335 HydrophobicContact CG2-CB 4.09Å; P335-H337 VanDerWaalsContact CB-CE1 3.48Å; P335-H337 WeakPolarHBondContact CB-CE1 3.35Å; P335-H337 WeakPolarHBondContact CB-ND1 3.45Å; P335-H337 PolarHBondContact O-N 3.39Å; P335-H337 VanDerWaalsContact O-N 3.16Å; P335-L338 HydrophobicContact CB-CD1 4.48Å; P335-L338 HydrophobicContact CB-CG 4.46Å; P335-L338 HydrophobicContact CG-CD1 4.09Å; P335-L338 WeakPolarHBondContact O-CA 3.45Å; P335-L338 WeakPolarHBondContact O-CB 3.19Å; P335-L338 PolarHBondContact O-N 2.66Å; P335-S339 PolarHBondContact O-N 3.14Å
336	I	58.8	Low	62.4	Low	13 Å²	13	62.9 Å²	62.9	7%	0.067	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.4	-173.3	-52.9	166.7	0	0	0	111.5	L338 S339 P340 V341 C666	I336-L338 VanDerWaalsContact C-N 3.27Å; I336-L338 PolarHBondContact O-N 2.99Å; I336-S339 CarbonylContact O-C 3.56Å; I336-S339 PolarHBondContact O-N 2.97Å; I336-S339 VanDerWaalsContact O-O 3.12Å; I336-P340 VanDerWaalsContact O-CA 3.31Å; I336-P340 WeakPolarHBondContact O-CA 3.5Å; I336-P340 VanDerWaalsContact O-N 3.07Å; I336-V341 HydrophobicContact CG2-CG2 4.07Å; I336-C666 HydrophobicContact CG2-CB 3.62Å; I336-C666 WeakPolarHBondContact CG2-SG 3.13Å
337	H	59.1	Low	61.2	Low	60 Å²	60	62.7 Å²	62.7	28%	0.278	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.5	174.5	73.1	-86.8	0	0	0	113.5	H303 S305 Q327 P335	H303-H337 AromaticContact ND1-CE1 3.63Å; S305-H337 PolarHBondContact OG-CE1 3.23Å; S305-H337 PolarHBondContact OG-NE2 3.43Å; Q327-H337 PolarHBondContact OE1-ND1 3.41Å; P335-H337 VanDerWaalsContact CB-CE1 3.48Å; P335-H337 WeakPolarHBondContact CB-CE1 3.35Å; P335-H337 WeakPolarHBondContact CB-ND1 3.45Å; P335-H337 PolarHBondContact O-N 3.39Å; P335-H337 VanDerWaalsContact O-N 3.16Å
338	L	56	Low	60.1	Low	75 Å²	75	62.6 Å²	62.6	39%	0.393	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-26.4	174.1	-62.5	179.5	0	0	0	111.9	N212 L334 P335 I336	N212-L338 WeakPolarHBondContact OD1-CD2 3.18Å; L334-L338 HydrophobicContact CD2-CB 4.48Å; L334-L338 HydrophobicContact CD2-CD1 4.39Å; P335-L338 HydrophobicContact CB-CD1 4.48Å; P335-L338 HydrophobicContact CB-CG 4.46Å; P335-L338 HydrophobicContact CG-CD1 4.09Å; P335-L338 WeakPolarHBondContact O-CA 3.45Å; P335-L338 WeakPolarHBondContact O-CB 3.19Å; P335-L338 PolarHBondContact O-N 2.66Å; I336-L338 VanDerWaalsContact C-N 3.27Å; I336-L338 PolarHBondContact O-N 2.99Å
339	S	60.3	Low	59.2	Low	61 Å²	61	69.2 Å²	69.2	43%	0.427	35%	0.354	S	S	.	.	S	Bend	trans	-135.6	84.4	176	-167.5	0	0	0	0	110.5	P335 I336 V341	P335-S339 PolarHBondContact O-N 3.14Å; I336-S339 CarbonylContact O-C 3.56Å; I336-S339 PolarHBondContact O-N 2.97Å; I336-S339 VanDerWaalsContact O-O 3.12Å; S339-V341 PolarHBondContact O-N 2.78Å
340	P	55.9	Low	58.6	Low	92 Å²	92	69.9 Å²	69.9	60%	0.597	36%	0.359	S	S	*	.			trans	-63.1	133.3	-179.6	21.9	-30.4	0	0	0	110.6	I336	I336-P340 VanDerWaalsContact O-CA 3.31Å; I336-P340 WeakPolarHBondContact O-CA 3.5Å; I336-P340 VanDerWaalsContact O-N 3.07Å
341	V	57	Low	58.3	Low	38 Å²	38	73 Å²	73	23%	0.23	37%	0.371	C	S	.	.			trans	-89.1	133.3	-176.2	-171.5	0	0	0	0	110.1	I336 S339 N343 Q346 W347	I336-V341 HydrophobicContact CG2-CG2 4.07Å; S339-V341 PolarHBondContact O-N 2.78Å; V341-N343 WeakPolarHBondContact CG1-O 3.21Å; V341-Q346 HydrophobicContact CG1-CB 3.31Å; V341-Q346 HydrophobicContact CG1-CG 4.49Å; V341-W347 HydrophobicContact CB-CB 4.33Å; V341-W347 HydrophobicContact CG1-CB 4.17Å
342	N	53.8	Low	58.6	Low	149 Å²	149	72.3 Å²	72.3	80%	0.797	37%	0.369	S	S	*	.	S	Bend	trans	-87.8	-14.9	-176.4	-67.1	-21.5	0	0	0	114
343	N	54.9	Low	59.1	Low	81 Å²	81	72.2 Å²	72.2	43%	0.433	36%	0.359	S	S	.	.	S	Bend	trans	-129.4	141.6	-174.9	-172.7	-2.2	0	0	0	111.7	V341 E345 Q346 W347	V341-N343 WeakPolarHBondContact CG1-O 3.21Å; N343-E345 VanDerWaalsContact C-N 3.35Å; N343-E345 PolarHBondContact O-N 3.18Å; N343-E345 PolarHBondContact OD1-N 3.1Å; N343-Q346 HydrophobicContact CB-CB 4.45Å; N343-Q346 HydrophobicContact CB-CG 4.5Å; N343-Q346 PolarHBondContact O-N 3.28Å; N343-W347 WeakPolarHBondContact O-CB 3.45Å; N343-W347 PolarHBondContact O-N 2.89Å
344	I	51.6	Low	59.9	Low	91 Å²	91	67.5 Å²	67.5	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-58.9	-42.6	177.7	-59.6	179.1	0	0	0	111.2	Q346 W347 I348 F667	I344-Q346 PolarHBondContact O-N 3.43Å; I344-W347 CarbonylContact O-C 3.57Å; I344-W347 WeakPolarHBondContact O-CB 3.37Å; I344-W347 PolarHBondContact O-N 3.48Å; I344-W347 VanDerWaalsContact O-N 3.13Å; I344-I348 HydrophobicContact CG2-CD1 3.93Å; I344-I348 HydrophobicContact CG2-CG1 4.25Å; I344-I348 WeakPolarHBondContact O-CG1 3.25Å; I344-I348 PolarHBondContact O-N 3.48Å; I344-F667 HydrophobicContact CD1-CE1 4.17Å; I344-F667 HydrophobicContact CD1-CZ 4.17Å; I344-F667 HydrophobicContact CG1-CE1 3.92Å; I344-F667 HydrophobicContact CG1-CZ 3.84Å
345	E	54.5	Low	61	Low	130 Å²	130	63.9 Å²	63.9	61%	0.607	32%	0.319	S	S	*	.	H	α-helix	trans	-64	-43.7	-179.8	-74.7	-174.8	172.1	0	0	112.7	N343 W347 I348 K349	N343-E345 VanDerWaalsContact C-N 3.35Å; N343-E345 PolarHBondContact O-N 3.18Å; N343-E345 PolarHBondContact OD1-N 3.1Å; E345-W347 PolarHBondContact O-N 3.19Å; E345-I348 PolarHBondContact O-N 3.12Å; E345-K349 WeakPolarHBondContact O-CB 3.08Å; E345-K349 WeakPolarHBondContact O-CG 3.35Å; E345-K349 PolarHBondContact O-N 2.69Å
346	Q	60.3	Low	62.2	Low	117 Å²	117	66.2 Å²	66.2	55%	0.547	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-35.4	175.1	-76.8	-179.3	-17.8	0	0	110.7	V341 N343 I344 K349 S350	V341-Q346 HydrophobicContact CG1-CB 3.31Å; V341-Q346 HydrophobicContact CG1-CG 4.49Å; N343-Q346 HydrophobicContact CB-CB 4.45Å; N343-Q346 HydrophobicContact CB-CG 4.5Å; N343-Q346 PolarHBondContact O-N 3.28Å; I344-Q346 PolarHBondContact O-N 3.43Å; Q346-K349 CarbonylContact O-C 3.51Å; Q346-S350 VanDerWaalsContact O-CB 3.3Å; Q346-S350 WeakPolarHBondContact O-CB 3.47Å; Q346-S350 PolarHBondContact O-N 3.22Å
347	W	54.5	Low	63.3	Low	13 Å²	13	66.3 Å²	66.3	5%	0.049	33%	0.332	C	S	.	.	H	α-helix	trans	-70	-43.1	178.1	178.2	93.3	0	0	0	112.1	V341 N343 I344 E345 K349 S350 Y351 T405 Y663 F667	V341-W347 HydrophobicContact CB-CB 4.33Å; V341-W347 HydrophobicContact CG1-CB 4.17Å; N343-W347 WeakPolarHBondContact O-CB 3.45Å; N343-W347 PolarHBondContact O-N 2.89Å; I344-W347 CarbonylContact O-C 3.57Å; I344-W347 WeakPolarHBondContact O-CB 3.37Å; I344-W347 PolarHBondContact O-N 3.48Å; I344-W347 VanDerWaalsContact O-N 3.13Å; E345-W347 PolarHBondContact O-N 3.19Å; W347-K349 VanDerWaalsContact C-N 3.3Å; W347-K349 PolarHBondContact O-N 3.13Å; W347-S350 VanDerWaalsContact CA-OG 3.25Å; W347-S350 WeakPolarHBondContact CA-OG 3.35Å; W347-S350 CarbonylContact O-C 3.57Å; W347-S350 WeakPolarHBondContact O-CA 3.25Å; W347-S350 WeakPolarHBondContact O-CB 3.19Å; W347-S350 PolarHBondContact O-N 3Å; W347-S350 PolarHBondContact O-OG 3.42Å; W347-Y351 PolarHBondContact O-N 3.44Å; W347-T405 HydrophobicContact CZ3-CG2 4.47Å; W347-Y663 HydrophobicContact CH2-CD1 4.21Å; W347-Y663 AromaticContact CH2-CD2 3.29Å; W347-Y663 HydrophobicContact CH2-CD2 3.29Å; W347-Y663 HydrophobicContact CH2-CE2 4.07Å; W347-Y663 AromaticContact CH2-CG 3.41Å; W347-Y663 HydrophobicContact CH2-CG 3.41Å; W347-Y663 VanDerWaalsContact CH2-CG 3.41Å; W347-Y663 AromaticContact CZ2-CD2 3.36Å; W347-Y663 HydrophobicContact CZ2-CD2 3.36Å; W347-Y663 HydrophobicContact CZ2-CE2 4.48Å; W347-Y663 AromaticContact CZ2-CG 3.44Å; W347-Y663 HydrophobicContact CZ2-CG 3.44Å; W347-Y663 VanDerWaalsContact CZ2-CG 3.44Å; W347-Y663 VanDerWaalsContact CZ2-O 3.31Å; W347-Y663 WeakPolarHBondContact CZ2-O 3.22Å; W347-Y663 PolarHBondContact NE1-O 3.05Å; W347-F667 HydrophobicContact CH2-CE2 4.46Å; W347-F667 HydrophobicContact CZ2-CD2 4.48Å; W347-F667 HydrophobicContact CZ2-CE2 4.16Å
348	I	54.6	Low	64.4	Low	21 Å²	21	66 Å²	66	11%	0.108	33%	0.333	C	S	.	.	H	α-helix	trans	-59.8	-46.3	174.9	-69.7	173.7	0	0	0	108.9	I344 E345 S350 Y351 Y397 L402	I344-I348 HydrophobicContact CG2-CD1 3.93Å; I344-I348 HydrophobicContact CG2-CG1 4.25Å; I344-I348 WeakPolarHBondContact O-CG1 3.25Å; I344-I348 PolarHBondContact O-N 3.48Å; E345-I348 PolarHBondContact O-N 3.12Å; I348-S350 PolarHBondContact O-N 3.39Å; I348-Y351 VanDerWaalsContact O-CB 3.27Å; I348-Y351 WeakPolarHBondContact O-CB 3.45Å; I348-Y351 PolarHBondContact O-N 3.3Å; I348-Y351 VanDerWaalsContact O-N 3.13Å; I348-Y397 HydrophobicContact CG2-CD1 3.93Å; I348-Y397 HydrophobicContact CG2-CE1 3.32Å; I348-Y397 HydrophobicContact CG2-CE2 4.09Å; I348-Y397 HydrophobicContact CG2-CG 4.49Å; I348-Y397 PolarHBondContact O-OH 3.27Å; I348-L402 HydrophobicContact CD1-CD2 3.41Å; I348-L402 VanDerWaalsContact CD1-CD2 3.41Å; I348-L402 HydrophobicContact CD1-CG 4.49Å
349	K	60.4	Low	65.9	Low	145 Å²	145	62.5 Å²	62.5	63%	0.63	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.9	173.7	-72.9	178.7	178.5	174.5	0	113.7	R333 E345 Q346 W347	R333-K349 PolarHBondContact NH1-O 2.97Å; E345-K349 WeakPolarHBondContact O-CB 3.08Å; E345-K349 WeakPolarHBondContact O-CG 3.35Å; E345-K349 PolarHBondContact O-N 2.69Å; Q346-K349 CarbonylContact O-C 3.51Å; W347-K349 VanDerWaalsContact C-N 3.3Å; W347-K349 PolarHBondContact O-N 3.13Å
350	S	60	Low	67	Low	21 Å²	21	62.4 Å²	62.4	15%	0.147	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-7	176.5	78.8	0	0	0	0	113.6	Q346 W347 I348	Q346-S350 VanDerWaalsContact O-CB 3.3Å; Q346-S350 WeakPolarHBondContact O-CB 3.47Å; Q346-S350 PolarHBondContact O-N 3.22Å; W347-S350 VanDerWaalsContact CA-OG 3.25Å; W347-S350 WeakPolarHBondContact CA-OG 3.35Å; W347-S350 CarbonylContact O-C 3.57Å; W347-S350 WeakPolarHBondContact O-CA 3.25Å; W347-S350 WeakPolarHBondContact O-CB 3.19Å; W347-S350 PolarHBondContact O-N 3Å; W347-S350 PolarHBondContact O-OG 3.42Å; I348-S350 PolarHBondContact O-N 3.39Å
351	Y	63.6	Low	68.4	Low	77 Å²	77	60.8 Å²	60.8	30%	0.302	30%	0.3	S	S	.	.	S	Bend	trans	-59.4	131.2	-179.6	-166.3	-95.9	0	0	0	110.3	N330 W347 I348 R353 Y663	N330-Y351 PolarHBondContact ND2-O 3.19Å; W347-Y351 PolarHBondContact O-N 3.44Å; I348-Y351 VanDerWaalsContact O-CB 3.27Å; I348-Y351 WeakPolarHBondContact O-CB 3.45Å; I348-Y351 PolarHBondContact O-N 3.3Å; I348-Y351 VanDerWaalsContact O-N 3.13Å; Y351-R353 HydrophobicContact CD1-CG 4.29Å; Y351-R353 PolarHBondContact O-N 3.05Å; Y351-Y663 AromaticContact CE2-CD1 3.75Å; Y351-Y663 HydrophobicContact CE2-CD1 3.75Å; Y351-Y663 HydrophobicContact CE2-CG 4.27Å
352	P	71.1	Confident	69.8	Low	12 Å²	12	59.9 Å²	59.9	8%	0.078	29%	0.293	C	S	.	.			trans	-62.3	132.3	178	24.9	-32.8	0	0	0	110.1	P274 M300 S328	P274-P352 HydrophobicContact CG-CB 4.48Å; P274-P352 HydrophobicContact CG-CG 4.26Å; M300-P352 HydrophobicContact CE-CB 4.18Å; M300-P352 HydrophobicContact SD-CB 3.87Å; S328-P352 VanDerWaalsContact O-CB 3.31Å; S328-P352 WeakPolarHBondContact O-CB 3.32Å; S328-P352 VanDerWaalsContact O-CG 3.31Å; S328-P352 WeakPolarHBondContact O-CG 3.31Å; S328-P352 VanDerWaalsContact OG-CG 3.23Å; S328-P352 WeakPolarHBondContact OG-CG 3.35Å
353	R	73.1	Confident	71.2	Confident	71 Å²	71	53.7 Å²	53.7	27%	0.268	26%	0.26	S	S	.	.			trans	-138.5	142.4	-180	-73.6	-179.4	162.9	-164.1	-13.8	109.2	N330 Y351 R355 Y397	N330-R353 PolarHBondContact OD1-N 3.11Å; N330-R353 PolarHBondContact OD1-O 3.19Å; Y351-R353 HydrophobicContact CD1-CG 4.29Å; Y351-R353 PolarHBondContact O-N 3.05Å; R353-R355 PolarHBondContact O-N 2.79Å; R353-Y397 VanDerWaalsContact CZ-CE2 3.46Å; R353-Y397 PolarHBondContact NE-OH 3.2Å; R353-Y397 VanDerWaalsContact NE-OH 3.1Å; R353-Y397 VanDerWaalsContact NH1-CZ 3.25Å; R353-Y397 PolarHBondContact NH1-OH 2.89Å; R353-Y397 PolarHBondContact NH2-OH 2.84Å; R353-Y397 VanDerWaalsContact NH2-OH 3.16Å
354	W	79.4	Confident	72.3	Confident	31 Å²	31	55 Å²	55	12%	0.117	26%	0.259	C	S	.	.			trans	-65.2	113	169.7	-72.7	102.7	0	0	0	108.1	L273 P274 Q275 P277 I280 V292 T294 H298 M300	L273-W354 HydrophobicContact CB-CZ2 4.47Å; L273-W354 HydrophobicContact CD1-CH2 4.44Å; L273-W354 HydrophobicContact CD1-CZ2 4.32Å; P274-W354 PolarHBondContact O-NE1 2.82Å; Q275-W354 PolarHBondContact O-NE1 3.07Å; P277-W354 HydrophobicContact CG-CB 4.18Å; P277-W354 HydrophobicContact CG-CG 4.3Å; I280-W354 HydrophobicContact CD1-CH2 4.2Å; I280-W354 HydrophobicContact CD1-CZ2 4.45Å; I280-W354 HydrophobicContact CG1-CH2 4.12Å; V292-W354 HydrophobicContact CB-CH2 4.17Å; V292-W354 HydrophobicContact CB-CZ3 4.41Å; V292-W354 HydrophobicContact CG1-CH2 3.86Å; V292-W354 HydrophobicContact CG1-CZ3 4.33Å; T294-W354 HydrophobicContact CG2-CD2 4.31Å; T294-W354 HydrophobicContact CG2-CE3 3.63Å; T294-W354 HydrophobicContact CG2-CH2 3.95Å; T294-W354 HydrophobicContact CG2-CZ3 3.43Å; T294-W354 VanDerWaalsContact CG2-CZ3 3.43Å; H298-W354 HydrophobicContact CB-CB 4.11Å; H298-W354 HydrophobicContact CB-CE3 4.04Å; M300-W354 HydrophobicContact CB-CD2 3.84Å; M300-W354 HydrophobicContact CB-CE3 3.49Å; M300-W354 VanDerWaalsContact CB-CE3 3.49Å; M300-W354 HydrophobicContact CB-CH2 3.71Å; M300-W354 HydrophobicContact CB-CZ2 4.02Å; M300-W354 HydrophobicContact CB-CZ3 3.42Å; M300-W354 VanDerWaalsContact CB-CZ3 3.42Å; M300-W354 HydrophobicContact CE-CD2 4.07Å; M300-W354 HydrophobicContact CE-CG 3.93Å
355	R	82.9	Confident	73.7	Confident	42 Å²	42	51.9 Å²	51.9	16%	0.158	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.8	-177.6	-60.7	-159.3	173.9	173.2	-6.7	110.2	H298 L299 R353 L357 L386 E390	H298-R355 CarbonylContact C-O 3.45Å; H298-R355 VanDerWaalsContact CA-O 3.29Å; H298-R355 WeakPolarHBondContact CA-O 3.36Å; L299-R355 PolarHBondContact N-O 3.25Å; L299-R355 PolarHBondContact O-N 2.79Å; R353-R355 PolarHBondContact O-N 2.79Å; R355-L357 HydrophobicContact CB-CD1 4.01Å; R355-L357 HydrophobicContact CB-CG 4.02Å; R355-L357 PolarHBondContact O-N 2.84Å; R355-L357 VanDerWaalsContact O-N 3.14Å; R355-L386 PolarHBondContact NH1-O 2.78Å; R355-E390 VanDerWaalsContact CA-OE1 3.23Å; R355-E390 WeakPolarHBondContact CA-OE1 3.23Å; R355-E390 HydrophobicContact CB-CG 4.37Å; R355-E390 WeakPolarHBondContact CB-OE1 3.15Å; R355-E390 WeakPolarHBondContact CG-OE1 3.22Å
356	N	84.1	Confident	74.7	Confident	50 Å²	50	51 Å²	51	27%	0.267	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	101.7	174.6	-169.7	-5.3	0	0	0	110.2	N358	N356-N358 PolarHBondContact OD1-N 2.77Å
357	L	82.1	Confident	75.5	Confident	15 Å²	15	48.3 Å²	48.3	8%	0.079	25%	0.248	C	C	.	.			trans	-123.1	8.9	-178.9	-61.5	171.3	0	0	0	112.2	L299 R355 V359 L385 L386 E390	L299-L357 HydrophobicContact CB-CD1 4.35Å; L299-L357 HydrophobicContact CD2-CD1 4.02Å; R355-L357 HydrophobicContact CB-CD1 4.01Å; R355-L357 HydrophobicContact CB-CG 4.02Å; R355-L357 PolarHBondContact O-N 2.84Å; R355-L357 VanDerWaalsContact O-N 3.14Å; L357-V359 VanDerWaalsContact C-N 3.31Å; L357-V359 HydrophobicContact CB-CG2 3.92Å; L357-V359 PolarHBondContact O-N 2.82Å; L357-L385 HydrophobicContact CB-CD1 4.5Å; L357-L385 HydrophobicContact CB-CD2 4.04Å; L357-L385 HydrophobicContact CB-CG 4.29Å; L357-L385 HydrophobicContact CD1-CD2 4.3Å; L357-L385 HydrophobicContact CD1-CG 4.24Å; L357-L386 HydrophobicContact CD1-CD2 3.78Å; L357-L386 HydrophobicContact CD1-CG 4.48Å; L357-E390 HydrophobicContact CD2-CG 4.38Å
358	N	83.3	Confident	76.3	Confident	54 Å²	54	49.4 Å²	49.4	29%	0.289	26%	0.263	S	S	.	.			trans	49.6	48	-179	-171.2	37.1	0	0	0	113	G297 N356 D374 S375 I391	G297-N358 PolarHBondContact O-N 2.7Å; N356-N358 PolarHBondContact OD1-N 2.77Å; N358-D374 WeakPolarHBondContact O-CA 3.37Å; N358-S375 PolarHBondContact ND2-OG 3.15Å; N358-I391 HydrophobicContact CB-CD1 3.83Å
359	V	85.8	Confident	77.6	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.7	179.5	-171.2	0	0	0	0	109.9	I293 G297 L357 D361 L385	I293-V359 HydrophobicContact CD1-CB 4.19Å; I293-V359 HydrophobicContact CD1-CG1 3.44Å; I293-V359 VanDerWaalsContact CD1-CG1 3.44Å; I293-V359 HydrophobicContact CG1-CB 4.33Å; I293-V359 HydrophobicContact CG1-CG1 4.08Å; I293-V359 WeakPolarHBondContact CG2-O 3.31Å; G297-V359 WeakPolarHBondContact CA-O 3.44Å; G297-V359 PolarHBondContact O-N 3.19Å; G297-V359 VanDerWaalsContact O-N 3.13Å; L357-V359 VanDerWaalsContact C-N 3.31Å; L357-V359 HydrophobicContact CB-CG2 3.92Å; L357-V359 PolarHBondContact O-N 2.82Å; V359-D361 WeakPolarHBondContact CG1-O 3.44Å; V359-L385 HydrophobicContact CG2-CD2 3.42Å; V359-L385 VanDerWaalsContact CG2-CD2 3.42Å
360	C	84.1	Confident	78.6	Confident	59 Å²	59	46.9 Å²	46.9	40%	0.399	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-28.6	178	-62.3	0	0	0	0	112.8	V373 S375	C360-V373 PolarHBondContact N-O 3.18Å; C360-S375 VanDerWaalsContact SG-CA 3.56Å; C360-S375 PolarHBondContact SG-N 2.87Å
361	D	85.1	Confident	79.8	Confident	58 Å²	58	45.9 Å²	45.9	31%	0.31	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	166.7	179.7	-144.6	-12.6	0	0	0	113.6	K282 V359 S372 V373	K282-D361 VanDerWaalsContact CD-OD1 3.23Å; K282-D361 WeakPolarHBondContact CD-OD1 3.32Å; K282-D361 IonicContact NZ-OD1 3.19Å; K282-D361 PolarHBondContact NZ-OD1 2.93Å; K282-D361 IonicContact NZ-OD2 3.34Å; K282-D361 PolarHBondContact NZ-OD2 3.42Å; V359-D361 WeakPolarHBondContact CG1-O 3.44Å; D361-S372 CarbonylContact O-C 3.5Å; D361-S372 WeakPolarHBondContact O-CA 3.4Å; D361-V373 HydrophobicContact CB-CB 4.09Å; D361-V373 HydrophobicContact CB-CG2 4.31Å; D361-V373 PolarHBondContact N-O 2.77Å; D361-V373 PolarHBondContact O-N 3.12Å
362	F	86.7	Confident	80.9	Confident	19 Å²	19	42.3 Å²	42.3	8%	0.083	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	143	166.3	-65.9	-70.4	0	0	0	110.4	R284 H291 I293 L299 L370 G371 L382	R284-F362 HydrophobicContact CB-CB 4.13Å; R284-F362 HydrophobicContact CB-CD1 4.21Å; R284-F362 HydrophobicContact CB-CD2 3.43Å; R284-F362 VanDerWaalsContact CB-CD2 3.43Å; R284-F362 HydrophobicContact CB-CE1 4.5Å; R284-F362 HydrophobicContact CB-CE2 3.74Å; R284-F362 HydrophobicContact CB-CG 3.67Å; R284-F362 HydrophobicContact CB-CZ 4.27Å; R284-F362 HydrophobicContact CG-CB 4.21Å; R284-F362 HydrophobicContact CG-CD2 4.39Å; R284-F362 HydrophobicContact CG-CG 4.24Å; H291-F362 HydrophobicContact CB-CE1 3.78Å; H291-F362 HydrophobicContact CB-CE2 4.45Å; H291-F362 HydrophobicContact CB-CZ 3.49Å; H291-F362 VanDerWaalsContact CB-CZ 3.49Å; I293-F362 HydrophobicContact CB-CE2 4.45Å; I293-F362 HydrophobicContact CD1-CD1 4.15Å; I293-F362 HydrophobicContact CD1-CD2 3.5Å; I293-F362 VanDerWaalsContact CD1-CD2 3.5Å; I293-F362 HydrophobicContact CD1-CE1 3.84Å; I293-F362 HydrophobicContact CD1-CE2 3.16Å; I293-F362 HydrophobicContact CD1-CG 4.01Å; I293-F362 HydrophobicContact CD1-CZ 3.34Å; I293-F362 HydrophobicContact CG1-CD2 4.39Å; I293-F362 HydrophobicContact CG1-CE1 4.28Å; I293-F362 HydrophobicContact CG1-CE2 3.56Å; I293-F362 HydrophobicContact CG1-CZ 3.49Å; I293-F362 VanDerWaalsContact CG1-CZ 3.49Å; L299-F362 HydrophobicContact CD1-CE1 4.06Å; L299-F362 HydrophobicContact CD1-CZ 3.78Å; F362-L370 HydrophobicContact CB-CD1 4.19Å; F362-L370 HydrophobicContact CD1-CD1 4.32Å; F362-L370 HydrophobicContact CD1-CD2 4.29Å; F362-L370 HydrophobicContact CD1-CG 4.39Å; F362-G371 WeakPolarHBondContact CA-O 3.16Å; F362-L382 HydrophobicContact CE1-CD1 4.16Å; F362-L382 HydrophobicContact CE1-CD2 4.23Å
363	T	83.3	Confident	81.6	Confident	18 Å²	18	42.9 Å²	42.9	11%	0.11	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.3	174.5	-176.8	0	0	0	0	108.8	L365 G371 V373 K379	T363-L365 HydrophobicContact CG2-CD2 4.07Å; T363-G371 PolarHBondContact N-O 2.99Å; T363-G371 CarbonylContact O-C 3.45Å; T363-G371 VanDerWaalsContact O-CA 3.31Å; T363-G371 WeakPolarHBondContact O-CA 3.47Å; T363-G371 PolarHBondContact O-N 3.19Å; T363-G371 VanDerWaalsContact O-O 3.09Å; T363-V373 HydrophobicContact CG2-CG2 3.51Å; T363-K379 HydrophobicContact CG2-CB 4.16Å; T363-K379 HydrophobicContact CG2-CD 3.88Å; T363-K379 HydrophobicContact CG2-CG 4.03Å; T363-K379 PolarHBondContact OG1-NZ 3.32Å
364	R	78.9	Confident	82.1	Confident	109 Å²	109	40.7 Å²	40.7	41%	0.411	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	139.9	160.5	-157.7	154.6	-165.4	169.7	-4.3	108.6	G368	R364-G368 PolarHBondContact NE-O 3.13Å; R364-G368 PolarHBondContact NH2-O 3.37Å
365	L	81	Confident	82.2	Confident	25 Å²	25	43.1 Å²	43.1	13%	0.131	25%	0.251	C	S	.	.			trans	-97.4	158.7	176.2	-65.2	173.7	0	0	0	109.4	T363 D367 G368 H369 K379 R381	T363-L365 HydrophobicContact CG2-CD2 4.07Å; L365-D367 WeakPolarHBondContact CB-OD1 3.33Å; L365-D367 PolarHBondContact O-N 2.6Å; L365-G368 WeakPolarHBondContact O-CA 3.38Å; L365-G368 PolarHBondContact O-N 3.4Å; L365-H369 PolarHBondContact N-O 2.84Å; L365-K379 HydrophobicContact CD2-CB 3.75Å; L365-K379 HydrophobicContact CD2-CD 4.37Å; L365-R381 HydrophobicContact CD1-CB 4.01Å; L365-R381 HydrophobicContact CD1-CG 3.33Å
366	A	74.2	Confident	82.1	Confident	111 Å²	111	50.6 Å²	50.6	92%	0.917	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.6	-177.1	0	0	0	0	0	114.1	G368	A366-G368 VanDerWaalsContact C-N 3.26Å
367	D	78	Confident	81.8	Confident	62 Å²	62	50.4 Å²	50.4	33%	0.332	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	3.9	175.3	70.2	-18.6	0	0	0	113.4	L365 H369 R381	L365-D367 WeakPolarHBondContact CB-OD1 3.33Å; L365-D367 PolarHBondContact O-N 2.6Å; D367-H369 VanDerWaalsContact C-N 3.32Å; D367-H369 VanDerWaalsContact CG-ND1 3.29Å; D367-H369 PolarHBondContact O-N 3.12Å; D367-H369 PolarHBondContact OD1-N 3.2Å; D367-H369 IonicContact OD1-ND1 2.88Å; D367-H369 IonicContact OD2-CE1 3.83Å; D367-H369 IonicContact OD2-CG 3.65Å; D367-H369 IonicContact OD2-ND1 2.81Å; D367-H369 PolarHBondContact OD2-ND1 3.48Å; D367-R381 IonicContact OD2-CZ 2.99Å; D367-R381 IonicContact OD2-NE 2.67Å; D367-R381 PolarHBondContact OD2-NE 2.75Å; D367-R381 IonicContact OD2-NH2 2.64Å; D367-R381 PolarHBondContact OD2-NH2 2.73Å
368	G	71.6	Confident	81.9	Confident	36 Å²	36	52.9 Å²	52.9	37%	0.371	31%	0.307	S	S	.	.	S	Bend	trans	85.5	-7.7	178.7	0	0	0	0	0	115.2	R364 L365 A366	R364-G368 PolarHBondContact NE-O 3.13Å; R364-G368 PolarHBondContact NH2-O 3.37Å; L365-G368 WeakPolarHBondContact O-CA 3.38Å; L365-G368 PolarHBondContact O-N 3.4Å; A366-G368 VanDerWaalsContact C-N 3.26Å
369	H	80.5	Confident	82	Confident	93 Å²	93	56.3 Å²	56.3	43%	0.431	32%	0.319	S	S	.	.			trans	-77.4	158.2	179.3	-68.8	94.6	0	0	0	112.1	L365 D367 G371	L365-H369 PolarHBondContact N-O 2.84Å; D367-H369 VanDerWaalsContact C-N 3.32Å; D367-H369 VanDerWaalsContact CG-ND1 3.29Å; D367-H369 PolarHBondContact O-N 3.12Å; D367-H369 PolarHBondContact OD1-N 3.2Å; D367-H369 IonicContact OD1-ND1 2.88Å; D367-H369 IonicContact OD2-CE1 3.83Å; D367-H369 IonicContact OD2-CG 3.65Å; D367-H369 IonicContact OD2-ND1 2.81Å; D367-H369 PolarHBondContact OD2-ND1 3.48Å; H369-G371 PolarHBondContact O-N 3.29Å
370	L	82.3	Confident	81.9	Confident	19 Å²	19	58.2 Å²	58.2	10%	0.099	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.9	169.9	-174.3	60.4	0	0	0	109.8	R284 Q286 F362 L382	R284-L370 HydrophobicContact CB-CD2 4.43Å; R284-L370 HydrophobicContact CG-CD1 3.85Å; R284-L370 HydrophobicContact CG-CD2 4.1Å; Q286-L370 HydrophobicContact CB-CD2 4.06Å; F362-L370 HydrophobicContact CB-CD1 4.19Å; F362-L370 HydrophobicContact CD1-CD1 4.32Å; F362-L370 HydrophobicContact CD1-CD2 4.29Å; F362-L370 HydrophobicContact CD1-CG 4.39Å; L370-L382 HydrophobicContact CD2-CD2 3.7Å; L370-L382 HydrophobicContact CG-CD2 4.16Å; L370-L382 VanDerWaalsContact O-CB 3.32Å; L370-L382 WeakPolarHBondContact O-CB 3.41Å; L370-L382 PolarHBondContact O-N 3.4Å
371	G	85.1	Confident	81.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	162	173.4	0	0	0	0	0	112.6	F362 T363 H369 T380	F362-G371 WeakPolarHBondContact CA-O 3.16Å; T363-G371 PolarHBondContact N-O 2.99Å; T363-G371 CarbonylContact O-C 3.45Å; T363-G371 VanDerWaalsContact O-CA 3.31Å; T363-G371 WeakPolarHBondContact O-CA 3.47Å; T363-G371 PolarHBondContact O-N 3.19Å; T363-G371 VanDerWaalsContact O-O 3.09Å; H369-G371 PolarHBondContact O-N 3.29Å; G371-T380 CarbonylContact C-O 3.52Å; G371-T380 WeakPolarHBondContact CA-O 3.27Å
372	S	86.3	Confident	81.8	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.014	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	150.7	169.5	49.1	0	0	0	0	110	D361 K379 T380 L385	D361-S372 CarbonylContact O-C 3.5Å; D361-S372 WeakPolarHBondContact O-CA 3.4Å; S372-K379 CarbonylContact O-C 3.58Å; S372-K379 WeakPolarHBondContact O-CA 3.25Å; S372-T380 PolarHBondContact N-O 3.1Å; S372-T380 PolarHBondContact O-N 3.41Å; S372-T380 PolarHBondContact OG-O 3.29Å; S372-T380 PolarHBondContact OG-OG1 2.96Å; S372-L385 WeakPolarHBondContact OG-CD2 3.08Å
373	V	85.9	Confident	81.5	Confident	25 Å²	25	59.5 Å²	59.5	15%	0.152	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.4	174.1	-170.8	0	0	0	0	108.1	C360 D361 T363 C378 K379	C360-V373 PolarHBondContact N-O 3.18Å; D361-V373 HydrophobicContact CB-CB 4.09Å; D361-V373 HydrophobicContact CB-CG2 4.31Å; D361-V373 PolarHBondContact N-O 2.77Å; D361-V373 PolarHBondContact O-N 3.12Å; T363-V373 HydrophobicContact CG2-CG2 3.51Å; V373-C378 WeakPolarHBondContact CA-O 3.46Å; V373-K379 HydrophobicContact CG2-CG 4.3Å
374	D	84.2	Confident	81.4	Confident	25 Å²	25	62.1 Å²	62.1	13%	0.134	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	175.9	173.8	79.8	-6.3	0	0	0	112	N358 R376 G377 C378	N358-D374 WeakPolarHBondContact O-CA 3.37Å; D374-R376 PolarHBondContact O-N 2.94Å; D374-R376 VanDerWaalsContact O-N 3.09Å; D374-R376 WeakPolarHBondContact OD1-CA 3.43Å; D374-R376 WeakPolarHBondContact OD1-CB 3.45Å; D374-R376 PolarHBondContact OD1-N 2.78Å; D374-R376 IonicContact OD2-CZ 3.29Å; D374-R376 IonicContact OD2-NE 2.83Å; D374-R376 PolarHBondContact OD2-NE 3.44Å; D374-R376 VanDerWaalsContact OD2-NE 3.12Å; D374-R376 IonicContact OD2-NH2 2.89Å; D374-R376 PolarHBondContact OD2-NH2 3.23Å; D374-G377 PolarHBondContact O-N 3.19Å; D374-G377 PolarHBondContact OD1-N 2.55Å; D374-G377 VanDerWaalsContact OD1-N 3.12Å; D374-C378 PolarHBondContact N-O 2.91Å; D374-C378 VanDerWaalsContact N-O 3.15Å; D374-C378 WeakPolarHBondContact OD1-CB 3.45Å; D374-C378 PolarHBondContact OD1-N 2.76Å
375	S	80.1	Confident	81.4	Confident	81 Å²	81	57.8 Å²	57.8	57%	0.566	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.3	178.6	58	0	0	0	0	114.7	N358 C360	N358-S375 PolarHBondContact ND2-OG 3.15Å; C360-S375 VanDerWaalsContact SG-CA 3.56Å; C360-S375 PolarHBondContact SG-N 2.87Å
376	R	81.2	Confident	81.1	Confident	200 Å²	200	57 Å²	57	76%	0.755	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	0.9	175.7	-61.5	174.4	-67	-169	-3.5	112.4	D374 C378	D374-R376 PolarHBondContact O-N 2.94Å; D374-R376 VanDerWaalsContact O-N 3.09Å; D374-R376 WeakPolarHBondContact OD1-CA 3.43Å; D374-R376 WeakPolarHBondContact OD1-CB 3.45Å; D374-R376 PolarHBondContact OD1-N 2.78Å; D374-R376 IonicContact OD2-CZ 3.29Å; D374-R376 IonicContact OD2-NE 2.83Å; D374-R376 PolarHBondContact OD2-NE 3.44Å; D374-R376 VanDerWaalsContact OD2-NE 3.12Å; D374-R376 IonicContact OD2-NH2 2.89Å; D374-R376 PolarHBondContact OD2-NH2 3.23Å; R376-C378 VanDerWaalsContact C-N 3.3Å
377	G	79.1	Confident	81	Confident	46 Å²	46	56 Å²	56	47%	0.474	31%	0.309	S	S	.	.			trans	78.7	8.9	-176.2	0	0	0	0	0	114.2	D374 K379	D374-G377 PolarHBondContact O-N 3.19Å; D374-G377 PolarHBondContact OD1-N 2.55Å; D374-G377 VanDerWaalsContact OD1-N 3.12Å; G377-K379 PolarHBondContact O-N 3.07Å
378	C	83.3	Confident	80.5	Confident	67 Å²	67	58.8 Å²	58.8	45%	0.453	32%	0.318	S	S	.	.			trans	-72.4	125	176.9	-72.4	0	0	0	0	110.1	V373 D374 R376	V373-C378 WeakPolarHBondContact CA-O 3.46Å; D374-C378 PolarHBondContact N-O 2.91Å; D374-C378 VanDerWaalsContact N-O 3.15Å; D374-C378 WeakPolarHBondContact OD1-CB 3.45Å; D374-C378 PolarHBondContact OD1-N 2.76Å; R376-C378 VanDerWaalsContact C-N 3.3Å
379	K	85.5	Confident	80.1	Confident	126 Å²	126	62.5 Å²	62.5	55%	0.548	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.6	179.2	-55	-171.6	173.8	-163.7	0	110.2	T363 L365 S372 V373 G377	T363-K379 HydrophobicContact CG2-CB 4.16Å; T363-K379 HydrophobicContact CG2-CD 3.88Å; T363-K379 HydrophobicContact CG2-CG 4.03Å; T363-K379 PolarHBondContact OG1-NZ 3.32Å; L365-K379 HydrophobicContact CD2-CB 3.75Å; L365-K379 HydrophobicContact CD2-CD 4.37Å; S372-K379 CarbonylContact O-C 3.58Å; S372-K379 WeakPolarHBondContact O-CA 3.25Å; V373-K379 HydrophobicContact CG2-CG 4.3Å; G377-K379 PolarHBondContact O-N 3.07Å
380	T	84.5	Confident	79.2	Confident	41 Å²	41	61.6 Å²	61.6	25%	0.252	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.7	176.6	49.5	0	0	0	0	111	G371 S372 L382	G371-T380 CarbonylContact C-O 3.52Å; G371-T380 WeakPolarHBondContact CA-O 3.27Å; S372-T380 PolarHBondContact N-O 3.1Å; S372-T380 PolarHBondContact O-N 3.41Å; S372-T380 PolarHBondContact OG-O 3.29Å; S372-T380 PolarHBondContact OG-OG1 2.96Å; T380-L382 PolarHBondContact O-N 2.74Å
381	R	84.1	Confident	78.2	Confident	107 Å²	107	65.2 Å²	65.2	40%	0.404	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	135.7	171.7	-72.1	175.5	176.6	164.8	-0.7	109.3	L365 D367 V383 D384 L385	L365-R381 HydrophobicContact CD1-CB 4.01Å; L365-R381 HydrophobicContact CD1-CG 3.33Å; D367-R381 IonicContact OD2-CZ 2.99Å; D367-R381 IonicContact OD2-NE 2.67Å; D367-R381 PolarHBondContact OD2-NE 2.75Å; D367-R381 IonicContact OD2-NH2 2.64Å; D367-R381 PolarHBondContact OD2-NH2 2.73Å; R381-V383 VanDerWaalsContact C-N 3.27Å; R381-V383 PolarHBondContact O-N 3.33Å; R381-D384 HydrophobicContact CB-CB 4.07Å; R381-D384 WeakPolarHBondContact CB-OD2 3.42Å; R381-D384 WeakPolarHBondContact CD-OD2 3.4Å; R381-D384 PolarHBondContact O-N 2.79Å; R381-D384 VanDerWaalsContact O-N 3.12Å; R381-L385 PolarHBondContact O-N 3.38Å
382	L	83.1	Confident	76.3	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-61.9	-39.1	-177.3	-170.3	66.3	0	0	0	111.5	H291 L299 F362 L370 T380 D384 L385 L386	H291-L382 HydrophobicContact CB-CD2 4.24Å; L299-L382 HydrophobicContact CD2-CD1 3.68Å; F362-L382 HydrophobicContact CE1-CD1 4.16Å; F362-L382 HydrophobicContact CE1-CD2 4.23Å; L370-L382 HydrophobicContact CD2-CD2 3.7Å; L370-L382 HydrophobicContact CG-CD2 4.16Å; L370-L382 VanDerWaalsContact O-CB 3.32Å; L370-L382 WeakPolarHBondContact O-CB 3.41Å; L370-L382 PolarHBondContact O-N 3.4Å; T380-L382 PolarHBondContact O-N 2.74Å; L382-D384 PolarHBondContact O-N 2.81Å; L382-L385 PolarHBondContact O-N 3.38Å; L382-L386 HydrophobicContact CD1-CD1 4.44Å; L382-L386 HydrophobicContact CG-CD1 3.94Å; L382-L386 WeakPolarHBondContact O-CB 3.49Å; L382-L386 WeakPolarHBondContact O-CG 3.5Å; L382-L386 PolarHBondContact O-N 2.82Å
383	V	79.7	Confident	74.2	Confident	56 Å²	56	76.4 Å²	76.4	34%	0.339	42%	0.416	S	S	.	.	H	α-helix	trans	-58.3	-47.4	174.7	179.6	0	0	0	0	110.8	F331 R381 L386 S387	F331-V383 HydrophobicContact CE1-CG2 3.84Å; F331-V383 HydrophobicContact CZ-CG2 4.38Å; R381-V383 VanDerWaalsContact C-N 3.27Å; R381-V383 PolarHBondContact O-N 3.33Å; V383-L386 PolarHBondContact O-N 2.82Å; V383-S387 PolarHBondContact O-N 2.89Å; V383-S387 VanDerWaalsContact O-N 3.12Å
384	D	80.1	Confident	71.9	Confident	73 Å²	73	80.3 Å²	80.3	39%	0.39	44%	0.442	S	S	.	.	H	α-helix	trans	-67.8	-41.5	-178.7	-62.5	-12.2	0	0	0	110.8	R381 L382 L386 S387 K388	R381-D384 HydrophobicContact CB-CB 4.07Å; R381-D384 WeakPolarHBondContact CB-OD2 3.42Å; R381-D384 WeakPolarHBondContact CD-OD2 3.4Å; R381-D384 PolarHBondContact O-N 2.79Å; R381-D384 VanDerWaalsContact O-N 3.12Å; L382-D384 PolarHBondContact O-N 2.81Å; D384-L386 PolarHBondContact O-N 2.79Å; D384-S387 PolarHBondContact O-N 2.81Å; D384-S387 PolarHBondContact O-OG 3.48Å; D384-K388 PolarHBondContact O-N 2.7Å
385	L	79.3	Confident	69.7	Low	19 Å²	19	82.3 Å²	82.3	10%	0.099	46%	0.455	C	S	.	.	H	α-helix	trans	-59.8	-46.4	174.9	-176.7	70.8	0	0	0	111.6	L357 V359 S372 R381 L382 S387 K388	L357-L385 HydrophobicContact CB-CD1 4.5Å; L357-L385 HydrophobicContact CB-CD2 4.04Å; L357-L385 HydrophobicContact CB-CG 4.29Å; L357-L385 HydrophobicContact CD1-CD2 4.3Å; L357-L385 HydrophobicContact CD1-CG 4.24Å; V359-L385 HydrophobicContact CG2-CD2 3.42Å; V359-L385 VanDerWaalsContact CG2-CD2 3.42Å; S372-L385 WeakPolarHBondContact OG-CD2 3.08Å; R381-L385 PolarHBondContact O-N 3.38Å; L382-L385 PolarHBondContact O-N 3.38Å; L385-S387 PolarHBondContact O-N 3.49Å; L385-K388 WeakPolarHBondContact O-CB 3.43Å; L385-K388 PolarHBondContact O-N 3.21Å; L385-K388 VanDerWaalsContact O-N 3.1Å
386	L	75.2	Confident	67.7	Low	8 Å²	8	84.8 Å²	84.8	4%	0.042	46%	0.461	C	S	.	.	H	α-helix	trans	-68.9	-16.5	-179.9	-76.6	167.2	0	0	0	113.8	L299 F331 R355 L357 L382 V383 D384	L299-L386 HydrophobicContact CD2-CD1 4.28Å; L299-L386 HydrophobicContact CD2-CD2 3.71Å; L299-L386 HydrophobicContact CD2-CG 4.07Å; F331-L386 HydrophobicContact CB-CD1 4.1Å; F331-L386 HydrophobicContact CD1-CD1 3.61Å; F331-L386 HydrophobicContact CG-CD1 4.33Å; R355-L386 PolarHBondContact NH1-O 2.78Å; L357-L386 HydrophobicContact CD1-CD2 3.78Å; L357-L386 HydrophobicContact CD1-CG 4.48Å; L382-L386 HydrophobicContact CD1-CD1 4.44Å; L382-L386 HydrophobicContact CG-CD1 3.94Å; L382-L386 WeakPolarHBondContact O-CB 3.49Å; L382-L386 WeakPolarHBondContact O-CG 3.5Å; L382-L386 PolarHBondContact O-N 2.82Å; V383-L386 PolarHBondContact O-N 2.82Å; D384-L386 PolarHBondContact O-N 2.79Å
387	S	71.8	Confident	65.8	Low	91 Å²	91	78.2 Å²	78.2	64%	0.636	44%	0.437	S	S	*	.	H	α-helix	trans	-83.7	-17.3	173.3	78.7	0	0	0	0	113.8	V383 D384 L385	V383-S387 PolarHBondContact O-N 2.89Å; V383-S387 VanDerWaalsContact O-N 3.12Å; D384-S387 PolarHBondContact O-N 2.81Å; D384-S387 PolarHBondContact O-OG 3.48Å; L385-S387 PolarHBondContact O-N 3.49Å
388	K	68.6	Low	64.2	Low	120 Å²	120	79.4 Å²	79.4	52%	0.522	44%	0.435	S	S	.	.	S	Bend	trans	-74.5	156.6	177	-68.3	178.1	-179.9	178	0	111.1	D384 L385	D384-K388 PolarHBondContact O-N 2.7Å; L385-K388 WeakPolarHBondContact O-CB 3.43Å; L385-K388 PolarHBondContact O-N 3.21Å; L385-K388 VanDerWaalsContact O-N 3.1Å
389	S	62.7	Low	62.4	Low	113 Å²	113	83.5 Å²	83.5	79%	0.79	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-63.8	142.1	166.1	52.1	0	0	0	0	110.4
390	E	61.9	Low	60.6	Low	75 Å²	75	84.6 Å²	84.6	35%	0.35	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-58.5	154.3	172.4	-79.1	173.7	167.9	0	0	111.4	R355 L357 D392	R355-E390 VanDerWaalsContact CA-OE1 3.23Å; R355-E390 WeakPolarHBondContact CA-OE1 3.23Å; R355-E390 HydrophobicContact CB-CG 4.37Å; R355-E390 WeakPolarHBondContact CB-OE1 3.15Å; R355-E390 WeakPolarHBondContact CG-OE1 3.22Å; L357-E390 HydrophobicContact CD2-CG 4.38Å; E390-D392 PolarHBondContact O-N 2.84Å
391	I	60.7	Low	58.9	Low	95 Å²	95	85.1 Å²	85.1	49%	0.487	45%	0.454	S	S	.	.	S	Bend	trans	-65.4	125.6	169.2	-57.3	169.3	0	0	0	106.7	N358 T393	N358-I391 HydrophobicContact CB-CD1 3.83Å; I391-T393 PolarHBondContact O-N 2.71Å
392	D	45.9	Very low	57.1	Low	148 Å²	148	83.9 Å²	83.9	79%	0.791	46%	0.455	S	S	*	.	S	Bend	trans	-33.7	93.6	-171.2	-70.7	-49.9	0	0	0	115.5	E390	E390-D392 PolarHBondContact O-N 2.84Å
393	T	42	Very low	55.6	Low	89 Å²	89	88 Å²	88	55%	0.546	48%	0.477	S	S	.	.			trans	-135.3	98.1	130.8	44.8	0	0	0	0	106	I391 V395	I391-T393 PolarHBondContact O-N 2.71Å; T393-V395 PolarHBondContact O-N 2.84Å
394	P	36.8	Very low	54.4	Low	107 Å²	107	91 Å²	91	70%	0.695	49%	0.488	S	S	*	.			trans	-63.2	94.7	166.2	27	-30.7	0	0	0	105.7	N396	P394-N396 PolarHBondContact O-N 2.83Å
395	V	38.8	Very low	53	Low	67 Å²	67	89 Å²	89	41%	0.406	48%	0.478	S	S	.	.			trans	-70.8	72.4	156.3	-171.2	0	0	0	0	104.5	T393 Y397 Q401	T393-V395 PolarHBondContact O-N 2.84Å; V395-Y397 VanDerWaalsContact C-N 3.3Å; V395-Y397 PolarHBondContact O-N 2.8Å; V395-Q401 VanDerWaalsContact CG1-NE2 3.29Å; V395-Q401 VanDerWaalsContact CG1-OE1 3.29Å
396	N	38.2	Very low	51.8	Low	132 Å²	132	93.9 Å²	93.9	71%	0.706	50%	0.499	S	S	*	.			trans	-46.6	113.2	147	-94.3	-18.1	0	0	0	102.9	P394 T398	P394-N396 PolarHBondContact O-N 2.83Å; N396-T398 PolarHBondContact O-N 2.75Å
397	Y	39.8	Very low	51	Low	63 Å²	63	99.2 Å²	99.2	25%	0.247	53%	0.525	C	S	.	.			trans	-55.9	98.2	167.8	-77.5	-103.6	0	0	0	104.4	I348 R353 V395 Q401	I348-Y397 HydrophobicContact CG2-CD1 3.93Å; I348-Y397 HydrophobicContact CG2-CE1 3.32Å; I348-Y397 HydrophobicContact CG2-CE2 4.09Å; I348-Y397 HydrophobicContact CG2-CG 4.49Å; I348-Y397 PolarHBondContact O-OH 3.27Å; R353-Y397 VanDerWaalsContact CZ-CE2 3.46Å; R353-Y397 PolarHBondContact NE-OH 3.2Å; R353-Y397 VanDerWaalsContact NE-OH 3.1Å; R353-Y397 VanDerWaalsContact NH1-CZ 3.25Å; R353-Y397 PolarHBondContact NH1-OH 2.89Å; R353-Y397 PolarHBondContact NH2-OH 2.84Å; R353-Y397 VanDerWaalsContact NH2-OH 3.16Å; V395-Y397 VanDerWaalsContact C-N 3.3Å; V395-Y397 PolarHBondContact O-N 2.8Å; Y397-Q401 HydrophobicContact CD1-CB 3.96Å; Y397-Q401 VanDerWaalsContact CD1-OE1 3.29Å
398	T	46.4	Very low	50.3	Low	70 Å²	70	99 Å²	99	43%	0.429	51%	0.514	S	S	.	.			trans	-58.7	147.4	169.7	41	0	0	0	0	104.9	N396 Q400 Q401 L402	N396-T398 PolarHBondContact O-N 2.75Å; T398-Q400 CarbonylContact O-C 3.56Å; T398-Q400 PolarHBondContact O-N 2.84Å; T398-Q401 PolarHBondContact O-N 2.84Å; T398-L402 PolarHBondContact O-N 3.23Å
