A0A3Q0KL95_SCHMA Loading...

ERIC3 protein

AlphaFold DB , UniProt , Accession A0A3Q0KL95, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,070 aa.

						>A0A3Q0KL95_SCHMA|A0A3Q0KL95
MPLKSNASFLEAYNSLTDKHLINYFSTSRMRRHLINNGLITENGEVIPESEYKETKIRENLKRAFLEVIAHAIVEKSLEVERLRQGKLQRDLEELCRLNKVKRLREERQQRSEEAILSKLIIKSPRSLEKLEILETHDPDKMNNQNKQQNINKKNQIKRKYSQKNKQTIMSLLPYSQSPYRKPKSSLHRSSSCSNKKVYNEQTVPSTKHSRHYNQSNERDIQEPKNNTHNVSMQMDHDTTKQVRKTRKMPSQYRQLPQIEIKQTSCIVKLMYLGISRTEESKIQHTIDQQKNKKEEKNSMNNTTNNNDTNQSLSRLVTVIQQPNGGNTHTLFKGLLQPGDTFQIISKRVYGFPFSLTIYVDGTQDTRVSACCEYRHRQGARIGGKHGHFVYLSVEGSFPCFRCRALKKLKQQQQQEKMKRKQKSTTDENDGKIQHEEADEYDDGDNLKVYEDDFETEDKKINEDGDYNEIEEEKLEVVHPSGINKVDIITLNRENTLLSIHNGDFDSVSSSSTISKHNCQEASHLPSIGPEKMDNSKEIDYDEINLIEYFKAALHSLVLNENNINGCLRCIIWLSISLKQCAIMKYVDDDNEDDDEDRDTLELTKKDQFCEAIIRQQDEELMRLVLPKPNTSDKLKLRWPLNDLKITDKIKYVDFCNLSNVLTMPLSDVEKLELCLEIPEEDIMYKFVEHSSLTKDGLITFRNPLKIFLEDEENDEMNNYSLLRFLYELDNGCNSDVENENPTGNFENIKDKYYESGESSESSPPASPSLAEKMIKPPVKKKKNSKSSSSSSSSSSSPSSSSSSSSSSSSSSSSLHSPSSKLNSPKVISTNIFSNQSNGSLTSDTLTPTFEKESENQPSIMEQELNQPDKILDLERINTGENKTVEHSIENTTNTVTDENMRKRRSSSTESLENNTKRDPTITSFIHNDNVQQNVESQSSSVTSDQSMELKSSLYKKDQVVDGEFQHSLPTSSSVLPSSTISSSSSSPSSPSSPPVFTTTTFISLEKSQLSSNSSIDDISIKSTNSKETHNQSNHCIVTYNTDYDMSTKFTEPSQESDDIGLNSLSYTVI
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.6	Very low	58.2	Low	225 Å²	225	147.1 Å²	147.1	100%	1.108	79%	0.785	S	S	*	*				0	133.6	0	-59.2	-42.7	-172.7	0	0	108.8	L3	M1-L3 PolarHBondContact O-N 3.46Å
2	P	44	Very low	59.3	Low	123 Å²	123	141.7 Å²	141.7	80%	0.799	78%	0.776	S	S	*	*			trans	-78.8	119.6	-172.1	30.2	-33.2	0	0	0	111.8
3	L	44.6	Very low	61.1	Low	178 Å²	178	140 Å²	140	93%	0.932	75%	0.752	S	S	*	*			trans	-78.3	125	162.8	-66.2	169.2	0	0	0	108.2	M1	M1-L3 PolarHBondContact O-N 3.46Å
4	K	51.7	Low	62.5	Low	188 Å²	188	135 Å²	135	82%	0.817	73%	0.725	S	S	*	*			trans	-128.4	148.7	170.5	-86.2	-170.7	172.3	-175.7	0	109.6
5	S	53.9	Low	64.1	Low	107 Å²	107	129.3 Å²	129.3	75%	0.748	70%	0.7	S	S	*	*			trans	53.7	109.9	176.6	43.4	0	0	0	0	116.7	A7	S5-A7 PolarHBondContact O-N 3.42Å
6	N	54.6	Low	65.2	Low	180 Å²	180	123.6 Å²	123.6	96%	0.963	67%	0.669	S	S	*	*			trans	-77	57.4	168.2	-61.5	-31.3	0	0	0	111.2
7	A	60	Low	66.2	Low	53 Å²	53	122.1 Å²	122.1	44%	0.438	67%	0.665	S	S	.	*			trans	-66.8	147.8	172.1	0	0	0	0	0	110.2	S5 E11	S5-A7 PolarHBondContact O-N 3.42Å; A7-E11 WeakPolarHBondContact CA-OE2 3.12Å
8	S	69.9	Low	67.3	Low	71 Å²	71	116.8 Å²	116.8	50%	0.497	64%	0.636	S	S	.	*			trans	-65.8	151.1	173	-176.7	0	0	0	0	111.1	L10 E11 A12	S8-L10 PolarHBondContact O-N 3.43Å; S8-L10 VanDerWaalsContact O-N 3.12Å; S8-E11 PolarHBondContact N-OE2 3.13Å; S8-E11 WeakPolarHBondContact O-CB 3.41Å; S8-E11 PolarHBondContact O-N 3.21Å; S8-A12 PolarHBondContact O-N 3.41Å; S8-A12 VanDerWaalsContact O-N 3.11Å
9	F	72.4	Confident	68.3	Low	195 Å²	195	118.8 Å²	118.8	86%	0.855	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-20.2	178.5	-145.1	-83.9	0	0	0	112.8
10	L	75.7	Confident	69.2	Low	149 Å²	149	120.2 Å²	120.2	78%	0.78	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-26.5	170.1	-113.4	72	0	0	0	113.5	S8 Y13	S8-L10 PolarHBondContact O-N 3.43Å; S8-L10 VanDerWaalsContact O-N 3.12Å; L10-Y13 WeakPolarHBondContact O-CB 3.42Å; L10-Y13 PolarHBondContact O-N 3.42Å
11	E	72	Confident	70.1	Confident	149 Å²	149	117.3 Å²	117.3	70%	0.696	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-26.3	-175	-174.8	175.2	-145.1	0	0	111.4	A7 S8	A7-E11 WeakPolarHBondContact CA-OE2 3.12Å; S8-E11 PolarHBondContact N-OE2 3.13Å; S8-E11 WeakPolarHBondContact O-CB 3.41Å; S8-E11 PolarHBondContact O-N 3.21Å
12	A	71.6	Confident	72	Confident	82 Å²	82	111.5 Å²	111.5	68%	0.678	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	5	168.6	0	0	0	0	0	113.9	S8	S8-A12 PolarHBondContact O-N 3.41Å; S8-A12 VanDerWaalsContact O-N 3.11Å
13	Y	82.3	Confident	74	Confident	120 Å²	120	111.5 Å²	111.5	47%	0.471	59%	0.59	S	S	.	*			trans	-90.2	108.6	-177	-177.4	-94.8	0	0	0	111.7	L10 D18	L10-Y13 WeakPolarHBondContact O-CB 3.42Å; L10-Y13 PolarHBondContact O-N 3.42Å; Y13-D18 WeakPolarHBondContact OH-CB 3.48Å; Y13-D18 VanDerWaalsContact OH-CG 3.32Å; Y13-D18 PolarHBondContact OH-OD2 3.49Å
14	N	80.7	Confident	76.1	Confident	70 Å²	70	108.3 Å²	108.3	37%	0.374	57%	0.566	S	S	.	*			trans	-99.6	106.4	173.2	-178	-6.1	0	0	0	111	L16 T17 D18	N14-L16 PolarHBondContact O-N 3.06Å; N14-L16 WeakPolarHBondContact OD1-CB 3.42Å; N14-L16 PolarHBondContact OD1-N 3.41Å; N14-T17 HydrophobicContact CB-CG2 4.47Å; N14-T17 PolarHBondContact O-N 3.46Å; N14-T17 PolarHBondContact O-OG1 3.31Å; N14-D18 PolarHBondContact O-N 3.34Å
15	S	86.1	Confident	77.7	Confident	49 Å²	49	101 Å²	101	34%	0.343	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-52.4	-36	177.2	-57.1	0	0	0	0	113.8	T17 D18 F25	S15-T17 PolarHBondContact O-N 3.45Å; S15-D18 PolarHBondContact O-N 3.2Å; S15-F25 VanDerWaalsContact O-CE2 3.24Å; S15-F25 WeakPolarHBondContact O-CE2 3.35Å
16	L	82.5	Confident	79.1	Confident	39 Å²	39	99.3 Å²	99.3	20%	0.204	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	-65.9	-18.7	-179.8	-56.2	-179.8	0	0	0	112.7	N14 F25 L34 L39 I40 V46	N14-L16 PolarHBondContact O-N 3.06Å; N14-L16 WeakPolarHBondContact OD1-CB 3.42Å; N14-L16 PolarHBondContact OD1-N 3.41Å; L16-F25 HydrophobicContact CD2-CD1 3.98Å; L16-F25 HydrophobicContact CD2-CD2 4.25Å; L16-F25 HydrophobicContact CD2-CE1 3.83Å; L16-F25 HydrophobicContact CD2-CE2 4.12Å; L16-F25 HydrophobicContact CD2-CG 4.19Å; L16-F25 HydrophobicContact CD2-CZ 3.91Å; L16-L34 HydrophobicContact CD2-CD1 3.86Å; L16-L34 HydrophobicContact CD2-CD2 4.15Å; L16-L39 HydrophobicContact CD1-CB 4.19Å; L16-I40 HydrophobicContact CD1-CD1 4.5Å; L16-I40 HydrophobicContact CD1-CG1 4.26Å; L16-I40 HydrophobicContact CD2-CD1 4.39Å; L16-V46 HydrophobicContact CB-CG1 4.01Å; L16-V46 HydrophobicContact CB-CG2 3.81Å; L16-V46 HydrophobicContact CD1-CG1 3.91Å
17	T	81.9	Confident	80.7	Confident	98 Å²	98	94.4 Å²	94.4	60%	0.601	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-101.7	1.2	175.6	63.3	0	0	0	0	113.6	N14 S15 K19 V46	N14-T17 HydrophobicContact CB-CG2 4.47Å; N14-T17 PolarHBondContact O-N 3.46Å; N14-T17 PolarHBondContact O-OG1 3.31Å; S15-T17 PolarHBondContact O-N 3.45Å; T17-K19 PolarHBondContact O-N 3.22Å; T17-V46 HydrophobicContact CG2-CG2 4.31Å
18	D	85.7	Confident	81.9	Confident	27 Å²	27	95.9 Å²	95.9	14%	0.144	51%	0.506	C	S	.	.			trans	-77.1	118.6	178	175.6	33.6	0	0	0	112.1	Y13 N14 S15 H20 L21 I22	Y13-D18 WeakPolarHBondContact OH-CB 3.48Å; Y13-D18 VanDerWaalsContact OH-CG 3.32Å; Y13-D18 PolarHBondContact OH-OD2 3.49Å; N14-D18 PolarHBondContact O-N 3.34Å; S15-D18 PolarHBondContact O-N 3.2Å; D18-H20 VanDerWaalsContact CG-N 3.35Å; D18-H20 PolarHBondContact O-N 3.31Å; D18-H20 VanDerWaalsContact O-N 3.09Å; D18-H20 IonicContact OD1-CD2 3.96Å; D18-H20 PolarHBondContact OD1-CD2 3.33Å; D18-H20 IonicContact OD1-CG 3.03Å; D18-H20 PolarHBondContact OD1-N 3.12Å; D18-H20 WeakPolarHBondContact OD2-CB 3.31Å; D18-H20 PolarHBondContact OD2-N 2.98Å; D18-L21 HydrophobicContact CB-CB 4.37Å; D18-L21 HydrophobicContact CB-CD1 4.38Å; D18-L21 HydrophobicContact CB-CG 4.45Å; D18-L21 PolarHBondContact O-N 2.91Å; D18-L21 WeakPolarHBondContact OD2-CG 3.4Å; D18-L21 PolarHBondContact OD2-N 3.32Å; D18-I22 PolarHBondContact O-N 3.43Å; D18-I22 VanDerWaalsContact O-N 3.08Å
19	K	85.9	Confident	82.8	Confident	155 Å²	155	102 Å²	102	67%	0.674	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-22	172.9	72.9	-165.9	-178.4	-168.9	0	114.6	T17 I22	T17-K19 PolarHBondContact O-N 3.22Å; K19-I22 VanDerWaalsContact O-CG2 3.27Å; K19-I22 WeakPolarHBondContact O-CG2 3.48Å
20	H	87.1	Confident	83.6	Confident	145 Å²	145	94.6 Å²	94.6	67%	0.671	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-26.8	176.6	-61.1	-75	0	0	0	112.8	D18	D18-H20 VanDerWaalsContact CG-N 3.35Å; D18-H20 PolarHBondContact O-N 3.31Å; D18-H20 VanDerWaalsContact O-N 3.09Å; D18-H20 IonicContact OD1-CD2 3.96Å; D18-H20 PolarHBondContact OD1-CD2 3.33Å; D18-H20 IonicContact OD1-CG 3.03Å; D18-H20 PolarHBondContact OD1-N 3.12Å; D18-H20 WeakPolarHBondContact OD2-CB 3.31Å; D18-H20 PolarHBondContact OD2-N 2.98Å
21	L	87.2	Confident	84.2	Confident	60 Å²	60	92.2 Å²	92.2	31%	0.314	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-6.7	175.8	-64.9	173.5	0	0	0	114	D18 N23 Y24 F25	D18-L21 HydrophobicContact CB-CB 4.37Å; D18-L21 HydrophobicContact CB-CD1 4.38Å; D18-L21 HydrophobicContact CB-CG 4.45Å; D18-L21 PolarHBondContact O-N 2.91Å; D18-L21 WeakPolarHBondContact OD2-CG 3.4Å; D18-L21 PolarHBondContact OD2-N 3.32Å; L21-N23 PolarHBondContact O-N 3.16Å; L21-N23 VanDerWaalsContact O-N 3.09Å; L21-Y24 WeakPolarHBondContact O-CA 3.35Å; L21-Y24 WeakPolarHBondContact O-CB 3.31Å; L21-Y24 PolarHBondContact O-N 3.11Å; L21-F25 HydrophobicContact CB-CD2 3.8Å; L21-F25 HydrophobicContact CB-CE2 3.48Å; L21-F25 VanDerWaalsContact CB-CE2 3.48Å; L21-F25 HydrophobicContact CB-CZ 4.46Å; L21-F25 HydrophobicContact CD1-CE2 3.93Å; L21-F25 HydrophobicContact CD1-CZ 4.39Å; L21-F25 HydrophobicContact CG-CE2 4.3Å; L21-F25 WeakPolarHBondContact O-CD2 3.48Å; L21-F25 PolarHBondContact O-N 3.41Å; L21-F25 VanDerWaalsContact O-N 3.1Å
22	I	83.2	Confident	84.9	Confident	104 Å²	104	92.9 Å²	92.9	53%	0.533	46%	0.464	S	S	.	.	H	α-helix	trans	-50.5	-37.3	-178.8	-162.8	170	0	0	0	113.8	D18 K19 S26	D18-I22 PolarHBondContact O-N 3.43Å; D18-I22 VanDerWaalsContact O-N 3.08Å; K19-I22 VanDerWaalsContact O-CG2 3.27Å; K19-I22 WeakPolarHBondContact O-CG2 3.48Å; I22-S26 WeakPolarHBondContact O-CB 3.32Å; I22-S26 PolarHBondContact O-N 3.45Å; I22-S26 PolarHBondContact O-OG 2.88Å
23	N	85.9	Confident	85.7	Confident	123 Å²	123	94 Å²	94	66%	0.658	46%	0.455	S	S	*	.	H	α-helix	trans	-67.9	-38.3	177.4	-70.6	-2.3	0	0	0	112.4	L21 S26 T27	L21-N23 PolarHBondContact O-N 3.16Å; L21-N23 VanDerWaalsContact O-N 3.09Å; N23-S26 WeakPolarHBondContact CA-OG 3.42Å; N23-S26 PolarHBondContact O-OG 3.36Å; N23-T27 PolarHBondContact O-N 3.39Å; N23-T27 PolarHBondContact O-OG1 3.24Å; N23-T27 VanDerWaalsContact O-OG1 3.11Å
24	Y	87.7	Confident	85.9	Confident	111 Å²	111	88.8 Å²	88.8	44%	0.435	44%	0.435	S	S	.	.	H	α-helix	trans	-66.7	-45.6	176.9	178.6	-100.5	0	0	0	110.9	L21 T27 M30	L21-Y24 WeakPolarHBondContact O-CA 3.35Å; L21-Y24 WeakPolarHBondContact O-CB 3.31Å; L21-Y24 PolarHBondContact O-N 3.11Å; Y24-T27 WeakPolarHBondContact O-CB 3.4Å; Y24-T27 PolarHBondContact O-N 3.12Å; Y24-T27 PolarHBondContact O-OG1 3.28Å; Y24-M30 HydrophobicContact CD1-CG 4.36Å; Y24-M30 HydrophobicContact CE1-CE 3.84Å; Y24-M30 HydrophobicContact CE1-CG 4.19Å; Y24-M30 HydrophobicContact CE1-SD 4.17Å; Y24-M30 HydrophobicContact CE2-CE 4.45Å; Y24-M30 WeakPolarHBondContact O-CB 3.44Å; Y24-M30 WeakPolarHBondContact OH-CE 3.49Å
25	F	85	Confident	86.2	Confident	35 Å²	35	87.7 Å²	87.7	15%	0.154	43%	0.429	C	S	.	.	H	α-helix	trans	-73.7	-26.9	179	-61.9	-53.1	0	0	0	114	S15 L16 L21 T27 M30 L34	S15-F25 VanDerWaalsContact O-CE2 3.24Å; S15-F25 WeakPolarHBondContact O-CE2 3.35Å; L16-F25 HydrophobicContact CD2-CD1 3.98Å; L16-F25 HydrophobicContact CD2-CD2 4.25Å; L16-F25 HydrophobicContact CD2-CE1 3.83Å; L16-F25 HydrophobicContact CD2-CE2 4.12Å; L16-F25 HydrophobicContact CD2-CG 4.19Å; L16-F25 HydrophobicContact CD2-CZ 3.91Å; L21-F25 HydrophobicContact CB-CD2 3.8Å; L21-F25 HydrophobicContact CB-CE2 3.48Å; L21-F25 VanDerWaalsContact CB-CE2 3.48Å; L21-F25 HydrophobicContact CB-CZ 4.46Å; L21-F25 HydrophobicContact CD1-CE2 3.93Å; L21-F25 HydrophobicContact CD1-CZ 4.39Å; L21-F25 HydrophobicContact CG-CE2 4.3Å; L21-F25 WeakPolarHBondContact O-CD2 3.48Å; L21-F25 PolarHBondContact O-N 3.41Å; L21-F25 VanDerWaalsContact O-N 3.1Å; F25-T27 VanDerWaalsContact C-N 3.27Å; F25-T27 PolarHBondContact O-N 3.25Å; F25-M30 HydrophobicContact CD1-CG 3.76Å; F25-M30 HydrophobicContact CE1-CG 4.44Å; F25-L34 HydrophobicContact CB-CD1 4.27Å; F25-L34 HydrophobicContact CD1-CD1 3.61Å; F25-L34 HydrophobicContact CE1-CD1 4.33Å; F25-L34 HydrophobicContact CG-CD1 4.24Å
26	S	83	Confident	86.2	Confident	70 Å²	70	90.9 Å²	90.9	49%	0.49	44%	0.442	S	S	.	.	H	α-helix	trans	-71.4	-16.3	173.4	73	0	0	0	0	114.6	I22 N23 S28	I22-S26 WeakPolarHBondContact O-CB 3.32Å; I22-S26 PolarHBondContact O-N 3.45Å; I22-S26 PolarHBondContact O-OG 2.88Å; N23-S26 WeakPolarHBondContact CA-OG 3.42Å; N23-S26 PolarHBondContact O-OG 3.36Å; S26-S28 PolarHBondContact O-N 3.23Å
27	T	88.4	Confident	86.3	Confident	77 Å²	77	91.8 Å²	91.8	47%	0.472	45%	0.447	S	S	.	.	S	Bend	trans	-63.6	128.4	-179	-66.1	0	0	0	0	110.2	N23 Y24 F25 R29 M30 R31	N23-T27 PolarHBondContact O-N 3.39Å; N23-T27 PolarHBondContact O-OG1 3.24Å; N23-T27 VanDerWaalsContact O-OG1 3.11Å; Y24-T27 WeakPolarHBondContact O-CB 3.4Å; Y24-T27 PolarHBondContact O-N 3.12Å; Y24-T27 PolarHBondContact O-OG1 3.28Å; F25-T27 VanDerWaalsContact C-N 3.27Å; F25-T27 PolarHBondContact O-N 3.25Å; T27-R29 PolarHBondContact O-N 2.83Å; T27-M30 CarbonylContact O-C 3.54Å; T27-M30 WeakPolarHBondContact O-CA 3.35Å; T27-M30 PolarHBondContact O-N 3.23Å; T27-R31 PolarHBondContact O-N 3.43Å
28	S	85.3	Confident	86.3	Confident	84 Å²	84	88.4 Å²	88.4	59%	0.587	43%	0.432	S	S	*	.	H	α-helix	trans	-59	-20	-167.5	-44.6	0	0	0	0	115.9	S26 R32	S26-S28 PolarHBondContact O-N 3.23Å; S28-R32 WeakPolarHBondContact O-CB 3.49Å; S28-R32 PolarHBondContact O-N 2.67Å; S28-R32 PolarHBondContact O-NE 3.36Å
29	R	90	Very high	86.3	Confident	201 Å²	201	89.4 Å²	89.4	76%	0.758	44%	0.437	S	S	*	.	H	α-helix	trans	-74.9	-45.4	169.8	179.7	-179.9	175.7	-172.2	-0.6	111.6	T27 H33	T27-R29 PolarHBondContact O-N 2.83Å; R29-H33 WeakPolarHBondContact O-CB 3.38Å; R29-H33 PolarHBondContact O-N 3.06Å
30	M	88.2	Confident	86.3	Confident	38 Å²	38	82.9 Å²	82.9	19%	0.187	41%	0.409	C	S	.	.	H	α-helix	trans	-73	-42.1	179.7	-167.6	55.6	54.2	0	0	111.6	Y24 F25 T27 R32 H33 L34	Y24-M30 HydrophobicContact CD1-CG 4.36Å; Y24-M30 HydrophobicContact CE1-CE 3.84Å; Y24-M30 HydrophobicContact CE1-CG 4.19Å; Y24-M30 HydrophobicContact CE1-SD 4.17Å; Y24-M30 HydrophobicContact CE2-CE 4.45Å; Y24-M30 WeakPolarHBondContact O-CB 3.44Å; Y24-M30 WeakPolarHBondContact OH-CE 3.49Å; F25-M30 HydrophobicContact CD1-CG 3.76Å; F25-M30 HydrophobicContact CE1-CG 4.44Å; T27-M30 CarbonylContact O-C 3.54Å; T27-M30 WeakPolarHBondContact O-CA 3.35Å; T27-M30 PolarHBondContact O-N 3.23Å; M30-R32 PolarHBondContact O-N 2.99Å; M30-H33 WeakPolarHBondContact O-CB 3.3Å; M30-H33 PolarHBondContact O-N 3.41Å; M30-H33 VanDerWaalsContact O-N 3.12Å; M30-L34 HydrophobicContact CG-CD1 4.09Å; M30-L34 HydrophobicContact CG-CG 4.5Å; M30-L34 WeakPolarHBondContact O-CG 3.3Å; M30-L34 PolarHBondContact O-N 2.95Å; M30-L34 HydrophobicContact SD-CG 4.45Å
31	R	87.9	Confident	86.3	Confident	99 Å²	99	78 Å²	78	37%	0.374	39%	0.39	S	S	.	.	H	α-helix	trans	-57.5	-48.4	174.1	-174.9	174.1	177.4	153.7	2.4	111.7	T27 H33 L34 I35 E42 N43	T27-R31 PolarHBondContact O-N 3.43Å; R31-H33 PolarHBondContact O-N 2.93Å; R31-L34 PolarHBondContact O-N 3.22Å; R31-I35 HydrophobicContact CG-CD1 3.84Å; R31-I35 WeakPolarHBondContact O-CG1 3.48Å; R31-I35 PolarHBondContact O-N 3.34Å; R31-E42 PolarHBondContact NH2-O 2.75Å; R31-N43 PolarHBondContact NH2-O 3.26Å
32	R	87.6	Confident	86.1	Confident	163 Å²	163	82.6 Å²	82.6	62%	0.615	41%	0.409	S	S	*	.	H	α-helix	trans	-60.1	-42.9	172.7	-82.7	-177.1	-72.3	173.6	-5.4	112.3	S28 M30 L34 I35 N36	S28-R32 WeakPolarHBondContact O-CB 3.49Å; S28-R32 PolarHBondContact O-N 2.67Å; S28-R32 PolarHBondContact O-NE 3.36Å; M30-R32 PolarHBondContact O-N 2.99Å; R32-L34 VanDerWaalsContact C-N 3.32Å; R32-L34 PolarHBondContact O-N 3.31Å; R32-I35 PolarHBondContact O-N 3.44Å; R32-N36 VanDerWaalsContact O-CB 3.28Å; R32-N36 WeakPolarHBondContact O-CB 3.35Å; R32-N36 PolarHBondContact O-N 3.04Å; R32-N36 PolarHBondContact O-OD1 3.27Å
33	H	87.4	Confident	86.1	Confident	106 Å²	106	83.8 Å²	83.8	49%	0.491	42%	0.417	S	S	.	.	H	α-helix	trans	-60.7	-39.5	176.6	-176.1	71.7	0	0	0	112.8	R29 M30 R31 N37	R29-H33 WeakPolarHBondContact O-CB 3.38Å; R29-H33 PolarHBondContact O-N 3.06Å; M30-H33 WeakPolarHBondContact O-CB 3.3Å; M30-H33 PolarHBondContact O-N 3.41Å; M30-H33 VanDerWaalsContact O-N 3.12Å; R31-H33 PolarHBondContact O-N 2.93Å; H33-N37 PolarHBondContact CE1-ND2 3.44Å; H33-N37 VanDerWaalsContact CE1-ND2 3.3Å; H33-N37 WeakPolarHBondContact O-CB 3.36Å; H33-N37 PolarHBondContact O-N 3.31Å; H33-N37 VanDerWaalsContact O-N 3.11Å; H33-N37 PolarHBondContact O-ND2 3.36Å
34	L	87.9	Confident	85.7	Confident	10 Å²	10	79.6 Å²	79.6	5%	0.052	40%	0.403	C	S	.	.	H	α-helix	trans	-75.3	-35.7	-179.6	-68.4	171.4	0	0	0	113.2	L16 F25 M30 R31 R32 N37 G38 L39 I40	L16-L34 HydrophobicContact CD2-CD1 3.86Å; L16-L34 HydrophobicContact CD2-CD2 4.15Å; F25-L34 HydrophobicContact CB-CD1 4.27Å; F25-L34 HydrophobicContact CD1-CD1 3.61Å; F25-L34 HydrophobicContact CE1-CD1 4.33Å; F25-L34 HydrophobicContact CG-CD1 4.24Å; M30-L34 HydrophobicContact CG-CD1 4.09Å; M30-L34 HydrophobicContact CG-CG 4.5Å; M30-L34 WeakPolarHBondContact O-CG 3.3Å; M30-L34 PolarHBondContact O-N 2.95Å; M30-L34 HydrophobicContact SD-CG 4.45Å; R31-L34 PolarHBondContact O-N 3.22Å; R32-L34 VanDerWaalsContact C-N 3.32Å; R32-L34 PolarHBondContact O-N 3.31Å; L34-N37 PolarHBondContact O-N 3.42Å; L34-G38 PolarHBondContact O-N 3.18Å; L34-L39 HydrophobicContact CD2-CB 4.18Å; L34-L39 HydrophobicContact CD2-CD1 3.76Å; L34-L39 PolarHBondContact O-N 2.98Å; L34-I40 HydrophobicContact CB-CB 4.3Å; L34-I40 HydrophobicContact CB-CD1 4.14Å; L34-I40 HydrophobicContact CB-CG1 4.08Å; L34-I40 HydrophobicContact CD1-CD1 3.67Å; L34-I40 HydrophobicContact CD1-CG1 4.39Å; L34-I40 HydrophobicContact CG-CD1 4.49Å
35	I	87.2	Confident	85.5	Confident	48 Å²	48	80.1 Å²	80.1	25%	0.246	41%	0.41	C	S	.	.	H	α-helix	trans	-63.2	-52	170	-67.9	164.8	0	0	0	109.7	R31 R32 N37 G38 I40 E42	R31-I35 HydrophobicContact CG-CD1 3.84Å; R31-I35 WeakPolarHBondContact O-CG1 3.48Å; R31-I35 PolarHBondContact O-N 3.34Å; R32-I35 PolarHBondContact O-N 3.44Å; I35-N37 PolarHBondContact O-N 3.43Å; I35-G38 PolarHBondContact O-N 3.22Å; I35-I40 WeakPolarHBondContact CA-O 3.42Å; I35-E42 HydrophobicContact CG2-CG 4.36Å
36	N	85.4	Confident	85.6	Confident	115 Å²	115	80.9 Å²	80.9	62%	0.615	42%	0.417	S	S	*	.	H	α-helix	trans	-64.4	-13.7	179.3	-67.4	29	0	0	0	113.8	R32	R32-N36 VanDerWaalsContact O-CB 3.28Å; R32-N36 WeakPolarHBondContact O-CB 3.35Å; R32-N36 PolarHBondContact O-N 3.04Å; R32-N36 PolarHBondContact O-OD1 3.27Å
37	N	84.4	Confident	85.6	Confident	58 Å²	58	79 Å²	79	31%	0.31	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-3.6	172.4	-83.9	-87	0	0	0	113.8	H33 L34 I35 L39 Y52	H33-N37 PolarHBondContact CE1-ND2 3.44Å; H33-N37 VanDerWaalsContact CE1-ND2 3.3Å; H33-N37 WeakPolarHBondContact O-CB 3.36Å; H33-N37 PolarHBondContact O-N 3.31Å; H33-N37 VanDerWaalsContact O-N 3.11Å; H33-N37 PolarHBondContact O-ND2 3.36Å; L34-N37 PolarHBondContact O-N 3.42Å; I35-N37 PolarHBondContact O-N 3.43Å; N37-L39 HydrophobicContact CB-CD1 4.3Å; N37-L39 HydrophobicContact CB-CG 4.38Å; N37-Y52 VanDerWaalsContact O-CE2 3.3Å; N37-Y52 WeakPolarHBondContact O-CE2 3.25Å
38	G	82.6	Confident	85.4	Confident	28 Å²	28	78.5 Å²	78.5	29%	0.289	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	25.8	-178.7	0	0	0	0	0	114.5	L34 I35 I47 Y52	L34-G38 PolarHBondContact O-N 3.18Å; I35-G38 PolarHBondContact O-N 3.22Å; G38-I47 VanDerWaalsContact O-CD1 3.32Å; G38-I47 WeakPolarHBondContact O-CD1 3.36Å; G38-Y52 VanDerWaalsContact O-CD2 3.27Å; G38-Y52 WeakPolarHBondContact O-CD2 3.3Å
39	L	84.9	Confident	85	Confident	48 Å²	48	80.8 Å²	80.8	25%	0.251	40%	0.401	S	S	.	.	S	Bend	trans	-97.6	-22	180	-68.9	172.1	0	0	0	113.3	L16 L34 N37 I47 Y52	L16-L39 HydrophobicContact CD1-CB 4.19Å; L34-L39 HydrophobicContact CD2-CB 4.18Å; L34-L39 HydrophobicContact CD2-CD1 3.76Å; L34-L39 PolarHBondContact O-N 2.98Å; N37-L39 HydrophobicContact CB-CD1 4.3Å; N37-L39 HydrophobicContact CB-CG 4.38Å; L39-I47 PolarHBondContact O-N 2.67Å; L39-Y52 HydrophobicContact CD2-CD1 3.98Å; L39-Y52 HydrophobicContact CD2-CD2 3.81Å; L39-Y52 HydrophobicContact CD2-CE1 3.88Å; L39-Y52 HydrophobicContact CD2-CE2 3.71Å; L39-Y52 HydrophobicContact CD2-CG 3.94Å; L39-Y52 HydrophobicContact CG-CE2 4.18Å
40	I	87	Confident	84.5	Confident	17 Å²	17	75.3 Å²	75.3	9%	0.087	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-140.2	138.8	178.3	-59.3	-170.7	0	0	0	108.3	L16 L34 I35 G44 E45 V46	L16-I40 HydrophobicContact CD1-CD1 4.5Å; L16-I40 HydrophobicContact CD1-CG1 4.26Å; L16-I40 HydrophobicContact CD2-CD1 4.39Å; L34-I40 HydrophobicContact CB-CB 4.3Å; L34-I40 HydrophobicContact CB-CD1 4.14Å; L34-I40 HydrophobicContact CB-CG1 4.08Å; L34-I40 HydrophobicContact CD1-CD1 3.67Å; L34-I40 HydrophobicContact CD1-CG1 4.39Å; L34-I40 HydrophobicContact CG-CD1 4.49Å; I35-I40 WeakPolarHBondContact CA-O 3.42Å; I40-G44 VanDerWaalsContact CG2-CA 3.48Å; I40-E45 CarbonylContact C-O 3.47Å; I40-E45 VanDerWaalsContact CA-O 3.25Å; I40-E45 WeakPolarHBondContact CA-O 3.39Å; I40-E45 WeakPolarHBondContact CG2-O 3.44Å; I40-V46 HydrophobicContact CD1-CG2 4.42Å; I40-V46 HydrophobicContact CG1-CG2 4.4Å
41	T	85.3	Confident	84.2	Confident	44 Å²	44	78.2 Å²	78.2	27%	0.27	41%	0.406	S	S	.	.			trans	-66.7	163.7	174.5	68	0	0	0	0	111.9	N43 G44 E45 I47	T41-N43 PolarHBondContact O-N 3.24Å; T41-G44 PolarHBondContact O-N 3.11Å; T41-G44 PolarHBondContact OG1-N 3.24Å; T41-E45 HydrophobicContact CG2-CB 4.3Å; T41-E45 PolarHBondContact N-O 2.88Å; T41-E45 WeakPolarHBondContact OG1-CB 3.41Å; T41-E45 PolarHBondContact OG1-N 2.88Å; T41-E45 PolarHBondContact OG1-OE2 3.11Å; T41-I47 HydrophobicContact CG2-CD1 4.16Å; T41-I47 HydrophobicContact CG2-CG1 3.87Å
42	E	83.8	Confident	83.9	Confident	155 Å²	155	76.2 Å²	76.2	72%	0.724	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-37.4	174.9	-61.9	-172.7	165.7	0	0	112.2	R31 I35 G44	R31-E42 PolarHBondContact NH2-O 2.75Å; I35-E42 HydrophobicContact CG2-CG 4.36Å; E42-G44 VanDerWaalsContact C-N 3.26Å; E42-G44 PolarHBondContact O-N 3.13Å
43	N	82.3	Confident	83.4	Confident	129 Å²	129	73.1 Å²	73.1	69%	0.69	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.5	176	-64.8	-25.5	0	0	0	113.3	R31 T41 E45	R31-N43 PolarHBondContact NH2-O 3.26Å; T41-N43 PolarHBondContact O-N 3.24Å; N43-E45 HydrophobicContact CB-CG 4.47Å
44	G	78.8	Confident	82.8	Confident	36 Å²	36	72.5 Å²	72.5	37%	0.371	39%	0.387	S	S	.	.	S	Bend	trans	109.5	14.8	-177.5	0	0	0	0	0	114.6	I40 T41 E42	I40-G44 VanDerWaalsContact CG2-CA 3.48Å; T41-G44 PolarHBondContact O-N 3.11Å; T41-G44 PolarHBondContact OG1-N 3.24Å; E42-G44 VanDerWaalsContact C-N 3.26Å; E42-G44 PolarHBondContact O-N 3.13Å
45	E	83.8	Confident	82.2	Confident	122 Å²	122	74.8 Å²	74.8	57%	0.57	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-90.1	136.6	-178.4	-58.9	165.6	124.2	0	0	110.5	I40 T41 N43 I47	I40-E45 CarbonylContact C-O 3.47Å; I40-E45 VanDerWaalsContact CA-O 3.25Å; I40-E45 WeakPolarHBondContact CA-O 3.39Å; I40-E45 WeakPolarHBondContact CG2-O 3.44Å; T41-E45 HydrophobicContact CG2-CB 4.3Å; T41-E45 PolarHBondContact N-O 2.88Å; T41-E45 WeakPolarHBondContact OG1-CB 3.41Å; T41-E45 PolarHBondContact OG1-N 2.88Å; T41-E45 PolarHBondContact OG1-OE2 3.11Å; N43-E45 HydrophobicContact CB-CG 4.47Å; E45-I47 PolarHBondContact O-N 2.97Å
46	V	85.6	Confident	81.7	Confident	50 Å²	50	75.4 Å²	75.4	30%	0.303	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-77.5	122.1	-176.3	-179	0	0	0	0	110.2	L16 T17 I40	L16-V46 HydrophobicContact CB-CG1 4.01Å; L16-V46 HydrophobicContact CB-CG2 3.81Å; L16-V46 HydrophobicContact CD1-CG1 3.91Å; T17-V46 HydrophobicContact CG2-CG2 4.31Å; I40-V46 HydrophobicContact CD1-CG2 4.42Å; I40-V46 HydrophobicContact CG1-CG2 4.4Å
47	I	83.7	Confident	81	Confident	32 Å²	32	74.7 Å²	74.7	16%	0.164	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-72.4	131.5	-178.1	-67.3	166.6	0	0	0	109.4	G38 L39 T41 E45 E51	G38-I47 VanDerWaalsContact O-CD1 3.32Å; G38-I47 WeakPolarHBondContact O-CD1 3.36Å; L39-I47 PolarHBondContact O-N 2.67Å; T41-I47 HydrophobicContact CG2-CD1 4.16Å; T41-I47 HydrophobicContact CG2-CG1 3.87Å; E45-I47 PolarHBondContact O-N 2.97Å; I47-E51 HydrophobicContact CG2-CB 4.02Å; I47-E51 HydrophobicContact CG2-CG 4.05Å
48	P	83.8	Confident	80.5	Confident	66 Å²	66	75.8 Å²	75.8	43%	0.429	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-56.7	143.7	177.7	-26.4	34.7	0	0	0	113.3	S50 E51 Y52	P48-S50 PolarHBondContact O-N 3.26Å; P48-S50 VanDerWaalsContact O-N 3.1Å; P48-E51 HydrophobicContact CB-CB 4.39Å; P48-E51 WeakPolarHBondContact CD-OE2 3.39Å; P48-E51 PolarHBondContact O-N 3.46Å; P48-E51 VanDerWaalsContact O-N 3.09Å; P48-Y52 PolarHBondContact O-N 3.11Å
49	E	78.2	Confident	80	Confident	132 Å²	132	77.9 Å²	77.9	62%	0.617	40%	0.4	S	S	*	.	H	α-helix	trans	-61.4	-25.8	-177.4	-155	-147.3	-178.6	0	0	113.1	K53	E49-K53 WeakPolarHBondContact O-CB 3.36Å; E49-K53 WeakPolarHBondContact O-CD 3.48Å; E49-K53 WeakPolarHBondContact O-CG 3.47Å; E49-K53 PolarHBondContact O-N 2.98Å; E49-K53 WeakPolarHBondContact OE1-CE 3.42Å; E49-K53 IonicContact OE1-NZ 2.69Å; E49-K53 PolarHBondContact OE1-NZ 3.49Å; E49-K53 IonicContact OE2-NZ 2.74Å; E49-K53 PolarHBondContact OE2-NZ 3.48Å
50	S	77.9	Confident	79.2	Confident	86 Å²	86	79.4 Å²	79.4	60%	0.601	41%	0.408	S	S	*	.	H	α-helix	trans	-67.4	-51.2	172.7	47	0	0	0	0	112.2	P48 K53 E54	P48-S50 PolarHBondContact O-N 3.26Å; P48-S50 VanDerWaalsContact O-N 3.1Å; S50-K53 PolarHBondContact O-N 3.17Å; S50-E54 WeakPolarHBondContact O-CB 3.17Å; S50-E54 PolarHBondContact O-N 2.74Å