399	E	45.4	Very low	49.7	Very low	154 Å²	154	95.3 Å²	95.3	72%	0.72	50%	0.499	S	S	*	.	H	α-helix	trans	-45	-27.4	170.5	-161.1	174.3	-170.4	0	0	111.5	N403	E399-N403 WeakPolarHBondContact O-CB 3.04Å; E399-N403 VanDerWaalsContact O-CG 3.24Å; E399-N403 PolarHBondContact O-N 3.05Å; E399-N403 PolarHBondContact O-ND2 3.3Å
400	Q	47.9	Very low	49.4	Very low	148 Å²	148	92.1 Å²	92.1	69%	0.692	47%	0.473	S	S	*	.	H	α-helix	trans	-58.1	-47.6	167.9	-68.3	178.9	-22.5	0	0	115.5	T398 N403 Q404	T398-Q400 CarbonylContact O-C 3.56Å; T398-Q400 PolarHBondContact O-N 2.84Å; Q400-N403 CarbonylContact O-C 3.51Å; Q400-N403 PolarHBondContact O-N 2.84Å; Q400-Q404 VanDerWaalsContact O-CB 3.28Å; Q400-Q404 WeakPolarHBondContact O-CB 3.4Å; Q400-Q404 PolarHBondContact O-N 2.87Å
401	Q	47.6	Very low	49.4	Very low	53 Å²	53	92 Å²	92	25%	0.248	47%	0.471	C	S	.	.	H	α-helix	trans	-67.9	-40	177.3	-79	-168.8	-8.8	0	0	111.8	V395 Y397 T398 N403 Q404 T405	V395-Q401 VanDerWaalsContact CG1-NE2 3.29Å; V395-Q401 VanDerWaalsContact CG1-OE1 3.29Å; Y397-Q401 HydrophobicContact CD1-CB 3.96Å; Y397-Q401 VanDerWaalsContact CD1-OE1 3.29Å; T398-Q401 PolarHBondContact O-N 2.84Å; Q401-N403 VanDerWaalsContact C-N 3.33Å; Q401-Q404 CarbonylContact O-C 3.51Å; Q401-Q404 WeakPolarHBondContact O-CA 3.28Å; Q401-Q404 WeakPolarHBondContact O-CB 3.46Å; Q401-Q404 PolarHBondContact O-N 3.27Å; Q401-Q404 VanDerWaalsContact O-N 3.1Å; Q401-T405 PolarHBondContact O-N 3.28Å; Q401-T405 PolarHBondContact O-OG1 3.18Å
402	L	47.5	Very low	49.4	Very low	81 Å²	81	87.8 Å²	87.8	42%	0.424	45%	0.45	S	S	.	.	H	α-helix	trans	-59.7	-46.5	172.9	-95.6	156.8	0	0	0	110.8	I348 T398 Q404 T405 F406	I348-L402 HydrophobicContact CD1-CD2 3.41Å; I348-L402 VanDerWaalsContact CD1-CD2 3.41Å; I348-L402 HydrophobicContact CD1-CG 4.49Å; T398-L402 PolarHBondContact O-N 3.23Å; L402-Q404 VanDerWaalsContact C-N 3.28Å; L402-Q404 PolarHBondContact O-N 3.16Å; L402-T405 PolarHBondContact O-N 3.5Å; L402-F406 VanDerWaalsContact O-CB 3.24Å; L402-F406 WeakPolarHBondContact O-CB 3.2Å; L402-F406 PolarHBondContact O-N 3.03Å
403	N	52.2	Low	50	Low	87 Å²	87	87 Å²	87	47%	0.465	44%	0.44	S	S	.	.	H	α-helix	trans	-61.1	-37.7	172.2	-80.3	-25.3	0	0	0	111.3	E399 Q400 Q401 F406 M407	E399-N403 WeakPolarHBondContact O-CB 3.04Å; E399-N403 VanDerWaalsContact O-CG 3.24Å; E399-N403 PolarHBondContact O-N 3.05Å; E399-N403 PolarHBondContact O-ND2 3.3Å; Q400-N403 CarbonylContact O-C 3.51Å; Q400-N403 PolarHBondContact O-N 2.84Å; Q401-N403 VanDerWaalsContact C-N 3.33Å; N403-F406 PolarHBondContact O-N 3.24Å; N403-M407 WeakPolarHBondContact O-CB 3.36Å; N403-M407 WeakPolarHBondContact O-CG 3.45Å; N403-M407 PolarHBondContact O-N 3.17Å
404	Q	53.8	Low	50.8	Low	118 Å²	118	86 Å²	86	55%	0.551	43%	0.426	S	S	*	.	H	α-helix	trans	-67.6	-44.6	178.3	-166.2	171.6	3.2	0	0	111.5	Q400 Q401 L402 M407 E408	Q400-Q404 VanDerWaalsContact O-CB 3.28Å; Q400-Q404 WeakPolarHBondContact O-CB 3.4Å; Q400-Q404 PolarHBondContact O-N 2.87Å; Q401-Q404 CarbonylContact O-C 3.51Å; Q401-Q404 WeakPolarHBondContact O-CA 3.28Å; Q401-Q404 WeakPolarHBondContact O-CB 3.46Å; Q401-Q404 PolarHBondContact O-N 3.27Å; Q401-Q404 VanDerWaalsContact O-N 3.1Å; L402-Q404 VanDerWaalsContact C-N 3.28Å; L402-Q404 PolarHBondContact O-N 3.16Å; Q404-M407 CarbonylContact O-C 3.59Å; Q404-M407 PolarHBondContact O-N 3.49Å; Q404-E408 WeakPolarHBondContact O-CB 3.31Å; Q404-E408 WeakPolarHBondContact O-CG 3.43Å; Q404-E408 PolarHBondContact O-N 3.32Å
405	T	51.5	Low	52	Low	30 Å²	30	81.9 Å²	81.9	18%	0.184	40%	0.398	C	S	.	.	H	α-helix	trans	-65.5	-39.5	174.7	-43	0	0	0	0	111.2	W347 Q401 L402 E408 L409	W347-T405 HydrophobicContact CZ3-CG2 4.47Å; Q401-T405 PolarHBondContact O-N 3.28Å; Q401-T405 PolarHBondContact O-OG1 3.18Å; L402-T405 PolarHBondContact O-N 3.5Å; T405-E408 PolarHBondContact O-N 2.88Å; T405-L409 WeakPolarHBondContact O-CB 3.48Å; T405-L409 PolarHBondContact O-N 3.44Å
406	F	53.6	Low	53.1	Low	123 Å²	123	79.7 Å²	79.7	54%	0.539	38%	0.383	S	S	.	.	H	α-helix	trans	-64	-41.8	174.4	-176.8	-108.3	0	0	0	111.4	L402 N403 L409 I410	L402-F406 VanDerWaalsContact O-CB 3.24Å; L402-F406 WeakPolarHBondContact O-CB 3.2Å; L402-F406 PolarHBondContact O-N 3.03Å; N403-F406 PolarHBondContact O-N 3.24Å; F406-L409 WeakPolarHBondContact O-CB 3.3Å; F406-L409 PolarHBondContact O-N 3.07Å; F406-I410 HydrophobicContact CD1-CD1 3.61Å; F406-I410 HydrophobicContact CD1-CG1 4.45Å; F406-I410 HydrophobicContact CE1-CD1 3.2Å; F406-I410 HydrophobicContact CE1-CG1 4.24Å; F406-I410 HydrophobicContact CE2-CD1 4.33Å; F406-I410 HydrophobicContact CG-CD1 4.35Å; F406-I410 HydrophobicContact CZ-CD1 3.6Å; F406-I410 HydrophobicContact CZ-CG1 4.33Å; F406-I410 WeakPolarHBondContact O-CB 3.34Å; F406-I410 VanDerWaalsContact O-CG1 3.28Å; F406-I410 WeakPolarHBondContact O-CG1 3.47Å; F406-I410 PolarHBondContact O-N 3.05Å
407	M	58	Low	54	Low	120 Å²	120	77.1 Å²	77.1	59%	0.591	37%	0.366	S	S	*	.	H	α-helix	trans	-68	-36	175.3	-71.3	-65.6	-86.3	0	0	111.8	N403 Q404 I410 K411	N403-M407 WeakPolarHBondContact O-CB 3.36Å; N403-M407 WeakPolarHBondContact O-CG 3.45Å; N403-M407 PolarHBondContact O-N 3.17Å; Q404-M407 CarbonylContact O-C 3.59Å; Q404-M407 PolarHBondContact O-N 3.49Å; M407-I410 PolarHBondContact O-N 3.07Å; M407-I410 HydrophobicContact SD-CD1 4.49Å; M407-K411 WeakPolarHBondContact O-CB 3.22Å; M407-K411 PolarHBondContact O-N 3.45Å
408	E	57.6	Low	54.9	Low	87 Å²	87	74.3 Å²	74.3	41%	0.407	36%	0.355	S	S	.	.	H	α-helix	trans	-65.7	-41.5	170.9	-80.3	-179.7	175.4	0	0	112	Q404 T405 K411 T412	Q404-E408 WeakPolarHBondContact O-CB 3.31Å; Q404-E408 WeakPolarHBondContact O-CG 3.43Å; Q404-E408 PolarHBondContact O-N 3.32Å; T405-E408 PolarHBondContact O-N 2.88Å; E408-K411 PolarHBondContact O-N 2.77Å; E408-T412 WeakPolarHBondContact O-CB 3.32Å; E408-T412 PolarHBondContact O-N 3.25Å; E408-T412 PolarHBondContact O-OG1 2.79Å
409	L	54.5	Low	55.7	Low	42 Å²	42	71.2 Å²	71.2	22%	0.22	34%	0.336	C	S	.	.	H	α-helix	trans	-60.5	-46.1	172.9	-95.6	154.5	0	0	0	111.7	T405 F406 T412 K413 Y663 L664	T405-L409 WeakPolarHBondContact O-CB 3.48Å; T405-L409 PolarHBondContact O-N 3.44Å; F406-L409 WeakPolarHBondContact O-CB 3.3Å; F406-L409 PolarHBondContact O-N 3.07Å; L409-T412 PolarHBondContact O-N 2.8Å; L409-K413 WeakPolarHBondContact O-CB 3.1Å; L409-K413 PolarHBondContact O-N 3.11Å; L409-Y663 HydrophobicContact CD1-CE2 4.42Å; L409-Y663 HydrophobicContact CD2-CE2 3.87Å; L409-Y663 HydrophobicContact CG-CE2 3.79Å; L409-L664 HydrophobicContact CD2-CD2 3.47Å; L409-L664 VanDerWaalsContact CD2-CD2 3.47Å; L409-L664 HydrophobicContact CD2-CG 4.43Å
410	I	57.3	Low	56.3	Low	46 Å²	46	67.1 Å²	67.1	24%	0.236	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-48	174.9	-75.6	178.2	0	0	0	110.1	F406 M407 T412 K413 Y414	F406-I410 HydrophobicContact CD1-CD1 3.61Å; F406-I410 HydrophobicContact CD1-CG1 4.45Å; F406-I410 HydrophobicContact CE1-CD1 3.2Å; F406-I410 HydrophobicContact CE1-CG1 4.24Å; F406-I410 HydrophobicContact CE2-CD1 4.33Å; F406-I410 HydrophobicContact CG-CD1 4.35Å; F406-I410 HydrophobicContact CZ-CD1 3.6Å; F406-I410 HydrophobicContact CZ-CG1 4.33Å; F406-I410 WeakPolarHBondContact O-CB 3.34Å; F406-I410 VanDerWaalsContact O-CG1 3.28Å; F406-I410 WeakPolarHBondContact O-CG1 3.47Å; F406-I410 PolarHBondContact O-N 3.05Å; M407-I410 PolarHBondContact O-N 3.07Å; M407-I410 HydrophobicContact SD-CD1 4.49Å; I410-T412 PolarHBondContact O-N 3.46Å; I410-K413 WeakPolarHBondContact O-CB 3.42Å; I410-K413 PolarHBondContact O-N 2.83Å; I410-Y414 HydrophobicContact CG2-CD2 3.46Å; I410-Y414 VanDerWaalsContact CG2-CD2 3.46Å; I410-Y414 HydrophobicContact CG2-CE2 3.19Å; I410-Y414 WeakPolarHBondContact O-CD2 3.43Å; I410-Y414 PolarHBondContact O-N 3.21Å
411	K	61.7	Low	56.7	Low	72 Å²	72	60.3 Å²	60.3	31%	0.313	29%	0.288	S	S	.	.	H	α-helix	trans	-57.7	-49	177.2	-173.5	173.4	-174.2	165.6	0	110.6	M407 E408 K413 Y414 Q415 I524 D527	M407-K411 WeakPolarHBondContact O-CB 3.22Å; M407-K411 PolarHBondContact O-N 3.45Å; E408-K411 PolarHBondContact O-N 2.77Å; K411-K413 PolarHBondContact O-N 3.18Å; K411-Y414 PolarHBondContact O-N 3.1Å; K411-Y414 VanDerWaalsContact O-N 3.15Å; K411-Q415 HydrophobicContact CG-CG 4.39Å; K411-Q415 WeakPolarHBondContact O-CB 3.34Å; K411-Q415 VanDerWaalsContact O-CG 3.22Å; K411-Q415 WeakPolarHBondContact O-CG 3.12Å; K411-Q415 PolarHBondContact O-N 3.48Å; K411-I524 HydrophobicContact CG-CG2 4.09Å; K411-D527 IonicContact NZ-OD2 2.75Å
412	T	61	Low	57.3	Low	6 Å²	6	58 Å²	58	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-42	178.7	-47.8	0	0	0	0	111.4	E408 L409 I410 Y414 Q415 M416 L660 P661 L664	E408-T412 WeakPolarHBondContact O-CB 3.32Å; E408-T412 PolarHBondContact O-N 3.25Å; E408-T412 PolarHBondContact O-OG1 2.79Å; L409-T412 PolarHBondContact O-N 2.8Å; I410-T412 PolarHBondContact O-N 3.46Å; T412-Y414 VanDerWaalsContact C-N 3.31Å; T412-Y414 PolarHBondContact O-N 2.89Å; T412-Q415 PolarHBondContact O-N 3.3Å; T412-M416 VanDerWaalsContact O-CB 3.28Å; T412-M416 WeakPolarHBondContact O-CB 3.36Å; T412-M416 PolarHBondContact O-N 2.84Å; T412-L660 HydrophobicContact CG2-CD2 4.03Å; T412-P661 HydrophobicContact CG2-CG 4.37Å; T412-L664 HydrophobicContact CG2-CD1 3.6Å
413	K	58.8	Low	57.8	Low	133 Å²	133	56.2 Å²	56.2	58%	0.578	27%	0.268	S	S	*	.	H	α-helix	trans	-60.6	-41.2	175.1	-179.4	-177.4	177.7	-177.3	0	111.5	L409 I410 K411 M416 K417	L409-K413 WeakPolarHBondContact O-CB 3.1Å; L409-K413 PolarHBondContact O-N 3.11Å; I410-K413 WeakPolarHBondContact O-CB 3.42Å; I410-K413 PolarHBondContact O-N 2.83Å; K411-K413 PolarHBondContact O-N 3.18Å; K413-M416 WeakPolarHBondContact O-CB 3.34Å; K413-K417 WeakPolarHBondContact O-CG 3.22Å; K413-K417 PolarHBondContact O-N 3.4Å
414	Y	59.2	Low	58.1	Low	67 Å²	67	54.6 Å²	54.6	26%	0.263	26%	0.259	S	S	.	.	H	α-helix	trans	-72.5	-38.6	177.2	-73.4	-53.6	0	0	0	112.8	I410 K411 T412 M416 K417 S418 F493 I524	I410-Y414 HydrophobicContact CG2-CD2 3.46Å; I410-Y414 VanDerWaalsContact CG2-CD2 3.46Å; I410-Y414 HydrophobicContact CG2-CE2 3.19Å; I410-Y414 WeakPolarHBondContact O-CD2 3.43Å; I410-Y414 PolarHBondContact O-N 3.21Å; K411-Y414 PolarHBondContact O-N 3.1Å; K411-Y414 VanDerWaalsContact O-N 3.15Å; T412-Y414 VanDerWaalsContact C-N 3.31Å; T412-Y414 PolarHBondContact O-N 2.89Å; Y414-M416 VanDerWaalsContact C-N 3.34Å; Y414-K417 PolarHBondContact O-N 3.12Å; Y414-S418 WeakPolarHBondContact O-CB 3.45Å; Y414-S418 PolarHBondContact O-N 2.91Å; Y414-S418 PolarHBondContact O-OG 3.24Å; Y414-F493 AromaticContact CD1-CD1 3.45Å; Y414-F493 HydrophobicContact CD1-CD1 3.45Å; Y414-F493 VanDerWaalsContact CD1-CD1 3.45Å; Y414-F493 AromaticContact CD1-CE1 3.17Å; Y414-F493 HydrophobicContact CD1-CE1 3.17Å; Y414-F493 HydrophobicContact CD1-CG 4.46Å; Y414-F493 HydrophobicContact CD1-CZ 4.01Å; Y414-F493 AromaticContact CE1-CD1 3.48Å; Y414-F493 HydrophobicContact CE1-CD1 3.48Å; Y414-F493 VanDerWaalsContact CE1-CD1 3.48Å; Y414-F493 AromaticContact CE1-CE1 3.58Å; Y414-F493 HydrophobicContact CE1-CE1 3.58Å; Y414-F493 HydrophobicContact CE1-CG 4.1Å; Y414-F493 HydrophobicContact CE1-CZ 4.25Å; Y414-F493 HydrophobicContact CG-CE1 4.07Å; Y414-I524 HydrophobicContact CD2-CD1 3.63Å; Y414-I524 HydrophobicContact CE2-CD1 4.18Å; Y414-I524 HydrophobicContact CG-CD1 4.4Å
415	Q	61.9	Low	58.2	Low	21 Å²	21	49.5 Å²	49.5	10%	0.098	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-43.2	171.7	-71.1	176	-27.1	0	0	111.1	K411 T412 S418 Y419 I524 Y528 P658	K411-Q415 HydrophobicContact CG-CG 4.39Å; K411-Q415 WeakPolarHBondContact O-CB 3.34Å; K411-Q415 VanDerWaalsContact O-CG 3.22Å; K411-Q415 WeakPolarHBondContact O-CG 3.12Å; K411-Q415 PolarHBondContact O-N 3.48Å; T412-Q415 PolarHBondContact O-N 3.3Å; Q415-S418 WeakPolarHBondContact O-CB 3.38Å; Q415-S418 PolarHBondContact O-N 3.34Å; Q415-Y419 WeakPolarHBondContact O-CB 3.28Å; Q415-Y419 PolarHBondContact O-N 3.29Å; Q415-I524 HydrophobicContact CG-CG2 4.44Å; Q415-Y528 HydrophobicContact CB-CD2 3.66Å; Q415-Y528 HydrophobicContact CB-CE2 3.95Å; Q415-Y528 HydrophobicContact CB-CG 4.17Å; Q415-Y528 HydrophobicContact CG-CD2 3.4Å; Q415-Y528 HydrophobicContact CG-CE2 4.15Å; Q415-Y528 HydrophobicContact CG-CG 3.89Å; Q415-P658 HydrophobicContact CB-CB 4.17Å
416	M	61.1	Low	58.5	Low	20 Å²	20	48.6 Å²	48.6	10%	0.099	23%	0.229	C	C	.	.	H	α-helix	trans	-58.5	-47.5	172.1	-97.2	-89.2	166.2	0	0	112.6	T412 K413 Y414 S418 Y419 L420 P658 L660 V675 F678	T412-M416 VanDerWaalsContact O-CB 3.28Å; T412-M416 WeakPolarHBondContact O-CB 3.36Å; T412-M416 PolarHBondContact O-N 2.84Å; K413-M416 WeakPolarHBondContact O-CB 3.34Å; Y414-M416 VanDerWaalsContact C-N 3.34Å; M416-S418 VanDerWaalsContact C-N 3.31Å; M416-S418 PolarHBondContact O-N 2.98Å; M416-Y419 PolarHBondContact O-N 2.86Å; M416-L420 WeakPolarHBondContact O-CB 3.42Å; M416-L420 PolarHBondContact O-N 3.18Å; M416-P658 HydrophobicContact CE-CG 4.33Å; M416-P658 HydrophobicContact CG-CG 4.28Å; M416-L660 HydrophobicContact CE-CD1 3.45Å; M416-L660 VanDerWaalsContact CE-CD1 3.45Å; M416-L660 HydrophobicContact CE-CD2 3.38Å; M416-L660 HydrophobicContact CE-CG 3.63Å; M416-L660 HydrophobicContact CG-CD2 4.23Å; M416-V675 HydrophobicContact CE-CB 4.32Å; M416-V675 HydrophobicContact CE-CG1 3.43Å; M416-V675 VanDerWaalsContact CE-CG1 3.43Å; M416-V675 HydrophobicContact CE-CG2 4.21Å; M416-V675 HydrophobicContact SD-CG1 4.26Å; M416-V675 HydrophobicContact SD-CG2 3.92Å; M416-F678 HydrophobicContact CE-CD2 4.38Å; M416-F678 HydrophobicContact SD-CD2 4.45Å; M416-F678 HydrophobicContact SD-CE2 4.47Å
417	K	57.3	Low	58.5	Low	79 Å²	79	47 Å²	47	34%	0.343	23%	0.226	S	C	.	.	H	α-helix	trans	-61.7	-41.2	175.3	-79.6	-172.8	170.6	-167.9	0	111.9	K413 Y414 Y419 L420 A421 F493	K413-K417 WeakPolarHBondContact O-CG 3.22Å; K413-K417 PolarHBondContact O-N 3.4Å; Y414-K417 PolarHBondContact O-N 3.12Å; K417-Y419 VanDerWaalsContact C-N 3.34Å; K417-L420 PolarHBondContact O-N 3.3Å; K417-A421 WeakPolarHBondContact O-CB 3.18Å; K417-A421 PolarHBondContact O-N 3.29Å; K417-F493 HydrophobicContact CD-CD1 4.36Å; K417-F493 PolarHBondContact NZ-O 2.99Å
418	S	59.1	Low	58.3	Low	3 Å²	3	45.3 Å²	45.3	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-43.7	176.5	-53.9	0	0	0	0	110.7	Y414 Q415 M416 L420 A421 C422 I525	Y414-S418 WeakPolarHBondContact O-CB 3.45Å; Y414-S418 PolarHBondContact O-N 2.91Å; Y414-S418 PolarHBondContact O-OG 3.24Å; Q415-S418 WeakPolarHBondContact O-CB 3.38Å; Q415-S418 PolarHBondContact O-N 3.34Å; M416-S418 VanDerWaalsContact C-N 3.31Å; M416-S418 PolarHBondContact O-N 2.98Å; S418-L420 VanDerWaalsContact C-N 3.35Å; S418-L420 PolarHBondContact O-N 2.72Å; S418-A421 PolarHBondContact O-N 2.85Å; S418-C422 WeakPolarHBondContact O-CB 3.46Å; S418-C422 PolarHBondContact O-N 3.48Å; S418-C422 PolarHBondContact O-SG 3.42Å; S418-I525 WeakPolarHBondContact OG-CG1 3.43Å
419	Y	62.3	Low	58	Low	6 Å²	6	42.2 Å²	42.2	2%	0.024	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-42.9	174.4	178.4	-99.8	0	0	0	112.3	Q415 M416 K417 C422 L423 F655 P657 P658 I683	Q415-Y419 WeakPolarHBondContact O-CB 3.28Å; Q415-Y419 PolarHBondContact O-N 3.29Å; M416-Y419 PolarHBondContact O-N 2.86Å; K417-Y419 VanDerWaalsContact C-N 3.34Å; Y419-C422 PolarHBondContact O-N 3.46Å; Y419-L423 HydrophobicContact CD1-CD1 3.67Å; Y419-L423 HydrophobicContact CE1-CD1 3.23Å; Y419-L423 HydrophobicContact CE1-CG 4.18Å; Y419-L423 WeakPolarHBondContact O-CB 3.36Å; Y419-L423 PolarHBondContact O-N 3.02Å; Y419-F655 AromaticContact CD2-CD1 3.43Å; Y419-F655 HydrophobicContact CD2-CD1 3.43Å; Y419-F655 VanDerWaalsContact CD2-CD1 3.43Å; Y419-F655 AromaticContact CD2-CE1 3.46Å; Y419-F655 HydrophobicContact CD2-CE1 3.46Å; Y419-F655 VanDerWaalsContact CD2-CE1 3.46Å; Y419-F655 AromaticContact CE2-CD1 3.76Å; Y419-F655 HydrophobicContact CE2-CD1 3.76Å; Y419-F655 HydrophobicContact CE2-CE1 4.26Å; Y419-F655 HydrophobicContact CG-CD1 4.5Å; Y419-F655 HydrophobicContact CG-CE1 4.24Å; Y419-P657 HydrophobicContact CD2-CB 4.45Å; Y419-P657 HydrophobicContact CE2-CB 3.83Å; Y419-P658 HydrophobicContact CG-CG 4.42Å; Y419-I683 HydrophobicContact CE2-CD1 3.95Å; Y419-I683 WeakPolarHBondContact OH-CD1 3.44Å
420	L	58	Low	57.8	Low	68 Å²	68	42.5 Å²	42.5	36%	0.356	21%	0.205	S	C	.	.	H	α-helix	trans	-67.7	-37	177.5	-146.8	140.5	0	0	0	112.2	M416 K417 S418 L423 L424 F678	M416-L420 WeakPolarHBondContact O-CB 3.42Å; M416-L420 PolarHBondContact O-N 3.18Å; K417-L420 PolarHBondContact O-N 3.3Å; S418-L420 VanDerWaalsContact C-N 3.35Å; S418-L420 PolarHBondContact O-N 2.72Å; L420-L423 WeakPolarHBondContact O-CB 3.46Å; L420-L423 PolarHBondContact O-N 3.42Å; L420-L424 HydrophobicContact CD2-CD1 4.07Å; L420-L424 WeakPolarHBondContact O-CG 3.43Å; L420-L424 PolarHBondContact O-N 2.82Å; L420-F678 HydrophobicContact CD1-CE1 4.26Å; L420-F678 HydrophobicContact CD1-CE2 4.24Å; L420-F678 HydrophobicContact CD1-CZ 3.54Å; L420-F678 HydrophobicContact CG-CZ 4.45Å
421	A	56.5	Low	57.2	Low	5 Å²	5	44.7 Å²	44.7	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-42.9	171.8	0	0	0	0	0	112.2	K417 S418 L424 L425 L497	K417-A421 WeakPolarHBondContact O-CB 3.18Å; K417-A421 PolarHBondContact O-N 3.29Å; S418-A421 PolarHBondContact O-N 2.85Å; A421-L424 PolarHBondContact O-N 2.93Å; A421-L425 PolarHBondContact O-N 3.26Å; A421-L497 HydrophobicContact CB-CD1 3.76Å; A421-L497 HydrophobicContact CB-CD2 3.64Å; A421-L497 HydrophobicContact CB-CG 4.36Å
422	C	60	Low	56.3	Low	4 Å²	4	45.6 Å²	45.6	3%	0.027	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-42.8	175	-65.4	0	0	0	0	111.1	S418 Y419 L424 L425 L426 I509 F655	S418-C422 WeakPolarHBondContact O-CB 3.46Å; S418-C422 PolarHBondContact O-N 3.48Å; S418-C422 PolarHBondContact O-SG 3.42Å; Y419-C422 PolarHBondContact O-N 3.46Å; C422-L424 VanDerWaalsContact C-N 3.32Å; C422-L424 PolarHBondContact O-N 3.28Å; C422-L425 WeakPolarHBondContact O-CB 3.28Å; C422-L425 PolarHBondContact O-N 3.23Å; C422-L426 WeakPolarHBondContact O-CB 3.4Å; C422-L426 WeakPolarHBondContact O-CG 3.38Å; C422-L426 PolarHBondContact O-N 3.43Å; C422-I509 HydrophobicContact CB-CD1 4.48Å; C422-I509 VanDerWaalsContact SG-CD1 3.6Å; C422-F655 HydrophobicContact CB-CD1 3.96Å; C422-F655 HydrophobicContact CB-CE1 3.6Å; C422-F655 HydrophobicContact CB-CE2 4.25Å; C422-F655 HydrophobicContact CB-CG 4.4Å; C422-F655 HydrophobicContact CB-CZ 3.73Å; C422-F655 WeakPolarHBondContact SG-CZ 3.47Å
423	L	59.1	Low	55.2	Low	43 Å²	43	50.4 Å²	50.4	23%	0.225	24%	0.241	C	C	.	.	H	α-helix	trans	-53.5	-48.6	172	-106.1	162.6	0	0	0	111.4	Y419 L420 L426 N427 F678 I683	Y419-L423 HydrophobicContact CD1-CD1 3.67Å; Y419-L423 HydrophobicContact CE1-CD1 3.23Å; Y419-L423 HydrophobicContact CE1-CG 4.18Å; Y419-L423 WeakPolarHBondContact O-CB 3.36Å; Y419-L423 PolarHBondContact O-N 3.02Å; L420-L423 WeakPolarHBondContact O-CB 3.46Å; L420-L423 PolarHBondContact O-N 3.42Å; L423-L426 PolarHBondContact O-N 3.08Å; L423-N427 WeakPolarHBondContact O-CB 3.24Å; L423-N427 PolarHBondContact O-N 3.08Å; L423-F678 HydrophobicContact CD1-CD1 4.29Å; L423-F678 HydrophobicContact CD1-CE1 4.3Å; L423-I683 HydrophobicContact CD1-CD1 4.11Å; L423-I683 HydrophobicContact CD2-CD1 3.3Å; L423-I683 HydrophobicContact CD2-CG1 4.43Å; L423-I683 HydrophobicContact CG-CD1 3.4Å
424	L	56.9	Low	54	Low	54 Å²	54	49.4 Å²	49.4	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-65.5	-40.3	177.9	-77.3	166	0	0	0	112.2	L420 A421 C422 R428 L497	L420-L424 HydrophobicContact CD2-CD1 4.07Å; L420-L424 WeakPolarHBondContact O-CG 3.43Å; L420-L424 PolarHBondContact O-N 2.82Å; A421-L424 PolarHBondContact O-N 2.93Å; C422-L424 VanDerWaalsContact C-N 3.32Å; C422-L424 PolarHBondContact O-N 3.28Å; L424-R428 WeakPolarHBondContact O-CB 3.36Å; L424-R428 VanDerWaalsContact O-CG 3.27Å; L424-R428 WeakPolarHBondContact O-CG 3.32Å; L424-R428 PolarHBondContact O-N 3.47Å; L424-L497 HydrophobicContact CD1-CB 3.82Å; L424-L497 HydrophobicContact CD1-CD1 3.83Å; L424-L497 HydrophobicContact CD1-CG 4.49Å
425	L	55.8	Low	52.5	Low	10 Å²	10	52.6 Å²	52.6	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-54.3	173.2	-171.4	88.6	0	0	0	110.5	A421 C422 N427 R428 L429 L502 L505 A506 I509	A421-L425 PolarHBondContact O-N 3.26Å; C422-L425 WeakPolarHBondContact O-CB 3.28Å; C422-L425 PolarHBondContact O-N 3.23Å; L425-N427 VanDerWaalsContact C-N 3.35Å; L425-N427 PolarHBondContact O-N 2.85Å; L425-R428 CarbonylContact O-C 3.5Å; L425-R428 WeakPolarHBondContact O-CA 3.42Å; L425-R428 WeakPolarHBondContact O-CB 3.5Å; L425-R428 PolarHBondContact O-N 2.86Å; L425-R428 VanDerWaalsContact O-N 3.07Å; L425-L429 HydrophobicContact CD2-CD1 3.66Å; L425-L429 HydrophobicContact CG-CD1 3.88Å; L425-L429 HydrophobicContact CG-CG 4.28Å; L425-L429 WeakPolarHBondContact O-CG 3.19Å; L425-L429 PolarHBondContact O-N 2.79Å; L425-L502 HydrophobicContact CD1-CD1 3.88Å; L425-L502 HydrophobicContact CD1-CG 4.21Å; L425-L505 HydrophobicContact CB-CD2 3.63Å; L425-L505 HydrophobicContact CD1-CB 3.63Å; L425-L505 HydrophobicContact CD1-CD2 3.38Å; L425-L505 HydrophobicContact CD1-CG 4.09Å; L425-L505 HydrophobicContact CG-CD2 4Å; L425-A506 HydrophobicContact CD1-CB 4.47Å; L425-I509 HydrophobicContact CB-CD1 4.28Å; L425-I509 HydrophobicContact CD2-CD1 3.76Å; L425-I509 HydrophobicContact CG-CD1 4.44Å
426	L	57.8	Low	51.1	Low	11 Å²	11	58.6 Å²	58.6	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-41.4	-173.8	-72.3	171.5	0	0	0	111	C422 L423 R428 L429 S430 F655 I683 V685	C422-L426 WeakPolarHBondContact O-CB 3.4Å; C422-L426 WeakPolarHBondContact O-CG 3.38Å; C422-L426 PolarHBondContact O-N 3.43Å; L423-L426 PolarHBondContact O-N 3.08Å; L426-R428 VanDerWaalsContact C-N 3.28Å; L426-R428 PolarHBondContact O-N 3.14Å; L426-L429 HydrophobicContact CD2-CD1 4.28Å; L426-L429 PolarHBondContact O-N 3.25Å; L426-S430 WeakPolarHBondContact O-CB 3.47Å; L426-S430 PolarHBondContact O-N 3.11Å; L426-S430 PolarHBondContact O-OG 2.75Å; L426-F655 HydrophobicContact CD1-CB 3.91Å; L426-F655 HydrophobicContact CD1-CG 4.41Å; L426-I683 HydrophobicContact CD1-CG2 4.16Å; L426-V685 HydrophobicContact CB-CG2 3.63Å; L426-V685 HydrophobicContact CD2-CB 3.78Å; L426-V685 HydrophobicContact CD2-CG1 4.36Å; L426-V685 HydrophobicContact CD2-CG2 3.48Å; L426-V685 VanDerWaalsContact CD2-CG2 3.48Å; L426-V685 HydrophobicContact CG-CG2 4.03Å
427	N	54.9	Low	49.7	Very low	89 Å²	89	64.3 Å²	64.3	48%	0.476	33%	0.33	S	S	.	.	H	α-helix	trans	-68.9	-27.6	175.6	-154.8	10.2	0	0	0	111.9	L423 L425 S430 N431	L423-N427 WeakPolarHBondContact O-CB 3.24Å; L423-N427 PolarHBondContact O-N 3.08Å; L425-N427 VanDerWaalsContact C-N 3.35Å; L425-N427 PolarHBondContact O-N 2.85Å; N427-S430 WeakPolarHBondContact CA-OG 3.22Å; N427-S430 PolarHBondContact O-OG 3.4Å; N427-S430 VanDerWaalsContact O-OG 3.11Å; N427-N431 WeakPolarHBondContact O-CB 3.28Å; N427-N431 VanDerWaalsContact O-CG 3.24Å; N427-N431 PolarHBondContact O-N 3.03Å; N427-N431 PolarHBondContact O-ND2 2.78Å; N427-N431 PolarHBondContact OD1-ND2 2.94Å
428	R	53.5	Low	48.4	Very low	86 Å²	86	69 Å²	69	33%	0.325	35%	0.35	S	S	.	.	H	α-helix	trans	-75.7	-41	169.8	-76.1	179.6	173	-161.3	-3.9	111.7	L424 L425 L426 N431 F432 N498 L502	L424-R428 WeakPolarHBondContact O-CB 3.36Å; L424-R428 VanDerWaalsContact O-CG 3.27Å; L424-R428 WeakPolarHBondContact O-CG 3.32Å; L424-R428 PolarHBondContact O-N 3.47Å; L425-R428 CarbonylContact O-C 3.5Å; L425-R428 WeakPolarHBondContact O-CA 3.42Å; L425-R428 WeakPolarHBondContact O-CB 3.5Å; L425-R428 PolarHBondContact O-N 2.86Å; L425-R428 VanDerWaalsContact O-N 3.07Å; L426-R428 VanDerWaalsContact C-N 3.28Å; L426-R428 PolarHBondContact O-N 3.14Å; R428-N431 PolarHBondContact O-N 2.9Å; R428-F432 WeakPolarHBondContact O-CD2 3.49Å; R428-F432 PolarHBondContact O-N 2.81Å; R428-F432 VanDerWaalsContact O-N 3.16Å; R428-N498 PolarHBondContact NH1-O 2.84Å; R428-N498 VanDerWaalsContact NH2-CA 3.31Å; R428-N498 PolarHBondContact NH2-O 3.32Å; R428-N498 VanDerWaalsContact NH2-O 3.15Å; R428-N498 PolarHBondContact NH2-OD1 2.84Å; R428-L502 HydrophobicContact CB-CD1 3.51Å; R428-L502 HydrophobicContact CG-CD1 4.32Å
429	L	51.5	Low	47.1	Very low	21 Å²	21	76.5 Å²	76.5	11%	0.11	39%	0.391	C	S	.	.	H	α-helix	trans	-61.7	-41.9	175.7	-72.6	170.6	0	0	0	112.2	L425 L426 P445 L446 L502 V685	L425-L429 HydrophobicContact CD2-CD1 3.66Å; L425-L429 HydrophobicContact CG-CD1 3.88Å; L425-L429 HydrophobicContact CG-CG 4.28Å; L425-L429 WeakPolarHBondContact O-CG 3.19Å; L425-L429 PolarHBondContact O-N 2.79Å; L426-L429 HydrophobicContact CD2-CD1 4.28Å; L426-L429 PolarHBondContact O-N 3.25Å; L429-P445 VanDerWaalsContact CD2-CD 3.49Å; L429-P445 HydrophobicContact CD2-CG 3.27Å; L429-L446 HydrophobicContact CD1-CD1 4.49Å; L429-L502 HydrophobicContact CD2-CD2 4Å; L429-V685 HydrophobicContact CB-CG1 4.3Å
430	S	49.4	Very low	45.5	Very low	48 Å²	48	82.4 Å²	82.4	34%	0.336	42%	0.422	S	S	.	.	H	α-helix	trans	-68.2	-45.8	178.2	62.5	0	0	0	0	111.8	L426 N427 F432 K433	L426-S430 WeakPolarHBondContact O-CB 3.47Å; L426-S430 PolarHBondContact O-N 3.11Å; L426-S430 PolarHBondContact O-OG 2.75Å; N427-S430 WeakPolarHBondContact CA-OG 3.22Å; N427-S430 PolarHBondContact O-OG 3.4Å; N427-S430 VanDerWaalsContact O-OG 3.11Å; S430-F432 PolarHBondContact O-N 2.84Å; S430-K433 PolarHBondContact O-N 2.83Å
431	N	46.4	Very low	44.2	Very low	92 Å²	92	90.6 Å²	90.6	49%	0.492	45%	0.449	S	S	.	.	H	α-helix	trans	-65.9	-24.1	-179.4	-77.8	-38.5	0	0	0	113.3	N427 R428 K433 V434	N427-N431 WeakPolarHBondContact O-CB 3.28Å; N427-N431 VanDerWaalsContact O-CG 3.24Å; N427-N431 PolarHBondContact O-N 3.03Å; N427-N431 PolarHBondContact O-ND2 2.78Å; N427-N431 PolarHBondContact OD1-ND2 2.94Å; R428-N431 PolarHBondContact O-N 2.9Å; N431-K433 PolarHBondContact O-N 3.34Å; N431-V434 PolarHBondContact O-N 3.19Å
432	F	42.2	Very low	43.2	Very low	91 Å²	91	93.2 Å²	93.2	40%	0.399	47%	0.467	S	S	.	.	H	α-helix	trans	-60.9	-30.3	174.6	-109.6	-95	0	0	0	113	R428 S430 V434 S442 L502	R428-F432 WeakPolarHBondContact O-CD2 3.49Å; R428-F432 PolarHBondContact O-N 2.81Å; R428-F432 VanDerWaalsContact O-N 3.16Å; S430-F432 PolarHBondContact O-N 2.84Å; F432-V434 VanDerWaalsContact C-N 3.35Å; F432-V434 PolarHBondContact O-N 2.89Å; F432-S442 WeakPolarHBondContact CD1-OG 3.35Å; F432-S442 VanDerWaalsContact CE1-OG 3.3Å; F432-S442 WeakPolarHBondContact CE1-OG 3.32Å; F432-L502 HydrophobicContact CD2-CD2 4.39Å; F432-L502 HydrophobicContact CE2-CD2 4.29Å
433	K	38.5	Very low	42.4	Very low	107 Å²	107	99.6 Å²	99.6	47%	0.465	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.8	177.5	-90.3	-177.8	177.6	169.5	0	114.3	S430 N431 I436 T686	S430-K433 PolarHBondContact O-N 2.83Å; N431-K433 PolarHBondContact O-N 3.34Å; K433-I436 WeakPolarHBondContact O-CG1 3.33Å; K433-T686 PolarHBondContact NZ-O 3.38Å
434	V	32.5	Very low	41.8	Very low	113 Å²	113	100.4 Å²	100.4	69%	0.685	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-23.2	-174.9	-176.8	0	0	0	0	112.1	N431 F432 I436	N431-V434 PolarHBondContact O-N 3.19Å; F432-V434 VanDerWaalsContact C-N 3.35Å; F432-V434 PolarHBondContact O-N 2.89Å; V434-I436 VanDerWaalsContact C-N 3.27Å; V434-I436 PolarHBondContact O-N 2.83Å
435	N	28.6	Very low	41.6	Very low	134 Å²	134	98 Å²	98	72%	0.717	49%	0.493	S	S	*	.			trans	-84.7	67.8	171.2	-85.9	-17.6	0	0	0	110.9
436	I	32.8	Very low	41.7	Very low	146 Å²	146	97.9 Å²	97.9	75%	0.749	49%	0.493	S	S	*	.			trans	-75.2	-15.5	169.3	-56.2	-180	0	0	0	110.5	K433 V434 K438	K433-I436 WeakPolarHBondContact O-CG1 3.33Å; V434-I436 VanDerWaalsContact C-N 3.27Å; V434-I436 PolarHBondContact O-N 2.83Å; I436-K438 PolarHBondContact O-N 3.32Å; I436-K438 VanDerWaalsContact O-N 3.13Å
437	D	30.4	Very low	41.8	Very low	140 Å²	140	99.6 Å²	99.6	75%	0.749	50%	0.502	S	S	*	.	S	Bend	trans	-86.7	79.7	176.5	-70.7	-24.6	0	0	0	111.7
438	K	30.2	Very low	42.2	Very low	177 Å²	177	96.3 Å²	96.3	77%	0.77	49%	0.486	S	S	*	.	S	Bend	trans	160.3	146.1	143.8	-86.7	153.4	-168.1	177.7	0	109.6	I436 D440	I436-K438 PolarHBondContact O-N 3.32Å; I436-K438 VanDerWaalsContact O-N 3.13Å; K438-D440 PolarHBondContact O-N 3Å
439	N	31.6	Very low	42.7	Very low	162 Å²	162	96.5 Å²	96.5	87%	0.866	49%	0.489	S	S	*	.	S	Bend	trans	-53.4	14.2	-176.1	-75.9	-35.4	0	0	0	118	W441	N439-W441 PolarHBondContact O-N 2.92Å
440	D	29.4	Very low	43.1	Very low	129 Å²	129	96.6 Å²	96.6	69%	0.69	49%	0.489	S	S	*	.			trans	-91	99.6	169.5	-64.5	-32.9	0	0	0	106.7	K438 S442	K438-D440 PolarHBondContact O-N 3Å; D440-S442 PolarHBondContact O-N 3.47Å
441	W	30.9	Very low	43.6	Very low	240 Å²	240	98.7 Å²	98.7	91%	0.909	49%	0.49	S	S	*	.			trans	-61.7	71.8	158.6	-71.1	56.7	0	0	0	106.9	N439 Q443	N439-W441 PolarHBondContact O-N 2.92Å; W441-Q443 VanDerWaalsContact C-N 3.26Å; W441-Q443 PolarHBondContact O-N 2.87Å
442	S	35.3	Very low	44	Very low	61 Å²	61	95.2 Å²	95.2	43%	0.427	47%	0.472	S	S	.	.			trans	-78.2	91.7	-177.3	65.2	0	0	0	0	104.9	F432 D440 S444	F432-S442 WeakPolarHBondContact CD1-OG 3.35Å; F432-S442 VanDerWaalsContact CE1-OG 3.3Å; F432-S442 WeakPolarHBondContact CE1-OG 3.32Å; D440-S442 PolarHBondContact O-N 3.47Å; S442-S444 PolarHBondContact O-N 2.96Å
443	Q	41.9	Very low	44.3	Very low	137 Å²	137	93.2 Å²	93.2	64%	0.64	47%	0.467	S	S	*	.			trans	-48.7	121.1	-167.7	-72.3	162.7	-20.2	0	0	110.2	W441	W441-Q443 VanDerWaalsContact C-N 3.26Å; W441-Q443 PolarHBondContact O-N 2.87Å
444	S	47.3	Very low	44.7	Very low	61 Å²	61	90.1 Å²	90.1	43%	0.427	46%	0.459	S	S	.	.			trans	-55.2	134.7	160.9	49.7	0	0	0	0	107.4	S442 L446	S442-S444 PolarHBondContact O-N 2.96Å; S444-L446 WeakPolarHBondContact CB-O 3.46Å; S444-L446 PolarHBondContact O-N 2.98Å; S444-L446 PolarHBondContact OG-O 2.75Å
445	P	52.6	Low	45.1	Very low	3 Å²	3	86.2 Å²	86.2	2%	0.019	44%	0.436	C	S	.	.	S	Bend	trans	-61.6	-21.2	180	25.3	-35	0	0	0	111.9	L429 V475 Q476 L502 N503 A506	L429-P445 VanDerWaalsContact CD2-CD 3.49Å; L429-P445 HydrophobicContact CD2-CG 3.27Å; P445-V475 VanDerWaalsContact O-CA 3.32Å; P445-V475 WeakPolarHBondContact O-CA 3.36Å; P445-Q476 PolarHBondContact O-N 2.78Å; P445-Q476 VanDerWaalsContact O-N 3.16Å; P445-L502 HydrophobicContact CG-CD2 3.92Å; P445-L502 HydrophobicContact CG-CG 4.3Å; P445-N503 WeakPolarHBondContact CB-OD1 3.04Å; P445-A506 HydrophobicContact CB-CB 4.11Å; P445-A506 HydrophobicContact CG-CB 4.28Å
446	L	57.4	Low	45.6	Very low	8 Å²	8	89.1 Å²	89.1	4%	0.042	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	125	174.8	-76.9	164.7	0	0	0	109.6	L429 S444 I473 V475 L510 L653 I687	L429-L446 HydrophobicContact CD1-CD1 4.49Å; S444-L446 WeakPolarHBondContact CB-O 3.46Å; S444-L446 PolarHBondContact O-N 2.98Å; S444-L446 PolarHBondContact OG-O 2.75Å; L446-I473 HydrophobicContact CD2-CG2 3.53Å; L446-V475 HydrophobicContact CD2-CG2 4.04Å; L446-L510 HydrophobicContact CD1-CD1 4.14Å; L446-L510 HydrophobicContact CD2-CD1 3.31Å; L446-L510 HydrophobicContact CD2-CD2 4.29Å; L446-L510 HydrophobicContact CD2-CG 4.44Å; L446-L510 HydrophobicContact CG-CD1 3.89Å; L446-L653 HydrophobicContact CD1-CD1 4.4Å; L446-I687 HydrophobicContact CD1-CG2 3.89Å
447	D	60.2	Low	45.7	Very low	46 Å²	46	86.2 Å²	86.2	25%	0.246	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.9	164.8	-179.8	21.1	0	0	0	108.2	K449 T474 Q476	D447-K449 WeakPolarHBondContact OD2-CE 3.48Å; D447-K449 IonicContact OD2-NZ 2.69Å; D447-T474 WeakPolarHBondContact CB-OG1 3.07Å; D447-T474 PolarHBondContact N-O 2.67Å; D447-T474 PolarHBondContact O-N 2.85Å; D447-T474 PolarHBondContact O-OG1 2.76Å; D447-Q476 HydrophobicContact CB-CG 4.33Å
448	C	62.9	Low	46.1	Very low	21 Å²	21	87.2 Å²	87.2	14%	0.142	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.2	-174.7	-178.9	0	0	0	0	109.4	D472	C448-D472 CarbonylContact C-O 3.57Å; C448-D472 WeakPolarHBondContact CA-O 3.25Å
449	K	63.9	Low	46.4	Very low	90 Å²	90	86.1 Å²	86.1	39%	0.391	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.8	178.6	-65.6	176.7	-174	157.4	0	109.6	D447 Y451 V471 D472	D447-K449 WeakPolarHBondContact OD2-CE 3.48Å; D447-K449 IonicContact OD2-NZ 2.69Å; K449-Y451 HydrophobicContact CB-CE2 3.7Å; K449-Y451 WeakPolarHBondContact CB-OH 3.17Å; K449-Y451 VanDerWaalsContact CD-OH 3.3Å; K449-Y451 WeakPolarHBondContact CD-OH 3.21Å; K449-V471 CarbonylContact O-C 3.53Å; K449-V471 WeakPolarHBondContact O-CA 3.45Å; K449-D472 HydrophobicContact CB-CB 4.39Å; K449-D472 PolarHBondContact N-O 3.32Å; K449-D472 PolarHBondContact O-N 2.76Å
450	I	61.8	Low	46.4	Very low	23 Å²	23	87.8 Å²	87.8	12%	0.118	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.3	-178	-56.7	166.8	0	0	0	107.4	L469 I470 V471 V651 C690	I450-L469 HydrophobicContact CG2-CD1 3.65Å; I450-L469 HydrophobicContact CG2-CG 4.14Å; I450-I470 CarbonylContact C-O 3.53Å; I450-V471 HydrophobicContact CG1-CG1 4.48Å; I450-V651 HydrophobicContact CD1-CG2 3.55Å; I450-V651 HydrophobicContact CG1-CG2 3.98Å; I450-C690 HydrophobicContact CB-CB 3.93Å; I450-C690 HydrophobicContact CD1-CB 3.78Å; I450-C690 HydrophobicContact CG1-CB 4.4Å; I450-C690 HydrophobicContact CG2-CB 4.29Å
451	Y	58.6	Low	46.6	Very low	91 Å²	91	85.9 Å²	85.9	36%	0.357	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.3	177.8	-49.3	-85.4	0	0	0	109	K449 L469 I470 D472	K449-Y451 HydrophobicContact CB-CE2 3.7Å; K449-Y451 WeakPolarHBondContact CB-OH 3.17Å; K449-Y451 VanDerWaalsContact CD-OH 3.3Å; K449-Y451 WeakPolarHBondContact CD-OH 3.21Å; Y451-L469 CarbonylContact O-C 3.54Å; Y451-L469 WeakPolarHBondContact O-CA 3.36Å; Y451-I470 HydrophobicContact CD2-CB 4.43Å; Y451-I470 HydrophobicContact CD2-CG2 4.43Å; Y451-I470 PolarHBondContact N-O 3.33Å; Y451-I470 PolarHBondContact O-N 2.82Å; Y451-D472 HydrophobicContact CE2-CB 3.92Å
452	L	54.4	Low	46.7	Very low	20 Å²	20	78.3 Å²	78.3	11%	0.105	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.2	171.7	-156	90.4	0	0	0	108.6	L467 L469 L692 H696	L452-L467 HydrophobicContact CD2-CD2 3.95Å; L452-L467 HydrophobicContact CG-CD2 4.32Å; L452-L469 HydrophobicContact CD1-CB 4.33Å; L452-L469 HydrophobicContact CD1-CD1 3.59Å; L452-L692 HydrophobicContact CB-CD2 4.01Å; L452-L692 HydrophobicContact CD1-CD1 3.98Å; L452-L692 HydrophobicContact CD1-CD2 4.47Å; L452-L692 HydrophobicContact CD2-CD1 4.24Å; L452-L692 HydrophobicContact CD2-CD2 4.43Å; L452-H696 HydrophobicContact CD2-CB 4.13Å; L452-H696 PolarHBondContact O-CE1 2.83Å
453	T	48.5	Very low	46.8	Very low	49 Å²	49	80.5 Å²	80.5	30%	0.301	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	156.4	178.7	66.6	0	0	0	0	109.7	E468 I470	T453-E468 PolarHBondContact N-O 2.99Å; T453-E468 PolarHBondContact O-N 3.02Å; T453-E468 PolarHBondContact OG1-O 2.87Å; T453-I470 HydrophobicContact CG2-CD1 4.13Å
454	S	47.6	Very low	46.8	Very low	42 Å²	42	78.7 Å²	78.7	29%	0.294	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	139.3	166.1	54	0	0	0	0	108.8	R456	S454-R456 PolarHBondContact O-N 2.78Å; S454-R456 VanDerWaalsContact O-N 3.09Å
455	C	40	Very low	46.5	Very low	30 Å²	30	79.1 Å²	79.1	20%	0.203	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-57.6	118.8	174.5	-96.9	0	0	0	0	109.7	A457 P466	C455-A457 PolarHBondContact O-N 3.5Å; C455-P466 HydrophobicContact CB-CG 4.12Å; C455-P466 PolarHBondContact N-O 3.44Å; C455-P466 VanDerWaalsContact N-O 3.11Å
456	R	39.2	Very low	46.3	Very low	195 Å²	195	80.1 Å²	80.1	74%	0.736	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-77.1	117.1	168.5	-98.6	-176.2	175.4	-164.6	-1.8	108.5	S454	S454-R456 PolarHBondContact O-N 2.78Å; S454-R456 VanDerWaalsContact O-N 3.09Å
457	A	36.3	Very low	46.1	Very low	85 Å²	85	81.7 Å²	81.7	70%	0.702	46%	0.458	S	S	*	.	S	Bend	trans	47.8	105.3	148.4	0	0	0	0	0	117	C455	C455-A457 PolarHBondContact O-N 3.5Å
458	D	38.4	Very low	46	Very low	161 Å²	161	80.8 Å²	80.8	86%	0.861	45%	0.452	S	S	*	.			trans	-176.6	-14.5	143.2	-88.4	-14.8	0	0	0	110.5	E460	D458-E460 PolarHBondContact O-N 2.8Å
459	H	35.6	Very low	46	Very low	154 Å²	154	79.9 Å²	79.9	71%	0.713	45%	0.446	S	S	*	.			trans	-84	90	165	-64.5	-59.7	0	0	0	109.9	S461	H459-S461 PolarHBondContact O-N 3.35Å
460	E	31.6	Very low	45.9	Very low	197 Å²	197	76.9 Å²	76.9	92%	0.921	43%	0.434	S	S	*	.			trans	-63.1	4.6	169.7	-71.2	-171.5	149.2	0	0	113.6	D458 G462	D458-E460 PolarHBondContact O-N 2.8Å; E460-G462 VanDerWaalsContact C-N 3.31Å; E460-G462 PolarHBondContact O-N 3.3Å
461	S	35.1	Very low	46	Very low	90 Å²	90	75.8 Å²	75.8	63%	0.629	43%	0.428	S	S	*	.			trans	-81.3	73.1	176.4	61.1	0	0	0	0	112.3	H459 S463	H459-S461 PolarHBondContact O-N 3.35Å; S461-S463 PolarHBondContact O-N 2.78Å
462	G	33	Very low	46.2	Very low	80 Å²	80	72.8 Å²	72.8	83%	0.825	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn		57.4	-15.3	127.4	0	0	0	0	0	124.4	E460	E460-G462 VanDerWaalsContact C-N 3.31Å; E460-G462 PolarHBondContact O-N 3.3Å
463	S	37.4	Very low	46.7	Very low	108 Å²	108	72 Å²	72	76%	0.755	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-154.6	-24.3	179.1	60.9	0	0	0	0	119.9	S461	S461-S463 PolarHBondContact O-N 2.78Å
464	Q	41.1	Very low	47.4	Very low	98 Å²	98	71.1 Å²	71.1	46%	0.458	41%	0.409	S	S	.	.			trans	-151.1	101.6	-172.1	-63.6	179.1	-6.7	0	0	111.7
465	S	40.2	Very low	47.8	Very low	70 Å²	70	69.4 Å²	69.4	49%	0.49	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-75.3	127.6	175.2	57.9	0	0	0	0	110.4
466	P	49.6	Very low	48.5	Very low	24 Å²	24	70.9 Å²	70.9	16%	0.156	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-63.4	152.4	174.2	27.4	-33.5	0	0	0	111.2	C455 I606 I607	C455-P466 HydrophobicContact CB-CG 4.12Å; C455-P466 PolarHBondContact N-O 3.44Å; C455-P466 VanDerWaalsContact N-O 3.11Å; P466-I606 HydrophobicContact CB-CG2 3.6Å; P466-I606 HydrophobicContact CG-CG2 3.94Å; P466-I607 WeakPolarHBondContact CB-O 3.25Å
467	L	52.3	Low	48.8	Very low	41 Å²	41	67.7 Å²	67.7	22%	0.215	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	137	172.8	-78.8	163	0	0	0	109.2	L452 I607	L452-L467 HydrophobicContact CD2-CD2 3.95Å; L452-L467 HydrophobicContact CG-CD2 4.32Å; L467-I607 HydrophobicContact CB-CB 4.44Å; L467-I607 PolarHBondContact O-N 2.78Å
468	E	58.1	Low	49.1	Very low	28 Å²	28	66.7 Å²	66.7	13%	0.131	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	111.1	175.2	-175	-179.3	-177.1	0	0	109.1	T453 I470 R604 F605	T453-E468 PolarHBondContact N-O 2.99Å; T453-E468 PolarHBondContact O-N 3.02Å; T453-E468 PolarHBondContact OG1-O 2.87Å; E468-I470 HydrophobicContact CG-CG1 4.07Å; E468-R604 WeakPolarHBondContact OE1-CB 3.48Å; E468-R604 WeakPolarHBondContact OE1-CD 3.45Å; E468-R604 WeakPolarHBondContact OE1-CG 3.43Å; E468-R604 IonicContact OE1-NE 2.64Å; E468-R604 IonicContact OE1-NH1 3.58Å; E468-F605 CarbonylContact C-O 3.58Å; E468-F605 WeakPolarHBondContact CA-O 3.43Å
469	L	63	Low	49.1	Very low	2 Å²	2	64.6 Å²	64.6	1%	0.01	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119	170	-174.3	99.8	0	0	0	108.6	I450 Y451 L452 V471 I537 F605 I607 V649	I450-L469 HydrophobicContact CG2-CD1 3.65Å; I450-L469 HydrophobicContact CG2-CG 4.14Å; Y451-L469 CarbonylContact O-C 3.54Å; Y451-L469 WeakPolarHBondContact O-CA 3.36Å; L452-L469 HydrophobicContact CD1-CB 4.33Å; L452-L469 HydrophobicContact CD1-CD1 3.59Å; L469-V471 HydrophobicContact CD2-CG2 3.75Å; L469-V471 HydrophobicContact CG-CG2 4.33Å; L469-I537 HydrophobicContact CD2-CD1 3.9Å; L469-I537 HydrophobicContact CD2-CG2 3.87Å; L469-F605 HydrophobicContact CB-CB 4.38Å; L469-F605 HydrophobicContact CD2-CD2 4.24Å; L469-F605 PolarHBondContact N-O 2.89Å; L469-F605 PolarHBondContact O-N 2.92Å; L469-I607 HydrophobicContact CB-CD1 4.47Å; L469-V649 HydrophobicContact CD1-CG1 4.15Å; L469-V649 HydrophobicContact CD1-CG2 4.37Å; L469-V649 HydrophobicContact CD2-CG1 4.28Å
470	I	61.5	Low	49.3	Very low	26 Å²	26	62 Å²	62	13%	0.133	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.4	177.6	-51.2	178.1	0	0	0	107.9	I450 Y451 T453 E468 L602 R603 R604	I450-I470 CarbonylContact C-O 3.53Å; Y451-I470 HydrophobicContact CD2-CB 4.43Å; Y451-I470 HydrophobicContact CD2-CG2 4.43Å; Y451-I470 PolarHBondContact N-O 3.33Å; Y451-I470 PolarHBondContact O-N 2.82Å; T453-I470 HydrophobicContact CG2-CD1 4.13Å; E468-I470 HydrophobicContact CG-CG1 4.07Å; I470-L602 HydrophobicContact CG2-CD1 3.94Å; I470-L602 HydrophobicContact CG2-CD2 4.05Å; I470-L602 HydrophobicContact CG2-CG 3.92Å; I470-R603 CarbonylContact C-O 3.46Å; I470-R603 WeakPolarHBondContact CA-O 3.37Å; I470-R604 HydrophobicContact CG1-CG 4.3Å; I470-R604 HydrophobicContact CG2-CG 4.39Å
471	V	64.1	Low	49.5	Very low	0 Å²	0	57.8 Å²	57.8	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115	176.3	-174.9	0	0	0	0	108.1	K449 I450 L469 I473 I537 R603 F605 V651	K449-V471 CarbonylContact O-C 3.53Å; K449-V471 WeakPolarHBondContact O-CA 3.45Å; I450-V471 HydrophobicContact CG1-CG1 4.48Å; L469-V471 HydrophobicContact CD2-CG2 3.75Å; L469-V471 HydrophobicContact CG-CG2 4.33Å; V471-I473 HydrophobicContact CG1-CD1 4.17Å; V471-I473 HydrophobicContact CG1-CG1 3.92Å; V471-I537 HydrophobicContact CG2-CD1 4Å; V471-R603 PolarHBondContact N-O 3.49Å; V471-R603 PolarHBondContact O-N 2.76Å; V471-F605 HydrophobicContact CB-CE2 4.01Å; V471-F605 HydrophobicContact CG2-CD2 3.98Å; V471-F605 HydrophobicContact CG2-CE2 3.75Å; V471-V651 HydrophobicContact CG1-CG1 4.16Å; V471-V651 HydrophobicContact CG1-CG2 4.07Å; V471-V651 HydrophobicContact CG2-CG2 4.08Å
472	D	64.1	Low	49.5	Very low	29 Å²	29	59.8 Å²	59.8	16%	0.155	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.8	176.1	-174.3	18.1	0	0	0	109.9	C448 K449 Y451 L602	C448-D472 CarbonylContact C-O 3.57Å; C448-D472 WeakPolarHBondContact CA-O 3.25Å; K449-D472 HydrophobicContact CB-CB 4.39Å; K449-D472 PolarHBondContact N-O 3.32Å; K449-D472 PolarHBondContact O-N 2.76Å; Y451-D472 HydrophobicContact CE2-CB 3.92Å; D472-L602 HydrophobicContact CB-CD1 4.17Å
473	I	65.2	Low	49.8	Very low	4 Å²	4	63.1 Å²	63.1	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	114.6	-177.5	-56.2	169.6	0	0	0	107.9	L446 V471 I535 W588 S600 K601 I687	L446-I473 HydrophobicContact CD2-CG2 3.53Å; V471-I473 HydrophobicContact CG1-CD1 4.17Å; V471-I473 HydrophobicContact CG1-CG1 3.92Å; I473-I535 HydrophobicContact CD1-CD1 3.97Å; I473-W588 HydrophobicContact CB-CH2 4.48Å; I473-W588 HydrophobicContact CD1-CH2 3.59Å; I473-W588 HydrophobicContact CD1-CZ3 3.53Å; I473-W588 HydrophobicContact CG2-CH2 4.26Å; I473-S600 CarbonylContact O-C 3.53Å; I473-S600 WeakPolarHBondContact O-CA 3.21Å; I473-K601 PolarHBondContact N-O 3.31Å; I473-K601 PolarHBondContact O-N 2.8Å; I473-I687 HydrophobicContact CD1-CD1 3.58Å; I473-I687 HydrophobicContact CG1-CD1 4.18Å
474	T	61.3	Low	49.9	Very low	30 Å²	30	60.5 Å²	60.5	18%	0.184	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	141.6	179.7	58.1	0	0	0	0	110.6	D447 N599	D447-T474 WeakPolarHBondContact CB-OG1 3.07Å; D447-T474 PolarHBondContact N-O 2.67Å; D447-T474 PolarHBondContact O-N 2.85Å; D447-T474 PolarHBondContact O-OG1 2.76Å; T474-N599 WeakPolarHBondContact CA-O 3.36Å
475	V	57.2	Low	49.8	Very low	5 Å²	5	64.6 Å²	64.6	3%	0.03	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.8	169.8	175.1	0	0	0	0	107.8	P445 L446 N477 Q507 L510 F511 N599	P445-V475 VanDerWaalsContact O-CA 3.32Å; P445-V475 WeakPolarHBondContact O-CA 3.36Å; L446-V475 HydrophobicContact CD2-CG2 4.04Å; V475-N477 PolarHBondContact O-N 3.37Å; V475-Q507 HydrophobicContact CG1-CG 4.07Å; V475-L510 HydrophobicContact CG2-CD1 3.69Å; V475-F511 HydrophobicContact CB-CE2 3.86Å; V475-F511 HydrophobicContact CB-CZ 4.11Å; V475-F511 HydrophobicContact CG1-CE2 4.48Å; V475-F511 HydrophobicContact CG2-CE2 3.45Å; V475-F511 VanDerWaalsContact CG2-CE2 3.45Å; V475-F511 HydrophobicContact CG2-CZ 3.66Å; V475-N599 PolarHBondContact N-O 3Å
476	Q	53.6	Low	49.7	Very low	62 Å²	62	69.3 Å²	69.3	29%	0.29	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-67.4	127.8	-178.6	-72.5	-168.1	-4.7	0	0	110.4	P445 D447 T478	P445-Q476 PolarHBondContact O-N 2.78Å; P445-Q476 VanDerWaalsContact O-N 3.16Å; D447-Q476 HydrophobicContact CB-CG 4.33Å; Q476-T478 PolarHBondContact O-N 3.44Å
477	N	45.5	Very low	49.4	Very low	128 Å²	128	71.9 Å²	71.9	68%	0.684	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-47.2	122.4	-178.7	-73.2	-18.3	0	0	0	112.2	V475 N599	V475-N477 PolarHBondContact O-N 3.37Å; N477-N599 PolarHBondContact OD1-ND2 3.41Å
478	T	43.3	Very low	49	Very low	63 Å²	63	71.6 Å²	71.6	39%	0.387	38%	0.38	S	S	.	.			trans	-115.4	131.1	144.6	41.9	0	0	0	0	107.4	Q476 T480 N503	Q476-T478 PolarHBondContact O-N 3.44Å; T478-T480 PolarHBondContact O-N 3.15Å; T478-N503 WeakPolarHBondContact CG2-ND2 3.49Å; T478-N503 PolarHBondContact OG1-ND2 3.42Å
479	T	38.9	Very low	48.1	Very low	117 Å²	117	71.5 Å²	71.5	72%	0.718	38%	0.38	S	S	*	.			trans	-30.3	129.9	170.1	41.3	0	0	0	0	110.3	D481	T479-D481 PolarHBondContact O-N 3.43Å
480	T	38.7	Very low	47.2	Very low	99 Å²	99	76.1 Å²	76.1	61%	0.607	40%	0.401	S	S	*	.			trans	-52.1	99.1	163.3	47.6	0	0	0	0	106.1	T478 D482	T478-T480 PolarHBondContact O-N 3.15Å; T480-D482 WeakPolarHBondContact CB-OD1 3.3Å; T480-D482 PolarHBondContact O-N 2.76Å; T480-D482 PolarHBondContact OG1-OD1 3.44Å
481	D	36.2	Very low	46.3	Very low	110 Å²	110	78.6 Å²	78.6	59%	0.588	42%	0.415	S	S	*	.			trans	-66.4	95.7	161.6	-93.5	-20.3	0	0	0	102.9	T479 N483 L484	T479-D481 PolarHBondContact O-N 3.43Å; D481-N483 PolarHBondContact O-N 2.89Å; D481-L484 HydrophobicContact CB-CD1 4.04Å; D481-L484 PolarHBondContact O-N 3.46Å
482	D	36.2	Very low	45.4	Very low	131 Å²	131	79.8 Å²	79.8	70%	0.701	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-55.6	-9.1	-177.7	-66.2	-25.3	0	0	0	112.2	T480 L484	T480-D482 WeakPolarHBondContact CB-OD1 3.3Å; T480-D482 PolarHBondContact O-N 2.76Å; T480-D482 PolarHBondContact OG1-OD1 3.44Å; D482-L484 VanDerWaalsContact C-N 3.32Å; D482-L484 PolarHBondContact O-N 3.39Å
483	N	38.5	Very low	44.5	Very low	150 Å²	150	79 Å²	79	80%	0.802	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-80.9	0.5	174.1	-67.2	-20.2	0	0	0	114.7	D481	D481-N483 PolarHBondContact O-N 2.89Å
484	L	38.8	Very low	43.6	Very low	54 Å²	54	85.8 Å²	85.8	28%	0.283	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-87.6	-3.1	-179.4	-96.2	144.8	0	0	0	115	D481 D482 E486 I488 N504	D481-L484 HydrophobicContact CB-CD1 4.04Å; D481-L484 PolarHBondContact O-N 3.46Å; D482-L484 VanDerWaalsContact C-N 3.32Å; D482-L484 PolarHBondContact O-N 3.39Å; L484-E486 PolarHBondContact O-N 2.74Å; L484-I488 HydrophobicContact CB-CD1 4.2Å; L484-I488 HydrophobicContact CD2-CD1 3.6Å; L484-I488 HydrophobicContact CD2-CG1 3.44Å; L484-I488 VanDerWaalsContact CD2-CG1 3.44Å; L484-I488 WeakPolarHBondContact O-CD1 3.27Å; L484-I488 WeakPolarHBondContact O-CG1 3.4Å; L484-N504 WeakPolarHBondContact CD1-ND2 3.47Å
485	E	38.8	Very low	42.7	Very low	183 Å²	183	85.9 Å²	85.9	86%	0.855	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-62.7	-26.4	168.9	-78.7	-165.8	151.3	0	0	112	N487	E485-N487 PolarHBondContact O-N 3.41Å; E485-N487 VanDerWaalsContact O-N 3.12Å
486	E	38.5	Very low	42.2	Very low	169 Å²	169	90.9 Å²	90.9	79%	0.79	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	93.3	178.4	-70.3	-169.7	162.6	0	0	111.3	L484	L484-E486 PolarHBondContact O-N 2.74Å
487	N	43	Very low	41.9	Very low	78 Å²	78	89.3 Å²	89.3	42%	0.417	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	26.6	149.4	-119	-4.3	0	0	0	118.3	E485 N489 E490 L491	E485-N487 PolarHBondContact O-N 3.41Å; E485-N487 VanDerWaalsContact O-N 3.12Å; N487-N489 PolarHBondContact O-N 2.85Å; N487-E490 PolarHBondContact ND2-OE2 3.27Å; N487-E490 PolarHBondContact O-N 2.81Å; N487-E490 VanDerWaalsContact O-N 3.12Å; N487-L491 WeakPolarHBondContact O-CD1 3.34Å; N487-L491 PolarHBondContact O-N 3.39Å; N487-L491 VanDerWaalsContact O-N 3.14Å
488	I	44.5	Very low	42.3	Very low	36 Å²	36	87.4 Å²	87.4	19%	0.185	46%	0.459	C	S	.	.	H	α-helix	trans	-45	-35.5	163.7	-65.6	172	0	0	0	111	L484 L491 L492 F500 I508	L484-I488 HydrophobicContact CB-CD1 4.2Å; L484-I488 HydrophobicContact CD2-CD1 3.6Å; L484-I488 HydrophobicContact CD2-CG1 3.44Å; L484-I488 VanDerWaalsContact CD2-CG1 3.44Å; L484-I488 WeakPolarHBondContact O-CD1 3.27Å; L484-I488 WeakPolarHBondContact O-CG1 3.4Å; I488-L491 PolarHBondContact O-N 2.86Å; I488-L492 HydrophobicContact CG2-CD1 4.36Å; I488-L492 PolarHBondContact O-N 2.84Å; I488-F500 HydrophobicContact CG2-CE1 4.41Å; I488-F500 HydrophobicContact CG2-CZ 4.13Å; I488-I508 HydrophobicContact CG2-CD1 3.81Å
489	N	40.6	Very low	42.7	Very low	26 Å²	26	92.8 Å²	92.8	14%	0.139	48%	0.477	C	S	.	.	H	α-helix	trans	-66.6	-43.5	-176.7	-54.8	-38.7	0	0	0	113.6	N487 L491 F493 N519 N522	N487-N489 PolarHBondContact O-N 2.85Å; N489-L491 VanDerWaalsContact C-N 3.33Å; N489-F493 WeakPolarHBondContact O-CD2 3.27Å; N489-N519 VanDerWaalsContact ND2-CG 3.26Å; N489-N519 PolarHBondContact ND2-ND2 3.44Å; N489-N522 PolarHBondContact OD1-ND2 2.73Å; N489-N522 PolarHBondContact OD1-OD1 3.36Å
490	E	42.6	Very low	43.3	Very low	98 Å²	98	88.2 Å²	88.2	46%	0.458	45%	0.447	S	S	.	.	H	α-helix	trans	-70.6	-37.4	172.7	-86.8	-168.1	146.3	0	0	110.4	N487 F493 H494	N487-E490 PolarHBondContact ND2-OE2 3.27Å; N487-E490 PolarHBondContact O-N 2.81Å; N487-E490 VanDerWaalsContact O-N 3.12Å; E490-F493 PolarHBondContact O-N 3.1Å; E490-H494 WeakPolarHBondContact O-CA 3.4Å; E490-H494 WeakPolarHBondContact O-CB 3.34Å; E490-H494 PolarHBondContact O-CD2 2.76Å; E490-H494 PolarHBondContact O-N 3.43Å
491	L	43	Very low	44.2	Very low	79 Å²	79	86.1 Å²	86.1	41%	0.414	44%	0.437	S	S	.	.	H	α-helix	trans	-64.3	-47.6	-177.7	-76.8	152.4	0	0	0	112.1	N487 I488 N489 F493 H494 S495 F500	N487-L491 WeakPolarHBondContact O-CD1 3.34Å; N487-L491 PolarHBondContact O-N 3.39Å; N487-L491 VanDerWaalsContact O-N 3.14Å; I488-L491 PolarHBondContact O-N 2.86Å; N489-L491 VanDerWaalsContact C-N 3.33Å; L491-F493 VanDerWaalsContact C-N 3.25Å; L491-F493 PolarHBondContact O-N 3.38Å; L491-H494 PolarHBondContact O-N 3.01Å; L491-S495 WeakPolarHBondContact CA-OG 3.43Å; L491-S495 WeakPolarHBondContact O-CA 3.4Å; L491-S495 WeakPolarHBondContact O-CB 3.24Å; L491-S495 PolarHBondContact O-N 3.44Å; L491-S495 PolarHBondContact O-OG 2.86Å; L491-F500 HydrophobicContact CB-CE2 3.7Å; L491-F500 HydrophobicContact CB-CZ 4Å
492	L	45.7	Very low	45.1	Very low	24 Å²	24	82.2 Å²	82.2	13%	0.126	42%	0.416	C	S	.	.	H	α-helix	trans	-64.6	-30.7	-178.1	-131.6	121.7	0	0	0	112.9	I488 L497 F500 I508 I525	I488-L492 HydrophobicContact CG2-CD1 4.36Å; I488-L492 PolarHBondContact O-N 2.84Å; L492-L497 HydrophobicContact CG-CD2 4.38Å; L492-F500 HydrophobicContact CD1-CE2 4.46Å; L492-F500 HydrophobicContact CD1-CZ 4.21Å; L492-I508 HydrophobicContact CD1-CD1 3.7Å; L492-I508 HydrophobicContact CD1-CG2 4.49Å; L492-I525 HydrophobicContact CD2-CD1 3.9Å
493	F	45.2	Very low	46.1	Very low	14 Å²	14	77.9 Å²	77.9	6%	0.061	39%	0.393	C	S	.	.	H	α-helix	trans	-91.1	-25.9	-179.2	-69.4	-60.6	0	0	0	114.6	Y414 K417 N489 E490 L491 K521 I525	Y414-F493 AromaticContact CD1-CD1 3.45Å; Y414-F493 HydrophobicContact CD1-CD1 3.45Å; Y414-F493 VanDerWaalsContact CD1-CD1 3.45Å; Y414-F493 AromaticContact CD1-CE1 3.17Å; Y414-F493 HydrophobicContact CD1-CE1 3.17Å; Y414-F493 HydrophobicContact CD1-CG 4.46Å; Y414-F493 HydrophobicContact CD1-CZ 4.01Å; Y414-F493 AromaticContact CE1-CD1 3.48Å; Y414-F493 HydrophobicContact CE1-CD1 3.48Å; Y414-F493 VanDerWaalsContact CE1-CD1 3.48Å; Y414-F493 AromaticContact CE1-CE1 3.58Å; Y414-F493 HydrophobicContact CE1-CE1 3.58Å; Y414-F493 HydrophobicContact CE1-CG 4.1Å; Y414-F493 HydrophobicContact CE1-CZ 4.25Å; Y414-F493 HydrophobicContact CG-CE1 4.07Å; K417-F493 HydrophobicContact CD-CD1 4.36Å; K417-F493 PolarHBondContact NZ-O 2.99Å; N489-F493 WeakPolarHBondContact O-CD2 3.27Å; E490-F493 PolarHBondContact O-N 3.1Å; L491-F493 VanDerWaalsContact C-N 3.25Å; L491-F493 PolarHBondContact O-N 3.38Å; F493-K521 HydrophobicContact CE2-CB 4.15Å; F493-I525 HydrophobicContact CE1-CD1 4.14Å; F493-I525 HydrophobicContact CE1-CG1 4.46Å; F493-I525 HydrophobicContact CE2-CD1 4.42Å; F493-I525 HydrophobicContact CZ-CD1 3.69Å; F493-I525 HydrophobicContact CZ-CG1 3.98Å
494	H	44.8	Very low	46.9	Very low	145 Å²	145	72.1 Å²	72.1	67%	0.671	36%	0.362	S	S	*	.	H	α-helix	trans	-118.5	-16.2	-174	-62.7	-73.9	0	0	0	115.1	E490 L491	E490-H494 WeakPolarHBondContact O-CA 3.4Å; E490-H494 WeakPolarHBondContact O-CB 3.34Å; E490-H494 PolarHBondContact O-CD2 2.76Å; E490-H494 PolarHBondContact O-N 3.43Å; L491-H494 PolarHBondContact O-N 3.01Å
495	S	43.6	Very low	47.8	Very low	33 Å²	33	70.2 Å²	70.2	23%	0.231	35%	0.352	C	S	.	.	S	Bend	trans	-101.5	154.6	-176.5	78.9	0	0	0	0	113.2	L491 L497	L491-S495 WeakPolarHBondContact CA-OG 3.43Å; L491-S495 WeakPolarHBondContact O-CA 3.4Å; L491-S495 WeakPolarHBondContact O-CB 3.24Å; L491-S495 PolarHBondContact O-N 3.44Å; L491-S495 PolarHBondContact O-OG 2.86Å; S495-L497 PolarHBondContact O-N 2.77Å
496	D	46.3	Very low	48.8	Very low	109 Å²	109	61.5 Å²	61.5	58%	0.583	31%	0.311	S	S	*	.			trans	-59.8	108.4	172	-121.2	-32.3	0	0	0	108.6	N498 K499	D496-N498 PolarHBondContact O-N 3.45Å; D496-K499 HydrophobicContact CB-CG 4.37Å; D496-K499 WeakPolarHBondContact O-CB 3.49Å; D496-K499 PolarHBondContact O-N 3.46Å
497	L	48.2	Very low	49.8	Very low	29 Å²	29	54.2 Å²	54.2	15%	0.152	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-52.2	-23	179.4	-75.5	156	0	0	0	112.6	A421 L424 L492 S495 K499 F500 L505	A421-L497 HydrophobicContact CB-CD1 3.76Å; A421-L497 HydrophobicContact CB-CD2 3.64Å; A421-L497 HydrophobicContact CB-CG 4.36Å; L424-L497 HydrophobicContact CD1-CB 3.82Å; L424-L497 HydrophobicContact CD1-CD1 3.83Å; L424-L497 HydrophobicContact CD1-CG 4.49Å; L492-L497 HydrophobicContact CG-CD2 4.38Å; S495-L497 PolarHBondContact O-N 2.77Å; L497-K499 PolarHBondContact O-N 3.38Å; L497-F500 PolarHBondContact O-N 3.32Å; L497-L505 HydrophobicContact CD2-CD1 4.13Å
498	N	52.4	Low	50.5	Low	89 Å²	89	51.3 Å²	51.3	48%	0.476	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-60.1	-22.5	174.4	-78	-34.3	0	0	0	114.5	R428 D496	R428-N498 PolarHBondContact NH1-O 2.84Å; R428-N498 VanDerWaalsContact NH2-CA 3.31Å; R428-N498 PolarHBondContact NH2-O 3.32Å; R428-N498 VanDerWaalsContact NH2-O 3.15Å; R428-N498 PolarHBondContact NH2-OD1 2.84Å; D496-N498 PolarHBondContact O-N 3.45Å
499	K	52.7	Low	51.3	Low	175 Å²	175	50.3 Å²	50.3	76%	0.761	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-85.7	-11.1	179.8	-65.7	-175.3	178.8	-178	0	114.1	D496 L497	D496-K499 HydrophobicContact CB-CG 4.37Å; D496-K499 WeakPolarHBondContact O-CB 3.49Å; D496-K499 PolarHBondContact O-N 3.46Å; L497-K499 PolarHBondContact O-N 3.38Å
500	F	50.6	Low	52.2	Low	21 Å²	21	49.3 Å²	49.3	9%	0.092	25%	0.251	C	S	.	.	S	Bend	trans	-76.3	141.8	177.8	-104.5	-91.8	0	0	0	111.6	I488 L491 L492 L497 N504 L505 I508	I488-F500 HydrophobicContact CG2-CE1 4.41Å; I488-F500 HydrophobicContact CG2-CZ 4.13Å; L491-F500 HydrophobicContact CB-CE2 3.7Å; L491-F500 HydrophobicContact CB-CZ 4Å; L492-F500 HydrophobicContact CD1-CE2 4.46Å; L492-F500 HydrophobicContact CD1-CZ 4.21Å; L497-F500 PolarHBondContact O-N 3.32Å; F500-N504 HydrophobicContact CD1-CB 4.25Å; F500-L505 HydrophobicContact CB-CD1 3.54Å; F500-L505 HydrophobicContact CD1-CD1 4.39Å; F500-L505 HydrophobicContact CG-CD1 3.97Å; F500-I508 HydrophobicContact CE1-CD1 4.28Å
501	S	57.7	Low	53	Low	56 Å²	56	45.3 Å²	45.3	39%	0.392	23%	0.232	S	C	.	.			trans	-66.4	139.8	167.1	70.4	0	0	0	0	109.5	N503 N504 L505	S501-N503 VanDerWaalsContact C-N 3.25Å; S501-N503 PolarHBondContact O-N 2.99Å; S501-N504 PolarHBondContact O-N 3.39Å; S501-N504 WeakPolarHBondContact OG-CB 3.49Å; S501-N504 PolarHBondContact OG-N 3.17Å; S501-N504 PolarHBondContact OG-ND2 3.01Å; S501-N504 VanDerWaalsContact OG-ND2 3.08Å; S501-N504 PolarHBondContact OG-OD1 3.1Å; S501-L505 PolarHBondContact O-N 3.22Å
502	L	55	Low	53.6	Low	28 Å²	28	46.3 Å²	46.3	15%	0.147	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-35.1	-177	-159.4	77.1	0	0	0	111.6	L425 R428 L429 F432 P445 L505 A506	L425-L502 HydrophobicContact CD1-CD1 3.88Å; L425-L502 HydrophobicContact CD1-CG 4.21Å; R428-L502 HydrophobicContact CB-CD1 3.51Å; R428-L502 HydrophobicContact CG-CD1 4.32Å; L429-L502 HydrophobicContact CD2-CD2 4Å; F432-L502 HydrophobicContact CD2-CD2 4.39Å; F432-L502 HydrophobicContact CE2-CD2 4.29Å; P445-L502 HydrophobicContact CG-CD2 3.92Å; P445-L502 HydrophobicContact CG-CG 4.3Å; L502-L505 PolarHBondContact O-N 3.34Å; L502-A506 WeakPolarHBondContact O-CB 3.38Å; L502-A506 PolarHBondContact O-N 2.87Å
503	N	56.8	Low	53.9	Low	40 Å²	40	47.6 Å²	47.6	21%	0.214	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-47.5	178.4	-69.5	7.3	0	0	0	112.1	P445 T478 S501 L505 A506 Q507	P445-N503 WeakPolarHBondContact CB-OD1 3.04Å; T478-N503 WeakPolarHBondContact CG2-ND2 3.49Å; T478-N503 PolarHBondContact OG1-ND2 3.42Å; S501-N503 VanDerWaalsContact C-N 3.25Å; S501-N503 PolarHBondContact O-N 2.99Å; N503-L505 VanDerWaalsContact C-N 3.27Å; N503-L505 PolarHBondContact O-N 3.05Å; N503-A506 PolarHBondContact O-N 2.82Å; N503-Q507 WeakPolarHBondContact O-CG 3.12Å; N503-Q507 PolarHBondContact O-N 2.96Å
504	N	56.8	Low	54.2	Low	29 Å²	29	50.9 Å²	50.9	16%	0.155	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-40.1	179.3	-67.2	-0.3	0	0	0	110.4	L484 F500 S501 Q507 I508	L484-N504 WeakPolarHBondContact CD1-ND2 3.47Å; F500-N504 HydrophobicContact CD1-CB 4.25Å; S501-N504 PolarHBondContact O-N 3.39Å; S501-N504 WeakPolarHBondContact OG-CB 3.49Å; S501-N504 PolarHBondContact OG-N 3.17Å; S501-N504 PolarHBondContact OG-ND2 3.01Å; S501-N504 VanDerWaalsContact OG-ND2 3.08Å; S501-N504 PolarHBondContact OG-OD1 3.1Å; N504-Q507 PolarHBondContact O-N 2.8Å; N504-I508 WeakPolarHBondContact O-CD1 3.45Å; N504-I508 WeakPolarHBondContact O-CG1 3.41Å; N504-I508 PolarHBondContact O-N 3.09Å
505	L	56.4	Low	54.4	Low	13 Å²	13	44.4 Å²	44.4	7%	0.068	23%	0.227	C	C	.	.	H	α-helix	trans	-70.7	-34.6	-179.6	-145.7	142.9	0	0	0	111.3	L425 L497 F500 S501 L502 N503 I509	L425-L505 HydrophobicContact CB-CD2 3.63Å; L425-L505 HydrophobicContact CD1-CB 3.63Å; L425-L505 HydrophobicContact CD1-CD2 3.38Å; L425-L505 HydrophobicContact CD1-CG 4.09Å; L425-L505 HydrophobicContact CG-CD2 4Å; L497-L505 HydrophobicContact CD2-CD1 4.13Å; F500-L505 HydrophobicContact CB-CD1 3.54Å; F500-L505 HydrophobicContact CD1-CD1 4.39Å; F500-L505 HydrophobicContact CG-CD1 3.97Å; S501-L505 PolarHBondContact O-N 3.22Å; L502-L505 PolarHBondContact O-N 3.34Å; N503-L505 VanDerWaalsContact C-N 3.27Å; N503-L505 PolarHBondContact O-N 3.05Å; L505-I509 HydrophobicContact CD2-CD1 3.77Å; L505-I509 WeakPolarHBondContact O-CG1 3.47Å; L505-I509 PolarHBondContact O-N 2.94Å
506	A	60.3	Low	54.5	Low	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-46.1	169.7	0	0	0	0	0	111.7	L425 P445 L502 N503 I508 I509 L510	L425-A506 HydrophobicContact CD1-CB 4.47Å; P445-A506 HydrophobicContact CB-CB 4.11Å; P445-A506 HydrophobicContact CG-CB 4.28Å; L502-A506 WeakPolarHBondContact O-CB 3.38Å; L502-A506 PolarHBondContact O-N 2.87Å; N503-A506 PolarHBondContact O-N 2.82Å; A506-I508 PolarHBondContact O-N 3.34Å; A506-I509 PolarHBondContact O-N 2.98Å; A506-L510 HydrophobicContact CB-CD1 4.06Å; A506-L510 VanDerWaalsContact O-CB 3.25Å; A506-L510 WeakPolarHBondContact O-CB 3.27Å; A506-L510 VanDerWaalsContact O-CD1 3.27Å; A506-L510 WeakPolarHBondContact O-CD1 3.4Å; A506-L510 WeakPolarHBondContact O-CG 3.31Å; A506-L510 PolarHBondContact O-N 3.29Å
507	Q	60.4	Low	54.4	Low	16 Å²	16	46.7 Å²	46.7	8%	0.075	24%	0.236	C	C	.	.	H	α-helix	trans	-58.5	-45.8	176.8	-77.3	-179	-14.1	0	0	112.1	V475 N503 N504 I509 L510 F511 Y514	V475-Q507 HydrophobicContact CG1-CG 4.07Å; N503-Q507 WeakPolarHBondContact O-CG 3.12Å; N503-Q507 PolarHBondContact O-N 2.96Å; N504-Q507 PolarHBondContact O-N 2.8Å; Q507-I509 VanDerWaalsContact C-N 3.32Å; Q507-I509 PolarHBondContact O-N 3.44Å; Q507-L510 PolarHBondContact O-N 2.85Å; Q507-F511 HydrophobicContact CB-CD2 4.31Å; Q507-F511 HydrophobicContact CG-CD2 4.32Å; Q507-F511 HydrophobicContact CG-CE2 4.41Å; Q507-F511 PolarHBondContact O-N 2.71Å; Q507-Y514 HydrophobicContact CB-CD2 4.4Å; Q507-Y514 HydrophobicContact CB-CE2 4.37Å
508	I	57.2	Low	54.3	Low	17 Å²	17	52.9 Å²	52.9	9%	0.087	27%	0.27	C	S	.	.	H	α-helix	trans	-57.6	-45.1	177.4	-70.2	164.3	0	0	0	110.8	I488 L492 F500 N504 A506 M515	I488-I508 HydrophobicContact CG2-CD1 3.81Å; L492-I508 HydrophobicContact CD1-CD1 3.7Å; L492-I508 HydrophobicContact CD1-CG2 4.49Å; F500-I508 HydrophobicContact CE1-CD1 4.28Å; N504-I508 WeakPolarHBondContact O-CD1 3.45Å; N504-I508 WeakPolarHBondContact O-CG1 3.41Å; N504-I508 PolarHBondContact O-N 3.09Å; A506-I508 PolarHBondContact O-N 3.34Å; I508-M515 HydrophobicContact CG2-CE 3.63Å; I508-M515 HydrophobicContact CG2-SD 4.02Å; I508-M515 VanDerWaalsContact O-CE 3.3Å; I508-M515 WeakPolarHBondContact O-CE 3.04Å
509	I	60.1	Low	53.9	Low	15 Å²	15	52.4 Å²	52.4	8%	0.077	27%	0.267	C	S	.	.	H	α-helix	trans	-76.2	-33.5	-176.2	-72.3	164.8	0	0	0	112.1	C422 L425 L505 A506 Q507 L529 L533 F589	C422-I509 HydrophobicContact CB-CD1 4.48Å; C422-I509 VanDerWaalsContact SG-CD1 3.6Å; L425-I509 HydrophobicContact CB-CD1 4.28Å; L425-I509 HydrophobicContact CD2-CD1 3.76Å; L425-I509 HydrophobicContact CG-CD1 4.44Å; L505-I509 HydrophobicContact CD2-CD1 3.77Å; L505-I509 WeakPolarHBondContact O-CG1 3.47Å; L505-I509 PolarHBondContact O-N 2.94Å; A506-I509 PolarHBondContact O-N 2.98Å; Q507-I509 VanDerWaalsContact C-N 3.32Å; Q507-I509 PolarHBondContact O-N 3.44Å; I509-L529 HydrophobicContact CB-CD1 4.33Å; I509-L529 HydrophobicContact CG1-CD1 4.21Å; I509-L529 HydrophobicContact CG2-CD1 4.25Å; I509-L533 HydrophobicContact CG2-CD2 4.1Å; I509-F589 WeakPolarHBondContact O-CZ 3.45Å
510	L	60.7	Low	53.5	Low	5 Å²	5	49.7 Å²	49.7	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-90.1	-32.9	-171	-63.9	164.1	0	0	0	113.1	L446 V475 A506 Q507 W588 K601 L653	L446-L510 HydrophobicContact CD1-CD1 4.14Å; L446-L510 HydrophobicContact CD2-CD1 3.31Å; L446-L510 HydrophobicContact CD2-CD2 4.29Å; L446-L510 HydrophobicContact CD2-CG 4.44Å; L446-L510 HydrophobicContact CG-CD1 3.89Å; V475-L510 HydrophobicContact CG2-CD1 3.69Å; A506-L510 HydrophobicContact CB-CD1 4.06Å; A506-L510 VanDerWaalsContact O-CB 3.25Å; A506-L510 WeakPolarHBondContact O-CB 3.27Å; A506-L510 VanDerWaalsContact O-CD1 3.27Å; A506-L510 WeakPolarHBondContact O-CD1 3.4Å; A506-L510 WeakPolarHBondContact O-CG 3.31Å; A506-L510 PolarHBondContact O-N 3.29Å; Q507-L510 PolarHBondContact O-N 2.85Å; L510-W588 HydrophobicContact CB-CZ2 4.28Å; L510-W588 HydrophobicContact CD2-CH2 4.04Å; L510-W588 HydrophobicContact CD2-CZ2 3.4Å; L510-W588 HydrophobicContact CG-CZ2 4.43Å; L510-W588 PolarHBondContact O-NE1 2.86Å; L510-K601 WeakPolarHBondContact O-CE 3.41Å; L510-K601 PolarHBondContact O-NZ 2.74Å; L510-L653 HydrophobicContact CD2-CD1 4.32Å
511	F	59.8	Low	53.2	Low	14 Å²	14	53.4 Å²	53.4	6%	0.061	28%	0.282	C	S	.	.			trans	-113.1	123.4	-173.5	-58.9	-68.1	0	0	0	112.4	V475 Q507 S513 Y514 D598 K601	V475-F511 HydrophobicContact CB-CE2 3.86Å; V475-F511 HydrophobicContact CB-CZ 4.11Å; V475-F511 HydrophobicContact CG1-CE2 4.48Å; V475-F511 HydrophobicContact CG2-CE2 3.45Å; V475-F511 VanDerWaalsContact CG2-CE2 3.45Å; V475-F511 HydrophobicContact CG2-CZ 3.66Å; Q507-F511 HydrophobicContact CB-CD2 4.31Å; Q507-F511 HydrophobicContact CG-CD2 4.32Å; Q507-F511 HydrophobicContact CG-CE2 4.41Å; Q507-F511 PolarHBondContact O-N 2.71Å; F511-S513 PolarHBondContact O-N 3.24Å; F511-Y514 HydrophobicContact CB-CD2 4.19Å; F511-D598 WeakPolarHBondContact CD1-O 3.36Å; F511-D598 VanDerWaalsContact CE1-O 3.23Å; F511-D598 WeakPolarHBondContact CE1-O 3.34Å; F511-D598 WeakPolarHBondContact CE2-O 2.85Å; F511-D598 VanDerWaalsContact CZ-O 3.3Å; F511-D598 WeakPolarHBondContact CZ-O 3.43Å; F511-K601 HydrophobicContact CE1-CG 4.47Å
512	K	54	Low	52.6	Low	100 Å²	100	51.4 Å²	51.4	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-27.5	179.1	-175.6	168.6	177.1	159.8	0	112.7	Y514 M515 N516 E530 F589	K512-Y514 PolarHBondContact O-N 2.92Å; K512-M515 WeakPolarHBondContact O-CB 3.17Å; K512-M515 PolarHBondContact O-N 3.45Å; K512-M515 VanDerWaalsContact O-N 3.08Å; K512-N516 PolarHBondContact O-N 2.85Å; K512-N516 VanDerWaalsContact O-N 3.13Å; K512-E530 VanDerWaalsContact CE-OE1 3.23Å; K512-E530 WeakPolarHBondContact CE-OE1 3.13Å; K512-E530 IonicContact NZ-OE1 3.99Å; K512-E530 PolarHBondContact NZ-OE1 3.13Å; K512-F589 HydrophobicContact CB-CE1 4.24Å
513	S	52.7	Low	52.4	Low	52 Å²	52	56 Å²	56	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-58	-44.6	-179.1	48.7	0	0	0	0	112.3	F511 M515 N516	F511-S513 PolarHBondContact O-N 3.24Å; S513-M515 VanDerWaalsContact C-N 3.25Å; S513-M515 PolarHBondContact O-N 3.36Å; S513-N516 PolarHBondContact O-N 3.25Å
514	Y	50.6	Low	52.2	Low	83 Å²	83	56 Å²	56	33%	0.325	28%	0.282	S	S	.	.	H	α-helix	trans	-68.1	-23.6	177.5	-75.5	-83.5	0	0	0	113.5	Q507 F511 K512	Q507-Y514 HydrophobicContact CB-CD2 4.4Å; Q507-Y514 HydrophobicContact CB-CE2 4.37Å; F511-Y514 HydrophobicContact CB-CD2 4.19Å; K512-Y514 PolarHBondContact O-N 2.92Å
515	M	50	Low	52.1	Low	9 Å²	9	55 Å²	55	4%	0.044	28%	0.277	C	S	.	.	H	α-helix	trans	-79.6	-32.2	175.6	-68.6	-65.8	-159.5	0	0	112.6	I508 K512 S513 N517 N522 I525 L529	I508-M515 HydrophobicContact CG2-CE 3.63Å; I508-M515 HydrophobicContact CG2-SD 4.02Å; I508-M515 VanDerWaalsContact O-CE 3.3Å; I508-M515 WeakPolarHBondContact O-CE 3.04Å; K512-M515 WeakPolarHBondContact O-CB 3.17Å; K512-M515 PolarHBondContact O-N 3.45Å; K512-M515 VanDerWaalsContact O-N 3.08Å; S513-M515 VanDerWaalsContact C-N 3.25Å; S513-M515 PolarHBondContact O-N 3.36Å; M515-N517 PolarHBondContact O-N 3.34Å; M515-N522 WeakPolarHBondContact O-CB 3.33Å; M515-N522 PolarHBondContact O-ND2 2.81Å; M515-I525 HydrophobicContact CE-CB 3.87Å; M515-I525 HydrophobicContact CE-CG2 3.34Å; M515-I525 HydrophobicContact SD-CB 4.23Å; M515-I525 HydrophobicContact SD-CG2 4.33Å; M515-L529 HydrophobicContact CE-CD1 3.42Å; M515-L529 VanDerWaalsContact CE-CD1 3.42Å
516	N	45.6	Very low	52.2	Low	84 Å²	84	54.8 Å²	54.8	45%	0.449	28%	0.277	S	S	.	.			trans	-87.4	-1	-167	-134.2	15.6	0	0	0	114.5	K512 S513 N518	K512-N516 PolarHBondContact O-N 2.85Å; K512-N516 VanDerWaalsContact O-N 3.13Å; S513-N516 PolarHBondContact O-N 3.25Å; N516-N518 PolarHBondContact O-N 3.27Å
517	N	44.4	Very low	52.4	Low	105 Å²	105	57.5 Å²	57.5	56%	0.561	29%	0.291	S	S	*	.	S	Bend	trans	-67.7	97	178	-86.7	-3.2	0	0	0	111.3	M515 N519	M515-N517 PolarHBondContact O-N 3.34Å; N517-N519 PolarHBondContact O-N 2.8Å
518	N	45	Very low	52.5	Low	160 Å²	160	56.8 Å²	56.8	86%	0.856	29%	0.288	S	S	*	.	S	Bend	trans	35.9	-1.6	158.9	-76.2	-12.1	0	0	0	121	N516	N516-N518 PolarHBondContact O-N 3.27Å
519	N	44.8	Very low	52.9	Low	79 Å²	79	56 Å²	56	42%	0.422	28%	0.283	S	S	.	.			trans	-99.7	110.4	-178.4	-79	-63	0	0	0	107.9	N489 N517 K521 N522	N489-N519 VanDerWaalsContact ND2-CG 3.26Å; N489-N519 PolarHBondContact ND2-ND2 3.44Å; N517-N519 PolarHBondContact O-N 2.8Å; N519-K521 PolarHBondContact O-N 3.46Å; N519-N522 PolarHBondContact O-N 3.18Å
520	T	44	Very low	53.3	Low	118 Å²	118	57.9 Å²	57.9	72%	0.724	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-21.1	178.1	48.3	0	0	0	0	114.1
521	K	44.4	Very low	53.8	Low	99 Å²	99	63.2 Å²	63.2	43%	0.43	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.5	176.4	-66.3	-178.2	-179	174.8	0	114	F493 N519	F493-K521 HydrophobicContact CE2-CB 4.15Å; N519-K521 PolarHBondContact O-N 3.46Å
522	N	46	Very low	54.4	Low	13 Å²	13	64.5 Å²	64.5	7%	0.07	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-21.5	-173.8	-70	-8.8	0	0	0	114.1	N489 M515 N519 I524 I525 S526	N489-N522 PolarHBondContact OD1-ND2 2.73Å; N489-N522 PolarHBondContact OD1-OD1 3.36Å; M515-N522 WeakPolarHBondContact O-CB 3.33Å; M515-N522 PolarHBondContact O-ND2 2.81Å; N519-N522 PolarHBondContact O-N 3.18Å; N522-I524 PolarHBondContact O-N 2.84Å; N522-I524 VanDerWaalsContact O-N 3.12Å; N522-I525 PolarHBondContact O-N 2.84Å; N522-S526 PolarHBondContact O-N 2.95Å; N522-S526 VanDerWaalsContact O-N 3.1Å
523	Y	51	Low	55.4	Low	124 Å²	124	60 Å²	60	49%	0.486	30%	0.3	S	S	.	.	H	α-helix	trans	-55.4	-33.8	178.8	-74.6	-74.3	0	0	0	112.5	D527	Y523-D527 WeakPolarHBondContact O-CB 3.47Å; Y523-D527 PolarHBondContact O-N 3.3Å
524	I	51.1	Low	56.5	Low	40 Å²	40	59.4 Å²	59.4	21%	0.205	29%	0.29	C	S	.	.	H	α-helix	trans	-70.8	-38.7	-176.8	-57.7	175.3	0	0	0	112.1	K411 Y414 Q415 N522 Y528	K411-I524 HydrophobicContact CG-CG2 4.09Å; Y414-I524 HydrophobicContact CD2-CD1 3.63Å; Y414-I524 HydrophobicContact CE2-CD1 4.18Å; Y414-I524 HydrophobicContact CG-CD1 4.4Å; Q415-I524 HydrophobicContact CG-CG2 4.44Å; N522-I524 PolarHBondContact O-N 2.84Å; N522-I524 VanDerWaalsContact O-N 3.12Å; I524-Y528 WeakPolarHBondContact O-CB 3.39Å; I524-Y528 PolarHBondContact O-N 3.16Å
525	I	55	Low	57.8	Low	9 Å²	9	55.4 Å²	55.4	5%	0.046	28%	0.275	C	S	.	.	H	α-helix	trans	-72.2	-46	177.9	-48.6	-173.2	0	0	0	109.2	S418 L492 F493 M515 N522 D527 Y528 L529	S418-I525 WeakPolarHBondContact OG-CG1 3.43Å; L492-I525 HydrophobicContact CD2-CD1 3.9Å; F493-I525 HydrophobicContact CE1-CD1 4.14Å; F493-I525 HydrophobicContact CE1-CG1 4.46Å; F493-I525 HydrophobicContact CE2-CD1 4.42Å; F493-I525 HydrophobicContact CZ-CD1 3.69Å; F493-I525 HydrophobicContact CZ-CG1 3.98Å; M515-I525 HydrophobicContact CE-CB 3.87Å; M515-I525 HydrophobicContact CE-CG2 3.34Å; M515-I525 HydrophobicContact SD-CB 4.23Å; M515-I525 HydrophobicContact SD-CG2 4.33Å; N522-I525 PolarHBondContact O-N 2.84Å; I525-D527 PolarHBondContact O-N 2.72Å; I525-Y528 WeakPolarHBondContact O-CB 3.38Å; I525-Y528 PolarHBondContact O-N 2.85Å; I525-Y528 VanDerWaalsContact O-N 3.1Å; I525-L529 HydrophobicContact CG2-CD1 4.07Å; I525-L529 HydrophobicContact CG2-CG 4.18Å; I525-L529 WeakPolarHBondContact O-CG 3.26Å; I525-L529 PolarHBondContact O-N 2.7Å
526	S	58.9	Low	59.1	Low	9 Å²	9	55.1 Å²	55.1	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-56.5	-51.1	176.3	-165.2	0	0	0	0	111.4	N522 Y528 L529 E530	N522-S526 PolarHBondContact O-N 2.95Å; N522-S526 VanDerWaalsContact O-N 3.1Å; S526-Y528 PolarHBondContact O-N 2.68Å; S526-L529 PolarHBondContact O-N 2.97Å; S526-E530 VanDerWaalsContact O-CB 3.31Å; S526-E530 WeakPolarHBondContact O-CB 3.44Å; S526-E530 VanDerWaalsContact O-CG 3.29Å; S526-E530 WeakPolarHBondContact O-CG 3.45Å; S526-E530 PolarHBondContact O-N 3.13Å
527	D	63.8	Low	60.4	Low	57 Å²	57	51.3 Å²	51.3	31%	0.305	25%	0.253	S	S	.	.	H	α-helix	trans	-56.1	-34.8	176.6	-92.1	18.9	0	0	0	112.5	K411 Y523 I525 K531	K411-D527 IonicContact NZ-OD2 2.75Å; Y523-D527 WeakPolarHBondContact O-CB 3.47Å; Y523-D527 PolarHBondContact O-N 3.3Å; I525-D527 PolarHBondContact O-N 2.72Å; D527-K531 WeakPolarHBondContact O-CG 3.38Å
528	Y	63.3	Low	61.9	Low	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-75.2	-52	179.8	-176.1	-101	0	0	0	111.2	Q415 I524 I525 S526 E530 K531 Y532 F655 Q656 P657 P658	Q415-Y528 HydrophobicContact CB-CD2 3.66Å; Q415-Y528 HydrophobicContact CB-CE2 3.95Å; Q415-Y528 HydrophobicContact CB-CG 4.17Å; Q415-Y528 HydrophobicContact CG-CD2 3.4Å; Q415-Y528 HydrophobicContact CG-CE2 4.15Å; Q415-Y528 HydrophobicContact CG-CG 3.89Å; I524-Y528 WeakPolarHBondContact O-CB 3.39Å; I524-Y528 PolarHBondContact O-N 3.16Å; I525-Y528 WeakPolarHBondContact O-CB 3.38Å; I525-Y528 PolarHBondContact O-N 2.85Å; I525-Y528 VanDerWaalsContact O-N 3.1Å; S526-Y528 PolarHBondContact O-N 2.68Å; Y528-E530 PolarHBondContact O-N 2.9Å; Y528-K531 PolarHBondContact O-N 2.8Å; Y528-Y532 AromaticContact CD2-CD2 3.21Å; Y528-Y532 HydrophobicContact CD2-CD2 3.21Å; Y528-Y532 AromaticContact CD2-CE2 3.52Å; Y528-Y532 HydrophobicContact CD2-CE2 3.52Å; Y528-Y532 HydrophobicContact CD2-CG 4.22Å; Y528-Y532 HydrophobicContact CE1-CD2 4.4Å; Y528-Y532 AromaticContact CE2-CD2 3.09Å; Y528-Y532 HydrophobicContact CE2-CD2 3.09Å; Y528-Y532 AromaticContact CE2-CE2 3.47Å; Y528-Y532 HydrophobicContact CE2-CE2 3.47Å; Y528-Y532 VanDerWaalsContact CE2-CE2 3.47Å; Y528-Y532 AromaticContact CE2-CG 3.72Å; Y528-Y532 HydrophobicContact CE2-CG 3.72Å; Y528-Y532 AromaticContact CG-CD2 3.95Å; Y528-Y532 HydrophobicContact CG-CD2 3.95Å; Y528-Y532 AromaticContact CZ-CD2 3.73Å; Y528-Y532 AromaticContact CZ-CG 3.93Å; Y528-Y532 VanDerWaalsContact O-CD2 3.25Å; Y528-Y532 WeakPolarHBondContact O-CD2 3.22Å; Y528-Y532 PolarHBondContact O-N 3.43Å; Y528-F655 AromaticContact CD1-CZ 3.98Å; Y528-F655 HydrophobicContact CD1-CZ 3.98Å; Y528-F655 AromaticContact CE1-CE1 3.61Å; Y528-F655 HydrophobicContact CE1-CE1 3.61Å; Y528-F655 HydrophobicContact CE1-CE2 4.41Å; Y528-F655 AromaticContact CE1-CZ 3.41Å; Y528-F655 HydrophobicContact CE1-CZ 3.41Å; Y528-F655 VanDerWaalsContact CE1-CZ 3.41Å; Y528-Q656 PolarHBondContact OH-O 3.31Å; Y528-P657 VanDerWaalsContact OH-C 3.28Å; Y528-P658 HydrophobicContact CE2-CB 3.6Å; Y528-P658 WeakPolarHBondContact OH-CA 3.27Å; Y528-P658 WeakPolarHBondContact OH-CD 3.36Å
529	L	65.6	Low	62.9	Low	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-36.2	179.3	-60	178.9	0	0	0	111.5	I509 M515 I525 S526 K531 L533 F589 F655	I509-L529 HydrophobicContact CB-CD1 4.33Å; I509-L529 HydrophobicContact CG1-CD1 4.21Å; I509-L529 HydrophobicContact CG2-CD1 4.25Å; M515-L529 HydrophobicContact CE-CD1 3.42Å; M515-L529 VanDerWaalsContact CE-CD1 3.42Å; I525-L529 HydrophobicContact CG2-CD1 4.07Å; I525-L529 HydrophobicContact CG2-CG 4.18Å; I525-L529 WeakPolarHBondContact O-CG 3.26Å; I525-L529 PolarHBondContact O-N 2.7Å; S526-L529 PolarHBondContact O-N 2.97Å; L529-K531 PolarHBondContact O-N 2.96Å; L529-L533 VanDerWaalsContact O-CB 3.23Å; L529-L533 WeakPolarHBondContact O-CB 3.43Å; L529-L533 PolarHBondContact O-N 3.08Å; L529-L533 VanDerWaalsContact O-N 3.07Å; L529-F589 HydrophobicContact CB-CE2 3.72Å; L529-F589 HydrophobicContact CB-CZ 4.47Å; L529-F655 HydrophobicContact CD2-CE2 3.36Å; L529-F655 HydrophobicContact CD2-CZ 3.49Å; L529-F655 VanDerWaalsContact CD2-CZ 3.49Å
530	E	68.7	Low	63.8	Low	55 Å²	55	39.3 Å²	39.3	26%	0.257	19%	0.185	S	C	.	.	H	α-helix	trans	-60.1	-27.6	174.6	-79	-175.6	175.9	0	0	113.8	K512 S526 Y528 F589	K512-E530 VanDerWaalsContact CE-OE1 3.23Å; K512-E530 WeakPolarHBondContact CE-OE1 3.13Å; K512-E530 IonicContact NZ-OE1 3.99Å; K512-E530 PolarHBondContact NZ-OE1 3.13Å; S526-E530 VanDerWaalsContact O-CB 3.31Å; S526-E530 WeakPolarHBondContact O-CB 3.44Å; S526-E530 VanDerWaalsContact O-CG 3.29Å; S526-E530 WeakPolarHBondContact O-CG 3.45Å; S526-E530 PolarHBondContact O-N 3.13Å; Y528-E530 PolarHBondContact O-N 2.9Å; E530-F589 HydrophobicContact CB-CD2 4.41Å; E530-F589 HydrophobicContact CG-CB 3.95Å; E530-F589 HydrophobicContact CG-CD2 3.91Å; E530-F589 HydrophobicContact CG-CG 3.96Å