51	E	83	Confident	78.2	Confident	98 Å²	98	84.1 Å²	84.1	46%	0.458	43%	0.433	S	S	.	.	H	α-helix	trans	-66.1	-39.2	179.8	-173	-177.3	159.7	0	0	110.9	I47 P48 E54 T55	I47-E51 HydrophobicContact CG2-CB 4.02Å; I47-E51 HydrophobicContact CG2-CG 4.05Å; P48-E51 HydrophobicContact CB-CB 4.39Å; P48-E51 WeakPolarHBondContact CD-OE2 3.39Å; P48-E51 PolarHBondContact O-N 3.46Å; P48-E51 VanDerWaalsContact O-N 3.09Å; E51-E54 PolarHBondContact O-N 3.14Å; E51-T55 WeakPolarHBondContact O-CB 3.49Å; E51-T55 WeakPolarHBondContact O-CG2 3.39Å; E51-T55 PolarHBondContact O-N 3.44Å; E51-T55 PolarHBondContact O-OG1 2.99Å
52	Y	82.2	Confident	77.3	Confident	57 Å²	57	86.3 Å²	86.3	22%	0.224	44%	0.439	C	S	.	.	H	α-helix	trans	-61.3	-44.8	172	179.9	-112.7	0	0	0	112.6	N37 G38 L39 P48 T55 K56	N37-Y52 VanDerWaalsContact O-CE2 3.3Å; N37-Y52 WeakPolarHBondContact O-CE2 3.25Å; G38-Y52 VanDerWaalsContact O-CD2 3.27Å; G38-Y52 WeakPolarHBondContact O-CD2 3.3Å; L39-Y52 HydrophobicContact CD2-CD1 3.98Å; L39-Y52 HydrophobicContact CD2-CD2 3.81Å; L39-Y52 HydrophobicContact CD2-CE1 3.88Å; L39-Y52 HydrophobicContact CD2-CE2 3.71Å; L39-Y52 HydrophobicContact CD2-CG 3.94Å; L39-Y52 HydrophobicContact CG-CE2 4.18Å; P48-Y52 PolarHBondContact O-N 3.11Å; Y52-T55 WeakPolarHBondContact CA-OG1 3.46Å; Y52-T55 PolarHBondContact O-OG1 3.49Å; Y52-T55 VanDerWaalsContact O-OG1 3.05Å; Y52-K56 HydrophobicContact CE2-CD 4.41Å; Y52-K56 VanDerWaalsContact O-CB 3.29Å; Y52-K56 WeakPolarHBondContact O-CB 3.32Å; Y52-K56 PolarHBondContact O-N 3.33Å
53	K	77.2	Confident	76.6	Confident	99 Å²	99	85 Å²	85	43%	0.43	43%	0.427	S	S	.	.	H	α-helix	trans	-62.6	-44	176	-79.4	166	-177.1	166.7	0	111.4	E49 S50 K56 I57	E49-K53 WeakPolarHBondContact O-CB 3.36Å; E49-K53 WeakPolarHBondContact O-CD 3.48Å; E49-K53 WeakPolarHBondContact O-CG 3.47Å; E49-K53 PolarHBondContact O-N 2.98Å; E49-K53 WeakPolarHBondContact OE1-CE 3.42Å; E49-K53 IonicContact OE1-NZ 2.69Å; E49-K53 PolarHBondContact OE1-NZ 3.49Å; E49-K53 IonicContact OE2-NZ 2.74Å; E49-K53 PolarHBondContact OE2-NZ 3.48Å; S50-K53 PolarHBondContact O-N 3.17Å; K53-K56 PolarHBondContact O-N 2.87Å; K53-I57 WeakPolarHBondContact O-CD1 3.44Å; K53-I57 VanDerWaalsContact O-CG1 3.24Å; K53-I57 WeakPolarHBondContact O-CG1 3.4Å; K53-I57 PolarHBondContact O-N 3.21Å
54	E	73.5	Confident	75.5	Confident	93 Å²	93	81.1 Å²	81.1	44%	0.435	41%	0.413	S	S	.	.	H	α-helix	trans	-68	-48.6	-177.3	-158.5	-159.3	132.4	0	0	112.2	S50 E51 K56 I57 R58	S50-E54 WeakPolarHBondContact O-CB 3.17Å; S50-E54 PolarHBondContact O-N 2.74Å; E51-E54 PolarHBondContact O-N 3.14Å; E54-K56 VanDerWaalsContact C-N 3.28Å; E54-K56 PolarHBondContact O-N 2.96Å; E54-I57 WeakPolarHBondContact O-CB 3.43Å; E54-I57 PolarHBondContact O-N 3.42Å; E54-I57 VanDerWaalsContact O-N 3.1Å; E54-R58 WeakPolarHBondContact O-CB 3.17Å; E54-R58 PolarHBondContact O-N 3.21Å; E54-R58 IonicContact OE1-CZ 2.67Å; E54-R58 IonicContact OE1-NE 3.65Å; E54-R58 IonicContact OE1-NH2 2.87Å; E54-R58 PolarHBondContact OE1-NH2 3.34Å
55	T	76.6	Confident	74.7	Confident	57 Å²	57	85.1 Å²	85.1	35%	0.35	42%	0.421	S	S	.	.	H	α-helix	trans	-57.6	-40.3	173.6	50.4	0	0	0	0	111.5	E51 Y52 R58 E59	E51-T55 WeakPolarHBondContact O-CB 3.49Å; E51-T55 WeakPolarHBondContact O-CG2 3.39Å; E51-T55 PolarHBondContact O-N 3.44Å; E51-T55 PolarHBondContact O-OG1 2.99Å; Y52-T55 WeakPolarHBondContact CA-OG1 3.46Å; Y52-T55 PolarHBondContact O-OG1 3.49Å; Y52-T55 VanDerWaalsContact O-OG1 3.05Å; T55-R58 PolarHBondContact O-N 3.29Å; T55-E59 WeakPolarHBondContact O-CG 3.5Å; T55-E59 PolarHBondContact O-N 3.43Å
56	K	76.2	Confident	73.8	Confident	62 Å²	62	81.4 Å²	81.4	27%	0.27	40%	0.404	S	S	.	.	H	α-helix	trans	-67.7	-35.1	175.2	-150.2	75.9	-167.4	164.7	0	113.6	Y52 K53 E54 E59 N60	Y52-K56 HydrophobicContact CE2-CD 4.41Å; Y52-K56 VanDerWaalsContact O-CB 3.29Å; Y52-K56 WeakPolarHBondContact O-CB 3.32Å; Y52-K56 PolarHBondContact O-N 3.33Å; K53-K56 PolarHBondContact O-N 2.87Å; E54-K56 VanDerWaalsContact C-N 3.28Å; E54-K56 PolarHBondContact O-N 2.96Å; K56-E59 WeakPolarHBondContact CD-OE2 3.49Å; K56-E59 WeakPolarHBondContact CE-OE2 3.4Å; K56-E59 IonicContact NZ-OE1 3.62Å; K56-E59 IonicContact NZ-OE2 2.64Å; K56-E59 PolarHBondContact NZ-OE2 3.47Å; K56-N60 WeakPolarHBondContact O-CB 3.3Å; K56-N60 PolarHBondContact O-N 3.25Å; K56-N60 PolarHBondContact O-ND2 3.12Å
57	I	70.8	Confident	72.8	Confident	100 Å²	100	84.9 Å²	84.9	51%	0.513	42%	0.418	S	S	.	.	H	α-helix	trans	-65.1	-47.7	171.3	-71.1	162.1	0	0	0	109.8	K53 E54 E59 N60 L61	K53-I57 WeakPolarHBondContact O-CD1 3.44Å; K53-I57 VanDerWaalsContact O-CG1 3.24Å; K53-I57 WeakPolarHBondContact O-CG1 3.4Å; K53-I57 PolarHBondContact O-N 3.21Å; E54-I57 WeakPolarHBondContact O-CB 3.43Å; E54-I57 PolarHBondContact O-N 3.42Å; E54-I57 VanDerWaalsContact O-N 3.1Å; I57-E59 PolarHBondContact O-N 3.49Å; I57-N60 PolarHBondContact O-N 2.95Å; I57-N60 VanDerWaalsContact O-N 3.08Å; I57-L61 HydrophobicContact CG2-CD1 3.85Å; I57-L61 HydrophobicContact CG2-CG 4.32Å; I57-L61 WeakPolarHBondContact O-CG 3.3Å; I57-L61 PolarHBondContact O-N 3.49Å
58	R	74	Confident	71.8	Confident	81 Å²	81	86.8 Å²	86.8	31%	0.306	43%	0.43	S	S	.	.	H	α-helix	trans	-59.4	-42.3	178.9	-150.6	-175.3	-66	169.2	3.1	111.6	E54 T55 K62 N714	E54-R58 WeakPolarHBondContact O-CB 3.17Å; E54-R58 PolarHBondContact O-N 3.21Å; E54-R58 IonicContact OE1-CZ 2.67Å; E54-R58 IonicContact OE1-NE 3.65Å; E54-R58 IonicContact OE1-NH2 2.87Å; E54-R58 PolarHBondContact OE1-NH2 3.34Å; T55-R58 PolarHBondContact O-N 3.29Å; R58-K62 WeakPolarHBondContact O-CB 3.18Å; R58-K62 VanDerWaalsContact O-CG 3.3Å; R58-K62 WeakPolarHBondContact O-CG 3.23Å; R58-K62 PolarHBondContact O-N 3.03Å; R58-K62 VanDerWaalsContact O-N 3.11Å; R58-N714 PolarHBondContact NH1-ND2 3.37Å; R58-N714 PolarHBondContact NH1-OD1 3.42Å
59	E	72.1	Confident	70.9	Confident	71 Å²	71	84.7 Å²	84.7	33%	0.332	42%	0.415	S	S	.	.	H	α-helix	trans	-61.1	-47.2	170.6	-76.2	-164.7	137.1	0	0	112.9	T55 K56 I57 K62 R63	T55-E59 WeakPolarHBondContact O-CG 3.5Å; T55-E59 PolarHBondContact O-N 3.43Å; K56-E59 WeakPolarHBondContact CD-OE2 3.49Å; K56-E59 WeakPolarHBondContact CE-OE2 3.4Å; K56-E59 IonicContact NZ-OE1 3.62Å; K56-E59 IonicContact NZ-OE2 2.64Å; K56-E59 PolarHBondContact NZ-OE2 3.47Å; I57-E59 PolarHBondContact O-N 3.49Å; E59-K62 WeakPolarHBondContact O-CB 3.4Å; E59-K62 PolarHBondContact O-N 3.38Å; E59-R63 WeakPolarHBondContact O-CG 3.21Å; E59-R63 PolarHBondContact O-N 3.13Å; E59-R63 IonicContact OE1-CZ 2.71Å; E59-R63 IonicContact OE1-NH1 2.93Å; E59-R63 IonicContact OE1-NH2 3.23Å; E59-R63 PolarHBondContact OE1-NH2 3.35Å; E59-R63 IonicContact OE2-CZ 2.77Å; E59-R63 IonicContact OE2-NH1 2.85Å; E59-R63 PolarHBondContact OE2-NH1 2.83Å; E59-R63 IonicContact OE2-NH2 3.83Å; E59-R63 PolarHBondContact OE2-NH2 2.88Å
60	N	67.6	Low	70.3	Confident	81 Å²	81	80.6 Å²	80.6	43%	0.433	40%	0.404	S	S	.	.	H	α-helix	trans	-70.5	-34.6	-173.7	-72.5	-19.4	0	0	0	111.9	K56 I57 R63 A64	K56-N60 WeakPolarHBondContact O-CB 3.3Å; K56-N60 PolarHBondContact O-N 3.25Å; K56-N60 PolarHBondContact O-ND2 3.12Å; I57-N60 PolarHBondContact O-N 2.95Å; I57-N60 VanDerWaalsContact O-N 3.08Å; N60-R63 PolarHBondContact O-N 2.95Å; N60-R63 PolarHBondContact OD1-NH1 3.29Å; N60-R63 VanDerWaalsContact OD1-NH1 3.07Å; N60-A64 WeakPolarHBondContact O-CB 3.23Å; N60-A64 PolarHBondContact O-N 2.84Å
61	L	65.5	Low	69.7	Low	115 Å²	115	82.6 Å²	82.6	60%	0.602	40%	0.404	S	S	*	.	H	α-helix	trans	-62.3	-47.6	168.8	-69.8	171.2	0	0	0	111.1	I57 R63 A64 F65	I57-L61 HydrophobicContact CG2-CD1 3.85Å; I57-L61 HydrophobicContact CG2-CG 4.32Å; I57-L61 WeakPolarHBondContact O-CG 3.3Å; I57-L61 PolarHBondContact O-N 3.49Å; L61-R63 PolarHBondContact O-N 2.69Å; L61-A64 PolarHBondContact O-N 3.14Å; L61-F65 WeakPolarHBondContact O-CB 3.34Å; L61-F65 PolarHBondContact O-N 3.32Å
62	K	67	Low	68.7	Low	90 Å²	90	78.4 Å²	78.4	39%	0.391	39%	0.386	S	S	.	.	H	α-helix	trans	-55.8	-46.1	174.1	-77.5	173.8	175.3	-171.2	0	111.9	R58 E59 F65 L66 F725	R58-K62 WeakPolarHBondContact O-CB 3.18Å; R58-K62 VanDerWaalsContact O-CG 3.3Å; R58-K62 WeakPolarHBondContact O-CG 3.23Å; R58-K62 PolarHBondContact O-N 3.03Å; R58-K62 VanDerWaalsContact O-N 3.11Å; E59-K62 WeakPolarHBondContact O-CB 3.4Å; E59-K62 PolarHBondContact O-N 3.38Å; K62-F65 PolarHBondContact O-N 2.84Å; K62-L66 WeakPolarHBondContact O-CB 3.45Å; K62-L66 WeakPolarHBondContact O-CD1 3.49Å; K62-L66 VanDerWaalsContact O-CG 3.24Å; K62-L66 WeakPolarHBondContact O-CG 3.4Å; K62-L66 PolarHBondContact O-N 2.65Å; K62-F725 HydrophobicContact CB-CZ 4.21Å; K62-F725 HydrophobicContact CD-CE2 4.05Å; K62-F725 HydrophobicContact CD-CZ 3.84Å; K62-F725 HydrophobicContact CG-CZ 4.04Å
63	R	69.5	Low	68	Low	127 Å²	127	77.7 Å²	77.7	48%	0.479	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-47.3	176.4	-71.3	176.8	-172.8	113.9	12.4	112.4	E59 N60 L61 F65 L66 E67	E59-R63 WeakPolarHBondContact O-CG 3.21Å; E59-R63 PolarHBondContact O-N 3.13Å; E59-R63 IonicContact OE1-CZ 2.71Å; E59-R63 IonicContact OE1-NH1 2.93Å; E59-R63 IonicContact OE1-NH2 3.23Å; E59-R63 PolarHBondContact OE1-NH2 3.35Å; E59-R63 IonicContact OE2-CZ 2.77Å; E59-R63 IonicContact OE2-NH1 2.85Å; E59-R63 PolarHBondContact OE2-NH1 2.83Å; E59-R63 IonicContact OE2-NH2 3.83Å; E59-R63 PolarHBondContact OE2-NH2 2.88Å; N60-R63 PolarHBondContact O-N 2.95Å; N60-R63 PolarHBondContact OD1-NH1 3.29Å; N60-R63 VanDerWaalsContact OD1-NH1 3.07Å; L61-R63 PolarHBondContact O-N 2.69Å; R63-F65 PolarHBondContact O-N 3.31Å; R63-L66 PolarHBondContact O-N 3.36Å; R63-E67 PolarHBondContact O-N 3.11Å
64	A	58.8	Low	67.7	Low	49 Å²	49	76.7 Å²	76.7	41%	0.405	39%	0.387	S	S	.	.	H	α-helix	trans	-64.7	-39.3	179.6	0	0	0	0	0	112.6	N60 L61 E67 V68	N60-A64 WeakPolarHBondContact O-CB 3.23Å; N60-A64 PolarHBondContact O-N 2.84Å; L61-A64 PolarHBondContact O-N 3.14Å; A64-E67 PolarHBondContact O-N 3.15Å; A64-V68 WeakPolarHBondContact O-CG2 3.41Å; A64-V68 PolarHBondContact O-N 2.89Å
65	F	61.5	Low	67.4	Low	120 Å²	120	75.3 Å²	75.3	53%	0.526	38%	0.381	S	S	.	.	H	α-helix	trans	-64.3	-42.4	175.9	-177	-112.7	0	0	0	112.1	L61 K62 R63 V68 I69	L61-F65 WeakPolarHBondContact O-CB 3.34Å; L61-F65 PolarHBondContact O-N 3.32Å; K62-F65 PolarHBondContact O-N 2.84Å; R63-F65 PolarHBondContact O-N 3.31Å; F65-V68 PolarHBondContact O-N 3.27Å; F65-I69 HydrophobicContact CD1-CD1 3.92Å; F65-I69 HydrophobicContact CE1-CD1 3.43Å; F65-I69 VanDerWaalsContact CE1-CD1 3.43Å; F65-I69 HydrophobicContact CE2-CD1 4.19Å; F65-I69 HydrophobicContact CG-CD1 4.5Å; F65-I69 HydrophobicContact CZ-CD1 3.59Å; F65-I69 HydrophobicContact CZ-CG1 4.49Å; F65-I69 PolarHBondContact O-N 2.95Å
66	L	64.2	Low	67.2	Low	43 Å²	43	76 Å²	76	23%	0.225	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-40.3	174.3	-70.9	165.5	0	0	0	112.3	K62 R63 I69 A70 F725 L726 L729	K62-L66 WeakPolarHBondContact O-CB 3.45Å; K62-L66 WeakPolarHBondContact O-CD1 3.49Å; K62-L66 VanDerWaalsContact O-CG 3.24Å; K62-L66 WeakPolarHBondContact O-CG 3.4Å; K62-L66 PolarHBondContact O-N 2.65Å; R63-L66 PolarHBondContact O-N 3.36Å; L66-I69 PolarHBondContact O-N 2.96Å; L66-A70 VanDerWaalsContact O-CB 3.27Å; L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 3.36Å; L66-F725 HydrophobicContact CD1-CE1 4.2Å; L66-F725 HydrophobicContact CD1-CZ 4.43Å; L66-F725 HydrophobicContact CD2-CE1 4.37Å; L66-L726 HydrophobicContact CD2-CD2 3.56Å; L66-L729 HydrophobicContact CD1-CD1 3.46Å; L66-L729 VanDerWaalsContact CD1-CD1 3.46Å
67	E	65.9	Low	66.9	Low	124 Å²	124	75.4 Å²	75.4	58%	0.579	38%	0.383	S	S	*	.	H	α-helix	trans	-60.9	-44.3	174.5	-172.7	178	-177.4	0	0	111.4	R63 A64 A70 H71	R63-E67 PolarHBondContact O-N 3.11Å; A64-E67 PolarHBondContact O-N 3.15Å; E67-A70 PolarHBondContact O-N 2.89Å; E67-H71 WeakPolarHBondContact O-CB 3.43Å; E67-H71 PolarHBondContact O-CD2 3.24Å; E67-H71 PolarHBondContact O-N 3.35Å
68	V	62.8	Low	66.8	Low	71 Å²	71	73.3 Å²	73.3	43%	0.43	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-44.6	175.9	169.1	0	0	0	0	111.9	A64 F65 H71 A72 L557	A64-V68 WeakPolarHBondContact O-CG2 3.41Å; A64-V68 PolarHBondContact O-N 2.89Å; F65-V68 PolarHBondContact O-N 3.27Å; V68-H71 PolarHBondContact O-N 3.13Å; V68-A72 WeakPolarHBondContact O-CB 3.35Å; V68-A72 PolarHBondContact O-N 2.7Å; V68-L557 HydrophobicContact CG1-CD1 4.08Å; V68-L557 HydrophobicContact CG1-CD2 3.59Å; V68-L557 HydrophobicContact CG1-CG 4.49Å
69	I	64	Low	66.6	Low	22 Å²	22	71.5 Å²	71.5	11%	0.113	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-46.2	176.4	-74.2	178	0	0	0	111.1	F65 L66 H71 A72 I73 F550 L554	F65-I69 HydrophobicContact CD1-CD1 3.92Å; F65-I69 HydrophobicContact CE1-CD1 3.43Å; F65-I69 VanDerWaalsContact CE1-CD1 3.43Å; F65-I69 HydrophobicContact CE2-CD1 4.19Å; F65-I69 HydrophobicContact CG-CD1 4.5Å; F65-I69 HydrophobicContact CZ-CD1 3.59Å; F65-I69 HydrophobicContact CZ-CG1 4.49Å; F65-I69 PolarHBondContact O-N 2.95Å; L66-I69 PolarHBondContact O-N 2.96Å; I69-H71 VanDerWaalsContact C-N 3.32Å; I69-H71 PolarHBondContact O-N 2.99Å; I69-A72 PolarHBondContact O-N 2.95Å; I69-I73 HydrophobicContact CG2-CD1 3.61Å; I69-I73 HydrophobicContact CG2-CG1 4.41Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.05Å; I69-I73 PolarHBondContact O-N 3.13Å; I69-F550 HydrophobicContact CG2-CE1 4.34Å; I69-L554 HydrophobicContact CD1-CD2 4.08Å; I69-L554 HydrophobicContact CG1-CD2 4.06Å
70	A	66.1	Low	66.4	Low	47 Å²	47	71.4 Å²	71.4	39%	0.388	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-42.6	177.5	0	0	0	0	0	111.4	L66 E67 I73 V74	L66-A70 VanDerWaalsContact O-CB 3.27Å; L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 3.36Å; E67-A70 PolarHBondContact O-N 2.89Å; A70-I73 PolarHBondContact O-N 2.77Å; A70-V74 WeakPolarHBondContact O-CB 3.47Å; A70-V74 VanDerWaalsContact O-CG2 3.32Å; A70-V74 WeakPolarHBondContact O-CG2 3.47Å; A70-V74 PolarHBondContact O-N 3.01Å
71	H	64.8	Low	66.8	Low	128 Å²	128	70.5 Å²	70.5	59%	0.593	36%	0.364	S	S	*	.	H	α-helix	trans	-61.9	-44.8	174	-90	-124.5	0	0	0	112.5	E67 V68 I69 I73 V74 E75	E67-H71 WeakPolarHBondContact O-CB 3.43Å; E67-H71 PolarHBondContact O-CD2 3.24Å; E67-H71 PolarHBondContact O-N 3.35Å; V68-H71 PolarHBondContact O-N 3.13Å; I69-H71 VanDerWaalsContact C-N 3.32Å; I69-H71 PolarHBondContact O-N 2.99Å; H71-I73 PolarHBondContact O-N 2.75Å; H71-V74 PolarHBondContact O-N 2.71Å; H71-E75 WeakPolarHBondContact O-CB 3.31Å; H71-E75 PolarHBondContact O-N 3.25Å
72	A	62	Low	67.1	Low	9 Å²	9	66.2 Å²	66.2	7%	0.074	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-41.5	176.7	0	0	0	0	0	112.2	V68 I69 K76 L557	V68-A72 WeakPolarHBondContact O-CB 3.35Å; V68-A72 PolarHBondContact O-N 2.7Å; I69-A72 PolarHBondContact O-N 2.95Å; A72-K76 WeakPolarHBondContact O-CB 3.3Å; A72-K76 PolarHBondContact O-N 3.01Å; A72-L557 HydrophobicContact CB-CD2 4.29Å
73	I	67.6	Low	67.5	Low	42 Å²	42	64.6 Å²	64.6	22%	0.215	34%	0.336	C	S	.	.	H	α-helix	trans	-64.1	-44.4	175.5	-70.4	164.8	0	0	0	111.3	I69 A70 H71 S77 Y549 F550	I69-I73 HydrophobicContact CG2-CD1 3.61Å; I69-I73 HydrophobicContact CG2-CG1 4.41Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.05Å; I69-I73 PolarHBondContact O-N 3.13Å; A70-I73 PolarHBondContact O-N 2.77Å; H71-I73 PolarHBondContact O-N 2.75Å; I73-S77 WeakPolarHBondContact O-CB 3.49Å; I73-S77 PolarHBondContact O-N 3.32Å; I73-S77 VanDerWaalsContact O-N 3.08Å; I73-S77 PolarHBondContact O-OG 3.44Å; I73-Y549 HydrophobicContact CG2-CE1 4.28Å; I73-Y549 PolarHBondContact O-OH 3.24Å; I73-F550 HydrophobicContact CD1-CD1 4.4Å; I73-F550 HydrophobicContact CD1-CE1 3.64Å; I73-F550 HydrophobicContact CD1-CE2 3.91Å; I73-F550 HydrophobicContact CD1-CZ 3.36Å; I73-F550 HydrophobicContact CG1-CZ 4.4Å
74	V	70.6	Confident	67.9	Low	78 Å²	78	64.9 Å²	64.9	47%	0.473	34%	0.337	S	S	.	.	H	α-helix	trans	-69.4	-39.8	178.8	170.9	0	0	0	0	111.2	A70 H71 S77 L78	A70-V74 WeakPolarHBondContact O-CB 3.47Å; A70-V74 VanDerWaalsContact O-CG2 3.32Å; A70-V74 WeakPolarHBondContact O-CG2 3.47Å; A70-V74 PolarHBondContact O-N 3.01Å; H71-V74 PolarHBondContact O-N 2.71Å; V74-S77 PolarHBondContact O-OG 3.35Å; V74-S77 VanDerWaalsContact O-OG 3.11Å; V74-L78 HydrophobicContact CG1-CD1 3.81Å; V74-L78 HydrophobicContact CG1-CG 4.44Å; V74-L78 WeakPolarHBondContact O-CB 3.17Å; V74-L78 WeakPolarHBondContact O-CD1 3.35Å; V74-L78 WeakPolarHBondContact O-CG 3.48Å; V74-L78 PolarHBondContact O-N 2.87Å
75	E	68.3	Low	68.7	Low	65 Å²	65	64.5 Å²	64.5	30%	0.304	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-48.3	176.7	176.4	157.7	-137.1	0	0	112	H71 S77 E79 Y350 G351 F352	H71-E75 WeakPolarHBondContact O-CB 3.31Å; H71-E75 PolarHBondContact O-N 3.25Å; E75-S77 PolarHBondContact O-N 3.27Å; E75-E79 PolarHBondContact O-N 3.13Å; E75-Y350 VanDerWaalsContact OE1-O 3.1Å; E75-G351 WeakPolarHBondContact OE1-CA 3.46Å; E75-F352 WeakPolarHBondContact OE1-CE2 3.32Å
76	K	73	Confident	69.3	Low	71 Å²	71	58.9 Å²	58.9	31%	0.309	30%	0.302	S	S	.	.	H	α-helix	trans	-64.1	-39.6	-178.5	-175.1	80.2	174.7	-152.8	0	112.3	A72 E79 V80 Y549 A552 A553	A72-K76 WeakPolarHBondContact O-CB 3.3Å; A72-K76 PolarHBondContact O-N 3.01Å; K76-E79 PolarHBondContact O-N 2.87Å; K76-E79 VanDerWaalsContact O-N 3.16Å; K76-V80 WeakPolarHBondContact O-CG2 3.25Å; K76-V80 PolarHBondContact O-N 2.97Å; K76-Y549 HydrophobicContact CB-CE2 4.29Å; K76-Y549 WeakPolarHBondContact CB-OH 3.35Å; K76-Y549 HydrophobicContact CG-CD2 4.46Å; K76-Y549 HydrophobicContact CG-CE2 3.64Å; K76-A552 WeakPolarHBondContact CE-O 3.37Å; K76-A552 PolarHBondContact NZ-O 3.03Å; K76-A553 HydrophobicContact CB-CB 4.46Å; K76-A553 HydrophobicContact CG-CB 4.43Å
77	S	68.5	Low	70	Confident	49 Å²	49	63 Å²	63	34%	0.343	32%	0.319	S	S	.	.	H	α-helix	trans	-73.4	-44.1	-176.1	48.2	0	0	0	0	110.3	I73 V74 E75 E79 V80 E81 Y549	I73-S77 WeakPolarHBondContact O-CB 3.49Å; I73-S77 PolarHBondContact O-N 3.32Å; I73-S77 VanDerWaalsContact O-N 3.08Å; I73-S77 PolarHBondContact O-OG 3.44Å; V74-S77 PolarHBondContact O-OG 3.35Å; V74-S77 VanDerWaalsContact O-OG 3.11Å; E75-S77 PolarHBondContact O-N 3.27Å; S77-E79 PolarHBondContact O-N 3.34Å; S77-V80 PolarHBondContact O-N 3.05Å; S77-E81 PolarHBondContact O-N 2.98Å; S77-Y549 WeakPolarHBondContact CA-OH 3.36Å; S77-Y549 WeakPolarHBondContact CB-OH 3.49Å; S77-Y549 PolarHBondContact N-OH 2.91Å
78	L	69.2	Low	70.6	Confident	57 Å²	57	61.5 Å²	61.5	30%	0.298	31%	0.314	S	S	.	.	H	α-helix	trans	-60.4	-33.2	170	-65.8	171.3	0	0	0	111.1	V74 R82 F401	V74-L78 HydrophobicContact CG1-CD1 3.81Å; V74-L78 HydrophobicContact CG1-CG 4.44Å; V74-L78 WeakPolarHBondContact O-CB 3.17Å; V74-L78 WeakPolarHBondContact O-CD1 3.35Å; V74-L78 WeakPolarHBondContact O-CG 3.48Å; V74-L78 PolarHBondContact O-N 2.87Å; L78-R82 VanDerWaalsContact C-CZ 3.41Å; L78-R82 VanDerWaalsContact CB-CZ 3.49Å; L78-R82 WeakPolarHBondContact O-CD 3.12Å; L78-R82 WeakPolarHBondContact O-CG 3.31Å; L78-R82 PolarHBondContact O-N 2.88Å; L78-R82 PolarHBondContact O-NE 2.8Å; L78-F401 HydrophobicContact CD2-CD2 4.46Å
79	E	70.8	Confident	71.3	Confident	42 Å²	42	62.3 Å²	62.3	20%	0.196	31%	0.313	C	S	.	.	H	α-helix	trans	-72.1	-43.2	175.3	-170.4	57.6	-167.8	0	0	113.4	E75 K76 S77 E81 R82 L83 Y350	E75-E79 PolarHBondContact O-N 3.13Å; K76-E79 PolarHBondContact O-N 2.87Å; K76-E79 VanDerWaalsContact O-N 3.16Å; S77-E79 PolarHBondContact O-N 3.34Å; E79-E81 VanDerWaalsContact C-N 3.3Å; E79-E81 PolarHBondContact O-N 3.05Å; E79-R82 VanDerWaalsContact CA-NH1 3.29Å; E79-R82 CarbonylContact O-C 3.5Å; E79-R82 WeakPolarHBondContact O-CA 3.33Å; E79-R82 PolarHBondContact O-N 3.38Å; E79-R82 VanDerWaalsContact OE2-CD 3.31Å; E79-R82 WeakPolarHBondContact OE2-CD 3.24Å; E79-R82 IonicContact OE2-CZ 2.64Å; E79-R82 IonicContact OE2-NE 2.72Å; E79-R82 IonicContact OE2-NH1 3.15Å; E79-R82 PolarHBondContact OE2-NH1 3.49Å; E79-L83 WeakPolarHBondContact O-CG 3.31Å; E79-L83 PolarHBondContact O-N 3.37Å; E79-L83 WeakPolarHBondContact OE1-CD2 3.38Å; E79-Y350 WeakPolarHBondContact OE2-CD1 3.45Å
80	V	67.9	Low	72.1	Confident	70 Å²	70	66.4 Å²	66.4	42%	0.424	33%	0.327	S	S	.	.	H	α-helix	trans	-57.7	-44.4	173.1	173.6	0	0	0	0	110.7	K76 S77 R82 L83 R84 Y549	K76-V80 WeakPolarHBondContact O-CG2 3.25Å; K76-V80 PolarHBondContact O-N 2.97Å; S77-V80 PolarHBondContact O-N 3.05Å; V80-R82 VanDerWaalsContact C-N 3.33Å; V80-R82 PolarHBondContact O-N 2.88Å; V80-L83 PolarHBondContact O-N 3.22Å; V80-R84 WeakPolarHBondContact O-CB 3.27Å; V80-R84 PolarHBondContact O-N 3.18Å; V80-Y549 HydrophobicContact CG2-CE2 4.41Å
81	E	75.6	Confident	73.1	Confident	61 Å²	61	67.2 Å²	67.2	29%	0.285	33%	0.325	S	S	.	.	H	α-helix	trans	-66.5	-34.6	173.3	180	60.6	-174.9	0	0	112.2	S77 E79 R84 Q85	S77-E81 PolarHBondContact O-N 2.98Å; E79-E81 VanDerWaalsContact C-N 3.3Å; E79-E81 PolarHBondContact O-N 3.05Å; E81-R84 VanDerWaalsContact CD-NH2 3.3Å; E81-R84 PolarHBondContact O-N 2.79Å; E81-R84 IonicContact OE1-CZ 3.39Å; E81-R84 IonicContact OE1-NE 3.22Å; E81-R84 IonicContact OE1-NH2 2.72Å; E81-R84 PolarHBondContact OE1-NH2 3.2Å; E81-R84 IonicContact OE2-CZ 3.15Å; E81-R84 VanDerWaalsContact OE2-CZ 3.23Å; E81-R84 IonicContact OE2-NE 2.74Å; E81-R84 PolarHBondContact OE2-NE 3.4Å; E81-R84 IonicContact OE2-NH2 3.5Å; E81-R84 PolarHBondContact OE2-NH2 3.36Å; E81-Q85 HydrophobicContact CG-CG 4.25Å; E81-Q85 VanDerWaalsContact O-CB 3.29Å; E81-Q85 WeakPolarHBondContact O-CB 3.43Å; E81-Q85 WeakPolarHBondContact O-CG 3.32Å; E81-Q85 PolarHBondContact O-N 2.81Å; E81-Q85 WeakPolarHBondContact OE1-CG 3.48Å; E81-Q85 PolarHBondContact OE1-NE2 2.68Å
82	R	70.7	Confident	73.9	Confident	26 Å²	26	66.1 Å²	66.1	10%	0.098	32%	0.323	C	S	.	.	H	α-helix	trans	-40.6	-62.8	161.6	60.1	59.2	-170.4	158.1	2.7	111.6	L78 E79 V80 G86	L78-R82 VanDerWaalsContact C-CZ 3.41Å; L78-R82 VanDerWaalsContact CB-CZ 3.49Å; L78-R82 WeakPolarHBondContact O-CD 3.12Å; L78-R82 WeakPolarHBondContact O-CG 3.31Å; L78-R82 PolarHBondContact O-N 2.88Å; L78-R82 PolarHBondContact O-NE 2.8Å; E79-R82 VanDerWaalsContact CA-NH1 3.29Å; E79-R82 CarbonylContact O-C 3.5Å; E79-R82 WeakPolarHBondContact O-CA 3.33Å; E79-R82 PolarHBondContact O-N 3.38Å; E79-R82 VanDerWaalsContact OE2-CD 3.31Å; E79-R82 WeakPolarHBondContact OE2-CD 3.24Å; E79-R82 IonicContact OE2-CZ 2.64Å; E79-R82 IonicContact OE2-NE 2.72Å; E79-R82 IonicContact OE2-NH1 3.15Å; E79-R82 PolarHBondContact OE2-NH1 3.49Å; V80-R82 VanDerWaalsContact C-N 3.33Å; V80-R82 PolarHBondContact O-N 2.88Å; R82-G86 PolarHBondContact O-N 3.13Å
83	L	76.6	Confident	74.8	Confident	55 Å²	55	68.8 Å²	68.8	29%	0.288	33%	0.334	S	S	.	.	H	α-helix	trans	-69.2	-40.6	-175.5	-55.8	-171.4	0	0	0	112	E79 V80 G86 K87 I261	E79-L83 WeakPolarHBondContact O-CG 3.31Å; E79-L83 PolarHBondContact O-N 3.37Å; E79-L83 WeakPolarHBondContact OE1-CD2 3.38Å; V80-L83 PolarHBondContact O-N 3.22Å; L83-G86 CarbonylContact O-C 3.48Å; L83-G86 PolarHBondContact O-N 3.38Å; L83-K87 PolarHBondContact O-N 3.37Å; L83-I261 HydrophobicContact CB-CD1 3.9Å; L83-I261 HydrophobicContact CD1-CD1 3.86Å; L83-I261 HydrophobicContact CD2-CD1 3.72Å; L83-I261 HydrophobicContact CG-CD1 4Å
84	R	77.9	Confident	75.5	Confident	133 Å²	133	72.2 Å²	72.2	50%	0.502	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-46.9	177.2	-165.2	-173.4	69.5	107.4	2.4	111.7	V80 E81 G86 K87 L88	V80-R84 WeakPolarHBondContact O-CB 3.27Å; V80-R84 PolarHBondContact O-N 3.18Å; E81-R84 VanDerWaalsContact CD-NH2 3.3Å; E81-R84 PolarHBondContact O-N 2.79Å; E81-R84 IonicContact OE1-CZ 3.39Å; E81-R84 IonicContact OE1-NE 3.22Å; E81-R84 IonicContact OE1-NH2 2.72Å; E81-R84 PolarHBondContact OE1-NH2 3.2Å; E81-R84 IonicContact OE2-CZ 3.15Å; E81-R84 VanDerWaalsContact OE2-CZ 3.23Å; E81-R84 IonicContact OE2-NE 2.74Å; E81-R84 PolarHBondContact OE2-NE 3.4Å; E81-R84 IonicContact OE2-NH2 3.5Å; E81-R84 PolarHBondContact OE2-NH2 3.36Å; R84-G86 VanDerWaalsContact C-N 3.29Å; R84-G86 PolarHBondContact O-N 2.99Å; R84-K87 WeakPolarHBondContact O-CB 3.49Å; R84-K87 PolarHBondContact O-N 2.69Å; R84-L88 PolarHBondContact O-N 3.43Å
85	Q	75	Confident	76.2	Confident	41 Å²	41	72.9 Å²	72.9	19%	0.192	35%	0.349	C	S	.	.	H	α-helix	trans	-63.9	-35.2	174.4	-69.1	175.9	4.9	0	0	111.8	E81 Q89	E81-Q85 HydrophobicContact CG-CG 4.25Å; E81-Q85 VanDerWaalsContact O-CB 3.29Å; E81-Q85 WeakPolarHBondContact O-CB 3.43Å; E81-Q85 WeakPolarHBondContact O-CG 3.32Å; E81-Q85 PolarHBondContact O-N 2.81Å; E81-Q85 WeakPolarHBondContact OE1-CG 3.48Å; E81-Q85 PolarHBondContact OE1-NE2 2.68Å; Q85-Q89 WeakPolarHBondContact O-CB 3.41Å; Q85-Q89 PolarHBondContact O-N 2.81Å
86	G	74.1	Confident	76.9	Confident	2 Å²	2	73.9 Å²	73.9	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-72.7	-25.1	174.6	0	0	0	0	0	114.7	R82 L83 R84 R90	R82-G86 PolarHBondContact O-N 3.13Å; L83-G86 CarbonylContact O-C 3.48Å; L83-G86 PolarHBondContact O-N 3.38Å; R84-G86 VanDerWaalsContact C-N 3.29Å; R84-G86 PolarHBondContact O-N 2.99Å; G86-R90 PolarHBondContact O-NE 2.9Å
87	K	78.4	Confident	77.4	Confident	131 Å²	131	76 Å²	76	57%	0.57	37%	0.368	S	S	*	.	H	α-helix	trans	-71.3	-59.8	167.7	-174.6	179.7	172.9	-175.1	0	109.3	L83 R84 Q89 R90 D91	L83-K87 PolarHBondContact O-N 3.37Å; R84-K87 WeakPolarHBondContact O-CB 3.49Å; R84-K87 PolarHBondContact O-N 2.69Å; K87-Q89 VanDerWaalsContact C-N 3.25Å; K87-Q89 PolarHBondContact O-N 3.16Å; K87-Q89 VanDerWaalsContact O-N 3.07Å; K87-R90 WeakPolarHBondContact O-CA 3.36Å; K87-R90 WeakPolarHBondContact O-CB 3.42Å; K87-R90 PolarHBondContact O-N 2.97Å; K87-D91 PolarHBondContact O-N 2.82Å