531	K	70.6	Confident	64.3	Low	118 Å²	118	34.6 Å²	34.6	51%	0.513	16%	0.159	S	C	.	.	H	α-helix	trans	-100.4	-24.9	-177.2	-69	-177.3	-177	-167	0	114.3	D527 Y528 L529 Y534	D527-K531 WeakPolarHBondContact O-CG 3.38Å; Y528-K531 PolarHBondContact O-N 2.8Å; L529-K531 PolarHBondContact O-N 2.96Å; K531-Y534 PolarHBondContact O-OH 3.15Å
532	Y	73.7	Confident	64.6	Low	41 Å²	41	32.2 Å²	32.2	16%	0.161	15%	0.152	C	C	.	.	H	α-helix	trans	-127.3	-2.9	-166.4	-60.7	-75.1	0	0	0	115	Y528 Q656	Y528-Y532 AromaticContact CD2-CD2 3.21Å; Y528-Y532 HydrophobicContact CD2-CD2 3.21Å; Y528-Y532 AromaticContact CD2-CE2 3.52Å; Y528-Y532 HydrophobicContact CD2-CE2 3.52Å; Y528-Y532 HydrophobicContact CD2-CG 4.22Å; Y528-Y532 HydrophobicContact CE1-CD2 4.4Å; Y528-Y532 AromaticContact CE2-CD2 3.09Å; Y528-Y532 HydrophobicContact CE2-CD2 3.09Å; Y528-Y532 AromaticContact CE2-CE2 3.47Å; Y528-Y532 HydrophobicContact CE2-CE2 3.47Å; Y528-Y532 VanDerWaalsContact CE2-CE2 3.47Å; Y528-Y532 AromaticContact CE2-CG 3.72Å; Y528-Y532 HydrophobicContact CE2-CG 3.72Å; Y528-Y532 AromaticContact CG-CD2 3.95Å; Y528-Y532 HydrophobicContact CG-CD2 3.95Å; Y528-Y532 AromaticContact CZ-CD2 3.73Å; Y528-Y532 AromaticContact CZ-CG 3.93Å; Y528-Y532 VanDerWaalsContact O-CD2 3.25Å; Y528-Y532 WeakPolarHBondContact O-CD2 3.22Å; Y528-Y532 PolarHBondContact O-N 3.43Å; Y532-Q656 HydrophobicContact CD1-CB 4.05Å; Y532-Q656 PolarHBondContact O-N 2.81Å
533	L	74.1	Confident	64.6	Low	4 Å²	4	39.7 Å²	39.7	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.7	171.8	-178.1	64	0	0	0	109.9	I509 L529 W588 F589 L653 F655	I509-L533 HydrophobicContact CG2-CD2 4.1Å; L529-L533 VanDerWaalsContact O-CB 3.23Å; L529-L533 WeakPolarHBondContact O-CB 3.43Å; L529-L533 PolarHBondContact O-N 3.08Å; L529-L533 VanDerWaalsContact O-N 3.07Å; L533-W588 HydrophobicContact CB-CB 4.16Å; L533-W588 HydrophobicContact CD2-CB 3.83Å; L533-W588 VanDerWaalsContact CD2-CD1 3.49Å; L533-W588 HydrophobicContact CD2-CD2 4.41Å; L533-W588 HydrophobicContact CD2-CG 3.65Å; L533-W588 HydrophobicContact CG-CB 3.66Å; L533-W588 HydrophobicContact CG-CG 4.01Å; L533-W588 WeakPolarHBondContact O-CB 3.25Å; L533-W588 PolarHBondContact O-N 2.95Å; L533-F589 HydrophobicContact CD2-CE2 4.21Å; L533-L653 HydrophobicContact CD1-CD2 4.49Å; L533-F655 HydrophobicContact CB-CD2 4.05Å; L533-F655 HydrophobicContact CB-CE2 3.99Å; L533-F655 HydrophobicContact CD1-CD2 3.59Å; L533-F655 HydrophobicContact CD1-CE2 4.13Å; L533-F655 HydrophobicContact CG-CD2 4.37Å
534	Y	76.4	Confident	64.1	Low	40 Å²	40	36.7 Å²	36.7	16%	0.157	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.3	-179.2	-66.2	-99.4	0	0	0	110.9	K531 R585 E586 L587 L653 E654 Q656	K531-Y534 PolarHBondContact O-OH 3.15Å; Y534-R585 HydrophobicContact CD1-CG 3.99Å; Y534-E586 CarbonylContact C-O 3.6Å; Y534-E586 WeakPolarHBondContact CA-O 3.31Å; Y534-E586 WeakPolarHBondContact CB-O 3.34Å; Y534-L587 HydrophobicContact CD1-CD2 3.94Å; Y534-L587 HydrophobicContact CD1-CG 4.21Å; Y534-L587 HydrophobicContact CD2-CD2 4.33Å; Y534-L587 HydrophobicContact CE1-CD2 3.46Å; Y534-L587 VanDerWaalsContact CE1-CD2 3.46Å; Y534-L587 HydrophobicContact CE1-CG 3.75Å; Y534-L587 HydrophobicContact CE2-CD2 3.87Å; Y534-L587 HydrophobicContact CG-CD2 4.35Å; Y534-L653 WeakPolarHBondContact O-CA 3.39Å; Y534-E654 PolarHBondContact N-O 3.44Å; Y534-E654 PolarHBondContact O-N 2.78Å; Y534-Q656 HydrophobicContact CD2-CG 4.17Å; Y534-Q656 HydrophobicContact CE2-CG 3.94Å
535	I	76.4	Confident	63.3	Low	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.4	159.7	-172.5	167.8	0	0	0	108.3	I473 R585 E586 W588 F605 V651	I473-I535 HydrophobicContact CD1-CD1 3.97Å; I535-R585 WeakPolarHBondContact O-CA 3.31Å; I535-E586 HydrophobicContact CG2-CB 4.11Å; I535-E586 PolarHBondContact N-O 3.1Å; I535-E586 PolarHBondContact O-N 3.39Å; I535-W588 HydrophobicContact CB-CE3 4.13Å; I535-W588 HydrophobicContact CD1-CZ3 4.15Å; I535-F605 HydrophobicContact CD1-CZ 4.3Å; I535-V651 HydrophobicContact CD1-CG1 3.94Å; I535-V651 HydrophobicContact CG1-CG1 4.08Å
536	V	78.1	Confident	61.9	Low	3 Å²	3	50.7 Å²	50.7	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.5	179.2	-177.9	0	0	0	0	108.1	K538 T583 Y584 R585 Q652 E654	V536-K538 HydrophobicContact CG1-CG 4.2Å; V536-T583 HydrophobicContact CG1-CG2 3.72Å; V536-Y584 CarbonylContact C-O 3.59Å; V536-Y584 VanDerWaalsContact CA-O 3.31Å; V536-Y584 WeakPolarHBondContact CA-O 3.23Å; V536-R585 HydrophobicContact CG2-CB 4.48Å; V536-R585 HydrophobicContact CG2-CG 4.07Å; V536-Q652 HydrophobicContact CB-CB 4.31Å; V536-Q652 PolarHBondContact N-O 3.36Å; V536-Q652 PolarHBondContact O-N 3.41Å; V536-E654 HydrophobicContact CG2-CB 3.59Å; V536-E654 VanDerWaalsContact CG2-OE2 3.3Å; V536-E654 WeakPolarHBondContact CG2-OE2 3.41Å
537	I	73.9	Confident	60.2	Low	3 Å²	3	58.3 Å²	58.3	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.6	176.4	-57.7	177.7	0	0	0	107.3	L469 V471 T583 Y584 F605 V649 D650 V651	L469-I537 HydrophobicContact CD2-CD1 3.9Å; L469-I537 HydrophobicContact CD2-CG2 3.87Å; V471-I537 HydrophobicContact CG2-CD1 4Å; I537-T583 CarbonylContact O-C 3.56Å; I537-T583 VanDerWaalsContact O-CA 3.32Å; I537-T583 WeakPolarHBondContact O-CA 3.45Å; I537-Y584 PolarHBondContact N-O 3.29Å; I537-Y584 PolarHBondContact O-N 2.9Å; I537-F605 HydrophobicContact CD1-CD1 4.11Å; I537-F605 HydrophobicContact CD1-CD2 3.32Å; I537-F605 HydrophobicContact CD1-CE1 4.04Å; I537-F605 HydrophobicContact CD1-CE2 3.2Å; I537-F605 HydrophobicContact CD1-CG 3.76Å; I537-F605 HydrophobicContact CD1-CZ 3.56Å; I537-V649 HydrophobicContact CG2-CG1 3.81Å; I537-D650 WeakPolarHBondContact CA-O 3.45Å; I537-V651 HydrophobicContact CG1-CG1 4.45Å; I537-V651 HydrophobicContact CG1-CG2 4.35Å
538	K	74.6	Confident	58.3	Low	38 Å²	38	60.9 Å²	60.9	17%	0.165	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.9	176.7	-69.5	178.4	178	164.2	0	109.2	V536 Y582 T583 V649 D650	V536-K538 HydrophobicContact CG1-CG 4.2Å; K538-Y582 WeakPolarHBondContact CA-O 3.38Å; K538-T583 HydrophobicContact CG-CG2 4.15Å; K538-V649 CarbonylContact O-C 3.59Å; K538-V649 WeakPolarHBondContact O-CA 3.28Å; K538-D650 HydrophobicContact CB-CB 4.42Å; K538-D650 PolarHBondContact N-O 3.03Å; K538-D650 PolarHBondContact O-N 3.36Å
539	I	66.2	Low	56.3	Low	9 Å²	9	65.6 Å²	65.6	5%	0.046	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.3	172.6	-52.3	-177.5	0	0	0	106.8	V581 Y582 I607 L647 R648 V649	I539-V581 PolarHBondContact O-N 2.83Å; I539-Y582 HydrophobicContact CD1-CD1 3.85Å; I539-Y582 HydrophobicContact CG1-CD1 4.27Å; I539-Y582 PolarHBondContact N-O 3.33Å; I539-Y582 PolarHBondContact O-N 3.38Å; I539-I607 HydrophobicContact CD1-CD1 3.64Å; I539-L647 HydrophobicContact CG2-CD2 3.98Å; I539-R648 WeakPolarHBondContact CA-O 3.46Å; I539-V649 HydrophobicContact CG1-CG1 4.43Å; I539-V649 HydrophobicContact CG1-CG2 4.25Å; I539-V649 HydrophobicContact CG2-CG2 4.46Å
540	E	63.6	Low	54.2	Low	45 Å²	45	70.3 Å²	70.3	21%	0.21	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.2	-176.1	-61.4	-177.1	-179.3	0	0	110.1	V542 S579 L580 R648	E540-V542 HydrophobicContact CB-CG2 4.47Å; E540-S579 CarbonylContact C-O 3.04Å; E540-S579 WeakPolarHBondContact CA-O 3.44Å; E540-L580 HydrophobicContact CG-CG 4.21Å; E540-L580 WeakPolarHBondContact OE1-CD1 3.42Å; E540-R648 PolarHBondContact N-O 3.23Å; E540-R648 PolarHBondContact O-N 3.05Å
541	A	55	Low	52	Low	20 Å²	20	75.2 Å²	75.2	17%	0.165	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	118.6	168.2	0	0	0	0	0	108.7	S579 V581 F642 L647	A541-S579 PolarHBondContact N-O 2.87Å; A541-S579 WeakPolarHBondContact O-CB 3.13Å; A541-S579 PolarHBondContact O-OG 2.59Å; A541-V581 HydrophobicContact CB-CG2 4.2Å; A541-F642 HydrophobicContact CB-CE1 4.01Å; A541-L647 HydrophobicContact CB-CD2 4.48Å
542	V	50.1	Low	49.6	Very low	49 Å²	49	76.2 Å²	76.2	30%	0.297	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.3	-178.9	-177.8	0	0	0	0	109	E540 T544 G645 T646 R648	E540-V542 HydrophobicContact CB-CG2 4.47Å; V542-T544 PolarHBondContact O-N 2.71Å; V542-G645 CarbonylContact O-C 3.35Å; V542-G645 WeakPolarHBondContact O-CA 3.35Å; V542-T646 PolarHBondContact N-O 2.49Å; V542-T646 PolarHBondContact O-N 2.98Å; V542-R648 HydrophobicContact CB-CB 4.47Å; V542-R648 HydrophobicContact CG2-CB 3.63Å; V542-R648 HydrophobicContact CG2-CG 4.45Å
543	R	47	Very low	47.1	Very low	169 Å²	169	78.6 Å²	78.6	64%	0.638	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	120.9	170.3	-144.9	176.4	-176.1	-176.1	-0.4	108.1	D545	R543-D545 PolarHBondContact O-N 2.85Å; R543-D545 VanDerWaalsContact O-N 3.09Å
544	T	40.3	Very low	44.6	Very low	62 Å²	62	84 Å²	84	38%	0.38	46%	0.463	S	S	.	.			trans	-75.9	97	168.3	58.3	0	0	0	0	106.5	V542 Y546 G644 T646	V542-T544 PolarHBondContact O-N 2.71Å; T544-Y546 PolarHBondContact O-N 2.76Å; T544-G644 PolarHBondContact N-O 2.86Å; T544-G644 PolarHBondContact OG1-O 3.49Å; T544-T646 HydrophobicContact CG2-CG2 3.9Å
545	D	33.5	Very low	42.1	Very low	136 Å²	136	86.9 Å²	86.9	73%	0.727	49%	0.489	S	S	*	.			trans	-57.8	108.5	162.3	-70.5	-27.2	0	0	0	105.8	R543 E547	R543-D545 PolarHBondContact O-N 2.85Å; R543-D545 VanDerWaalsContact O-N 3.09Å; D545-E547 VanDerWaalsContact C-N 3.33Å; D545-E547 PolarHBondContact O-N 3.08Å
546	Y	26.4	Very low	39.5	Very low	207 Å²	207	91.5 Å²	91.5	81%	0.812	52%	0.521	S	S	*	.			trans	-55.8	107.9	166.5	-101.3	-94	0	0	0	105.4	T544 S548	T544-Y546 PolarHBondContact O-N 2.76Å; Y546-S548 PolarHBondContact O-N 3.05Å
547	E	23.7	Very low	36.9	Very low	168 Å²	168	98.1 Å²	98.1	79%	0.785	56%	0.564	S	S	*	*			trans	-54.3	95.5	158.4	-74.4	-171.3	164.7	0	0	105.7	D545 S549	D545-E547 VanDerWaalsContact C-N 3.33Å; D545-E547 PolarHBondContact O-N 3.08Å; E547-S549 PolarHBondContact O-N 3.19Å; E547-S549 PolarHBondContact O-OG 3.13Å
548	S	22.6	Very low	34.4	Very low	112 Å²	112	103 Å²	103	78%	0.783	60%	0.599	S	S	*	*			trans	-64.2	69.4	159.8	52.6	0	0	0	0	107.1	Y546 S550	Y546-S548 PolarHBondContact O-N 3.05Å; S548-S550 PolarHBondContact O-N 3.42Å; S548-S550 VanDerWaalsContact O-N 3.13Å
549	S	22.1	Very low	31.9	Very low	99 Å²	99	106.8 Å²	106.8	69%	0.692	63%	0.63	S	S	*	*			trans	-82.7	46.5	175.5	49.6	0	0	0	0	109.4	E547	E547-S549 PolarHBondContact O-N 3.19Å; E547-S549 PolarHBondContact O-OG 3.13Å
550	S	21.1	Very low	29.8	Very low	98 Å²	98	111.3 Å²	111.3	69%	0.685	66%	0.662	S	S	*	*			trans	-169.4	60	169.7	65.2	0	0	0	0	112.8	S548	S548-S550 PolarHBondContact O-N 3.42Å; S548-S550 VanDerWaalsContact O-N 3.13Å
551	L	22.5	Very low	27.9	Very low	159 Å²	159	116.9 Å²	116.9	83%	0.832	69%	0.694	S	S	*	*			trans	-146.3	61.4	151	-99.8	147.2	0	0	0	107.8	S553	L551-S553 PolarHBondContact O-N 2.81Å
552	T	20.6	Very low	26.4	Very low	138 Å²	138	124.8 Å²	124.8	85%	0.847	73%	0.729	S	S	*	*			trans	-62.9	73.9	153.1	47.7	0	0	0	0	108.6	S554	T552-S554 VanDerWaalsContact C-N 3.26Å; T552-S554 PolarHBondContact O-N 3.44Å
553	S	21.7	Very low	25.1	Very low	91 Å²	91	131.8 Å²	131.8	64%	0.636	76%	0.756	S	S	*	*			trans	-84.2	85.7	157.5	53.7	0	0	0	0	107.1	L551 S555	L551-S553 PolarHBondContact O-N 2.81Å; S553-S555 PolarHBondContact O-N 2.88Å; S553-S555 VanDerWaalsContact O-N 3.08Å
554	S	20.8	Very low	24	Very low	118 Å²	118	130.7 Å²	130.7	83%	0.825	76%	0.762	S	S	*	*			trans	-51.9	103	159.1	51.5	0	0	0	0	110.1	T552	T552-S554 VanDerWaalsContact C-N 3.26Å; T552-S554 PolarHBondContact O-N 3.44Å
555	S	23.7	Very low	23.3	Very low	100 Å²	100	135.7 Å²	135.7	70%	0.699	79%	0.786	S	S	*	*			trans	-138.7	91.1	157.7	60	0	0	0	0	108.8	S553	S553-S555 PolarHBondContact O-N 2.88Å; S553-S555 VanDerWaalsContact O-N 3.08Å
556	S	22.8	Very low	22.8	Very low	98 Å²	98	136.8 Å²	136.8	69%	0.685	79%	0.79	S	S	*	*			trans	21.4	127.1	143.9	42.5	0	0	0	0	119.1	S558	S556-S558 PolarHBondContact O-N 3.44Å
557	P	22.4	Very low	22.7	Very low	142 Å²	142	132.6 Å²	132.6	92%	0.922	79%	0.786	S	S	*	*			trans	-75.2	95.6	175.2	31.5	-31.3	0	0	0	110.3
558	S	22.4	Very low	22.7	Very low	106 Å²	106	131.3 Å²	131.3	74%	0.741	79%	0.785	S	S	*	*			trans	-92.1	112	168.8	55.6	0	0	0	0	110	S556 S560	S556-S558 PolarHBondContact O-N 3.44Å; S558-S560 PolarHBondContact O-N 3.42Å
559	S	20.8	Very low	22.9	Very low	117 Å²	117	130.7 Å²	130.7	82%	0.818	78%	0.776	S	S	*	*			trans	-52.3	117.5	165.7	53.1	0	0	0	0	112.7
560	S	23	Very low	23	Very low	104 Å²	104	132.5 Å²	132.5	73%	0.727	78%	0.778	S	S	*	*			trans	176.2	115.9	141.1	54.1	0	0	0	0	111.3	S558 M562	S558-S560 PolarHBondContact O-N 3.42Å; S560-M562 PolarHBondContact O-N 3.04Å
561	N	23	Very low	23.1	Very low	162 Å²	162	134.6 Å²	134.6	87%	0.866	78%	0.782	S	S	*	*			trans	27.8	85.3	145.7	-63.7	-12.3	0	0	0	118.6
562	M	23.7	Very low	23.1	Very low	185 Å²	185	134.1 Å²	134.1	91%	0.911	78%	0.78	S	S	*	*			trans	-144.4	75	141.6	-89.1	-161.1	169.9	0	0	108	S560	S560-M562 PolarHBondContact O-N 3.04Å
563	K	22.7	Very low	23.3	Very low	196 Å²	196	133 Å²	133	85%	0.852	77%	0.773	S	S	*	*			trans	-70	139.2	144.2	-76.6	-179.6	173.4	-178.1	0	105.2
564	D	24.9	Very low	23.5	Very low	146 Å²	146	133.2 Å²	133.2	78%	0.781	77%	0.77	S	S	*	*	S	Bend	trans	100.6	61.8	179.9	-48	-17.1	0	0	0	114.5
565	L	24.4	Very low	23.7	Very low	167 Å²	167	134.5 Å²	134.5	87%	0.874	77%	0.768	S	S	*	*	S	Bend	trans	-173.9	30.7	138.9	-128	83.9	0	0	0	116.4
566	I	22.6	Very low	23.9	Very low	159 Å²	159	134.7 Å²	134.7	82%	0.815	76%	0.761	S	S	*	*			trans	-120.6	86.5	164.5	-55.1	178	0	0	0	106.5	D568	I566-D568 PolarHBondContact O-N 3.07Å
567	T	24.3	Very low	24.2	Very low	119 Å²	119	137.4 Å²	137.4	73%	0.73	76%	0.762	S	S	*	*			trans	-67.6	116.1	163.8	38.6	0	0	0	0	107.5	V569	T567-V569 PolarHBondContact O-N 3.28Å
568	D	25.1	Very low	24.9	Very low	141 Å²	141	139 Å²	139	75%	0.754	76%	0.757	S	S	*	*			trans	-60.7	57.8	174.9	-81.3	-41.2	0	0	0	112.8	I566	I566-D568 PolarHBondContact O-N 3.07Å
569	V	25.8	Very low	25.9	Very low	99 Å²	99	136.6 Å²	136.6	60%	0.6	74%	0.74	S	S	*	*			trans	-95.3	-17.9	-176.8	177.3	0	0	0	0	113.4	T567	T567-V569 PolarHBondContact O-N 3.28Å
570	D	24.7	Very low	27	Very low	138 Å²	138	135.2 Å²	135.2	74%	0.738	72%	0.723	S	S	*	*	S	Bend	trans	-124.7	21	-171.2	-70.9	-34	0	0	0	116.5	N572	D570-N572 VanDerWaalsContact C-N 3.27Å
571	N	22.8	Very low	28.6	Very low	142 Å²	142	132.7 Å²	132.7	76%	0.759	70%	0.703	S	S	*	*			trans	-87.7	8.2	166.6	-81	-18.2	0	0	0	113.6	V573	N571-V573 PolarHBondContact O-N 3.46Å
572	N	21.9	Very low	30.4	Very low	148 Å²	148	127 Å²	127	79%	0.791	67%	0.67	S	S	*	*			trans	-78	34.3	167	-78.3	-13.3	0	0	0	112.1	D570 V574	D570-N572 VanDerWaalsContact C-N 3.27Å; N572-V574 WeakPolarHBondContact O-CG2 3.37Å; N572-V574 PolarHBondContact O-N 3.43Å
573	V	25.1	Very low	32.6	Very low	115 Å²	115	121.1 Å²	121.1	70%	0.697	65%	0.645	S	S	*	*			trans	-72.7	79.6	159.7	-175.6	0	0	0	0	106.3	N571 N575	N571-V573 PolarHBondContact O-N 3.46Å; V573-N575 PolarHBondContact O-N 3.44Å
574	V	25.9	Very low	35	Very low	95 Å²	95	115.3 Å²	115.3	58%	0.576	62%	0.618	S	S	*	*			trans	-1.2	92.2	151.1	-171.9	0	0	0	0	111.5	N572 N576	N572-V574 WeakPolarHBondContact O-CG2 3.37Å; N572-V574 PolarHBondContact O-N 3.43Å; V574-N576 HydrophobicContact CG1-CB 3.85Å; V574-N576 WeakPolarHBondContact CG1-OD1 3.38Å; V574-N576 PolarHBondContact O-N 3.11Å
575	N	25.2	Very low	37.3	Very low	146 Å²	146	113.5 Å²	113.5	78%	0.781	60%	0.6	S	S	*	*			trans	-62.8	75.5	154.5	-83.5	-30.4	0	0	0	106.3	V573 H577	V573-N575 PolarHBondContact O-N 3.44Å; N575-H577 PolarHBondContact O-N 3.28Å
576	N	27.8	Very low	39.7	Very low	104 Å²	104	107.1 Å²	107.1	56%	0.556	57%	0.566	S	S	*	*			trans	-69.4	81.7	172.2	-100.2	-4.4	0	0	0	106.9	V574 H578	V574-N576 HydrophobicContact CG1-CB 3.85Å; V574-N576 WeakPolarHBondContact CG1-OD1 3.38Å; V574-N576 PolarHBondContact O-N 3.11Å; N576-H578 PolarHBondContact O-N 3.23Å; N576-H578 VanDerWaalsContact O-N 3.14Å
577	H	30.1	Very low	42.1	Very low	155 Å²	155	102 Å²	102	72%	0.718	54%	0.54	S	S	*	.			trans	-50.8	109	148.3	-68.2	-42.6	0	0	0	106.9	N575	N575-H577 PolarHBondContact O-N 3.28Å
578	H	35.9	Very low	44.3	Very low	174 Å²	174	96.4 Å²	96.4	81%	0.806	51%	0.506	S	S	*	.			trans	164.3	42.1	148.3	-77	-47.5	0	0	0	110.8	N576 L580	N576-H578 PolarHBondContact O-N 3.23Å; N576-H578 VanDerWaalsContact O-N 3.14Å; H578-L580 PolarHBondContact O-N 3.41Å; H578-L580 VanDerWaalsContact O-N 3.13Å
579	S	43.5	Very low	46.3	Very low	56 Å²	56	91.8 Å²	91.8	39%	0.392	48%	0.479	S	S	.	.			trans	-83.9	29	172.2	61.7	0	0	0	0	113.2	E540 A541 V581	E540-S579 CarbonylContact C-O 3.04Å; E540-S579 WeakPolarHBondContact CA-O 3.44Å; A541-S579 PolarHBondContact N-O 2.87Å; A541-S579 WeakPolarHBondContact O-CB 3.13Å; A541-S579 PolarHBondContact O-OG 2.59Å; S579-V581 WeakPolarHBondContact O-CG2 2.96Å; S579-V581 PolarHBondContact O-N 3.22Å
580	L	43.7	Very low	48.1	Very low	89 Å²	89	90.1 Å²	90.1	47%	0.466	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	96.7	-178.8	-155.6	140.9	0	0	0	108.4	E540 H578 T583	E540-L580 HydrophobicContact CG-CG 4.21Å; E540-L580 WeakPolarHBondContact OE1-CD1 3.42Å; H578-L580 PolarHBondContact O-N 3.41Å; H578-L580 VanDerWaalsContact O-N 3.13Å; L580-T583 VanDerWaalsContact CD2-OG1 3.25Å; L580-T583 WeakPolarHBondContact CD2-OG1 3.23Å
581	V	57.1	Low	49.3	Very low	51 Å²	51	85 Å²	85	31%	0.309	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-21.7	-162	-138.4	0	0	0	0	112.9	I539 A541 S579 I615	I539-V581 PolarHBondContact O-N 2.83Å; A541-V581 HydrophobicContact CB-CG2 4.2Å; S579-V581 WeakPolarHBondContact O-CG2 2.96Å; S579-V581 PolarHBondContact O-N 3.22Å; V581-I615 HydrophobicContact CB-CB 4.36Å; V581-I615 HydrophobicContact CB-CG1 3.84Å; V581-I615 HydrophobicContact CB-CG2 4.08Å; V581-I615 HydrophobicContact CG1-CB 3.72Å; V581-I615 HydrophobicContact CG1-CG1 3.45Å; V581-I615 VanDerWaalsContact CG1-CG1 3.45Å; V581-I615 HydrophobicContact CG1-CG2 3.81Å; V581-I615 HydrophobicContact CG2-CG2 4.31Å
582	Y	61.5	Low	50.5	Low	41 Å²	41	84 Å²	84	16%	0.161	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	134.9	172.8	-178	-111.3	0	0	0	112	K538 I539 N611	K538-Y582 WeakPolarHBondContact CA-O 3.38Å; I539-Y582 HydrophobicContact CD1-CD1 3.85Å; I539-Y582 HydrophobicContact CG1-CD1 4.27Å; I539-Y582 PolarHBondContact N-O 3.33Å; I539-Y582 PolarHBondContact O-N 3.38Å; Y582-N611 WeakPolarHBondContact CE2-ND2 3.24Å
583	T	70	Confident	51.5	Low	63 Å²	63	80.7 Å²	80.7	39%	0.387	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.1	169.2	-59.4	0	0	0	0	110.1	V536 I537 K538 L580	V536-T583 HydrophobicContact CG1-CG2 3.72Å; I537-T583 CarbonylContact O-C 3.56Å; I537-T583 VanDerWaalsContact O-CA 3.32Å; I537-T583 WeakPolarHBondContact O-CA 3.45Å; K538-T583 HydrophobicContact CG-CG2 4.15Å; L580-T583 VanDerWaalsContact CD2-OG1 3.25Å; L580-T583 WeakPolarHBondContact CD2-OG1 3.23Å
584	Y	71.9	Confident	52.5	Low	73 Å²	73	80.3 Å²	80.3	29%	0.286	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.1	169.8	179.7	-90.6	0	0	0	109.9	V536 I537 E586 F605	V536-Y584 CarbonylContact C-O 3.59Å; V536-Y584 VanDerWaalsContact CA-O 3.31Å; V536-Y584 WeakPolarHBondContact CA-O 3.23Å; I537-Y584 PolarHBondContact N-O 3.29Å; I537-Y584 PolarHBondContact O-N 2.9Å; Y584-E586 HydrophobicContact CE1-CB 3.65Å; Y584-E586 PolarHBondContact OH-OE2 3.19Å; Y584-F605 AromaticContact CD1-CD1 3.6Å; Y584-F605 HydrophobicContact CD1-CD1 3.6Å; Y584-F605 AromaticContact CD1-CE1 3.76Å; Y584-F605 HydrophobicContact CD1-CE1 3.76Å; Y584-F605 HydrophobicContact CD1-CG 4.5Å; Y584-F605 AromaticContact CE1-CD1 3.25Å; Y584-F605 HydrophobicContact CE1-CD1 3.25Å; Y584-F605 AromaticContact CE1-CE1 3.24Å; Y584-F605 HydrophobicContact CE1-CE1 3.24Å; Y584-F605 HydrophobicContact CE1-CG 4.46Å; Y584-F605 HydrophobicContact CE1-CZ 4.42Å; Y584-F605 HydrophobicContact CG-CD1 4.4Å; Y584-F605 AromaticContact CZ-CD1 3.77Å
585	R	73.8	Confident	53.3	Low	108 Å²	108	80.1 Å²	80.1	41%	0.408	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	127.1	-175.4	-179	170.5	-169.7	-107.7	-0.9	110.4	Y534 I535 V536 E654	Y534-R585 HydrophobicContact CD1-CG 3.99Å; I535-R585 WeakPolarHBondContact O-CA 3.31Å; V536-R585 HydrophobicContact CG2-CB 4.48Å; V536-R585 HydrophobicContact CG2-CG 4.07Å; R585-E654 IonicContact CZ-OE1 2.91Å; R585-E654 IonicContact CZ-OE2 3.29Å; R585-E654 IonicContact NE-OE1 2.68Å; R585-E654 IonicContact NE-OE2 3.84Å; R585-E654 PolarHBondContact NE-OE2 3.19Å; R585-E654 IonicContact NH2-OE1 3.98Å; R585-E654 PolarHBondContact NH2-OE1 2.74Å; R585-E654 IonicContact NH2-OE2 2.72Å; R585-E654 PolarHBondContact NH2-OE2 3.16Å
586	E	75.6	Confident	54.2	Low	34 Å²	34	81.4 Å²	81.4	16%	0.159	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	153	180	-162.5	-159.6	159.7	0	0	110.7	Y534 I535 Y584 S590 S591	Y534-E586 CarbonylContact C-O 3.6Å; Y534-E586 WeakPolarHBondContact CA-O 3.31Å; Y534-E586 WeakPolarHBondContact CB-O 3.34Å; I535-E586 HydrophobicContact CG2-CB 4.11Å; I535-E586 PolarHBondContact N-O 3.1Å; I535-E586 PolarHBondContact O-N 3.39Å; Y584-E586 HydrophobicContact CE1-CB 3.65Å; Y584-E586 PolarHBondContact OH-OE2 3.19Å; E586-S590 WeakPolarHBondContact CG-OG 3.42Å; E586-S590 PolarHBondContact OE1-OG 3.18Å; E586-S591 VanDerWaalsContact OE1-CB 3.32Å; E586-S591 WeakPolarHBondContact OE1-CB 3.3Å; E586-S591 PolarHBondContact OE1-OG 3.25Å
587	L	71.4	Confident	55.2	Low	51 Å²	51	79.3 Å²	79.3	27%	0.267	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	138.3	171.1	-76.3	168.1	0	0	0	110.3	Y534 F589 S590	Y534-L587 HydrophobicContact CD1-CD2 3.94Å; Y534-L587 HydrophobicContact CD1-CG 4.21Å; Y534-L587 HydrophobicContact CD2-CD2 4.33Å; Y534-L587 HydrophobicContact CE1-CD2 3.46Å; Y534-L587 VanDerWaalsContact CE1-CD2 3.46Å; Y534-L587 HydrophobicContact CE1-CG 3.75Å; Y534-L587 HydrophobicContact CE2-CD2 3.87Å; Y534-L587 HydrophobicContact CG-CD2 4.35Å; L587-F589 PolarHBondContact O-N 3.47Å; L587-F589 VanDerWaalsContact O-N 3.12Å; L587-S590 PolarHBondContact O-N 3.26Å; L587-S590 PolarHBondContact O-OG 3.26Å
588	W	70.9	Confident	56.1	Low	2 Å²	2	77.5 Å²	77.5	1%	0.008	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-25.9	-178.4	176.6	-106.2	0	0	0	113.2	I473 L510 L533 I535 K601 R603 L653	I473-W588 HydrophobicContact CB-CH2 4.48Å; I473-W588 HydrophobicContact CD1-CH2 3.59Å; I473-W588 HydrophobicContact CD1-CZ3 3.53Å; I473-W588 HydrophobicContact CG2-CH2 4.26Å; L510-W588 HydrophobicContact CB-CZ2 4.28Å; L510-W588 HydrophobicContact CD2-CH2 4.04Å; L510-W588 HydrophobicContact CD2-CZ2 3.4Å; L510-W588 HydrophobicContact CG-CZ2 4.43Å; L510-W588 PolarHBondContact O-NE1 2.86Å; L533-W588 HydrophobicContact CB-CB 4.16Å; L533-W588 HydrophobicContact CD2-CB 3.83Å; L533-W588 VanDerWaalsContact CD2-CD1 3.49Å; L533-W588 HydrophobicContact CD2-CD2 4.41Å; L533-W588 HydrophobicContact CD2-CG 3.65Å; L533-W588 HydrophobicContact CG-CB 3.66Å; L533-W588 HydrophobicContact CG-CG 4.01Å; L533-W588 WeakPolarHBondContact O-CB 3.25Å; L533-W588 PolarHBondContact O-N 2.95Å; I535-W588 HydrophobicContact CB-CE3 4.13Å; I535-W588 HydrophobicContact CD1-CZ3 4.15Å; W588-K601 HydrophobicContact CH2-CD 4.04Å; W588-K601 HydrophobicContact CZ2-CD 3.43Å; W588-K601 VanDerWaalsContact CZ2-CD 3.43Å; W588-R603 PolarHBondContact O-NH2 3.07Å; W588-L653 HydrophobicContact CD2-CD2 4.32Å; W588-L653 HydrophobicContact CE3-CD2 3.64Å; W588-L653 HydrophobicContact CZ3-CD2 3.77Å
589	F	67.7	Low	56.8	Low	43 Å²	43	71.4 Å²	71.4	19%	0.189	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	6	-176.6	-63.9	-78.6	0	0	0	114.9	I509 K512 L529 E530 L533 L587	I509-F589 WeakPolarHBondContact O-CZ 3.45Å; K512-F589 HydrophobicContact CB-CE1 4.24Å; L529-F589 HydrophobicContact CB-CE2 3.72Å; L529-F589 HydrophobicContact CB-CZ 4.47Å; E530-F589 HydrophobicContact CB-CD2 4.41Å; E530-F589 HydrophobicContact CG-CB 3.95Å; E530-F589 HydrophobicContact CG-CD2 3.91Å; E530-F589 HydrophobicContact CG-CG 3.96Å; L533-F589 HydrophobicContact CD2-CE2 4.21Å; L587-F589 PolarHBondContact O-N 3.47Å; L587-F589 VanDerWaalsContact O-N 3.12Å
590	S	62.9	Low	57.5	Low	64 Å²	64	69.9 Å²	69.9	45%	0.448	38%	0.377	S	S	.	.	S	Bend	trans	-73.2	-31	-172.2	39.1	0	0	0	0	115.8	E586 L587	E586-S590 WeakPolarHBondContact CG-OG 3.42Å; E586-S590 PolarHBondContact OE1-OG 3.18Å; L587-S590 PolarHBondContact O-N 3.26Å; L587-S590 PolarHBondContact O-OG 3.26Å
591	S	51	Low	58.3	Low	32 Å²	32	66 Å²	66	22%	0.224	36%	0.356	C	S	.	.	S	Bend	trans	-110.8	141.6	-167	32.3	0	0	0	0	114	E586 I593 R603	E586-S591 VanDerWaalsContact OE1-CB 3.32Å; E586-S591 WeakPolarHBondContact OE1-CB 3.3Å; E586-S591 PolarHBondContact OE1-OG 3.25Å; S591-I593 PolarHBondContact O-N 3.3Å; S591-R603 PolarHBondContact O-NH1 3.25Å; S591-R603 PolarHBondContact OG-NH1 3.29Å; S591-R603 PolarHBondContact OG-NH2 3.09Å
592	P	47.2	Very low	58.4	Low	119 Å²	119	65.3 Å²	65.3	77%	0.773	35%	0.35	S	S	*	.			trans	-62.5	122.7	-178.6	25	-31.9	0	0	0	110.3	I594	P592-I594 PolarHBondContact O-N 3.22Å
593	I	43.8	Very low	58.6	Low	79 Å²	79	64 Å²	64	41%	0.405	35%	0.345	S	S	.	.			trans	-68.3	120.1	-178	-58.3	167.8	0	0	0	107.6	S591 N595	S591-I593 PolarHBondContact O-N 3.3Å; I593-N595 WeakPolarHBondContact CG2-O 3.44Å; I593-N595 PolarHBondContact O-N 2.76Å
594	I	44.6	Very low	58.1	Low	108 Å²	108	67.5 Å²	67.5	55%	0.554	35%	0.351	S	S	*	.	S	Bend	trans	-74.1	-12.9	-179.6	-67.5	177.1	0	0	0	112.4	P592	P592-I594 PolarHBondContact O-N 3.22Å
595	N	44.1	Very low	57.8	Low	91 Å²	91	64.5 Å²	64.5	49%	0.487	34%	0.34	S	S	.	.			trans	-134	119.6	177	-83.7	-23.7	0	0	0	113.9	I593 S597	I593-N595 WeakPolarHBondContact CG2-O 3.44Å; I593-N595 PolarHBondContact O-N 2.76Å; N595-S597 VanDerWaalsContact C-N 3.33Å; N595-S597 PolarHBondContact O-N 3.39Å; N595-S597 VanDerWaalsContact O-N 3.1Å
596	N	43.1	Very low	56.9	Low	172 Å²	172	64.2 Å²	64.2	92%	0.92	35%	0.345	S	S	*	.			trans	-77.5	67.2	173.4	-75.6	-24	0	0	0	111.9
597	S	48.7	Very low	56	Low	61 Å²	61	63.1 Å²	63.1	43%	0.427	34%	0.34	S	S	.	.			trans	-119.9	132.8	157.4	70.5	0	0	0	0	109	N595 N599 S600	N595-S597 VanDerWaalsContact C-N 3.33Å; N595-S597 PolarHBondContact O-N 3.39Å; N595-S597 VanDerWaalsContact O-N 3.1Å; S597-N599 PolarHBondContact O-N 2.82Å; S597-S600 PolarHBondContact O-N 3.13Å; S597-S600 PolarHBondContact OG-OG 3.48Å
598	D	50.3	Low	55	Low	117 Å²	117	63.2 Å²	63.2	63%	0.626	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-9.9	-172.3	-73.8	-46.2	0	0	0	114.1	F511	F511-D598 WeakPolarHBondContact CD1-O 3.36Å; F511-D598 VanDerWaalsContact CE1-O 3.23Å; F511-D598 WeakPolarHBondContact CE1-O 3.34Å; F511-D598 WeakPolarHBondContact CE2-O 2.85Å; F511-D598 VanDerWaalsContact CZ-O 3.3Å; F511-D598 WeakPolarHBondContact CZ-O 3.43Å
599	N	50.9	Low	53.9	Low	46 Å²	46	64.8 Å²	64.8	25%	0.246	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	3	-174.1	-65.2	-12.8	0	0	0	114.8	T474 V475 N477 S597	T474-N599 WeakPolarHBondContact CA-O 3.36Å; V475-N599 PolarHBondContact N-O 3Å; N477-N599 PolarHBondContact OD1-ND2 3.41Å; S597-N599 PolarHBondContact O-N 2.82Å
600	S	56.8	Low	52.9	Low	23 Å²	23	67.4 Å²	67.4	16%	0.161	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.6	179.2	74.4	0	0	0	0	114	I473 S597	I473-S600 CarbonylContact O-C 3.53Å; I473-S600 WeakPolarHBondContact O-CA 3.21Å; S597-S600 PolarHBondContact O-N 3.13Å; S597-S600 PolarHBondContact OG-OG 3.48Å
601	K	61	Low	52.1	Low	8 Å²	8	67 Å²	67	4%	0.035	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	108.3	173.9	-88	-178.3	166.2	-178.3	0	109.4	I473 L510 F511 W588	I473-K601 PolarHBondContact N-O 3.31Å; I473-K601 PolarHBondContact O-N 2.8Å; L510-K601 WeakPolarHBondContact O-CE 3.41Å; L510-K601 PolarHBondContact O-NZ 2.74Å; F511-K601 HydrophobicContact CE1-CG 4.47Å; W588-K601 HydrophobicContact CH2-CD 4.04Å; W588-K601 HydrophobicContact CZ2-CD 3.43Å; W588-K601 VanDerWaalsContact CZ2-CD 3.43Å
602	L	60.1	Low	52	Low	36 Å²	36	68.7 Å²	68.7	19%	0.188	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.5	173.1	-167.8	122.6	0	0	0	110.2	I470 D472 R604	I470-L602 HydrophobicContact CG2-CD1 3.94Å; I470-L602 HydrophobicContact CG2-CD2 4.05Å; I470-L602 HydrophobicContact CG2-CG 3.92Å; D472-L602 HydrophobicContact CB-CD1 4.17Å; L602-R604 HydrophobicContact CD2-CG 4.03Å
603	R	64.1	Low	51.7	Low	13 Å²	13	65.8 Å²	65.8	5%	0.049	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.7	175.6	-70.4	-76.7	-172.9	-135.3	7.3	110.1	I470 V471 W588 S591 F605	I470-R603 CarbonylContact C-O 3.46Å; I470-R603 WeakPolarHBondContact CA-O 3.37Å; V471-R603 PolarHBondContact N-O 3.49Å; V471-R603 PolarHBondContact O-N 2.76Å; W588-R603 PolarHBondContact O-NH2 3.07Å; S591-R603 PolarHBondContact O-NH1 3.25Å; S591-R603 PolarHBondContact OG-NH1 3.29Å; S591-R603 PolarHBondContact OG-NH2 3.09Å; R603-F605 HydrophobicContact CB-CD2 4.33Å; R603-F605 HydrophobicContact CB-CE1 4.37Å; R603-F605 HydrophobicContact CB-CE2 3.34Å; R603-F605 HydrophobicContact CB-CZ 3.39Å; R603-F605 HydrophobicContact CG-CE2 4.35Å; R603-F605 HydrophobicContact CG-CZ 3.99Å
604	R	61	Low	51.6	Low	138 Å²	138	68.4 Å²	68.4	52%	0.521	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.1	-179.7	-67.6	173.4	175.4	-158.9	6.1	108.4	E468 I470 L602	E468-R604 WeakPolarHBondContact OE1-CB 3.48Å; E468-R604 WeakPolarHBondContact OE1-CD 3.45Å; E468-R604 WeakPolarHBondContact OE1-CG 3.43Å; E468-R604 IonicContact OE1-NE 2.64Å; E468-R604 IonicContact OE1-NH1 3.58Å; I470-R604 HydrophobicContact CG1-CG 4.3Å; I470-R604 HydrophobicContact CG2-CG 4.39Å; L602-R604 HydrophobicContact CD2-CG 4.03Å
605	F	64.1	Low	51.5	Low	9 Å²	9	64.3 Å²	64.3	4%	0.039	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124	-176.5	-54.9	-77.6	0	0	0	109.5	E468 L469 V471 I535 I537 Y584 R603	E468-F605 CarbonylContact C-O 3.58Å; E468-F605 WeakPolarHBondContact CA-O 3.43Å; L469-F605 HydrophobicContact CB-CB 4.38Å; L469-F605 HydrophobicContact CD2-CD2 4.24Å; L469-F605 PolarHBondContact N-O 2.89Å; L469-F605 PolarHBondContact O-N 2.92Å; V471-F605 HydrophobicContact CB-CE2 4.01Å; V471-F605 HydrophobicContact CG2-CD2 3.98Å; V471-F605 HydrophobicContact CG2-CE2 3.75Å; I535-F605 HydrophobicContact CD1-CZ 4.3Å; I537-F605 HydrophobicContact CD1-CD1 4.11Å; I537-F605 HydrophobicContact CD1-CD2 3.32Å; I537-F605 HydrophobicContact CD1-CE1 4.04Å; I537-F605 HydrophobicContact CD1-CE2 3.2Å; I537-F605 HydrophobicContact CD1-CG 3.76Å; I537-F605 HydrophobicContact CD1-CZ 3.56Å; Y584-F605 AromaticContact CD1-CD1 3.6Å; Y584-F605 HydrophobicContact CD1-CD1 3.6Å; Y584-F605 AromaticContact CD1-CE1 3.76Å; Y584-F605 HydrophobicContact CD1-CE1 3.76Å; Y584-F605 HydrophobicContact CD1-CG 4.5Å; Y584-F605 AromaticContact CE1-CD1 3.25Å; Y584-F605 HydrophobicContact CE1-CD1 3.25Å; Y584-F605 AromaticContact CE1-CE1 3.24Å; Y584-F605 HydrophobicContact CE1-CE1 3.24Å; Y584-F605 HydrophobicContact CE1-CG 4.46Å; Y584-F605 HydrophobicContact CE1-CZ 4.42Å; Y584-F605 HydrophobicContact CG-CD1 4.4Å; Y584-F605 AromaticContact CZ-CD1 3.77Å; R603-F605 HydrophobicContact CB-CD2 4.33Å; R603-F605 HydrophobicContact CB-CE1 4.37Å; R603-F605 HydrophobicContact CB-CE2 3.34Å; R603-F605 HydrophobicContact CB-CZ 3.39Å; R603-F605 HydrophobicContact CG-CE2 4.35Å; R603-F605 HydrophobicContact CG-CZ 3.99Å
606	I	56.2	Low	51.3	Low	102 Å²	102	61.8 Å²	61.8	52%	0.523	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.4	178.8	-57.6	177.7	0	0	0	107.7	P466 P608	P466-I606 HydrophobicContact CB-CG2 3.6Å; P466-I606 HydrophobicContact CG-CG2 3.94Å; I606-P608 WeakPolarHBondContact O-CD 3.33Å
607	I	56.9	Low	50.8	Low	11 Å²	11	59.5 Å²	59.5	6%	0.056	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	117.8	173.3	-56.4	173.3	0	0	0	107.5	P466 L467 L469 I539	P466-I607 WeakPolarHBondContact CB-O 3.25Å; L467-I607 HydrophobicContact CB-CB 4.44Å; L467-I607 PolarHBondContact O-N 2.78Å; L469-I607 HydrophobicContact CB-CD1 4.47Å; I539-I607 HydrophobicContact CD1-CD1 3.64Å
608	P	50.8	Low	50	Low	54 Å²	54	61 Å²	61	35%	0.351	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-59.9	149.2	-179.6	-22	32.2	0	0	0	113	I606 V610 N611	I606-P608 WeakPolarHBondContact O-CD 3.33Å; P608-V610 VanDerWaalsContact C-N 3.29Å; P608-V610 PolarHBondContact O-N 3.15Å; P608-N611 PolarHBondContact O-N 3.12Å
609	S	47.4	Very low	49	Very low	34 Å²	34	61.2 Å²	61.2	24%	0.238	31%	0.311	C	S	.	.	H	α-helix	trans	-59.6	-36.4	179.7	55.2	0	0	0	0	113.3	N611 W612	S609-N611 PolarHBondContact O-N 2.87Å; S609-W612 PolarHBondContact O-NE1 2.93Å
610	V	46	Very low	48.1	Very low	98 Å²	98	65.6 Å²	65.6	59%	0.594	33%	0.33	S	S	*	.	H	α-helix	trans	-69	-36.7	-175	-140.2	0	0	0	0	112	P608	P608-V610 VanDerWaalsContact C-N 3.29Å; P608-V610 PolarHBondContact O-N 3.15Å
611	N	46.8	Very low	46.8	Very low	55 Å²	55	69.4 Å²	69.4	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-74	-35.2	-177.4	-70.3	0.4	0	0	0	111.5	Y582 P608 S609 Q614 I615	Y582-N611 WeakPolarHBondContact CE2-ND2 3.24Å; P608-N611 PolarHBondContact O-N 3.12Å; S609-N611 PolarHBondContact O-N 2.87Å; N611-Q614 PolarHBondContact O-N 3.4Å; N611-I615 WeakPolarHBondContact O-CG1 3.44Å; N611-I615 PolarHBondContact O-N 3.07Å; N611-I615 VanDerWaalsContact O-N 3.1Å
612	W	47.4	Very low	45.2	Very low	69 Å²	69	75.2 Å²	75.2	26%	0.261	38%	0.38	S	S	.	.	H	α-helix	trans	-68.8	-38.5	-177.6	76.7	-94.3	0	0	0	112.6	S609 Q614 I615 F616	S609-W612 PolarHBondContact O-NE1 2.93Å; W612-Q614 VanDerWaalsContact C-N 3.26Å; W612-Q614 PolarHBondContact O-N 2.89Å; W612-I615 WeakPolarHBondContact O-CA 3.21Å; W612-I615 VanDerWaalsContact O-CB 3.28Å; W612-I615 WeakPolarHBondContact O-CB 3.42Å; W612-I615 PolarHBondContact O-N 3.42Å; W612-F616 AromaticContact CE3-CD2 3.91Å; W612-F616 HydrophobicContact CE3-CD2 3.91Å; W612-F616 HydrophobicContact CE3-CE2 4.15Å; W612-F616 HydrophobicContact CZ3-CD2 4.47Å; W612-F616 WeakPolarHBondContact O-CD2 3.32Å; W612-F616 PolarHBondContact O-N 3.07Å
613	L	41.4	Very low	43.6	Very low	57 Å²	57	80.7 Å²	80.7	30%	0.298	41%	0.409	S	S	.	.	H	α-helix	trans	-60.5	-40	176.4	-85.3	158.9	0	0	0	111.3	I615 F616 H617	L613-I615 VanDerWaalsContact C-N 3.28Å; L613-I615 PolarHBondContact O-N 3.14Å; L613-F616 CarbonylContact O-C 3.53Å; L613-F616 PolarHBondContact O-N 2.76Å; L613-H617 WeakPolarHBondContact O-CB 3.26Å; L613-H617 PolarHBondContact O-N 3.05Å
614	Q	41.5	Very low	41.8	Very low	135 Å²	135	82.5 Å²	82.5	63%	0.631	42%	0.424	S	S	*	.	H	α-helix	trans	-62.5	-34.3	174	-69.8	-179.5	-11.1	0	0	112.2	N611 W612 F616 H617	N611-Q614 PolarHBondContact O-N 3.4Å; W612-Q614 VanDerWaalsContact C-N 3.26Å; W612-Q614 PolarHBondContact O-N 2.89Å; Q614-F616 PolarHBondContact O-N 2.9Å; Q614-H617 PolarHBondContact O-N 3.15Å; Q614-H617 VanDerWaalsContact O-N 3.15Å
615	I	42.6	Very low	40.2	Very low	22 Å²	22	81.1 Å²	81.1	11%	0.113	44%	0.435	C	S	.	.	H	α-helix	trans	-58.4	-29	173.7	-60.7	168.2	0	0	0	111.9	V581 N611 W612 L613 L647	V581-I615 HydrophobicContact CB-CB 4.36Å; V581-I615 HydrophobicContact CB-CG1 3.84Å; V581-I615 HydrophobicContact CB-CG2 4.08Å; V581-I615 HydrophobicContact CG1-CB 3.72Å; V581-I615 HydrophobicContact CG1-CG1 3.45Å; V581-I615 VanDerWaalsContact CG1-CG1 3.45Å; V581-I615 HydrophobicContact CG1-CG2 3.81Å; V581-I615 HydrophobicContact CG2-CG2 4.31Å; N611-I615 WeakPolarHBondContact O-CG1 3.44Å; N611-I615 PolarHBondContact O-N 3.07Å; N611-I615 VanDerWaalsContact O-N 3.1Å; W612-I615 WeakPolarHBondContact O-CA 3.21Å; W612-I615 VanDerWaalsContact O-CB 3.28Å; W612-I615 WeakPolarHBondContact O-CB 3.42Å; W612-I615 PolarHBondContact O-N 3.42Å; L613-I615 VanDerWaalsContact C-N 3.28Å; L613-I615 PolarHBondContact O-N 3.14Å; I615-L647 HydrophobicContact CG2-CD2 3.88Å
616	F	39.5	Very low	38.4	Very low	37 Å²	37	88 Å²	88	16%	0.162	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-0.2	179.3	-64.8	-87.8	0	0	0	114	W612 L613 Q614 M618 F640 F642 L647 F697	W612-F616 AromaticContact CE3-CD2 3.91Å; W612-F616 HydrophobicContact CE3-CD2 3.91Å; W612-F616 HydrophobicContact CE3-CE2 4.15Å; W612-F616 HydrophobicContact CZ3-CD2 4.47Å; W612-F616 WeakPolarHBondContact O-CD2 3.32Å; W612-F616 PolarHBondContact O-N 3.07Å; L613-F616 CarbonylContact O-C 3.53Å; L613-F616 PolarHBondContact O-N 2.76Å; Q614-F616 PolarHBondContact O-N 2.9Å; F616-M618 PolarHBondContact O-N 3.04Å; F616-F640 HydrophobicContact CB-CD1 3.84Å; F616-F640 HydrophobicContact CB-CE1 3.78Å; F616-F640 HydrophobicContact CD1-CD1 4.48Å; F616-F642 HydrophobicContact CD1-CD2 4.34Å; F616-F642 AromaticContact CD1-CE2 3.46Å; F616-F642 HydrophobicContact CD1-CE2 3.46Å; F616-F642 VanDerWaalsContact CD1-CE2 3.46Å; F616-F642 HydrophobicContact CD1-CZ 4.26Å; F616-F642 HydrophobicContact CE1-CD2 4.26Å; F616-F642 AromaticContact CE1-CE2 3.48Å; F616-F642 HydrophobicContact CE1-CE2 3.48Å; F616-F642 VanDerWaalsContact CE1-CE2 3.48Å; F616-F642 HydrophobicContact CE1-CZ 4.4Å; F616-L647 HydrophobicContact CE1-CD1 4.44Å; F616-L647 HydrophobicContact CZ-CD1 3.84Å; F616-F697 HydrophobicContact CE2-CE1 4.33Å; F616-F697 HydrophobicContact CE2-CZ 4.35Å; F616-F697 AromaticContact CZ-CE1 3.97Å; F616-F697 HydrophobicContact CZ-CE1 3.97Å; F616-F697 HydrophobicContact CZ-CE2 4.39Å; F616-F697 AromaticContact CZ-CZ 3.68Å; F616-F697 HydrophobicContact CZ-CZ 3.68Å