88	L	78.4	Confident	78.3	Confident	91 Å²	91	78.3 Å²	78.3	48%	0.476	38%	0.377	S	S	.	.	H	α-helix	trans	-52.6	-37.7	179.8	-177.9	62.6	0	0	0	113.7	R84 D91 L92	R84-L88 PolarHBondContact O-N 3.43Å; L88-D91 PolarHBondContact O-N 3.13Å; L88-L92 HydrophobicContact CD1-CD1 4.34Å; L88-L92 HydrophobicContact CD1-CG 4.3Å; L88-L92 HydrophobicContact CG-CD1 4.12Å; L88-L92 WeakPolarHBondContact O-CB 3.27Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.44Å; L88-L92 PolarHBondContact O-N 2.97Å
89	Q	78.5	Confident	78.9	Confident	88 Å²	88	80.4 Å²	80.4	41%	0.411	39%	0.388	S	S	.	.	H	α-helix	trans	-65.9	-36.8	175.9	-175.9	178.1	-19.1	0	0	113.1	Q85 K87 E93	Q85-Q89 WeakPolarHBondContact O-CB 3.41Å; Q85-Q89 PolarHBondContact O-N 2.81Å; K87-Q89 VanDerWaalsContact C-N 3.25Å; K87-Q89 PolarHBondContact O-N 3.16Å; K87-Q89 VanDerWaalsContact O-N 3.07Å; Q89-E93 WeakPolarHBondContact O-CB 3.41Å; Q89-E93 PolarHBondContact O-N 2.84Å
90	R	80.7	Confident	79.5	Confident	109 Å²	109	85.5 Å²	85.5	41%	0.411	41%	0.41	S	S	.	.	H	α-helix	trans	-69.1	-45.5	174.9	-73.5	175.8	-76.2	161	-3.2	110.3	G86 K87 L92 E93 E94	G86-R90 PolarHBondContact O-NE 2.9Å; K87-R90 WeakPolarHBondContact O-CA 3.36Å; K87-R90 WeakPolarHBondContact O-CB 3.42Å; K87-R90 PolarHBondContact O-N 2.97Å; R90-L92 VanDerWaalsContact C-N 3.33Å; R90-L92 PolarHBondContact O-N 2.87Å; R90-E93 WeakPolarHBondContact O-CB 3.46Å; R90-E93 PolarHBondContact O-N 2.83Å; R90-E94 PolarHBondContact O-N 3.29Å
91	D	86.6	Confident	80.4	Confident	64 Å²	64	85.5 Å²	85.5	34%	0.342	41%	0.41	S	S	.	.	H	α-helix	trans	-60.4	-42.7	-179.6	-49.6	-19	0	0	0	110.9	K87 L88 E94 L95	K87-D91 PolarHBondContact O-N 2.82Å; L88-D91 PolarHBondContact O-N 3.13Å; D91-E94 PolarHBondContact O-N 2.92Å; D91-L95 WeakPolarHBondContact O-CB 3.45Å; D91-L95 VanDerWaalsContact O-CG 3.27Å; D91-L95 WeakPolarHBondContact O-CG 3.37Å; D91-L95 PolarHBondContact O-N 2.79Å
92	L	81.5	Confident	80.8	Confident	104 Å²	104	88.3 Å²	88.3	55%	0.545	42%	0.421	S	S	.	.	H	α-helix	trans	-64.6	-36.9	173.4	-74.2	170.6	0	0	0	113.1	L88 R90 C96	L88-L92 HydrophobicContact CD1-CD1 4.34Å; L88-L92 HydrophobicContact CD1-CG 4.3Å; L88-L92 HydrophobicContact CG-CD1 4.12Å; L88-L92 WeakPolarHBondContact O-CB 3.27Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.44Å; L88-L92 PolarHBondContact O-N 2.97Å; R90-L92 VanDerWaalsContact C-N 3.33Å; R90-L92 PolarHBondContact O-N 2.87Å; L92-C96 VanDerWaalsContact O-CB 3.31Å; L92-C96 WeakPolarHBondContact O-CB 3.35Å; L92-C96 PolarHBondContact O-N 3.21Å
93	E	80.5	Confident	81.4	Confident	66 Å²	66	95.8 Å²	95.8	31%	0.308	45%	0.449	S	S	.	.	H	α-helix	trans	-70.4	-37.3	176.6	-159.2	-168.7	-144	0	0	111.3	Q89 R90 C96 R97 S176	Q89-E93 WeakPolarHBondContact O-CB 3.41Å; Q89-E93 PolarHBondContact O-N 2.84Å; R90-E93 WeakPolarHBondContact O-CB 3.46Å; R90-E93 PolarHBondContact O-N 2.83Å; E93-C96 WeakPolarHBondContact O-CB 3.42Å; E93-C96 PolarHBondContact O-N 2.93Å; E93-R97 VanDerWaalsContact CD-NH1 3.3Å; E93-R97 VanDerWaalsContact CG-NH1 3.33Å; E93-R97 WeakPolarHBondContact O-CG 3.32Å; E93-R97 PolarHBondContact O-N 3.29Å; E93-R97 IonicContact OE1-NH2 3.64Å; E93-R97 IonicContact OE2-CZ 2.63Å; E93-R97 IonicContact OE2-NH1 2.71Å; E93-R97 PolarHBondContact OE2-NH1 3.49Å; E93-R97 IonicContact OE2-NH2 3.62Å; E93-R97 PolarHBondContact OE2-NH2 3.03Å; E93-S176 VanDerWaalsContact CD-OG 3.23Å; E93-S176 PolarHBondContact OE1-OG 3.48Å; E93-S176 PolarHBondContact OE2-OG 3.43Å
94	E	82.8	Confident	81.7	Confident	113 Å²	113	97 Å²	97	53%	0.528	46%	0.455	S	S	.	.	H	α-helix	trans	-67.7	-46.8	172.8	-178.1	156.2	-164.4	0	0	112.3	R90 D91 C96 R97 L98	R90-E94 PolarHBondContact O-N 3.29Å; D91-E94 PolarHBondContact O-N 2.92Å; E94-C96 PolarHBondContact O-N 3.26Å; E94-R97 CarbonylContact O-C 3.54Å; E94-R97 WeakPolarHBondContact O-CA 3.12Å; E94-R97 WeakPolarHBondContact O-CB 3.27Å; E94-R97 PolarHBondContact O-N 3.18Å; E94-L98 HydrophobicContact CG-CD1 3.97Å; E94-L98 HydrophobicContact CG-CG 4.3Å; E94-L98 WeakPolarHBondContact O-CB 3.33Å; E94-L98 WeakPolarHBondContact O-CG 3.24Å; E94-L98 PolarHBondContact O-N 3.13Å
95	L	84.7	Confident	82	Confident	93 Å²	93	99.3 Å²	99.3	49%	0.487	46%	0.464	S	S	.	.	H	α-helix	trans	-57.5	-36.3	171.6	-73.5	168.8	0	0	0	111.8	D91 N99	D91-L95 WeakPolarHBondContact O-CB 3.45Å; D91-L95 VanDerWaalsContact O-CG 3.27Å; D91-L95 WeakPolarHBondContact O-CG 3.37Å; D91-L95 PolarHBondContact O-N 2.79Å; L95-N99 VanDerWaalsContact O-CB 3.29Å; L95-N99 WeakPolarHBondContact O-CB 3.49Å; L95-N99 PolarHBondContact O-N 2.8Å; L95-N99 PolarHBondContact O-ND2 2.92Å
96	C	82.8	Confident	82.4	Confident	85 Å²	85	101.4 Å²	101.4	57%	0.574	47%	0.474	S	S	*	.	H	α-helix	trans	-66.7	-41.8	173.3	-169.9	0	0	0	0	112.3	L92 E93 E94 K100	L92-C96 VanDerWaalsContact O-CB 3.31Å; L92-C96 WeakPolarHBondContact O-CB 3.35Å; L92-C96 PolarHBondContact O-N 3.21Å; E93-C96 WeakPolarHBondContact O-CB 3.42Å; E93-C96 PolarHBondContact O-N 2.93Å; E94-C96 PolarHBondContact O-N 3.26Å; C96-K100 WeakPolarHBondContact O-CB 3.33Å; C96-K100 PolarHBondContact O-N 3.36Å; C96-K100 VanDerWaalsContact O-N 3.08Å
97	R	84.9	Confident	82.7	Confident	116 Å²	116	105 Å²	105	44%	0.438	49%	0.49	S	S	.	.	H	α-helix	trans	-61.8	-47.6	172.8	-70.6	171.2	-178.9	107.2	-0.3	111.3	E93 E94 K100 V101 S176	E93-R97 VanDerWaalsContact CD-NH1 3.3Å; E93-R97 VanDerWaalsContact CG-NH1 3.33Å; E93-R97 WeakPolarHBondContact O-CG 3.32Å; E93-R97 PolarHBondContact O-N 3.29Å; E93-R97 IonicContact OE1-NH2 3.64Å; E93-R97 IonicContact OE2-CZ 2.63Å; E93-R97 IonicContact OE2-NH1 2.71Å; E93-R97 PolarHBondContact OE2-NH1 3.49Å; E93-R97 IonicContact OE2-NH2 3.62Å; E93-R97 PolarHBondContact OE2-NH2 3.03Å; E94-R97 CarbonylContact O-C 3.54Å; E94-R97 WeakPolarHBondContact O-CA 3.12Å; E94-R97 WeakPolarHBondContact O-CB 3.27Å; E94-R97 PolarHBondContact O-N 3.18Å; R97-K100 PolarHBondContact O-N 3.08Å; R97-V101 WeakPolarHBondContact O-CG2 3.45Å; R97-V101 PolarHBondContact O-N 3.46Å; R97-S176 PolarHBondContact NH2-OG 3.36Å
98	L	86.4	Confident	82.9	Confident	98 Å²	98	107.7 Å²	107.7	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-63	-48.3	-179.4	-71.4	171.1	0	0	0	111.7	E94 K100 V101 K102	E94-L98 HydrophobicContact CG-CD1 3.97Å; E94-L98 HydrophobicContact CG-CG 4.3Å; E94-L98 WeakPolarHBondContact O-CB 3.33Å; E94-L98 WeakPolarHBondContact O-CG 3.24Å; E94-L98 PolarHBondContact O-N 3.13Å; L98-K100 VanDerWaalsContact C-N 3.29Å; L98-K100 PolarHBondContact O-N 2.93Å; L98-V101 CarbonylContact O-C 3.57Å; L98-V101 PolarHBondContact O-N 2.95Å; L98-V101 VanDerWaalsContact O-N 3.11Å; L98-K102 WeakPolarHBondContact O-CB 3.43Å; L98-K102 PolarHBondContact O-N 3.35Å
99	N	82.9	Confident	83.1	Confident	101 Å²	101	108.3 Å²	108.3	54%	0.54	50%	0.497	S	S	.	.	H	α-helix	trans	-61.3	-36.8	175.9	-79.7	-46.7	0	0	0	112.4	L95 K102 R103	L95-N99 VanDerWaalsContact O-CB 3.29Å; L95-N99 WeakPolarHBondContact O-CB 3.49Å; L95-N99 PolarHBondContact O-N 2.8Å; L95-N99 PolarHBondContact O-ND2 2.92Å; N99-K102 PolarHBondContact O-N 3.23Å; N99-R103 WeakPolarHBondContact O-CB 3.39Å; N99-R103 PolarHBondContact O-N 3.18Å
100	K	83.8	Confident	83.1	Confident	149 Å²	149	109.6 Å²	109.6	65%	0.648	50%	0.503	S	S	*	.	H	α-helix	trans	-66	-38.7	173.6	-174.2	176.6	-179.4	179.1	0	112.4	C96 R97 L98 L104	C96-K100 WeakPolarHBondContact O-CB 3.33Å; C96-K100 PolarHBondContact O-N 3.36Å; C96-K100 VanDerWaalsContact O-N 3.08Å; R97-K100 PolarHBondContact O-N 3.08Å; L98-K100 VanDerWaalsContact C-N 3.29Å; L98-K100 PolarHBondContact O-N 2.93Å; K100-L104 HydrophobicContact CG-CD1 4.32Å; K100-L104 WeakPolarHBondContact O-CB 3.5Å; K100-L104 WeakPolarHBondContact O-CD1 3.48Å; K100-L104 VanDerWaalsContact O-CG 3.27Å; K100-L104 WeakPolarHBondContact O-CG 3.29Å; K100-L104 PolarHBondContact O-N 2.93Å
101	V	86.1	Confident	83.1	Confident	70 Å²	70	111.2 Å²	111.2	42%	0.424	51%	0.509	S	S	.	.	H	α-helix	trans	-69.9	-41.6	174.7	171.2	0	0	0	0	111.3	R97 L98 L104 R105	R97-V101 WeakPolarHBondContact O-CG2 3.45Å; R97-V101 PolarHBondContact O-N 3.46Å; L98-V101 CarbonylContact O-C 3.57Å; L98-V101 PolarHBondContact O-N 2.95Å; L98-V101 VanDerWaalsContact O-N 3.11Å; V101-L104 CarbonylContact O-C 3.59Å; V101-L104 PolarHBondContact O-N 2.98Å; V101-R105 WeakPolarHBondContact O-CG 3.37Å; V101-R105 PolarHBondContact O-N 3.09Å
102	K	83.1	Confident	82.6	Confident	119 Å²	119	110.5 Å²	110.5	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-57.7	-53.4	176	179.7	172	174	178.6	0	110.8	L98 N99 L104 R105 E106	L98-K102 WeakPolarHBondContact O-CB 3.43Å; L98-K102 PolarHBondContact O-N 3.35Å; N99-K102 PolarHBondContact O-N 3.23Å; K102-L104 VanDerWaalsContact C-N 3.29Å; K102-L104 PolarHBondContact O-N 2.9Å; K102-R105 WeakPolarHBondContact O-CA 3.44Å; K102-R105 WeakPolarHBondContact O-CB 3.47Å; K102-R105 PolarHBondContact O-N 3.25Å; K102-E106 WeakPolarHBondContact CE-OE1 3.37Å; K102-E106 VanDerWaalsContact CG-OE1 3.26Å; K102-E106 WeakPolarHBondContact CG-OE1 3.47Å; K102-E106 WeakPolarHBondContact O-CG 3.44Å; K102-E106 PolarHBondContact O-N 3.25Å
103	R	83	Confident	82.5	Confident	184 Å²	184	109.8 Å²	109.8	69%	0.694	50%	0.503	S	S	*	.	H	α-helix	trans	-57.7	-37.6	175.8	-168.2	175.5	-176.2	166.4	6	113.3	N99 R105 E106 E107	N99-R103 WeakPolarHBondContact O-CB 3.39Å; N99-R103 PolarHBondContact O-N 3.18Å; R103-R105 VanDerWaalsContact C-N 3.34Å; R103-E106 WeakPolarHBondContact CA-OE2 3.37Å; R103-E107 VanDerWaalsContact O-CB 3.3Å; R103-E107 WeakPolarHBondContact O-CB 3.43Å; R103-E107 PolarHBondContact O-N 3.25Å
104	L	83	Confident	82.3	Confident	80 Å²	80	112.5 Å²	112.5	42%	0.419	52%	0.516	S	S	.	.	H	α-helix	trans	-76	-15.9	176	-74.6	171.3	0	0	0	114.2	K100 V101 K102 R108	K100-L104 HydrophobicContact CG-CD1 4.32Å; K100-L104 WeakPolarHBondContact O-CB 3.5Å; K100-L104 WeakPolarHBondContact O-CD1 3.48Å; K100-L104 VanDerWaalsContact O-CG 3.27Å; K100-L104 WeakPolarHBondContact O-CG 3.29Å; K100-L104 PolarHBondContact O-N 2.93Å; V101-L104 CarbonylContact O-C 3.59Å; V101-L104 PolarHBondContact O-N 2.98Å; K102-L104 VanDerWaalsContact C-N 3.29Å; K102-L104 PolarHBondContact O-N 2.9Å; L104-R108 WeakPolarHBondContact O-CD 3.23Å; L104-R108 VanDerWaalsContact O-CG 3.24Å; L104-R108 WeakPolarHBondContact O-CG 3.5Å
105	R	84.7	Confident	82.1	Confident	181 Å²	181	109.3 Å²	109.3	68%	0.683	51%	0.509	S	S	*	.	H	α-helix	trans	-83.5	-46.7	168.5	-72.5	175.2	178.7	-174.8	-0.1	110	V101 K102 R103 E107 R108 Q109	V101-R105 WeakPolarHBondContact O-CG 3.37Å; V101-R105 PolarHBondContact O-N 3.09Å; K102-R105 WeakPolarHBondContact O-CA 3.44Å; K102-R105 WeakPolarHBondContact O-CB 3.47Å; K102-R105 PolarHBondContact O-N 3.25Å; R103-R105 VanDerWaalsContact C-N 3.34Å; R105-E107 PolarHBondContact O-N 2.88Å; R105-R108 WeakPolarHBondContact O-CB 3.49Å; R105-R108 PolarHBondContact O-N 3Å; R105-R108 VanDerWaalsContact O-N 3.09Å; R105-Q109 WeakPolarHBondContact O-CB 3.38Å; R105-Q109 PolarHBondContact O-N 3.48Å
106	E	83.3	Confident	81.8	Confident	86 Å²	86	109.5 Å²	109.5	40%	0.402	51%	0.509	S	S	.	.	H	α-helix	trans	-57.6	-47.8	176.1	-69	160.3	166.5	0	0	111.6	K102 R103 R108 Q109 Q110	K102-E106 WeakPolarHBondContact CE-OE1 3.37Å; K102-E106 VanDerWaalsContact CG-OE1 3.26Å; K102-E106 WeakPolarHBondContact CG-OE1 3.47Å; K102-E106 WeakPolarHBondContact O-CG 3.44Å; K102-E106 PolarHBondContact O-N 3.25Å; R103-E106 WeakPolarHBondContact CA-OE2 3.37Å; E106-R108 PolarHBondContact O-N 3.31Å; E106-Q109 PolarHBondContact O-N 3.33Å; E106-Q109 VanDerWaalsContact O-N 3.13Å; E106-Q110 WeakPolarHBondContact O-CB 3.45Å; E106-Q110 WeakPolarHBondContact O-CG 3.44Å; E106-Q110 PolarHBondContact O-N 3.15Å
107	E	81.6	Confident	81.4	Confident	78 Å²	78	110.4 Å²	110.4	36%	0.364	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-26.3	176.8	-169.8	-174.5	-169.1	0	0	112.9	R103 R105 R111	R103-E107 VanDerWaalsContact O-CB 3.3Å; R103-E107 WeakPolarHBondContact O-CB 3.43Å; R103-E107 PolarHBondContact O-N 3.25Å; R105-E107 PolarHBondContact O-N 2.88Å; E107-R111 VanDerWaalsContact CD-NH2 3.29Å; E107-R111 WeakPolarHBondContact O-CD 3.34Å; E107-R111 WeakPolarHBondContact O-CG 3.31Å; E107-R111 PolarHBondContact O-N 3.14Å; E107-R111 IonicContact OE1-CZ 3.28Å; E107-R111 IonicContact OE1-NE 2.71Å; E107-R111 IonicContact OE1-NH2 3.94Å; E107-R111 PolarHBondContact OE1-NH2 2.87Å; E107-R111 IonicContact OE2-NH2 2.67Å
108	R	81.7	Confident	80.8	Confident	187 Å²	187	109.1 Å²	109.1	71%	0.706	52%	0.516	S	S	*	.	H	α-helix	trans	-77.1	-42.7	172	-73.2	173.9	-171.5	-163.2	4.1	111.4	L104 R105 E106 R111 S112	L104-R108 WeakPolarHBondContact O-CD 3.23Å; L104-R108 VanDerWaalsContact O-CG 3.24Å; L104-R108 WeakPolarHBondContact O-CG 3.5Å; R105-R108 WeakPolarHBondContact O-CB 3.49Å; R105-R108 PolarHBondContact O-N 3Å; R105-R108 VanDerWaalsContact O-N 3.09Å; E106-R108 PolarHBondContact O-N 3.31Å; R108-R111 PolarHBondContact O-N 3.13Å; R108-S112 PolarHBondContact O-N 2.73Å; R108-S112 PolarHBondContact O-OG 2.75Å; R108-S112 VanDerWaalsContact O-OG 3.14Å
109	Q	81.6	Confident	79.9	Confident	104 Å²	104	112.6 Å²	112.6	49%	0.486	53%	0.527	S	S	.	.	H	α-helix	trans	-61.5	-49.4	-179.9	-175.4	61.4	24.8	0	0	110.6	R105 E106 R111 S112 E113	R105-Q109 WeakPolarHBondContact O-CB 3.38Å; R105-Q109 PolarHBondContact O-N 3.48Å; E106-Q109 PolarHBondContact O-N 3.33Å; E106-Q109 VanDerWaalsContact O-N 3.13Å; Q109-R111 PolarHBondContact O-N 2.76Å; Q109-S112 WeakPolarHBondContact CA-OG 3.47Å; Q109-S112 PolarHBondContact O-N 2.93Å; Q109-S112 PolarHBondContact O-OG 3.02Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.3Å; Q109-E113 PolarHBondContact NE2-OE1 2.93Å; Q109-E113 WeakPolarHBondContact O-CG 3.43Å; Q109-E113 PolarHBondContact O-N 2.7Å
110	Q	80.5	Confident	79	Confident	115 Å²	115	113.8 Å²	113.8	54%	0.537	53%	0.533	S	S	.	.	H	α-helix	trans	-54.6	-47.9	174	-73.5	174.6	-14.6	0	0	111.7	E106 S112 E113 E114	E106-Q110 WeakPolarHBondContact O-CB 3.45Å; E106-Q110 WeakPolarHBondContact O-CG 3.44Å; E106-Q110 PolarHBondContact O-N 3.15Å; Q110-S112 VanDerWaalsContact C-N 3.31Å; Q110-S112 PolarHBondContact O-N 2.84Å; Q110-E113 PolarHBondContact O-N 2.71Å; Q110-E113 VanDerWaalsContact O-N 3.13Å; Q110-E114 WeakPolarHBondContact O-CB 3.29Å; Q110-E114 WeakPolarHBondContact O-CG 3.42Å; Q110-E114 PolarHBondContact O-N 2.88Å
111	R	79.5	Confident	77.6	Confident	143 Å²	143	111.5 Å²	111.5	54%	0.54	53%	0.527	S	S	.	.	H	α-helix	trans	-64.6	-30.5	177.5	-69.9	173	-167.5	-167.6	7.9	113.5	E107 R108 Q109 A115	E107-R111 VanDerWaalsContact CD-NH2 3.29Å; E107-R111 WeakPolarHBondContact O-CD 3.34Å; E107-R111 WeakPolarHBondContact O-CG 3.31Å; E107-R111 PolarHBondContact O-N 3.14Å; E107-R111 IonicContact OE1-CZ 3.28Å; E107-R111 IonicContact OE1-NE 2.71Å; E107-R111 IonicContact OE1-NH2 3.94Å; E107-R111 PolarHBondContact OE1-NH2 2.87Å; E107-R111 IonicContact OE2-NH2 2.67Å; R108-R111 PolarHBondContact O-N 3.13Å; Q109-R111 PolarHBondContact O-N 2.76Å; R111-A115 WeakPolarHBondContact O-CB 3.48Å; R111-A115 PolarHBondContact O-N 2.63Å; R111-A115 VanDerWaalsContact O-N 3.11Å
112	S	77.2	Confident	76.1	Confident	48 Å²	48	115.4 Å²	115.4	34%	0.336	54%	0.544	S	S	.	.	H	α-helix	trans	-73.9	-36.5	171.5	41.1	0	0	0	0	112.5	R108 Q109 Q110 A115 I116	R108-S112 PolarHBondContact O-N 2.73Å; R108-S112 PolarHBondContact O-OG 2.75Å; R108-S112 VanDerWaalsContact O-OG 3.14Å; Q109-S112 WeakPolarHBondContact CA-OG 3.47Å; Q109-S112 PolarHBondContact O-N 2.93Å; Q109-S112 PolarHBondContact O-OG 3.02Å; Q110-S112 VanDerWaalsContact C-N 3.31Å; Q110-S112 PolarHBondContact O-N 2.84Å; S112-A115 CarbonylContact O-C 3.48Å; S112-A115 PolarHBondContact O-N 2.9Å; S112-I116 WeakPolarHBondContact O-CB 3.42Å; S112-I116 WeakPolarHBondContact O-CD1 3.39Å; S112-I116 VanDerWaalsContact O-CG1 3.23Å; S112-I116 WeakPolarHBondContact O-CG1 3.5Å; S112-I116 PolarHBondContact O-N 3.15Å
113	E	78.8	Confident	74.3	Confident	90 Å²	90	118.3 Å²	118.3	42%	0.421	56%	0.556	S	S	.	*	H	α-helix	trans	-68.5	-45	176	-72.3	164.1	176.9	0	0	111.2	Q109 Q110 A115 I116 L117	Q109-E113 WeakPolarHBondContact CG-OE1 3.3Å; Q109-E113 PolarHBondContact NE2-OE1 2.93Å; Q109-E113 WeakPolarHBondContact O-CG 3.43Å; Q109-E113 PolarHBondContact O-N 2.7Å; Q110-E113 PolarHBondContact O-N 2.71Å; Q110-E113 VanDerWaalsContact O-N 3.13Å; E113-A115 VanDerWaalsContact C-N 3.28Å; E113-A115 PolarHBondContact O-N 2.71Å; E113-I116 PolarHBondContact O-N 2.72Å; E113-I116 VanDerWaalsContact O-N 3.13Å; E113-L117 WeakPolarHBondContact O-CB 3.49Å; E113-L117 WeakPolarHBondContact O-CG 3.36Å; E113-L117 PolarHBondContact O-N 3.23Å
114	E	76.2	Confident	72.2	Confident	122 Å²	122	113.5 Å²	113.5	57%	0.57	55%	0.551	S	S	*	*	H	α-helix	trans	-56.1	-40.8	168.9	-73.8	179.8	151.9	0	0	112	Q110 S118	Q110-E114 WeakPolarHBondContact O-CB 3.29Å; Q110-E114 WeakPolarHBondContact O-CG 3.42Å; Q110-E114 PolarHBondContact O-N 2.88Å; E114-S118 WeakPolarHBondContact O-CB 3.39Å; E114-S118 PolarHBondContact O-N 3.05Å; E114-S118 PolarHBondContact O-OG 3.07Å
115	A	78.6	Confident	70	Confident	47 Å²	47	115.5 Å²	115.5	39%	0.388	57%	0.569	S	S	.	*	H	α-helix	trans	-74	-24.8	177.8	0	0	0	0	0	113.6	R111 S112 E113 K119	R111-A115 WeakPolarHBondContact O-CB 3.48Å; R111-A115 PolarHBondContact O-N 2.63Å; R111-A115 VanDerWaalsContact O-N 3.11Å; S112-A115 CarbonylContact O-C 3.48Å; S112-A115 PolarHBondContact O-N 2.9Å; E113-A115 VanDerWaalsContact C-N 3.28Å; E113-A115 PolarHBondContact O-N 2.71Å; A115-K119 WeakPolarHBondContact O-CD 2.88Å; A115-K119 VanDerWaalsContact O-CG 3.3Å; A115-K119 WeakPolarHBondContact O-CG 3.41Å
116	I	78.7	Confident	67.8	Low	97 Å²	97	118.3 Å²	118.3	50%	0.497	58%	0.579	S	S	.	*	H	α-helix	trans	-76.8	-50.3	171.2	-72.3	161.8	0	0	0	109.4	S112 E113 S118 K119 L120	S112-I116 WeakPolarHBondContact O-CB 3.42Å; S112-I116 WeakPolarHBondContact O-CD1 3.39Å; S112-I116 VanDerWaalsContact O-CG1 3.23Å; S112-I116 WeakPolarHBondContact O-CG1 3.5Å; S112-I116 PolarHBondContact O-N 3.15Å; E113-I116 PolarHBondContact O-N 2.72Å; E113-I116 VanDerWaalsContact O-N 3.13Å; I116-S118 VanDerWaalsContact C-N 3.31Å; I116-S118 PolarHBondContact O-N 2.95Å; I116-K119 CarbonylContact O-C 3.46Å; I116-K119 WeakPolarHBondContact O-CA 3.41Å; I116-K119 WeakPolarHBondContact O-CB 3.42Å; I116-K119 PolarHBondContact O-N 3.25Å; I116-L120 HydrophobicContact CG2-CD1 3.72Å; I116-L120 HydrophobicContact CG2-CG 4.25Å; I116-L120 WeakPolarHBondContact O-CG 3.26Å; I116-L120 PolarHBondContact O-N 3.04Å
117	L	74.6	Confident	65.6	Low	104 Å²	104	119 Å²	119	55%	0.545	59%	0.594	S	S	.	*	H	α-helix	trans	-54.9	-45.5	174.1	-73.4	165.2	0	0	0	111.3	E113 K119 L120 I121	E113-L117 WeakPolarHBondContact O-CB 3.49Å; E113-L117 WeakPolarHBondContact O-CG 3.36Å; E113-L117 PolarHBondContact O-N 3.23Å; L117-K119 PolarHBondContact O-N 3.09Å; L117-K119 VanDerWaalsContact O-N 3.15Å; L117-L120 PolarHBondContact O-N 3.16Å; L117-L120 VanDerWaalsContact O-N 3.14Å; L117-I121 VanDerWaalsContact O-CG1 3.25Å; L117-I121 WeakPolarHBondContact O-CG1 3.14Å; L117-I121 PolarHBondContact O-N 3.23Å
118	S	72.4	Confident	63.5	Low	88 Å²	88	123.9 Å²	123.9	62%	0.615	62%	0.621	S	S	*	*	H	α-helix	trans	-63.3	-19	176.7	-62.3	0	0	0	0	114.4	E114 I116	E114-S118 WeakPolarHBondContact O-CB 3.39Å; E114-S118 PolarHBondContact O-N 3.05Å; E114-S118 PolarHBondContact O-OG 3.07Å; I116-S118 VanDerWaalsContact C-N 3.31Å; I116-S118 PolarHBondContact O-N 2.95Å
119	K	67.5	Low	61.5	Low	171 Å²	171	124 Å²	124	74%	0.743	63%	0.63	S	S	*	*	H	α-helix	trans	-94	-31.2	173.1	-72.9	173.3	-179.9	-179.1	0	112.9	A115 I116 L117	A115-K119 WeakPolarHBondContact O-CD 2.88Å; A115-K119 VanDerWaalsContact O-CG 3.3Å; A115-K119 WeakPolarHBondContact O-CG 3.41Å; I116-K119 CarbonylContact O-C 3.46Å; I116-K119 WeakPolarHBondContact O-CA 3.41Å; I116-K119 WeakPolarHBondContact O-CB 3.42Å; I116-K119 PolarHBondContact O-N 3.25Å; L117-K119 PolarHBondContact O-N 3.09Å; L117-K119 VanDerWaalsContact O-N 3.15Å
120	L	63.8	Low	59.5	Low	126 Å²	126	128.1 Å²	128.1	66%	0.66	65%	0.646	S	S	*	*	H	α-helix	trans	-75.5	-26.8	175.8	-68	174.3	0	0	0	112.3	I116 L117 I122	I116-L120 HydrophobicContact CG2-CD1 3.72Å; I116-L120 HydrophobicContact CG2-CG 4.25Å; I116-L120 WeakPolarHBondContact O-CG 3.26Å; I116-L120 PolarHBondContact O-N 3.04Å; L117-L120 PolarHBondContact O-N 3.16Å; L117-L120 VanDerWaalsContact O-N 3.14Å; L120-I122 PolarHBondContact O-N 3.34Å
121	I	53.9	Low	57.5	Low	102 Å²	102	131.2 Å²	131.2	52%	0.523	67%	0.666	S	S	.	*	S	Bend	trans	-72.4	83	167.8	-60	162.2	0	0	0	108.4	L117 K123	L117-I121 VanDerWaalsContact O-CG1 3.25Å; L117-I121 WeakPolarHBondContact O-CG1 3.14Å; L117-I121 PolarHBondContact O-N 3.23Å; I121-K123 VanDerWaalsContact C-N 3.32Å; I121-K123 HydrophobicContact CG2-CG 3.87Å; I121-K123 PolarHBondContact O-N 2.59Å
122	I	53.6	Low	55.4	Low	151 Å²	151	132.9 Å²	132.9	77%	0.774	68%	0.679	S	S	*	*			trans	-65.8	92.5	170.3	-59.3	175.3	0	0	0	107.9	L120 S124	L120-I122 PolarHBondContact O-N 3.34Å; I122-S124 PolarHBondContact O-N 3.03Å
123	K	45.9	Very low	53.3	Low	180 Å²	180	138.3 Å²	138.3	78%	0.783	70%	0.703	S	S	*	*			trans	-71.8	77.4	174.2	-65.9	-168.5	178.6	-176.7	0	110.2	I121 P125	I121-K123 VanDerWaalsContact C-N 3.32Å; I121-K123 HydrophobicContact CG2-CG 3.87Å; I121-K123 PolarHBondContact O-N 2.59Å; K123-P125 VanDerWaalsContact O-CD 3.32Å; K123-P125 WeakPolarHBondContact O-CD 3.47Å
124	S	38.4	Very low	51.3	Low	83 Å²	83	142 Å²	142	58%	0.58	73%	0.725	S	S	*	*			trans	-55.7	115.1	170.2	-176.1	0	0	0	0	109.3	I122 R126	I122-S124 PolarHBondContact O-N 3.03Å; S124-R126 PolarHBondContact O-N 2.97Å
125	P	38.1	Very low	49.4	Very low	122 Å²	122	145.3 Å²	145.3	79%	0.792	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	62.6	-167.5	34	-36.2	0	0	0	111.4	K123	K123-P125 VanDerWaalsContact O-CD 3.32Å; K123-P125 WeakPolarHBondContact O-CD 3.47Å
126	R	38.1	Very low	47.5	Very low	240 Å²	240	149.1 Å²	149.1	91%	0.906	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.9	11.9	-175.7	-116.1	159.9	-154.7	-159.3	2.3	119.4	S124	S124-R126 PolarHBondContact O-N 2.97Å
127	S	36.6	Very low	45.4	Very low	100 Å²	100	152.5 Å²	152.5	70%	0.699	77%	0.772	S	S	*	*			trans	-145	31	-175.5	67.9	0	0	0	0	116	E129	S127-E129 VanDerWaalsContact C-N 3.26Å; S127-E129 PolarHBondContact O-N 3.08Å; S127-E129 VanDerWaalsContact O-N 3.16Å
128	L	38.5	Very low	43.7	Very low	181 Å²	181	155.3 Å²	155.3	95%	0.948	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	46.2	-173.8	-142.2	170.8	0	0	0	112.6
129	E	39.6	Very low	42	Very low	191 Å²	191	155.9 Å²	155.9	89%	0.893	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.2	18.5	-171	-155	170.3	-132.6	0	0	112.9	S127	S127-E129 VanDerWaalsContact C-N 3.26Å; S127-E129 PolarHBondContact O-N 3.08Å; S127-E129 VanDerWaalsContact O-N 3.16Å
130	K	39.8	Very low	40.8	Very low	189 Å²	189	155.5 Å²	155.5	82%	0.822	80%	0.796	S	S	*	*	S	Bend	trans	-152.7	33.2	-175.4	-145.7	176.9	-177.6	177.4	0	116.6
131	L	37.9	Very low	39.5	Very low	180 Å²	180	158.9 Å²	158.9	94%	0.942	81%	0.805	S	S	*	*			trans	-134.5	36.6	168.6	-77.3	176.7	0	0	0	112.3
132	E	34.2	Very low	38.8	Very low	178 Å²	178	162.8 Å²	162.8	83%	0.832	82%	0.823	S	S	*	*			trans	-73.6	168.8	138.2	-64	-177.4	148.9	0	0	108.3
133	I	35.1	Very low	38.1	Very low	163 Å²	163	162.2 Å²	162.2	84%	0.836	82%	0.822	S	S	*	*			trans	74.7	76.5	-169	-43.5	163.3	0	0	0	113
134	L	35	Very low	37.7	Very low	166 Å²	166	158.6 Å²	158.6	87%	0.869	81%	0.811	S	S	*	*			trans	-171.2	35.2	133.4	-103.3	168.3	0	0	0	113.7
135	E	36.7	Very low	38.1	Very low	192 Å²	192	162.8 Å²	162.8	90%	0.897	82%	0.822	S	S	*	*			trans	-107.5	107.3	164.5	-73.4	-167.9	149.1	0	0	109.5
136	T	38.9	Very low	38.3	Very low	127 Å²	127	163.2 Å²	163.2	78%	0.779	82%	0.817	S	S	*	*			trans	-92.9	106.7	172.7	49.8	0	0	0	0	110.4
137	H	35.5	Very low	38.5	Very low	169 Å²	169	158.5 Å²	158.5	78%	0.782	80%	0.803	S	S	*	*			trans	29.7	117.4	151.7	-68.8	-97	0	0	0	118.9
138	D	37.9	Very low	39	Very low	163 Å²	163	160.6 Å²	160.6	87%	0.872	80%	0.802	S	S	*	*				-152.6	133.1	102.9	-130.3	-15	0	0	0	111.6
139	P	37.7	Very low	39.4	Very low	100 Å²	100	159.4 Å²	159.4	65%	0.649	79%	0.791	S	S	*	*			trans	-109	128.5	-177.4	36.1	-26.1	0	0	0	113.2
140	D	40.9	Very low	39.7	Very low	163 Å²	163	155.5 Å²	155.5	87%	0.872	78%	0.777	S	S	*	*			trans	-150.8	121.1	137.3	-133.8	-24.1	0	0	0	113.3
141	K	37.4	Very low	40.3	Very low	196 Å²	196	150.8 Å²	150.8	85%	0.852	76%	0.759	S	S	*	*			trans	-133.2	111.5	178.5	-90.4	-179.7	180	164.6	0	108.7
142	M	39.9	Very low	40.8	Very low	184 Å²	184	147.2 Å²	147.2	91%	0.906	74%	0.741	S	S	*	*			trans	-145.7	152.8	152.6	-101.8	-53.6	177.8	0	0	113.8
143	N	38.2	Very low	41.7	Very low	139 Å²	139	145.9 Å²	145.9	74%	0.743	73%	0.733	S	S	*	*			trans	56.2	88.1	165.8	-161.7	-0.3	0	0	0	117.8
144	N	37.4	Very low	42.4	Very low	105 Å²	105	145.4 Å²	145.4	56%	0.561	73%	0.725	S	S	*	*			trans	-140.7	20.5	174	-148.7	4.4	0	0	0	115.6	K147	N144-K147 WeakPolarHBondContact OD1-CB 3.4Å; N144-K147 WeakPolarHBondContact OD1-CD 3.38Å
145	Q	45.8	Very low	43.1	Very low	171 Å²	171	141.2 Å²	141.2	80%	0.799	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-30	-179.1	-72.1	-176.5	-11.3	0	0	113.5	K147	Q145-K147 PolarHBondContact O-N 2.79Å
146	N	42.9	Very low	44	Very low	131 Å²	131	138.8 Å²	138.8	70%	0.701	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-3.7	-178.1	-81.8	-24.1	0	0	0	115.8
147	K	43.3	Very low	44.7	Very low	141 Å²	141	137.5 Å²	137.5	61%	0.613	68%	0.679	S	S	*	*	H	α-helix	trans	-85	-31.2	178.8	-100	163.2	171.9	170.1	0	113.7	N144 Q145 Q149 N150 I151	N144-K147 WeakPolarHBondContact OD1-CB 3.4Å; N144-K147 WeakPolarHBondContact OD1-CD 3.38Å; Q145-K147 PolarHBondContact O-N 2.79Å; K147-Q149 PolarHBondContact O-N 2.95Å; K147-N150 PolarHBondContact O-N 3.02Å; K147-I151 WeakPolarHBondContact O-CG1 3.46Å; K147-I151 PolarHBondContact O-N 3.35Å