617	H	33.1	Very low	36.9	Very low	125 Å²	125	92.3 Å²	92.3	58%	0.579	49%	0.487	S	S	*	.			trans	-90.8	108.3	-169.2	-140.9	-84	0	0	0	113.9	L613 Q614 T619	L613-H617 WeakPolarHBondContact O-CB 3.26Å; L613-H617 PolarHBondContact O-N 3.05Å; Q614-H617 PolarHBondContact O-N 3.15Å; Q614-H617 VanDerWaalsContact O-N 3.15Å; H617-T619 VanDerWaalsContact C-N 3.32Å; H617-T619 PolarHBondContact O-N 3.25Å; H617-T619 PolarHBondContact O-OG1 2.72Å
618	M	32.6	Very low	35.4	Very low	93 Å²	93	100.2 Å²	100.2	46%	0.458	52%	0.523	S	S	.	.			trans	2.5	4.4	154.2	-77.2	-73.2	-97.6	0	0	125.6	F616 E620 L621	F616-M618 PolarHBondContact O-N 3.04Å; M618-E620 VanDerWaalsContact C-N 3.33Å; M618-E620 PolarHBondContact O-N 3.05Å; M618-L621 PolarHBondContact O-N 2.6Å; M618-L621 HydrophobicContact SD-CB 4.41Å; M618-L621 HydrophobicContact SD-CD1 4.43Å
619	T	29.2	Very low	34.1	Very low	120 Å²	120	106 Å²	106	74%	0.736	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-23.6	-173.8	27	0	0	0	0	115.5	H617	H617-T619 VanDerWaalsContact C-N 3.32Å; H617-T619 PolarHBondContact O-N 3.25Å; H617-T619 PolarHBondContact O-OG1 2.72Å
620	E	32.2	Very low	32.9	Very low	139 Å²	139	111.2 Å²	111.2	65%	0.65	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-17.5	-178.8	-73.7	-165.9	147.2	0	0	115.1	M618	M618-E620 VanDerWaalsContact C-N 3.33Å; M618-E620 PolarHBondContact O-N 3.05Å
621	L	29.8	Very low	31.9	Very low	103 Å²	103	115 Å²	115	54%	0.539	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-92	-17	-174.1	-91	157.4	0	0	0	115	M618 N623 S624	M618-L621 PolarHBondContact O-N 2.6Å; M618-L621 HydrophobicContact SD-CB 4.41Å; M618-L621 HydrophobicContact SD-CD1 4.43Å; L621-N623 PolarHBondContact O-N 3.34Å; L621-S624 PolarHBondContact O-N 3.14Å; L621-S624 VanDerWaalsContact O-N 3.12Å; L621-S624 PolarHBondContact O-OG 2.87Å
622	N	25.9	Very low	30.7	Very low	130 Å²	130	119 Å²	119	70%	0.695	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-70.1	-11.1	176.9	-80.4	-10.6	0	0	0	113.8
623	N	27	Very low	29.5	Very low	151 Å²	151	122 Å²	122	81%	0.807	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-89.1	-2.2	173.2	-74.3	-10.5	0	0	0	113.5	L621 S625	L621-N623 PolarHBondContact O-N 3.34Å; N623-S625 PolarHBondContact O-N 3.2Å
624	S	27.5	Very low	28.6	Very low	50 Å²	50	123.6 Å²	123.6	35%	0.35	65%	0.649	S	S	.	*			trans	-84.2	102.7	168.7	68.6	0	0	0	0	109.3	L621 L626	L621-S624 PolarHBondContact O-N 3.14Å; L621-S624 VanDerWaalsContact O-N 3.12Å; L621-S624 PolarHBondContact O-OG 2.87Å; S624-L626 PolarHBondContact O-N 3.37Å
625	S	26	Very low	27.7	Very low	109 Å²	109	124.1 Å²	124.1	76%	0.762	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	15.2	179.3	51	0	0	0	0	115.1	N623	N623-S625 PolarHBondContact O-N 3.2Å
626	L	26.7	Very low	26.8	Very low	153 Å²	153	127.6 Å²	127.6	80%	0.801	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-6.5	-174.8	-102.1	137.7	0	0	0	114.7	S624	S624-L626 PolarHBondContact O-N 3.37Å
627	F	25.4	Very low	26.1	Very low	194 Å²	194	132.4 Å²	132.4	85%	0.851	71%	0.711	S	S	*	*			trans	-124.4	59.8	176.7	-72.5	-79.3	0	0	0	112.1
628	Q	23.8	Very low	25.6	Very low	176 Å²	176	136.1 Å²	136.1	82%	0.822	72%	0.72	S	S	*	*			trans	-115.5	16	177.5	-134.9	178.6	13.1	0	0	114.5
629	Q	23.6	Very low	25.2	Very low	176 Å²	176	138.5 Å²	138.5	82%	0.822	73%	0.732	S	S	*	*	S	Bend	trans	-121.8	116.8	177.7	-80.5	179.2	-14.5	0	0	112.1
630	D	24	Very low	25.2	Very low	143 Å²	143	139.3 Å²	139.3	77%	0.765	73%	0.725	S	S	*	*			trans	60.5	88.3	148.7	-55.5	-28.7	0	0	0	117.7
631	L	23.1	Very low	25.1	Very low	178 Å²	178	136.9 Å²	136.9	93%	0.932	72%	0.723	S	S	*	*			trans	-170.4	132.9	134.7	-98.3	139.6	0	0	0	110.8
632	L	21.8	Very low	25.4	Very low	138 Å²	138	136 Å²	136	72%	0.723	72%	0.715	S	S	*	*			trans	-43	152.1	-179.6	-97.6	74.1	0	0	0	114.3	T634	L632-T634 PolarHBondContact O-N 3.26Å
633	P	22.5	Very low	25.9	Very low	133 Å²	133	135.6 Å²	135.6	86%	0.864	71%	0.713	S	S	*	*			trans	-74.8	70.2	175.2	34.8	-33.6	0	0	0	109.4
634	T	22.3	Very low	26.2	Very low	91 Å²	91	130.2 Å²	130.2	56%	0.558	69%	0.694	S	S	*	*			trans	-80.2	136.6	163.2	53.1	0	0	0	0	107.2	L632 T636	L632-T634 PolarHBondContact O-N 3.26Å; T634-T636 PolarHBondContact O-N 2.83Å; T634-T636 PolarHBondContact O-OG1 2.86Å
635	T	23	Very low	26.9	Very low	145 Å²	145	128.4 Å²	128.4	89%	0.89	68%	0.683	S	S	*	*			trans	-65.5	43.6	-177.5	48.3	0	0	0	0	112.7	N637	T635-N637 PolarHBondContact O-N 2.77Å; T635-N637 VanDerWaalsContact O-N 3.16Å
636	T	24	Very low	27.9	Very low	95 Å²	95	124.3 Å²	124.3	58%	0.583	65%	0.653	S	S	*	*			trans	-73.5	106.8	177.9	52.5	0	0	0	0	107.7	T634 R638	T634-T636 PolarHBondContact O-N 2.83Å; T634-T636 PolarHBondContact O-OG1 2.86Å; T636-R638 PolarHBondContact O-N 2.84Å
637	N	24	Very low	29.3	Very low	138 Å²	138	118 Å²	118	74%	0.738	62%	0.621	S	S	*	*			trans	-25.7	96.9	161.2	-75.3	-27.5	0	0	0	110.9	T635 M639	T635-N637 PolarHBondContact O-N 2.77Å; T635-N637 VanDerWaalsContact O-N 3.16Å; N637-M639 PolarHBondContact O-N 3.24Å
638	R	22.5	Very low	31.1	Very low	204 Å²	204	112.7 Å²	112.7	77%	0.77	60%	0.595	S	S	*	*			trans	-72.4	100.6	179.3	-77.9	-176.4	177.1	178	-2.9	107.4	T636	T636-R638 PolarHBondContact O-N 2.84Å
639	M	25.8	Very low	33.2	Very low	143 Å²	143	104.3 Å²	104.3	70%	0.704	56%	0.555	S	S	*	*			trans	-54	132.5	173.2	-85.2	171.1	112.9	0	0	110.5	N637 S641 C772	N637-M639 PolarHBondContact O-N 3.24Å; M639-S641 PolarHBondContact O-N 2.6Å; M639-C772 HydrophobicContact CE-CB 3.77Å
640	F	28	Very low	35.5	Very low	136 Å²	136	96.2 Å²	96.2	60%	0.596	52%	0.518	S	S	*	.			trans	-76.1	113.9	175.9	-66.8	-84.6	0	0	0	110.1	F616	F616-F640 HydrophobicContact CB-CD1 3.84Å; F616-F640 HydrophobicContact CB-CE1 3.78Å; F616-F640 HydrophobicContact CD1-CD1 4.48Å
641	S	30.9	Very low	37.8	Very low	88 Å²	88	89.4 Å²	89.4	62%	0.615	48%	0.482	S	S	*	.			trans	-105.2	115	172.7	60.6	0	0	0	0	110.4	M639	M639-S641 PolarHBondContact O-N 2.6Å
642	F	35.4	Very low	40.5	Very low	84 Å²	84	81.8 Å²	81.8	37%	0.368	44%	0.441	S	S	.	.			trans	-90.5	107.7	150.2	-84.5	-82.8	0	0	0	106.4	A541 F616 G644	A541-F642 HydrophobicContact CB-CE1 4.01Å; F616-F642 HydrophobicContact CD1-CD2 4.34Å; F616-F642 AromaticContact CD1-CE2 3.46Å; F616-F642 HydrophobicContact CD1-CE2 3.46Å; F616-F642 VanDerWaalsContact CD1-CE2 3.46Å; F616-F642 HydrophobicContact CD1-CZ 4.26Å; F616-F642 HydrophobicContact CE1-CD2 4.26Å; F616-F642 AromaticContact CE1-CE2 3.48Å; F616-F642 HydrophobicContact CE1-CE2 3.48Å; F616-F642 VanDerWaalsContact CE1-CE2 3.48Å; F616-F642 HydrophobicContact CE1-CZ 4.4Å; F642-G644 PolarHBondContact O-N 3.49Å
643	D	35.8	Very low	42.9	Very low	122 Å²	122	75.6 Å²	75.6	65%	0.652	41%	0.409	S	S	*	.	S	Bend	trans	-62.2	87.2	170.4	-86.6	-16.2	0	0	0	109.5	G645	D643-G645 PolarHBondContact O-N 2.81Å
644	G	35.3	Very low	45.4	Very low	39 Å²	39	69.8 Å²	69.8	40%	0.402	37%	0.37	S	S	.	.	S	Bend	trans	63	23	-179.2	0	0	0	0	0	114.4	T544 F642	T544-G644 PolarHBondContact N-O 2.86Å; T544-G644 PolarHBondContact OG1-O 3.49Å; F642-G644 PolarHBondContact O-N 3.49Å
645	G	40.6	Very low	47.7	Very low	12 Å²	12	65.5 Å²	65.5	12%	0.124	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	136.6	176.4	0	0	0	0	0	112.2	V542 D643	V542-G645 CarbonylContact O-C 3.35Å; V542-G645 WeakPolarHBondContact O-CA 3.35Å; D643-G645 PolarHBondContact O-N 2.81Å
646	T	48.5	Very low	50	Low	23 Å²	23	61.1 Å²	61.1	14%	0.141	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.3	167.8	56.1	0	0	0	0	109.3	V542 T544 R648	V542-T646 PolarHBondContact N-O 2.49Å; V542-T646 PolarHBondContact O-N 2.98Å; T544-T646 HydrophobicContact CG2-CG2 3.9Å; T646-R648 PolarHBondContact O-N 2.9Å
647	L	54.6	Low	51.9	Low	21 Å²	21	57.9 Å²	57.9	11%	0.11	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	116.9	170.9	-81	164.2	0	0	0	108.6	I539 A541 I615 F616 C691 L692	I539-L647 HydrophobicContact CG2-CD2 3.98Å; A541-L647 HydrophobicContact CB-CD2 4.48Å; I615-L647 HydrophobicContact CG2-CD2 3.88Å; F616-L647 HydrophobicContact CE1-CD1 4.44Å; F616-L647 HydrophobicContact CZ-CD1 3.84Å; L647-C691 WeakPolarHBondContact O-CA 3.39Å; L647-L692 HydrophobicContact CB-CB 4.39Å; L647-L692 PolarHBondContact O-N 2.99Å
648	R	64.8	Low	53.7	Low	81 Å²	81	51.6 Å²	51.6	31%	0.306	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.1	175.2	-176.2	177.5	170	-179.3	-9.1	109.5	I539 E540 V542 T646 D650	I539-R648 WeakPolarHBondContact CA-O 3.46Å; E540-R648 PolarHBondContact N-O 3.23Å; E540-R648 PolarHBondContact O-N 3.05Å; V542-R648 HydrophobicContact CB-CB 4.47Å; V542-R648 HydrophobicContact CG2-CB 3.63Å; V542-R648 HydrophobicContact CG2-CG 4.45Å; T646-R648 PolarHBondContact O-N 2.9Å; R648-D650 IonicContact CZ-OD1 2.98Å; R648-D650 VanDerWaalsContact CZ-OD1 3.29Å; R648-D650 IonicContact CZ-OD2 2.71Å; R648-D650 IonicContact NE-OD1 2.82Å; R648-D650 PolarHBondContact NE-OD1 2.98Å; R648-D650 IonicContact NE-OD2 3.51Å; R648-D650 PolarHBondContact NE-OD2 3.21Å; R648-D650 IonicContact NH2-OD1 3.12Å; R648-D650 PolarHBondContact NH2-OD1 3.17Å; R648-D650 IonicContact NH2-OD2 3.04Å; R648-D650 PolarHBondContact NH2-OD2 3.24Å
649	V	66.2	Low	55.3	Low	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.4	170.1	-175.1	0	0	0	0	108.2	L469 I537 K538 I539 H689 C690 L692	L469-V649 HydrophobicContact CD1-CG1 4.15Å; L469-V649 HydrophobicContact CD1-CG2 4.37Å; L469-V649 HydrophobicContact CD2-CG1 4.28Å; I537-V649 HydrophobicContact CG2-CG1 3.81Å; K538-V649 CarbonylContact O-C 3.59Å; K538-V649 WeakPolarHBondContact O-CA 3.28Å; I539-V649 HydrophobicContact CG1-CG1 4.43Å; I539-V649 HydrophobicContact CG1-CG2 4.25Å; I539-V649 HydrophobicContact CG2-CG2 4.46Å; V649-H689 CarbonylContact O-C 3.57Å; V649-H689 WeakPolarHBondContact O-CA 3.46Å; V649-C690 PolarHBondContact N-O 3.47Å; V649-C690 PolarHBondContact O-N 3.47Å; V649-L692 HydrophobicContact CG2-CD1 3.69Å; V649-L692 HydrophobicContact CG2-CG 4.13Å
650	D	73	Confident	56.6	Low	7 Å²	7	41.6 Å²	41.6	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.5	174	-76.2	-39.2	0	0	0	110.1	I537 K538 R648 T686 H689	I537-D650 WeakPolarHBondContact CA-O 3.45Å; K538-D650 HydrophobicContact CB-CB 4.42Å; K538-D650 PolarHBondContact N-O 3.03Å; K538-D650 PolarHBondContact O-N 3.36Å; R648-D650 IonicContact CZ-OD1 2.98Å; R648-D650 VanDerWaalsContact CZ-OD1 3.29Å; R648-D650 IonicContact CZ-OD2 2.71Å; R648-D650 IonicContact NE-OD1 2.82Å; R648-D650 PolarHBondContact NE-OD1 2.98Å; R648-D650 IonicContact NE-OD2 3.51Å; R648-D650 PolarHBondContact NE-OD2 3.21Å; R648-D650 IonicContact NH2-OD1 3.12Å; R648-D650 PolarHBondContact NH2-OD1 3.17Å; R648-D650 IonicContact NH2-OD2 3.04Å; R648-D650 PolarHBondContact NH2-OD2 3.24Å; D650-T686 HydrophobicContact CB-CG2 4.41Å; D650-H689 WeakPolarHBondContact OD1-CB 3.34Å
651	V	71.7	Confident	57.6	Low	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.5	172	-175.9	0	0	0	0	108.3	I450 V471 I535 I537 T686 I687 G688	I450-V651 HydrophobicContact CD1-CG2 3.55Å; I450-V651 HydrophobicContact CG1-CG2 3.98Å; V471-V651 HydrophobicContact CG1-CG1 4.16Å; V471-V651 HydrophobicContact CG1-CG2 4.07Å; V471-V651 HydrophobicContact CG2-CG2 4.08Å; I535-V651 HydrophobicContact CD1-CG1 3.94Å; I535-V651 HydrophobicContact CG1-CG1 4.08Å; I537-V651 HydrophobicContact CG1-CG1 4.45Å; I537-V651 HydrophobicContact CG1-CG2 4.35Å; V651-T686 CarbonylContact O-C 3.58Å; V651-T686 WeakPolarHBondContact O-CA 3.13Å; V651-I687 HydrophobicContact CB-CG1 4.14Å; V651-I687 HydrophobicContact CG1-CD1 3.72Å; V651-I687 HydrophobicContact CG1-CG1 3.74Å; V651-I687 VanDerWaalsContact O-CG1 3.25Å; V651-I687 WeakPolarHBondContact O-CG1 3.44Å; V651-I687 PolarHBondContact O-N 3.36Å; V651-G688 PolarHBondContact N-O 2.96Å; V651-G688 PolarHBondContact O-N 3.23Å
652	Q	79	Confident	58.3	Low	18 Å²	18	36 Å²	36	8%	0.084	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	143.2	-175.8	-61	179.3	-6.9	0	0	110.3	V536 V685 T686	V536-Q652 HydrophobicContact CB-CB 4.31Å; V536-Q652 PolarHBondContact N-O 3.36Å; V536-Q652 PolarHBondContact O-N 3.41Å; Q652-V685 CarbonylContact C-O 3.58Å; Q652-V685 VanDerWaalsContact CA-O 3.25Å; Q652-V685 WeakPolarHBondContact CA-O 3.27Å; Q652-T686 HydrophobicContact CG-CG2 4.47Å
653	L	73	Confident	58.8	Low	7 Å²	7	32.4 Å²	32.4	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.1	160.3	-69.7	175.5	0	0	0	107.9	L446 L510 L533 Y534 W588 F684 V685 I687	L446-L653 HydrophobicContact CD1-CD1 4.4Å; L510-L653 HydrophobicContact CD2-CD1 4.32Å; L533-L653 HydrophobicContact CD1-CD2 4.49Å; Y534-L653 WeakPolarHBondContact O-CA 3.39Å; W588-L653 HydrophobicContact CD2-CD2 4.32Å; W588-L653 HydrophobicContact CE3-CD2 3.64Å; W588-L653 HydrophobicContact CZ3-CD2 3.77Å; L653-F684 WeakPolarHBondContact O-CA 3.3Å; L653-V685 PolarHBondContact N-O 2.92Å; L653-V685 PolarHBondContact O-N 2.99Å; L653-I687 HydrophobicContact CB-CG2 4.47Å; L653-I687 HydrophobicContact CD1-CG2 3.66Å; L653-I687 HydrophobicContact CG-CD1 4.2Å; L653-I687 HydrophobicContact CG-CG2 3.78Å
654	E	74.6	Confident	59.3	Low	11 Å²	11	27 Å²	27	5%	0.051	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.7	174	-178.6	-164.2	150	0	0	109.1	Y534 V536 R585 P682 I683 F684	Y534-E654 PolarHBondContact N-O 3.44Å; Y534-E654 PolarHBondContact O-N 2.78Å; V536-E654 HydrophobicContact CG2-CB 3.59Å; V536-E654 VanDerWaalsContact CG2-OE2 3.3Å; V536-E654 WeakPolarHBondContact CG2-OE2 3.41Å; R585-E654 IonicContact CZ-OE1 2.91Å; R585-E654 IonicContact CZ-OE2 3.29Å; R585-E654 IonicContact NE-OE1 2.68Å; R585-E654 IonicContact NE-OE2 3.84Å; R585-E654 PolarHBondContact NE-OE2 3.19Å; R585-E654 IonicContact NH2-OE1 3.98Å; R585-E654 PolarHBondContact NH2-OE1 2.74Å; R585-E654 IonicContact NH2-OE2 2.72Å; R585-E654 PolarHBondContact NH2-OE2 3.16Å; E654-P682 HydrophobicContact CG-CB 3.72Å; E654-P682 WeakPolarHBondContact OE1-CB 3.43Å; E654-I683 CarbonylContact C-O 3.57Å; E654-I683 WeakPolarHBondContact CA-O 3.29Å; E654-F684 HydrophobicContact CB-CD1 3.87Å; E654-F684 HydrophobicContact CB-CE1 3.85Å; E654-F684 HydrophobicContact CG-CD1 3.89Å; E654-F684 HydrophobicContact CG-CE1 3.48Å; E654-F684 VanDerWaalsContact CG-CE1 3.48Å; E654-F684 HydrophobicContact CG-CZ 4.04Å
655	F	71.7	Confident	59.8	Low	1 Å²	1	28.7 Å²	28.7	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	114.9	175.8	-153.2	-110.1	0	0	0	110.6	Y419 C422 L426 Y528 L529 L533 I683	Y419-F655 AromaticContact CD2-CD1 3.43Å; Y419-F655 HydrophobicContact CD2-CD1 3.43Å; Y419-F655 VanDerWaalsContact CD2-CD1 3.43Å; Y419-F655 AromaticContact CD2-CE1 3.46Å; Y419-F655 HydrophobicContact CD2-CE1 3.46Å; Y419-F655 VanDerWaalsContact CD2-CE1 3.46Å; Y419-F655 AromaticContact CE2-CD1 3.76Å; Y419-F655 HydrophobicContact CE2-CD1 3.76Å; Y419-F655 HydrophobicContact CE2-CE1 4.26Å; Y419-F655 HydrophobicContact CG-CD1 4.5Å; Y419-F655 HydrophobicContact CG-CE1 4.24Å; C422-F655 HydrophobicContact CB-CD1 3.96Å; C422-F655 HydrophobicContact CB-CE1 3.6Å; C422-F655 HydrophobicContact CB-CE2 4.25Å; C422-F655 HydrophobicContact CB-CG 4.4Å; C422-F655 HydrophobicContact CB-CZ 3.73Å; C422-F655 WeakPolarHBondContact SG-CZ 3.47Å; L426-F655 HydrophobicContact CD1-CB 3.91Å; L426-F655 HydrophobicContact CD1-CG 4.41Å; Y528-F655 AromaticContact CD1-CZ 3.98Å; Y528-F655 HydrophobicContact CD1-CZ 3.98Å; Y528-F655 AromaticContact CE1-CE1 3.61Å; Y528-F655 HydrophobicContact CE1-CE1 3.61Å; Y528-F655 HydrophobicContact CE1-CE2 4.41Å; Y528-F655 AromaticContact CE1-CZ 3.41Å; Y528-F655 HydrophobicContact CE1-CZ 3.41Å; Y528-F655 VanDerWaalsContact CE1-CZ 3.41Å; L529-F655 HydrophobicContact CD2-CE2 3.36Å; L529-F655 HydrophobicContact CD2-CZ 3.49Å; L529-F655 VanDerWaalsContact CD2-CZ 3.49Å; L533-F655 HydrophobicContact CB-CD2 4.05Å; L533-F655 HydrophobicContact CB-CE2 3.99Å; L533-F655 HydrophobicContact CD1-CD2 3.59Å; L533-F655 HydrophobicContact CD1-CE2 4.13Å; L533-F655 HydrophobicContact CG-CD2 4.37Å; F655-I683 PolarHBondContact N-O 3.05Å; F655-I683 PolarHBondContact O-N 2.86Å
656	Q	70	Confident	59.9	Low	54 Å²	54	29.2 Å²	29.2	25%	0.252	14%	0.144	S	C	.	.	P	Polyproline II helix	trans	-79.8	138.5	176.5	-70.7	-164.2	-34.8	0	0	110.7	Y528 Y532 Y534	Y528-Q656 PolarHBondContact OH-O 3.31Å; Y532-Q656 HydrophobicContact CD1-CB 4.05Å; Y532-Q656 PolarHBondContact O-N 2.81Å; Y534-Q656 HydrophobicContact CD2-CG 4.17Å; Y534-Q656 HydrophobicContact CE2-CG 3.94Å
657	P	65.2	Low	59.4	Low	26 Å²	26	30.5 Å²	30.5	17%	0.169	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-64.4	149.7	171.5	26.7	-32.6	0	0	0	111.1	Y419 Y528 I659	Y419-P657 HydrophobicContact CD2-CB 4.45Å; Y419-P657 HydrophobicContact CE2-CB 3.83Å; Y528-P657 VanDerWaalsContact OH-C 3.28Å; P657-I659 PolarHBondContact O-N 3.13Å
658	P	60.9	Low	58.7	Low	7 Å²	7	35.6 Å²	35.6	5%	0.045	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-65.2	134.5	176.5	24.2	-28.9	0	0	0	107.8	Q415 M416 Y419 Y528 L660	Q415-P658 HydrophobicContact CB-CB 4.17Å; M416-P658 HydrophobicContact CE-CG 4.33Å; M416-P658 HydrophobicContact CG-CG 4.28Å; Y419-P658 HydrophobicContact CG-CG 4.42Å; Y528-P658 HydrophobicContact CE2-CB 3.6Å; Y528-P658 WeakPolarHBondContact OH-CA 3.27Å; Y528-P658 WeakPolarHBondContact OH-CD 3.36Å; P658-L660 VanDerWaalsContact C-N 3.33Å; P658-L660 PolarHBondContact O-N 3.02Å
659	I	57.1	Low	57.5	Low	118 Å²	118	37.6 Å²	37.6	61%	0.605	19%	0.187	S	C	*	.			trans	-61.7	102.7	170.1	-58.6	172.7	0	0	0	106.4	P657 P661	P657-I659 PolarHBondContact O-N 3.13Å; I659-P661 VanDerWaalsContact O-CD 3.25Å; I659-P661 WeakPolarHBondContact O-CD 3.46Å
660	L	53.3	Low	56.3	Low	18 Å²	18	46.8 Å²	46.8	9%	0.094	23%	0.228	C	C	.	.			trans	-69.4	120.5	175.2	-79	162.7	0	0	0	107.2	T412 M416 P658 Q662 L664 Y665 V675	T412-L660 HydrophobicContact CG2-CD2 4.03Å; M416-L660 HydrophobicContact CE-CD1 3.45Å; M416-L660 VanDerWaalsContact CE-CD1 3.45Å; M416-L660 HydrophobicContact CE-CD2 3.38Å; M416-L660 HydrophobicContact CE-CG 3.63Å; M416-L660 HydrophobicContact CG-CD2 4.23Å; P658-L660 VanDerWaalsContact C-N 3.33Å; P658-L660 PolarHBondContact O-N 3.02Å; L660-Q662 PolarHBondContact O-N 2.66Å; L660-Q662 VanDerWaalsContact O-N 3.11Å; L660-L664 HydrophobicContact CD2-CD1 3.69Å; L660-Y665 HydrophobicContact CB-CE2 3.8Å; L660-Y665 HydrophobicContact CD1-CE2 4.34Å; L660-Y665 WeakPolarHBondContact CD1-OH 2.96Å; L660-V675 HydrophobicContact CD1-CG1 3.52Å; L660-V675 HydrophobicContact CD2-CG1 3.98Å; L660-V675 HydrophobicContact CG-CG1 4.38Å
661	P	48.1	Very low	54.8	Low	30 Å²	30	53.5 Å²	53.5	20%	0.195	26%	0.263	C	S	.	.			trans	-56.1	126.8	169.7	-22.4	34.7	0	0	0	108.2	T412 I659 Y663 L664	T412-P661 HydrophobicContact CG2-CG 4.37Å; I659-P661 VanDerWaalsContact O-CD 3.25Å; I659-P661 WeakPolarHBondContact O-CD 3.46Å; P661-Y663 HydrophobicContact CB-CD1 3.14Å; P661-Y663 HydrophobicContact CB-CD2 4.13Å; P661-Y663 HydrophobicContact CB-CE1 3Å; P661-Y663 HydrophobicContact CB-CE2 3.99Å; P661-Y663 HydrophobicContact CB-CG 3.73Å; P661-Y663 VanDerWaalsContact CB-CZ 3.43Å; P661-Y663 HydrophobicContact CG-CD1 4.2Å; P661-Y663 HydrophobicContact CG-CE1 3.56Å; P661-Y663 HydrophobicContact CG-CE2 4.35Å; P661-Y663 PolarHBondContact O-N 2.95Å; P661-L664 PolarHBondContact O-N 3.43Å
662	Q	45.2	Very low	53.3	Low	76 Å²	76	56.1 Å²	56.1	36%	0.355	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-49.7	-26.1	-176.5	-73.2	-173.2	-10.6	0	0	112.7	C326 L660 L664 Y665	C326-Q662 PolarHBondContact O-NE2 2.9Å; L660-Q662 PolarHBondContact O-N 2.66Å; L660-Q662 VanDerWaalsContact O-N 3.11Å; Q662-L664 VanDerWaalsContact C-N 3.27Å; Q662-L664 PolarHBondContact O-N 3.02Å; Q662-Y665 WeakPolarHBondContact O-CD2 3.15Å; Q662-Y665 PolarHBondContact O-N 3.44Å
663	Y	46.9	Very low	51.5	Low	9 Å²	9	61.2 Å²	61.2	4%	0.035	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-57.9	-33.2	178.6	82.5	-131.9	0	0	0	112.8	W347 Y351 L409 P661 Y665 C666	W347-Y663 HydrophobicContact CH2-CD1 4.21Å; W347-Y663 AromaticContact CH2-CD2 3.29Å; W347-Y663 HydrophobicContact CH2-CD2 3.29Å; W347-Y663 HydrophobicContact CH2-CE2 4.07Å; W347-Y663 AromaticContact CH2-CG 3.41Å; W347-Y663 HydrophobicContact CH2-CG 3.41Å; W347-Y663 VanDerWaalsContact CH2-CG 3.41Å; W347-Y663 AromaticContact CZ2-CD2 3.36Å; W347-Y663 HydrophobicContact CZ2-CD2 3.36Å; W347-Y663 HydrophobicContact CZ2-CE2 4.48Å; W347-Y663 AromaticContact CZ2-CG 3.44Å; W347-Y663 HydrophobicContact CZ2-CG 3.44Å; W347-Y663 VanDerWaalsContact CZ2-CG 3.44Å; W347-Y663 VanDerWaalsContact CZ2-O 3.31Å; W347-Y663 WeakPolarHBondContact CZ2-O 3.22Å; W347-Y663 PolarHBondContact NE1-O 3.05Å; Y351-Y663 AromaticContact CE2-CD1 3.75Å; Y351-Y663 HydrophobicContact CE2-CD1 3.75Å; Y351-Y663 HydrophobicContact CE2-CG 4.27Å; L409-Y663 HydrophobicContact CD1-CE2 4.42Å; L409-Y663 HydrophobicContact CD2-CE2 3.87Å; L409-Y663 HydrophobicContact CG-CE2 3.79Å; P661-Y663 HydrophobicContact CB-CD1 3.14Å; P661-Y663 HydrophobicContact CB-CD2 4.13Å; P661-Y663 HydrophobicContact CB-CE1 3Å; P661-Y663 HydrophobicContact CB-CE2 3.99Å; P661-Y663 HydrophobicContact CB-CG 3.73Å; P661-Y663 VanDerWaalsContact CB-CZ 3.43Å; P661-Y663 HydrophobicContact CG-CD1 4.2Å; P661-Y663 HydrophobicContact CG-CE1 3.56Å; P661-Y663 HydrophobicContact CG-CE2 4.35Å; P661-Y663 PolarHBondContact O-N 2.95Å; Y663-Y665 VanDerWaalsContact C-N 3.31Å; Y663-Y665 PolarHBondContact O-N 3.41Å; Y663-C666 WeakPolarHBondContact O-CB 3.1Å; Y663-C666 PolarHBondContact O-N 2.79Å
664	L	45.1	Very low	50.1	Low	8 Å²	8	66.8 Å²	66.8	4%	0.042	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-67.4	-28.9	179.4	-82.6	177.2	0	0	0	113.4	L409 T412 L660 P661 Q662 C666 F667 F672	L409-L664 HydrophobicContact CD2-CD2 3.47Å; L409-L664 VanDerWaalsContact CD2-CD2 3.47Å; L409-L664 HydrophobicContact CD2-CG 4.43Å; T412-L664 HydrophobicContact CG2-CD1 3.6Å; L660-L664 HydrophobicContact CD2-CD1 3.69Å; P661-L664 PolarHBondContact O-N 3.43Å; Q662-L664 VanDerWaalsContact C-N 3.27Å; Q662-L664 PolarHBondContact O-N 3.02Å; L664-C666 PolarHBondContact O-N 3.37Å; L664-F667 PolarHBondContact O-N 3.12Å; L664-F672 HydrophobicContact CD1-CE1 4.44Å; L664-F672 HydrophobicContact CD2-CD1 4.35Å; L664-F672 HydrophobicContact CD2-CE1 3.59Å; L664-F672 HydrophobicContact CD2-CE2 4.05Å; L664-F672 HydrophobicContact CD2-CZ 3.42Å; L664-F672 VanDerWaalsContact CD2-CZ 3.42Å
665	Y	46.6	Very low	48.6	Very low	75 Å²	75	67.2 Å²	67.2	29%	0.294	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-67.6	-16.2	178.9	-65.4	-90.8	0	0	0	113	L660 Q662 Y663 K676 H680	L660-Y665 HydrophobicContact CB-CE2 3.8Å; L660-Y665 HydrophobicContact CD1-CE2 4.34Å; L660-Y665 WeakPolarHBondContact CD1-OH 2.96Å; Q662-Y665 WeakPolarHBondContact O-CD2 3.15Å; Q662-Y665 PolarHBondContact O-N 3.44Å; Y663-Y665 VanDerWaalsContact C-N 3.31Å; Y663-Y665 PolarHBondContact O-N 3.41Å; Y665-K676 HydrophobicContact CD1-CD 4.45Å; Y665-K676 HydrophobicContact CD1-CG 3.88Å; Y665-K676 HydrophobicContact CE1-CG 4.18Å; Y665-H680 PolarHBondContact OH-CE1 2.8Å; Y665-H680 VanDerWaalsContact OH-CE1 3.28Å; Y665-H680 PolarHBondContact OH-NE2 3.41Å; Y665-H680 VanDerWaalsContact OH-NE2 3.07Å
666	C	43	Very low	47.1	Very low	24 Å²	24	72.7 Å²	72.7	16%	0.162	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-88	-17.5	-179.7	-58.3	0	0	0	0	113.2	I336 Y663 L664	I336-C666 HydrophobicContact CG2-CB 3.62Å; I336-C666 WeakPolarHBondContact CG2-SG 3.13Å; Y663-C666 WeakPolarHBondContact O-CB 3.1Å; Y663-C666 PolarHBondContact O-N 2.79Å; L664-C666 PolarHBondContact O-N 3.37Å
667	F	37.2	Very low	46	Very low	50 Å²	50	78.7 Å²	78.7	22%	0.219	38%	0.378	C	S	.	.	S	Bend	trans	-67.5	141.3	176.3	-97.3	-89.5	0	0	0	110.5	I344 W347 L664 Q669 F672	I344-F667 HydrophobicContact CD1-CE1 4.17Å; I344-F667 HydrophobicContact CD1-CZ 4.17Å; I344-F667 HydrophobicContact CG1-CE1 3.92Å; I344-F667 HydrophobicContact CG1-CZ 3.84Å; W347-F667 HydrophobicContact CH2-CE2 4.46Å; W347-F667 HydrophobicContact CZ2-CD2 4.48Å; W347-F667 HydrophobicContact CZ2-CE2 4.16Å; L664-F667 PolarHBondContact O-N 3.12Å; F667-Q669 PolarHBondContact O-N 3.2Å; F667-F672 HydrophobicContact CB-CD2 3.66Å; F667-F672 HydrophobicContact CB-CE2 3.69Å; F667-F672 HydrophobicContact CG-CE2 4.14Å
668	N	39.5	Very low	45.2	Very low	128 Å²	128	79.9 Å²	79.9	68%	0.684	38%	0.381	S	S	*	.			trans	-42.8	124.8	-176.4	-145.2	-22.2	0	0	0	111.5	K670 L671	N668-K670 PolarHBondContact O-N 2.86Å; N668-L671 PolarHBondContact O-N 2.76Å
669	Q	39.5	Very low	44.6	Very low	122 Å²	122	85.3 Å²	85.3	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-54	-18.7	-159.2	-68.2	179.5	-3	0	0	115.6	F667 K673	F667-Q669 PolarHBondContact O-N 3.2Å; Q669-K673 WeakPolarHBondContact O-CA 3.33Å; Q669-K673 WeakPolarHBondContact O-CB 3.46Å; Q669-K673 WeakPolarHBondContact O-CG 3.46Å; Q669-K673 PolarHBondContact O-N 2.76Å; Q669-K673 VanDerWaalsContact O-N 3.09Å
670	K	42.5	Very low	44.4	Very low	194 Å²	194	84.8 Å²	84.8	84%	0.843	40%	0.404	S	S	*	.	H	α-helix	trans	-68.6	-39	-177.1	-73.6	-175.1	177.5	179.9	0	113.6	N668	N668-K670 PolarHBondContact O-N 2.86Å
671	L	40.2	Very low	44.6	Very low	147 Å²	147	86.7 Å²	86.7	77%	0.77	42%	0.419	S	S	*	.	H	α-helix	trans	-78.1	-30.7	-175	-85.5	155.4	0	0	0	113.1	N668	N668-L671 PolarHBondContact O-N 2.76Å
672	F	41	Very low	45.4	Very low	56 Å²	56	87.4 Å²	87.4	25%	0.246	42%	0.424	C	S	.	.	H	α-helix	trans	-114.6	11.4	-174.5	-66.6	-82.2	0	0	0	113.7	L664 F667 N674 V675 K676	L664-F672 HydrophobicContact CD1-CE1 4.44Å; L664-F672 HydrophobicContact CD2-CD1 4.35Å; L664-F672 HydrophobicContact CD2-CE1 3.59Å; L664-F672 HydrophobicContact CD2-CE2 4.05Å; L664-F672 HydrophobicContact CD2-CZ 3.42Å; L664-F672 VanDerWaalsContact CD2-CZ 3.42Å; F667-F672 HydrophobicContact CB-CD2 3.66Å; F667-F672 HydrophobicContact CB-CE2 3.69Å; F667-F672 HydrophobicContact CG-CE2 4.14Å; F672-N674 PolarHBondContact O-N 2.8Å; F672-V675 HydrophobicContact CB-CB 4.21Å; F672-V675 HydrophobicContact CD1-CB 4.21Å; F672-V675 HydrophobicContact CD1-CG2 3.83Å; F672-V675 WeakPolarHBondContact O-CA 3.44Å; F672-V675 WeakPolarHBondContact O-CB 3.31Å; F672-V675 PolarHBondContact O-N 2.79Å; F672-K676 PolarHBondContact O-N 2.94Å
673	K	41.4	Very low	46.4	Very low	124 Å²	124	85.4 Å²	85.4	54%	0.539	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.3	177.2	-118.8	172.7	-174.1	-170.1	0	112.5	Q669 V675	Q669-K673 WeakPolarHBondContact O-CA 3.33Å; Q669-K673 WeakPolarHBondContact O-CB 3.46Å; Q669-K673 WeakPolarHBondContact O-CG 3.46Å; Q669-K673 PolarHBondContact O-N 2.76Å; Q669-K673 VanDerWaalsContact O-N 3.09Å; K673-V675 VanDerWaalsContact C-N 3.31Å
674	N	42.9	Very low	47.4	Very low	124 Å²	124	89.3 Å²	89.3	66%	0.663	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-31.7	174.9	-67.3	-4	0	0	0	111.6	F672 K677 F678	F672-N674 PolarHBondContact O-N 2.8Å; N674-K677 PolarHBondContact O-N 3.05Å; N674-F678 VanDerWaalsContact O-CD2 3.3Å; N674-F678 WeakPolarHBondContact O-CD2 3.3Å; N674-F678 WeakPolarHBondContact O-CE2 3.49Å
675	V	43.2	Very low	48.5	Very low	21 Å²	21	89.5 Å²	89.5	13%	0.127	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-71	-40	-178.2	171.6	0	0	0	0	112.8	M416 L660 F672 K673 K677 F678	M416-V675 HydrophobicContact CE-CB 4.32Å; M416-V675 HydrophobicContact CE-CG1 3.43Å; M416-V675 VanDerWaalsContact CE-CG1 3.43Å; M416-V675 HydrophobicContact CE-CG2 4.21Å; M416-V675 HydrophobicContact SD-CG1 4.26Å; M416-V675 HydrophobicContact SD-CG2 3.92Å; L660-V675 HydrophobicContact CD1-CG1 3.52Å; L660-V675 HydrophobicContact CD2-CG1 3.98Å; L660-V675 HydrophobicContact CG-CG1 4.38Å; F672-V675 HydrophobicContact CB-CB 4.21Å; F672-V675 HydrophobicContact CD1-CB 4.21Å; F672-V675 HydrophobicContact CD1-CG2 3.83Å; F672-V675 WeakPolarHBondContact O-CA 3.44Å; F672-V675 WeakPolarHBondContact O-CB 3.31Å; F672-V675 PolarHBondContact O-N 2.79Å; K673-V675 VanDerWaalsContact C-N 3.31Å; V675-K677 PolarHBondContact O-N 2.81Å; V675-F678 WeakPolarHBondContact O-CD2 3.14Å; V675-F678 PolarHBondContact O-N 2.9Å
676	K	41.2	Very low	49.5	Very low	115 Å²	115	88 Å²	88	50%	0.5	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-65.3	-19.5	176.4	-83.7	-173.8	175.5	179.2	0	114.1	Y665 F672 F678	Y665-K676 HydrophobicContact CD1-CD 4.45Å; Y665-K676 HydrophobicContact CD1-CG 3.88Å; Y665-K676 HydrophobicContact CE1-CG 4.18Å; F672-K676 PolarHBondContact O-N 2.94Å; K676-F678 VanDerWaalsContact C-N 3.31Å
677	K	45.4	Very low	50.6	Low	180 Å²	180	87.8 Å²	87.8	78%	0.783	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-82.4	-7.3	180	-77.1	-171.8	174.4	-171.5	0	113.5	N674 V675 D679	N674-K677 PolarHBondContact O-N 3.05Å; V675-K677 PolarHBondContact O-N 2.81Å; K677-D679 PolarHBondContact O-N 3.37Å
678	F	48.3	Very low	51.9	Low	52 Å²	52	85.7 Å²	85.7	23%	0.228	42%	0.422	C	S	.	.	S	Bend	trans	-78.7	123.4	178.9	-66.7	-66.6	0	0	0	110.2	M416 L420 L423 N674 V675 K676 H680	M416-F678 HydrophobicContact CE-CD2 4.38Å; M416-F678 HydrophobicContact SD-CD2 4.45Å; M416-F678 HydrophobicContact SD-CE2 4.47Å; L420-F678 HydrophobicContact CD1-CE1 4.26Å; L420-F678 HydrophobicContact CD1-CE2 4.24Å; L420-F678 HydrophobicContact CD1-CZ 3.54Å; L420-F678 HydrophobicContact CG-CZ 4.45Å; L423-F678 HydrophobicContact CD1-CD1 4.29Å; L423-F678 HydrophobicContact CD1-CE1 4.3Å; N674-F678 VanDerWaalsContact O-CD2 3.3Å; N674-F678 WeakPolarHBondContact O-CD2 3.3Å; N674-F678 WeakPolarHBondContact O-CE2 3.49Å; V675-F678 WeakPolarHBondContact O-CD2 3.14Å; V675-F678 PolarHBondContact O-N 2.9Å; K676-F678 VanDerWaalsContact C-N 3.31Å; F678-H680 PolarHBondContact O-ND1 2.82Å
679	D	48.2	Very low	53.2	Low	120 Å²	120	84.6 Å²	84.6	64%	0.642	41%	0.413	S	S	*	.			trans	-60	136.4	167.9	-128.9	-16.2	0	0	0	109	K677 S681	K677-D679 PolarHBondContact O-N 3.37Å; D679-S681 PolarHBondContact O-N 3.02Å
680	H	54.3	Low	54.2	Low	107 Å²	107	80.5 Å²	80.5	50%	0.495	40%	0.397	S	S	.	.			trans	-87	10.2	-179.5	-62.9	-30.5	0	0	0	112.2	Y665 F678	Y665-H680 PolarHBondContact OH-CE1 2.8Å; Y665-H680 VanDerWaalsContact OH-CE1 3.28Å; Y665-H680 PolarHBondContact OH-NE2 3.41Å; Y665-H680 VanDerWaalsContact OH-NE2 3.07Å; F678-H680 PolarHBondContact O-ND1 2.82Å
681	S	57.3	Low	54.8	Low	58 Å²	58	74.2 Å²	74.2	41%	0.406	38%	0.377	S	S	.	.	S	Bend	trans	-74.3	138.6	174.4	44.9	0	0	0	0	110.5	D679	D679-S681 PolarHBondContact O-N 3.02Å
682	P	64.2	Low	55.3	Low	45 Å²	45	68.6 Å²	68.6	29%	0.292	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-59.5	141.8	168.7	23.1	-29.9	0	0	0	110.1	E654 F684	E654-P682 HydrophobicContact CG-CB 3.72Å; E654-P682 WeakPolarHBondContact OE1-CB 3.43Å; P682-F684 HydrophobicContact CB-CE2 4.21Å; P682-F684 HydrophobicContact CB-CZ 4.1Å; P682-F684 HydrophobicContact CG-CE2 3.86Å; P682-F684 HydrophobicContact CG-CZ 3.77Å; P682-F684 WeakPolarHBondContact O-CD2 3.25Å; P682-F684 WeakPolarHBondContact O-CE2 3.29Å
683	I	66.1	Low	55.4	Low	35 Å²	35	71.1 Å²	71.1	18%	0.179	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.1	-179.6	-61.4	160	0	0	0	108.3	Y419 L423 L426 E654 F655	Y419-I683 HydrophobicContact CE2-CD1 3.95Å; Y419-I683 WeakPolarHBondContact OH-CD1 3.44Å; L423-I683 HydrophobicContact CD1-CD1 4.11Å; L423-I683 HydrophobicContact CD2-CD1 3.3Å; L423-I683 HydrophobicContact CD2-CG1 4.43Å; L423-I683 HydrophobicContact CG-CD1 3.4Å; L426-I683 HydrophobicContact CD1-CG2 4.16Å; E654-I683 CarbonylContact C-O 3.57Å; E654-I683 WeakPolarHBondContact CA-O 3.29Å; F655-I683 PolarHBondContact N-O 3.05Å; F655-I683 PolarHBondContact O-N 2.86Å
684	F	68.4	Low	55.3	Low	91 Å²	91	67.8 Å²	67.8	40%	0.399	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.8	178.1	-56.9	-86.9	0	0	0	110.5	L653 E654 P682	L653-F684 WeakPolarHBondContact O-CA 3.3Å; E654-F684 HydrophobicContact CB-CD1 3.87Å; E654-F684 HydrophobicContact CB-CE1 3.85Å; E654-F684 HydrophobicContact CG-CD1 3.89Å; E654-F684 HydrophobicContact CG-CE1 3.48Å; E654-F684 VanDerWaalsContact CG-CE1 3.48Å; E654-F684 HydrophobicContact CG-CZ 4.04Å; P682-F684 HydrophobicContact CB-CE2 4.21Å; P682-F684 HydrophobicContact CB-CZ 4.1Å; P682-F684 HydrophobicContact CG-CE2 3.86Å; P682-F684 HydrophobicContact CG-CZ 3.77Å; P682-F684 WeakPolarHBondContact O-CD2 3.25Å; P682-F684 WeakPolarHBondContact O-CE2 3.29Å
685	V	67.3	Low	54.9	Low	11 Å²	11	64.8 Å²	64.8	7%	0.067	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	121.8	168.5	173.9	0	0	0	0	110	L426 L429 Q652 L653 I687	L426-V685 HydrophobicContact CB-CG2 3.63Å; L426-V685 HydrophobicContact CD2-CB 3.78Å; L426-V685 HydrophobicContact CD2-CG1 4.36Å; L426-V685 HydrophobicContact CD2-CG2 3.48Å; L426-V685 VanDerWaalsContact CD2-CG2 3.48Å; L426-V685 HydrophobicContact CG-CG2 4.03Å; L429-V685 HydrophobicContact CB-CG1 4.3Å; Q652-V685 CarbonylContact C-O 3.58Å; Q652-V685 VanDerWaalsContact CA-O 3.25Å; Q652-V685 WeakPolarHBondContact CA-O 3.27Å; L653-V685 PolarHBondContact N-O 2.92Å; L653-V685 PolarHBondContact O-N 2.99Å; V685-I687 PolarHBondContact O-N 2.89Å
686	T	68.5	Low	54.6	Low	44 Å²	44	67.9 Å²	67.9	27%	0.27	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	103.8	176	-49.3	0	0	0	0	110.8	K433 D650 V651 Q652 G688	K433-T686 PolarHBondContact NZ-O 3.38Å; D650-T686 HydrophobicContact CB-CG2 4.41Å; V651-T686 CarbonylContact O-C 3.58Å; V651-T686 WeakPolarHBondContact O-CA 3.13Å; Q652-T686 HydrophobicContact CG-CG2 4.47Å; T686-G688 WeakPolarHBondContact CG2-O 3.46Å
687	I	65.1	Low	54.4	Low	20 Å²	20	66 Å²	66	10%	0.103	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-29	178.5	56.8	164.9	0	0	0	112.5	L446 I473 V651 L653 V685	L446-I687 HydrophobicContact CD1-CG2 3.89Å; I473-I687 HydrophobicContact CD1-CD1 3.58Å; I473-I687 HydrophobicContact CG1-CD1 4.18Å; V651-I687 HydrophobicContact CB-CG1 4.14Å; V651-I687 HydrophobicContact CG1-CD1 3.72Å; V651-I687 HydrophobicContact CG1-CG1 3.74Å; V651-I687 VanDerWaalsContact O-CG1 3.25Å; V651-I687 WeakPolarHBondContact O-CG1 3.44Å; V651-I687 PolarHBondContact O-N 3.36Å; L653-I687 HydrophobicContact CB-CG2 4.47Å; L653-I687 HydrophobicContact CD1-CG2 3.66Å; L653-I687 HydrophobicContact CG-CD1 4.2Å; L653-I687 HydrophobicContact CG-CG2 3.78Å; V685-I687 PolarHBondContact O-N 2.89Å
688	G	65	Low	53.8	Low	6 Å²	6	59.9 Å²	59.9	6%	0.062	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	151.4	-179.6	0	0	0	0	0	110.7	V651 T686	V651-G688 PolarHBondContact N-O 2.96Å; V651-G688 PolarHBondContact O-N 3.23Å; T686-G688 WeakPolarHBondContact CG2-O 3.46Å
689	H	68.1	Low	53.1	Low	104 Å²	104	66.2 Å²	66.2	48%	0.481	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146	169.5	67.1	-63.7	0	0	0	108.7	V649 D650	V649-H689 CarbonylContact O-C 3.57Å; V649-H689 WeakPolarHBondContact O-CA 3.46Å; D650-H689 WeakPolarHBondContact OD1-CB 3.34Å
690	C	59.1	Low	52.2	Low	37 Å²	37	63.6 Å²	63.6	25%	0.25	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	129	174.5	178.5	0	0	0	0	108.2	I450 V649	I450-C690 HydrophobicContact CB-CB 3.93Å; I450-C690 HydrophobicContact CD1-CB 3.78Å; I450-C690 HydrophobicContact CG1-CB 4.4Å; I450-C690 HydrophobicContact CG2-CB 4.29Å; V649-C690 PolarHBondContact N-O 3.47Å; V649-C690 PolarHBondContact O-N 3.47Å
691	C	56.5	Low	51.1	Low	62 Å²	62	61.8 Å²	61.8	42%	0.419	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	120.8	164.9	-61.2	0	0	0	0	107.4	L647 D693	L647-C691 WeakPolarHBondContact O-CA 3.39Å; C691-D693 PolarHBondContact O-N 2.91Å
692	L	50.6	Low	49.8	Very low	28 Å²	28	65.7 Å²	65.7	15%	0.147	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	98.7	173.7	-65.5	170.3	0	0	0	107.7	L452 L647 V649	L452-L692 HydrophobicContact CB-CD2 4.01Å; L452-L692 HydrophobicContact CD1-CD1 3.98Å; L452-L692 HydrophobicContact CD1-CD2 4.47Å; L452-L692 HydrophobicContact CD2-CD1 4.24Å; L452-L692 HydrophobicContact CD2-CD2 4.43Å; L647-L692 HydrophobicContact CB-CB 4.39Å; L647-L692 PolarHBondContact O-N 2.99Å; V649-L692 HydrophobicContact CG2-CD1 3.69Å; V649-L692 HydrophobicContact CG2-CG 4.13Å
693	D	43.1	Very low	48.2	Very low	110 Å²	110	69.5 Å²	69.5	59%	0.588	35%	0.35	S	S	*	.			trans	-69.8	137.3	166.2	-74.1	-26.3	0	0	0	109.2	C691 L695	C691-D693 PolarHBondContact O-N 2.91Å; D693-L695 PolarHBondContact O-N 2.94Å
694	C	38.8	Very low	46.3	Very low	54 Å²	54	75.3 Å²	75.3	37%	0.365	38%	0.381	S	S	.	.	S	Bend	trans	-59.7	17.8	-159.9	-55.3	0	0	0	0	118.4	H696 F697 L773	C694-H696 VanDerWaalsContact C-N 3.32Å; C694-H696 PolarHBondContact O-N 2.77Å; C694-F697 PolarHBondContact O-N 3.45Å; C694-L773 HydrophobicContact CB-CD2 4.08Å; C694-L773 WeakPolarHBondContact O-CD2 3.38Å
695	L	34.6	Very low	44.3	Very low	60 Å²	60	75.4 Å²	75.4	31%	0.314	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-6.1	-177.3	-112	154.2	0	0	0	115.2	D693 F697 L773 V829	D693-L695 PolarHBondContact O-N 2.94Å; L695-F697 PolarHBondContact O-N 3.43Å; L695-L773 HydrophobicContact CG-CD1 4.35Å; L695-V829 HydrophobicContact CD1-CG2 4Å; L695-V829 HydrophobicContact CD2-CG2 4.39Å
696	H	36.8	Very low	42.4	Very low	87 Å²	87	79.5 Å²	79.5	40%	0.403	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3	171.7	-77.5	-71.2	0	0	0	113.8	L452 C694	L452-H696 HydrophobicContact CD2-CB 4.13Å; L452-H696 PolarHBondContact O-CE1 2.83Å; C694-H696 VanDerWaalsContact C-N 3.32Å; C694-H696 PolarHBondContact O-N 2.77Å