148	Q	46.7	Very low	45.2	Very low	144 Å²	144	136.9 Å²	136.9	67%	0.673	67%	0.674	S	S	*	*	H	α-helix	trans	-69.2	-34.2	-173.4	-72.1	179.8	-14.5	0	0	113.6	I151 N152	Q148-I151 PolarHBondContact O-N 3.45Å; Q148-N152 PolarHBondContact O-N 3.4Å
149	Q	46.1	Very low	45.7	Very low	155 Å²	155	138.5 Å²	138.5	72%	0.724	67%	0.668	S	S	*	*	H	α-helix	trans	-67.7	-36.6	175.9	-63.3	-168.4	6.5	0	0	112.7	K147 N152 K153	K147-Q149 PolarHBondContact O-N 2.95Å; Q149-N152 PolarHBondContact O-N 3.3Å; Q149-K153 PolarHBondContact O-N 2.76Å
150	N	47.1	Very low	46.3	Very low	110 Å²	110	141.4 Å²	141.4	59%	0.588	67%	0.671	S	S	*	*	H	α-helix	trans	-72.8	-31.3	178.3	-91.9	-44.7	0	0	0	113.3	K147 N152 K153 K154	K147-N150 PolarHBondContact O-N 3.02Å; N150-N152 VanDerWaalsContact C-N 3.31Å; N150-N152 PolarHBondContact O-N 2.9Å; N150-K153 PolarHBondContact O-N 2.91Å; N150-K154 PolarHBondContact O-N 3.11Å
151	I	51	Low	46.2	Very low	89 Å²	89	141.9 Å²	141.9	46%	0.456	66%	0.661	S	S	.	*	H	α-helix	trans	-60.7	-41.9	172.9	-70.2	165.5	0	0	0	110.5	K147 Q148 K154 N155	K147-I151 WeakPolarHBondContact O-CG1 3.46Å; K147-I151 PolarHBondContact O-N 3.35Å; Q148-I151 PolarHBondContact O-N 3.45Å; I151-K154 PolarHBondContact O-N 2.84Å; I151-N155 WeakPolarHBondContact O-CB 3.19Å; I151-N155 VanDerWaalsContact O-CG 3.28Å; I151-N155 PolarHBondContact O-N 3.4Å; I151-N155 PolarHBondContact O-ND2 2.79Å
152	N	48.5	Very low	46.4	Very low	105 Å²	105	135.7 Å²	135.7	56%	0.561	64%	0.642	S	S	*	*	H	α-helix	trans	-66.9	-38.3	-180	-73.7	-21.1	0	0	0	113.3	Q148 Q149 N150 N155 Q156	Q148-N152 PolarHBondContact O-N 3.4Å; Q149-N152 PolarHBondContact O-N 3.3Å; N150-N152 VanDerWaalsContact C-N 3.31Å; N150-N152 PolarHBondContact O-N 2.9Å; N152-N155 PolarHBondContact O-N 2.93Å; N152-Q156 PolarHBondContact O-N 3.11Å; N152-Q156 VanDerWaalsContact O-N 3.13Å
153	K	53	Low	46.8	Very low	150 Å²	150	133.7 Å²	133.7	65%	0.652	63%	0.631	S	S	*	*	H	α-helix	trans	-64.6	-45.6	171.2	-82.8	-177	174.4	177	0	112.2	Q149 N150 N155 Q156 I157	Q149-K153 PolarHBondContact O-N 2.76Å; N150-K153 PolarHBondContact O-N 2.91Å; K153-N155 VanDerWaalsContact C-N 3.28Å; K153-N155 PolarHBondContact O-N 3.34Å; K153-Q156 PolarHBondContact O-N 2.81Å; K153-I157 WeakPolarHBondContact O-CG1 3.47Å; K153-I157 PolarHBondContact O-N 2.87Å
154	K	51.7	Low	47.1	Very low	154 Å²	154	134.7 Å²	134.7	67%	0.67	63%	0.629	S	S	*	*	H	α-helix	trans	-60.2	-36	175.3	-96.5	-178	173.9	176.6	0	112.6	N150 I151 I157 K158	N150-K154 PolarHBondContact O-N 3.11Å; I151-K154 PolarHBondContact O-N 2.84Å; K154-I157 PolarHBondContact O-N 2.87Å; K154-K158 PolarHBondContact O-N 2.86Å
155	N	49.6	Very low	47.2	Very low	77 Å²	77	134.3 Å²	134.3	41%	0.412	63%	0.627	S	S	.	*	H	α-helix	trans	-72.4	-33.9	179	-74.3	-17.2	0	0	0	113.7	I151 N152 K153 R159	I151-N155 WeakPolarHBondContact O-CB 3.19Å; I151-N155 VanDerWaalsContact O-CG 3.28Å; I151-N155 PolarHBondContact O-N 3.4Å; I151-N155 PolarHBondContact O-ND2 2.79Å; N152-N155 PolarHBondContact O-N 2.93Å; K153-N155 VanDerWaalsContact C-N 3.28Å; K153-N155 PolarHBondContact O-N 3.34Å; N155-R159 WeakPolarHBondContact O-CG 3.05Å; N155-R159 PolarHBondContact O-N 2.93Å; N155-R159 VanDerWaalsContact O-N 3.12Å
156	Q	54.2	Low	47.1	Very low	142 Å²	142	133.2 Å²	133.2	66%	0.664	62%	0.619	S	S	*	*	H	α-helix	trans	-65.7	-40.6	171	-71.2	-168.5	11.7	0	0	112.1	N152 K153 R159 K160	N152-Q156 PolarHBondContact O-N 3.11Å; N152-Q156 VanDerWaalsContact O-N 3.13Å; K153-Q156 PolarHBondContact O-N 2.81Å; Q156-R159 PolarHBondContact O-N 2.88Å; Q156-K160 PolarHBondContact O-N 2.99Å
157	I	54.4	Low	47	Very low	100 Å²	100	134.4 Å²	134.4	51%	0.513	62%	0.621	S	S	.	*	H	α-helix	trans	-64.4	-47.8	177	-64.2	168.3	0	0	0	110.4	K153 K154 R159 K160 Y161	K153-I157 WeakPolarHBondContact O-CG1 3.47Å; K153-I157 PolarHBondContact O-N 2.87Å; K154-I157 PolarHBondContact O-N 2.87Å; I157-R159 VanDerWaalsContact C-N 3.26Å; I157-R159 PolarHBondContact O-N 2.64Å; I157-K160 PolarHBondContact O-N 2.9Å; I157-K160 VanDerWaalsContact O-N 3.12Å; I157-Y161 HydrophobicContact CG2-CD2 3.86Å; I157-Y161 HydrophobicContact CG2-CE2 3.9Å; I157-Y161 WeakPolarHBondContact O-CD2 3.49Å; I157-Y161 PolarHBondContact O-N 2.91Å; I157-Y161 VanDerWaalsContact O-N 3.11Å
158	K	46.3	Very low	46.8	Very low	156 Å²	156	131.5 Å²	131.5	68%	0.678	62%	0.615	S	S	*	*	H	α-helix	trans	-56.1	-37.3	175	-80	-171.2	172.2	-172.1	0	112.8	K154 S162	K154-K158 PolarHBondContact O-N 2.86Å; K158-S162 VanDerWaalsContact O-CB 3.31Å; K158-S162 WeakPolarHBondContact O-CB 3.19Å; K158-S162 PolarHBondContact O-N 2.98Å
159	R	48.4	Very low	46.4	Very low	196 Å²	196	129.5 Å²	129.5	74%	0.74	61%	0.608	S	S	*	*	H	α-helix	trans	-64.9	-42.6	175.7	-76.1	178.2	177.5	-176.3	-0.3	112.8	N155 Q156 I157 S162 Q163	N155-R159 WeakPolarHBondContact O-CG 3.05Å; N155-R159 PolarHBondContact O-N 2.93Å; N155-R159 VanDerWaalsContact O-N 3.12Å; Q156-R159 PolarHBondContact O-N 2.88Å; I157-R159 VanDerWaalsContact C-N 3.26Å; I157-R159 PolarHBondContact O-N 2.64Å; R159-S162 PolarHBondContact O-N 2.86Å; R159-Q163 PolarHBondContact O-N 2.76Å
160	K	49.4	Very low	46	Very low	162 Å²	162	128.5 Å²	128.5	70%	0.704	61%	0.605	S	S	*	*	H	α-helix	trans	-65.2	-40.4	176.6	-72.7	-169.7	175.9	-175.4	0	112.9	Q156 I157	Q156-K160 PolarHBondContact O-N 2.99Å; I157-K160 PolarHBondContact O-N 2.9Å; I157-K160 VanDerWaalsContact O-N 3.12Å
161	Y	38.7	Very low	45.5	Very low	173 Å²	173	127.6 Å²	127.6	68%	0.678	61%	0.607	S	S	*	*	H	α-helix	trans	-70.6	-35.3	175.8	-82.4	-90.4	0	0	0	113	I157 Q163 K164 N165	I157-Y161 HydrophobicContact CG2-CD2 3.86Å; I157-Y161 HydrophobicContact CG2-CE2 3.9Å; I157-Y161 WeakPolarHBondContact O-CD2 3.49Å; I157-Y161 PolarHBondContact O-N 2.91Å; I157-Y161 VanDerWaalsContact O-N 3.11Å; Y161-Q163 VanDerWaalsContact C-N 3.34Å; Y161-Q163 PolarHBondContact O-N 3.3Å; Y161-K164 PolarHBondContact O-N 3.03Å; Y161-N165 PolarHBondContact O-N 3.48Å
162	S	42.9	Very low	45	Very low	65 Å²	65	128.5 Å²	128.5	46%	0.455	61%	0.612	S	S	.	*	H	α-helix	trans	-62.7	-37.1	177.4	-175.4	0	0	0	0	113	K158 R159 K166	K158-S162 VanDerWaalsContact O-CB 3.31Å; K158-S162 WeakPolarHBondContact O-CB 3.19Å; K158-S162 PolarHBondContact O-N 2.98Å; R159-S162 PolarHBondContact O-N 2.86Å; S162-K166 PolarHBondContact O-N 2.81Å
163	Q	47.3	Very low	44.5	Very low	143 Å²	143	129.6 Å²	129.6	67%	0.668	62%	0.617	S	S	*	*	H	α-helix	trans	-66	-40.2	176.7	-74.4	176.2	-38.6	0	0	112.5	R159 Y161 K166	R159-Q163 PolarHBondContact O-N 2.76Å; Y161-Q163 VanDerWaalsContact C-N 3.34Å; Y161-Q163 PolarHBondContact O-N 3.3Å; Q163-K166 PolarHBondContact O-N 2.93Å
164	K	43.7	Very low	43.7	Very low	160 Å²	160	126.7 Å²	126.7	70%	0.696	61%	0.614	S	S	*	*	H	α-helix	trans	-65	-42.2	177.1	-118.2	179	-179.8	-179.6	0	112.3	Y161 K166 Q167 T168	Y161-K164 PolarHBondContact O-N 3.03Å; K164-K166 PolarHBondContact O-N 2.78Å; K164-Q167 PolarHBondContact O-N 3.03Å; K164-T168 PolarHBondContact O-OG1 2.97Å
165	N	41.2	Very low	42.8	Very low	97 Å²	97	127.3 Å²	127.3	52%	0.519	61%	0.613	S	S	.	*	H	α-helix	trans	-72.9	-23.7	179.3	-105.9	6.3	0	0	0	114.3	Y161 Q167 T168 I169	Y161-N165 PolarHBondContact O-N 3.48Å; N165-Q167 VanDerWaalsContact C-N 3.29Å; N165-Q167 PolarHBondContact O-N 3.22Å; N165-T168 PolarHBondContact O-N 3.23Å; N165-I169 WeakPolarHBondContact O-CG1 3.47Å; N165-I169 PolarHBondContact O-N 3.04Å; N165-I169 VanDerWaalsContact O-N 3.13Å
166	K	43.1	Very low	41.9	Very low	148 Å²	148	126.5 Å²	126.5	64%	0.643	61%	0.613	S	S	*	*	H	α-helix	trans	-65.9	-29.3	174.7	-86.2	-172.2	171.8	-174.9	0	113.3	S162 Q163 K164	S162-K166 PolarHBondContact O-N 2.81Å; Q163-K166 PolarHBondContact O-N 2.93Å; K164-K166 PolarHBondContact O-N 2.78Å
167	Q	40.6	Very low	41	Very low	155 Å²	155	127.5 Å²	127.5	72%	0.724	62%	0.618	S	S	*	*	H	α-helix	trans	-73.5	-36.8	173.8	-71.3	177.2	-33.8	0	0	111.9	K164 N165	K164-Q167 PolarHBondContact O-N 3.03Å; N165-Q167 VanDerWaalsContact C-N 3.29Å; N165-Q167 PolarHBondContact O-N 3.22Å
168	T	38.3	Very low	39.8	Very low	80 Å²	80	128.2 Å²	128.2	49%	0.491	63%	0.632	S	S	.	*	H	α-helix	trans	-72.8	-27.9	179.5	-41.5	0	0	0	0	113.9	K164 N165 S171	K164-T168 PolarHBondContact O-OG1 2.97Å; N165-T168 PolarHBondContact O-N 3.23Å; T168-S171 PolarHBondContact O-OG 3.04Å
169	I	39.8	Very low	39.2	Very low	103 Å²	103	125.8 Å²	125.8	53%	0.528	63%	0.632	S	S	.	*	H	α-helix	trans	-89.3	-23.5	-175.6	-67.1	171.7	0	0	0	112.5	N165 S171 L172	N165-I169 WeakPolarHBondContact O-CG1 3.47Å; N165-I169 PolarHBondContact O-N 3.04Å; N165-I169 VanDerWaalsContact O-N 3.13Å; I169-S171 PolarHBondContact O-N 3.27Å; I169-L172 PolarHBondContact O-N 3.49Å
170	M	37.2	Very low	38.3	Very low	134 Å²	134	127.3 Å²	127.3	66%	0.66	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-16.1	173.7	-76.7	-170.1	67.3	0	0	114
171	S	37.4	Very low	37.6	Very low	90 Å²	90	130.6 Å²	130.6	63%	0.629	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	11.2	175.7	53.3	0	0	0	0	114.6	T168 I169	T168-S171 PolarHBondContact O-OG 3.04Å; I169-S171 PolarHBondContact O-N 3.27Å
172	L	40.3	Very low	37.5	Very low	109 Å²	109	131.9 Å²	131.9	57%	0.571	66%	0.657	S	S	*	*	S	Bend	trans	-112.6	9.9	-173.4	-65.6	176	0	0	0	114.7	I169	I169-L172 PolarHBondContact O-N 3.49Å
173	L	36.3	Very low	37	Very low	128 Å²	128	134.9 Å²	134.9	67%	0.67	67%	0.674	S	S	*	*	S	Bend	trans	-127	125	174.3	-75.5	163.5	0	0	0	110	Y175	L173-Y175 PolarHBondContact O-N 2.9Å
174	P	36.9	Very low	36.5	Very low	88 Å²	88	137.5 Å²	137.5	57%	0.571	68%	0.683	S	S	*	*			trans	-68.8	111.2	168.9	28.4	-31	0	0	0	108.9	S176	P174-S176 PolarHBondContact O-N 3.46Å; P174-S176 VanDerWaalsContact O-N 3.16Å
175	Y	34	Very low	36	Very low	168 Å²	168	135.4 Å²	135.4	66%	0.659	69%	0.689	S	S	*	*			trans	-73.6	104.1	-167.2	-121.3	-98.2	0	0	0	112.7	L173 Q177	L173-Y175 PolarHBondContact O-N 2.9Å; Y175-Q177 PolarHBondContact O-N 3.32Å
176	S	29.9	Very low	35.8	Very low	60 Å²	60	135.7 Å²	135.7	42%	0.42	70%	0.699	S	S	.	*			trans	-89.5	62.2	178.8	63.1	0	0	0	0	112.9	E93 R97 P174	E93-S176 VanDerWaalsContact CD-OG 3.23Å; E93-S176 PolarHBondContact OE1-OG 3.48Å; E93-S176 PolarHBondContact OE2-OG 3.43Å; R97-S176 PolarHBondContact NH2-OG 3.36Å; P174-S176 PolarHBondContact O-N 3.46Å; P174-S176 VanDerWaalsContact O-N 3.16Å
177	Q	34.6	Very low	35.4	Very low	163 Å²	163	135.9 Å²	135.9	76%	0.762	71%	0.706	S	S	*	*			trans	-131.6	102.3	176.3	-69	-165.1	-12.1	0	0	114.5	Y175	Y175-Q177 PolarHBondContact O-N 3.32Å
178	S	29.9	Very low	35.2	Very low	114 Å²	114	137.8 Å²	137.8	80%	0.797	72%	0.715	S	S	*	*			trans	-56.6	159.6	154.4	-157.2	0	0	0	0	110.5
179	P	34.5	Very low	34.8	Very low	106 Å²	106	145.1 Å²	145.1	69%	0.688	73%	0.733	S	S	*	*			cis	-146.4	152.4	26.7	40.5	-19.9	0	0	0	119.6	R181	P179-R181 PolarHBondContact O-N 2.85Å
180	Y	29.5	Very low	34.7	Very low	228 Å²	228	145.3 Å²	145.3	89%	0.894	74%	0.744	S	S	*	*			trans	-85	101.4	156.3	-85.2	-82.8	0	0	0	110.8
181	R	34.7	Very low	34.7	Very low	231 Å²	231	143.8 Å²	143.8	87%	0.872	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-87	133.2	155.5	-82.1	-168.5	174	-160.7	-1.4	109	P179	P179-R181 PolarHBondContact O-N 2.85Å
182	K	36.3	Very low	34.6	Very low	200 Å²	200	145.1 Å²	145.1	87%	0.87	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-61.8	133.2	175.4	-62.4	178.4	-179.5	178.5	0	110
183	P	32.6	Very low	34	Very low	128 Å²	128	144.9 Å²	144.9	83%	0.831	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-73.6	128.5	168.8	30.2	-32.1	0	0	0	109.8
184	K	36.6	Very low	34	Very low	197 Å²	197	143.3 Å²	143.3	86%	0.857	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-103.2	134.9	159.1	-78	-169.6	174.6	-175.9	0	108.4
185	S	32.7	Very low	33.7	Very low	117 Å²	117	145.1 Å²	145.1	82%	0.818	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-58.2	154.1	159	39.5	0	0	0	0	109.4
186	S	35.9	Very low	33.7	Very low	102 Å²	102	145.3 Å²	145.3	71%	0.713	77%	0.771	S	S	*	*			cis	-161.1	163	50	53.5	0	0	0	0	115.5
187	L	35.5	Very low	33.8	Very low	153 Å²	153	150.9 Å²	150.9	80%	0.801	79%	0.787	S	S	*	*			trans	41.6	99.7	141.7	-63.6	169.3	0	0	0	120.7
188	H	36.2	Very low	33.7	Very low	195 Å²	195	148.2 Å²	148.2	90%	0.903	78%	0.782	S	S	*	*				58.5	152.6	124.1	-95.7	-102.3	0	0	0	122.9
189	R	31	Very low	33.9	Very low	234 Å²	234	152.2 Å²	152.2	88%	0.883	78%	0.781	S	S	*	*			trans	-137.4	119.5	-162.1	173.4	-167.3	-177.4	-138.7	6.6	111.5
190	S	36.8	Very low	33.9	Very low	107 Å²	107	152.7 Å²	152.7	75%	0.748	78%	0.778	S	S	*	*			trans	-159.3	105.4	162.6	48.8	0	0	0	0	108.1
191	S	36.3	Very low	34.2	Very low	101 Å²	101	148.2 Å²	148.2	71%	0.706	77%	0.765	S	S	*	*				95.1	132.7	53.4	66.2	0	0	0	0	112.1
192	S	36.8	Very low	34.2	Very low	118 Å²	118	144 Å²	144	83%	0.825	76%	0.755	S	S	*	*			trans	67.8	158.3	-178.3	83.4	0	0	0	0	115.7
193	C	27.9	Very low	34.1	Very low	105 Å²	105	139.9 Å²	139.9	71%	0.709	75%	0.746	S	S	*	*			cis	-165.1	170.2	-46.3	59.6	0	0	0	0	108.6
194	S	35.1	Very low	34.1	Very low	94 Å²	94	140.1 Å²	140.1	66%	0.657	75%	0.746	S	S	*	*			trans	73.9	113.5	151.5	-58.1	0	0	0	0	121.2
195	N	31.9	Very low	34.1	Very low	126 Å²	126	136.3 Å²	136.3	67%	0.674	74%	0.741	S	S	*	*				81.4	118.6	129.9	-79.3	-55	0	0	0	122.6
196	K	34.1	Very low	33.9	Very low	173 Å²	173	135.7 Å²	135.7	75%	0.752	74%	0.736	S	S	*	*			trans	73.5	147.2	137.6	-60.6	169.6	-174.1	171.6	0	116.4
197	K	31.8	Very low	33.6	Very low	176 Å²	176	135.6 Å²	135.6	77%	0.765	73%	0.732	S	S	*	*			cis	-169.4	148.3	-7.7	-121.1	-172.7	174	-166.8	0	108.6
198	V	31.4	Very low	33.3	Very low	107 Å²	107	136.6 Å²	136.6	65%	0.648	73%	0.729	S	S	*	*			trans	64.3	145.6	144	167.1	0	0	0	0	116.7
199	Y	35.1	Very low	33.2	Very low	198 Å²	198	135.5 Å²	135.5	78%	0.776	72%	0.724	S	S	*	*			cis	-94.6	163.6	3.5	-80.4	-102.4	0	0	0	112
200	N	33.3	Very low	33.2	Very low	117 Å²	117	128.3 Å²	128.3	63%	0.626	71%	0.71	S	S	*	*				59.1	141.8	55.7	-93.1	31.9	0	0	0	112.8
201	E	37.1	Very low	32.8	Very low	134 Å²	134	133.6 Å²	133.6	63%	0.626	71%	0.714	S	S	*	*			cis	-135.3	144.1	16.4	-119.8	120.3	-129.1	0	0	110.4
202	Q	34.7	Very low	32.6	Very low	143 Å²	143	136.6 Å²	136.6	67%	0.668	72%	0.716	S	S	*	*				65.4	144.1	96.5	-64.3	-177.9	42	0	0	115.7
203	T	34.3	Very low	32.3	Very low	112 Å²	112	140.5 Å²	140.5	69%	0.687	71%	0.714	S	S	*	*			cis	-156.1	139.6	10.4	4.7	0	0	0	0	112.7
204	V	32.8	Very low	32.4	Very low	134 Å²	134	140.8 Å²	140.8	81%	0.812	71%	0.709	S	S	*	*			trans	15.7	160.5	152.5	-74.5	0	0	0	0	125.4
205	P	35.6	Very low	32.3	Very low	117 Å²	117	144.1 Å²	144.1	76%	0.76	71%	0.714	S	S	*	*			trans	-121.9	-165.3	-163.4	45.4	-31.4	0	0	0	115.6
206	S	27.7	Very low	32.1	Very low	103 Å²	103	142.5 Å²	142.5	72%	0.72	71%	0.713	S	S	*	*			trans	78.3	156	167.3	-154.3	0	0	0	0	113.9
207	T	30.1	Very low	32	Very low	100 Å²	100	140.2 Å²	140.2	61%	0.613	71%	0.709	S	S	*	*			cis	-159.6	129	24.6	-44.4	0	0	0	0	113.9
208	K	30.3	Very low	31.9	Very low	174 Å²	174	139 Å²	139	76%	0.757	71%	0.705	S	S	*	*			trans	56.6	162.4	152.7	-64.9	172.4	-169	174.3	0	121.7
209	H	33.3	Very low	32	Very low	172 Å²	172	143.3 Å²	143.3	80%	0.796	71%	0.71	S	S	*	*			trans	69.9	150.1	165.8	-59.5	-76.6	0	0	0	117.4
210	S	30.7	Very low	31.7	Very low	84 Å²	84	140.3 Å²	140.3	59%	0.587	71%	0.708	S	S	*	*			cis	173.1	120.5	-31.5	159.1	0	0	0	0	107.2
211	R	29.6	Very low	31.7	Very low	217 Å²	217	142.1 Å²	142.1	82%	0.819	72%	0.716	S	S	*	*			trans	44.5	121	163.4	-48.8	174	-179.3	167.5	-1.5	116.2
212	H	32.3	Very low	31.4	Very low	164 Å²	164	144.1 Å²	144.1	76%	0.759	73%	0.725	S	S	*	*				-165.5	141.9	69.2	-102.1	-90.4	0	0	0	112.5
213	Y	28.6	Very low	31.4	Very low	200 Å²	200	143.8 Å²	143.8	78%	0.784	72%	0.724	S	S	*	*				25.2	135.2	129	-125.4	-118.4	0	0	0	121.9
214	N	30.4	Very low	31.5	Very low	111 Å²	111	144.7 Å²	144.7	59%	0.594	73%	0.731	S	S	*	*			trans	99	141	134.4	-119.8	8	0	0	0	121
215	Q	33.2	Very low	31.4	Very low	165 Å²	165	144.9 Å²	144.9	77%	0.771	72%	0.721	S	S	*	*			trans	67	140.8	155.9	-68	166.8	4.2	0	0	118.1
216	S	28.9	Very low	31.4	Very low	92 Å²	92	146.6 Å²	146.6	64%	0.643	72%	0.724	S	S	*	*			cis	-171	-176.3	-10.9	58	0	0	0	0	111.6
217	N	31.4	Very low	31.5	Very low	125 Å²	125	147.9 Å²	147.9	67%	0.668	72%	0.723	S	S	*	*			trans	81.6	109.2	152.7	-65.7	18	0	0	0	122.5
218	E	28.8	Very low	31.4	Very low	149 Å²	149	147.6 Å²	147.6	70%	0.696	72%	0.721	S	S	*	*				60.1	106.6	101.4	-126.3	-177.5	-151.1	0	0	120.2
219	R	33.4	Very low	31.5	Very low	198 Å²	198	146.4 Å²	146.4	75%	0.747	72%	0.718	S	S	*	*				166.6	134.1	99.8	-89.9	170.9	-71.9	-177.9	-3.5	116.4
220	D	29.4	Very low	31.2	Very low	136 Å²	136	144.5 Å²	144.5	73%	0.727	71%	0.713	S	S	*	*				58.6	164.9	130	-52.1	-27.4	0	0	0	124.7
221	I	34	Very low	31.3	Very low	155 Å²	155	147.1 Å²	147.1	80%	0.795	73%	0.726	S	S	*	*			trans	77.3	129.1	165.3	-46.8	178	0	0	0	115.9
222	Q	30.7	Very low	31.2	Very low	175 Å²	175	141.2 Å²	141.2	82%	0.818	72%	0.718	S	S	*	*			cis	-174.3	161.7	-39.2	-111.3	170.4	-1.1	0	0	106.7
223	E	34.6	Very low	31.2	Very low	137 Å²	137	140.7 Å²	140.7	64%	0.64	72%	0.718	S	S	*	*			trans	-68.2	169.8	169.4	-59.1	-176.8	117.7	0	0	111.9	K225	E223-K225 IonicContact OE1-NZ 3.79Å; E223-K225 PolarHBondContact OE1-NZ 3.04Å; E223-K225 IonicContact OE2-NZ 2.67Å; E223-K225 PolarHBondContact OE2-NZ 2.92Å
224	P	36.1	Very low	31.4	Very low	131 Å²	131	137.9 Å²	137.9	85%	0.851	71%	0.712	S	S	*	*				-135.2	145.1	96.2	37.2	-28.3	0	0	0	115.4
225	K	31.3	Very low	31.6	Very low	138 Å²	138	138.9 Å²	138.9	60%	0.6	71%	0.714	S	S	*	*			trans	-73.8	162.1	162.3	-59.4	167.3	168.9	62.1	0	110.4	E223	E223-K225 IonicContact OE1-NZ 3.79Å; E223-K225 PolarHBondContact OE1-NZ 3.04Å; E223-K225 IonicContact OE2-NZ 2.67Å; E223-K225 PolarHBondContact OE2-NZ 2.92Å
226	N	34.3	Very low	31.4	Very low	153 Å²	153	137.3 Å²	137.3	82%	0.818	71%	0.711	S	S	*	*			trans	151.5	157.1	142.3	-80.4	-21	0	0	0	112.9
227	N	29.4	Very low	31.7	Very low	129 Å²	129	141.9 Å²	141.9	69%	0.69	72%	0.722	S	S	*	*			cis	-166.5	159.4	-38.2	-155.6	5.8	0	0	0	110.2
228	T	28.7	Very low	31.7	Very low	94 Å²	94	142.8 Å²	142.8	58%	0.577	73%	0.727	S	S	*	*			trans	56.1	131.6	149.5	42.3	0	0	0	0	124.6
229	H	32.3	Very low	31.9	Very low	149 Å²	149	142.1 Å²	142.1	69%	0.69	73%	0.733	S	S	*	*				88.9	107.4	128.5	-72.8	-37.8	0	0	0	124.6
230	N	27.9	Very low	31.7	Very low	132 Å²	132	139 Å²	139	71%	0.706	74%	0.736	S	S	*	*				73	154.4	115	-61.6	10.4	0	0	0	122.8
231	V	31.7	Very low	31.8	Very low	140 Å²	140	141.8 Å²	141.8	85%	0.848	74%	0.742	S	S	*	*			trans	77.2	140.9	161.4	-164.2	0	0	0	0	115.9
232	S	28.3	Very low	31.6	Very low	93 Å²	93	143.4 Å²	143.4	65%	0.65	75%	0.746	S	S	*	*			cis	-179.9	170.1	-36.6	-172	0	0	0	0	106.4
233	M	32.4	Very low	31.5	Very low	153 Å²	153	140.3 Å²	140.3	75%	0.754	74%	0.739	S	S	*	*			trans	71.2	142.5	160.9	-53.6	-162.8	107.4	0	0	116.2
234	Q	31.7	Very low	31.2	Very low	141 Å²	141	145.6 Å²	145.6	66%	0.659	75%	0.753	S	S	*	*			cis	-170	175.5	-18.5	-144.3	171.9	7.6	0	0	110.6
235	M	34.3	Very low	30.9	Very low	132 Å²	132	147.4 Å²	147.4	65%	0.65	75%	0.747	S	S	*	*			trans	67.1	100.6	157	-59.3	-62.4	176.6	0	0	119.5
236	D	29.3	Very low	30.7	Very low	131 Å²	131	147.6 Å²	147.6	70%	0.701	76%	0.76	S	S	*	*				48.9	122	111.1	-50.3	-2.8	0	0	0	120.3
237	H	36.9	Very low	30.6	Very low	188 Å²	188	150.9 Å²	150.9	87%	0.87	76%	0.761	S	S	*	*				-166.6	136.5	103.5	-115.4	-73.4	0	0	0	113.8
238	D	31	Very low	30.8	Very low	144 Å²	144	154.3 Å²	154.3	77%	0.77	77%	0.77	S	S	*	*			trans	-66	139.5	162.8	-79	-60.2	0	0	0	111.9
239	T	32.6	Very low	30.8	Very low	136 Å²	136	157.7 Å²	157.7	83%	0.834	78%	0.781	S	S	*	*				-166.3	127.3	121.6	10.3	0	0	0	0	114.1	K241	T239-K241 PolarHBondContact O-N 3.18Å
240	T	29.7	Very low	30.6	Very low	131 Å²	131	154.6 Å²	154.6	80%	0.804	77%	0.774	S	S	*	*			trans	-53	112.5	168.7	-54	0	0	0	0	113
241	K	30.9	Very low	30.7	Very low	195 Å²	195	153.7 Å²	153.7	85%	0.848	78%	0.778	S	S	*	*			trans	-132.8	128.9	153.9	-76.3	-166.2	175.9	176.4	0	112.1	T239 V243	T239-K241 PolarHBondContact O-N 3.18Å; K241-V243 PolarHBondContact O-N 2.72Å
242	Q	29.8	Very low	30.6	Very low	190 Å²	190	153.8 Å²	153.8	89%	0.888	77%	0.769	S	S	*	*			trans	-70.5	123.2	-172.5	-58.4	170.1	4.6	0	0	110.7
243	V	27.7	Very low	30.5	Very low	110 Å²	110	157.4 Å²	157.4	67%	0.667	77%	0.77	S	S	*	*			trans	-130.3	110.1	171.3	-178.1	0	0	0	0	109.7	K241 K245	K241-V243 PolarHBondContact O-N 2.72Å; V243-K245 HydrophobicContact CG1-CG 4.44Å; V243-K245 PolarHBondContact O-N 2.74Å; V243-K245 VanDerWaalsContact O-N 3.12Å
244	R	28.9	Very low	30.4	Very low	248 Å²	248	159.8 Å²	159.8	94%	0.936	77%	0.771	S	S	*	*			trans	-56	112.9	174.3	-71.4	173	169.3	150.1	-5.4	110.2
245	K	29.5	Very low	30.5	Very low	168 Å²	168	160.6 Å²	160.6	73%	0.73	77%	0.774	S	S	*	*			trans	-127.6	85.3	169.3	-77.9	-177	177.2	173.1	0	110.5	V243 R247	V243-K245 HydrophobicContact CG1-CG 4.44Å; V243-K245 PolarHBondContact O-N 2.74Å; V243-K245 VanDerWaalsContact O-N 3.12Å; K245-R247 PolarHBondContact O-N 3.05Å
246	T	28.2	Very low	30.3	Very low	143 Å²	143	160.2 Å²	160.2	88%	0.877	77%	0.774	S	S	*	*			trans	-63.7	92.5	173	48.2	0	0	0	0	111
247	R	31.4	Very low	30.2	Very low	222 Å²	222	159.6 Å²	159.6	84%	0.838	78%	0.778	S	S	*	*			trans	-97.8	105.1	175.3	-83.7	-176.7	161.3	176.5	-6.6	111	K245 M249	K245-R247 PolarHBondContact O-N 3.05Å; R247-M249 PolarHBondContact O-N 3.18Å
248	K	33.1	Very low	30	Very low	201 Å²	201	157.5 Å²	157.5	87%	0.874	77%	0.768	S	S	*	*			trans	-72.6	113	165.3	-60.1	172.1	179.8	176.1	0	108.9
249	M	30	Very low	30	Very low	164 Å²	164	157.6 Å²	157.6	81%	0.808	77%	0.767	S	S	*	*			trans	-153.4	157.8	168.9	-77.8	-48.7	-78.7	0	0	108	R247	R247-M249 PolarHBondContact O-N 3.18Å
250	P	26.8	Very low	29.9	Very low	84 Å²	84	157.6 Å²	157.6	55%	0.545	76%	0.758	S	S	.	*				-117	150.3	-90.3	34.9	-20.5	0	0	0	113.5	Q252	P250-Q252 HydrophobicContact CG-CG 4.4Å; P250-Q252 PolarHBondContact O-N 2.95Å; P250-Q252 VanDerWaalsContact O-N 3.09Å
251	S	30.2	Very low	30.3	Very low	113 Å²	113	153.3 Å²	153.3	79%	0.79	73%	0.729	S	S	*	*			trans	-68.5	108.1	171.6	-176.8	0	0	0	0	110.6
252	Q	30.7	Very low	30.7	Very low	142 Å²	142	151.4 Å²	151.4	66%	0.664	72%	0.721	S	S	*	*			trans	-115.8	56.6	172.5	-67.4	-162	18.8	0	0	111.5	P250 R254	P250-Q252 HydrophobicContact CG-CG 4.4Å; P250-Q252 PolarHBondContact O-N 2.95Å; P250-Q252 VanDerWaalsContact O-N 3.09Å; Q252-R254 PolarHBondContact O-N 3.4Å
253	Y	26.6	Very low	31.7	Very low	170 Å²	170	147 Å²	147	67%	0.667	70%	0.701	S	S	*	*			trans	-69.1	87.9	161.1	-93.7	-84.9	0	0	0	109.2	Q255	Y253-Q255 PolarHBondContact O-N 2.85Å
254	R	30.1	Very low	33.1	Very low	202 Å²	202	146.1 Å²	146.1	76%	0.762	70%	0.696	S	S	*	*			trans	-68.6	114.2	179.8	-157.5	-179.5	-62.8	-168	6.2	108.3	Q252 L256	Q252-R254 PolarHBondContact O-N 3.4Å; R254-L256 PolarHBondContact O-N 2.95Å
255	Q	33.2	Very low	35.4	Very low	158 Å²	158	138 Å²	138	74%	0.738	68%	0.676	S	S	*	*			trans	-65.9	118.7	-176	-68.4	172.4	-42.3	0	0	110.2	Y253	Y253-Q255 PolarHBondContact O-N 2.85Å
256	L	29.9	Very low	38.2	Very low	124 Å²	124	130.2 Å²	130.2	65%	0.649	64%	0.644	S	S	*	*			trans	-57.1	146.6	155.8	-81.8	159.8	0	0	0	108.5	R254 Q258	R254-L256 PolarHBondContact O-N 2.95Å; L256-Q258 PolarHBondContact O-N 3.46Å
257	P	27.3	Very low	41.2	Very low	119 Å²	119	126 Å²	126	77%	0.773	62%	0.615	S	S	*	*			trans	-64.2	100.9	-166.2	25	-34.4	0	0	0	111	I259	P257-I259 PolarHBondContact O-N 3.36Å
258	Q	33.1	Very low	44.2	Very low	143 Å²	143	115.7 Å²	115.7	67%	0.668	58%	0.577	S	S	*	*			trans	-55.9	128.7	159.9	-65.7	-173.7	-9.7	0	0	106.8	L256 E260	L256-Q258 PolarHBondContact O-N 3.46Å; Q258-E260 VanDerWaalsContact C-N 3.28Å; Q258-E260 PolarHBondContact O-N 3.27Å
259	I	30.5	Very low	47.2	Very low	146 Å²	146	108.2 Å²	108.2	75%	0.749	54%	0.544	S	S	*	.			trans	-59.3	101.9	162.5	-58.4	175.6	0	0	0	104.7	P257 I261	P257-I259 PolarHBondContact O-N 3.36Å; I259-I261 HydrophobicContact CG2-CD1 4.45Å; I259-I261 HydrophobicContact CG2-CG1 4.21Å; I259-I261 PolarHBondContact O-N 3.41Å
260	E	30.7	Very low	50.3	Low	137 Å²	137	100.5 Å²	100.5	64%	0.64	51%	0.506	S	S	*	.			trans	-76.1	57	-163.6	-158.5	-164.3	-129.3	0	0	112.1	Q258 K262	Q258-E260 VanDerWaalsContact C-N 3.28Å; Q258-E260 PolarHBondContact O-N 3.27Å; E260-K262 HydrophobicContact CG-CG 4.41Å; E260-K262 PolarHBondContact O-N 2.82Å; E260-K262 WeakPolarHBondContact OE2-CE 3.33Å; E260-K262 IonicContact OE2-NZ 2.87Å; E260-K262 PolarHBondContact OE2-NZ 3.5Å
261	I	38.7	Very low	53.6	Low	40 Å²	40	98.6 Å²	98.6	21%	0.205	49%	0.49	C	S	.	.			trans	-60.6	104.5	158.6	-60.3	175	0	0	0	105	L83 I259 Q263	L83-I261 HydrophobicContact CB-CD1 3.9Å; L83-I261 HydrophobicContact CD1-CD1 3.86Å; L83-I261 HydrophobicContact CD2-CD1 3.72Å; L83-I261 HydrophobicContact CG-CD1 4Å; I259-I261 HydrophobicContact CG2-CD1 4.45Å; I259-I261 HydrophobicContact CG2-CG1 4.21Å; I259-I261 PolarHBondContact O-N 3.41Å; I261-Q263 PolarHBondContact O-N 2.85Å
262	K	38.1	Very low	56.8	Low	156 Å²	156	93.2 Å²	93.2	68%	0.678	45%	0.453	S	S	*	.			trans	-65.1	76.5	177.2	-70.5	175.9	-179	170.6	0	109.5	E260 T264	E260-K262 HydrophobicContact CG-CG 4.41Å; E260-K262 PolarHBondContact O-N 2.82Å; E260-K262 WeakPolarHBondContact OE2-CE 3.33Å; E260-K262 IonicContact OE2-NZ 2.87Å; E260-K262 PolarHBondContact OE2-NZ 3.5Å; K262-T264 PolarHBondContact O-N 2.87Å
263	Q	50.9	Low	59.7	Low	98 Å²	98	87 Å²	87	46%	0.458	42%	0.424	S	S	.	.			trans	-74.1	76.3	-177.8	-161.1	-177.4	58.8	0	0	107.4	I261 S265	I261-Q263 PolarHBondContact O-N 2.85Å; Q263-S265 PolarHBondContact O-N 2.92Å; Q263-S265 VanDerWaalsContact O-N 3.15Å
264	T	57.8	Low	62.8	Low	91 Å²	91	79 Å²	79	56%	0.558	39%	0.393	S	S	*	.			trans	-44.2	121.7	178.5	46	0	0	0	0	109.6	K262 C266 G396 S397	K262-T264 PolarHBondContact O-N 2.87Å; T264-C266 PolarHBondContact O-N 3.32Å; T264-G396 CarbonylContact O-C 3.6Å; T264-G396 WeakPolarHBondContact O-CA 3.24Å; T264-G396 WeakPolarHBondContact OG1-CA 3.43Å; T264-S397 PolarHBondContact O-N 3Å
265	S	76.4	Confident	65.7	Low	76 Å²	76	73 Å²	73	53%	0.531	38%	0.376	S	S	.	.			trans	-55.1	136.4	-174.3	-43	0	0	0	0	109.8	Q263 I267	Q263-S265 PolarHBondContact O-N 2.92Å; Q263-S265 VanDerWaalsContact O-N 3.15Å; S265-I267 PolarHBondContact O-N 3.24Å
266	C	88.2	Confident	68.2	Low	6 Å²	6	67.1 Å²	67.1	4%	0.041	35%	0.352	C	S	.	.			trans	-71.7	105.3	-174.9	-171.2	0	0	0	0	110.2	T264 I345 S346 E373 V394	T264-C266 PolarHBondContact O-N 3.32Å; C266-I345 WeakPolarHBondContact O-CA 3.33Å; C266-S346 PolarHBondContact O-N 3.08Å; C266-E373 VanDerWaalsContact SG-CD 3.53Å; C266-E373 PolarHBondContact SG-OE2 2.8Å; C266-V394 WeakPolarHBondContact SG-CG1 3.35Å
267	I	92.8	Very high	70.7	Confident	54 Å²	54	69.7 Å²	69.7	28%	0.277	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.7	176.7	-62.9	165.1	0	0	0	108.1	S265 K269 Q343 I344 I345 V394 E395	S265-I267 PolarHBondContact O-N 3.24Å; I267-K269 HydrophobicContact CG2-CG 4.27Å; I267-Q343 HydrophobicContact CG2-CB 4.23Å; I267-I344 WeakPolarHBondContact CA-O 3.47Å; I267-I345 HydrophobicContact CG1-CG1 4.45Å; I267-V394 WeakPolarHBondContact O-CA 3.49Å; I267-E395 PolarHBondContact N-O 2.9Å; I267-E395 PolarHBondContact O-N 2.82Å
268	V	94.3	Very high	73.5	Confident	6 Å²	6	68.7 Å²	68.7	4%	0.036	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.5	170.1	-178.1	0	0	0	0	108.7	L270 Q343 I344 E373 Y391 S393	V268-L270 HydrophobicContact CB-CD1 4.35Å; V268-L270 HydrophobicContact CG1-CD1 3.77Å; V268-L270 HydrophobicContact CG1-CG 4.35Å; V268-Q343 WeakPolarHBondContact O-CA 3.1Å; V268-I344 HydrophobicContact CB-CD1 4.27Å; V268-I344 HydrophobicContact CB-CG1 3.79Å; V268-I344 PolarHBondContact N-O 2.7Å; V268-I344 PolarHBondContact O-N 2.75Å; V268-E373 HydrophobicContact CG2-CB 3.75Å; V268-E373 HydrophobicContact CG2-CG 3.66Å; V268-Y391 HydrophobicContact CG1-CD2 4.17Å; V268-Y391 HydrophobicContact CG1-CE2 3.44Å; V268-Y391 VanDerWaalsContact CG1-CE2 3.44Å; V268-S393 WeakPolarHBondContact CA-O 3.34Å
269	K	95.7	Very high	76	Confident	43 Å²	43	62.5 Å²	62.5	19%	0.187	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.2	176.5	-55.2	-170.1	-175	149	0	109.9	I267 Q343 L392 S393 E395	I267-K269 HydrophobicContact CG2-CG 4.27Å; K269-Q343 HydrophobicContact CD-CG 4.32Å; K269-Q343 VanDerWaalsContact CE-OE1 3.23Å; K269-Q343 HydrophobicContact CG-CG 3.96Å; K269-L392 HydrophobicContact CB-CB 4.09Å; K269-L392 WeakPolarHBondContact O-CA 3.39Å; K269-L392 WeakPolarHBondContact O-CB 3.38Å; K269-L392 PolarHBondContact O-N 3.09Å; K269-S393 WeakPolarHBondContact CD-OG 3.37Å; K269-S393 PolarHBondContact N-O 3.43Å; K269-E395 WeakPolarHBondContact CE-OE1 3.27Å; K269-E395 WeakPolarHBondContact CE-OE2 3.42Å; K269-E395 IonicContact NZ-OE1 3.88Å; K269-E395 PolarHBondContact NZ-OE1 2.92Å; K269-E395 IonicContact NZ-OE2 3.25Å; K269-E395 PolarHBondContact NZ-OE2 3.21Å
270	L	95.7	Very high	78.6	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.3	-178.6	-65.5	98.1	0	0	0	110.8	V268 T341 F342 I344 I358 I382 V390	V268-L270 HydrophobicContact CB-CD1 4.35Å; V268-L270 HydrophobicContact CG1-CD1 3.77Å; V268-L270 HydrophobicContact CG1-CG 4.35Å; L270-T341 CarbonylContact O-C 3.59Å; L270-T341 VanDerWaalsContact O-CA 3.29Å; L270-T341 WeakPolarHBondContact O-CA 3.47Å; L270-F342 HydrophobicContact CB-CD1 4.1Å; L270-F342 HydrophobicContact CB-CE1 3.59Å; L270-F342 HydrophobicContact CB-CE2 4.19Å; L270-F342 HydrophobicContact CB-CZ 3.65Å; L270-F342 HydrophobicContact CD1-CE2 4.17Å; L270-F342 HydrophobicContact CD1-CZ 4.31Å; L270-F342 HydrophobicContact CD2-CZ 4.19Å; L270-F342 HydrophobicContact CG-CZ 4.27Å; L270-F342 PolarHBondContact N-O 2.95Å; L270-F342 WeakPolarHBondContact O-CD1 3.39Å; L270-F342 PolarHBondContact O-N 2.97Å; L270-I344 HydrophobicContact CD1-CD1 3.71Å; L270-I344 HydrophobicContact CD1-CG1 3.81Å; L270-I344 HydrophobicContact CD1-CG2 4.33Å; L270-I358 HydrophobicContact CD2-CD1 4.27Å; L270-I382 HydrophobicContact CD2-CD1 3.5Å; L270-V390 CarbonylContact C-O 3.6Å; L270-V390 VanDerWaalsContact CA-O 3.31Å; L270-V390 WeakPolarHBondContact CA-O 3.4Å
271	M	95.8	Very high	81.1	Confident	44 Å²	44	55.4 Å²	55.4	22%	0.217	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.6	167.7	179.8	177.9	-75.1	0	0	109.9	L273 D340 F389 V390 L392	M271-L273 HydrophobicContact CG-CD2 4.39Å; M271-L273 HydrophobicContact SD-CD2 4.24Å; M271-D340 WeakPolarHBondContact CA-O 3.5Å; M271-F389 CarbonylContact O-C 3.47Å; M271-F389 VanDerWaalsContact O-CA 3.31Å; M271-F389 WeakPolarHBondContact O-CA 3.3Å; M271-V390 HydrophobicContact CB-CB 4.4Å; M271-V390 PolarHBondContact N-O 3.48Å; M271-V390 PolarHBondContact O-N 3.37Å; M271-L392 HydrophobicContact CB-CD1 4.11Å; M271-L392 HydrophobicContact CB-CD2 4.11Å; M271-L392 HydrophobicContact CB-CG 4.22Å
272	Y	95.7	Very high	83.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.7	170.3	174.2	-129.2	0	0	0	110	R315 L336 Q337 P338 G339 D340 H388 F389	Y272-R315 WeakPolarHBondContact OH-CD 3.21Å; Y272-R315 PolarHBondContact OH-NH1 2.78Å; Y272-L336 HydrophobicContact CD1-CB 3.84Å; Y272-L336 WeakPolarHBondContact CE1-O 3.15Å; Y272-L336 HydrophobicContact CG-CB 4.45Å; Y272-Q337 WeakPolarHBondContact CD1-O 2.98Å; Y272-P338 HydrophobicContact CE1-CG 4.46Å; Y272-G339 PolarHBondContact O-N 3.5Å; Y272-D340 PolarHBondContact N-O 2.67Å; Y272-H388 WeakPolarHBondContact CD2-O 3.26Å; Y272-H388 HydrophobicContact CE2-CB 4.27Å; Y272-F389 HydrophobicContact CD2-CD1 4.13Å; Y272-F389 AromaticContact CD2-CE1 3.48Å; Y272-F389 HydrophobicContact CD2-CE1 3.48Å; Y272-F389 VanDerWaalsContact CD2-CE1 3.48Å; Y272-F389 HydrophobicContact CD2-CE2 4.26Å; Y272-F389 AromaticContact CD2-CZ 3.55Å; Y272-F389 HydrophobicContact CD2-CZ 3.55Å; Y272-F389 HydrophobicContact CE2-CE1 4.39Å; Y272-F389 HydrophobicContact CE2-CZ 4.02Å; Y272-F389 AromaticContact CG-CE1 4Å; Y272-F389 HydrophobicContact CG-CE1 4Å; Y272-F389 HydrophobicContact CG-CZ 4.42Å
273	L	93.4	Very high	85.2	Confident	13 Å²	13	52 Å²	52	7%	0.068	27%	0.272	C	S	.	.			trans	-97.1	-8	-176.6	-64.5	-177.2	0	0	0	114.3	M271 E280 I283 R381 H388 V390	M271-L273 HydrophobicContact CG-CD2 4.39Å; M271-L273 HydrophobicContact SD-CD2 4.24Å; L273-E280 HydrophobicContact CB-CG 4.32Å; L273-E280 WeakPolarHBondContact O-CA 3.36Å; L273-E280 PolarHBondContact O-N 2.79Å; L273-I283 HydrophobicContact CB-CD1 4.38Å; L273-I283 HydrophobicContact CD2-CD1 4.01Å; L273-I283 WeakPolarHBondContact O-CD1 3.38Å; L273-R381 VanDerWaalsContact CD1-CZ 3.45Å; L273-H388 PolarHBondContact N-O 2.87Å; L273-V390 HydrophobicContact CD1-CG2 3.6Å; L273-V390 HydrophobicContact CD2-CG2 3.97Å; L273-V390 HydrophobicContact CG-CG2 3.86Å
274	G	91.3	Very high	86.3	Confident	1 Å²	1	52 Å²	52	1%	0.01	27%	0.272	C	S	.	.			trans	84.4	164	-162.3	0	0	0	0	0	112.6	E279 H388	G274-E279 WeakPolarHBondContact CA-OE2 3.38Å; G274-H388 WeakPolarHBondContact O-CB 3.48Å; G274-H388 PolarHBondContact O-CD2 2.8Å
275	I	89.5	Confident	87	Confident	77 Å²	77	53.5 Å²	53.5	40%	0.395	27%	0.273	S	S	.	.	S	Bend	trans	-90.6	-6.8	179.2	76.9	-179.2	0	0	0	113.4	E279 V360 H388	I275-E279 PolarHBondContact N-OE2 3.15Å; I275-V360 HydrophobicContact CG2-CG1 3.92Å; I275-H388 PolarHBondContact O-NE2 2.83Å
276	S	86.2	Confident	87	Confident	34 Å²	34	53.2 Å²	53.2	24%	0.238	27%	0.268	C	S	.	.	S	Bend	trans	-126.3	143.7	-176.1	67.1	0	0	0	0	110.9	T278 E279 E280	S276-T278 PolarHBondContact O-N 2.77Å; S276-T278 VanDerWaalsContact O-N 3.11Å; S276-T278 PolarHBondContact OG-OG1 2.71Å; S276-T278 VanDerWaalsContact OG-OG1 3.13Å; S276-E279 WeakPolarHBondContact O-CB 3.47Å; S276-E279 PolarHBondContact O-N 2.83Å; S276-E279 WeakPolarHBondContact OG-CB 3.27Å; S276-E279 WeakPolarHBondContact OG-CG 3.38Å; S276-E279 PolarHBondContact OG-N 3.42Å; S276-E279 PolarHBondContact OG-OE1 3.41Å; S276-E280 PolarHBondContact O-N 3.13Å
277	R	83.6	Confident	86.3	Confident	177 Å²	177	56 Å²	56	67%	0.668	28%	0.282	S	S	*	.	H	α-helix	trans	-59.6	-24	176.5	-68	-174.8	176	-167.7	-0.9	112.6	S281	R277-S281 VanDerWaalsContact O-CB 3.3Å; R277-S281 WeakPolarHBondContact O-CB 3.29Å; R277-S281 PolarHBondContact O-N 3.02Å; R277-S281 PolarHBondContact O-OG 2.9Å
278	T	84.7	Confident	85.4	Confident	99 Å²	99	56.1 Å²	56.1	61%	0.607	28%	0.283	S	S	*	.	H	α-helix	trans	-76.1	-28.6	174.4	42.7	0	0	0	0	113.1	S276 K282	S276-T278 PolarHBondContact O-N 2.77Å; S276-T278 VanDerWaalsContact O-N 3.11Å; S276-T278 PolarHBondContact OG-OG1 2.71Å; S276-T278 VanDerWaalsContact OG-OG1 3.13Å; T278-K282 WeakPolarHBondContact O-CG 3.36Å
279	E	86	Confident	84.2	Confident	12 Å²	12	59.6 Å²	59.6	6%	0.056	30%	0.299	C	S	.	.	H	α-helix	trans	-72	-49.4	166.4	-74.6	156.3	-137.9	0	0	111	G274 I275 S276 S281 K282 I283 L313 R315 P338	G274-E279 WeakPolarHBondContact CA-OE2 3.38Å; I275-E279 PolarHBondContact N-OE2 3.15Å; S276-E279 WeakPolarHBondContact O-CB 3.47Å; S276-E279 PolarHBondContact O-N 2.83Å; S276-E279 WeakPolarHBondContact OG-CB 3.27Å; S276-E279 WeakPolarHBondContact OG-CG 3.38Å; S276-E279 PolarHBondContact OG-N 3.42Å; S276-E279 PolarHBondContact OG-OE1 3.41Å; E279-S281 VanDerWaalsContact C-N 3.26Å; E279-S281 PolarHBondContact O-N 2.85Å; E279-K282 WeakPolarHBondContact O-CB 3.49Å; E279-K282 PolarHBondContact O-N 3.46Å; E279-I283 PolarHBondContact O-N 3.07Å; E279-L313 HydrophobicContact CG-CD2 4.47Å; E279-R315 VanDerWaalsContact CD-NH1 3.33Å; E279-R315 IonicContact OE1-CZ 3.63Å; E279-R315 IonicContact OE1-NH1 3.64Å; E279-R315 PolarHBondContact OE1-NH1 2.88Å; E279-R315 IonicContact OE1-NH2 3.61Å; E279-R315 PolarHBondContact OE1-NH2 3.21Å; E279-R315 IonicContact OE2-CZ 2.7Å; E279-R315 IonicContact OE2-NH1 3.56Å; E279-R315 PolarHBondContact OE2-NH1 3.42Å; E279-R315 IonicContact OE2-NH2 3.91Å; E279-P338 HydrophobicContact CB-CB 4Å; E279-P338 HydrophobicContact CB-CG 3.69Å; E279-P338 HydrophobicContact CG-CG 3.88Å
280	E	85.1	Confident	82.7	Confident	58 Å²	58	64 Å²	64	27%	0.271	32%	0.32	S	S	.	.	H	α-helix	trans	-56.5	-41.1	178.8	-173.5	179	170.9	0	0	111.7	L273 S276 K282 I283 Q284 R381	L273-E280 HydrophobicContact CB-CG 4.32Å; L273-E280 WeakPolarHBondContact O-CA 3.36Å; L273-E280 PolarHBondContact O-N 2.79Å; S276-E280 PolarHBondContact O-N 3.13Å; E280-K282 VanDerWaalsContact C-N 3.29Å; E280-K282 PolarHBondContact O-N 3.02Å; E280-I283 VanDerWaalsContact O-CB 3.3Å; E280-I283 WeakPolarHBondContact O-CB 3.26Å; E280-I283 PolarHBondContact O-N 2.96Å; E280-I283 VanDerWaalsContact O-N 3.11Å; E280-Q284 PolarHBondContact O-N 2.8Å; E280-R381 VanDerWaalsContact CD-NH1 3.34Å; E280-R381 IonicContact OE1-CZ 3.45Å; E280-R381 IonicContact OE1-NH1 3.24Å; E280-R381 PolarHBondContact OE1-NH1 3.39Å; E280-R381 IonicContact OE1-NH2 2.75Å; E280-R381 IonicContact OE2-CZ 2.65Å; E280-R381 IonicContact OE2-NH1 3.59Å; E280-R381 PolarHBondContact OE2-NH1 3.11Å; E280-R381 IonicContact OE2-NH2 3.54Å; E280-R381 PolarHBondContact OE2-NH2 2.79Å
281	S	82.6	Confident	81.3	Confident	77 Å²	77	69.6 Å²	69.6	54%	0.538	34%	0.344	S	S	.	.	H	α-helix	trans	-64.1	-29.3	177	-61	0	0	0	0	113.7	R277 E279 I283 Q284 H285	R277-S281 VanDerWaalsContact O-CB 3.3Å; R277-S281 WeakPolarHBondContact O-CB 3.29Å; R277-S281 PolarHBondContact O-N 3.02Å; R277-S281 PolarHBondContact O-OG 2.9Å; E279-S281 VanDerWaalsContact C-N 3.26Å; E279-S281 PolarHBondContact O-N 2.85Å; S281-I283 VanDerWaalsContact C-N 3.29Å; S281-I283 PolarHBondContact O-N 3.22Å; S281-Q284 PolarHBondContact O-N 3.42Å; S281-H285 PolarHBondContact O-N 2.69Å
282	K	81.2	Confident	79.8	Confident	106 Å²	106	73.2 Å²	73.2	46%	0.461	37%	0.365	S	S	.	.	H	α-helix	trans	-67.9	-31.2	175.1	-68.3	166.3	-172.4	179.3	0	111.5	T278 E279 E280 T286 L313	T278-K282 WeakPolarHBondContact O-CG 3.36Å; E279-K282 WeakPolarHBondContact O-CB 3.49Å; E279-K282 PolarHBondContact O-N 3.46Å; E280-K282 VanDerWaalsContact C-N 3.29Å; E280-K282 PolarHBondContact O-N 3.02Å; K282-T286 WeakPolarHBondContact O-CB 3.24Å; K282-T286 PolarHBondContact O-N 3.13Å; K282-T286 PolarHBondContact O-OG1 2.82Å; K282-L313 HydrophobicContact CD-CD1 4.34Å
283	I	82	Confident	78.1	Confident	17 Å²	17	80.3 Å²	80.3	9%	0.087	40%	0.396	C	S	.	.	H	α-helix	trans	-63	-50.6	176.3	-49.5	172.7	0	0	0	109.5	L273 E279 E280 S281 H285 T286 I287 P338 G339	L273-I283 HydrophobicContact CB-CD1 4.38Å; L273-I283 HydrophobicContact CD2-CD1 4.01Å; L273-I283 WeakPolarHBondContact O-CD1 3.38Å; E279-I283 PolarHBondContact O-N 3.07Å; E280-I283 VanDerWaalsContact O-CB 3.3Å; E280-I283 WeakPolarHBondContact O-CB 3.26Å; E280-I283 PolarHBondContact O-N 2.96Å; E280-I283 VanDerWaalsContact O-N 3.11Å; S281-I283 VanDerWaalsContact C-N 3.29Å; S281-I283 PolarHBondContact O-N 3.22Å; I283-H285 PolarHBondContact O-N 2.84Å; I283-T286 WeakPolarHBondContact O-CB 3.35Å; I283-T286 PolarHBondContact O-N 3Å; I283-T286 VanDerWaalsContact O-N 3.14Å; I283-I287 HydrophobicContact CG2-CD1 3.88Å; I283-I287 HydrophobicContact CG2-CG1 4.45Å; I283-I287 WeakPolarHBondContact O-CG1 3.33Å; I283-I287 PolarHBondContact O-N 3.08Å; I283-P338 HydrophobicContact CD1-CB 4.03Å; I283-P338 HydrophobicContact CG1-CB 4.05Å; I283-G339 VanDerWaalsContact CD1-N 3.27Å
284	Q	75	Confident	76.1	Confident	99 Å²	99	88.6 Å²	88.6	46%	0.463	43%	0.431	S	S	.	.	H	α-helix	trans	-59.6	-47.1	179.4	-175	59.3	45.3	0	0	111.6	E280 S281 T286 I287 D288	E280-Q284 PolarHBondContact O-N 2.8Å; S281-Q284 PolarHBondContact O-N 3.42Å; Q284-T286 VanDerWaalsContact C-N 3.28Å; Q284-T286 PolarHBondContact O-N 3.03Å; Q284-I287 PolarHBondContact O-N 3.31Å; Q284-D288 VanDerWaalsContact NE2-CG 3.31Å; Q284-D288 PolarHBondContact NE2-OD1 3.2Å; Q284-D288 PolarHBondContact NE2-OD2 3.02Å; Q284-D288 PolarHBondContact O-N 3.19Å
285	H	72.8	Confident	74.2	Confident	122 Å²	122	97.2 Å²	97.2	57%	0.565	47%	0.471	S	S	*	.	H	α-helix	trans	-60.1	-37.2	176.5	-172.3	-121.1	0	0	0	112.5	S281 I283 Q289	S281-H285 PolarHBondContact O-N 2.69Å; I283-H285 PolarHBondContact O-N 2.84Å; H285-Q289 PolarHBondContact CE1-NE2 2.93Å; H285-Q289 WeakPolarHBondContact O-CG 3.39Å; H285-Q289 PolarHBondContact O-N 2.85Å
286	T	74.8	Confident	72.3	Confident	70 Å²	70	102 Å²	102	43%	0.429	49%	0.492	S	S	.	.	H	α-helix	trans	-69.4	-42	176	-57.4	0	0	0	0	111.9	K282 I283 Q284 D288 Q289 Q290	K282-T286 WeakPolarHBondContact O-CB 3.24Å; K282-T286 PolarHBondContact O-N 3.13Å; K282-T286 PolarHBondContact O-OG1 2.82Å; I283-T286 WeakPolarHBondContact O-CB 3.35Å; I283-T286 PolarHBondContact O-N 3Å; I283-T286 VanDerWaalsContact O-N 3.14Å; Q284-T286 VanDerWaalsContact C-N 3.28Å; Q284-T286 PolarHBondContact O-N 3.03Å; T286-D288 VanDerWaalsContact C-N 3.35Å; T286-D288 PolarHBondContact O-N 2.84Å; T286-Q289 PolarHBondContact O-N 2.99Å; T286-Q290 WeakPolarHBondContact O-CG 3.37Å; T286-Q290 PolarHBondContact O-N 3.18Å
287	I	74.8	Confident	70.2	Confident	66 Å²	66	109.6 Å²	109.6	34%	0.338	52%	0.52	S	S	.	.	H	α-helix	trans	-60.7	-43.6	175.3	-73	169.6	0	0	0	110.9	I283 Q284 Q290 K291	I283-I287 HydrophobicContact CG2-CD1 3.88Å; I283-I287 HydrophobicContact CG2-CG1 4.45Å; I283-I287 WeakPolarHBondContact O-CG1 3.33Å; I283-I287 PolarHBondContact O-N 3.08Å; Q284-I287 PolarHBondContact O-N 3.31Å; I287-Q290 PolarHBondContact O-N 2.67Å; I287-K291 WeakPolarHBondContact O-CG 3.4Å; I287-K291 PolarHBondContact O-N 2.94Å
288	D	74	Confident	68.3	Low	55 Å²	55	108.9 Å²	108.9	29%	0.294	53%	0.53	S	S	.	.	H	α-helix	trans	-73.8	-34.6	-179.1	-66.1	-31.1	0	0	0	112.2	Q284 T286 Q290 K291 N292	Q284-D288 VanDerWaalsContact NE2-CG 3.31Å; Q284-D288 PolarHBondContact NE2-OD1 3.2Å; Q284-D288 PolarHBondContact NE2-OD2 3.02Å; Q284-D288 PolarHBondContact O-N 3.19Å; T286-D288 VanDerWaalsContact C-N 3.35Å; T286-D288 PolarHBondContact O-N 2.84Å; D288-Q290 VanDerWaalsContact C-N 3.31Å; D288-Q290 PolarHBondContact O-N 3.03Å; D288-K291 PolarHBondContact O-N 3.16Å; D288-K291 IonicContact OD1-NZ 3.86Å; D288-K291 PolarHBondContact OD1-NZ 2.67Å; D288-N292 VanDerWaalsContact O-CG 3.27Å; D288-N292 PolarHBondContact O-N 3.34Å; D288-N292 PolarHBondContact O-OD1 2.86Å
289	Q	67.4	Low	66.5	Low	79 Å²	79	110.3 Å²	110.3	37%	0.369	54%	0.544	S	S	.	.	H	α-helix	trans	-60.3	-38.6	166.8	-78	-166.7	30.9	0	0	112.8	H285 T286 K291 N292 K293	H285-Q289 PolarHBondContact CE1-NE2 2.93Å; H285-Q289 WeakPolarHBondContact O-CG 3.39Å; H285-Q289 PolarHBondContact O-N 2.85Å; T286-Q289 PolarHBondContact O-N 2.99Å; Q289-K291 VanDerWaalsContact C-N 3.35Å; Q289-N292 PolarHBondContact O-N 3.03Å; Q289-K293 VanDerWaalsContact O-CB 3.31Å; Q289-K293 WeakPolarHBondContact O-CB 3.15Å; Q289-K293 WeakPolarHBondContact O-CG 3.2Å; Q289-K293 PolarHBondContact O-N 3.11Å; Q289-K293 VanDerWaalsContact OE1-NZ 3.13Å
290	Q	64.8	Low	64.3	Low	137 Å²	137	118 Å²	118	64%	0.64	58%	0.582	S	S	*	*	H	α-helix	trans	-70.4	-28.3	177.7	-74	-177.8	22.2	0	0	113.2	T286 I287 D288	T286-Q290 WeakPolarHBondContact O-CG 3.37Å; T286-Q290 PolarHBondContact O-N 3.18Å; I287-Q290 PolarHBondContact O-N 2.67Å; D288-Q290 VanDerWaalsContact C-N 3.31Å; D288-Q290 PolarHBondContact O-N 3.03Å
291	K	67.5	Low	62.1	Low	118 Å²	118	122.1 Å²	122.1	51%	0.513	61%	0.606	S	S	.	*	H	α-helix	trans	-67.7	-50.8	169.3	-67.6	169.2	-166.9	158.2	0	110.6	I287 D288 Q289 K294	I287-K291 WeakPolarHBondContact O-CG 3.4Å; I287-K291 PolarHBondContact O-N 2.94Å; D288-K291 PolarHBondContact O-N 3.16Å; D288-K291 IonicContact OD1-NZ 3.86Å; D288-K291 PolarHBondContact OD1-NZ 2.67Å; Q289-K291 VanDerWaalsContact C-N 3.35Å; K291-K294 WeakPolarHBondContact O-CB 3.29Å; K291-K294 PolarHBondContact O-N 3.19Å
292	N	64.1	Low	60.2	Low	121 Å²	121	126 Å²	126	65%	0.647	62%	0.62	S	S	*	*	H	α-helix	trans	-69.7	-36.6	-172.8	-62.9	-1.4	0	0	0	112.4	D288 Q289 K294 E295	D288-N292 VanDerWaalsContact O-CG 3.27Å; D288-N292 PolarHBondContact O-N 3.34Å; D288-N292 PolarHBondContact O-OD1 2.86Å; Q289-N292 PolarHBondContact O-N 3.03Å; N292-K294 PolarHBondContact O-N 2.99Å; N292-E295 PolarHBondContact O-N 2.8Å
293	K	59.1	Low	58.1	Low	149 Å²	149	126.5 Å²	126.5	65%	0.648	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	7.7	176	-75.8	174.2	174.6	164.1	0	114.9	Q289	Q289-K293 VanDerWaalsContact O-CB 3.31Å; Q289-K293 WeakPolarHBondContact O-CB 3.15Å; Q289-K293 WeakPolarHBondContact O-CG 3.2Å; Q289-K293 PolarHBondContact O-N 3.11Å; Q289-K293 VanDerWaalsContact OE1-NZ 3.13Å
294	K	51	Low	56.1	Low	187 Å²	187	130.7 Å²	130.7	81%	0.813	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-9.8	176.2	-129.2	171.3	-171.4	171.9	0	114.3	K291 N292	K291-K294 WeakPolarHBondContact O-CB 3.29Å; K291-K294 PolarHBondContact O-N 3.19Å; N292-K294 PolarHBondContact O-N 2.99Å
295	E	52.9	Low	54.3	Low	182 Å²	182	133 Å²	133	85%	0.85	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	-23.3	-177.5	-60.2	-169.1	149	0	0	113.4	N292	N292-E295 PolarHBondContact O-N 2.8Å
296	E	48.4	Very low	53.1	Low	178 Å²	178	132.3 Å²	132.3	83%	0.832	68%	0.675	S	S	*	*			trans	-103.2	115.3	174.8	-67.5	-170.7	140.1	0	0	112.8
297	K	42.5	Very low	51.7	Low	193 Å²	193	135.2 Å²	135.2	84%	0.839	69%	0.688	S	S	*	*			trans	-112.5	147.3	157.7	-75.1	-175	-178.4	-178.7	0	108.8
298	N	44.6	Very low	50.3	Low	162 Å²	162	138.9 Å²	138.9	87%	0.866	71%	0.708	S	S	*	*			trans	82.2	84.2	176.1	-45.7	-19.5	0	0	0	115.8
299	S	46	Very low	49.1	Very low	128 Å²	128	140.7 Å²	140.7	90%	0.895	72%	0.722	S	S	*	*				-150.8	168	129	-159.6	0	0	0	0	110.3
300	M	40.6	Very low	48.2	Very low	174 Å²	174	141.1 Å²	141.1	86%	0.857	73%	0.726	S	S	*	*			trans	-94.7	152.7	-161.6	-64.4	168.6	82.4	0	0	114.2
301	N	38.1	Very low	47.5	Very low	144 Å²	144	141.8 Å²	141.8	77%	0.77	73%	0.729	S	S	*	*			trans	-21.8	136.1	164.1	-45.3	-17.5	0	0	0	116.3
302	N	42	Very low	47.1	Very low	158 Å²	158	141 Å²	141	85%	0.845	74%	0.739	S	S	*	*				-170	164.1	124.4	-104.1	-21.4	0	0	0	113.9
303	T	37.7	Very low	47.7	Very low	118 Å²	118	137.1 Å²	137.1	72%	0.724	72%	0.718	S	S	*	*			trans	80.3	97.6	154.8	-53.5	0	0	0	0	119.9
304	T	40.7	Very low	49.1	Very low	104 Å²	104	131.7 Å²	131.7	64%	0.638	70%	0.699	S	S	*	*			trans	59.5	116.2	142.5	60.1	0	0	0	0	122.9
305	N	37.1	Very low	51.1	Low	148 Å²	148	124.7 Å²	124.7	79%	0.791	67%	0.667	S	S	*	*				30.1	97.9	124.6	-57.2	9.7	0	0	0	117.7
306	N	46.4	Very low	53.1	Low	107 Å²	107	118.8 Å²	118.8	57%	0.572	64%	0.641	S	S	*	*			trans	-144.7	37.7	164.5	-90.2	-72.6	0	0	0	111.2	N310	N306-N310 PolarHBondContact O-ND2 3.38Å
307	N	45.4	Very low	55.4	Low	132 Å²	132	110.3 Å²	110.3	71%	0.706	60%	0.601	S	S	*	*			trans	-83	-39.1	-174.7	-72.1	-4.3	0	0	0	112.6	T309 N310	N307-T309 VanDerWaalsContact C-N 3.35Å; N307-T309 PolarHBondContact O-N 3.48Å; N307-N310 PolarHBondContact O-N 3.34Å
308	D	46.6	Very low	58	Low	142 Å²	142	102 Å²	102	76%	0.759	57%	0.567	S	S	*	*	H	α-helix	trans	-67.7	-33.3	-170.7	-47.8	-53.8	0	0	0	112.8	N310 Q311	D308-N310 VanDerWaalsContact C-N 3.29Å; D308-N310 PolarHBondContact O-N 2.99Å; D308-Q311 PolarHBondContact O-N 2.88Å
309	T	48	Very low	60.5	Low	94 Å²	94	94.3 Å²	94.3	58%	0.577	53%	0.526	S	S	*	.	H	α-helix	trans	-70.4	-20.3	178.5	43.3	0	0	0	0	114	N307	N307-T309 VanDerWaalsContact C-N 3.35Å; N307-T309 PolarHBondContact O-N 3.48Å
310	N	49	Very low	62.8	Low	87 Å²	87	89.7 Å²	89.7	47%	0.465	49%	0.491	S	S	.	.	H	α-helix	trans	-83.9	-26	179.7	-73.1	-58.8	0	0	0	112.9	N306 N307 D308 S312 Q337	N306-N310 PolarHBondContact O-ND2 3.38Å; N307-N310 PolarHBondContact O-N 3.34Å; D308-N310 VanDerWaalsContact C-N 3.29Å; D308-N310 PolarHBondContact O-N 2.99Å; N310-S312 PolarHBondContact O-N 2.82Å; N310-Q337 PolarHBondContact O-NE2 3.18Å
311	Q	50.4	Low	65.4	Low	152 Å²	152	81.4 Å²	81.4	71%	0.71	45%	0.45	S	S	*	.	H	α-helix	trans	-72.7	-20.2	177.5	-157.4	163.1	24.2	0	0	112.5	D308 L313 S314	D308-Q311 PolarHBondContact O-N 2.88Å; Q311-L313 PolarHBondContact O-N 2.86Å; Q311-S314 PolarHBondContact O-OG 2.69Å
312	S	58.6	Low	68	Low	101 Å²	101	76.6 Å²	76.6	71%	0.706	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-4.7	178.6	-172.8	0	0	0	0	115.5	N310	N310-S312 PolarHBondContact O-N 2.82Å
313	L	76.7	Confident	70.1	Confident	39 Å²	39	69.4 Å²	69.4	20%	0.204	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-3.1	-174.4	-61.3	178.6	0	0	0	114.5	E279 K282 Q311 P338	E279-L313 HydrophobicContact CG-CD2 4.47Å; K282-L313 HydrophobicContact CD-CD1 4.34Å; Q311-L313 PolarHBondContact O-N 2.86Å; L313-P338 WeakPolarHBondContact O-CD 3.41Å
314	S	88.6	Confident	72.2	Confident	36 Å²	36	67.6 Å²	67.6	25%	0.252	37%	0.371	S	S	.	.			trans	-80	119.1	176.7	59.5	0	0	0	0	111.4	Q311 L336	Q311-S314 PolarHBondContact O-OG 2.69Å; S314-L336 CarbonylContact C-O 3.59Å; S314-L336 VanDerWaalsContact CA-O 3.32Å; S314-L336 WeakPolarHBondContact CA-O 3.34Å
315	R	92.4	Very high	73.7	Confident	39 Å²	39	65.2 Å²	65.2	15%	0.147	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	151	176.4	-69.1	-164.3	-173.7	83.9	3	112.3	Y272 E279 V317 L335 L336 V360 D361	Y272-R315 WeakPolarHBondContact OH-CD 3.21Å; Y272-R315 PolarHBondContact OH-NH1 2.78Å; E279-R315 VanDerWaalsContact CD-NH1 3.33Å; E279-R315 IonicContact OE1-CZ 3.63Å; E279-R315 IonicContact OE1-NH1 3.64Å; E279-R315 PolarHBondContact OE1-NH1 2.88Å; E279-R315 IonicContact OE1-NH2 3.61Å; E279-R315 PolarHBondContact OE1-NH2 3.21Å; E279-R315 IonicContact OE2-CZ 2.7Å; E279-R315 IonicContact OE2-NH1 3.56Å; E279-R315 PolarHBondContact OE2-NH1 3.42Å; E279-R315 IonicContact OE2-NH2 3.91Å; R315-V317 PolarHBondContact O-N 2.8Å; R315-V317 VanDerWaalsContact O-N 3.15Å; R315-L335 CarbonylContact O-C 3.56Å; R315-L335 WeakPolarHBondContact O-CA 3.45Å; R315-L336 PolarHBondContact N-O 3.47Å; R315-L336 PolarHBondContact O-N 2.93Å; R315-V360 HydrophobicContact CB-CG1 3.92Å; R315-V360 HydrophobicContact CG-CG1 4.37Å; R315-D361 WeakPolarHBondContact CA-OD1 3.5Å; R315-D361 WeakPolarHBondContact CB-OD1 3.39Å; R315-D361 WeakPolarHBondContact CD-OD2 3.15Å; R315-D361 VanDerWaalsContact CG-OD2 3.27Å; R315-D361 WeakPolarHBondContact CG-OD2 3.14Å; R315-D361 IonicContact NE-OD2 2.7Å
316	L	95.2	Very high	75.6	Confident	58 Å²	58	60.2 Å²	60.2	30%	0.304	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	97.1	177.5	179.5	59.7	0	0	0	109.8	K333 L335 D361	L316-K333 HydrophobicContact CD1-CG 4Å; L316-L335 HydrophobicContact CB-CD2 4.05Å; L316-D361 PolarHBondContact N-OD1 2.73Å; L316-D361 PolarHBondContact O-N 2.93Å
317	V	96.5	Very high	77.3	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.8	173.6	179.4	0	0	0	0	109.3	R315 V319 F332 K333 G334 L336 F342 I358 Y359 V360 F389	R315-V317 PolarHBondContact O-N 2.8Å; R315-V317 VanDerWaalsContact O-N 3.15Å; V317-V319 HydrophobicContact CG1-CG2 4.35Å; V317-F332 HydrophobicContact CB-CE1 4.29Å; V317-F332 HydrophobicContact CG1-CD1 4.48Å; V317-F332 HydrophobicContact CG1-CE1 4.48Å; V317-K333 WeakPolarHBondContact O-CA 3.36Å; V317-G334 PolarHBondContact N-O 2.96Å; V317-G334 PolarHBondContact O-N 2.84Å; V317-L336 HydrophobicContact CB-CD1 3.87Å; V317-L336 HydrophobicContact CB-CG 4.31Å; V317-L336 HydrophobicContact CG1-CD1 4.19Å; V317-L336 HydrophobicContact CG2-CB 4.13Å; V317-L336 HydrophobicContact CG2-CD1 3.92Å; V317-L336 HydrophobicContact CG2-CG 4.28Å; V317-F342 HydrophobicContact CG1-CZ 4.41Å; V317-I358 HydrophobicContact CG1-CG2 4.02Å; V317-Y359 WeakPolarHBondContact CA-O 3.36Å; V317-V360 HydrophobicContact CG2-CG2 4.44Å; V317-F389 HydrophobicContact CG1-CE1 3.8Å; V317-F389 HydrophobicContact CG1-CZ 3.75Å; V317-F389 HydrophobicContact CG2-CE1 4.2Å; V317-F389 HydrophobicContact CG2-CZ 3.95Å