697	F	37.4	Very low	40.4	Very low	75 Å²	75	82.2 Å²	82.2	33%	0.329	43%	0.427	S	S	.	.			trans	-116.3	70.9	-173.6	-51.9	-78.5	0	0	0	111.4	F616 C694 L695 Y699	F616-F697 HydrophobicContact CE2-CE1 4.33Å; F616-F697 HydrophobicContact CE2-CZ 4.35Å; F616-F697 AromaticContact CZ-CE1 3.97Å; F616-F697 HydrophobicContact CZ-CE1 3.97Å; F616-F697 HydrophobicContact CZ-CE2 4.39Å; F616-F697 AromaticContact CZ-CZ 3.68Å; F616-F697 HydrophobicContact CZ-CZ 3.68Å; C694-F697 PolarHBondContact O-N 3.45Å; L695-F697 PolarHBondContact O-N 3.43Å; F697-Y699 PolarHBondContact O-N 2.95Å
698	L	33	Very low	38.5	Very low	52 Å²	52	90.7 Å²	90.7	27%	0.272	46%	0.463	S	S	.	.			trans	-80.9	110.7	170.8	-72	165.1	0	0	0	108.9	I738	L698-I738 HydrophobicContact CD1-CG1 3.94Å
699	Y	32.1	Very low	36.7	Very low	184 Å²	184	96.8 Å²	96.8	72%	0.722	49%	0.493	S	S	*	.			trans	-108	139.7	169.4	-118.1	-89.3	0	0	0	110.2	F697	F697-Y699 PolarHBondContact O-N 2.95Å
700	Q	30.6	Very low	34.8	Very low	66 Å²	66	95.7 Å²	95.7	31%	0.308	49%	0.493	S	S	.	.			trans	-75.3	128.6	169.6	-174.3	174.8	-0.4	0	0	109.4	E702 S742 F769	Q700-E702 PolarHBondContact O-N 3.24Å; Q700-S742 PolarHBondContact OE1-OG 3.43Å; Q700-F769 HydrophobicContact CG-CE1 4.4Å
701	I	30.6	Very low	33.2	Very low	69 Å²	69	101.9 Å²	101.9	35%	0.354	52%	0.519	S	S	.	.			trans	-75	109.5	163.4	-57.4	-177.1	0	0	0	106.5	N703	I701-N703 PolarHBondContact O-N 2.97Å
702	E	30.9	Very low	31.8	Very low	140 Å²	140	106.3 Å²	106.3	65%	0.654	54%	0.538	S	S	*	.			trans	-59	127.1	168.9	-78.2	-173.6	154.9	0	0	109.2	Q700 N704	Q700-E702 PolarHBondContact O-N 3.24Å; E702-N704 PolarHBondContact O-N 3.42Å
703	N	29.4	Very low	30.5	Very low	125 Å²	125	111.9 Å²	111.9	67%	0.668	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	9.8	-166.9	-114.7	-4.9	0	0	0	116.2	I701	I701-N703 PolarHBondContact O-N 2.97Å
704	N	26.8	Very low	29.7	Very low	156 Å²	156	115.1 Å²	115.1	83%	0.834	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	2.5	-158.2	-80.4	-13.1	0	0	0	117.9	E702	E702-N704 PolarHBondContact O-N 3.42Å
705	S	26.7	Very low	29.2	Very low	93 Å²	93	116.3 Å²	116.3	65%	0.65	59%	0.587	S	S	*	*	S	Bend	trans	-136.1	-32.1	177	58.1	0	0	0	0	116.7
706	L	26.3	Very low	29	Very low	98 Å²	98	118.9 Å²	118.9	51%	0.513	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.8	-20.2	-174.8	-83.6	160.2	0	0	0	114.9	K708 I709 V710	L706-K708 PolarHBondContact O-N 3.21Å; L706-I709 PolarHBondContact O-N 3.16Å; L706-I709 VanDerWaalsContact O-N 3.08Å; L706-V710 PolarHBondContact O-N 2.86Å
707	L	26.4	Very low	29.1	Very low	101 Å²	101	124.1 Å²	124.1	53%	0.529	62%	0.621	S	S	.	*	H	α-helix	trans	-67.3	-21.7	-178.2	-89.9	163.7	0	0	0	113.9	I709	L707-I709 VanDerWaalsContact C-N 3.28Å; L707-I709 PolarHBondContact O-N 2.86Å
708	K	26.2	Very low	29.1	Very low	198 Å²	198	128.5 Å²	128.5	86%	0.861	64%	0.64	S	S	*	*	H	α-helix	trans	-74.8	-15.5	173.5	-89.6	-172.7	176.5	179.7	0	114.4	L706	L706-K708 PolarHBondContact O-N 3.21Å
709	I	27.2	Very low	30	Very low	133 Å²	133	129.7 Å²	129.7	68%	0.682	65%	0.646	S	S	*	*	H	α-helix	trans	-98.2	-23.8	-180	-58.8	178.4	0	0	0	111.4	L706 L707	L706-I709 PolarHBondContact O-N 3.16Å; L706-I709 VanDerWaalsContact O-N 3.08Å; L707-I709 VanDerWaalsContact C-N 3.28Å; L707-I709 PolarHBondContact O-N 2.86Å
710	V	27.4	Very low	31.2	Very low	82 Å²	82	124.9 Å²	124.9	50%	0.497	63%	0.63	S	S	.	*	H	α-helix	trans	-96.7	-9.3	-172.9	-171.6	0	0	0	0	114.2	L706 N712 E713	L706-V710 PolarHBondContact O-N 2.86Å; V710-N712 PolarHBondContact O-N 3.36Å; V710-E713 PolarHBondContact O-N 3.13Å
711	E	26.4	Very low	32.7	Very low	167 Å²	167	125.4 Å²	125.4	78%	0.78	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-17.5	176.4	-84.8	-172.2	166.1	0	0	114.3
712	N	25.7	Very low	34.2	Very low	155 Å²	155	124.2 Å²	124.2	83%	0.829	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	-1.8	-174.7	-93.8	-9.3	0	0	0	116.4	V710	V710-N712 PolarHBondContact O-N 3.36Å
713	E	24.5	Very low	35.8	Very low	145 Å²	145	123.3 Å²	123.3	68%	0.678	63%	0.627	S	S	*	*			trans	-120	122.7	169.2	-59.5	-161.5	166.3	0	0	108.8	V710 P715	V710-E713 PolarHBondContact O-N 3.13Å; E713-P715 HydrophobicContact CB-CG 3.89Å; E713-P715 WeakPolarHBondContact O-CD 3.38Å
714	N	26.4	Very low	37.5	Very low	177 Å²	177	118 Å²	118	95%	0.947	60%	0.598	S	S	*	*			trans	-99.3	64.3	165.7	-143.2	-8.8	0	0	0	108.1
715	P	27.5	Very low	39.5	Very low	79 Å²	79	114.7 Å²	114.7	51%	0.513	58%	0.581	S	S	.	*			trans	-106.2	123	174.1	40	-24	0	0	0	108.4	E713	E713-P715 HydrophobicContact CB-CG 3.89Å; E713-P715 WeakPolarHBondContact O-CD 3.38Å
716	M	31.6	Very low	41.4	Very low	115 Å²	115	110.3 Å²	110.3	57%	0.567	55%	0.55	S	S	*	.				163.3	93.7	123.1	-86.6	-74.1	175.1	0	0	106.7	F718 I821	M716-F718 PolarHBondContact O-N 3.19Å; M716-F718 VanDerWaalsContact O-N 3.1Å; M716-I821 HydrophobicContact CB-CD1 4.42Å; M716-I821 HydrophobicContact CG-CD1 3.91Å; M716-I821 HydrophobicContact SD-CD1 4.19Å
717	K	37.2	Very low	43.4	Very low	196 Å²	196	108.4 Å²	108.4	85%	0.852	54%	0.54	S	S	*	.	S	Bend	trans	-73.7	7.6	-171.1	-135.7	172.7	-177.4	177.4	0	114
718	F	38.7	Very low	45.1	Very low	167 Å²	167	106.6 Å²	106.6	73%	0.732	53%	0.531	S	S	*	.			trans	-146.1	81.6	-176.7	-67.1	-77.3	0	0	0	110.2	M716	M716-F718 PolarHBondContact O-N 3.19Å; M716-F718 VanDerWaalsContact O-N 3.1Å
719	I	52	Low	46.9	Very low	77 Å²	77	100 Å²	100	40%	0.395	51%	0.51	S	S	.	.			trans	-97.6	107.9	172.8	-60.2	175.4	0	0	0	106.1	T721	I719-T721 PolarHBondContact O-N 2.84Å; I719-T721 VanDerWaalsContact O-N 3.12Å; I719-T721 PolarHBondContact O-OG1 2.92Å
720	H	57.3	Low	48.6	Very low	83 Å²	83	93.8 Å²	93.8	38%	0.384	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	119.3	169.3	-61.3	80.2	0	0	0	106.9	S819 S820 I821 L823 L826	H720-S819 WeakPolarHBondContact O-CA 3.43Å; H720-S820 WeakPolarHBondContact CB-O 3.34Å; H720-S820 PolarHBondContact N-O 2.88Å; H720-S820 PolarHBondContact O-N 2.94Å; H720-I821 PolarHBondContact ND1-O 3.25Å; H720-I821 VanDerWaalsContact ND1-O 3.13Å; H720-L823 HydrophobicContact CB-CD1 4.39Å; H720-L826 HydrophobicContact CB-CD2 4.02Å; H720-L826 WeakPolarHBondContact O-CD1 3.38Å
721	T	62.1	Low	50.4	Low	78 Å²	78	90 Å²	90	48%	0.479	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.2	-175.4	-8.4	0	0	0	0	108.9	I719 T817 I818 S819	I719-T721 PolarHBondContact O-N 2.84Å; I719-T721 VanDerWaalsContact O-N 3.12Å; I719-T721 PolarHBondContact O-OG1 2.92Å; T721-T817 HydrophobicContact CG2-CG2 3.61Å; T721-I818 CarbonylContact C-O 3.57Å; T721-I818 VanDerWaalsContact CA-O 3.28Å; T721-I818 WeakPolarHBondContact CA-O 3.45Å; T721-S819 WeakPolarHBondContact CG2-OG 3.44Å
722	M	61	Low	52.1	Low	43 Å²	43	84.5 Å²	84.5	21%	0.212	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.8	175.1	177.6	175.9	-110.1	0	0	109.2	I724 T817 I818 L826 W827 Y830	M722-I724 HydrophobicContact CG-CG1 4.1Å; M722-I724 HydrophobicContact SD-CD1 4.49Å; M722-I724 HydrophobicContact SD-CG1 4.44Å; M722-T817 CarbonylContact O-C 3.6Å; M722-T817 WeakPolarHBondContact O-CA 3.25Å; M722-I818 PolarHBondContact N-O 3.28Å; M722-I818 PolarHBondContact O-N 3.23Å; M722-L826 HydrophobicContact CB-CD1 4.26Å; M722-L826 HydrophobicContact CB-CD2 3.69Å; M722-L826 HydrophobicContact CB-CG 3.99Å; M722-W827 HydrophobicContact CE-CE3 4.08Å; M722-W827 HydrophobicContact CE-CZ3 3.98Å; M722-Y830 HydrophobicContact CE-CD2 3.85Å; M722-Y830 HydrophobicContact CE-CE2 4.32Å; M722-Y830 HydrophobicContact CE-CG 3.98Å; M722-Y830 HydrophobicContact CG-CD2 4.48Å; M722-Y830 VanDerWaalsContact SD-CB 3.5Å; M722-Y830 HydrophobicContact SD-CD2 3.34Å; M722-Y830 WeakPolarHBondContact SD-CD2 3.19Å; M722-Y830 HydrophobicContact SD-CE2 4.25Å; M722-Y830 HydrophobicContact SD-CG 3.58Å; M722-Y830 VanDerWaalsContact SD-CG 3.58Å
723	H	64.6	Low	53.7	Low	122 Å²	122	78.8 Å²	78.8	57%	0.565	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.2	176.7	-59.4	-80.6	0	0	0	109.1	F816 T817	H723-F816 CarbonylContact C-O 3.49Å; H723-F816 WeakPolarHBondContact CA-O 3.42Å; H723-T817 WeakPolarHBondContact CE1-CG2 3.41Å; H723-T817 PolarHBondContact CE1-OG1 2.82Å; H723-T817 VanDerWaalsContact CE1-OG1 3.29Å; H723-T817 PolarHBondContact ND1-OG1 2.78Å
724	I	65.8	Low	55.5	Low	12 Å²	12	72.6 Å²	72.6	6%	0.062	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.5	179.7	-47.4	176.2	0	0	0	108	M722 I726 F816 I818 Y830 I833	M722-I724 HydrophobicContact CG-CG1 4.1Å; M722-I724 HydrophobicContact SD-CD1 4.49Å; M722-I724 HydrophobicContact SD-CG1 4.44Å; I724-I726 HydrophobicContact CG2-CG2 3.94Å; I724-I726 PolarHBondContact O-N 2.73Å; I724-F816 PolarHBondContact N-O 3.01Å; I724-F816 WeakPolarHBondContact O-CB 3.34Å; I724-F816 PolarHBondContact O-N 2.81Å; I724-I818 HydrophobicContact CD1-CD1 3.49Å; I724-I818 VanDerWaalsContact CD1-CD1 3.49Å; I724-I818 HydrophobicContact CD1-CG1 4.41Å; I724-I818 HydrophobicContact CG1-CD1 4.38Å; I724-Y830 HydrophobicContact CD1-CD2 3.47Å; I724-Y830 VanDerWaalsContact CD1-CD2 3.47Å; I724-Y830 HydrophobicContact CD1-CE2 4.26Å; I724-Y830 HydrophobicContact CD1-CG 4.32Å; I724-Y830 HydrophobicContact CG1-CD2 3.83Å; I724-Y830 HydrophobicContact CG1-CE2 4.27Å; I724-I833 HydrophobicContact CD1-CB 4.35Å; I724-I833 HydrophobicContact CD1-CD1 3.94Å; I724-I833 HydrophobicContact CD1-CG2 4.27Å; I724-I833 HydrophobicContact CG2-CG2 4.2Å
725	N	68	Low	57	Low	88 Å²	88	64.5 Å²	64.5	47%	0.471	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	119.3	169	-71.8	-30.6	0	0	0	109	W814 Q837	N725-W814 CarbonylContact C-O 3.58Å; N725-W814 VanDerWaalsContact CA-O 3.31Å; N725-W814 WeakPolarHBondContact CA-O 3.38Å; N725-Q837 PolarHBondContact O-NE2 3.28Å
726	I	68.1	Low	58.3	Low	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.7	179.6	55.9	176.7	0	0	0	110.7	I724 V730 F731 I734 W814 F816 I833 Q837	I724-I726 HydrophobicContact CG2-CG2 3.94Å; I724-I726 PolarHBondContact O-N 2.73Å; I726-V730 HydrophobicContact CB-CG1 4.49Å; I726-F731 HydrophobicContact CD1-CB 3.77Å; I726-F731 HydrophobicContact CD1-CD2 3.74Å; I726-F731 HydrophobicContact CD1-CG 4.23Å; I726-F731 HydrophobicContact CG1-CB 4.21Å; I726-I734 HydrophobicContact CD1-CD1 4.22Å; I726-W814 HydrophobicContact CD1-CB 4.45Å; I726-W814 HydrophobicContact CG1-CB 3.88Å; I726-W814 PolarHBondContact N-O 2.82Å; I726-W814 PolarHBondContact O-N 3.4Å; I726-F816 HydrophobicContact CD1-CB 3.75Å; I726-F816 HydrophobicContact CD1-CD2 3.56Å; I726-F816 HydrophobicContact CD1-CE2 4.31Å; I726-F816 HydrophobicContact CD1-CG 3.76Å; I726-F816 HydrophobicContact CG1-CB 4.11Å; I726-I833 HydrophobicContact CG2-CG2 3.51Å; I726-Q837 VanDerWaalsContact CA-NE2 3.34Å
727	N	66.9	Low	59.2	Low	58 Å²	58	59.5 Å²	59.5	31%	0.31	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	150.2	173.5	-68.4	-13.9	0	0	0	110.2	S729 V730 F731	N727-S729 VanDerWaalsContact C-N 3.27Å; N727-S729 PolarHBondContact O-N 2.75Å; N727-V730 HydrophobicContact CB-CG2 4.46Å; N727-V730 WeakPolarHBondContact O-CB 3.23Å; N727-V730 PolarHBondContact O-N 3.38Å; N727-F731 PolarHBondContact O-N 3.14Å
728	D	62.4	Low	59.7	Low	64 Å²	64	51 Å²	51	34%	0.342	27%	0.268	S	S	.	.	H	α-helix	trans	-51	-43.8	179.2	-168.5	49	0	0	0	112.7	V730 F731 Q732 N812 W814	D728-V730 VanDerWaalsContact C-N 3.26Å; D728-V730 PolarHBondContact O-N 3.23Å; D728-F731 WeakPolarHBondContact O-CB 3.17Å; D728-F731 PolarHBondContact O-N 2.86Å; D728-F731 VanDerWaalsContact O-N 3.17Å; D728-Q732 VanDerWaalsContact O-CG 3.26Å; D728-Q732 WeakPolarHBondContact O-CG 3.39Å; D728-Q732 PolarHBondContact O-N 3.41Å; D728-N812 PolarHBondContact N-O 2.86Å; D728-W814 PolarHBondContact OD1-NE1 3.12Å
729	S	64.1	Low	59.9	Low	58 Å²	58	44.1 Å²	44.1	41%	0.406	24%	0.238	S	C	.	.	H	α-helix	trans	-57.9	-35.9	177.1	62	0	0	0	0	114	N727 S733 S840	N727-S729 VanDerWaalsContact C-N 3.27Å; N727-S729 PolarHBondContact O-N 2.75Å; S729-S733 WeakPolarHBondContact O-CB 3.49Å; S729-S733 PolarHBondContact O-N 3.33Å; S729-S840 PolarHBondContact OG-OG 3.18Å
730	V	62.6	Low	59.5	Low	3 Å²	3	45.5 Å²	45.5	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-79	-40.3	-179.9	179.9	0	0	0	0	109.8	I726 N727 D728 S733 I734 R836 Q837	I726-V730 HydrophobicContact CB-CG1 4.49Å; N727-V730 HydrophobicContact CB-CG2 4.46Å; N727-V730 WeakPolarHBondContact O-CB 3.23Å; N727-V730 PolarHBondContact O-N 3.38Å; D728-V730 VanDerWaalsContact C-N 3.26Å; D728-V730 PolarHBondContact O-N 3.23Å; V730-S733 WeakPolarHBondContact O-CB 3.44Å; V730-S733 PolarHBondContact O-N 3.41Å; V730-I734 HydrophobicContact CG1-CD1 4.01Å; V730-I734 WeakPolarHBondContact O-CG1 3.5Å; V730-I734 PolarHBondContact O-N 3.32Å; V730-R836 HydrophobicContact CG1-CB 4.34Å; V730-Q837 HydrophobicContact CB-CG 4.46Å; V730-Q837 HydrophobicContact CG1-CG 4.08Å; V730-Q837 HydrophobicContact CG2-CB 4.47Å; V730-Q837 HydrophobicContact CG2-CG 4.06Å
731	F	65.1	Low	58.5	Low	4 Å²	4	47.6 Å²	47.6	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-49.2	172.8	177.6	-108.6	0	0	0	111.4	I726 N727 D728 S733 I734 I735 W782 W814 F816	I726-F731 HydrophobicContact CD1-CB 3.77Å; I726-F731 HydrophobicContact CD1-CD2 3.74Å; I726-F731 HydrophobicContact CD1-CG 4.23Å; I726-F731 HydrophobicContact CG1-CB 4.21Å; N727-F731 PolarHBondContact O-N 3.14Å; D728-F731 WeakPolarHBondContact O-CB 3.17Å; D728-F731 PolarHBondContact O-N 2.86Å; D728-F731 VanDerWaalsContact O-N 3.17Å; F731-S733 VanDerWaalsContact C-N 3.28Å; F731-S733 PolarHBondContact O-N 2.81Å; F731-I734 PolarHBondContact O-N 2.96Å; F731-I734 VanDerWaalsContact O-N 3.17Å; F731-I735 HydrophobicContact CD1-CG1 4.32Å; F731-I735 HydrophobicContact CD2-CG1 4.07Å; F731-I735 HydrophobicContact CE1-CG1 3.94Å; F731-I735 HydrophobicContact CE2-CD1 3.86Å; F731-I735 HydrophobicContact CE2-CG1 3.71Å; F731-I735 HydrophobicContact CG-CG1 4.39Å; F731-I735 HydrophobicContact CZ-CD1 3.87Å; F731-I735 HydrophobicContact CZ-CG1 3.63Å; F731-I735 WeakPolarHBondContact O-CB 3.5Å; F731-I735 WeakPolarHBondContact O-CG1 3.34Å; F731-I735 PolarHBondContact O-N 2.87Å; F731-W782 HydrophobicContact CE2-CB 3.97Å; F731-W782 AromaticContact CE2-CD1 3.72Å; F731-W782 HydrophobicContact CE2-CD2 4.05Å; F731-W782 AromaticContact CE2-CG 3.61Å; F731-W782 HydrophobicContact CE2-CG 3.61Å; F731-W782 AromaticContact CZ-CD1 3.51Å; F731-W782 HydrophobicContact CZ-CD2 4.29Å; F731-W782 AromaticContact CZ-CG 3.89Å; F731-W782 HydrophobicContact CZ-CG 3.89Å; F731-W782 AromaticContact CZ-NE1 3.69Å; F731-W814 HydrophobicContact CB-CB 4.47Å; F731-W814 HydrophobicContact CB-CG 4.09Å; F731-W814 AromaticContact CD1-CD2 3.69Å; F731-W814 HydrophobicContact CD1-CD2 3.69Å; F731-W814 AromaticContact CD1-CE2 3.51Å; F731-W814 HydrophobicContact CD1-CE3 4.16Å; F731-W814 HydrophobicContact CD1-CG 4.07Å; F731-W814 HydrophobicContact CD1-CH2 4.29Å; F731-W814 AromaticContact CD1-CZ2 3.84Å; F731-W814 HydrophobicContact CD1-CZ2 3.84Å; F731-W814 HydrophobicContact CD1-CZ3 4.43Å; F731-W814 AromaticContact CD1-NE1 3.74Å; F731-W814 HydrophobicContact CD2-CB 4.41Å; F731-W814 HydrophobicContact CD2-CD2 4.32Å; F731-W814 HydrophobicContact CD2-CE3 4.49Å; F731-W814 HydrophobicContact CD2-CG 4.3Å; F731-W814 AromaticContact CE1-CD2 3.83Å; F731-W814 HydrophobicContact CE1-CD2 3.83Å; F731-W814 AromaticContact CE1-CE2 3.74Å; F731-W814 AromaticContact CE1-CE3 3.82Å; F731-W814 HydrophobicContact CE1-CE3 3.82Å; F731-W814 AromaticContact CE1-CH2 3.67Å; F731-W814 HydrophobicContact CE1-CH2 3.67Å; F731-W814 AromaticContact CE1-CZ2 3.67Å; F731-W814 HydrophobicContact CE1-CZ2 3.67Å; F731-W814 AromaticContact CE1-CZ3 3.73Å; F731-W814 HydrophobicContact CE1-CZ3 3.73Å; F731-W814 HydrophobicContact CE2-CD2 4.41Å; F731-W814 HydrophobicContact CE2-CE3 4.15Å; F731-W814 HydrophobicContact CG-CB 4.38Å; F731-W814 AromaticContact CG-CD2 3.94Å; F731-W814 HydrophobicContact CG-CD2 3.94Å; F731-W814 HydrophobicContact CG-CE3 4.48Å; F731-W814 AromaticContact CG-CG 3.89Å; F731-W814 HydrophobicContact CG-CG 3.89Å; F731-W814 HydrophobicContact CZ-CD2 4.19Å; F731-W814 AromaticContact CZ-CE3 3.8Å; F731-W814 HydrophobicContact CZ-CE3 3.8Å; F731-W814 HydrophobicContact CZ-CH2 4.2Å; F731-W814 AromaticContact CZ-CZ3 3.81Å; F731-W814 HydrophobicContact CZ-CZ3 3.81Å; F731-F816 HydrophobicContact CD2-CD2 4.19Å; F731-F816 HydrophobicContact CD2-CE2 4.2Å; F731-F816 HydrophobicContact CE2-CD2 4.28Å; F731-F816 HydrophobicContact CE2-CE2 4.1Å
732	Q	62.3	Low	57	Low	51 Å²	51	46.5 Å²	46.5	24%	0.238	25%	0.25	C	S	.	.	H	α-helix	trans	-56.8	-41.6	175.5	-67.4	-54.9	-25.5	0	0	112.5	D728 S736 L754	D728-Q732 VanDerWaalsContact O-CG 3.26Å; D728-Q732 WeakPolarHBondContact O-CG 3.39Å; D728-Q732 PolarHBondContact O-N 3.41Å; Q732-S736 VanDerWaalsContact O-CB 3.25Å; Q732-S736 WeakPolarHBondContact O-CB 3.42Å; Q732-S736 PolarHBondContact O-N 3.16Å; Q732-L754 VanDerWaalsContact CD-CD1 3.44Å; Q732-L754 VanDerWaalsContact OE1-CD1 3.24Å
733	S	60.5	Low	55.6	Low	34 Å²	34	47.9 Å²	47.9	24%	0.238	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-45.2	177	-177.5	0	0	0	0	112.2	S729 V730 F731 S736 D737	S729-S733 WeakPolarHBondContact O-CB 3.49Å; S729-S733 PolarHBondContact O-N 3.33Å; V730-S733 WeakPolarHBondContact O-CB 3.44Å; V730-S733 PolarHBondContact O-N 3.41Å; F731-S733 VanDerWaalsContact C-N 3.28Å; F731-S733 PolarHBondContact O-N 2.81Å; S733-S736 PolarHBondContact O-N 2.59Å; S733-D737 PolarHBondContact O-N 2.95Å; S733-D737 VanDerWaalsContact O-N 3.13Å
734	I	60.6	Low	53.8	Low	16 Å²	16	48.1 Å²	48.1	8%	0.082	27%	0.273	C	S	.	.	H	α-helix	trans	-64.5	-47.7	178.1	-67.7	166.2	0	0	0	110.6	I726 V730 F731 S736 D737 I738 F816 I833	I726-I734 HydrophobicContact CD1-CD1 4.22Å; V730-I734 HydrophobicContact CG1-CD1 4.01Å; V730-I734 WeakPolarHBondContact O-CG1 3.5Å; V730-I734 PolarHBondContact O-N 3.32Å; F731-I734 PolarHBondContact O-N 2.96Å; F731-I734 VanDerWaalsContact O-N 3.17Å; I734-S736 PolarHBondContact O-N 2.75Å; I734-D737 PolarHBondContact O-N 2.85Å; I734-I738 HydrophobicContact CG2-CD1 3.77Å; I734-I738 WeakPolarHBondContact O-CG1 3.37Å; I734-I738 PolarHBondContact O-N 2.82Å; I734-F816 HydrophobicContact CG2-CZ 4.19Å; I734-I833 HydrophobicContact CD1-CG1 4.14Å; I734-I833 HydrophobicContact CD1-CG2 4.37Å
735	I	59	Low	52	Low	7 Å²	7	54 Å²	54	4%	0.036	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-45.1	178.7	-67.6	-67.2	0	0	0	110.4	F731 D737 I738 F739	F731-I735 HydrophobicContact CD1-CG1 4.32Å; F731-I735 HydrophobicContact CD2-CG1 4.07Å; F731-I735 HydrophobicContact CE1-CG1 3.94Å; F731-I735 HydrophobicContact CE2-CD1 3.86Å; F731-I735 HydrophobicContact CE2-CG1 3.71Å; F731-I735 HydrophobicContact CG-CG1 4.39Å; F731-I735 HydrophobicContact CZ-CD1 3.87Å; F731-I735 HydrophobicContact CZ-CG1 3.63Å; F731-I735 WeakPolarHBondContact O-CB 3.5Å; F731-I735 WeakPolarHBondContact O-CG1 3.34Å; F731-I735 PolarHBondContact O-N 2.87Å; I735-D737 PolarHBondContact O-N 2.81Å; I735-I738 PolarHBondContact O-N 2.86Å; I735-I738 VanDerWaalsContact O-N 3.11Å; I735-F739 HydrophobicContact CB-CD2 4.48Å; I735-F739 HydrophobicContact CD1-CE2 4.01Å; I735-F739 HydrophobicContact CG2-CD2 3.63Å; I735-F739 HydrophobicContact CG2-CE2 3.9Å; I735-F739 VanDerWaalsContact O-CD2 3.29Å; I735-F739 WeakPolarHBondContact O-CD2 3.35Å; I735-F739 PolarHBondContact O-N 2.98Å
736	S	54.7	Low	50.3	Low	45 Å²	45	53.9 Å²	53.9	32%	0.315	31%	0.305	S	S	.	.	H	α-helix	trans	-58.8	-36.7	177	-179.8	0	0	0	0	112.7	Q732 S733 I734 K740	Q732-S736 VanDerWaalsContact O-CB 3.25Å; Q732-S736 WeakPolarHBondContact O-CB 3.42Å; Q732-S736 PolarHBondContact O-N 3.16Å; S733-S736 PolarHBondContact O-N 2.59Å; I734-S736 PolarHBondContact O-N 2.75Å; S736-K740 WeakPolarHBondContact O-CB 3.45Å; S736-K740 VanDerWaalsContact O-CG 3.31Å; S736-K740 WeakPolarHBondContact O-CG 3.38Å; S736-K740 PolarHBondContact O-N 2.88Å
737	D	49.9	Very low	48.7	Very low	43 Å²	43	59.1 Å²	59.1	23%	0.23	34%	0.341	C	S	.	.	H	α-helix	trans	-71.4	-37.1	176.7	-78.8	-13.2	0	0	0	111.7	S733 I734 I735 K740 R836	S733-D737 PolarHBondContact O-N 2.95Å; S733-D737 VanDerWaalsContact O-N 3.13Å; I734-D737 PolarHBondContact O-N 2.85Å; I735-D737 PolarHBondContact O-N 2.81Å; D737-K740 IonicContact OD1-NZ 2.59Å; D737-R836 IonicContact OD2-CZ 2.9Å; D737-R836 VanDerWaalsContact OD2-CZ 3.29Å; D737-R836 IonicContact OD2-NH1 2.87Å; D737-R836 PolarHBondContact OD2-NH1 3.35Å; D737-R836 IonicContact OD2-NH2 3.99Å; D737-R836 PolarHBondContact OD2-NH2 3.25Å
738	I	48.5	Very low	47	Very low	19 Å²	19	63 Å²	63	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-69.1	-41.5	179.2	-66.8	167	0	0	0	112	L698 I734 I735 F769	L698-I738 HydrophobicContact CD1-CG1 3.94Å; I734-I738 HydrophobicContact CG2-CD1 3.77Å; I734-I738 WeakPolarHBondContact O-CG1 3.37Å; I734-I738 PolarHBondContact O-N 2.82Å; I735-I738 PolarHBondContact O-N 2.86Å; I735-I738 VanDerWaalsContact O-N 3.11Å; I738-F769 HydrophobicContact CG2-CD1 4.49Å
739	F	43	Very low	45.5	Very low	22 Å²	22	63.3 Å²	63.3	10%	0.096	36%	0.361	C	S	.	.	H	α-helix	trans	-100	1.9	-170.6	-70.6	-82.5	0	0	0	115	I735 N741 S742 M757 F769	I735-F739 HydrophobicContact CB-CD2 4.48Å; I735-F739 HydrophobicContact CD1-CE2 4.01Å; I735-F739 HydrophobicContact CG2-CD2 3.63Å; I735-F739 HydrophobicContact CG2-CE2 3.9Å; I735-F739 VanDerWaalsContact O-CD2 3.29Å; I735-F739 WeakPolarHBondContact O-CD2 3.35Å; I735-F739 PolarHBondContact O-N 2.98Å; F739-N741 PolarHBondContact O-N 3.41Å; F739-S742 PolarHBondContact O-N 2.9Å; F739-S742 VanDerWaalsContact O-N 3.14Å; F739-S742 PolarHBondContact O-OG 2.82Å; F739-M757 HydrophobicContact CE2-CE 3.61Å; F739-M757 HydrophobicContact CZ-CE 3.52Å; F739-F769 HydrophobicContact CE1-CE1 4.2Å; F739-F769 HydrophobicContact CE1-CE2 4.18Å; F739-F769 AromaticContact CE1-CZ 3.43Å; F739-F769 HydrophobicContact CE1-CZ 3.43Å; F739-F769 VanDerWaalsContact CE1-CZ 3.43Å; F739-F769 AromaticContact CE2-CE2 3.98Å; F739-F769 HydrophobicContact CE2-CE2 3.98Å; F739-F769 HydrophobicContact CE2-CZ 4.04Å; F739-F769 HydrophobicContact CZ-CE1 4.23Å; F739-F769 AromaticContact CZ-CE2 3.42Å; F739-F769 HydrophobicContact CZ-CE2 3.42Å; F739-F769 VanDerWaalsContact CZ-CE2 3.42Å; F739-F769 AromaticContact CZ-CZ 3.14Å; F739-F769 HydrophobicContact CZ-CZ 3.14Å
740	K	43.7	Very low	44	Very low	106 Å²	106	67.3 Å²	67.3	46%	0.461	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.1	-173.6	-123.6	172.3	-176.3	175.4	0	114.2	S736 D737	S736-K740 WeakPolarHBondContact O-CB 3.45Å; S736-K740 VanDerWaalsContact O-CG 3.31Å; S736-K740 WeakPolarHBondContact O-CG 3.38Å; S736-K740 PolarHBondContact O-N 2.88Å; D737-K740 IonicContact OD1-NZ 2.59Å
741	N	34.9	Very low	42.6	Very low	127 Å²	127	73.9 Å²	73.9	68%	0.679	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-10.7	-175.9	-77.6	-0.4	0	0	0	115.4	F739	F739-N741 PolarHBondContact O-N 3.41Å
742	S	32	Very low	41.2	Very low	55 Å²	55	77.2 Å²	77.2	39%	0.385	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-9.7	-170.5	42	0	0	0	0	116.2	Q700 F739	Q700-S742 PolarHBondContact OE1-OG 3.43Å; F739-S742 PolarHBondContact O-N 2.9Å; F739-S742 VanDerWaalsContact O-N 3.14Å; F739-S742 PolarHBondContact O-OG 2.82Å
743	I	30.6	Very low	40.1	Very low	72 Å²	72	77.4 Å²	77.4	37%	0.369	42%	0.422	S	S	.	.			trans	-142.3	96.6	-171.2	-45.5	179.4	0	0	0	112.5	F745 F753	I743-F745 VanDerWaalsContact C-N 3.28Å; I743-F745 HydrophobicContact CG2-CD2 3.19Å; I743-F745 HydrophobicContact CG2-CE2 3.61Å; I743-F745 HydrophobicContact CG2-CG 4.17Å; I743-F745 PolarHBondContact O-N 2.77Å; I743-F753 HydrophobicContact CD1-CD2 3.99Å; I743-F753 HydrophobicContact CD1-CE2 3.26Å; I743-F753 HydrophobicContact CD1-CZ 3.73Å
744	S	26.7	Very low	39.1	Very low	126 Å²	126	78 Å²	78	88%	0.881	42%	0.422	S	S	*	.			trans	-69.3	76.7	165.4	45.9	0	0	0	0	111
745	F	28.8	Very low	38	Very low	135 Å²	135	82.5 Å²	82.5	59%	0.592	44%	0.441	S	S	*	.			trans	-105.9	128.6	164.4	-87.5	-60.4	0	0	0	111.4	I743 H749	I743-F745 VanDerWaalsContact C-N 3.28Å; I743-F745 HydrophobicContact CG2-CD2 3.19Å; I743-F745 HydrophobicContact CG2-CE2 3.61Å; I743-F745 HydrophobicContact CG2-CG 4.17Å; I743-F745 PolarHBondContact O-N 2.77Å; F745-H749 HydrophobicContact CB-CB 4.03Å; F745-H749 HydrophobicContact CD1-CB 4.3Å; F745-H749 AromaticContact CD1-CD2 3.49Å; F745-H749 VanDerWaalsContact CD1-CD2 3.49Å; F745-H749 WeakPolarHBondContact CD1-CD2 3.16Å; F745-H749 AromaticContact CE1-CD2 3.91Å; F745-H749 HydrophobicContact CG-CB 4.05Å
746	S	31.3	Very low	36.9	Very low	87 Å²	87	87.4 Å²	87.4	61%	0.608	47%	0.467	S	S	*	.			trans	-49.8	146.6	161.8	51.1	0	0	0	0	110.7	N748 H749	S746-N748 PolarHBondContact O-N 2.91Å; S746-H749 PolarHBondContact O-N 3.03Å
747	S	34.4	Very low	35.9	Very low	110 Å²	110	87.3 Å²	87.3	77%	0.769	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-11.1	-165.4	47.6	0	0	0	0	118
748	N	31.9	Very low	35.3	Very low	138 Å²	138	89.9 Å²	89.9	74%	0.738	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-0.4	-179.2	-78.2	-15.4	0	0	0	115.3	S746	S746-N748 PolarHBondContact O-N 2.91Å
749	H	30.5	Very low	34.5	Very low	72 Å²	72	97.3 Å²	97.3	33%	0.333	51%	0.511	S	S	.	.			trans	-112.5	3.9	-176.2	-68.6	-43.3	0	0	0	116.2	F745 S746 E751 N752 F753	F745-H749 HydrophobicContact CB-CB 4.03Å; F745-H749 HydrophobicContact CD1-CB 4.3Å; F745-H749 AromaticContact CD1-CD2 3.49Å; F745-H749 VanDerWaalsContact CD1-CD2 3.49Å; F745-H749 WeakPolarHBondContact CD1-CD2 3.16Å; F745-H749 AromaticContact CE1-CD2 3.91Å; F745-H749 HydrophobicContact CG-CB 4.05Å; S746-H749 PolarHBondContact O-N 3.03Å; H749-E751 VanDerWaalsContact C-N 3.33Å; H749-E751 PolarHBondContact O-N 2.75Å; H749-N752 HydrophobicContact CB-CB 4.47Å; H749-N752 PolarHBondContact ND1-ND2 3.04Å; H749-N752 PolarHBondContact O-N 3.11Å; H749-N752 VanDerWaalsContact O-N 3.1Å; H749-F753 PolarHBondContact O-N 2.78Å
750	H	33.9	Very low	33.9	Very low	141 Å²	141	99.3 Å²	99.3	65%	0.653	53%	0.528	S	S	*	.	H	α-helix	trans	-60	-42	173.9	-112.2	-45.5	0	0	0	112.4	N752 F753	H750-N752 VanDerWaalsContact C-N 3.33Å; H750-N752 PolarHBondContact O-N 3.22Å; H750-F753 PolarHBondContact O-N 3.37Å
751	E	33.4	Very low	33.2	Very low	141 Å²	141	98.3 Å²	98.3	66%	0.659	53%	0.527	S	S	*	.	H	α-helix	trans	-66	-35.7	173.7	-80.1	-156.7	173.8	0	0	112.7	H749 K755	H749-E751 VanDerWaalsContact C-N 3.33Å; H749-E751 PolarHBondContact O-N 2.75Å; E751-K755 WeakPolarHBondContact O-CB 3.13Å; E751-K755 WeakPolarHBondContact O-CG 3.33Å; E751-K755 PolarHBondContact O-N 2.95Å; E751-K755 IonicContact OE2-NZ 3.57Å
752	N	35.7	Very low	33.1	Very low	74 Å²	74	100.9 Å²	100.9	40%	0.396	54%	0.541	S	S	.	.	H	α-helix	trans	-73.2	-33.6	-179.4	-82.5	-10.9	0	0	0	112	H749 H750 K755 L756	H749-N752 HydrophobicContact CB-CB 4.47Å; H749-N752 PolarHBondContact ND1-ND2 3.04Å; H749-N752 PolarHBondContact O-N 3.11Å; H749-N752 VanDerWaalsContact O-N 3.1Å; H750-N752 VanDerWaalsContact C-N 3.33Å; H750-N752 PolarHBondContact O-N 3.22Å; N752-K755 CarbonylContact O-C 3.54Å; N752-K755 PolarHBondContact O-N 3.09Å; N752-L756 VanDerWaalsContact O-CB 3.27Å; N752-L756 WeakPolarHBondContact O-CB 3.41Å; N752-L756 PolarHBondContact O-N 3.47Å
753	F	37.9	Very low	33.2	Very low	56 Å²	56	101.4 Å²	101.4	25%	0.246	54%	0.544	C	S	.	.	H	α-helix	trans	-65.2	-42.2	179.3	-173.3	-100.5	0	0	0	112.1	I743 H749 H750 L756 M757	I743-F753 HydrophobicContact CD1-CD2 3.99Å; I743-F753 HydrophobicContact CD1-CE2 3.26Å; I743-F753 HydrophobicContact CD1-CZ 3.73Å; H749-F753 PolarHBondContact O-N 2.78Å; H750-F753 PolarHBondContact O-N 3.37Å; F753-L756 CarbonylContact O-C 3.58Å; F753-L756 WeakPolarHBondContact O-CB 3.48Å; F753-L756 PolarHBondContact O-N 3.18Å; F753-M757 HydrophobicContact CE1-CE 4.18Å; F753-M757 HydrophobicContact CE1-CG 4.24Å; F753-M757 HydrophobicContact CZ-CE 4.46Å; F753-M757 PolarHBondContact O-N 2.87Å
754	L	39.1	Very low	33.3	Very low	47 Å²	47	104.4 Å²	104.4	25%	0.246	56%	0.561	C	S	.	*	H	α-helix	trans	-67.6	-42.6	174	-72.2	165.5	0	0	0	112.1	Q732 L756 M757 V758	Q732-L754 VanDerWaalsContact CD-CD1 3.44Å; Q732-L754 VanDerWaalsContact OE1-CD1 3.24Å; L754-L756 PolarHBondContact O-N 2.71Å; L754-M757 PolarHBondContact O-N 3.04Å; L754-V758 WeakPolarHBondContact O-CG2 3.45Å; L754-V758 PolarHBondContact O-N 3.41Å
755	K	38.1	Very low	33.6	Very low	109 Å²	109	104.6 Å²	104.6	47%	0.474	55%	0.552	S	S	.	*	H	α-helix	trans	-60.2	-34.7	171.7	-79.9	171.8	179	157.2	0	111.3	E751 N752 K759	E751-K755 WeakPolarHBondContact O-CB 3.13Å; E751-K755 WeakPolarHBondContact O-CG 3.33Å; E751-K755 PolarHBondContact O-N 2.95Å; E751-K755 IonicContact OE2-NZ 3.57Å; N752-K755 CarbonylContact O-C 3.54Å; N752-K755 PolarHBondContact O-N 3.09Å; K755-K759 WeakPolarHBondContact O-CB 3.36Å; K755-K759 VanDerWaalsContact O-CG 3.3Å; K755-K759 WeakPolarHBondContact O-CG 3.42Å; K755-K759 PolarHBondContact O-N 2.79Å
756	L	35.1	Very low	34	Very low	110 Å²	110	99.2 Å²	99.2	58%	0.576	54%	0.536	S	S	*	.	H	α-helix	trans	-68.6	-48.4	175	-106.9	134.9	0	0	0	111	N752 F753 L754 V758 K759 S760	N752-L756 VanDerWaalsContact O-CB 3.27Å; N752-L756 WeakPolarHBondContact O-CB 3.41Å; N752-L756 PolarHBondContact O-N 3.47Å; F753-L756 CarbonylContact O-C 3.58Å; F753-L756 WeakPolarHBondContact O-CB 3.48Å; F753-L756 PolarHBondContact O-N 3.18Å; L754-L756 PolarHBondContact O-N 2.71Å; L756-V758 VanDerWaalsContact C-N 3.29Å; L756-V758 PolarHBondContact O-N 2.85Å; L756-K759 PolarHBondContact O-N 2.78Å; L756-S760 WeakPolarHBondContact O-CA 3.32Å; L756-S760 WeakPolarHBondContact O-CB 3.3Å; L756-S760 PolarHBondContact O-N 3.24Å; L756-S760 PolarHBondContact O-OG 2.79Å
757	M	35.2	Very low	34.4	Very low	43 Å²	43	99.5 Å²	99.5	21%	0.212	53%	0.527	C	S	.	.	H	α-helix	trans	-57.2	-41.4	174.7	-94.4	-108.5	-146.6	0	0	112.3	F739 F753 L754 W782	F739-M757 HydrophobicContact CE2-CE 3.61Å; F739-M757 HydrophobicContact CZ-CE 3.52Å; F753-M757 HydrophobicContact CE1-CE 4.18Å; F753-M757 HydrophobicContact CE1-CG 4.24Å; F753-M757 HydrophobicContact CZ-CE 4.46Å; F753-M757 PolarHBondContact O-N 2.87Å; L754-M757 PolarHBondContact O-N 3.04Å; M757-W782 HydrophobicContact CE-CZ2 3.99Å; M757-W782 HydrophobicContact SD-CZ2 3.95Å
758	V	37.3	Very low	34.4	Very low	98 Å²	98	98.8 Å²	98.8	59%	0.594	51%	0.514	S	S	*	.	H	α-helix	trans	-75.9	-35.7	179	177.5	0	0	0	0	111.8	L754 L756 W814	L754-V758 WeakPolarHBondContact O-CG2 3.45Å; L754-V758 PolarHBondContact O-N 3.41Å; L756-V758 VanDerWaalsContact C-N 3.29Å; L756-V758 PolarHBondContact O-N 2.85Å; V758-W814 HydrophobicContact CG2-CH2 4.4Å
759	K	31.3	Very low	34.8	Very low	174 Å²	174	93.6 Å²	93.6	76%	0.757	49%	0.485	S	S	*	.	H	α-helix	trans	-83	-26.2	179	-78.2	-174.8	172.6	-176.4	0	113.9	K755 L756 N761	K755-K759 WeakPolarHBondContact O-CB 3.36Å; K755-K759 VanDerWaalsContact O-CG 3.3Å; K755-K759 WeakPolarHBondContact O-CG 3.42Å; K755-K759 PolarHBondContact O-N 2.79Å; L756-K759 PolarHBondContact O-N 2.78Å; K759-N761 PolarHBondContact O-N 2.63Å
760	S	29.6	Very low	35	Very low	65 Å²	65	96 Å²	96	46%	0.455	49%	0.492	S	S	.	.	S	Bend	trans	-77.4	-5.2	-164.4	68.5	0	0	0	0	114.2	L756	L756-S760 WeakPolarHBondContact O-CA 3.32Å; L756-S760 WeakPolarHBondContact O-CB 3.3Å; L756-S760 PolarHBondContact O-N 3.24Å; L756-S760 PolarHBondContact O-OG 2.79Å
761	N	29.5	Very low	35.2	Very low	85 Å²	85	90 Å²	90	46%	0.455	47%	0.466	S	S	.	.			trans	-143.6	113.7	173.2	-80.3	-35.7	0	0	0	111	K759 S763	K759-N761 PolarHBondContact O-N 2.63Å; N761-S763 CarbonylContact O-C 3.6Å; N761-S763 PolarHBondContact O-N 2.8Å
762	N	33.5	Very low	35.3	Very low	181 Å²	181	86.4 Å²	86.4	97%	0.968	46%	0.455	S	S	*	.	S	Bend	trans	-61.4	6.1	161.7	-82.4	-25.8	0	0	0	113.3
763	S	33.4	Very low	35.3	Very low	65 Å²	65	85.6 Å²	85.6	46%	0.455	45%	0.451	S	S	.	.	S	Bend	trans	-106	112.7	164.4	58.5	0	0	0	0	108.1	N761 N765	N761-S763 CarbonylContact O-C 3.6Å; N761-S763 PolarHBondContact O-N 2.8Å; S763-N765 PolarHBondContact O-N 2.84Å
764	N	33.4	Very low	35.2	Very low	135 Å²	135	86.7 Å²	86.7	72%	0.722	46%	0.462	S	S	*	.			trans	-60.6	20.2	178.7	-71.7	-22.3	0	0	0	115.6
765	N	33.4	Very low	35	Very low	130 Å²	130	93.5 Å²	93.5	70%	0.695	49%	0.492	S	S	*	.			trans	-109.3	104.8	-176	-65.5	-4.9	0	0	0	108.7	S763	S763-N765 PolarHBondContact O-N 2.84Å
766	G	36.4	Very low	35.3	Very low	23 Å²	23	91.1 Å²	91.1	24%	0.237	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-60.5	159.5	177.1	0	0	0	0	0	113.8	W782	G766-W782 PolarHBondContact N-O 2.81Å
767	Q	38.7	Very low	35.9	Very low	93 Å²	93	88 Å²	88	44%	0.435	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-60.8	148.6	-173.6	-70.8	171.3	-21.9	0	0	113.8	F769 W782	Q767-F769 HydrophobicContact CB-CE2 4.24Å; Q767-W782 HydrophobicContact CB-CH2 3.89Å; Q767-W782 HydrophobicContact CB-CZ2 4.24Å; Q767-W782 WeakPolarHBondContact O-CH2 3.39Å; Q767-W782 WeakPolarHBondContact O-CZ3 3.3Å
768	L	35	Very low	36.7	Very low	95 Å²	95	86.3 Å²	86.3	50%	0.497	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-82.3	124	176.4	-70.6	153.1	0	0	0	110.8	K779	L768-K779 HydrophobicContact CD2-CD 3.63Å; L768-K779 HydrophobicContact CD2-CG 3.94Å
769	F	40.8	Very low	37.7	Very low	28 Å²	28	84.4 Å²	84.4	12%	0.123	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.3	166.4	-73.4	-73.9	0	0	0	111	Q700 I738 F739 Q767 K779 F780 W782	Q700-F769 HydrophobicContact CG-CE1 4.4Å; I738-F769 HydrophobicContact CG2-CD1 4.49Å; F739-F769 HydrophobicContact CE1-CE1 4.2Å; F739-F769 HydrophobicContact CE1-CE2 4.18Å; F739-F769 AromaticContact CE1-CZ 3.43Å; F739-F769 HydrophobicContact CE1-CZ 3.43Å; F739-F769 VanDerWaalsContact CE1-CZ 3.43Å; F739-F769 AromaticContact CE2-CE2 3.98Å; F739-F769 HydrophobicContact CE2-CE2 3.98Å; F739-F769 HydrophobicContact CE2-CZ 4.04Å; F739-F769 HydrophobicContact CZ-CE1 4.23Å; F739-F769 AromaticContact CZ-CE2 3.42Å; F739-F769 HydrophobicContact CZ-CE2 3.42Å; F739-F769 VanDerWaalsContact CZ-CE2 3.42Å; F739-F769 AromaticContact CZ-CZ 3.14Å; F739-F769 HydrophobicContact CZ-CZ 3.14Å; Q767-F769 HydrophobicContact CB-CE2 4.24Å; F769-K779 WeakPolarHBondContact O-CA 3.4Å; F769-F780 HydrophobicContact CB-CD2 4.41Å; F769-W782 AromaticContact CD2-CH2 3.89Å; F769-W782 HydrophobicContact CD2-CH2 3.89Å; F769-W782 AromaticContact CD2-CZ3 3.96Å; F769-W782 HydrophobicContact CD2-CZ3 3.96Å; F769-W782 AromaticContact CE2-CH2 3.66Å; F769-W782 HydrophobicContact CE2-CH2 3.66Å; F769-W782 HydrophobicContact CE2-CZ3 4.2Å
770	Y	34.9	Very low	39.1	Very low	124 Å²	124	76.9 Å²	76.9	49%	0.486	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	122	170.9	-72.6	-89.4	0	0	0	108.9
771	C	37.3	Very low	40.6	Very low	15 Å²	15	77 Å²	77	10%	0.101	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.7	169.4	-162	0	0	0	0	109.2	L773 S777 V778 F780	C771-L773 WeakPolarHBondContact SG-CD1 3.36Å; C771-L773 VanDerWaalsContact SG-CG 3.52Å; C771-S777 WeakPolarHBondContact O-CA 3.3Å; C771-V778 HydrophobicContact CB-CB 4.11Å; C771-V778 PolarHBondContact N-O 3.09Å; C771-V778 PolarHBondContact O-N 3Å; C771-F780 HydrophobicContact CB-CE2 4.44Å
772	C	35.9	Very low	42.2	Very low	64 Å²	64	73.7 Å²	73.7	43%	0.432	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	74.6	174.6	-77.1	0	0	0	0	109.7	M639	M639-C772 HydrophobicContact CE-CB 3.77Å
773	L	35.6	Very low	43.4	Very low	57 Å²	57	67.3 Å²	67.3	30%	0.298	36%	0.357	S	S	.	.	S	Bend	trans	-96.2	-16.5	177.8	-73.1	170.9	0	0	0	113.4	C694 L695 C771	C694-L773 HydrophobicContact CB-CD2 4.08Å; C694-L773 WeakPolarHBondContact O-CD2 3.38Å; L695-L773 HydrophobicContact CG-CD1 4.35Å; C771-L773 WeakPolarHBondContact SG-CD1 3.36Å; C771-L773 VanDerWaalsContact SG-CG 3.52Å
774	T	36.5	Very low	44.4	Very low	80 Å²	80	66.4 Å²	66.4	49%	0.491	35%	0.349	S	S	.	.	S	Bend	trans	-149.2	28.1	-175.6	53	0	0	0	0	112.6	Q776	T774-Q776 PolarHBondContact O-N 2.79Å; T774-Q776 VanDerWaalsContact O-N 3.08Å; T774-Q776 WeakPolarHBondContact OG1-CB 3.27Å; T774-Q776 WeakPolarHBondContact OG1-CG 3.48Å; T774-Q776 PolarHBondContact OG1-OE1 2.98Å
775	H	33.7	Very low	45.1	Very low	190 Å²	190	63 Å²	63	88%	0.88	33%	0.331	S	S	*	.	S	Bend	trans	57.9	4.7	-158.2	-72	-80.4	0	0	0	114.9
776	Q	44.9	Very low	45.6	Very low	59 Å²	59	62.7 Å²	62.7	28%	0.276	33%	0.329	S	S	.	.			trans	-97.6	120.1	177.5	-61.4	173.7	-8.3	0	0	109.9	T774 V778 C822 T825	T774-Q776 PolarHBondContact O-N 2.79Å; T774-Q776 VanDerWaalsContact O-N 3.08Å; T774-Q776 WeakPolarHBondContact OG1-CB 3.27Å; T774-Q776 WeakPolarHBondContact OG1-CG 3.48Å; T774-Q776 PolarHBondContact OG1-OE1 2.98Å; Q776-V778 PolarHBondContact O-N 2.95Å; Q776-C822 VanDerWaalsContact CD-CB 3.47Å; Q776-T825 PolarHBondContact OE1-OG1 3.11Å
777	S	47.7	Very low	45.6	Very low	44 Å²	44	66.4 Å²	66.4	31%	0.308	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	115.5	171.4	43.4	0	0	0	0	110.1	C771	C771-S777 WeakPolarHBondContact O-CA 3.3Å