318	T	97	Very high	79.4	Confident	20 Å²	20	59.4 Å²	59.4	12%	0.123	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.4	172.7	-53.8	0	0	0	0	109.1	I320 T330 F332 K333 Y359	T318-I320 HydrophobicContact CG2-CG2 4.28Å; T318-T330 HydrophobicContact CG2-CG2 4.05Å; T318-F332 CarbonylContact C-O 3.5Å; T318-F332 WeakPolarHBondContact CA-O 3.16Å; T318-K333 HydrophobicContact CG2-CB 4.27Å; T318-K333 HydrophobicContact CG2-CD 4.27Å; T318-K333 HydrophobicContact CG2-CG 4.32Å; T318-Y359 PolarHBondContact N-O 2.83Å; T318-Y359 PolarHBondContact O-N 2.83Å
319	V	96.8	Very high	81.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.5	176.1	-177.1	0	0	0	0	108.8	V317 L331 F332 F342 I344 L356 I358	V317-V319 HydrophobicContact CG1-CG2 4.35Å; V319-L331 PolarHBondContact O-N 3.22Å; V319-F332 HydrophobicContact CB-CB 4.24Å; V319-F332 HydrophobicContact CG2-CB 4.37Å; V319-F332 PolarHBondContact N-O 2.9Å; V319-F332 PolarHBondContact O-N 3.06Å; V319-F342 HydrophobicContact CG2-CE2 3.9Å; V319-F342 HydrophobicContact CG2-CZ 4.25Å; V319-I344 HydrophobicContact CG1-CD1 4.21Å; V319-L356 HydrophobicContact CG1-CD1 3.8Å; V319-L356 HydrophobicContact CG1-CD2 3.94Å; V319-L356 HydrophobicContact CG1-CG 3.76Å; V319-I358 HydrophobicContact CG1-CG1 4.43Å; V319-I358 HydrophobicContact CG2-CG1 4.19Å; V319-I358 HydrophobicContact CG2-CG2 4.15Å
320	I	95.3	Very high	83.8	Confident	30 Å²	30	55 Å²	55	15%	0.154	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	154.4	173.8	71.1	174.5	0	0	0	110.7	T318 T328 H329 L356 T357 Y359	T318-I320 HydrophobicContact CG2-CG2 4.28Å; I320-T328 HydrophobicContact CD1-CG2 4.5Å; I320-H329 CarbonylContact C-O 3.51Å; I320-H329 VanDerWaalsContact CA-O 3.26Å; I320-H329 WeakPolarHBondContact CA-O 3.37Å; I320-L356 CarbonylContact O-C 3.53Å; I320-L356 WeakPolarHBondContact O-CA 3.37Å; I320-T357 PolarHBondContact N-O 3.36Å; I320-T357 PolarHBondContact O-N 3.02Å; I320-Y359 HydrophobicContact CD1-CE2 3.72Å; I320-Y359 HydrophobicContact CG1-CE2 3.96Å
321	Q	94.7	Very high	85.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.6	176.7	-175.1	-179.3	36.5	0	0	110.7	H329 L331 S346 F354 S355	Q321-H329 PolarHBondContact N-O 2.88Å; Q321-H329 PolarHBondContact O-N 3.44Å; Q321-L331 HydrophobicContact CB-CD1 3.74Å; Q321-L331 HydrophobicContact CB-CD2 4.15Å; Q321-L331 HydrophobicContact CB-CG 3.91Å; Q321-L331 HydrophobicContact CG-CD1 4.46Å; Q321-S346 PolarHBondContact NE2-OG 3.4Å; Q321-F354 HydrophobicContact CG-CB 4.43Å; Q321-F354 HydrophobicContact CG-CD2 3.92Å; Q321-S355 CarbonylContact C-O 3.57Å; Q321-S355 VanDerWaalsContact CA-O 3.29Å; Q321-S355 WeakPolarHBondContact CA-O 3.37Å
322	Q	93.3	Very high	88.1	Confident	44 Å²	44	47.3 Å²	47.3	21%	0.206	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	109.6	162.4	-64.8	173.8	-82.5	0	0	106.9	G325 T328 F354 S355	Q322-G325 PolarHBondContact NE2-O 2.97Å; Q322-G325 VanDerWaalsContact NE2-O 3.08Å; Q322-T328 HydrophobicContact CG-CG2 3.62Å; Q322-F354 WeakPolarHBondContact O-CA 3.36Å; Q322-F354 WeakPolarHBondContact O-CB 3.15Å; Q322-S355 PolarHBondContact N-O 3.07Å; Q322-S355 PolarHBondContact O-N 2.99Å; Q322-S355 VanDerWaalsContact O-N 3.09Å
323	P	87	Confident	89.9	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.039	28%	0.281	C	S	.	.	S	Bend	trans	-84.9	-16	-167.9	34.8	-36.4	0	0	0	114.1	N327 K347 V349	P323-N327 WeakPolarHBondContact CD-O 3.38Å; P323-K347 WeakPolarHBondContact CB-O 2.72Å; P323-V349 HydrophobicContact CB-CG2 4.25Å
324	N	80.6	Confident	90.8	Very high	80 Å²	80	48.3 Å²	48.3	43%	0.428	28%	0.28	S	S	.	.	S	Bend	trans	-157.4	39.3	-179.1	65.4	-21.9	0	0	0	111.7	G326 V349 F352	N324-G326 PolarHBondContact O-N 3.36Å; N324-V349 HydrophobicContact CB-CB 4.39Å; N324-V349 HydrophobicContact CB-CG2 3.92Å; N324-F352 HydrophobicContact CB-CB 4.2Å; N324-F352 HydrophobicContact CB-CD1 4.24Å; N324-F352 HydrophobicContact CB-CG 4.12Å
325	G	72.3	Confident	91.1	Very high	55 Å²	55	52.2 Å²	52.2	57%	0.567	30%	0.298	S	S	*	.	S	Bend	trans	78.5	-36.3	-178.3	0	0	0	0	0	115.7	Q322	Q322-G325 PolarHBondContact NE2-O 2.97Å; Q322-G325 VanDerWaalsContact NE2-O 3.08Å
326	G	77	Confident	91.2	Very high	43 Å²	43	51 Å²	51	44%	0.443	29%	0.294	S	S	.	.	S	Bend	trans	-76	-129.2	179.2	0	0	0	0	0	115.1	N324 T328	N324-G326 PolarHBondContact O-N 3.36Å; G326-T328 PolarHBondContact O-N 3.42Å
327	N	82.6	Confident	91.1	Very high	131 Å²	131	51.7 Å²	51.7	70%	0.701	30%	0.296	S	S	*	.	S	Bend	trans	-48	129	-169.1	-76.3	-31.4	0	0	0	114.5	P323	P323-N327 WeakPolarHBondContact CD-O 3.38Å
328	T	90.1	Very high	91	Very high	90 Å²	90	53 Å²	53	55%	0.552	30%	0.304	S	S	*	.			trans	-76.8	142.2	172.9	51.1	0	0	0	0	111.3	I320 Q322 G326	I320-T328 HydrophobicContact CD1-CG2 4.5Å; Q322-T328 HydrophobicContact CG-CG2 3.62Å; G326-T328 PolarHBondContact O-N 3.42Å
329	H	90.5	Very high	90.7	Very high	60 Å²	60	53.2 Å²	53.2	28%	0.278	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	117.8	177	-67.6	-27.3	0	0	0	110.9	I320 Q321 L331 K347	I320-H329 CarbonylContact C-O 3.51Å; I320-H329 VanDerWaalsContact CA-O 3.26Å; I320-H329 WeakPolarHBondContact CA-O 3.37Å; Q321-H329 PolarHBondContact N-O 2.88Å; Q321-H329 PolarHBondContact O-N 3.44Å; H329-L331 HydrophobicContact CB-CD2 4.27Å; H329-L331 PolarHBondContact O-N 3.38Å; H329-K347 HydrophobicContact CB-CD 3.84Å; H329-K347 WeakPolarHBondContact CD2-CD 3.48Å
330	T	94.6	Very high	90.6	Very high	84 Å²	84	56.3 Å²	56.3	52%	0.515	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	118.7	165	-52.7	0	0	0	0	109.5	T318 K333	T318-T330 HydrophobicContact CG2-CG2 4.05Å; T330-K333 HydrophobicContact CG2-CB 4.22Å
331	L	94	Very high	90.6	Very high	31 Å²	31	58.4 Å²	58.4	16%	0.162	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-31.1	176.7	-55	-170.9	0	0	0	112	V319 Q321 H329 I344 K347 L356	V319-L331 PolarHBondContact O-N 3.22Å; Q321-L331 HydrophobicContact CB-CD1 3.74Å; Q321-L331 HydrophobicContact CB-CD2 4.15Å; Q321-L331 HydrophobicContact CB-CG 3.91Å; Q321-L331 HydrophobicContact CG-CD1 4.46Å; H329-L331 HydrophobicContact CB-CD2 4.27Å; H329-L331 PolarHBondContact O-N 3.38Å; L331-I344 HydrophobicContact CB-CB 4.18Å; L331-I344 HydrophobicContact CB-CG2 4.44Å; L331-I344 HydrophobicContact CD1-CB 4.36Å; L331-I344 HydrophobicContact CD1-CD1 4.09Å; L331-K347 HydrophobicContact CD2-CB 4.46Å; L331-K347 HydrophobicContact CD2-CD 3.95Å; L331-K347 HydrophobicContact CD2-CG 3.9Å; L331-L356 HydrophobicContact CD1-CD1 4.35Å
332	F	96.8	Very high	90.7	Very high	46 Å²	46	58.9 Å²	58.9	20%	0.202	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	143.4	179.2	178	-90.6	0	0	0	110.4	V317 T318 V319 L336 F342 I344	V317-F332 HydrophobicContact CB-CE1 4.29Å; V317-F332 HydrophobicContact CG1-CD1 4.48Å; V317-F332 HydrophobicContact CG1-CE1 4.48Å; T318-F332 CarbonylContact C-O 3.5Å; T318-F332 WeakPolarHBondContact CA-O 3.16Å; V319-F332 HydrophobicContact CB-CB 4.24Å; V319-F332 HydrophobicContact CG2-CB 4.37Å; V319-F332 PolarHBondContact N-O 2.9Å; V319-F332 PolarHBondContact O-N 3.06Å; F332-L336 HydrophobicContact CE1-CD1 3.89Å; F332-L336 HydrophobicContact CE1-CD2 4.42Å; F332-L336 HydrophobicContact CE1-CG 4.08Å; F332-L336 HydrophobicContact CZ-CD1 4.11Å; F332-L336 HydrophobicContact CZ-CD2 3.88Å; F332-L336 HydrophobicContact CZ-CG 4.05Å; F332-F342 HydrophobicContact CD1-CD2 4.04Å; F332-F342 HydrophobicContact CD1-CE2 4.18Å; F332-F342 HydrophobicContact CD2-CD2 4.02Å; F332-F342 HydrophobicContact CE1-CD2 4.25Å; F332-F342 HydrophobicContact CE2-CB 4.08Å; F332-F342 HydrophobicContact CE2-CD2 4.23Å; F332-F342 HydrophobicContact CE2-CG 4.49Å; F332-F342 AromaticContact CG-CD2 3.93Å; F332-F342 HydrophobicContact CG-CD2 3.93Å; F332-F342 HydrophobicContact CG-CE2 4.28Å; F332-F342 HydrophobicContact CZ-CB 4.25Å; F332-F342 HydrophobicContact CZ-CD2 4.35Å; F332-F342 HydrophobicContact CZ-CG 4.45Å; F332-I344 HydrophobicContact CB-CG2 3.81Å
333	K	96.5	Very high	90.7	Very high	143 Å²	143	61.4 Å²	61.4	62%	0.622	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.5	118.2	167.5	-176.6	164.7	-174.9	175	0	108.6	L316 V317 T318 T330	L316-K333 HydrophobicContact CD1-CG 4Å; V317-K333 WeakPolarHBondContact O-CA 3.36Å; T318-K333 HydrophobicContact CG2-CB 4.27Å; T318-K333 HydrophobicContact CG2-CD 4.27Å; T318-K333 HydrophobicContact CG2-CG 4.32Å; T330-K333 HydrophobicContact CG2-CB 4.22Å
334	G	94.7	Very high	91.1	Very high	19 Å²	19	61.2 Å²	61.2	20%	0.196	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	161.7	-176.2	0	0	0	0	0	113.4	V317	V317-G334 PolarHBondContact N-O 2.96Å; V317-G334 PolarHBondContact O-N 2.84Å
335	L	96	Very high	91.7	Very high	117 Å²	117	62 Å²	62	61%	0.613	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	125.6	172.3	-66.9	172.5	0	0	0	109.2	R315 L316	R315-L335 CarbonylContact O-C 3.56Å; R315-L335 WeakPolarHBondContact O-CA 3.45Å; L316-L335 HydrophobicContact CB-CD2 4.05Å
336	L	95	Very high	92.7	Very high	13 Å²	13	60.1 Å²	60.1	7%	0.068	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.9	178.6	-64.6	-178.6	0	0	0	110.9	Y272 S314 R315 V317 F332 D340 F342	Y272-L336 HydrophobicContact CD1-CB 3.84Å; Y272-L336 WeakPolarHBondContact CE1-O 3.15Å; Y272-L336 HydrophobicContact CG-CB 4.45Å; S314-L336 CarbonylContact C-O 3.59Å; S314-L336 VanDerWaalsContact CA-O 3.32Å; S314-L336 WeakPolarHBondContact CA-O 3.34Å; R315-L336 PolarHBondContact N-O 3.47Å; R315-L336 PolarHBondContact O-N 2.93Å; V317-L336 HydrophobicContact CB-CD1 3.87Å; V317-L336 HydrophobicContact CB-CG 4.31Å; V317-L336 HydrophobicContact CG1-CD1 4.19Å; V317-L336 HydrophobicContact CG2-CB 4.13Å; V317-L336 HydrophobicContact CG2-CD1 3.92Å; V317-L336 HydrophobicContact CG2-CG 4.28Å; F332-L336 HydrophobicContact CE1-CD1 3.89Å; F332-L336 HydrophobicContact CE1-CD2 4.42Å; F332-L336 HydrophobicContact CE1-CG 4.08Å; F332-L336 HydrophobicContact CZ-CD1 4.11Å; F332-L336 HydrophobicContact CZ-CD2 3.88Å; F332-L336 HydrophobicContact CZ-CG 4.05Å; L336-D340 HydrophobicContact CB-CB 4.35Å; L336-D340 HydrophobicContact CD2-CB 4.02Å; L336-F342 HydrophobicContact CD1-CB 4.25Å; L336-F342 HydrophobicContact CD1-CD1 3.34Å; L336-F342 HydrophobicContact CD1-CD2 4.47Å; L336-F342 HydrophobicContact CD1-CE1 3.65Å; L336-F342 HydrophobicContact CD1-CG 3.8Å; L336-F342 HydrophobicContact CD1-CZ 4.34Å; L336-F342 HydrophobicContact CD2-CB 4.3Å
337	Q	92.3	Very high	93.3	Very high	74 Å²	74	63.2 Å²	63.2	35%	0.346	34%	0.336	S	S	.	.			trans	-92.4	153.7	170.5	-64.4	-169.2	-3.5	0	0	111.3	Y272 N310 G339 D340	Y272-Q337 WeakPolarHBondContact CD1-O 2.98Å; N310-Q337 PolarHBondContact O-NE2 3.18Å; Q337-G339 PolarHBondContact O-N 2.69Å; Q337-G339 VanDerWaalsContact O-N 3.16Å; Q337-D340 PolarHBondContact N-OD2 3.32Å; Q337-D340 VanDerWaalsContact O-CB 3.3Å; Q337-D340 WeakPolarHBondContact O-CB 3.31Å; Q337-D340 PolarHBondContact O-N 3.3Å
338	P	93.4	Very high	93.4	Very high	27 Å²	27	58.1 Å²	58.1	18%	0.175	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	119.9	172.1	-25.2	34.2	0	0	0	111.6	Y272 E279 I283 L313	Y272-P338 HydrophobicContact CE1-CG 4.46Å; E279-P338 HydrophobicContact CB-CB 4Å; E279-P338 HydrophobicContact CB-CG 3.69Å; E279-P338 HydrophobicContact CG-CG 3.88Å; I283-P338 HydrophobicContact CD1-CB 4.03Å; I283-P338 HydrophobicContact CG1-CB 4.05Å; L313-P338 WeakPolarHBondContact O-CD 3.41Å
339	G	91.3	Very high	93	Very high	25 Å²	25	56.6 Å²	56.6	26%	0.258	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.4	-16.7	-175.1	0	0	0	0	0	114	Y272 I283 Q337	Y272-G339 PolarHBondContact O-N 3.5Å; I283-G339 VanDerWaalsContact CD1-N 3.27Å; Q337-G339 PolarHBondContact O-N 2.69Å; Q337-G339 VanDerWaalsContact O-N 3.16Å
340	D	94.6	Very high	92.2	Very high	65 Å²	65	55.2 Å²	55.2	35%	0.348	29%	0.29	S	S	.	.			trans	-64.2	137.7	-179.6	-79	-21.7	0	0	0	112	M271 Y272 L336 Q337	M271-D340 WeakPolarHBondContact CA-O 3.5Å; Y272-D340 PolarHBondContact N-O 2.67Å; L336-D340 HydrophobicContact CB-CB 4.35Å; L336-D340 HydrophobicContact CD2-CB 4.02Å; Q337-D340 PolarHBondContact N-OD2 3.32Å; Q337-D340 VanDerWaalsContact O-CB 3.3Å; Q337-D340 WeakPolarHBondContact O-CB 3.31Å; Q337-D340 PolarHBondContact O-N 3.3Å
341	T	95.4	Very high	91.1	Very high	74 Å²	74	53 Å²	53	45%	0.454	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.4	174	-66.1	0	0	0	0	109.8	L270 L392	L270-T341 CarbonylContact O-C 3.59Å; L270-T341 VanDerWaalsContact O-CA 3.29Å; L270-T341 WeakPolarHBondContact O-CA 3.47Å; T341-L392 HydrophobicContact CG2-CD1 3.47Å; T341-L392 VanDerWaalsContact CG2-CD1 3.47Å
342	F	96	Very high	90.4	Very high	10 Å²	10	55.7 Å²	55.7	4%	0.044	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	167.1	178.3	69.9	-77.7	0	0	0	111.1	L270 V317 V319 F332 L336 I344 F389	L270-F342 HydrophobicContact CB-CD1 4.1Å; L270-F342 HydrophobicContact CB-CE1 3.59Å; L270-F342 HydrophobicContact CB-CE2 4.19Å; L270-F342 HydrophobicContact CB-CZ 3.65Å; L270-F342 HydrophobicContact CD1-CE2 4.17Å; L270-F342 HydrophobicContact CD1-CZ 4.31Å; L270-F342 HydrophobicContact CD2-CZ 4.19Å; L270-F342 HydrophobicContact CG-CZ 4.27Å; L270-F342 PolarHBondContact N-O 2.95Å; L270-F342 WeakPolarHBondContact O-CD1 3.39Å; L270-F342 PolarHBondContact O-N 2.97Å; V317-F342 HydrophobicContact CG1-CZ 4.41Å; V319-F342 HydrophobicContact CG2-CE2 3.9Å; V319-F342 HydrophobicContact CG2-CZ 4.25Å; F332-F342 HydrophobicContact CD1-CD2 4.04Å; F332-F342 HydrophobicContact CD1-CE2 4.18Å; F332-F342 HydrophobicContact CD2-CD2 4.02Å; F332-F342 HydrophobicContact CE1-CD2 4.25Å; F332-F342 HydrophobicContact CE2-CB 4.08Å; F332-F342 HydrophobicContact CE2-CD2 4.23Å; F332-F342 HydrophobicContact CE2-CG 4.49Å; F332-F342 AromaticContact CG-CD2 3.93Å; F332-F342 HydrophobicContact CG-CD2 3.93Å; F332-F342 HydrophobicContact CG-CE2 4.28Å; F332-F342 HydrophobicContact CZ-CB 4.25Å; F332-F342 HydrophobicContact CZ-CD2 4.35Å; F332-F342 HydrophobicContact CZ-CG 4.45Å; L336-F342 HydrophobicContact CD1-CB 4.25Å; L336-F342 HydrophobicContact CD1-CD1 3.34Å; L336-F342 HydrophobicContact CD1-CD2 4.47Å; L336-F342 HydrophobicContact CD1-CE1 3.65Å; L336-F342 HydrophobicContact CD1-CG 3.8Å; L336-F342 HydrophobicContact CD1-CZ 4.34Å; L336-F342 HydrophobicContact CD2-CB 4.3Å; F342-I344 HydrophobicContact CD2-CG2 3.96Å; F342-I344 HydrophobicContact CE2-CG2 3.81Å; F342-F389 AromaticContact CE1-CD1 3.9Å; F342-F389 HydrophobicContact CE1-CD1 3.9Å; F342-F389 AromaticContact CE1-CE1 3.92Å; F342-F389 HydrophobicContact CE1-CE1 3.92Å; F342-F389 HydrophobicContact CZ-CD1 4.07Å; F342-F389 HydrophobicContact CZ-CE1 4.06Å
343	Q	95.2	Very high	89.9	Confident	96 Å²	96	57.7 Å²	57.7	45%	0.449	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.9	-177.7	-46.9	-170.1	33.8	0	0	109.2	I267 V268 K269	I267-Q343 HydrophobicContact CG2-CB 4.23Å; V268-Q343 WeakPolarHBondContact O-CA 3.1Å; K269-Q343 HydrophobicContact CD-CG 4.32Å; K269-Q343 VanDerWaalsContact CE-OE1 3.23Å; K269-Q343 HydrophobicContact CG-CG 3.96Å
344	I	94.9	Very high	89.7	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.015	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.5	173.8	66.2	178.9	0	0	0	109	I267 V268 L270 V319 L331 F332 F342 L356	I267-I344 WeakPolarHBondContact CA-O 3.47Å; V268-I344 HydrophobicContact CB-CD1 4.27Å; V268-I344 HydrophobicContact CB-CG1 3.79Å; V268-I344 PolarHBondContact N-O 2.7Å; V268-I344 PolarHBondContact O-N 2.75Å; L270-I344 HydrophobicContact CD1-CD1 3.71Å; L270-I344 HydrophobicContact CD1-CG1 3.81Å; L270-I344 HydrophobicContact CD1-CG2 4.33Å; V319-I344 HydrophobicContact CG1-CD1 4.21Å; L331-I344 HydrophobicContact CB-CB 4.18Å; L331-I344 HydrophobicContact CB-CG2 4.44Å; L331-I344 HydrophobicContact CD1-CB 4.36Å; L331-I344 HydrophobicContact CD1-CD1 4.09Å; F332-I344 HydrophobicContact CB-CG2 3.81Å; F342-I344 HydrophobicContact CD2-CG2 3.96Å; F342-I344 HydrophobicContact CE2-CG2 3.81Å; I344-L356 HydrophobicContact CD1-CD1 3.55Å
345	I	93.4	Very high	89.6	Confident	95 Å²	95	51.2 Å²	51.2	49%	0.487	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	112.2	171.3	-56.8	177.8	0	0	0	106.8	C266 I267	C266-I345 WeakPolarHBondContact O-CA 3.33Å; I267-I345 HydrophobicContact CG1-CG1 4.45Å
346	S	91.9	Very high	89.5	Confident	16 Å²	16	46.4 Å²	46.4	11%	0.112	26%	0.256	C	S	.	.			trans	-66.8	132.8	175.8	-179.5	0	0	0	0	110	C266 Q321 R348 E373	C266-S346 PolarHBondContact O-N 3.08Å; Q321-S346 PolarHBondContact NE2-OG 3.4Å; S346-R348 PolarHBondContact OG-N 2.75Å; S346-E373 WeakPolarHBondContact CB-OE1 3.1Å; S346-E373 PolarHBondContact OG-OE1 2.9Å
347	K	89.3	Confident	89.5	Confident	108 Å²	108	46.1 Å²	46.1	47%	0.47	26%	0.255	S	S	.	.			trans	-102.2	17.9	174.5	-63.5	-177	176.9	-173.5	0	112.3	P323 H329 L331 V349	P323-K347 WeakPolarHBondContact CB-O 2.72Å; H329-K347 HydrophobicContact CB-CD 3.84Å; H329-K347 WeakPolarHBondContact CD2-CD 3.48Å; L331-K347 HydrophobicContact CD2-CB 4.46Å; L331-K347 HydrophobicContact CD2-CD 3.95Å; L331-K347 HydrophobicContact CD2-CG 3.9Å; K347-V349 PolarHBondContact O-N 3.17Å
348	R	86.5	Confident	89.7	Confident	25 Å²	25	42.6 Å²	42.6	9%	0.094	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-52.1	127.3	179.9	-169.4	-157.2	68.8	-122.4	10.6	110.8	S346 F354 E373	S346-R348 PolarHBondContact OG-N 2.75Å; R348-F354 HydrophobicContact CB-CD1 4.18Å; R348-F354 HydrophobicContact CG-CB 4.07Å; R348-F354 HydrophobicContact CG-CD1 3.58Å; R348-F354 HydrophobicContact CG-CE1 4.39Å; R348-F354 HydrophobicContact CG-CG 4.12Å; R348-E373 IonicContact CZ-OE1 2.65Å; R348-E373 IonicContact NH1-OE1 3.87Å; R348-E373 PolarHBondContact NH1-OE1 2.99Å; R348-E373 IonicContact NH1-OE2 3.66Å; R348-E373 PolarHBondContact NH1-OE2 2.96Å
349	V	81.3	Confident	89.8	Confident	58 Å²	58	44.4 Å²	44.4	35%	0.352	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-65.2	140	167.3	-173.1	0	0	0	0	108	P323 N324 K347 F352	P323-V349 HydrophobicContact CB-CG2 4.25Å; N324-V349 HydrophobicContact CB-CB 4.39Å; N324-V349 HydrophobicContact CB-CG2 3.92Å; K347-V349 PolarHBondContact O-N 3.17Å; V349-F352 HydrophobicContact CB-CB 4.44Å; V349-F352 HydrophobicContact CB-CD2 4.1Å; V349-F352 HydrophobicContact CG1-CD2 3.75Å; V349-F352 HydrophobicContact CG1-CE2 4.28Å
350	Y	73.4	Confident	90	Very high	30 Å²	30	43.8 Å²	43.8	12%	0.118	23%	0.233	C	C	.	.	S	Bend	trans	-65.2	145.2	175.4	-150.9	-70.5	0	0	0	109.6	E75 E79 F352 F398 P399 C400	E75-Y350 VanDerWaalsContact OE1-O 3.1Å; E79-Y350 WeakPolarHBondContact OE2-CD1 3.45Å; Y350-F352 VanDerWaalsContact C-N 3.29Å; Y350-F352 WeakPolarHBondContact O-CD2 3.36Å; Y350-F352 PolarHBondContact O-N 3.37Å; Y350-F398 HydrophobicContact CE2-CB 4.45Å; Y350-P399 PolarHBondContact OH-O 3.29Å; Y350-P399 VanDerWaalsContact OH-O 3.13Å; Y350-C400 WeakPolarHBondContact OH-CA 3.3Å
351	G	70.2	Confident	90	Very high	38 Å²	38	45 Å²	45	39%	0.392	24%	0.239	S	C	.	.	S	Bend	trans	90.3	-52.1	179.7	0	0	0	0	0	113	E75	E75-G351 WeakPolarHBondContact OE1-CA 3.46Å
352	F	79.5	Confident	89.8	Confident	87 Å²	87	44.3 Å²	44.3	38%	0.382	25%	0.247	S	C	.	.	S	Bend	trans	-69.1	143.2	-177.1	-65.4	-94.6	0	0	0	113.7	E75 N324 V349 Y350	E75-F352 WeakPolarHBondContact OE1-CE2 3.32Å; N324-F352 HydrophobicContact CB-CB 4.2Å; N324-F352 HydrophobicContact CB-CD1 4.24Å; N324-F352 HydrophobicContact CB-CG 4.12Å; V349-F352 HydrophobicContact CB-CB 4.44Å; V349-F352 HydrophobicContact CB-CD2 4.1Å; V349-F352 HydrophobicContact CG1-CD2 3.75Å; V349-F352 HydrophobicContact CG1-CE2 4.28Å; Y350-F352 VanDerWaalsContact C-N 3.29Å; Y350-F352 WeakPolarHBondContact O-CD2 3.36Å; Y350-F352 PolarHBondContact O-N 3.37Å
353	P	87.7	Confident	89.7	Confident	88 Å²	88	48.8 Å²	48.8	57%	0.571	28%	0.275	S	S	*	.			trans	-70.1	152.1	164.1	32.3	-34.1	0	0	0	110.4
354	F	91.2	Very high	89.6	Confident	13 Å²	13	49.5 Å²	49.5	6%	0.057	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	155.9	176	72.9	-84	0	0	0	112.3	Q321 Q322 R348 L356 S369 A370 E373	Q321-F354 HydrophobicContact CG-CB 4.43Å; Q321-F354 HydrophobicContact CG-CD2 3.92Å; Q322-F354 WeakPolarHBondContact O-CA 3.36Å; Q322-F354 WeakPolarHBondContact O-CB 3.15Å; R348-F354 HydrophobicContact CB-CD1 4.18Å; R348-F354 HydrophobicContact CG-CB 4.07Å; R348-F354 HydrophobicContact CG-CD1 3.58Å; R348-F354 HydrophobicContact CG-CE1 4.39Å; R348-F354 HydrophobicContact CG-CG 4.12Å; F354-L356 HydrophobicContact CD2-CB 4.09Å; F354-L356 HydrophobicContact CE2-CB 3.81Å; F354-S369 WeakPolarHBondContact O-CA 3.41Å; F354-A370 VanDerWaalsContact CD1-O 3.24Å; F354-A370 WeakPolarHBondContact CD1-O 3.33Å; F354-A370 HydrophobicContact CE1-CB 3.97Å; F354-A370 HydrophobicContact CZ-CB 4.06Å; F354-A370 PolarHBondContact N-O 2.69Å; F354-A370 PolarHBondContact O-N 2.96Å; F354-E373 HydrophobicContact CE1-CG 4.19Å; F354-E373 HydrophobicContact CZ-CG 3.96Å
355	S	93.2	Very high	89.5	Confident	14 Å²	14	51.5 Å²	51.5	10%	0.098	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	133.6	165.1	165.5	0	0	0	0	109	Q321 Q322 R367 V368	Q321-S355 CarbonylContact C-O 3.57Å; Q321-S355 VanDerWaalsContact CA-O 3.29Å; Q321-S355 WeakPolarHBondContact CA-O 3.37Å; Q322-S355 PolarHBondContact N-O 3.07Å; Q322-S355 PolarHBondContact O-N 2.99Å; Q322-S355 VanDerWaalsContact O-N 3.09Å; S355-R367 PolarHBondContact OG-NE 2.84Å; S355-V368 CarbonylContact C-O 3.57Å; S355-V368 WeakPolarHBondContact CA-O 3.5Å
356	L	93.5	Very high	89.5	Confident	16 Å²	16	47.7 Å²	47.7	8%	0.084	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.3	168.6	174.6	152.7	0	0	0	109.2	V319 I320 L331 I344 F354 I358 R367 V368	V319-L356 HydrophobicContact CG1-CD1 3.8Å; V319-L356 HydrophobicContact CG1-CD2 3.94Å; V319-L356 HydrophobicContact CG1-CG 3.76Å; I320-L356 CarbonylContact O-C 3.53Å; I320-L356 WeakPolarHBondContact O-CA 3.37Å; L331-L356 HydrophobicContact CD1-CD1 4.35Å; I344-L356 HydrophobicContact CD1-CD1 3.55Å; F354-L356 HydrophobicContact CD2-CB 4.09Å; F354-L356 HydrophobicContact CE2-CB 3.81Å; L356-I358 HydrophobicContact CD2-CD1 4.07Å; L356-I358 HydrophobicContact CD2-CG1 3.63Å; L356-R367 CarbonylContact O-C 3.59Å; L356-R367 WeakPolarHBondContact O-CA 3.3Å; L356-V368 HydrophobicContact CB-CB 4.48Å; L356-V368 HydrophobicContact CD2-CG2 4.3Å; L356-V368 PolarHBondContact N-O 3.2Å; L356-V368 PolarHBondContact O-N 3.37Å
357	T	95.2	Very high	89.6	Confident	7 Å²	7	54 Å²	54	4%	0.043	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.8	-179.3	-47.6	0	0	0	0	109.4	I320 Y359 Q364	I320-T357 PolarHBondContact N-O 3.36Å; I320-T357 PolarHBondContact O-N 3.02Å; T357-Y359 HydrophobicContact CG2-CD2 4.19Å; T357-Y359 HydrophobicContact CG2-CE2 3.48Å; T357-Y359 VanDerWaalsContact CG2-CE2 3.48Å; T357-Q364 HydrophobicContact CG2-CG 3.66Å
358	I	96.3	Very high	89.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.2	176.3	-48.8	-177.5	0	0	0	108.7	L270 V317 V319 L356 D365 T366 F389	L270-I358 HydrophobicContact CD2-CD1 4.27Å; V317-I358 HydrophobicContact CG1-CG2 4.02Å; V319-I358 HydrophobicContact CG1-CG1 4.43Å; V319-I358 HydrophobicContact CG2-CG1 4.19Å; V319-I358 HydrophobicContact CG2-CG2 4.15Å; L356-I358 HydrophobicContact CD2-CD1 4.07Å; L356-I358 HydrophobicContact CD2-CG1 3.63Å; I358-D365 WeakPolarHBondContact O-CB 3.41Å; I358-D365 PolarHBondContact O-N 2.97Å; I358-T366 HydrophobicContact CB-CG2 4.03Å; I358-T366 HydrophobicContact CD1-CG2 3.9Å; I358-T366 HydrophobicContact CG1-CG2 4.05Å; I358-T366 PolarHBondContact N-O 3.41Å; I358-T366 PolarHBondContact O-N 2.66Å; I358-F389 HydrophobicContact CB-CE2 4.37Å; I358-F389 HydrophobicContact CD1-CB 4.31Å; I358-F389 HydrophobicContact CD1-CD1 4.45Å; I358-F389 HydrophobicContact CD1-CD2 3.96Å; I358-F389 HydrophobicContact CD1-CE2 4.48Å; I358-F389 HydrophobicContact CD1-CG 3.96Å; I358-F389 HydrophobicContact CG2-CD2 4.01Å; I358-F389 HydrophobicContact CG2-CE1 4.2Å; I358-F389 HydrophobicContact CG2-CE2 3.45Å; I358-F389 VanDerWaalsContact CG2-CE2 3.45Å; I358-F389 HydrophobicContact CG2-CZ 3.56Å
359	Y	96.6	Very high	89.9	Confident	65 Å²	65	53.5 Å²	53.5	26%	0.255	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.8	174.1	-62.1	-102	0	0	0	109.9	V317 T318 I320 T357 T363 Q364	V317-Y359 WeakPolarHBondContact CA-O 3.36Å; T318-Y359 PolarHBondContact N-O 2.83Å; T318-Y359 PolarHBondContact O-N 2.83Å; I320-Y359 HydrophobicContact CD1-CE2 3.72Å; I320-Y359 HydrophobicContact CG1-CE2 3.96Å; T357-Y359 HydrophobicContact CG2-CD2 4.19Å; T357-Y359 HydrophobicContact CG2-CE2 3.48Å; T357-Y359 VanDerWaalsContact CG2-CE2 3.48Å; Y359-T363 CarbonylContact C-O 3.57Å; Y359-T363 WeakPolarHBondContact CA-O 3.41Å; Y359-T363 WeakPolarHBondContact CB-O 3.37Å; Y359-Q364 HydrophobicContact CD1-CB 3.99Å; Y359-Q364 HydrophobicContact CE1-CB 3.76Å; Y359-Q364 HydrophobicContact CE1-CG 4.3Å
360	V	95	Very high	90.4	Very high	11 Å²	11	51.1 Å²	51.1	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.9	173.3	180	0	0	0	0	107.7	I275 R315 V317 G362 T363 D365 F389	I275-V360 HydrophobicContact CG2-CG1 3.92Å; R315-V360 HydrophobicContact CB-CG1 3.92Å; R315-V360 HydrophobicContact CG-CG1 4.37Å; V317-V360 HydrophobicContact CG2-CG2 4.44Å; V360-G362 PolarHBondContact O-N 3.05Å; V360-G362 VanDerWaalsContact O-N 3.11Å; V360-T363 PolarHBondContact N-O 3.5Å; V360-T363 WeakPolarHBondContact O-CB 3.48Å; V360-T363 PolarHBondContact O-N 3.27Å; V360-D365 HydrophobicContact CG2-CB 3.92Å; V360-F389 HydrophobicContact CG2-CE2 3.79Å; V360-F389 HydrophobicContact CG2-CZ 3.78Å