778	V	52.1	Low	45.3	Very low	8 Å²	8	66.3 Å²	66.3	5%	0.048	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125	160.5	-174.1	0	0	0	0	107.7	C771 Q776 F780 I818 S819 T825	C771-V778 HydrophobicContact CB-CB 4.11Å; C771-V778 PolarHBondContact N-O 3.09Å; C771-V778 PolarHBondContact O-N 3Å; Q776-V778 PolarHBondContact O-N 2.95Å; V778-F780 HydrophobicContact CB-CE2 4.33Å; V778-F780 HydrophobicContact CB-CZ 4.45Å; V778-F780 HydrophobicContact CG1-CD2 4.47Å; V778-F780 HydrophobicContact CG1-CE1 4.04Å; V778-F780 HydrophobicContact CG1-CE2 3.91Å; V778-F780 HydrophobicContact CG1-CZ 3.68Å; V778-I818 HydrophobicContact CG1-CG2 3.65Å; V778-S819 CarbonylContact C-O 3.42Å; V778-S819 VanDerWaalsContact CA-O 3.31Å; V778-S819 WeakPolarHBondContact CA-O 3.31Å; V778-T825 HydrophobicContact CG2-CG2 3.73Å
779	K	58.3	Low	45.1	Very low	57 Å²	57	70.9 Å²	70.9	25%	0.248	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.6	173.8	160.4	179.4	171.7	176.2	0	109.3	L768 F769 E781 S819	L768-K779 HydrophobicContact CD2-CD 3.63Å; L768-K779 HydrophobicContact CD2-CG 3.94Å; F769-K779 WeakPolarHBondContact O-CA 3.4Å; K779-E781 VanDerWaalsContact CE-CG 3.45Å; K779-E781 WeakPolarHBondContact CE-OE1 3.07Å; K779-E781 HydrophobicContact CG-CG 4.49Å; K779-E781 IonicContact NZ-OE1 2.97Å; K779-E781 PolarHBondContact NZ-OE1 2.96Å; K779-E781 IonicContact NZ-OE2 3.53Å; K779-S819 PolarHBondContact N-O 3.21Å; K779-S819 WeakPolarHBondContact O-CB 3.42Å; K779-S819 PolarHBondContact O-N 3.45Å
780	F	60.9	Low	44.6	Very low	17 Å²	17	73.8 Å²	73.8	8%	0.075	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.7	172.3	-62.8	-74.4	0	0	0	109.6	F769 C771 V778 F816 I818 V829	F769-F780 HydrophobicContact CB-CD2 4.41Å; C771-F780 HydrophobicContact CB-CE2 4.44Å; V778-F780 HydrophobicContact CB-CE2 4.33Å; V778-F780 HydrophobicContact CB-CZ 4.45Å; V778-F780 HydrophobicContact CG1-CD2 4.47Å; V778-F780 HydrophobicContact CG1-CE1 4.04Å; V778-F780 HydrophobicContact CG1-CE2 3.91Å; V778-F780 HydrophobicContact CG1-CZ 3.68Å; F780-F816 HydrophobicContact CB-CE1 4.38Å; F780-F816 HydrophobicContact CB-CZ 4.18Å; F780-F816 HydrophobicContact CD1-CD1 4.22Å; F780-F816 AromaticContact CD1-CE1 3.29Å; F780-F816 HydrophobicContact CD1-CE1 3.29Å; F780-F816 AromaticContact CD1-CZ 3.81Å; F780-F816 HydrophobicContact CD1-CZ 3.81Å; F780-F816 AromaticContact CE1-CE1 3.82Å; F780-F816 HydrophobicContact CE1-CE1 3.82Å; F780-F816 HydrophobicContact CG-CE1 4.14Å; F780-F816 HydrophobicContact CG-CZ 4.23Å; F780-I818 HydrophobicContact CD1-CG1 4.09Å; F780-I818 HydrophobicContact CD1-CG2 4.2Å; F780-I818 HydrophobicContact CE1-CD1 4.24Å; F780-I818 HydrophobicContact CE1-CG1 4.11Å; F780-I818 HydrophobicContact CE1-CG2 3.84Å; F780-V829 HydrophobicContact CE1-CG1 3.98Å; F780-V829 HydrophobicContact CZ-CG1 4.19Å
781	E	60.5	Low	44.1	Very low	68 Å²	68	76.1 Å²	76.1	32%	0.318	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.4	166.9	-69.9	177.4	159.5	0	0	108.1	K779 T817	K779-E781 VanDerWaalsContact CE-CG 3.45Å; K779-E781 WeakPolarHBondContact CE-OE1 3.07Å; K779-E781 HydrophobicContact CG-CG 4.49Å; K779-E781 IonicContact NZ-OE1 2.97Å; K779-E781 PolarHBondContact NZ-OE1 2.96Å; K779-E781 IonicContact NZ-OE2 3.53Å; E781-T817 PolarHBondContact N-O 2.86Å; E781-T817 PolarHBondContact O-N 2.98Å
782	W	62.7	Low	43.6	Very low	15 Å²	15	83.6 Å²	83.6	6%	0.057	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150	174.4	58.8	88.6	0	0	0	111.1	F731 M757 G766 Q767 F769 W814 C815 F816	F731-W782 HydrophobicContact CE2-CB 3.97Å; F731-W782 AromaticContact CE2-CD1 3.72Å; F731-W782 HydrophobicContact CE2-CD2 4.05Å; F731-W782 AromaticContact CE2-CG 3.61Å; F731-W782 HydrophobicContact CE2-CG 3.61Å; F731-W782 AromaticContact CZ-CD1 3.51Å; F731-W782 HydrophobicContact CZ-CD2 4.29Å; F731-W782 AromaticContact CZ-CG 3.89Å; F731-W782 HydrophobicContact CZ-CG 3.89Å; F731-W782 AromaticContact CZ-NE1 3.69Å; M757-W782 HydrophobicContact CE-CZ2 3.99Å; M757-W782 HydrophobicContact SD-CZ2 3.95Å; G766-W782 PolarHBondContact N-O 2.81Å; Q767-W782 HydrophobicContact CB-CH2 3.89Å; Q767-W782 HydrophobicContact CB-CZ2 4.24Å; Q767-W782 WeakPolarHBondContact O-CH2 3.39Å; Q767-W782 WeakPolarHBondContact O-CZ3 3.3Å; F769-W782 AromaticContact CD2-CH2 3.89Å; F769-W782 HydrophobicContact CD2-CH2 3.89Å; F769-W782 AromaticContact CD2-CZ3 3.96Å; F769-W782 HydrophobicContact CD2-CZ3 3.96Å; F769-W782 AromaticContact CE2-CH2 3.66Å; F769-W782 HydrophobicContact CE2-CH2 3.66Å; F769-W782 HydrophobicContact CE2-CZ3 4.2Å; W782-W814 AromaticContact CD1-CZ3 3.85Å; W782-C815 CarbonylContact C-O 3.56Å; W782-C815 VanDerWaalsContact CA-O 3.27Å; W782-C815 WeakPolarHBondContact CA-O 3.03Å; W782-F816 HydrophobicContact CB-CD2 3.72Å; W782-F816 HydrophobicContact CB-CE2 4.1Å; W782-F816 HydrophobicContact CE3-CE2 4.05Å
783	S	60.2	Low	43	Very low	46 Å²	46	88.7 Å²	88.7	32%	0.322	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	149.8	173.3	57	0	0	0	0	109.6	N785 W814 C815	S783-N785 PolarHBondContact O-N 2.77Å; S783-W814 CarbonylContact O-C 3.54Å; S783-W814 WeakPolarHBondContact O-CA 3.4Å; S783-C815 PolarHBondContact N-O 3.34Å; S783-C815 PolarHBondContact O-N 2.85Å
784	V	53.5	Low	42.6	Very low	47 Å²	47	92.8 Å²	92.8	29%	0.285	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.3	171.6	-179.4	0	0	0	0	107.6	L786 N812 W814	V784-L786 PolarHBondContact O-N 2.79Å; V784-N812 HydrophobicContact CG1-CB 4.36Å; V784-W814 HydrophobicContact CG2-CD2 4.11Å; V784-W814 HydrophobicContact CG2-CE3 3.65Å; V784-W814 HydrophobicContact CG2-CH2 3.54Å; V784-W814 HydrophobicContact CG2-CZ2 4Å; V784-W814 HydrophobicContact CG2-CZ3 3.35Å
785	N	48.6	Very low	42	Very low	64 Å²	64	96 Å²	96	34%	0.342	48%	0.484	S	S	.	.			trans	-78.4	93.9	176.7	-156.3	4.2	0	0	0	108.4	S783 D787 T813 C815	S783-N785 PolarHBondContact O-N 2.77Å; N785-D787 PolarHBondContact O-N 2.9Å; N785-T813 VanDerWaalsContact CB-O 3.27Å; N785-T813 WeakPolarHBondContact CB-O 3.48Å; N785-T813 PolarHBondContact N-O 2.76Å; N785-C815 HydrophobicContact CB-CB 4.49Å
786	L	42.3	Very low	41.7	Very low	123 Å²	123	93.2 Å²	93.2	64%	0.644	48%	0.475	S	S	*	.			trans	-77.1	101.1	172.3	-70.6	167.8	0	0	0	107.6	V784 P788	V784-L786 PolarHBondContact O-N 2.79Å; L786-P788 VanDerWaalsContact O-CD 3.25Å; L786-P788 WeakPolarHBondContact O-CD 3.31Å
787	D	36.6	Very low	40.9	Very low	101 Å²	101	99.9 Å²	99.9	54%	0.54	50%	0.503	S	S	.	.			trans	-54.8	111	-178.5	-141.3	-10.2	0	0	0	110	N785 F789 S790	N785-D787 PolarHBondContact O-N 2.9Å; D787-F789 PolarHBondContact O-N 2.85Å; D787-F789 VanDerWaalsContact O-N 3.11Å; D787-S790 PolarHBondContact O-N 2.93Å; D787-S790 PolarHBondContact O-OG 2.97Å
788	P	32.5	Very low	39.8	Very low	91 Å²	91	107.5 Å²	107.5	59%	0.591	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-66	-19.9	-171.7	23.1	-31.3	0	0	0	112.6	L786 S790 F791	L786-P788 VanDerWaalsContact O-CD 3.25Å; L786-P788 WeakPolarHBondContact O-CD 3.31Å; P788-S790 PolarHBondContact O-N 2.83Å; P788-F791 PolarHBondContact O-N 3.38Å
789	F	31.1	Very low	38.5	Very low	190 Å²	190	110.4 Å²	110.4	83%	0.833	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-74	-6.2	176.2	-71.8	-76.3	0	0	0	114.2	D787	D787-F789 PolarHBondContact O-N 2.85Å; D787-F789 VanDerWaalsContact O-N 3.11Å
790	S	30.6	Very low	37	Very low	90 Å²	90	116.3 Å²	116.3	63%	0.629	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-83.2	-9.9	172.3	63.4	0	0	0	0	113.6	D787 P788 K792	D787-S790 PolarHBondContact O-N 2.93Å; D787-S790 PolarHBondContact O-OG 2.97Å; P788-S790 PolarHBondContact O-N 2.83Å; S790-K792 PolarHBondContact O-N 3.43Å
791	F	25.1	Very low	35.3	Very low	172 Å²	172	122.7 Å²	122.7	75%	0.754	64%	0.635	S	S	*	*			trans	-80.2	65.4	168	-84.7	-85.2	0	0	0	111.1	P788 Q793	P788-F791 PolarHBondContact O-N 3.38Å; F791-Q793 VanDerWaalsContact C-N 3.32Å; F791-Q793 PolarHBondContact O-N 3Å; F791-Q793 VanDerWaalsContact O-N 3.07Å
792	K	25.5	Very low	33.6	Very low	173 Å²	173	123.2 Å²	123.2	75%	0.752	65%	0.646	S	S	*	*			trans	-69.4	102	151.4	-80.4	-172.9	176.9	-179.8	0	106.4	S790 E794	S790-K792 PolarHBondContact O-N 3.43Å; K792-E794 PolarHBondContact O-N 3.43Å
793	Q	24.6	Very low	31.7	Very low	171 Å²	171	129.9 Å²	129.9	80%	0.799	68%	0.682	S	S	*	*			trans	-57.9	79.9	159.8	-81.2	178.5	-15.5	0	0	108.4	F791 N795	F791-Q793 VanDerWaalsContact C-N 3.32Å; F791-Q793 PolarHBondContact O-N 3Å; F791-Q793 VanDerWaalsContact O-N 3.07Å; Q793-N795 PolarHBondContact O-N 2.98Å
794	E	26.7	Very low	30.1	Very low	143 Å²	143	134.1 Å²	134.1	67%	0.668	70%	0.7	S	S	*	*			trans	-79.5	102.7	156.5	-78.5	-170.7	177.1	0	0	106.3	K792 N796	K792-E794 PolarHBondContact O-N 3.43Å; E794-N796 PolarHBondContact O-N 3.12Å
795	N	24.2	Very low	28.7	Very low	148 Å²	148	137.8 Å²	137.8	79%	0.791	72%	0.718	S	S	*	*			trans	-56.1	75.2	167.2	-73.4	-34.6	0	0	0	109.9	Q793	Q793-N795 PolarHBondContact O-N 2.98Å
796	N	28	Very low	27.6	Very low	130 Å²	130	140.1 Å²	140.1	70%	0.695	73%	0.731	S	S	*	*			trans	-102.6	126.6	173	-74.7	-22.5	0	0	0	109.2	E794	E794-N796 PolarHBondContact O-N 3.12Å
797	K	27.5	Very low	26.8	Very low	199 Å²	199	141 Å²	141	87%	0.865	74%	0.736	S	S	*	*			trans	-58.2	147.3	-164.4	-66.9	168.8	175.8	174.3	0	112.1	G799	K797-G799 PolarHBondContact O-N 3.35Å
798	E	24.4	Very low	26.3	Very low	205 Å²	205	143.5 Å²	143.5	96%	0.958	75%	0.75	S	S	*	*	S	Bend	trans	-40	127.2	165.2	-63.9	171.6	151	0	0	111.7
799	G	25.6	Very low	26.2	Very low	69 Å²	69	147.3 Å²	147.3	71%	0.711	75%	0.753	S	S	*	*			trans	104.8	69.7	163.3	0	0	0	0	0	115	K797	K797-G799 PolarHBondContact O-N 3.35Å
800	E	25.5	Very low	26.5	Very low	180 Å²	180	142.7 Å²	142.7	84%	0.841	74%	0.744	S	S	*	*			trans	-161.6	97.8	142.4	-108.4	164.3	-149.8	0	0	108.6	S802	E800-S802 PolarHBondContact O-N 3.25Å
801	T	26.3	Very low	27.1	Very low	152 Å²	152	143.2 Å²	143.2	93%	0.933	75%	0.748	S	S	*	*			trans	-71.6	65.7	167	48.7	0	0	0	0	108.8
802	S	24.4	Very low	28.3	Very low	79 Å²	79	137.4 Å²	137.4	55%	0.552	73%	0.725	S	S	*	*			trans	-87.3	124.2	165.7	58.8	0	0	0	0	107.6	E800 I804	E800-S802 PolarHBondContact O-N 3.25Å; S802-I804 VanDerWaalsContact C-N 3.26Å; S802-I804 PolarHBondContact O-N 3.12Å
803	N	23.5	Very low	29.7	Very low	154 Å²	154	131.3 Å²	131.3	82%	0.824	70%	0.702	S	S	*	*			trans	-44.4	90.3	166.3	-73.1	-28.4	0	0	0	110	D805	N803-D805 PolarHBondContact O-N 3.24Å
804	I	25	Very low	31.5	Very low	135 Å²	135	124.1 Å²	124.1	69%	0.692	67%	0.668	S	S	*	*			trans	-71.8	98.7	157.8	-63.3	173.9	0	0	0	102.6	S802 N806	S802-I804 VanDerWaalsContact C-N 3.26Å; S802-I804 PolarHBondContact O-N 3.12Å; I804-N806 VanDerWaalsContact C-N 3.28Å; I804-N806 PolarHBondContact O-N 3.39Å
805	D	25.6	Very low	33.2	Very low	124 Å²	124	118.3 Å²	118.3	66%	0.663	64%	0.643	S	S	*	*			trans	-46.7	102.7	161	-75.3	-36.9	0	0	0	106.6	N803 N807	N803-D805 PolarHBondContact O-N 3.24Å; D805-N807 PolarHBondContact O-N 3.5Å
806	N	25.3	Very low	35.1	Very low	113 Å²	113	111.3 Å²	111.3	60%	0.604	61%	0.606	S	S	*	*			trans	-69	42.7	178.9	-83.3	-24.2	0	0	0	111.1	I804 N808 Y809	I804-N806 VanDerWaalsContact C-N 3.28Å; I804-N806 PolarHBondContact O-N 3.39Å; N806-N808 VanDerWaalsContact C-N 3.27Å; N806-Y809 HydrophobicContact CB-CE2 4.48Å; N806-Y809 VanDerWaalsContact O-CD2 3.3Å; N806-Y809 WeakPolarHBondContact O-CD2 3.37Å; N806-Y809 WeakPolarHBondContact O-CE2 3.16Å
807	N	25.8	Very low	36.9	Very low	141 Å²	141	105.8 Å²	105.8	75%	0.754	58%	0.576	S	S	*	*			trans	-84.2	-2.8	176.4	-74.2	-16.4	0	0	0	112.4	D805 Y809	D805-N807 PolarHBondContact O-N 3.5Å; N807-Y809 VanDerWaalsContact C-N 3.28Å; N807-Y809 PolarHBondContact O-N 3.1Å
808	N	25.8	Very low	38.9	Very low	155 Å²	155	96.3 Å²	96.3	83%	0.829	54%	0.535	S	S	*	.			trans	-91.5	47.3	172.1	-74.9	-9.7	0	0	0	112.1	N806 S810	N806-N808 VanDerWaalsContact C-N 3.27Å; N808-S810 PolarHBondContact O-N 2.94Å
809	Y	29.6	Very low	40.7	Very low	170 Å²	170	86.9 Å²	86.9	67%	0.667	49%	0.492	S	S	*	.			trans	-70.2	79.5	156.1	-74.4	-73.1	0	0	0	107.5	N806 N807 S811	N806-Y809 HydrophobicContact CB-CE2 4.48Å; N806-Y809 VanDerWaalsContact O-CD2 3.3Å; N806-Y809 WeakPolarHBondContact O-CD2 3.37Å; N806-Y809 WeakPolarHBondContact O-CE2 3.16Å; N807-Y809 VanDerWaalsContact C-N 3.28Å; N807-Y809 PolarHBondContact O-N 3.1Å; Y809-S811 PolarHBondContact O-N 3.09Å
810	S	37.2	Very low	42.4	Very low	93 Å²	93	83.6 Å²	83.6	65%	0.65	46%	0.458	S	S	*	.			trans	-55.8	104.6	166.4	53.3	0	0	0	0	107.7	N808 N812	N808-S810 PolarHBondContact O-N 2.94Å; S810-N812 PolarHBondContact O-N 2.82Å
811	S	43.8	Very low	43.6	Very low	102 Å²	102	78.1 Å²	78.1	71%	0.713	43%	0.434	S	S	*	.			trans	19.3	77.8	167.3	58.8	0	0	0	0	114.1	Y809 T813	Y809-S811 PolarHBondContact O-N 3.09Å; S811-T813 PolarHBondContact O-N 2.98Å
812	N	50.1	Low	45	Very low	49 Å²	49	72.4 Å²	72.4	26%	0.262	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-57	118.6	176.9	-75.1	-12.5	0	0	0	108.2	D728 V784 S810	D728-N812 PolarHBondContact N-O 2.86Å; V784-N812 HydrophobicContact CG1-CB 4.36Å; S810-N812 PolarHBondContact O-N 2.82Å
813	T	55.3	Low	46.4	Very low	45 Å²	45	73.6 Å²	73.6	28%	0.276	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	129.9	168	34.4	0	0	0	0	107.2	N785 S811	N785-T813 VanDerWaalsContact CB-O 3.27Å; N785-T813 WeakPolarHBondContact CB-O 3.48Å; N785-T813 PolarHBondContact N-O 2.76Å; S811-T813 PolarHBondContact O-N 2.98Å
814	W	62.1	Low	47.7	Very low	21 Å²	21	72.5 Å²	72.5	8%	0.08	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.2	177.4	-64.5	80.5	0	0	0	108.5	N725 I726 D728 F731 V758 W782 S783 V784	N725-W814 CarbonylContact C-O 3.58Å; N725-W814 VanDerWaalsContact CA-O 3.31Å; N725-W814 WeakPolarHBondContact CA-O 3.38Å; I726-W814 HydrophobicContact CD1-CB 4.45Å; I726-W814 HydrophobicContact CG1-CB 3.88Å; I726-W814 PolarHBondContact N-O 2.82Å; I726-W814 PolarHBondContact O-N 3.4Å; D728-W814 PolarHBondContact OD1-NE1 3.12Å; F731-W814 HydrophobicContact CB-CB 4.47Å; F731-W814 HydrophobicContact CB-CG 4.09Å; F731-W814 AromaticContact CD1-CD2 3.69Å; F731-W814 HydrophobicContact CD1-CD2 3.69Å; F731-W814 AromaticContact CD1-CE2 3.51Å; F731-W814 HydrophobicContact CD1-CE3 4.16Å; F731-W814 HydrophobicContact CD1-CG 4.07Å; F731-W814 HydrophobicContact CD1-CH2 4.29Å; F731-W814 AromaticContact CD1-CZ2 3.84Å; F731-W814 HydrophobicContact CD1-CZ2 3.84Å; F731-W814 HydrophobicContact CD1-CZ3 4.43Å; F731-W814 AromaticContact CD1-NE1 3.74Å; F731-W814 HydrophobicContact CD2-CB 4.41Å; F731-W814 HydrophobicContact CD2-CD2 4.32Å; F731-W814 HydrophobicContact CD2-CE3 4.49Å; F731-W814 HydrophobicContact CD2-CG 4.3Å; F731-W814 AromaticContact CE1-CD2 3.83Å; F731-W814 HydrophobicContact CE1-CD2 3.83Å; F731-W814 AromaticContact CE1-CE2 3.74Å; F731-W814 AromaticContact CE1-CE3 3.82Å; F731-W814 HydrophobicContact CE1-CE3 3.82Å; F731-W814 AromaticContact CE1-CH2 3.67Å; F731-W814 HydrophobicContact CE1-CH2 3.67Å; F731-W814 AromaticContact CE1-CZ2 3.67Å; F731-W814 HydrophobicContact CE1-CZ2 3.67Å; F731-W814 AromaticContact CE1-CZ3 3.73Å; F731-W814 HydrophobicContact CE1-CZ3 3.73Å; F731-W814 HydrophobicContact CE2-CD2 4.41Å; F731-W814 HydrophobicContact CE2-CE3 4.15Å; F731-W814 HydrophobicContact CG-CB 4.38Å; F731-W814 AromaticContact CG-CD2 3.94Å; F731-W814 HydrophobicContact CG-CD2 3.94Å; F731-W814 HydrophobicContact CG-CE3 4.48Å; F731-W814 AromaticContact CG-CG 3.89Å; F731-W814 HydrophobicContact CG-CG 3.89Å; F731-W814 HydrophobicContact CZ-CD2 4.19Å; F731-W814 AromaticContact CZ-CE3 3.8Å; F731-W814 HydrophobicContact CZ-CE3 3.8Å; F731-W814 HydrophobicContact CZ-CH2 4.2Å; F731-W814 AromaticContact CZ-CZ3 3.81Å; F731-W814 HydrophobicContact CZ-CZ3 3.81Å; V758-W814 HydrophobicContact CG2-CH2 4.4Å; W782-W814 AromaticContact CD1-CZ3 3.85Å; S783-W814 CarbonylContact O-C 3.54Å; S783-W814 WeakPolarHBondContact O-CA 3.4Å; V784-W814 HydrophobicContact CG2-CD2 4.11Å; V784-W814 HydrophobicContact CG2-CE3 3.65Å; V784-W814 HydrophobicContact CG2-CH2 3.54Å; V784-W814 HydrophobicContact CG2-CZ2 4Å; V784-W814 HydrophobicContact CG2-CZ3 3.35Å
815	C	62.6	Low	49	Very low	21 Å²	21	67.7 Å²	67.7	14%	0.142	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	111.7	169	-178.8	0	0	0	0	108.2	W782 S783 N785	W782-C815 CarbonylContact C-O 3.56Å; W782-C815 VanDerWaalsContact CA-O 3.27Å; W782-C815 WeakPolarHBondContact CA-O 3.03Å; S783-C815 PolarHBondContact N-O 3.34Å; S783-C815 PolarHBondContact O-N 2.85Å; N785-C815 HydrophobicContact CB-CB 4.49Å
816	F	64.9	Low	50.6	Low	1 Å²	1	62.1 Å²	62.1	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	112.6	179.7	-151.4	-105.1	0	0	0	109.2	H723 I724 I726 F731 I734 F780 W782 I818 I833	H723-F816 CarbonylContact C-O 3.49Å; H723-F816 WeakPolarHBondContact CA-O 3.42Å; I724-F816 PolarHBondContact N-O 3.01Å; I724-F816 WeakPolarHBondContact O-CB 3.34Å; I724-F816 PolarHBondContact O-N 2.81Å; I726-F816 HydrophobicContact CD1-CB 3.75Å; I726-F816 HydrophobicContact CD1-CD2 3.56Å; I726-F816 HydrophobicContact CD1-CE2 4.31Å; I726-F816 HydrophobicContact CD1-CG 3.76Å; I726-F816 HydrophobicContact CG1-CB 4.11Å; F731-F816 HydrophobicContact CD2-CD2 4.19Å; F731-F816 HydrophobicContact CD2-CE2 4.2Å; F731-F816 HydrophobicContact CE2-CD2 4.28Å; F731-F816 HydrophobicContact CE2-CE2 4.1Å; I734-F816 HydrophobicContact CG2-CZ 4.19Å; F780-F816 HydrophobicContact CB-CE1 4.38Å; F780-F816 HydrophobicContact CB-CZ 4.18Å; F780-F816 HydrophobicContact CD1-CD1 4.22Å; F780-F816 AromaticContact CD1-CE1 3.29Å; F780-F816 HydrophobicContact CD1-CE1 3.29Å; F780-F816 AromaticContact CD1-CZ 3.81Å; F780-F816 HydrophobicContact CD1-CZ 3.81Å; F780-F816 AromaticContact CE1-CE1 3.82Å; F780-F816 HydrophobicContact CE1-CE1 3.82Å; F780-F816 HydrophobicContact CG-CE1 4.14Å; F780-F816 HydrophobicContact CG-CZ 4.23Å; W782-F816 HydrophobicContact CB-CD2 3.72Å; W782-F816 HydrophobicContact CB-CE2 4.1Å; W782-F816 HydrophobicContact CE3-CE2 4.05Å; F816-I818 HydrophobicContact CD1-CD1 4.14Å; F816-I818 HydrophobicContact CD1-CG1 3.83Å; F816-I818 HydrophobicContact CE1-CD1 4.5Å; F816-I818 HydrophobicContact CE1-CG1 4.26Å; F816-I833 HydrophobicContact CD1-CD1 4.25Å; F816-I833 HydrophobicContact CE1-CD1 4.32Å
817	T	65.3	Low	52	Low	13 Å²	13	62.2 Å²	62.2	8%	0.08	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.8	178.9	-52.7	0	0	0	0	109.3	T721 M722 H723 E781	T721-T817 HydrophobicContact CG2-CG2 3.61Å; M722-T817 CarbonylContact O-C 3.6Å; M722-T817 WeakPolarHBondContact O-CA 3.25Å; H723-T817 WeakPolarHBondContact CE1-CG2 3.41Å; H723-T817 PolarHBondContact CE1-OG1 2.82Å; H723-T817 VanDerWaalsContact CE1-OG1 3.29Å; H723-T817 PolarHBondContact ND1-OG1 2.78Å; E781-T817 PolarHBondContact N-O 2.86Å; E781-T817 PolarHBondContact O-N 2.98Å
818	I	69.4	Low	53.2	Low	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.1	178.6	-47.7	-178.7	0	0	0	107.7	T721 M722 I724 V778 F780 F816 L826 V829 I833	T721-I818 CarbonylContact C-O 3.57Å; T721-I818 VanDerWaalsContact CA-O 3.28Å; T721-I818 WeakPolarHBondContact CA-O 3.45Å; M722-I818 PolarHBondContact N-O 3.28Å; M722-I818 PolarHBondContact O-N 3.23Å; I724-I818 HydrophobicContact CD1-CD1 3.49Å; I724-I818 VanDerWaalsContact CD1-CD1 3.49Å; I724-I818 HydrophobicContact CD1-CG1 4.41Å; I724-I818 HydrophobicContact CG1-CD1 4.38Å; V778-I818 HydrophobicContact CG1-CG2 3.65Å; F780-I818 HydrophobicContact CD1-CG1 4.09Å; F780-I818 HydrophobicContact CD1-CG2 4.2Å; F780-I818 HydrophobicContact CE1-CD1 4.24Å; F780-I818 HydrophobicContact CE1-CG1 4.11Å; F780-I818 HydrophobicContact CE1-CG2 3.84Å; F816-I818 HydrophobicContact CD1-CD1 4.14Å; F816-I818 HydrophobicContact CD1-CG1 3.83Å; F816-I818 HydrophobicContact CE1-CD1 4.5Å; F816-I818 HydrophobicContact CE1-CG1 4.26Å; I818-L826 HydrophobicContact CB-CD1 4.13Å; I818-L826 HydrophobicContact CG2-CD1 3.87Å; I818-L826 WeakPolarHBondContact O-CD1 3.35Å; I818-V829 HydrophobicContact CD1-CG1 3.71Å; I818-V829 HydrophobicContact CG2-CG1 4.26Å; I818-I833 HydrophobicContact CD1-CD1 3.41Å; I818-I833 VanDerWaalsContact CD1-CD1 3.41Å
819	S	61.9	Low	54.8	Low	7 Å²	7	50.6 Å²	50.6	5%	0.049	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	120.3	-172.2	-79.8	0	0	0	0	108.7	H720 T721 V778 K779	H720-S819 WeakPolarHBondContact O-CA 3.43Å; T721-S819 WeakPolarHBondContact CG2-OG 3.44Å; V778-S819 CarbonylContact C-O 3.42Å; V778-S819 VanDerWaalsContact CA-O 3.31Å; V778-S819 WeakPolarHBondContact CA-O 3.31Å; K779-S819 PolarHBondContact N-O 3.21Å; K779-S819 WeakPolarHBondContact O-CB 3.42Å; K779-S819 PolarHBondContact O-N 3.45Å
820	S	60.5	Low	56.3	Low	1 Å²	1	43.8 Å²	43.8	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148	178.9	173.8	0	0	0	0	110.9	H720 C822	H720-S820 WeakPolarHBondContact CB-O 3.34Å; H720-S820 PolarHBondContact N-O 2.88Å; H720-S820 PolarHBondContact O-N 2.94Å; S820-C822 VanDerWaalsContact C-N 3.27Å; S820-C822 PolarHBondContact OG-N 3.21Å; S820-C822 PolarHBondContact OG-O 3.32Å
821	I	52.2	Low	57.1	Low	64 Å²	64	45 Å²	45	33%	0.328	24%	0.236	S	C	.	.	S	Bend	trans	-69.5	-31.8	170.9	-57.7	170.4	0	0	0	110	M716 H720	M716-I821 HydrophobicContact CB-CD1 4.42Å; M716-I821 HydrophobicContact CG-CD1 3.91Å; M716-I821 HydrophobicContact SD-CD1 4.19Å; H720-I821 PolarHBondContact ND1-O 3.25Å; H720-I821 VanDerWaalsContact ND1-O 3.13Å
822	C	55.1	Low	57.6	Low	32 Å²	32	42 Å²	42	22%	0.216	22%	0.218	C	C	.	.			trans	-101.1	122	-179.4	179.7	0	0	0	0	111.9	Q776 S820 Q824 T825 L826	Q776-C822 VanDerWaalsContact CD-CB 3.47Å; S820-C822 VanDerWaalsContact C-N 3.27Å; S820-C822 PolarHBondContact OG-N 3.21Å; S820-C822 PolarHBondContact OG-O 3.32Å; C822-Q824 VanDerWaalsContact C-N 3.34Å; C822-Q824 PolarHBondContact O-N 2.99Å; C822-T825 WeakPolarHBondContact CB-OG1 3.27Å; C822-T825 PolarHBondContact O-N 3.41Å; C822-T825 PolarHBondContact SG-OG1 2.58Å; C822-T825 VanDerWaalsContact SG-OG1 3.38Å; C822-L826 PolarHBondContact O-N 3.13Å; C822-L826 VanDerWaalsContact O-N 3.12Å
823	L	53.5	Low	58.1	Low	104 Å²	104	40.2 Å²	40.2	55%	0.545	21%	0.208	S	C	.	.	H	α-helix	trans	-63.8	-35.9	177	-174.7	67.3	0	0	0	112.6	H720 L826 W827	H720-L823 HydrophobicContact CB-CD1 4.39Å; L823-L826 HydrophobicContact CD1-CD2 4.12Å; L823-L826 VanDerWaalsContact O-CB 3.31Å; L823-L826 WeakPolarHBondContact O-CB 3.34Å; L823-L826 PolarHBondContact O-N 2.97Å; L823-W827 PolarHBondContact O-N 2.8Å
824	Q	50.3	Low	58.4	Low	132 Å²	132	39.8 Å²	39.8	62%	0.617	20%	0.203	S	C	*	.	H	α-helix	trans	-64.2	-45	178	-172	68.3	11.5	0	0	111	C822 L826 W827 S828	C822-Q824 VanDerWaalsContact C-N 3.34Å; C822-Q824 PolarHBondContact O-N 2.99Å; Q824-L826 VanDerWaalsContact C-N 3.31Å; Q824-L826 PolarHBondContact O-N 2.75Å; Q824-W827 PolarHBondContact O-N 3.07Å; Q824-S828 PolarHBondContact O-N 3.34Å; Q824-S828 PolarHBondContact O-OG 2.85Å
825	T	53.2	Low	58	Low	33 Å²	33	43.1 Å²	43.1	20%	0.202	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-43.6	175.5	-51	0	0	0	0	110.7	Q776 V778 C822 W827 S828 V829	Q776-T825 PolarHBondContact OE1-OG1 3.11Å; V778-T825 HydrophobicContact CG2-CG2 3.73Å; C822-T825 WeakPolarHBondContact CB-OG1 3.27Å; C822-T825 PolarHBondContact O-N 3.41Å; C822-T825 PolarHBondContact SG-OG1 2.58Å; C822-T825 VanDerWaalsContact SG-OG1 3.38Å; T825-W827 VanDerWaalsContact C-N 3.33Å; T825-W827 PolarHBondContact O-N 3.11Å; T825-S828 PolarHBondContact O-N 3.12Å; T825-V829 WeakPolarHBondContact O-CG2 3.05Å; T825-V829 PolarHBondContact O-N 3.08Å
826	L	58.4	Low	57.7	Low	7 Å²	7	46.1 Å²	46.1	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-46.8	174.7	-161.7	85.3	0	0	0	111.7	H720 M722 I818 C822 L823 Q824 V829 Y830	H720-L826 HydrophobicContact CB-CD2 4.02Å; H720-L826 WeakPolarHBondContact O-CD1 3.38Å; M722-L826 HydrophobicContact CB-CD1 4.26Å; M722-L826 HydrophobicContact CB-CD2 3.69Å; M722-L826 HydrophobicContact CB-CG 3.99Å; I818-L826 HydrophobicContact CB-CD1 4.13Å; I818-L826 HydrophobicContact CG2-CD1 3.87Å; I818-L826 WeakPolarHBondContact O-CD1 3.35Å; C822-L826 PolarHBondContact O-N 3.13Å; C822-L826 VanDerWaalsContact O-N 3.12Å; L823-L826 HydrophobicContact CD1-CD2 4.12Å; L823-L826 VanDerWaalsContact O-CB 3.31Å; L823-L826 WeakPolarHBondContact O-CB 3.34Å; L823-L826 PolarHBondContact O-N 2.97Å; Q824-L826 VanDerWaalsContact C-N 3.31Å; Q824-L826 PolarHBondContact O-N 2.75Å; L826-V829 PolarHBondContact O-N 2.72Å; L826-Y830 WeakPolarHBondContact O-CB 3.32Å; L826-Y830 PolarHBondContact O-N 3.48Å
827	W	55	Low	57.5	Low	115 Å²	115	47.9 Å²	47.9	44%	0.436	24%	0.239	S	C	.	.	H	α-helix	trans	-68.2	-39.2	-178.4	-171.1	-117.6	0	0	0	113.2	M722 L823 Q824 T825 Y830 K831	M722-W827 HydrophobicContact CE-CE3 4.08Å; M722-W827 HydrophobicContact CE-CZ3 3.98Å; L823-W827 PolarHBondContact O-N 2.8Å; Q824-W827 PolarHBondContact O-N 3.07Å; T825-W827 VanDerWaalsContact C-N 3.33Å; T825-W827 PolarHBondContact O-N 3.11Å; W827-Y830 HydrophobicContact CD2-CD1 4.49Å; W827-Y830 AromaticContact CE3-CD1 3.93Å; W827-Y830 HydrophobicContact CE3-CD1 3.93Å; W827-Y830 HydrophobicContact CE3-CG 4.45Å; W827-Y830 HydrophobicContact CH2-CD1 4.18Å; W827-Y830 HydrophobicContact CH2-CE1 4.07Å; W827-Y830 AromaticContact CZ3-CD1 3.76Å; W827-Y830 HydrophobicContact CZ3-CD1 3.76Å; W827-Y830 AromaticContact CZ3-CE1 3.95Å; W827-Y830 HydrophobicContact CZ3-CE1 3.95Å; W827-Y830 HydrophobicContact CZ3-CG 4.49Å; W827-Y830 WeakPolarHBondContact O-CB 3.47Å; W827-Y830 PolarHBondContact O-N 2.85Å; W827-K831 PolarHBondContact O-N 2.66Å
828	S	51	Low	57.1	Low	42 Å²	42	52.2 Å²	52.2	29%	0.294	26%	0.256	S	S	.	.	H	α-helix	trans	-64.7	-43.4	175.4	-63.4	0	0	0	0	111.5	Q824 T825 Y830 K831 A832	Q824-S828 PolarHBondContact O-N 3.34Å; Q824-S828 PolarHBondContact O-OG 2.85Å; T825-S828 PolarHBondContact O-N 3.12Å; S828-Y830 VanDerWaalsContact C-N 3.34Å; S828-K831 PolarHBondContact O-N 3.31Å; S828-A832 PolarHBondContact O-N 2.83Å; S828-A832 VanDerWaalsContact O-N 3.07Å
829	V	58.8	Low	56.3	Low	10 Å²	10	56.6 Å²	56.6	6%	0.061	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-43	175.2	179	0	0	0	0	110.5	L695 F780 I818 T825 L826 A832 I833	L695-V829 HydrophobicContact CD1-CG2 4Å; L695-V829 HydrophobicContact CD2-CG2 4.39Å; F780-V829 HydrophobicContact CE1-CG1 3.98Å; F780-V829 HydrophobicContact CZ-CG1 4.19Å; I818-V829 HydrophobicContact CD1-CG1 3.71Å; I818-V829 HydrophobicContact CG2-CG1 4.26Å; T825-V829 WeakPolarHBondContact O-CG2 3.05Å; T825-V829 PolarHBondContact O-N 3.08Å; L826-V829 PolarHBondContact O-N 2.72Å; V829-A832 PolarHBondContact O-N 3.18Å; V829-I833 HydrophobicContact CG1-CD1 3.93Å; V829-I833 WeakPolarHBondContact O-CG1 3.22Å; V829-I833 PolarHBondContact O-N 3.07Å
830	Y	62.5	Low	55.8	Low	28 Å²	28	57.6 Å²	57.6	11%	0.11	29%	0.286	C	S	.	.	H	α-helix	trans	-56.7	-52.6	174.7	170.7	-97.1	0	0	0	112.5	M722 I724 L826 W827 S828 A832 I833 E834 Q928	M722-Y830 HydrophobicContact CE-CD2 3.85Å; M722-Y830 HydrophobicContact CE-CE2 4.32Å; M722-Y830 HydrophobicContact CE-CG 3.98Å; M722-Y830 HydrophobicContact CG-CD2 4.48Å; M722-Y830 VanDerWaalsContact SD-CB 3.5Å; M722-Y830 HydrophobicContact SD-CD2 3.34Å; M722-Y830 WeakPolarHBondContact SD-CD2 3.19Å; M722-Y830 HydrophobicContact SD-CE2 4.25Å; M722-Y830 HydrophobicContact SD-CG 3.58Å; M722-Y830 VanDerWaalsContact SD-CG 3.58Å; I724-Y830 HydrophobicContact CD1-CD2 3.47Å; I724-Y830 VanDerWaalsContact CD1-CD2 3.47Å; I724-Y830 HydrophobicContact CD1-CE2 4.26Å; I724-Y830 HydrophobicContact CD1-CG 4.32Å; I724-Y830 HydrophobicContact CG1-CD2 3.83Å; I724-Y830 HydrophobicContact CG1-CE2 4.27Å; L826-Y830 WeakPolarHBondContact O-CB 3.32Å; L826-Y830 PolarHBondContact O-N 3.48Å; W827-Y830 HydrophobicContact CD2-CD1 4.49Å; W827-Y830 AromaticContact CE3-CD1 3.93Å; W827-Y830 HydrophobicContact CE3-CD1 3.93Å; W827-Y830 HydrophobicContact CE3-CG 4.45Å; W827-Y830 HydrophobicContact CH2-CD1 4.18Å; W827-Y830 HydrophobicContact CH2-CE1 4.07Å; W827-Y830 AromaticContact CZ3-CD1 3.76Å; W827-Y830 HydrophobicContact CZ3-CD1 3.76Å; W827-Y830 AromaticContact CZ3-CE1 3.95Å; W827-Y830 HydrophobicContact CZ3-CE1 3.95Å; W827-Y830 HydrophobicContact CZ3-CG 4.49Å; W827-Y830 WeakPolarHBondContact O-CB 3.47Å; W827-Y830 PolarHBondContact O-N 2.85Å; S828-Y830 VanDerWaalsContact C-N 3.34Å; Y830-A832 PolarHBondContact O-N 2.98Å; Y830-I833 PolarHBondContact O-N 2.81Å; Y830-I833 VanDerWaalsContact O-N 3.12Å; Y830-E834 WeakPolarHBondContact O-CB 3.26Å; Y830-E834 PolarHBondContact O-N 3.09Å; Y830-Q928 PolarHBondContact OH-NE2 2.81Å; Y830-Q928 VanDerWaalsContact OH-NE2 3.1Å; Y830-Q928 PolarHBondContact OH-OE1 3.07Å
831	K	54.3	Low	55.4	Low	117 Å²	117	61.9 Å²	61.9	51%	0.509	31%	0.309	S	S	.	.	H	α-helix	trans	-57.6	-39.6	179.1	-83.9	-168.2	172.3	-177.6	0	112	W827 S828 E834 L835	W827-K831 PolarHBondContact O-N 2.66Å; S828-K831 PolarHBondContact O-N 3.31Å; K831-E834 PolarHBondContact O-N 3.15Å; K831-L835 VanDerWaalsContact O-CB 3.27Å; K831-L835 WeakPolarHBondContact O-CB 3.35Å; K831-L835 PolarHBondContact O-N 2.79Å
832	A	53.1	Low	55.2	Low	39 Å²	39	66.4 Å²	66.4	32%	0.322	33%	0.328	S	S	.	.	H	α-helix	trans	-64.1	-43.3	177.4	0	0	0	0	0	112.2	S828 V829 Y830 L835 R836	S828-A832 PolarHBondContact O-N 2.83Å; S828-A832 VanDerWaalsContact O-N 3.07Å; V829-A832 PolarHBondContact O-N 3.18Å; Y830-A832 PolarHBondContact O-N 2.98Å; A832-L835 PolarHBondContact O-N 2.9Å; A832-R836 WeakPolarHBondContact O-CG 3.47Å; A832-R836 PolarHBondContact O-N 3.4Å
833	I	61.5	Low	54.4	Low	12 Å²	12	72.6 Å²	72.6	6%	0.062	35%	0.351	C	S	.	.	H	α-helix	trans	-66	-44.6	177	-68.2	167.7	0	0	0	110.9	I724 I726 I734 F816 I818 V829 Y830 L835 R836 Q837	I724-I833 HydrophobicContact CD1-CB 4.35Å; I724-I833 HydrophobicContact CD1-CD1 3.94Å; I724-I833 HydrophobicContact CD1-CG2 4.27Å; I724-I833 HydrophobicContact CG2-CG2 4.2Å; I726-I833 HydrophobicContact CG2-CG2 3.51Å; I734-I833 HydrophobicContact CD1-CG1 4.14Å; I734-I833 HydrophobicContact CD1-CG2 4.37Å; F816-I833 HydrophobicContact CD1-CD1 4.25Å; F816-I833 HydrophobicContact CE1-CD1 4.32Å; I818-I833 HydrophobicContact CD1-CD1 3.41Å; I818-I833 VanDerWaalsContact CD1-CD1 3.41Å; V829-I833 HydrophobicContact CG1-CD1 3.93Å; V829-I833 WeakPolarHBondContact O-CG1 3.22Å; V829-I833 PolarHBondContact O-N 3.07Å; Y830-I833 PolarHBondContact O-N 2.81Å; Y830-I833 VanDerWaalsContact O-N 3.12Å; I833-L835 VanDerWaalsContact C-N 3.32Å; I833-L835 PolarHBondContact O-N 3.12Å; I833-R836 PolarHBondContact O-N 2.83Å; I833-Q837 PolarHBondContact O-N 3.42Å
834	E	60.6	Low	53.7	Low	36 Å²	36	73.9 Å²	73.9	17%	0.168	36%	0.359	C	S	.	.	H	α-helix	trans	-60.9	-41.6	178	-163.8	-152.9	-170.8	0	0	111.5	Y830 K831 Q837 K838 Q928	Y830-E834 WeakPolarHBondContact O-CB 3.26Å; Y830-E834 PolarHBondContact O-N 3.09Å; K831-E834 PolarHBondContact O-N 3.15Å; E834-Q837 WeakPolarHBondContact O-CB 3.29Å; E834-Q837 PolarHBondContact O-N 3.25Å; E834-K838 WeakPolarHBondContact O-CG 3.21Å; E834-K838 PolarHBondContact O-N 3.41Å; E834-K838 WeakPolarHBondContact OE1-CE 3.46Å; E834-K838 IonicContact OE1-NZ 3.71Å; E834-K838 PolarHBondContact OE1-NZ 2.8Å; E834-K838 IonicContact OE2-NZ 3.79Å; E834-K838 PolarHBondContact OE2-NZ 2.91Å; E834-Q928 PolarHBondContact OE1-NE2 2.73Å
835	L	53.4	Low	52.7	Low	92 Å²	92	72.3 Å²	72.3	48%	0.482	36%	0.355	S	S	.	.	H	α-helix	trans	-66.2	-39.3	177.7	-152	154.6	0	0	0	111.1	K831 A832 I833 K838 I839	K831-L835 VanDerWaalsContact O-CB 3.27Å; K831-L835 WeakPolarHBondContact O-CB 3.35Å; K831-L835 PolarHBondContact O-N 2.79Å; A832-L835 PolarHBondContact O-N 2.9Å; I833-L835 VanDerWaalsContact C-N 3.32Å; I833-L835 PolarHBondContact O-N 3.12Å; L835-K838 WeakPolarHBondContact O-CB 3.43Å; L835-K838 PolarHBondContact O-N 2.95Å; L835-I839 HydrophobicContact CD2-CD1 3.62Å; L835-I839 HydrophobicContact CD2-CG1 4.2Å; L835-I839 WeakPolarHBondContact O-CG1 3.12Å; L835-I839 PolarHBondContact O-N 2.81Å
836	R	56.9	Low	51.6	Low	83 Å²	83	76.1 Å²	76.1	31%	0.313	38%	0.383	S	S	.	.	H	α-helix	trans	-63.4	-38.6	172.1	-76.1	-179.2	179.2	-126.3	6.9	112.7	V730 D737 A832 I833 I839 S840	V730-R836 HydrophobicContact CG1-CB 4.34Å; D737-R836 IonicContact OD2-CZ 2.9Å; D737-R836 VanDerWaalsContact OD2-CZ 3.29Å; D737-R836 IonicContact OD2-NH1 2.87Å; D737-R836 PolarHBondContact OD2-NH1 3.35Å; D737-R836 IonicContact OD2-NH2 3.99Å; D737-R836 PolarHBondContact OD2-NH2 3.25Å; A832-R836 WeakPolarHBondContact O-CG 3.47Å; A832-R836 PolarHBondContact O-N 3.4Å; I833-R836 PolarHBondContact O-N 2.83Å; R836-I839 PolarHBondContact O-N 3.05Å; R836-S840 PolarHBondContact O-N 3Å
837	Q	61.2	Low	50.4	Low	38 Å²	38	83.1 Å²	83.1	18%	0.178	42%	0.418	C	S	.	.	H	α-helix	trans	-60.8	-45.4	172.2	-71.3	-174.6	-6.4	0	0	111.7	N725 I726 V730 I833 E834 I839 S840 L841	N725-Q837 PolarHBondContact O-NE2 3.28Å; I726-Q837 VanDerWaalsContact CA-NE2 3.34Å; V730-Q837 HydrophobicContact CB-CG 4.46Å; V730-Q837 HydrophobicContact CG1-CG 4.08Å; V730-Q837 HydrophobicContact CG2-CB 4.47Å; V730-Q837 HydrophobicContact CG2-CG 4.06Å; I833-Q837 PolarHBondContact O-N 3.42Å; E834-Q837 WeakPolarHBondContact O-CB 3.29Å; E834-Q837 PolarHBondContact O-N 3.25Å; Q837-I839 VanDerWaalsContact C-N 3.33Å; Q837-I839 PolarHBondContact O-N 2.92Å; Q837-S840 PolarHBondContact O-N 3.15Å; Q837-S840 VanDerWaalsContact O-N 3.17Å; Q837-L841 WeakPolarHBondContact O-CG 3.31Å; Q837-L841 PolarHBondContact O-N 3.19Å
838	K	56.3	Low	49.1	Very low	104 Å²	104	85.5 Å²	85.5	45%	0.452	43%	0.434	S	S	.	.	H	α-helix	trans	-57.9	-45	177.1	-72.4	168	-178	161.4	0	111.5	E834 L835 L841 Q842	E834-K838 WeakPolarHBondContact O-CG 3.21Å; E834-K838 PolarHBondContact O-N 3.41Å; E834-K838 WeakPolarHBondContact OE1-CE 3.46Å; E834-K838 IonicContact OE1-NZ 3.71Å; E834-K838 PolarHBondContact OE1-NZ 2.8Å; E834-K838 IonicContact OE2-NZ 3.79Å; E834-K838 PolarHBondContact OE2-NZ 2.91Å; L835-K838 WeakPolarHBondContact O-CB 3.43Å; L835-K838 PolarHBondContact O-N 2.95Å; K838-L841 PolarHBondContact O-N 3.46Å; K838-Q842 PolarHBondContact O-N 3.3Å; K838-Q842 VanDerWaalsContact O-N 3.14Å
839	I	51.9	Low	48.1	Very low	92 Å²	92	89 Å²	89	47%	0.472	45%	0.454	S	S	.	.	H	α-helix	trans	-64.2	-41.6	176.3	-65.3	167	0	0	0	111.3	L835 R836 Q837 L841 Q842	L835-I839 HydrophobicContact CD2-CD1 3.62Å; L835-I839 HydrophobicContact CD2-CG1 4.2Å; L835-I839 WeakPolarHBondContact O-CG1 3.12Å; L835-I839 PolarHBondContact O-N 2.81Å; R836-I839 PolarHBondContact O-N 3.05Å; Q837-I839 VanDerWaalsContact C-N 3.33Å; Q837-I839 PolarHBondContact O-N 2.92Å; I839-L841 VanDerWaalsContact C-N 3.34Å; I839-L841 PolarHBondContact O-N 3.03Å; I839-Q842 PolarHBondContact O-N 3.14Å
840	S	53	Low	46.8	Very low	28 Å²	28	98.5 Å²	98.5	20%	0.196	50%	0.495	C	S	.	.	H	α-helix	trans	-66.3	-35	178.5	-173.4	0	0	0	0	112.6	S729 R836 Q837	S729-S840 PolarHBondContact OG-OG 3.18Å; R836-S840 PolarHBondContact O-N 3Å; Q837-S840 PolarHBondContact O-N 3.15Å; Q837-S840 VanDerWaalsContact O-N 3.17Å
841	L	51.8	Low	45.5	Very low	92 Å²	92	106.8 Å²	106.8	48%	0.482	53%	0.532	S	S	.	.	H	α-helix	trans	-70.9	-38	177.9	-75.4	164.3	0	0	0	112.1	Q837 K838 I839 K843 N844 N845	Q837-L841 WeakPolarHBondContact O-CG 3.31Å; Q837-L841 PolarHBondContact O-N 3.19Å; K838-L841 PolarHBondContact O-N 3.46Å; I839-L841 VanDerWaalsContact C-N 3.34Å; I839-L841 PolarHBondContact O-N 3.03Å; L841-K843 PolarHBondContact O-N 3.15Å; L841-N844 PolarHBondContact O-N 3.38Å; L841-N844 VanDerWaalsContact O-N 3.11Å; L841-N845 PolarHBondContact O-N 3.4Å
842	Q	46.7	Very low	44.9	Very low	158 Å²	158	112.1 Å²	112.1	74%	0.738	55%	0.549	S	S	*	.	H	α-helix	trans	-60.9	-25.8	177	-78.6	-176.3	-11.4	0	0	113.4	K838 I839	K838-Q842 PolarHBondContact O-N 3.3Å; K838-Q842 VanDerWaalsContact O-N 3.14Å; I839-Q842 PolarHBondContact O-N 3.14Å
843	K	39.5	Very low	44.5	Very low	162 Å²	162	113.5 Å²	113.5	70%	0.704	56%	0.555	S	S	*	*	H	α-helix	trans	-75.8	-25	175.9	-91.2	-171.8	174.2	-175.8	0	114.3	L841	L841-K843 PolarHBondContact O-N 3.15Å
844	N	37.3	Very low	43.8	Very low	131 Å²	131	116.7 Å²	116.7	70%	0.701	58%	0.575	S	S	*	*	H	α-helix	trans	-102.5	-20.5	-172.3	-78.1	4.7	0	0	0	114.6	L841	L841-N844 PolarHBondContact O-N 3.38Å; L841-N844 VanDerWaalsContact O-N 3.11Å
845	N	29.8	Very low	43.5	Very low	99 Å²	99	119.4 Å²	119.4	53%	0.529	59%	0.593	S	S	.	*	S	Bend	trans	-121.6	122	178.4	-74.4	-6.1	0	0	0	111.9	L841 I847	L841-N845 PolarHBondContact O-N 3.4Å; N845-I847 PolarHBondContact O-N 2.91Å
846	S	31.3	Very low	43.6	Very low	113 Å²	113	120.2 Å²	120.2	79%	0.79	60%	0.595	S	S	*	*	S	Bend	trans	-51	106.7	158.1	51.5	0	0	0	0	109.2	E848	S846-E848 VanDerWaalsContact C-N 3.34Å; S846-E848 PolarHBondContact O-N 2.62Å
847	I	32.6	Very low	43.2	Very low	154 Å²	154	121.1 Å²	121.1	79%	0.79	60%	0.603	S	S	*	*			trans	18.2	70.5	161.7	-46.9	172.9	0	0	0	112.8	N845 T849	N845-I847 PolarHBondContact O-N 2.91Å; I847-T849 HydrophobicContact CG2-CG2 4.24Å; I847-T849 PolarHBondContact O-N 3.4Å
848	E	27.5	Very low	42.5	Very low	165 Å²	165	123.4 Å²	123.4	77%	0.771	62%	0.615	S	S	*	*			trans	-69.8	98.5	157.6	-95.1	-167.6	147.7	0	0	105.5	S846 F850	S846-E848 VanDerWaalsContact C-N 3.34Å; S846-E848 PolarHBondContact O-N 2.62Å; E848-F850 PolarHBondContact O-N 3.49Å; E848-F850 VanDerWaalsContact O-N 3.14Å
849	T	30.4	Very low	42.5	Very low	115 Å²	115	126.1 Å²	126.1	71%	0.706	62%	0.623	S	S	*	*			trans	-47.7	120	169.1	35.4	0	0	0	0	108.5	I847 K851	I847-T849 HydrophobicContact CG2-CG2 4.24Å; I847-T849 PolarHBondContact O-N 3.4Å; T849-K851 PolarHBondContact O-N 3.34Å
850	F	32	Very low	42.6	Very low	211 Å²	211	127.5 Å²	127.5	93%	0.925	63%	0.63	S	S	*	*			trans	-42	99.4	179.1	-80.6	-95.1	0	0	0	111.4	E848 R852	E848-F850 PolarHBondContact O-N 3.49Å; E848-F850 VanDerWaalsContact O-N 3.14Å; F850-R852 PolarHBondContact O-N 3.12Å; F850-R852 VanDerWaalsContact O-N 3.12Å
851	K	35.3	Very low	42.4	Very low	202 Å²	202	128 Å²	128	88%	0.878	63%	0.629	S	S	*	*			trans	-71.3	108.5	167.3	-91.5	-178.7	177.2	171.5	0	107	T849	T849-K851 PolarHBondContact O-N 3.34Å
852	R	39.9	Very low	42.6	Very low	228 Å²	228	126.9 Å²	126.9	86%	0.86	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-48.5	137.1	164.7	-77.5	-178.8	175.7	176.6	-1.2	108.3	F850 T854	F850-R852 PolarHBondContact O-N 3.12Å; F850-R852 VanDerWaalsContact O-N 3.12Å; R852-T854 PolarHBondContact O-N 3.22Å
853	P	46.3	Very low	43.2	Very low	69 Å²	69	122 Å²	122	45%	0.448	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-54.5	135.4	177.5	22.4	-31.8	0	0	0	108.9	Q857 L858	P853-Q857 HydrophobicContact CB-CB 4.43Å; P853-L858 HydrophobicContact CB-CD2 4.4Å; P853-L858 HydrophobicContact CB-CG 4.2Å; P853-L858 HydrophobicContact CG-CD1 4.38Å; P853-L858 HydrophobicContact CG-CD2 4.13Å; P853-L858 HydrophobicContact CG-CG 4.21Å
854	T	46.4	Very low	44	Very low	79 Å²	79	119 Å²	119	49%	0.485	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-65	152	175.4	54	0	0	0	0	109.2	R852 E856 Q857 L858	R852-T854 PolarHBondContact O-N 3.22Å; T854-E856 PolarHBondContact O-N 3.24Å; T854-Q857 WeakPolarHBondContact O-CB 3.35Å; T854-Q857 PolarHBondContact O-N 2.9Å; T854-Q857 WeakPolarHBondContact OG1-CG 3.31Å; T854-Q857 PolarHBondContact OG1-OE1 2.78Å; T854-L858 PolarHBondContact O-N 2.91Å; T854-L858 VanDerWaalsContact O-N 3.13Å
855	V	54.3	Low	44.6	Very low	92 Å²	92	114.5 Å²	114.5	56%	0.558	58%	0.579	S	S	*	*	H	α-helix	trans	-51.9	-30.2	176.2	176.9	0	0	0	0	111.3	L858 R859	V855-L858 PolarHBondContact O-N 3.3Å; V855-R859 WeakPolarHBondContact O-CG 3.46Å; V855-R859 PolarHBondContact O-N 3.01Å
856	E	54.2	Low	46.1	Very low	110 Å²	110	116.6 Å²	116.6	51%	0.514	58%	0.583	S	S	.	*	H	α-helix	trans	-79.5	-31.2	-178.3	-43.6	-46.2	-169.2	0	0	113.7	T854 R859 L860	T854-E856 PolarHBondContact O-N 3.24Å; E856-R859 PolarHBondContact O-N 3.34Å; E856-R859 IonicContact OE1-NH1 3.19Å; E856-R859 PolarHBondContact OE1-NH1 3.42Å; E856-R859 WeakPolarHBondContact OE2-CD 3.35Å; E856-R859 IonicContact OE2-CZ 3.7Å; E856-R859 IonicContact OE2-NE 3.91Å; E856-R859 IonicContact OE2-NH1 2.76Å; E856-R859 PolarHBondContact OE2-NH1 2.97Å; E856-L860 WeakPolarHBondContact O-CB 3.46Å; E856-L860 PolarHBondContact O-N 3.45Å
857	Q	49.4	Very low	47.6	Very low	102 Å²	102	117.9 Å²	117.9	48%	0.477	57%	0.574	S	S	.	*	H	α-helix	trans	-63	-48.5	167.1	-76.7	166.8	-39.2	0	0	110.1	P853 T854 R859 L860 E861	P853-Q857 HydrophobicContact CB-CB 4.43Å; T854-Q857 WeakPolarHBondContact O-CB 3.35Å; T854-Q857 PolarHBondContact O-N 2.9Å; T854-Q857 WeakPolarHBondContact OG1-CG 3.31Å; T854-Q857 PolarHBondContact OG1-OE1 2.78Å; Q857-R859 VanDerWaalsContact C-N 3.3Å; Q857-R859 PolarHBondContact O-N 3.28Å; Q857-L860 PolarHBondContact O-N 3.15Å; Q857-E861 VanDerWaalsContact O-CB 3.23Å; Q857-E861 WeakPolarHBondContact O-CB 3.41Å; Q857-E861 WeakPolarHBondContact O-CG 3.08Å; Q857-E861 PolarHBondContact O-N 3.11Å
858	L	47.1	Very low	48.8	Very low	85 Å²	85	115.1 Å²	115.1	45%	0.445	56%	0.561	S	S	.	*	H	α-helix	trans	-60.7	-36.2	176.7	-69.6	171.5	0	0	0	112.4	P853 T854 V855 C862	P853-L858 HydrophobicContact CB-CD2 4.4Å; P853-L858 HydrophobicContact CB-CG 4.2Å; P853-L858 HydrophobicContact CG-CD1 4.38Å; P853-L858 HydrophobicContact CG-CD2 4.13Å; P853-L858 HydrophobicContact CG-CG 4.21Å; T854-L858 PolarHBondContact O-N 2.91Å; T854-L858 VanDerWaalsContact O-N 3.13Å; V855-L858 PolarHBondContact O-N 3.3Å; L858-C862 WeakPolarHBondContact O-CB 3.23Å; L858-C862 PolarHBondContact O-N 2.87Å
859	R	55.9	Low	50.6	Low	162 Å²	162	109.2 Å²	109.2	61%	0.611	53%	0.534	S	S	*	.	H	α-helix	trans	-67.5	-45.2	174.5	-84.8	-169.5	179.5	130.4	-8	112.5	V855 E856 Q857 E861 C862 S863	V855-R859 WeakPolarHBondContact O-CG 3.46Å; V855-R859 PolarHBondContact O-N 3.01Å; E856-R859 PolarHBondContact O-N 3.34Å; E856-R859 IonicContact OE1-NH1 3.19Å; E856-R859 PolarHBondContact OE1-NH1 3.42Å; E856-R859 WeakPolarHBondContact OE2-CD 3.35Å; E856-R859 IonicContact OE2-CZ 3.7Å; E856-R859 IonicContact OE2-NE 3.91Å; E856-R859 IonicContact OE2-NH1 2.76Å; E856-R859 PolarHBondContact OE2-NH1 2.97Å; Q857-R859 VanDerWaalsContact C-N 3.3Å; Q857-R859 PolarHBondContact O-N 3.28Å; R859-E861 VanDerWaalsContact C-N 3.3Å; R859-E861 PolarHBondContact O-N 2.78Å; R859-C862 PolarHBondContact O-N 3.38Å; R859-S863 WeakPolarHBondContact O-CB 3.35Å; R859-S863 PolarHBondContact O-N 3.05Å
860	L	53.8	Low	52.2	Low	120 Å²	120	107.4 Å²	107.4	63%	0.628	52%	0.523	S	S	*	.	H	α-helix	trans	-60.1	-45.6	177.6	-168.6	84.5	0	0	0	110.3	E856 Q857 S863 I864	E856-L860 WeakPolarHBondContact O-CB 3.46Å; E856-L860 PolarHBondContact O-N 3.45Å; Q857-L860 PolarHBondContact O-N 3.15Å; L860-S863 WeakPolarHBondContact O-CA 3.26Å; L860-S863 VanDerWaalsContact O-CB 3.28Å; L860-S863 WeakPolarHBondContact O-CB 3.27Å; L860-S863 PolarHBondContact O-N 2.77Å; L860-I864 WeakPolarHBondContact O-CG1 3.44Å; L860-I864 PolarHBondContact O-N 2.78Å
861	E	49.4	Very low	53.6	Low	38 Å²	38	100.4 Å²	100.4	18%	0.178	50%	0.5	C	S	.	.	H	α-helix	trans	-59.7	-50.9	176.6	-89.7	177.3	-163.4	0	0	113	Q857 R859 S863 I864 L865 F926	Q857-E861 VanDerWaalsContact O-CB 3.23Å; Q857-E861 WeakPolarHBondContact O-CB 3.41Å; Q857-E861 WeakPolarHBondContact O-CG 3.08Å; Q857-E861 PolarHBondContact O-N 3.11Å; R859-E861 VanDerWaalsContact C-N 3.3Å; R859-E861 PolarHBondContact O-N 2.78Å; E861-S863 PolarHBondContact O-N 3.41Å; E861-I864 PolarHBondContact O-N 2.85Å; E861-L865 PolarHBondContact O-N 3.33Å; E861-F926 HydrophobicContact CB-CD1 4.35Å; E861-F926 HydrophobicContact CB-CE1 3.41Å; E861-F926 VanDerWaalsContact CB-CE1 3.41Å; E861-F926 HydrophobicContact CB-CZ 3.89Å; E861-F926 HydrophobicContact CG-CD1 4.28Å; E861-F926 HydrophobicContact CG-CE1 3.68Å; E861-F926 VanDerWaalsContact OE2-CD1 3.31Å; E861-F926 WeakPolarHBondContact OE2-CD1 3.29Å; E861-F926 WeakPolarHBondContact OE2-CE1 3.34Å
862	C	54.5	Low	54.6	Low	69 Å²	69	91.9 Å²	91.9	47%	0.466	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-29.2	176.1	-159.2	0	0	0	0	111.7	L858 R859 K866	L858-C862 WeakPolarHBondContact O-CB 3.23Å; L858-C862 PolarHBondContact O-N 2.87Å; R859-C862 PolarHBondContact O-N 3.38Å; C862-K866 WeakPolarHBondContact O-CB 3.38Å; C862-K866 WeakPolarHBondContact O-CG 2.94Å; C862-K866 PolarHBondContact O-N 2.83Å; C862-K866 VanDerWaalsContact O-N 3.08Å
863	S	59.9	Low	55.9	Low	56 Å²	56	85.2 Å²	85.2	39%	0.392	44%	0.442	S	S	.	.	H	α-helix	trans	-69.6	-38.9	171.2	-180	0	0	0	0	112.9	R859 L860 E861 K867	R859-S863 WeakPolarHBondContact O-CB 3.35Å; R859-S863 PolarHBondContact O-N 3.05Å; L860-S863 WeakPolarHBondContact O-CA 3.26Å; L860-S863 VanDerWaalsContact O-CB 3.28Å; L860-S863 WeakPolarHBondContact O-CB 3.27Å; L860-S863 PolarHBondContact O-N 2.77Å; E861-S863 PolarHBondContact O-N 3.41Å; S863-K867 WeakPolarHBondContact O-CG 3.39Å; S863-K867 PolarHBondContact O-N 2.92Å; S863-K867 VanDerWaalsContact O-N 3.16Å
864	I	55.8	Low	56.7	Low	100 Å²	100	86.5 Å²	86.5	51%	0.513	45%	0.446	S	S	.	.	H	α-helix	trans	-65.8	-45.2	178.1	-66.8	165.1	0	0	0	109.8	L860 E861 K866 K867 L868	L860-I864 WeakPolarHBondContact O-CG1 3.44Å; L860-I864 PolarHBondContact O-N 2.78Å; E861-I864 PolarHBondContact O-N 2.85Å; I864-K866 PolarHBondContact O-N 2.93Å; I864-K867 WeakPolarHBondContact O-CB 3.38Å; I864-K867 PolarHBondContact O-N 2.62Å; I864-K867 VanDerWaalsContact O-N 3.16Å; I864-L868 PolarHBondContact O-N 3.15Å
865	L	50.9	Low	57.3	Low	36 Å²	36	86.5 Å²	86.5	19%	0.188	44%	0.442	C	S	.	.	H	α-helix	trans	-65.9	-38.1	176.5	-89.4	117.7	0	0	0	113.2	E861 K867 L868 L869 Y913 F926	E861-L865 PolarHBondContact O-N 3.33Å; L865-K867 PolarHBondContact O-N 3.03Å; L865-L868 PolarHBondContact O-N 3.47Å; L865-L869 VanDerWaalsContact O-CB 3.28Å; L865-L869 WeakPolarHBondContact O-CB 3.5Å; L865-L869 PolarHBondContact O-N 2.82Å; L865-Y913 HydrophobicContact CB-CE2 3.87Å; L865-Y913 HydrophobicContact CD2-CD2 3.66Å; L865-Y913 HydrophobicContact CD2-CE2 3.1Å; L865-Y913 HydrophobicContact CG-CE2 3.93Å; L865-F926 HydrophobicContact CD1-CD2 4.29Å; L865-F926 HydrophobicContact CD1-CE1 3.55Å; L865-F926 HydrophobicContact CD1-CE2 3.28Å; L865-F926 HydrophobicContact CD1-CZ 2.87Å; L865-F926 HydrophobicContact CG-CZ 4.33Å
866	K	61	Low	57.5	Low	142 Å²	142	87.9 Å²	87.9	62%	0.617	44%	0.437	S	S	*	.	H	α-helix	trans	-58.1	-39.6	173.2	-83.3	-178.2	178.9	-178.7	0	111.7	C862 I864 T870	C862-K866 WeakPolarHBondContact O-CB 3.38Å; C862-K866 WeakPolarHBondContact O-CG 2.94Å; C862-K866 PolarHBondContact O-N 2.83Å; C862-K866 VanDerWaalsContact O-N 3.08Å; I864-K866 PolarHBondContact O-N 2.93Å; K866-T870 PolarHBondContact O-N 3.27Å; K866-T870 PolarHBondContact O-OG1 2.75Å
867	K	63.3	Low	57.8	Low	141 Å²	141	88.2 Å²	88.2	61%	0.613	44%	0.439	S	S	*	.	H	α-helix	trans	-67	-41.1	174.9	-74.6	-179.4	178	-178.3	0	112.5	S863 I864 L865 T870 S871	S863-K867 WeakPolarHBondContact O-CG 3.39Å; S863-K867 PolarHBondContact O-N 2.92Å; S863-K867 VanDerWaalsContact O-N 3.16Å; I864-K867 WeakPolarHBondContact O-CB 3.38Å; I864-K867 PolarHBondContact O-N 2.62Å; I864-K867 VanDerWaalsContact O-N 3.16Å; L865-K867 PolarHBondContact O-N 3.03Å; K867-T870 VanDerWaalsContact CA-OG1 3.24Å; K867-T870 WeakPolarHBondContact CA-OG1 3.47Å; K867-T870 PolarHBondContact O-N 2.95Å; K867-T870 PolarHBondContact O-OG1 2.94Å; K867-T870 VanDerWaalsContact O-OG1 3.05Å; K867-S871 WeakPolarHBondContact O-CB 3.43Å; K867-S871 PolarHBondContact O-N 3.44Å; K867-S871 PolarHBondContact O-OG 2.86Å
868	L	58	Low	58.1	Low	96 Å²	96	86.4 Å²	86.4	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-68	-41.9	178.7	-160.9	126.1	0	0	0	111.4	I864 L865 S871 L872	I864-L868 PolarHBondContact O-N 3.15Å; L865-L868 PolarHBondContact O-N 3.47Å; L868-S871 PolarHBondContact O-N 3.04Å; L868-L872 HydrophobicContact CD2-CD1 3.89Å; L868-L872 WeakPolarHBondContact O-CG 3.13Å; L868-L872 PolarHBondContact O-N 3.26Å
869	L	64.2	Low	58.6	Low	41 Å²	41	84.2 Å²	84.2	22%	0.215	43%	0.425	C	S	.	.	H	α-helix	trans	-63.1	-42.9	174.3	-175.1	69.8	0	0	0	111.9	L865 L872 H873 L910 Y913	L865-L869 VanDerWaalsContact O-CB 3.28Å; L865-L869 WeakPolarHBondContact O-CB 3.5Å; L865-L869 PolarHBondContact O-N 2.82Å; L869-L872 PolarHBondContact O-N 2.84Å; L869-H873 WeakPolarHBondContact O-CB 3.41Å; L869-H873 PolarHBondContact O-CD2 2.66Å; L869-H873 PolarHBondContact O-N 2.92Å; L869-L910 HydrophobicContact CD1-CD2 3.89Å; L869-Y913 HydrophobicContact CB-CE1 4.34Å; L869-Y913 HydrophobicContact CB-CE2 3.91Å; L869-Y913 HydrophobicContact CD1-CD1 3.73Å; L869-Y913 HydrophobicContact CD1-CD2 4.38Å; L869-Y913 HydrophobicContact CD1-CE1 3.69Å; L869-Y913 HydrophobicContact CD1-CE2 4.27Å; L869-Y913 HydrophobicContact CD1-CG 4.12Å; L869-Y913 HydrophobicContact CD2-CE1 3.86Å; L869-Y913 HydrophobicContact CG-CE1 4.17Å
870	T	64.5	Low	58.5	Low	76 Å²	76	79.2 Å²	79.2	47%	0.466	42%	0.416	S	S	.	.	H	α-helix	trans	-63	-44.4	174	22.9	0	0	0	0	110.7	K866 K867 L872 H873 D874	K866-T870 PolarHBondContact O-N 3.27Å; K866-T870 PolarHBondContact O-OG1 2.75Å; K867-T870 VanDerWaalsContact CA-OG1 3.24Å; K867-T870 WeakPolarHBondContact CA-OG1 3.47Å; K867-T870 PolarHBondContact O-N 2.95Å; K867-T870 PolarHBondContact O-OG1 2.94Å; K867-T870 VanDerWaalsContact O-OG1 3.05Å; T870-L872 VanDerWaalsContact C-N 3.34Å; T870-L872 PolarHBondContact O-N 3.21Å; T870-H873 CarbonylContact O-C 3.57Å; T870-H873 PolarHBondContact O-N 3.13Å; T870-H873 VanDerWaalsContact O-N 3.13Å; T870-D874 PolarHBondContact O-N 3.05Å
871	S	60.9	Low	58.3	Low	64 Å²	64	77.7 Å²	77.7	45%	0.448	41%	0.408	S	S	.	.	H	α-helix	trans	-60.6	-41.5	176.9	-56	0	0	0	0	112.4	K867 L868 D874 I875	K867-S871 WeakPolarHBondContact O-CB 3.43Å; K867-S871 PolarHBondContact O-N 3.44Å; K867-S871 PolarHBondContact O-OG 2.86Å; L868-S871 PolarHBondContact O-N 3.04Å; S871-D874 PolarHBondContact O-N 3.39Å; S871-I875 WeakPolarHBondContact O-CD1 3.39Å; S871-I875 VanDerWaalsContact O-CG1 3.22Å; S871-I875 WeakPolarHBondContact O-CG1 3.31Å; S871-I875 PolarHBondContact O-N 3.47Å
872	L	57.7	Low	58.2	Low	23 Å²	23	82.8 Å²	82.8	12%	0.12	43%	0.429	C	S	.	.	H	α-helix	trans	-66.4	-37.9	175.3	-73.3	171.8	0	0	0	112.1	L868 L869 T870 R876 L906 L909 L910	L868-L872 HydrophobicContact CD2-CD1 3.89Å; L868-L872 WeakPolarHBondContact O-CG 3.13Å; L868-L872 PolarHBondContact O-N 3.26Å; L869-L872 PolarHBondContact O-N 2.84Å; T870-L872 VanDerWaalsContact C-N 3.34Å; T870-L872 PolarHBondContact O-N 3.21Å; L872-R876 WeakPolarHBondContact O-CB 3.45Å; L872-R876 PolarHBondContact O-N 3.49Å; L872-L906 HydrophobicContact CD2-CD1 3.66Å; L872-L909 HydrophobicContact CD2-CD1 4.33Å; L872-L910 HydrophobicContact CB-CD2 4.27Å
873	H	65.8	Low	57.7	Low	88 Å²	88	84.3 Å²	84.3	41%	0.407	43%	0.433	S	S	.	.	H	α-helix	trans	-66.6	-42.4	173.4	-94.6	-70.4	0	0	0	112.3	L869 T870 I875 R876 E877	L869-H873 WeakPolarHBondContact O-CB 3.41Å; L869-H873 PolarHBondContact O-CD2 2.66Å; L869-H873 PolarHBondContact O-N 2.92Å; T870-H873 CarbonylContact O-C 3.57Å; T870-H873 PolarHBondContact O-N 3.13Å; T870-H873 VanDerWaalsContact O-N 3.13Å; H873-I875 VanDerWaalsContact C-N 3.32Å; H873-I875 PolarHBondContact O-N 3.35Å; H873-R876 CarbonylContact O-C 3.47Å; H873-R876 WeakPolarHBondContact O-CB 3.1Å; H873-R876 PolarHBondContact O-N 3.14Å; H873-R876 VanDerWaalsContact O-N 3.13Å; H873-E877 WeakPolarHBondContact O-CB 3.39Å; H873-E877 PolarHBondContact O-N 3.17Å
874	D	63.5	Low	56.9	Low	96 Å²	96	88 Å²	88	51%	0.513	45%	0.449	S	S	.	.	H	α-helix	trans	-62.7	-41	176.3	-67.3	-15.8	0	0	0	110.6	T870 S871 E877 S878	T870-D874 PolarHBondContact O-N 3.05Å; S871-D874 PolarHBondContact O-N 3.39Å; D874-E877 PolarHBondContact O-N 2.52Å; D874-S878 VanDerWaalsContact O-CB 3.31Å; D874-S878 WeakPolarHBondContact O-CB 3.37Å; D874-S878 PolarHBondContact O-N 2.79Å
875	I	59	Low	56	Low	80 Å²	80	89 Å²	89	41%	0.41	46%	0.455	S	S	.	.	H	α-helix	trans	-61.7	-46.4	172.8	-69	164.4	0	0	0	109.9	S871 H873 E877 S878 I879 L906	S871-I875 WeakPolarHBondContact O-CD1 3.39Å; S871-I875 VanDerWaalsContact O-CG1 3.22Å; S871-I875 WeakPolarHBondContact O-CG1 3.31Å; S871-I875 PolarHBondContact O-N 3.47Å; H873-I875 VanDerWaalsContact C-N 3.32Å; H873-I875 PolarHBondContact O-N 3.35Å; I875-E877 VanDerWaalsContact C-N 3.32Å; I875-E877 PolarHBondContact O-N 2.77Å; I875-S878 PolarHBondContact O-N 3.16Å; I875-S878 PolarHBondContact O-OG 3.21Å; I875-I879 HydrophobicContact CG2-CD1 3.73Å; I875-I879 HydrophobicContact CG2-CG1 4.44Å; I875-I879 VanDerWaalsContact O-CG1 3.28Å; I875-I879 WeakPolarHBondContact O-CG1 3.42Å; I875-I879 PolarHBondContact O-N 3.48Å; I875-L906 HydrophobicContact CB-CD1 4.49Å; I875-L906 HydrophobicContact CG2-CD1 4.06Å; I875-L906 HydrophobicContact CG2-CD2 4.28Å
876	R	59.3	Low	55.2	Low	120 Å²	120	94.7 Å²	94.7	45%	0.453	49%	0.486	S	S	.	.	H	α-helix	trans	-58.6	-44.5	177.6	-171.4	175.2	172.3	-175.9	-0.2	111.8	L872 H873 I879 S880 L906	L872-R876 WeakPolarHBondContact O-CB 3.45Å; L872-R876 PolarHBondContact O-N 3.49Å; H873-R876 CarbonylContact O-C 3.47Å; H873-R876 WeakPolarHBondContact O-CB 3.1Å; H873-R876 PolarHBondContact O-N 3.14Å; H873-R876 VanDerWaalsContact O-N 3.13Å; R876-I879 PolarHBondContact O-N 2.75Å; R876-S880 WeakPolarHBondContact O-CB 3.21Å; R876-S880 PolarHBondContact O-N 3.3Å; R876-L906 VanDerWaalsContact CA-CD2 3.41Å; R876-L906 HydrophobicContact CB-CD2 3.43Å; R876-L906 VanDerWaalsContact CB-CD2 3.43Å; R876-L906 HydrophobicContact CG-CD2 3.88Å
877	E	59.2	Low	54	Low	118 Å²	118	94.5 Å²	94.5	55%	0.551	49%	0.491	S	S	*	.	H	α-helix	trans	-69.9	-37.4	-179.7	-157.5	172.1	-157.1	0	0	110.9	H873 D874 I875 I879 S880 N881	H873-E877 WeakPolarHBondContact O-CB 3.39Å; H873-E877 PolarHBondContact O-N 3.17Å; D874-E877 PolarHBondContact O-N 2.52Å; I875-E877 VanDerWaalsContact C-N 3.32Å; I875-E877 PolarHBondContact O-N 2.77Å; E877-I879 PolarHBondContact O-N 3.02Å; E877-S880 PolarHBondContact O-N 3.46Å; E877-N881 VanDerWaalsContact O-CB 3.27Å; E877-N881 WeakPolarHBondContact O-CB 3.47Å; E877-N881 VanDerWaalsContact O-CG 3.31Å; E877-N881 PolarHBondContact O-N 3.27Å; E877-N881 PolarHBondContact O-ND2 2.74Å
878	S	57.4	Low	52.5	Low	63 Å²	63	95.1 Å²	95.1	44%	0.441	50%	0.5	S	S	.	.	H	α-helix	trans	-63.9	-39	173.4	82.3	0	0	0	0	112.6	D874 I875 K882	D874-S878 VanDerWaalsContact O-CB 3.31Å; D874-S878 WeakPolarHBondContact O-CB 3.37Å; D874-S878 PolarHBondContact O-N 2.79Å; I875-S878 PolarHBondContact O-N 3.16Å; I875-S878 PolarHBondContact O-OG 3.21Å; S878-K882 PolarHBondContact O-N 3.14Å; S878-K882 VanDerWaalsContact O-N 3.08Å
879	I	56.4	Low	51.2	Low	39 Å²	39	96.8 Å²	96.8	20%	0.2	51%	0.513	C	S	.	.	H	α-helix	trans	-69.3	-44	175.4	-66.5	164.4	0	0	0	109.5	I875 R876 E877 N881 K882 D883 P902 K903 L906	I875-I879 HydrophobicContact CG2-CD1 3.73Å; I875-I879 HydrophobicContact CG2-CG1 4.44Å; I875-I879 VanDerWaalsContact O-CG1 3.28Å; I875-I879 WeakPolarHBondContact O-CG1 3.42Å; I875-I879 PolarHBondContact O-N 3.48Å; R876-I879 PolarHBondContact O-N 2.75Å; E877-I879 PolarHBondContact O-N 3.02Å; I879-N881 VanDerWaalsContact C-N 3.35Å; I879-N881 PolarHBondContact O-N 2.83Å; I879-K882 PolarHBondContact O-N 2.9Å; I879-D883 PolarHBondContact O-N 2.9Å; I879-P902 HydrophobicContact CD1-CB 4.32Å; I879-K903 HydrophobicContact CG2-CG 4.32Å; I879-L906 HydrophobicContact CD1-CD2 4.16Å
880	S	53.7	Low	49.6	Very low	58 Å²	58	102 Å²	102	41%	0.406	54%	0.542	S	S	.	.	H	α-helix	trans	-63.6	-38.3	177.4	-173.3	0	0	0	0	112.7	R876 E877 D883	R876-S880 WeakPolarHBondContact O-CB 3.21Å; R876-S880 PolarHBondContact O-N 3.3Å; E877-S880 PolarHBondContact O-N 3.46Å; S880-D883 PolarHBondContact O-N 3.49Å
881	N	50.8	Low	48	Very low	88 Å²	88	100.2 Å²	100.2	47%	0.471	54%	0.538	S	S	.	.	H	α-helix	trans	-76.5	-26.9	179.9	-76.6	-21.3	0	0	0	112.4	E877 I879 N884 N885	E877-N881 VanDerWaalsContact O-CB 3.27Å; E877-N881 WeakPolarHBondContact O-CB 3.47Å; E877-N881 VanDerWaalsContact O-CG 3.31Å; E877-N881 PolarHBondContact O-N 3.27Å; E877-N881 PolarHBondContact O-ND2 2.74Å; I879-N881 VanDerWaalsContact C-N 3.35Å; I879-N881 PolarHBondContact O-N 2.83Å; N881-N884 PolarHBondContact O-N 3.5Å; N881-N885 PolarHBondContact O-N 3.21Å
882	K	45.7	Very low	46.5	Very low	144 Å²	144	104.1 Å²	104.1	63%	0.626	55%	0.554	S	S	*	*	H	α-helix	trans	-67.6	-35.3	171.2	-91.1	-174.3	174.9	-179	0	112.5	S878 I879 N884 N885	S878-K882 PolarHBondContact O-N 3.14Å; S878-K882 VanDerWaalsContact O-N 3.08Å; I879-K882 PolarHBondContact O-N 2.9Å; K882-N884 PolarHBondContact O-N 2.86Å; K882-N885 PolarHBondContact O-N 3.38Å
883	D	45.5	Very low	45.2	Very low	101 Å²	101	112.5 Å²	112.5	54%	0.54	59%	0.585	S	S	.	*	H	α-helix	trans	-65.9	-23.9	175.1	-75.9	-17.1	0	0	0	112.4	I879 S880 K903	I879-D883 PolarHBondContact O-N 2.9Å; S880-D883 PolarHBondContact O-N 3.49Å; D883-K903 IonicContact OD2-NZ 3.51Å; D883-K903 PolarHBondContact OD2-NZ 3.06Å
884	N	42.6	Very low	43.5	Very low	135 Å²	135	115.8 Å²	115.8	72%	0.722	61%	0.605	S	S	*	*	H	α-helix	trans	-95.2	-15.7	178.7	-90.4	-7.3	0	0	0	115	N881 K882	N881-N884 PolarHBondContact O-N 3.5Å; K882-N884 PolarHBondContact O-N 2.86Å
885	N	36.5	Very low	42	Very low	119 Å²	119	116.9 Å²	116.9	64%	0.636	62%	0.615	S	S	*	*			trans	-117.1	94.6	-179.8	-88.5	-18.8	0	0	0	111	N881 K882 N887	N881-N885 PolarHBondContact O-N 3.21Å; K882-N885 PolarHBondContact O-N 3.38Å; N885-N887 PolarHBondContact O-N 2.75Å
886	N	35.5	Very low	40.6	Very low	157 Å²	157	121.4 Å²	121.4	84%	0.84	64%	0.635	S	S	*	*			trans	-62.5	22.3	172.7	-85.9	-20.5	0	0	0	115.3
887	N	34.3	Very low	39.5	Very low	137 Å²	137	125.7 Å²	125.7	73%	0.733	66%	0.657	S	S	*	*			trans	-109.6	103.7	-177.4	-77.6	-17.7	0	0	0	111.8	N885 V889	N885-N887 PolarHBondContact O-N 2.75Å; N887-V889 PolarHBondContact O-N 2.74Å; N887-V889 VanDerWaalsContact O-N 3.13Å
888	I	31.8	Very low	38.3	Very low	155 Å²	155	127 Å²	127	80%	0.795	67%	0.667	S	S	*	*			trans	-16.7	101.4	155	-55.7	162.8	0	0	0	112.4
889	V	31.2	Very low	37.3	Very low	130 Å²	130	129 Å²	129	79%	0.788	67%	0.672	S	S	*	*			trans	-128.3	114.8	157.7	179.9	0	0	0	0	107.5	N887 G891	N887-V889 PolarHBondContact O-N 2.74Å; N887-V889 VanDerWaalsContact O-N 3.13Å; V889-G891 PolarHBondContact O-N 3.49Å
890	N	30.7	Very low	36.4	Very low	152 Å²	152	133.6 Å²	133.6	81%	0.813	70%	0.704	S	S	*	*			trans	-60.2	64.8	177.7	-76.7	-22.4	0	0	0	113.2
891	G	29.6	Very low	35.9	Very low	37 Å²	37	136.4 Å²	136.4	38%	0.381	71%	0.711	S	S	.	*			trans	-93.3	99.9	167.6	0	0	0	0	0	109.8	V889 Y893	V889-G891 PolarHBondContact O-N 3.49Å; G891-Y893 PolarHBondContact O-N 3.01Å
892	N	29.6	Very low	35.6	Very low	146 Å²	146	135.7 Å²	135.7	78%	0.781	71%	0.711	S	S	*	*			trans	-61.9	31	175.2	-80.6	-12.9	0	0	0	115
893	Y	30.6	Very low	35.7	Very low	199 Å²	199	133.8 Å²	133.8	78%	0.78	70%	0.703	S	S	*	*	S	Bend	trans	-105.6	109.1	175.3	-68.7	-82.3	0	0	0	108.1	G891	G891-Y893 PolarHBondContact O-N 3.01Å
894	L	31.2	Very low	35.7	Very low	158 Å²	158	132.3 Å²	132.3	83%	0.827	70%	0.7	S	S	*	*	S	Bend	trans	91.7	25.5	165.4	-56.4	156.3	0	0	0	119
895	T	30.9	Very low	35.8	Very low	119 Å²	119	128.6 Å²	128.6	73%	0.73	68%	0.682	S	S	*	*			trans	-87.1	-2.2	-175.5	29.5	0	0	0	0	118.6
896	E	31	Very low	36.4	Very low	175 Å²	175	123.5 Å²	123.5	82%	0.818	66%	0.655	S	S	*	*	S	Bend	trans	-125.7	-9.8	-165.1	-103.1	-175.6	176.9	0	0	122.7
897	K	35.1	Very low	37.3	Very low	209 Å²	209	119.2 Å²	119.2	91%	0.909	63%	0.631	S	S	*	*	S	Bend	trans	-172.3	1.1	173	-108.6	142.1	-168.3	-176.2	0	118.6	L899	K897-L899 PolarHBondContact O-N 3.17Å
898	L	34.2	Very low	37.9	Very low	147 Å²	147	119.3 Å²	119.3	77%	0.77	63%	0.626	S	S	*	*	S	Bend	trans	-97.5	97.1	-170.3	-79.4	153.4	0	0	0	111.7
899	L	36.7	Very low	38.8	Very low	105 Å²	105	116 Å²	116	55%	0.55	61%	0.609	S	S	.	*			trans	62.9	126.6	168.1	-80.2	86.1	0	0	0	117.8	K897 E901 T905	K897-L899 PolarHBondContact O-N 3.17Å; L899-E901 PolarHBondContact O-N 2.8Å; L899-E901 VanDerWaalsContact O-N 3.13Å; L899-T905 HydrophobicContact CD2-CG2 4.33Å; L899-T905 WeakPolarHBondContact CD2-OG1 3.31Å
900	P	37	Very low	39.9	Very low	134 Å²	134	110.5 Å²	110.5	87%	0.87	58%	0.575	S	S	*	*	S	Bend	trans	-66.3	-13.8	-177.7	-16.6	29.3	0	0	0	115.6
901	E	43.7	Very low	41	Very low	117 Å²	117	108.4 Å²	108.4	55%	0.547	56%	0.564	S	S	.	*			trans	-138.7	75.5	-172.3	-68.2	-172.3	167.9	0	0	112.4	L899 K903 C904 T905	L899-E901 PolarHBondContact O-N 2.8Å; L899-E901 VanDerWaalsContact O-N 3.13Å; E901-K903 PolarHBondContact O-N 3.25Å; E901-K903 VanDerWaalsContact O-N 3.12Å; E901-C904 HydrophobicContact CB-CB 4Å; E901-C904 PolarHBondContact O-N 2.98Å; E901-C904 VanDerWaalsContact O-N 3.12Å; E901-C904 PolarHBondContact OE2-SG 3.11Å; E901-T905 PolarHBondContact O-N 3.39Å; E901-T905 PolarHBondContact O-OG1 2.95Å
902	P	45.1	Very low	41.9	Very low	73 Å²	73	108.4 Å²	108.4	47%	0.474	56%	0.558	S	S	.	*	H	α-helix	trans	-57.7	-28.6	179.1	20.5	-31.2	0	0	0	113	I879 L906	I879-P902 HydrophobicContact CD1-CB 4.32Å; P902-L906 WeakPolarHBondContact O-CB 3.48Å; P902-L906 PolarHBondContact O-N 3.38Å; P902-L906 VanDerWaalsContact O-N 3.12Å
903	K	46.3	Very low	43	Very low	105 Å²	105	102.5 Å²	102.5	46%	0.457	53%	0.525	S	S	.	.	H	α-helix	trans	-66.4	-43.5	175.6	-96.4	172.3	174	162.4	0	113	I879 D883 E901 L906 N907	I879-K903 HydrophobicContact CG2-CG 4.32Å; D883-K903 IonicContact OD2-NZ 3.51Å; D883-K903 PolarHBondContact OD2-NZ 3.06Å; E901-K903 PolarHBondContact O-N 3.25Å; E901-K903 VanDerWaalsContact O-N 3.12Å; K903-L906 PolarHBondContact O-N 3.46Å; K903-N907 WeakPolarHBondContact O-CB 2.9Å; K903-N907 PolarHBondContact O-N 3.05Å
904	C	46.6	Very low	44	Very low	70 Å²	70	96.4 Å²	96.4	47%	0.473	51%	0.511	S	S	.	.	H	α-helix	trans	-68.4	-44.4	-178.3	-75.2	0	0	0	0	111.4	E901 L906 N907 F908	E901-C904 HydrophobicContact CB-CB 4Å; E901-C904 PolarHBondContact O-N 2.98Å; E901-C904 VanDerWaalsContact O-N 3.12Å; E901-C904 PolarHBondContact OE2-SG 3.11Å; C904-L906 VanDerWaalsContact C-N 3.34Å; C904-L906 PolarHBondContact O-N 2.73Å; C904-N907 PolarHBondContact O-N 3.05Å; C904-F908 WeakPolarHBondContact O-CB 3.38Å; C904-F908 PolarHBondContact O-N 3.3Å
905	T	44.5	Very low	44.8	Very low	56 Å²	56	93.2 Å²	93.2	34%	0.344	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-38.7	177.3	-39.7	0	0	0	0	111.9	L899 E901 F908 L909	L899-T905 HydrophobicContact CD2-CG2 4.33Å; L899-T905 WeakPolarHBondContact CD2-OG1 3.31Å; E901-T905 PolarHBondContact O-N 3.39Å; E901-T905 PolarHBondContact O-OG1 2.95Å; T905-F908 PolarHBondContact O-N 3.06Å; T905-L909 WeakPolarHBondContact O-CG 3.23Å; T905-L909 PolarHBondContact O-N 2.97Å
906	L	49.6	Very low	45.5	Very low	13 Å²	13	90.8 Å²	90.8	7%	0.068	48%	0.48	C	S	.	.	H	α-helix	trans	-68.4	-40.7	178.1	-166.9	74.5	0	0	0	112.4	L872 I875 R876 I879 P902 K903 C904 F908 L909 L910	L872-L906 HydrophobicContact CD2-CD1 3.66Å; I875-L906 HydrophobicContact CB-CD1 4.49Å; I875-L906 HydrophobicContact CG2-CD1 4.06Å; I875-L906 HydrophobicContact CG2-CD2 4.28Å; R876-L906 VanDerWaalsContact CA-CD2 3.41Å; R876-L906 HydrophobicContact CB-CD2 3.43Å; R876-L906 VanDerWaalsContact CB-CD2 3.43Å; R876-L906 HydrophobicContact CG-CD2 3.88Å; I879-L906 HydrophobicContact CD1-CD2 4.16Å; P902-L906 WeakPolarHBondContact O-CB 3.48Å; P902-L906 PolarHBondContact O-N 3.38Å; P902-L906 VanDerWaalsContact O-N 3.12Å; K903-L906 PolarHBondContact O-N 3.46Å; C904-L906 VanDerWaalsContact C-N 3.34Å; C904-L906 PolarHBondContact O-N 2.73Å; L906-F908 VanDerWaalsContact C-N 3.34Å; L906-L909 PolarHBondContact O-N 3.15Å; L906-L910 HydrophobicContact CG-CD1 4.49Å; L906-L910 WeakPolarHBondContact O-CG 3.41Å; L906-L910 PolarHBondContact O-N 2.84Å
907	N	53.2	Low	46	Very low	66 Å²	66	90 Å²	90	35%	0.353	47%	0.469	S	S	.	.	H	α-helix	trans	-63.3	-42.1	173	-76.2	-18	0	0	0	111	K903 C904 L909 L910 D911	K903-N907 WeakPolarHBondContact O-CB 2.9Å; K903-N907 PolarHBondContact O-N 3.05Å; C904-N907 PolarHBondContact O-N 3.05Å; N907-L909 VanDerWaalsContact C-N 3.34Å; N907-L909 PolarHBondContact O-N 3.12Å; N907-L910 PolarHBondContact O-N 2.84Å; N907-D911 WeakPolarHBondContact O-CB 3.28Å; N907-D911 PolarHBondContact O-N 2.64Å
908	F	48.2	Very low	46.4	Very low	140 Å²	140	88.6 Å²	88.6	61%	0.614	46%	0.463	S	S	*	.	H	α-helix	trans	-59.8	-42	175.1	-175.1	-93	0	0	0	112.3	C904 T905 L906 D911 S912	C904-F908 WeakPolarHBondContact O-CB 3.38Å; C904-F908 PolarHBondContact O-N 3.3Å; T905-F908 PolarHBondContact O-N 3.06Å; L906-F908 VanDerWaalsContact C-N 3.34Å; F908-D911 PolarHBondContact O-N 2.67Å; F908-S912 VanDerWaalsContact O-CB 3.24Å; F908-S912 WeakPolarHBondContact O-CB 3.46Å; F908-S912 PolarHBondContact O-N 2.79Å; F908-S912 PolarHBondContact O-OG 3.17Å
909	L	49.8	Very low	46.7	Very low	85 Å²	85	84.2 Å²	84.2	45%	0.445	44%	0.442	S	S	.	.	H	α-helix	trans	-65	-40.4	175.1	-75.8	167.3	0	0	0	112.3	L872 T905 L906 N907 Y913	L872-L909 HydrophobicContact CD2-CD1 4.33Å; T905-L909 WeakPolarHBondContact O-CG 3.23Å; T905-L909 PolarHBondContact O-N 2.97Å; L906-L909 PolarHBondContact O-N 3.15Å; N907-L909 VanDerWaalsContact C-N 3.34Å; N907-L909 PolarHBondContact O-N 3.12Å; L909-Y913 WeakPolarHBondContact O-CB 3.13Å; L909-Y913 PolarHBondContact O-N 3.34Å
910	L	54.7	Low	46.9	Very low	14 Å²	14	80.4 Å²	80.4	7%	0.073	43%	0.426	C	S	.	.	H	α-helix	trans	-67.2	-40.9	176.6	-77.3	165.7	0	0	0	112.4	L869 L872 L906 N907 Y913 C914	L869-L910 HydrophobicContact CD1-CD2 3.89Å; L872-L910 HydrophobicContact CB-CD2 4.27Å; L906-L910 HydrophobicContact CG-CD1 4.49Å; L906-L910 WeakPolarHBondContact O-CG 3.41Å; L906-L910 PolarHBondContact O-N 2.84Å; N907-L910 PolarHBondContact O-N 2.84Å; L910-Y913 WeakPolarHBondContact O-CB 3.45Å; L910-Y913 PolarHBondContact O-N 2.9Å; L910-C914 PolarHBondContact O-N 3.07Å; L910-C914 PolarHBondContact O-SG 3.45Å; L910-C914 VanDerWaalsContact O-SG 3.34Å
911	D	53.1	Low	46.9	Very low	109 Å²	109	82.2 Å²	82.2	58%	0.583	43%	0.425	S	S	*	.	H	α-helix	trans	-67.8	-43.6	176.3	-74.6	-20.4	0	0	0	110.7	N907 F908 Y913 C914 V915	N907-D911 WeakPolarHBondContact O-CB 3.28Å; N907-D911 PolarHBondContact O-N 2.64Å; F908-D911 PolarHBondContact O-N 2.67Å; D911-Y913 VanDerWaalsContact C-N 3.31Å; D911-Y913 PolarHBondContact O-N 3.2Å; D911-C914 WeakPolarHBondContact O-CB 3.46Å; D911-C914 PolarHBondContact O-N 3.03Å; D911-C914 VanDerWaalsContact O-N 3.08Å; D911-V915 WeakPolarHBondContact O-CG2 3.42Å; D911-V915 PolarHBondContact O-N 3.47Å
912	S	49.3	Very low	46.8	Very low	37 Å²	37	81.6 Å²	81.6	26%	0.259	43%	0.434	S	S	.	.	H	α-helix	trans	-57.9	-43.8	173.5	-60.1	0	0	0	0	111.1	F908 C914 V915 I916	F908-S912 VanDerWaalsContact O-CB 3.24Å; F908-S912 WeakPolarHBondContact O-CB 3.46Å; F908-S912 PolarHBondContact O-N 2.79Å; F908-S912 PolarHBondContact O-OG 3.17Å; S912-C914 VanDerWaalsContact C-N 3.35Å; S912-C914 PolarHBondContact O-N 3.36Å; S912-V915 PolarHBondContact O-N 3.33Å; S912-I916 WeakPolarHBondContact O-CB 3.42Å; S912-I916 WeakPolarHBondContact O-CD1 3.38Å; S912-I916 WeakPolarHBondContact O-CG1 3.43Å; S912-I916 PolarHBondContact O-N 2.93Å
913	Y	52.5	Low	46.4	Very low	21 Å²	21	80.3 Å²	80.3	8%	0.082	43%	0.426	C	S	.	.	H	α-helix	trans	-59.7	-42.3	174	179.2	-78.7	0	0	0	112.3	L865 L869 L909 L910 D911 V915 I916 R917	L865-Y913 HydrophobicContact CB-CE2 3.87Å; L865-Y913 HydrophobicContact CD2-CD2 3.66Å; L865-Y913 HydrophobicContact CD2-CE2 3.1Å; L865-Y913 HydrophobicContact CG-CE2 3.93Å; L869-Y913 HydrophobicContact CB-CE1 4.34Å; L869-Y913 HydrophobicContact CB-CE2 3.91Å; L869-Y913 HydrophobicContact CD1-CD1 3.73Å; L869-Y913 HydrophobicContact CD1-CD2 4.38Å; L869-Y913 HydrophobicContact CD1-CE1 3.69Å; L869-Y913 HydrophobicContact CD1-CE2 4.27Å; L869-Y913 HydrophobicContact CD1-CG 4.12Å; L869-Y913 HydrophobicContact CD2-CE1 3.86Å; L869-Y913 HydrophobicContact CG-CE1 4.17Å; L909-Y913 WeakPolarHBondContact O-CB 3.13Å; L909-Y913 PolarHBondContact O-N 3.34Å; L910-Y913 WeakPolarHBondContact O-CB 3.45Å; L910-Y913 PolarHBondContact O-N 2.9Å; D911-Y913 VanDerWaalsContact C-N 3.31Å; D911-Y913 PolarHBondContact O-N 3.2Å; Y913-V915 VanDerWaalsContact C-N 3.32Å; Y913-V915 PolarHBondContact O-N 3.35Å; Y913-I916 PolarHBondContact O-N 3.32Å; Y913-R917 HydrophobicContact CE1-CB 4.48Å; Y913-R917 WeakPolarHBondContact O-CB 3.29Å; Y913-R917 PolarHBondContact O-N 3.09Å
914	C	51.2	Low	46	Very low	72 Å²	72	81.1 Å²	81.1	49%	0.486	45%	0.445	S	S	.	.	H	α-helix	trans	-65.3	-36.8	178.8	-72.7	0	0	0	0	112.2	L910 D911 S912 K918	L910-C914 PolarHBondContact O-N 3.07Å; L910-C914 PolarHBondContact O-SG 3.45Å; L910-C914 VanDerWaalsContact O-SG 3.34Å; D911-C914 WeakPolarHBondContact O-CB 3.46Å; D911-C914 PolarHBondContact O-N 3.03Å; D911-C914 VanDerWaalsContact O-N 3.08Å; S912-C914 VanDerWaalsContact C-N 3.35Å; S912-C914 PolarHBondContact O-N 3.36Å; C914-K918 PolarHBondContact O-N 3.24Å
915	V	47.7	Very low	45.6	Very low	90 Å²	90	82.1 Å²	82.1	55%	0.545	45%	0.445	S	S	.	.	H	α-helix	trans	-65.5	-51.3	173	175.3	0	0	0	0	110.1	D911 S912 Y913 R917 K918 T919	D911-V915 WeakPolarHBondContact O-CG2 3.42Å; D911-V915 PolarHBondContact O-N 3.47Å; S912-V915 PolarHBondContact O-N 3.33Å; Y913-V915 VanDerWaalsContact C-N 3.32Å; Y913-V915 PolarHBondContact O-N 3.35Å; V915-R917 VanDerWaalsContact C-N 3.29Å; V915-R917 PolarHBondContact O-N 3.49Å; V915-K918 PolarHBondContact O-N 3.22Å; V915-T919 PolarHBondContact O-N 3.33Å; V915-T919 PolarHBondContact O-OG1 3.31Å
916	I	45.5	Very low	45	Very low	69 Å²	69	82.2 Å²	82.2	35%	0.354	44%	0.441	S	S	.	.	H	α-helix	trans	-55.7	-43.8	178.5	-67.5	162.6	0	0	0	110.8	S912 Y913 K918 T919 A920	S912-I916 WeakPolarHBondContact O-CB 3.42Å; S912-I916 WeakPolarHBondContact O-CD1 3.38Å; S912-I916 WeakPolarHBondContact O-CG1 3.43Å; S912-I916 PolarHBondContact O-N 2.93Å; Y913-I916 PolarHBondContact O-N 3.32Å; I916-K918 VanDerWaalsContact C-N 3.33Å; I916-K918 PolarHBondContact O-N 3.15Å; I916-T919 WeakPolarHBondContact CA-OG1 3.32Å; I916-T919 PolarHBondContact O-N 3.48Å; I916-T919 PolarHBondContact O-OG1 3.34Å; I916-A920 WeakPolarHBondContact O-CB 3.39Å; I916-A920 PolarHBondContact O-N 3.02Å
917	R	42.5	Very low	44.1	Very low	158 Å²	158	91.4 Å²	91.4	60%	0.596	48%	0.476	S	S	*	.	H	α-helix	trans	-63.8	-36	177.7	-173.8	-179.6	168.9	-165.9	-4.3	112.8	Y913 V915	Y913-R917 HydrophobicContact CE1-CB 4.48Å; Y913-R917 WeakPolarHBondContact O-CB 3.29Å; Y913-R917 PolarHBondContact O-N 3.09Å; V915-R917 VanDerWaalsContact C-N 3.29Å; V915-R917 PolarHBondContact O-N 3.49Å
918	K	43.9	Very low	43.1	Very low	179 Å²	179	95 Å²	95	78%	0.778	49%	0.491	S	S	*	.	H	α-helix	trans	-72.8	-42.1	177.8	-83.7	-177	175.3	178.4	0	112	C914 V915 I916	C914-K918 PolarHBondContact O-N 3.24Å; V915-K918 PolarHBondContact O-N 3.22Å; I916-K918 VanDerWaalsContact C-N 3.33Å; I916-K918 PolarHBondContact O-N 3.15Å
919	T	40.3	Very low	42.9	Very low	55 Å²	55	92.8 Å²	92.8	34%	0.337	49%	0.485	S	S	.	.	H	α-helix	trans	-76.8	-28.9	179.8	42.8	0	0	0	0	113.1	V915 I916 M921 S922 S923	V915-T919 PolarHBondContact O-N 3.33Å; V915-T919 PolarHBondContact O-OG1 3.31Å; I916-T919 WeakPolarHBondContact CA-OG1 3.32Å; I916-T919 PolarHBondContact O-N 3.48Å; I916-T919 PolarHBondContact O-OG1 3.34Å; T919-M921 VanDerWaalsContact C-N 3.31Å; T919-M921 PolarHBondContact O-N 3.04Å; T919-S922 PolarHBondContact O-N 2.69Å; T919-S922 VanDerWaalsContact O-N 3.09Å; T919-S922 PolarHBondContact O-OG 3.25Å; T919-S923 PolarHBondContact O-N 3.23Å; T919-S923 PolarHBondContact O-OG 2.76Å
920	A	40	Very low	42.5	Very low	25 Å²	25	93.2 Å²	93.2	21%	0.207	49%	0.487	C	S	.	.	H	α-helix	trans	-68	-26.6	178.9	0	0	0	0	0	114.1	I916 S922 F926	I916-A920 WeakPolarHBondContact O-CB 3.39Å; I916-A920 PolarHBondContact O-N 3.02Å; A920-S922 PolarHBondContact O-N 3.47Å; A920-F926 HydrophobicContact CB-CB 4.22Å; A920-F926 HydrophobicContact CB-CD2 3.5Å; A920-F926 VanDerWaalsContact CB-CD2 3.5Å; A920-F926 HydrophobicContact CB-CE2 4.32Å; A920-F926 HydrophobicContact CB-CG 4.33Å
921	M	37.5	Very low	41.8	Very low	173 Å²	173	97.6 Å²	97.6	85%	0.852	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.1	172.9	-77.3	-150.4	173.3	0	0	112.9	T919	T919-M921 VanDerWaalsContact C-N 3.31Å; T919-M921 PolarHBondContact O-N 3.04Å
922	S	40.8	Very low	41.2	Very low	104 Å²	104	96.9 Å²	96.9	73%	0.727	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-5.3	178.7	61.3	0	0	0	0	114.8	T919 A920	T919-S922 PolarHBondContact O-N 2.69Å; T919-S922 VanDerWaalsContact O-N 3.09Å; T919-S922 PolarHBondContact O-OG 3.25Å; A920-S922 PolarHBondContact O-N 3.47Å
923	S	37.5	Very low	40.7	Very low	46 Å²	46	100.6 Å²	100.6	32%	0.322	52%	0.521	S	S	.	.	S	Bend	trans	-154.6	147.5	-171.8	59.7	0	0	0	0	113	T919 L925	T919-S923 PolarHBondContact O-N 3.23Å; T919-S923 PolarHBondContact O-OG 2.76Å; S923-L925 PolarHBondContact O-N 3.37Å; S923-L925 WeakPolarHBondContact OG-CB 3.39Å
924	S	37.1	Very low	39.9	Very low	121 Å²	121	105.9 Å²	105.9	85%	0.846	55%	0.55	S	S	*	*	S	Bend	trans	-64.7	15.8	172.8	59.2	0	0	0	0	113.9	F926	S924-F926 PolarHBondContact O-N 3.05Å
925	L	38.1	Very low	39.1	Very low	91 Å²	91	108.4 Å²	108.4	48%	0.476	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.4	12.3	-178.6	-147	113.1	0	0	0	112.7	S923	S923-L925 PolarHBondContact O-N 3.37Å; S923-L925 WeakPolarHBondContact OG-CB 3.39Å
926	F	33.3	Very low	38.4	Very low	58 Å²	58	109.8 Å²	109.8	25%	0.254	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.2	-24.6	-168.8	-174.8	-83.7	0	0	0	113.2	E861 L865 A920 S924 Q928	E861-F926 HydrophobicContact CB-CD1 4.35Å; E861-F926 HydrophobicContact CB-CE1 3.41Å; E861-F926 VanDerWaalsContact CB-CE1 3.41Å; E861-F926 HydrophobicContact CB-CZ 3.89Å; E861-F926 HydrophobicContact CG-CD1 4.28Å; E861-F926 HydrophobicContact CG-CE1 3.68Å; E861-F926 VanDerWaalsContact OE2-CD1 3.31Å; E861-F926 WeakPolarHBondContact OE2-CD1 3.29Å; E861-F926 WeakPolarHBondContact OE2-CE1 3.34Å; L865-F926 HydrophobicContact CD1-CD2 4.29Å; L865-F926 HydrophobicContact CD1-CE1 3.55Å; L865-F926 HydrophobicContact CD1-CE2 3.28Å; L865-F926 HydrophobicContact CD1-CZ 2.87Å; L865-F926 HydrophobicContact CG-CZ 4.33Å; A920-F926 HydrophobicContact CB-CB 4.22Å; A920-F926 HydrophobicContact CB-CD2 3.5Å; A920-F926 VanDerWaalsContact CB-CD2 3.5Å; A920-F926 HydrophobicContact CB-CE2 4.32Å; A920-F926 HydrophobicContact CB-CG 4.33Å; S924-F926 PolarHBondContact O-N 3.05Å; F926-Q928 VanDerWaalsContact C-N 3.29Å
927	Y	30.7	Very low	37.8	Very low	207 Å²	207	113.2 Å²	113.2	81%	0.812	57%	0.572	S	S	*	*			trans	-78.8	-16.2	175.1	-151.7	-87.4	0	0	0	112.4
928	Q	32	Very low	37.4	Very low	141 Å²	141	109.1 Å²	109.1	66%	0.659	57%	0.57	S	S	*	*			trans	-101.6	0	178.6	-74.1	176.7	-11.7	0	0	109.8	Y830 E834 F926	Y830-Q928 PolarHBondContact OH-NE2 2.81Å; Y830-Q928 VanDerWaalsContact OH-NE2 3.1Å; Y830-Q928 PolarHBondContact OH-OE1 3.07Å; E834-Q928 PolarHBondContact OE1-NE2 2.73Å; F926-Q928 VanDerWaalsContact C-N 3.29Å

Retrieved 928 of 928 residues in 1443.5 ms (Link to these results)

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