361	D	93.4	Very high	91.2	Very high	91 Å²	91	50.9 Å²	50.9	49%	0.487	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	34.8	-175.2	-63	-20.5	0	0	0	113.5	R315 L316 T363	R315-D361 WeakPolarHBondContact CA-OD1 3.5Å; R315-D361 WeakPolarHBondContact CB-OD1 3.39Å; R315-D361 WeakPolarHBondContact CD-OD2 3.15Å; R315-D361 VanDerWaalsContact CG-OD2 3.27Å; R315-D361 WeakPolarHBondContact CG-OD2 3.14Å; R315-D361 IonicContact NE-OD2 2.7Å; L316-D361 PolarHBondContact N-OD1 2.73Å; L316-D361 PolarHBondContact O-N 2.93Å; D361-T363 VanDerWaalsContact C-N 3.28Å; D361-T363 PolarHBondContact O-N 3.35Å
362	G	91.4	Very high	92.1	Very high	59 Å²	59	49.1 Å²	49.1	61%	0.608	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-11.4	-178.3	0	0	0	0	0	115.4	V360	V360-G362 PolarHBondContact O-N 3.05Å; V360-G362 VanDerWaalsContact O-N 3.11Å
363	T	93.8	Very high	92.7	Very high	105 Å²	105	45.2 Å²	45.2	64%	0.644	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	137.1	174.1	-56.2	0	0	0	0	110.1	Y359 V360 D361 D365	Y359-T363 CarbonylContact C-O 3.57Å; Y359-T363 WeakPolarHBondContact CA-O 3.41Å; Y359-T363 WeakPolarHBondContact CB-O 3.37Å; V360-T363 PolarHBondContact N-O 3.5Å; V360-T363 WeakPolarHBondContact O-CB 3.48Å; V360-T363 PolarHBondContact O-N 3.27Å; D361-T363 VanDerWaalsContact C-N 3.28Å; D361-T363 PolarHBondContact O-N 3.35Å; T363-D365 PolarHBondContact O-N 3.34Å
364	Q	94	Very high	92.8	Very high	110 Å²	110	43.1 Å²	43.1	51%	0.514	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122.1	174.7	-175.3	175	-76.4	0	0	110.2	T357 Y359	T357-Q364 HydrophobicContact CG2-CG 3.66Å; Y359-Q364 HydrophobicContact CD1-CB 3.99Å; Y359-Q364 HydrophobicContact CE1-CB 3.76Å; Y359-Q364 HydrophobicContact CE1-CG 4.3Å
365	D	93.2	Very high	92.8	Very high	45 Å²	45	46.3 Å²	46.3	24%	0.241	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-51.6	-177.3	-175.2	84.3	0	0	0	111.7	I358 V360 T363 H388 F389	I358-D365 WeakPolarHBondContact O-CB 3.41Å; I358-D365 PolarHBondContact O-N 2.97Å; V360-D365 HydrophobicContact CG2-CB 3.92Å; T363-D365 PolarHBondContact O-N 3.34Å; D365-H388 IonicContact OD1-CE1 2.81Å; D365-H388 IonicContact OD1-CG 3.67Å; D365-H388 IonicContact OD1-ND1 2.68Å; D365-H388 PolarHBondContact OD1-ND1 3.39Å; D365-H388 IonicContact OD2-ND1 3.38Å; D365-F389 HydrophobicContact CB-CE2 4.38Å; D365-F389 WeakPolarHBondContact OD2-CD2 3.27Å; D365-F389 WeakPolarHBondContact OD2-CE2 3.49Å
366	T	93.4	Very high	92.6	Very high	16 Å²	16	48.2 Å²	48.2	10%	0.098	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	143.3	-178.7	-173.2	0	0	0	0	111.2	I358 I382	I358-T366 HydrophobicContact CB-CG2 4.03Å; I358-T366 HydrophobicContact CD1-CG2 3.9Å; I358-T366 HydrophobicContact CG1-CG2 4.05Å; I358-T366 PolarHBondContact N-O 3.41Å; I358-T366 PolarHBondContact O-N 2.66Å; T366-I382 HydrophobicContact CG2-CG2 3.78Å
367	R	93.5	Very high	92.3	Very high	149 Å²	149	57.5 Å²	57.5	56%	0.562	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.4	170.5	-168.8	177	-169.4	-172.9	7.8	108.7	S355 L356	S355-R367 PolarHBondContact OG-NE 2.84Å; L356-R367 CarbonylContact O-C 3.59Å; L356-R367 WeakPolarHBondContact O-CA 3.3Å
368	V	91.1	Very high	92.1	Very high	18 Å²	18	64 Å²	64	11%	0.109	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	105	-174.1	-172.2	0	0	0	0	109	S355 L356 H376 I382	S355-V368 CarbonylContact C-O 3.57Å; S355-V368 WeakPolarHBondContact CA-O 3.5Å; L356-V368 HydrophobicContact CB-CB 4.48Å; L356-V368 HydrophobicContact CD2-CG2 4.3Å; L356-V368 PolarHBondContact N-O 3.2Å; L356-V368 PolarHBondContact O-N 3.37Å; V368-H376 WeakPolarHBondContact CG1-CE1 3.38Å; V368-H376 WeakPolarHBondContact CG1-NE2 3.5Å; V368-I382 HydrophobicContact CG2-CG2 3.33Å
369	S	91.3	Very high	91.8	Very high	104 Å²	104	66.6 Å²	66.6	73%	0.727	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.8	167.1	41	0	0	0	0	109.7	F354	F354-S369 WeakPolarHBondContact O-CA 3.41Å
370	A	91.3	Very high	91.5	Very high	7 Å²	7	65 Å²	65	6%	0.058	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	147.3	179.1	0	0	0	0	0	113.6	F354 R375	F354-A370 VanDerWaalsContact CD1-O 3.24Å; F354-A370 WeakPolarHBondContact CD1-O 3.33Å; F354-A370 HydrophobicContact CE1-CB 3.97Å; F354-A370 HydrophobicContact CZ-CB 4.06Å; F354-A370 PolarHBondContact N-O 2.69Å; F354-A370 PolarHBondContact O-N 2.96Å; A370-R375 HydrophobicContact CB-CB 4.35Å
371	C	89.7	Confident	91.4	Very high	26 Å²	26	68 Å²	68	18%	0.176	36%	0.359	C	S	.	.	S	Bend	trans	-80	-15.4	175.8	59.6	0	0	0	0	114.4	C400 C403	C371-C400 PolarHBondContact O-SG 2.92Å; C371-C400 VanDerWaalsContact O-SG 3.41Å; C371-C403 VanDerWaalsContact SG-SG 3.61Å
372	C	90.3	Very high	91.4	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-170.9	165.5	160.4	64.4	0	0	0	0	108.5	Y374 R375 C400 C403	C372-Y374 PolarHBondContact O-N 2.97Å; C372-R375 WeakPolarHBondContact O-CB 3.41Å; C372-R375 PolarHBondContact O-N 3.28Å; C372-C400 HydrophobicContact CB-CB 4.04Å; C372-C400 PolarHBondContact SG-N 2.96Å; C372-C400 PolarHBondContact SG-SG 3.44Å; C372-C403 PolarHBondContact SG-SG 3.42Å
373	E	91.7	Very high	91.2	Very high	5 Å²	5	64 Å²	64	2%	0.023	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-64.2	-30.2	-177.4	-41.3	73.9	-158.6	0	0	110.6	C266 V268 S346 R348 F354 R375 H376 Y391 V394	C266-E373 VanDerWaalsContact SG-CD 3.53Å; C266-E373 PolarHBondContact SG-OE2 2.8Å; V268-E373 HydrophobicContact CG2-CB 3.75Å; V268-E373 HydrophobicContact CG2-CG 3.66Å; S346-E373 WeakPolarHBondContact CB-OE1 3.1Å; S346-E373 PolarHBondContact OG-OE1 2.9Å; R348-E373 IonicContact CZ-OE1 2.65Å; R348-E373 IonicContact NH1-OE1 3.87Å; R348-E373 PolarHBondContact NH1-OE1 2.99Å; R348-E373 IonicContact NH1-OE2 3.66Å; R348-E373 PolarHBondContact NH1-OE2 2.96Å; F354-E373 HydrophobicContact CE1-CG 4.19Å; F354-E373 HydrophobicContact CZ-CG 3.96Å; E373-R375 PolarHBondContact O-N 3.48Å; E373-H376 PolarHBondContact O-N 3.12Å; E373-Y391 VanDerWaalsContact C-OH 3.29Å; E373-Y391 WeakPolarHBondContact CB-OH 3.36Å; E373-Y391 PolarHBondContact O-OH 3.27Å; E373-V394 HydrophobicContact CB-CG1 4.14Å
374	Y	90.3	Very high	90.9	Very high	45 Å²	45	61 Å²	61	18%	0.176	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-65.5	-0.7	173.7	-63.8	-78.7	0	0	0	116	C372 H376 V394 G396 S397 P399	C372-Y374 PolarHBondContact O-N 2.97Å; Y374-H376 VanDerWaalsContact C-N 3.33Å; Y374-V394 HydrophobicContact CD1-CB 3.9Å; Y374-V394 HydrophobicContact CD1-CG1 3.97Å; Y374-V394 HydrophobicContact CD1-CG2 4.2Å; Y374-V394 HydrophobicContact CD2-CG1 4.23Å; Y374-V394 HydrophobicContact CE1-CB 3.68Å; Y374-V394 HydrophobicContact CE1-CG1 3.69Å; Y374-V394 HydrophobicContact CE1-CG2 4.46Å; Y374-V394 HydrophobicContact CE2-CG1 3.98Å; Y374-V394 HydrophobicContact CG-CG1 4.26Å; Y374-G396 PolarHBondContact OH-O 3.08Å; Y374-S397 PolarHBondContact OH-O 2.73Å; Y374-P399 VanDerWaalsContact CD2-CA 3.46Å; Y374-P399 HydrophobicContact CD2-CB 3.72Å; Y374-P399 HydrophobicContact CE2-CB 4.34Å; Y374-P399 HydrophobicContact CG-CB 3.85Å
375	R	90.6	Very high	90.5	Very high	80 Å²	80	64.8 Å²	64.8	30%	0.302	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-65.3	-36.3	168.7	177	69	165	137.1	15.9	111.3	A370 C372 E373 C403 E451	A370-R375 HydrophobicContact CB-CB 4.35Å; C372-R375 WeakPolarHBondContact O-CB 3.41Å; C372-R375 PolarHBondContact O-N 3.28Å; E373-R375 PolarHBondContact O-N 3.48Å; R375-C403 VanDerWaalsContact CA-SG 3.54Å; R375-E451 IonicContact CZ-OE1 2.69Å; R375-E451 IonicContact CZ-OE2 2.88Å; R375-E451 IonicContact NH1-OE1 3.6Å; R375-E451 PolarHBondContact NH1-OE1 3.36Å; R375-E451 IonicContact NH1-OE2 2.66Å; R375-E451 IonicContact NH2-OE1 4Å; R375-E451 PolarHBondContact NH2-OE1 2.91Å; R375-E451 VanDerWaalsContact NH2-OE1 3.15Å; R375-E451 IonicContact NH2-OE2 2.71Å; R375-E451 PolarHBondContact NH2-OE2 3.42Å
376	H	89	Confident	90.2	Very high	53 Å²	53	68.9 Å²	68.9	25%	0.245	36%	0.357	C	S	.	.	S	Bend	trans	-80.9	143.6	-177.3	-53.9	-71.6	0	0	0	112	V368 E373 Y374 Y391	V368-H376 WeakPolarHBondContact CG1-CE1 3.38Å; V368-H376 WeakPolarHBondContact CG1-NE2 3.5Å; E373-H376 PolarHBondContact O-N 3.12Å; Y374-H376 VanDerWaalsContact C-N 3.33Å; H376-Y391 HydrophobicContact CB-CD1 3.76Å; H376-Y391 HydrophobicContact CB-CD2 4.04Å; H376-Y391 HydrophobicContact CB-CE1 3.78Å; H376-Y391 HydrophobicContact CB-CE2 4.06Å; H376-Y391 HydrophobicContact CB-CG 3.89Å; H376-Y391 AromaticContact CD2-CE2 3.93Å
377	R	87.5	Confident	90.1	Very high	212 Å²	212	68.4 Å²	68.4	80%	0.8	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-77.9	137.2	173.9	-175.1	-177.1	173.1	174.7	-1.5	109.4	G379 A380	R377-G379 PolarHBondContact O-N 3.46Å; R377-A380 HydrophobicContact CB-CB 4.39Å; R377-A380 WeakPolarHBondContact O-CB 3.37Å; R377-A380 PolarHBondContact O-N 2.88Å
378	Q	89.8	Confident	90.1	Very high	143 Å²	143	63.3 Å²	63.3	67%	0.668	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	123.8	166.4	165.2	160.4	63.7	0	0	110.3	L392	Q378-L392 VanDerWaalsContact CG-O 3.24Å; Q378-L392 WeakPolarHBondContact CG-O 3.29Å; Q378-L392 PolarHBondContact NE2-O 3.37Å
379	G	90.6	Very high	90.3	Very high	54 Å²	54	62.5 Å²	62.5	56%	0.557	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	6.2	-172.1	0	0	0	0	0	115.4	R377 Y391	R377-G379 PolarHBondContact O-N 3.46Å; G379-Y391 PolarHBondContact N-O 3.45Å
380	A	91.1	Very high	90.5	Very high	32 Å²	32	58.7 Å²	58.7	26%	0.264	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	138.4	176.2	0	0	0	0	0	112	R377 V390 Y391	R377-A380 HydrophobicContact CB-CB 4.39Å; R377-A380 WeakPolarHBondContact O-CB 3.37Å; R377-A380 PolarHBondContact O-N 2.88Å; A380-V390 WeakPolarHBondContact O-CA 3.5Å; A380-Y391 WeakPolarHBondContact O-CB 3.47Å; A380-Y391 PolarHBondContact O-N 2.95Å
381	R	93	Very high	90.7	Very high	73 Å²	73	59 Å²	59	28%	0.275	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	119.1	173.8	-164.1	172.5	-179.5	141.5	6.3	109.3	L273 E280 G384 G387 F389	L273-R381 VanDerWaalsContact CD1-CZ 3.45Å; E280-R381 VanDerWaalsContact CD-NH1 3.34Å; E280-R381 IonicContact OE1-CZ 3.45Å; E280-R381 IonicContact OE1-NH1 3.24Å; E280-R381 PolarHBondContact OE1-NH1 3.39Å; E280-R381 IonicContact OE1-NH2 2.75Å; E280-R381 IonicContact OE2-CZ 2.65Å; E280-R381 IonicContact OE2-NH1 3.59Å; E280-R381 PolarHBondContact OE2-NH1 3.11Å; E280-R381 IonicContact OE2-NH2 3.54Å; E280-R381 PolarHBondContact OE2-NH2 2.79Å; R381-G384 WeakPolarHBondContact CB-O 3.46Å; R381-G384 VanDerWaalsContact CD-O 3.3Å; R381-G384 WeakPolarHBondContact CD-O 3.42Å; R381-G384 VanDerWaalsContact CG-O 3.25Å; R381-G384 WeakPolarHBondContact CG-O 3.42Å; R381-G384 PolarHBondContact O-N 3.44Å; R381-G387 VanDerWaalsContact CZ-O 3.26Å; R381-G387 PolarHBondContact NE-O 3.26Å; R381-G387 PolarHBondContact NH2-O 3.31Å; R381-F389 WeakPolarHBondContact CA-O 3.31Å
382	I	92.2	Very high	90.9	Very high	18 Å²	18	60 Å²	60	9%	0.092	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.9	-174.8	-49.5	179.7	0	0	0	108.1	L270 T366 V368 G387 F389 Y391	L270-I382 HydrophobicContact CD2-CD1 3.5Å; T366-I382 HydrophobicContact CG2-CG2 3.78Å; V368-I382 HydrophobicContact CG2-CG2 3.33Å; I382-G387 WeakPolarHBondContact O-CA 3.28Å; I382-F389 HydrophobicContact CB-CB 4.31Å; I382-F389 HydrophobicContact CD1-CB 4.22Å; I382-F389 HydrophobicContact CG1-CB 4.48Å; I382-F389 PolarHBondContact N-O 3.11Å; I382-Y391 HydrophobicContact CD1-CD2 4.05Å
383	G	87.2	Confident	91	Very high	49 Å²	49	61 Å²	61	51%	0.505	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	15.3	-164.4	0	0	0	0	0	113.8
384	G	88	Confident	91	Very high	41 Å²	41	62.1 Å²	62.1	42%	0.423	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	70.3	-146.6	173.1	0	0	0	0	0	113.7	R381 H386 G387	R381-G384 WeakPolarHBondContact CB-O 3.46Å; R381-G384 VanDerWaalsContact CD-O 3.3Å; R381-G384 WeakPolarHBondContact CD-O 3.42Å; R381-G384 VanDerWaalsContact CG-O 3.25Å; R381-G384 WeakPolarHBondContact CG-O 3.42Å; R381-G384 PolarHBondContact O-N 3.44Å; G384-H386 PolarHBondContact O-N 3.4Å; G384-H386 VanDerWaalsContact O-N 3.13Å; G384-G387 PolarHBondContact O-N 2.91Å
385	K	86	Confident	90.8	Very high	191 Å²	191	64 Å²	64	83%	0.83	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-60.5	-24.1	-172.4	-69.6	-179.2	-178.7	174.4	0	114.4
386	H	86.7	Confident	90.4	Very high	131 Å²	131	61.1 Å²	61.1	61%	0.606	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-109	-4.9	-175.3	-69.9	-99.5	0	0	0	113.8	G384 H388	G384-H386 PolarHBondContact O-N 3.4Å; G384-H386 VanDerWaalsContact O-N 3.13Å; H386-H388 PolarHBondContact O-CD2 2.95Å; H386-H388 PolarHBondContact O-NE2 3.05Å
387	G	90.5	Very high	89.8	Confident	5 Å²	5	59.7 Å²	59.7	5%	0.052	32%	0.324	C	S	.	.			trans	-61.4	150.9	-173.9	0	0	0	0	0	115	R381 I382 G384	R381-G387 VanDerWaalsContact CZ-O 3.26Å; R381-G387 PolarHBondContact NE-O 3.26Å; R381-G387 PolarHBondContact NH2-O 3.31Å; I382-G387 WeakPolarHBondContact O-CA 3.28Å; G384-G387 PolarHBondContact O-N 2.91Å
388	H	94.5	Very high	89.3	Confident	43 Å²	43	52 Å²	52	20%	0.199	30%	0.296	C	S	.	.	S	Bend	trans	-95.3	4.6	-175.8	-55.7	131.7	0	0	0	113.9	Y272 L273 G274 I275 D365 H386	Y272-H388 WeakPolarHBondContact CD2-O 3.26Å; Y272-H388 HydrophobicContact CE2-CB 4.27Å; L273-H388 PolarHBondContact N-O 2.87Å; G274-H388 WeakPolarHBondContact O-CB 3.48Å; G274-H388 PolarHBondContact O-CD2 2.8Å; I275-H388 PolarHBondContact O-NE2 2.83Å; D365-H388 IonicContact OD1-CE1 2.81Å; D365-H388 IonicContact OD1-CG 3.67Å; D365-H388 IonicContact OD1-ND1 2.68Å; D365-H388 PolarHBondContact OD1-ND1 3.39Å; D365-H388 IonicContact OD2-ND1 3.38Å; H386-H388 PolarHBondContact O-CD2 2.95Å; H386-H388 PolarHBondContact O-NE2 3.05Å
389	F	95.5	Very high	89.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	143.8	-177	-62.9	-85.1	0	0	0	112.8	M271 Y272 V317 F342 I358 V360 D365 R381 I382	M271-F389 CarbonylContact O-C 3.47Å; M271-F389 VanDerWaalsContact O-CA 3.31Å; M271-F389 WeakPolarHBondContact O-CA 3.3Å; Y272-F389 HydrophobicContact CD2-CD1 4.13Å; Y272-F389 AromaticContact CD2-CE1 3.48Å; Y272-F389 HydrophobicContact CD2-CE1 3.48Å; Y272-F389 VanDerWaalsContact CD2-CE1 3.48Å; Y272-F389 HydrophobicContact CD2-CE2 4.26Å; Y272-F389 AromaticContact CD2-CZ 3.55Å; Y272-F389 HydrophobicContact CD2-CZ 3.55Å; Y272-F389 HydrophobicContact CE2-CE1 4.39Å; Y272-F389 HydrophobicContact CE2-CZ 4.02Å; Y272-F389 AromaticContact CG-CE1 4Å; Y272-F389 HydrophobicContact CG-CE1 4Å; Y272-F389 HydrophobicContact CG-CZ 4.42Å; V317-F389 HydrophobicContact CG1-CE1 3.8Å; V317-F389 HydrophobicContact CG1-CZ 3.75Å; V317-F389 HydrophobicContact CG2-CE1 4.2Å; V317-F389 HydrophobicContact CG2-CZ 3.95Å; F342-F389 AromaticContact CE1-CD1 3.9Å; F342-F389 HydrophobicContact CE1-CD1 3.9Å; F342-F389 AromaticContact CE1-CE1 3.92Å; F342-F389 HydrophobicContact CE1-CE1 3.92Å; F342-F389 HydrophobicContact CZ-CD1 4.07Å; F342-F389 HydrophobicContact CZ-CE1 4.06Å; I358-F389 HydrophobicContact CB-CE2 4.37Å; I358-F389 HydrophobicContact CD1-CB 4.31Å; I358-F389 HydrophobicContact CD1-CD1 4.45Å; I358-F389 HydrophobicContact CD1-CD2 3.96Å; I358-F389 HydrophobicContact CD1-CE2 4.48Å; I358-F389 HydrophobicContact CD1-CG 3.96Å; I358-F389 HydrophobicContact CG2-CD2 4.01Å; I358-F389 HydrophobicContact CG2-CE1 4.2Å; I358-F389 HydrophobicContact CG2-CE2 3.45Å; I358-F389 VanDerWaalsContact CG2-CE2 3.45Å; I358-F389 HydrophobicContact CG2-CZ 3.56Å; V360-F389 HydrophobicContact CG2-CE2 3.79Å; V360-F389 HydrophobicContact CG2-CZ 3.78Å; D365-F389 HydrophobicContact CB-CE2 4.38Å; D365-F389 WeakPolarHBondContact OD2-CD2 3.27Å; D365-F389 WeakPolarHBondContact OD2-CE2 3.49Å; R381-F389 WeakPolarHBondContact CA-O 3.31Å; I382-F389 HydrophobicContact CB-CB 4.31Å; I382-F389 HydrophobicContact CD1-CB 4.22Å; I382-F389 HydrophobicContact CG1-CB 4.48Å; I382-F389 PolarHBondContact N-O 3.11Å
390	V	95.3	Very high	88.9	Confident	25 Å²	25	44.5 Å²	44.5	15%	0.152	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.8	175.2	-178	0	0	0	0	110.8	L270 M271 L273 A380 L392	L270-V390 CarbonylContact C-O 3.6Å; L270-V390 VanDerWaalsContact CA-O 3.31Å; L270-V390 WeakPolarHBondContact CA-O 3.4Å; M271-V390 HydrophobicContact CB-CB 4.4Å; M271-V390 PolarHBondContact N-O 3.48Å; M271-V390 PolarHBondContact O-N 3.37Å; L273-V390 HydrophobicContact CD1-CG2 3.6Å; L273-V390 HydrophobicContact CD2-CG2 3.97Å; L273-V390 HydrophobicContact CG-CG2 3.86Å; A380-V390 WeakPolarHBondContact O-CA 3.5Å; V390-L392 HydrophobicContact CG1-CD2 4.18Å; V390-L392 PolarHBondContact O-N 2.89Å
391	Y	94.4	Very high	88.4	Confident	12 Å²	12	48.9 Å²	48.9	5%	0.047	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	105.4	-179.5	-162.7	-89.7	0	0	0	111.2	V268 E373 H376 G379 A380 I382 V394	V268-Y391 HydrophobicContact CG1-CD2 4.17Å; V268-Y391 HydrophobicContact CG1-CE2 3.44Å; V268-Y391 VanDerWaalsContact CG1-CE2 3.44Å; E373-Y391 VanDerWaalsContact C-OH 3.29Å; E373-Y391 WeakPolarHBondContact CB-OH 3.36Å; E373-Y391 PolarHBondContact O-OH 3.27Å; H376-Y391 HydrophobicContact CB-CD1 3.76Å; H376-Y391 HydrophobicContact CB-CD2 4.04Å; H376-Y391 HydrophobicContact CB-CE1 3.78Å; H376-Y391 HydrophobicContact CB-CE2 4.06Å; H376-Y391 HydrophobicContact CB-CG 3.89Å; H376-Y391 AromaticContact CD2-CE2 3.93Å; G379-Y391 PolarHBondContact N-O 3.45Å; A380-Y391 WeakPolarHBondContact O-CB 3.47Å; A380-Y391 PolarHBondContact O-N 2.95Å; I382-Y391 HydrophobicContact CD1-CD2 4.05Å; Y391-V394 HydrophobicContact CE1-CG2 3.54Å; Y391-V394 WeakPolarHBondContact OH-CG2 3.46Å
392	L	94.2	Very high	88	Confident	47 Å²	47	52.5 Å²	52.5	25%	0.246	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-55.5	-170.2	-58.6	-178.3	0	0	0	114.2	K269 M271 T341 Q378 V390	K269-L392 HydrophobicContact CB-CB 4.09Å; K269-L392 WeakPolarHBondContact O-CA 3.39Å; K269-L392 WeakPolarHBondContact O-CB 3.38Å; K269-L392 PolarHBondContact O-N 3.09Å; M271-L392 HydrophobicContact CB-CD1 4.11Å; M271-L392 HydrophobicContact CB-CD2 4.11Å; M271-L392 HydrophobicContact CB-CG 4.22Å; T341-L392 HydrophobicContact CG2-CD1 3.47Å; T341-L392 VanDerWaalsContact CG2-CD1 3.47Å; Q378-L392 VanDerWaalsContact CG-O 3.24Å; Q378-L392 WeakPolarHBondContact CG-O 3.29Å; Q378-L392 PolarHBondContact NE2-O 3.37Å; V390-L392 HydrophobicContact CG1-CD2 4.18Å; V390-L392 PolarHBondContact O-N 2.89Å
393	S	92.4	Very high	87.8	Confident	21 Å²	21	51.8 Å²	51.8	15%	0.147	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	165.4	-178.7	69.3	0	0	0	0	113	V268 K269 E395	V268-S393 WeakPolarHBondContact CA-O 3.34Å; K269-S393 WeakPolarHBondContact CD-OG 3.37Å; K269-S393 PolarHBondContact N-O 3.43Å; S393-E395 PolarHBondContact OG-OE1 2.97Å
394	V	91.5	Very high	87.7	Confident	30 Å²	30	53.4 Å²	53.4	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	122.5	174.5	-162.2	0	0	0	0	108.3	C266 I267 E373 Y374 Y391	C266-V394 WeakPolarHBondContact SG-CG1 3.35Å; I267-V394 WeakPolarHBondContact O-CA 3.49Å; E373-V394 HydrophobicContact CB-CG1 4.14Å; Y374-V394 HydrophobicContact CD1-CB 3.9Å; Y374-V394 HydrophobicContact CD1-CG1 3.97Å; Y374-V394 HydrophobicContact CD1-CG2 4.2Å; Y374-V394 HydrophobicContact CD2-CG1 4.23Å; Y374-V394 HydrophobicContact CE1-CB 3.68Å; Y374-V394 HydrophobicContact CE1-CG1 3.69Å; Y374-V394 HydrophobicContact CE1-CG2 4.46Å; Y374-V394 HydrophobicContact CE2-CG1 3.98Å; Y374-V394 HydrophobicContact CG-CG1 4.26Å; Y391-V394 HydrophobicContact CE1-CG2 3.54Å; Y391-V394 WeakPolarHBondContact OH-CG2 3.46Å
395	E	87.5	Confident	87.6	Confident	85 Å²	85	53.6 Å²	53.6	40%	0.397	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	124.2	-176.8	-74.4	153.9	-125.2	0	0	109.2	I267 K269 S393	I267-E395 PolarHBondContact N-O 2.9Å; I267-E395 PolarHBondContact O-N 2.82Å; K269-E395 WeakPolarHBondContact CE-OE1 3.27Å; K269-E395 WeakPolarHBondContact CE-OE2 3.42Å; K269-E395 IonicContact NZ-OE1 3.88Å; K269-E395 PolarHBondContact NZ-OE1 2.92Å; K269-E395 IonicContact NZ-OE2 3.25Å; K269-E395 PolarHBondContact NZ-OE2 3.21Å; S393-E395 PolarHBondContact OG-OE1 2.97Å
396	G	81.8	Confident	87.6	Confident	18 Å²	18	46.7 Å²	46.7	19%	0.186	23%	0.234	C	C	.	.	S	Bend	trans	92	164.4	-174.6	0	0	0	0	0	114.8	T264 Y374	T264-G396 CarbonylContact O-C 3.6Å; T264-G396 WeakPolarHBondContact O-CA 3.24Å; T264-G396 WeakPolarHBondContact OG1-CA 3.43Å; Y374-G396 PolarHBondContact OH-O 3.08Å
397	S	76.3	Confident	87.4	Confident	24 Å²	24	44.7 Å²	44.7	17%	0.168	22%	0.224	C	C	.	.	S	Bend	trans	55.5	-170.7	-166	-163.3	0	0	0	0	113.9	T264 Y374	T264-S397 PolarHBondContact O-N 3Å; Y374-S397 PolarHBondContact OH-O 2.73Å
398	F	77.2	Confident	87.1	Confident	50 Å²	50	50.6 Å²	50.6	22%	0.219	25%	0.248	C	C	.	.			trans	-121.9	146.9	178.1	-68.7	-76.1	0	0	0	111.1	Y350	Y350-F398 HydrophobicContact CE2-CB 4.45Å
399	P	85.9	Confident	86.5	Confident	28 Å²	28	52.5 Å²	52.5	18%	0.182	26%	0.259	C	S	.	.			trans	-66.2	140.6	172.7	28.6	-34.9	0	0	0	111.3	Y350 Y374 C403	Y350-P399 PolarHBondContact OH-O 3.29Å; Y350-P399 VanDerWaalsContact OH-O 3.13Å; Y374-P399 VanDerWaalsContact CD2-CA 3.46Å; Y374-P399 HydrophobicContact CD2-CB 3.72Å; Y374-P399 HydrophobicContact CE2-CB 4.34Å; Y374-P399 HydrophobicContact CG-CB 3.85Å; P399-C403 HydrophobicContact CB-CB 4.42Å
400	C	85	Confident	85.9	Confident	12 Å²	12	58 Å²	58	8%	0.081	28%	0.283	C	S	.	.			trans	-63.7	160.7	174.4	75.8	0	0	0	0	111.9	Y350 C371 C372 R402 C403 R404	Y350-C400 WeakPolarHBondContact OH-CA 3.3Å; C371-C400 PolarHBondContact O-SG 2.92Å; C371-C400 VanDerWaalsContact O-SG 3.41Å; C372-C400 HydrophobicContact CB-CB 4.04Å; C372-C400 PolarHBondContact SG-N 2.96Å; C372-C400 PolarHBondContact SG-SG 3.44Å; C400-R402 PolarHBondContact O-N 2.79Å; C400-C403 PolarHBondContact O-N 2.83Å; C400-R404 PolarHBondContact O-N 2.78Å
401	F	81	Confident	85.2	Confident	123 Å²	123	61.3 Å²	61.3	54%	0.539	30%	0.297	S	S	.	.	H	α-helix	trans	-54.5	-47.5	-176.4	-175.6	-96.2	0	0	0	112.6	L78 C403 R404 A405	L78-F401 HydrophobicContact CD2-CD2 4.46Å; F401-C403 VanDerWaalsContact C-N 3.29Å; F401-C403 PolarHBondContact O-N 2.89Å; F401-R404 PolarHBondContact O-N 3.34Å; F401-A405 WeakPolarHBondContact O-CB 3.12Å; F401-A405 PolarHBondContact O-N 3.24Å
402	R	85.2	Confident	84.4	Confident	149 Å²	149	65.9 Å²	65.9	56%	0.562	32%	0.319	S	S	*	.	H	α-helix	trans	-54	-43.4	176.2	-163.9	170	-179.1	-174	-1	111.4	C400 L406	C400-R402 PolarHBondContact O-N 2.79Å; R402-L406 WeakPolarHBondContact O-CB 3.46Å; R402-L406 WeakPolarHBondContact O-CD1 3.42Å; R402-L406 VanDerWaalsContact O-CG 3.23Å; R402-L406 WeakPolarHBondContact O-CG 3.45Å; R402-L406 PolarHBondContact O-N 3.08Å
403	C	88	Confident	83.7	Confident	4 Å²	4	67 Å²	67	3%	0.027	32%	0.323	C	S	.	.	H	α-helix	trans	-75.6	-28.5	177	-73.4	0	0	0	0	114.3	C371 C372 R375 P399 C400 F401 K407	C371-C403 VanDerWaalsContact SG-SG 3.61Å; C372-C403 PolarHBondContact SG-SG 3.42Å; R375-C403 VanDerWaalsContact CA-SG 3.54Å; P399-C403 HydrophobicContact CB-CB 4.42Å; C400-C403 PolarHBondContact O-N 2.83Å; F401-C403 VanDerWaalsContact C-N 3.29Å; F401-C403 PolarHBondContact O-N 2.89Å; C403-K407 WeakPolarHBondContact O-CB 3.27Å; C403-K407 VanDerWaalsContact O-CG 3.3Å; C403-K407 WeakPolarHBondContact O-CG 3.24Å; C403-K407 PolarHBondContact O-N 3.12Å; C403-K407 VanDerWaalsContact O-N 3.09Å
404	R	85	Confident	83	Confident	82 Å²	82	71.9 Å²	71.9	31%	0.309	34%	0.343	S	S	.	.	H	α-helix	trans	-70.9	-41.9	173.1	-171	172.6	-179.7	150.7	-7.6	111.4	C400 F401 K407 K408	C400-R404 PolarHBondContact O-N 2.78Å; F401-R404 PolarHBondContact O-N 3.34Å; R404-K407 PolarHBondContact O-N 3.41Å; R404-K408 PolarHBondContact O-N 2.89Å
405	A	85.2	Confident	82.2	Confident	45 Å²	45	75.6 Å²	75.6	37%	0.372	36%	0.358	S	S	.	.	H	α-helix	trans	-61.7	-50	173.5	0	0	0	0	0	111.6	F401 K407 K408 L409	F401-A405 WeakPolarHBondContact O-CB 3.12Å; F401-A405 PolarHBondContact O-N 3.24Å; A405-K407 VanDerWaalsContact C-N 3.25Å; A405-K407 PolarHBondContact O-N 3.22Å; A405-K408 WeakPolarHBondContact O-CB 3.4Å; A405-K408 PolarHBondContact O-N 3.22Å; A405-K408 VanDerWaalsContact O-N 3.07Å; A405-L409 PolarHBondContact O-N 3.17Å
406	L	85.9	Confident	81.8	Confident	46 Å²	46	76.4 Å²	76.4	24%	0.241	36%	0.362	C	S	.	.	H	α-helix	trans	-59.3	-33.3	175.9	-72.6	169.8	0	0	0	113.1	R402 K410	R402-L406 WeakPolarHBondContact O-CB 3.46Å; R402-L406 WeakPolarHBondContact O-CD1 3.42Å; R402-L406 VanDerWaalsContact O-CG 3.23Å; R402-L406 WeakPolarHBondContact O-CG 3.45Å; R402-L406 PolarHBondContact O-N 3.08Å; L406-K410 WeakPolarHBondContact O-CB 3.46Å; L406-K410 VanDerWaalsContact O-CG 3.31Å; L406-K410 WeakPolarHBondContact O-CG 3.38Å; L406-K410 PolarHBondContact O-N 3.45Å; L406-K410 VanDerWaalsContact O-N 3.08Å
407	K	84.1	Confident	81.4	Confident	89 Å²	89	82.5 Å²	82.5	39%	0.387	38%	0.384	S	S	.	.	H	α-helix	trans	-68.8	-43.4	172.7	-78.4	174.6	-178.8	179.7	0	112.2	C403 R404 A405 K410 Q411	C403-K407 WeakPolarHBondContact O-CB 3.27Å; C403-K407 VanDerWaalsContact O-CG 3.3Å; C403-K407 WeakPolarHBondContact O-CG 3.24Å; C403-K407 PolarHBondContact O-N 3.12Å; C403-K407 VanDerWaalsContact O-N 3.09Å; R404-K407 PolarHBondContact O-N 3.41Å; A405-K407 VanDerWaalsContact C-N 3.25Å; A405-K407 PolarHBondContact O-N 3.22Å; K407-K410 PolarHBondContact O-N 2.96Å; K407-Q411 VanDerWaalsContact O-CG 3.27Å; K407-Q411 WeakPolarHBondContact O-CG 3.46Å; K407-Q411 PolarHBondContact O-N 2.96Å
408	K	82.5	Confident	81.2	Confident	130 Å²	130	86.5 Å²	86.5	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-57.7	-49.9	173.5	-73	-177.7	176.2	-176.4	0	111.3	R404 A405 K410 Q411 Q412	R404-K408 PolarHBondContact O-N 2.89Å; A405-K408 WeakPolarHBondContact O-CB 3.4Å; A405-K408 PolarHBondContact O-N 3.22Å; A405-K408 VanDerWaalsContact O-N 3.07Å; K408-K410 PolarHBondContact O-N 3.13Å; K408-Q411 WeakPolarHBondContact O-CB 3.39Å; K408-Q411 PolarHBondContact O-N 3.49Å; K408-Q411 VanDerWaalsContact O-N 3.13Å; K408-Q412 WeakPolarHBondContact O-CG 3.23Å; K408-Q412 PolarHBondContact O-N 3.02Å
409	L	83.6	Confident	80.8	Confident	82 Å²	82	90.9 Å²	90.9	43%	0.429	42%	0.42	S	S	.	.	H	α-helix	trans	-61.2	-45.5	-179.1	-176.8	63.1	0	0	0	112	A405 Q411 Q412 Q413	A405-L409 PolarHBondContact O-N 3.17Å; L409-Q411 VanDerWaalsContact C-N 3.27Å; L409-Q411 PolarHBondContact O-N 3.26Å; L409-Q412 PolarHBondContact O-N 3.05Å; L409-Q413 WeakPolarHBondContact O-CG 3.46Å; L409-Q413 PolarHBondContact O-N 3.02Å
410	K	82.4	Confident	79.8	Confident	116 Å²	116	98.8 Å²	98.8	50%	0.504	45%	0.446	S	S	.	.	H	α-helix	trans	-64.1	-30.5	176.3	-74.2	173.4	178.7	175.9	0	112.6	L406 K407 K408 Q414	L406-K410 WeakPolarHBondContact O-CB 3.46Å; L406-K410 VanDerWaalsContact O-CG 3.31Å; L406-K410 WeakPolarHBondContact O-CG 3.38Å; L406-K410 PolarHBondContact O-N 3.45Å; L406-K410 VanDerWaalsContact O-N 3.08Å; K407-K410 PolarHBondContact O-N 2.96Å; K408-K410 PolarHBondContact O-N 3.13Å; K410-Q414 VanDerWaalsContact O-CG 3.23Å; K410-Q414 WeakPolarHBondContact O-CG 3.32Å; K410-Q414 PolarHBondContact O-N 2.96Å
411	Q	79.3	Confident	78.6	Confident	95 Å²	95	106.1 Å²	106.1	44%	0.444	48%	0.477	S	S	.	.	H	α-helix	trans	-72	-42.9	172.6	-73.3	169.3	-10.2	0	0	112.2	K407 K408 L409 Q414 Q415	K407-Q411 VanDerWaalsContact O-CG 3.27Å; K407-Q411 WeakPolarHBondContact O-CG 3.46Å; K407-Q411 PolarHBondContact O-N 2.96Å; K408-Q411 WeakPolarHBondContact O-CB 3.39Å; K408-Q411 PolarHBondContact O-N 3.49Å; K408-Q411 VanDerWaalsContact O-N 3.13Å; L409-Q411 VanDerWaalsContact C-N 3.27Å; L409-Q411 PolarHBondContact O-N 3.26Å; Q411-Q414 PolarHBondContact O-N 3.09Å; Q411-Q415 WeakPolarHBondContact O-CG 3.33Å; Q411-Q415 PolarHBondContact O-N 3.05Å
412	Q	78.6	Confident	77.4	Confident	108 Å²	108	107 Å²	107	51%	0.505	48%	0.482	S	S	.	.	H	α-helix	trans	-59.2	-50.8	175.5	-72.8	165.9	-41.1	0	0	111.2	K408 L409 Q414 Q415 E416	K408-Q412 WeakPolarHBondContact O-CG 3.23Å; K408-Q412 PolarHBondContact O-N 3.02Å; L409-Q412 PolarHBondContact O-N 3.05Å; Q412-Q414 VanDerWaalsContact C-N 3.27Å; Q412-Q414 PolarHBondContact O-N 3.08Å; Q412-Q415 WeakPolarHBondContact O-CB 3.21Å; Q412-Q415 PolarHBondContact O-N 3.42Å; Q412-E416 WeakPolarHBondContact O-CG 3.36Å; Q412-E416 PolarHBondContact O-N 2.67Å
413	Q	80.4	Confident	75.7	Confident	71 Å²	71	107.6 Å²	107.6	33%	0.332	49%	0.489	S	S	.	.	H	α-helix	trans	-58.1	-35.9	176.6	-69.9	176.3	-4.5	0	0	113	L409 K417	L409-Q413 WeakPolarHBondContact O-CG 3.46Å; L409-Q413 PolarHBondContact O-N 3.02Å; Q413-K417 WeakPolarHBondContact O-CB 3.36Å; Q413-K417 WeakPolarHBondContact O-CG 3.43Å; Q413-K417 PolarHBondContact O-N 3.4Å
414	Q	76.5	Confident	73.6	Confident	122 Å²	122	111.8 Å²	111.8	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-69.9	-39.8	174.7	-75.4	173.7	21.1	0	0	112.3	K410 Q411 Q412 M418	K410-Q414 VanDerWaalsContact O-CG 3.23Å; K410-Q414 WeakPolarHBondContact O-CG 3.32Å; K410-Q414 PolarHBondContact O-N 2.96Å; Q411-Q414 PolarHBondContact O-N 3.09Å; Q412-Q414 VanDerWaalsContact C-N 3.27Å; Q412-Q414 PolarHBondContact O-N 3.08Å; Q414-M418 WeakPolarHBondContact O-CE 3.39Å; Q414-M418 WeakPolarHBondContact O-CG 3.4Å; Q414-M418 PolarHBondContact O-N 3.07Å
415	Q	75.5	Confident	71.6	Confident	108 Å²	108	113 Å²	113	51%	0.505	54%	0.535	S	S	.	.	H	α-helix	trans	-65	-39.7	174	-68.9	178.8	27.1	0	0	111.7	Q411 Q412 M418 K419	Q411-Q415 WeakPolarHBondContact O-CG 3.33Å; Q411-Q415 PolarHBondContact O-N 3.05Å; Q412-Q415 WeakPolarHBondContact O-CB 3.21Å; Q412-Q415 PolarHBondContact O-N 3.42Å; Q415-M418 PolarHBondContact O-N 3.48Å; Q415-K419 WeakPolarHBondContact O-CG 3.23Å; Q415-K419 PolarHBondContact O-N 3.18Å
416	E	77.5	Confident	69.4	Low	102 Å²	102	116 Å²	116	48%	0.477	55%	0.549	S	S	.	.	H	α-helix	trans	-66.2	-45.7	175.2	-72.9	178	-175.4	0	0	112.7	Q412 M418 K419 R420	Q412-E416 WeakPolarHBondContact O-CG 3.36Å; Q412-E416 PolarHBondContact O-N 2.67Å; E416-M418 PolarHBondContact O-N 2.88Å; E416-K419 PolarHBondContact O-N 3.26Å; E416-K419 VanDerWaalsContact O-N 3.12Å; E416-R420 PolarHBondContact O-N 2.85Å
417	K	75.4	Confident	67.4	Low	147 Å²	147	120.1 Å²	120.1	64%	0.639	57%	0.571	S	S	*	*	H	α-helix	trans	-60.4	-31.7	174.2	-75	-176.5	177.6	-171	0	111.6	Q413 K421	Q413-K417 WeakPolarHBondContact O-CB 3.36Å; Q413-K417 WeakPolarHBondContact O-CG 3.43Å; Q413-K417 PolarHBondContact O-N 3.4Å; K417-K421 WeakPolarHBondContact O-CB 3.45Å; K417-K421 WeakPolarHBondContact O-CG 3.45Å; K417-K421 PolarHBondContact O-N 3.25Å
418	M	70.2	Confident	65.4	Low	108 Å²	108	124.8 Å²	124.8	53%	0.532	59%	0.594	S	S	.	*	H	α-helix	trans	-73.5	-41.5	170.8	-75.4	-173.1	-80.5	0	0	113.4	Q414 Q415 E416 K421 Q422	Q414-M418 WeakPolarHBondContact O-CE 3.39Å; Q414-M418 WeakPolarHBondContact O-CG 3.4Å; Q414-M418 PolarHBondContact O-N 3.07Å; Q415-M418 PolarHBondContact O-N 3.48Å; E416-M418 PolarHBondContact O-N 2.88Å; M418-K421 PolarHBondContact O-N 3.11Å; M418-Q422 WeakPolarHBondContact O-CG 3.39Å; M418-Q422 PolarHBondContact O-N 3.11Å
419	K	68.7	Low	63.5	Low	142 Å²	142	126.3 Å²	126.3	62%	0.617	61%	0.609	S	S	*	*	H	α-helix	trans	-62.8	-46.1	175.9	-75.7	175	179.7	177.7	0	111.8	Q415 E416 K421 Q422 K423	Q415-K419 WeakPolarHBondContact O-CG 3.23Å; Q415-K419 PolarHBondContact O-N 3.18Å; E416-K419 PolarHBondContact O-N 3.26Å; E416-K419 VanDerWaalsContact O-N 3.12Å; K419-K421 PolarHBondContact O-N 3.09Å; K419-Q422 PolarHBondContact O-N 2.9Å; K419-Q422 VanDerWaalsContact O-N 3.13Å; K419-K423 PolarHBondContact O-N 3.1Å; K419-K423 VanDerWaalsContact O-N 3.11Å
420	R	66.2	Low	61.6	Low	193 Å²	193	130.8 Å²	130.8	73%	0.728	63%	0.633	S	S	*	*	H	α-helix	trans	-58.7	-45.3	176.8	-70.1	-172	-174.4	-163.9	3.3	111.3	E416 Q422 K423 S424	E416-R420 PolarHBondContact O-N 2.85Å; R420-Q422 PolarHBondContact O-N 2.94Å; R420-K423 PolarHBondContact O-N 3.23Å; R420-S424 PolarHBondContact O-N 2.88Å; R420-S424 PolarHBondContact O-OG 2.96Å
421	K	59.5	Low	59.6	Low	166 Å²	166	129 Å²	129	72%	0.722	65%	0.648	S	S	*	*	H	α-helix	trans	-71.3	-5.4	177.1	-72.7	-167.6	174.7	-166.6	0	115.9	K417 M418 K419	K417-K421 WeakPolarHBondContact O-CB 3.45Å; K417-K421 WeakPolarHBondContact O-CG 3.45Å; K417-K421 PolarHBondContact O-N 3.25Å; M418-K421 PolarHBondContact O-N 3.11Å; K419-K421 PolarHBondContact O-N 3.09Å
422	Q	55.6	Low	57.7	Low	142 Å²	142	134 Å²	134	66%	0.664	67%	0.668	S	S	*	*	H	α-helix	trans	-102.1	-23.2	170.2	-71.7	180	19	0	0	112.8	M418 K419 R420 T425	M418-Q422 WeakPolarHBondContact O-CG 3.39Å; M418-Q422 PolarHBondContact O-N 3.11Å; K419-Q422 PolarHBondContact O-N 2.9Å; K419-Q422 VanDerWaalsContact O-N 3.13Å; R420-Q422 PolarHBondContact O-N 2.94Å; Q422-T425 PolarHBondContact O-OG1 2.98Å
423	K	49.5	Very low	55.8	Low	162 Å²	162	136.5 Å²	136.5	70%	0.704	68%	0.683	S	S	*	*	H	α-helix	trans	-80.1	-26.8	175	-159.3	174.8	-178.9	-173.6	0	112.3	K419 R420 T425	K419-K423 PolarHBondContact O-N 3.1Å; K419-K423 VanDerWaalsContact O-N 3.11Å; R420-K423 PolarHBondContact O-N 3.23Å; K423-T425 VanDerWaalsContact C-N 3.26Å; K423-T425 PolarHBondContact O-N 3.45Å
424	S	44.6	Very low	53.9	Low	92 Å²	92	140.9 Å²	140.9	64%	0.643	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	24.5	178.4	68.1	0	0	0	0	114.9	R420	R420-S424 PolarHBondContact O-N 2.88Å; R420-S424 PolarHBondContact O-OG 2.96Å
425	T	42.7	Very low	51.9	Low	107 Å²	107	143.4 Å²	143.4	66%	0.656	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.9	28.9	-175.6	63.2	0	0	0	0	113.7	Q422 K423	Q422-T425 PolarHBondContact O-OG1 2.98Å; K423-T425 VanDerWaalsContact C-N 3.26Å; K423-T425 PolarHBondContact O-N 3.45Å
426	T	39.6	Very low	50	Low	108 Å²	108	146.3 Å²	146.3	66%	0.663	73%	0.729	S	S	*	*	S	Bend	trans	-134.7	-27.5	-177.1	-44.1	0	0	0	0	113.8
427	D	43.3	Very low	48.1	Very low	132 Å²	132	150.4 Å²	150.4	71%	0.706	75%	0.748	S	S	*	*	S	Bend	trans	-111.7	26.4	-162.2	-58.2	-35.3	0	0	0	114.7
428	E	41.7	Very low	46.2	Very low	188 Å²	188	147.6 Å²	147.6	88%	0.879	75%	0.752	S	S	*	*			trans	-128.7	92.7	173.2	-74.8	-175	-176.8	0	0	111.1
429	N	42.7	Very low	44.6	Very low	161 Å²	161	150 Å²	150	86%	0.861	77%	0.767	S	S	*	*			trans	-162.5	43.7	170.9	-125.5	-19.4	0	0	0	113.3
430	D	43.9	Very low	43.1	Very low	176 Å²	176	151.9 Å²	151.9	94%	0.941	78%	0.778	S	S	*	*	S	Bend	trans	-163.1	143.2	161.3	-105	-33.9	0	0	0	110.2
431	G	40.1	Very low	41.6	Very low	80 Å²	80	153.6 Å²	153.6	83%	0.825	79%	0.786	S	S	*	*			trans	102.9	100	176.3	0	0	0	0	0	115.5
432	K	39.7	Very low	40.4	Very low	200 Å²	200	153.1 Å²	153.1	87%	0.87	79%	0.791	S	S	*	*			trans	-84.5	148.6	164.3	-61.6	169.1	177.7	174	0	109.8
433	I	38.3	Very low	39.7	Very low	159 Å²	159	153.8 Å²	153.8	82%	0.815	80%	0.799	S	S	*	*				-177	153.3	123	-93.6	157.5	0	0	0	110.1
434	Q	40.5	Very low	39	Very low	164 Å²	164	148.3 Å²	148.3	77%	0.766	79%	0.789	S	S	*	*			trans	-73.7	148.9	-173.2	-50	112.4	-18.4	0	0	113
435	H	35.7	Very low	38.5	Very low	175 Å²	175	151.6 Å²	151.6	81%	0.81	80%	0.8	S	S	*	*				-160.5	170.1	96	-136.1	-92.8	0	0	0	112.2
436	E	35.8	Very low	38.2	Very low	169 Å²	169	152.3 Å²	152.3	79%	0.79	80%	0.799	S	S	*	*			trans	-110	172.1	-172.9	-61.4	172.8	130.5	0	0	112.9
437	E	37.8	Very low	38.2	Very low	188 Å²	188	154.1 Å²	154.1	88%	0.879	80%	0.804	S	S	*	*			trans	105.7	133.1	164.1	-57.8	-169.4	137.7	0	0	119.1
438	A	34.2	Very low	37.8	Very low	87 Å²	87	155.3 Å²	155.3	72%	0.719	80%	0.803	S	S	*	*			trans	54	141.7	157.1	0	0	0	0	0	120.4
439	D	37.3	Very low	37.6	Very low	158 Å²	158	151.2 Å²	151.2	85%	0.845	79%	0.791	S	S	*	*			cis	-151.2	174.6	5.5	-112.3	-28.9	0	0	0	112.5
440	E	36	Very low	37.2	Very low	183 Å²	183	152.7 Å²	152.7	86%	0.855	79%	0.786	S	S	*	*			trans	-80	123.7	-176.7	-179.9	175.6	-155.9	0	0	113.7
441	Y	34.6	Very low	36.9	Very low	229 Å²	229	149 Å²	149	90%	0.898	76%	0.763	S	S	*	*			trans	-143.2	132.7	166.8	-101.3	-85.7	0	0	0	112.6
442	D	35.9	Very low	36.6	Very low	155 Å²	155	150.5 Å²	150.5	83%	0.829	75%	0.752	S	S	*	*			trans	-98.1	120.6	175.4	-179.3	33.7	0	0	0	110.1
443	D	40.1	Very low	36.6	Very low	156 Å²	156	147.8 Å²	147.8	83%	0.834	75%	0.747	S	S	*	*			trans	-118.2	96.6	175.6	-177.9	26	0	0	0	110.8
444	G	36	Very low	36.4	Very low	48 Å²	48	149.1 Å²	149.1	50%	0.495	75%	0.747	S	S	.	*			trans	-91.9	104.7	-174.6	0	0	0	0	0	114.5	N446	G444-N446 PolarHBondContact O-N 3.23Å; G444-N446 PolarHBondContact O-ND2 3.4Å
445	D	32.9	Very low	36.4	Very low	161 Å²	161	150.3 Å²	150.3	86%	0.861	75%	0.753	S	S	*	*			trans	24.6	76.4	156.7	-102	-26.9	0	0	0	115.9
446	N	36.3	Very low	36.3	Very low	121 Å²	121	148.2 Å²	148.2	65%	0.647	75%	0.753	S	S	*	*			trans	-129.4	83.5	168	-101	-77.4	0	0	0	112.8	G444 K448	G444-N446 PolarHBondContact O-N 3.23Å; G444-N446 PolarHBondContact O-ND2 3.4Å; N446-K448 WeakPolarHBondContact OD1-CE 3.08Å
447	L	40	Very low	36.4	Very low	147 Å²	147	148 Å²	148	77%	0.77	75%	0.752	S	S	*	*			trans	-105.3	82.6	154.2	-171.6	67.2	0	0	0	108.7	V449	L447-V449 VanDerWaalsContact C-N 3.34Å; L447-V449 PolarHBondContact O-N 2.9Å
448	K	34.9	Very low	36.2	Very low	156 Å²	156	146.7 Å²	146.7	68%	0.678	75%	0.75	S	S	*	*			trans	-66.4	93.3	170.4	-69.2	-176.1	-179.1	178.5	0	109.3	N446 Y450	N446-K448 WeakPolarHBondContact OD1-CE 3.08Å; K448-Y450 PolarHBondContact O-N 3.27Å
449	V	38.1	Very low	36.5	Very low	103 Å²	103	149.8 Å²	149.8	62%	0.624	75%	0.748	S	S	*	*			trans	-69.2	114.8	150.1	179.6	0	0	0	0	105	L447 E451	L447-V449 VanDerWaalsContact C-N 3.34Å; L447-V449 PolarHBondContact O-N 2.9Å; V449-E451 PolarHBondContact O-N 3.05Å
450	Y	32.5	Very low	36.5	Very low	191 Å²	191	151.7 Å²	151.7	75%	0.749	75%	0.749	S	S	*	*			trans	-58.1	126.8	173.5	-79.5	-110.1	0	0	0	108.1	K448	K448-Y450 PolarHBondContact O-N 3.27Å
451	E	39	Very low	36.5	Very low	100 Å²	100	150.9 Å²	150.9	47%	0.467	75%	0.748	S	S	.	*			trans	-103.1	109.4	166.4	-56.9	-151.5	126.3	0	0	105.3	R375 V449 D453	R375-E451 IonicContact CZ-OE1 2.69Å; R375-E451 IonicContact CZ-OE2 2.88Å; R375-E451 IonicContact NH1-OE1 3.6Å; R375-E451 PolarHBondContact NH1-OE1 3.36Å; R375-E451 IonicContact NH1-OE2 2.66Å; R375-E451 IonicContact NH2-OE1 4Å; R375-E451 PolarHBondContact NH2-OE1 2.91Å; R375-E451 VanDerWaalsContact NH2-OE1 3.15Å; R375-E451 IonicContact NH2-OE2 2.71Å; R375-E451 PolarHBondContact NH2-OE2 3.42Å; V449-E451 PolarHBondContact O-N 3.05Å; E451-D453 VanDerWaalsContact C-N 3.33Å; E451-D453 PolarHBondContact O-N 2.86Å
452	D	33.6	Very low	36.7	Very low	110 Å²	110	146.3 Å²	146.3	59%	0.588	74%	0.74	S	S	*	*			trans	-70.1	88.4	-177.1	-64.3	-53.9	0	0	0	110.8	F454	D452-F454 HydrophobicContact CB-CD2 4.17Å; D452-F454 HydrophobicContact CB-CE2 4.49Å
453	D	39.6	Very low	36.6	Very low	143 Å²	143	146.9 Å²	146.9	77%	0.765	74%	0.737	S	S	*	*			trans	-94.5	79.3	165.2	-67.7	-31.2	0	0	0	108	E451 E455	E451-D453 VanDerWaalsContact C-N 3.33Å; E451-D453 PolarHBondContact O-N 2.86Å; D453-E455 PolarHBondContact O-N 2.99Å
454	F	34	Very low	36.6	Very low	188 Å²	188	147.7 Å²	147.7	83%	0.825	74%	0.742	S	S	*	*			trans	-80.9	99.5	174.6	-93.3	-94.5	0	0	0	110.9	D452	D452-F454 HydrophobicContact CB-CD2 4.17Å; D452-F454 HydrophobicContact CB-CE2 4.49Å
455	E	40.4	Very low	36.6	Very low	188 Å²	188	149 Å²	149	88%	0.879	75%	0.754	S	S	*	*			trans	-99.9	147.1	155.3	-67.8	-172.4	161.1	0	0	109.2	D453	D453-E455 PolarHBondContact O-N 2.99Å
456	T	33	Very low	36.8	Very low	132 Å²	132	148.7 Å²	148.7	81%	0.81	75%	0.753	S	S	*	*			trans	-64.5	145.1	-165.7	48.2	0	0	0	0	116.5
457	E	37.5	Very low	36.5	Very low	165 Å²	165	151.4 Å²	151.4	77%	0.771	76%	0.755	S	S	*	*			trans	-147.4	120.7	141.7	-81.4	-149.4	131.9	0	0	111.9	K459	E457-K459 IonicContact OE1-NZ 3.69Å; E457-K459 PolarHBondContact OE1-NZ 3.45Å; E457-K459 IonicContact OE2-NZ 2.71Å; E457-K459 PolarHBondContact OE2-NZ 2.82Å
458	D	35	Very low	36.3	Very low	159 Å²	159	152 Å²	152	85%	0.85	76%	0.76	S	S	*	*			trans	-85	131	165.3	-64.4	-68.7	0	0	0	111
459	K	41	Very low	36.1	Very low	153 Å²	153	153 Å²	153	67%	0.665	77%	0.766	S	S	*	*			trans	-144.2	121	163.4	-69.8	-169.9	175.7	60.3	0	111.8	E457	E457-K459 IonicContact OE1-NZ 3.69Å; E457-K459 PolarHBondContact OE1-NZ 3.45Å; E457-K459 IonicContact OE2-NZ 2.71Å; E457-K459 PolarHBondContact OE2-NZ 2.82Å
460	K	35.9	Very low	35.8	Very low	198 Å²	198	156.1 Å²	156.1	86%	0.861	78%	0.778	S	S	*	*			trans	-76.6	148.7	168.2	-64.2	-178.1	176.5	-173.9	0	110.7
461	I	37.2	Very low	36	Very low	165 Å²	165	156 Å²	156	85%	0.846	78%	0.784	S	S	*	*			trans	-134.3	146.7	159.8	-60.6	-177.7	0	0	0	106.9
462	N	37.3	Very low	35.5	Very low	134 Å²	134	160.5 Å²	160.5	72%	0.717	81%	0.805	S	S	*	*			trans	-95.4	176.8	-167.6	-60.4	-8.7	0	0	0	113.7
463	E	34.5	Very low	35.4	Very low	167 Å²	167	163.9 Å²	163.9	78%	0.78	82%	0.817	S	S	*	*			trans	-49.3	147.3	177.4	-58.6	124.4	147.3	0	0	115.8
464	D	39.8	Very low	34.9	Very low	173 Å²	173	166.1 Å²	166.1	93%	0.925	82%	0.82	S	S	*	*				172.8	146.6	120.2	-93	-24.8	0	0	0	111.8
465	G	35.7	Very low	34.7	Very low	74 Å²	74	164.9 Å²	164.9	76%	0.763	82%	0.821	S	S	*	*			trans	119.6	75.1	152.1	0	0	0	0	0	121.1
466	D	38.6	Very low	34	Very low	156 Å²	156	164.9 Å²	164.9	83%	0.834	82%	0.822	S	S	*	*			trans	70.6	152.8	141.1	-146.5	7.9	0	0	0	121.7
467	Y	29.3	Very low	33.8	Very low	177 Å²	177	164.2 Å²	164.2	69%	0.694	82%	0.817	S	S	*	*			trans	-114.4	156.6	-178	-84.7	-108.6	0	0	0	111.4
468	N	35.3	Very low	33.3	Very low	161 Å²	161	162.9 Å²	162.9	86%	0.861	82%	0.82	S	S	*	*			trans	-160.6	137.9	143.1	-101.2	-72.9	0	0	0	109.8
469	E	30	Very low	32.9	Very low	175 Å²	175	163 Å²	163	82%	0.818	82%	0.815	S	S	*	*			trans	-92.7	140.3	-179.7	-65	177.1	122.3	0	0	111.4
470	I	32.1	Very low	32.4	Very low	170 Å²	170	160.6 Å²	160.6	87%	0.872	82%	0.815	S	S	*	*			trans	-136.8	128.8	159.9	-59.9	-177.6	0	0	0	106.7
471	E	36.9	Very low	31.9	Very low	189 Å²	189	157 Å²	157	88%	0.883	82%	0.815	S	S	*	*			trans	-76.7	172.1	-174.2	-66.4	-179.5	119.9	0	0	113.5
472	E	28.4	Very low	31.4	Very low	193 Å²	193	152.2 Å²	152.2	90%	0.902	81%	0.806	S	S	*	*			trans	-75.4	138.2	-167.8	-55.6	173.1	105.8	0	0	113.8
473	E	32.6	Very low	30.8	Very low	181 Å²	181	153.9 Å²	153.9	85%	0.846	81%	0.814	S	S	*	*				-152.6	100.1	127	-123.9	-169.8	163.3	0	0	113.5
474	K	29.1	Very low	30.4	Very low	190 Å²	190	153.7 Å²	153.7	83%	0.826	82%	0.818	S	S	*	*			trans	48.5	80.2	135.2	-164.6	177.6	-176.6	171.6	0	118.5
475	L	29.1	Very low	30	Very low	162 Å²	162	154.2 Å²	154.2	85%	0.848	81%	0.812	S	S	*	*			trans	-151.7	146.4	150.5	-114.7	156.4	0	0	0	112	V477	L475-V477 PolarHBondContact O-N 2.95Å
476	E	25.7	Very low	29.7	Very low	189 Å²	189	157 Å²	157	88%	0.883	81%	0.814	S	S	*	*			trans	-74.4	121.1	-167.1	-58.1	168.9	146.6	0	0	112.1
477	V	29.6	Very low	29.1	Very low	117 Å²	117	155.6 Å²	155.6	71%	0.709	81%	0.806	S	S	*	*			trans	-132.4	126.4	174.6	-173.5	0	0	0	0	111.2	L475	L475-V477 PolarHBondContact O-N 2.95Å
478	V	26.5	Very low	29.1	Very low	138 Å²	138	153.6 Å²	153.6	84%	0.836	81%	0.806	S	S	*	*			trans	-78.2	123.3	177.6	175.5	0	0	0	0	110.5
479	H	26	Very low	28.7	Very low	161 Å²	161	152.3 Å²	152.3	75%	0.745	80%	0.798	S	S	*	*			trans	-133.6	160.5	165.1	-88.8	-75.3	0	0	0	111.9
480	P	29.9	Very low	28.7	Very low	102 Å²	102	149 Å²	149	66%	0.662	79%	0.79	S	S	*	*			trans	-111.8	-177	-142.4	42.5	-37.9	0	0	0	115.2
481	S	27.3	Very low	28.4	Very low	123 Å²	123	148.5 Å²	148.5	86%	0.86	79%	0.788	S	S	*	*			trans	81.4	138.5	178.3	-41.1	0	0	0	0	113.7
482	G	25	Very low	28	Very low	65 Å²	65	145.9 Å²	145.9	67%	0.67	78%	0.78	S	S	*	*			cis	148.1	105.3	-4.4	0	0	0	0	0	110.7
483	I	25	Very low	28	Very low	169 Å²	169	145.1 Å²	145.1	87%	0.867	77%	0.769	S	S	*	*			trans	64.1	76.7	-177.9	-44.2	170.9	0	0	0	112.7
484	N	27.1	Very low	27.9	Very low	162 Å²	162	144.6 Å²	144.6	87%	0.866	77%	0.767	S	S	*	*			trans	-160.1	86.6	148.5	-106.2	-16.7	0	0	0	110.8
485	K	31.2	Very low	27.9	Very low	184 Å²	184	143.2 Å²	143.2	80%	0.8	77%	0.768	S	S	*	*			trans	-167.6	109.9	155.7	-111.7	170.1	-175.3	-179.9	0	108.2	D487	K485-D487 VanDerWaalsContact C-N 3.3Å; K485-D487 PolarHBondContact O-N 2.79Å
486	V	28.6	Very low	27.9	Very low	132 Å²	132	142.3 Å²	142.3	80%	0.8	77%	0.769	S	S	*	*			trans	-77.2	94.3	159.8	176.5	0	0	0	0	104.9	I488	V486-I488 VanDerWaalsContact C-N 3.29Å; V486-I488 PolarHBondContact O-N 3.45Å
487	D	27.3	Very low	28	Very low	127 Å²	127	141.4 Å²	141.4	68%	0.679	77%	0.77	S	S	*	*			trans	-61.4	97.6	170.1	-73.2	-24.5	0	0	0	107.6	K485 I489	K485-D487 VanDerWaalsContact C-N 3.3Å; K485-D487 PolarHBondContact O-N 2.79Å; D487-I489 PolarHBondContact O-N 3.49Å
488	I	28.2	Very low	27.8	Very low	135 Å²	135	143.9 Å²	143.9	69%	0.692	78%	0.778	S	S	*	*			trans	-63.4	97	163.5	-62.4	178.8	0	0	0	104.8	V486 T490	V486-I488 VanDerWaalsContact C-N 3.29Å; V486-I488 PolarHBondContact O-N 3.45Å; I488-T490 VanDerWaalsContact C-N 3.28Å; I488-T490 PolarHBondContact O-N 3.13Å
489	I	28.2	Very low	27.9	Very low	134 Å²	134	143.1 Å²	143.1	69%	0.687	78%	0.779	S	S	*	*			trans	-66.1	95.3	177.6	-58.9	177.7	0	0	0	106.6	D487 L491	D487-I489 PolarHBondContact O-N 3.49Å; I489-L491 HydrophobicContact CG2-CD2 4.41Å; I489-L491 PolarHBondContact O-N 3.23Å
490	T	28.2	Very low	28	Very low	106 Å²	106	143.7 Å²	143.7	65%	0.65	79%	0.786	S	S	*	*			trans	-50.2	109.7	166.6	-50.8	0	0	0	0	107.1	I488 N492	I488-T490 VanDerWaalsContact C-N 3.28Å; I488-T490 PolarHBondContact O-N 3.13Å; T490-N492 WeakPolarHBondContact CG2-OD1 3.33Å; T490-N492 PolarHBondContact O-N 3.06Å
491	L	26.9	Very low	28	Very low	160 Å²	160	147.2 Å²	147.2	84%	0.838	79%	0.793	S	S	*	*			trans	-75.8	71.2	-179.9	-71.6	178.7	0	0	0	108.8	I489 R493	I489-L491 HydrophobicContact CG2-CD2 4.41Å; I489-L491 PolarHBondContact O-N 3.23Å; L491-R493 PolarHBondContact O-N 3.48Å
492	N	28.3	Very low	28	Very low	134 Å²	134	148.3 Å²	148.3	72%	0.717	79%	0.789	S	S	*	*			trans	-55.5	106.4	168.6	-77.1	0.5	0	0	0	107.7	T490	T490-N492 WeakPolarHBondContact CG2-OD1 3.33Å; T490-N492 PolarHBondContact O-N 3.06Å
493	R	28	Very low	28.2	Very low	177 Å²	177	148.6 Å²	148.6	67%	0.668	79%	0.792	S	S	*	*	S	Bend	trans	-46.2	150.4	157.1	-99.9	173.1	169.6	136.3	-8.1	107.5	L491 E543	L491-R493 PolarHBondContact O-N 3.48Å; R493-E543 IonicContact CZ-OE1 2.62Å; R493-E543 IonicContact NH1-OE1 3.81Å; R493-E543 PolarHBondContact NH1-OE1 3.45Å; R493-E543 IonicContact NH2-OE1 2.66Å; R493-E543 PolarHBondContact NH2-OE1 2.88Å
494	E	30.3	Very low	28.3	Very low	170 Å²	170	148 Å²	148	79%	0.794	79%	0.791	S	S	*	*	S	Bend	trans	70.2	99.7	178.3	-53.4	165.2	-145	0	0	115.3
495	N	28.9	Very low	28.5	Very low	161 Å²	161	150.8 Å²	150.8	86%	0.861	80%	0.795	S	S	*	*	S	Bend	trans	160.2	36	142.2	-87.2	-61.8	0	0	0	114.7
496	T	30	Very low	28.4	Very low	142 Å²	142	149 Å²	149	87%	0.871	80%	0.795	S	S	*	*	S	Bend	trans	-142.3	21.1	167.6	-28.4	0	0	0	0	115.1
497	L	27.2	Very low	28.4	Very low	171 Å²	171	147.3 Å²	147.3	90%	0.895	79%	0.788	S	S	*	*	S	Bend	trans	-118.9	57.2	173.4	-82.5	174.1	0	0	0	111.3
498	L	26.5	Very low	28.6	Very low	169 Å²	169	148 Å²	148	89%	0.885	80%	0.797	S	S	*	*			trans	-164	62.7	174	-111.2	167.5	0	0	0	113.1
499	S	28.5	Very low	28.6	Very low	121 Å²	121	146.8 Å²	146.8	85%	0.846	80%	0.801	S	S	*	*			trans	-161.4	44.7	172.6	-88.9	0	0	0	0	115.7
500	I	27.9	Very low	28.8	Very low	173 Å²	173	146 Å²	146	89%	0.887	81%	0.807	S	S	*	*			trans	-128.5	79.1	157.2	-54.7	-178.7	0	0	0	107.3
501	H	28.6	Very low	28.8	Very low	176 Å²	176	146.3 Å²	146.3	82%	0.815	81%	0.814	S	S	*	*			trans	-71.9	146.4	175.5	-169.5	-79.3	0	0	0	110.4
502	N	27.3	Very low	29.1	Very low	147 Å²	147	144.4 Å²	144.4	79%	0.786	81%	0.814	S	S	*	*			trans	-59.4	143.5	177.4	-61.6	-49.5	0	0	0	111.7
503	G	30.1	Very low	29.1	Very low	70 Å²	70	144.4 Å²	144.4	72%	0.722	82%	0.818	S	S	*	*			trans	-170.5	109	176	0	0	0	0	0	110.3
504	D	27.6	Very low	29.2	Very low	158 Å²	158	144.5 Å²	144.5	85%	0.845	83%	0.83	S	S	*	*			trans	-63.7	140.2	-173	-53.2	-79.1	0	0	0	112.7
505	F	30.1	Very low	29.4	Very low	219 Å²	219	142 Å²	142	96%	0.961	83%	0.832	S	S	*	*			trans	-147.8	108.8	153.8	-109.3	-68.8	0	0	0	112.4
506	D	28.9	Very low	29.5	Very low	147 Å²	147	142.8 Å²	142.8	79%	0.786	83%	0.828	S	S	*	*			trans	-84.2	162.4	-174	-137.8	-32.9	0	0	0	113.4
507	S	29.7	Very low	30	Very low	96 Å²	96	145 Å²	145	67%	0.671	83%	0.828	S	S	*	*			trans	57.9	100.5	158.8	71.8	0	0	0	0	120
508	V	32.1	Very low	30.2	Very low	143 Å²	143	141.6 Å²	141.6	87%	0.867	81%	0.81	S	S	*	*			trans	-143.9	96.1	130.3	-161.9	0	0	0	0	110.7
509	S	27.6	Very low	30.4	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	81%	0.809	S	S	*	*			trans	-84.7	137.4	170.7	-60.8	0	0	0	0	110.8
510	S	33.1	Very low	30.5	Very low	116 Å²	116	141.4 Å²	141.4	81%	0.811	80%	0.804	S	S	*	*			trans	-159.1	88.2	173.7	-78.6	0	0	0	0	111.8
511	S	28	Very low	30.6	Very low	114 Å²	114	142 Å²	142	80%	0.797	80%	0.803	S	S	*	*			trans	-73.2	148.8	177.5	-53.1	0	0	0	0	112.7
512	S	31.8	Very low	30.7	Very low	120 Å²	120	138 Å²	138	84%	0.839	80%	0.801	S	S	*	*			trans	-137.3	112	158.6	59.9	0	0	0	0	109.2
513	T	28.4	Very low	30.8	Very low	133 Å²	133	135.3 Å²	135.3	82%	0.816	79%	0.793	S	S	*	*			trans	-77.7	156.6	-179.3	42.3	0	0	0	0	112.4
514	I	31.6	Very low	31	Very low	179 Å²	179	140.3 Å²	140.3	92%	0.918	80%	0.798	S	S	*	*			trans	-154	158.9	142.2	-107.4	157.1	0	0	0	108.5
515	S	33	Very low	31.1	Very low	119 Å²	119	140.6 Å²	140.6	83%	0.832	80%	0.798	S	S	*	*			trans	-79.6	168.7	-150.7	-155.1	0	0	0	0	116.9
516	K	32.7	Very low	31.1	Very low	177 Å²	177	136 Å²	136	77%	0.77	79%	0.791	S	S	*	*			trans	-96.6	156.6	173.2	-57.4	173.8	-180	176.1	0	111.7
517	H	38.4	Very low	31.1	Very low	189 Å²	189	134.6 Å²	134.6	88%	0.875	79%	0.792	S	S	*	*			trans	-151.6	110.4	133.9	-120.1	-93.9	0	0	0	106.1
518	N	33.2	Very low	31.1	Very low	99 Å²	99	137.8 Å²	137.8	53%	0.529	80%	0.8	S	S	.	*			cis	96.3	101.4	42	-168.6	84.3	0	0	0	112.9
519	C	29.6	Very low	31	Very low	126 Å²	126	133.4 Å²	133.4	85%	0.851	78%	0.784	S	S	*	*			trans	-143.3	152.1	149.9	-87.8	0	0	0	0	108.4
520	Q	30	Very low	31.1	Very low	160 Å²	160	134.6 Å²	134.6	75%	0.748	79%	0.789	S	S	*	*			trans	-91.6	178.5	172.9	-70.6	137.6	-96.6	0	0	108.6
521	E	31.4	Very low	30.9	Very low	184 Å²	184	137.9 Å²	137.9	86%	0.86	79%	0.791	S	S	*	*			cis	-137.4	152.5	30.2	-72.3	156.5	132.5	0	0	109.6
522	A	30.1	Very low	31	Very low	94 Å²	94	141.9 Å²	141.9	78%	0.777	80%	0.795	S	S	*	*				55.2	132.8	66.6	0	0	0	0	0	113.9
523	S	30.2	Very low	30.9	Very low	89 Å²	89	144 Å²	144	62%	0.622	79%	0.793	S	S	*	*			cis	-160.8	153	-11.9	36.7	0	0	0	0	107.3
524	H	34	Very low	31	Very low	176 Å²	176	144.2 Å²	144.2	82%	0.815	79%	0.789	S	S	*	*				-175.4	166	71.8	-87.6	-87.7	0	0	0	110.9
525	L	29.4	Very low	30.9	Very low	163 Å²	163	144 Å²	144	85%	0.853	79%	0.79	S	S	*	*			trans	-119.5	148.6	163.2	-74.6	169.3	0	0	0	109.9
526	P	30.7	Very low	30.8	Very low	124 Å²	124	143 Å²	143	81%	0.805	78%	0.783	S	S	*	*			trans	-83.4	145.6	146.7	-5.1	24.6	0	0	0	110.1
527	S	27.5	Very low	30.8	Very low	117 Å²	117	143.5 Å²	143.5	82%	0.818	79%	0.785	S	S	*	*			trans	-95.2	135.2	176.4	-173.8	0	0	0	0	110.8
528	I	31.4	Very low	30.5	Very low	162 Å²	162	143.5 Å²	143.5	83%	0.831	79%	0.785	S	S	*	*			trans	-124	140.7	161.9	-63.2	-179.4	0	0	0	106.9
529	G	29.9	Very low	30.4	Very low	51 Å²	51	144.6 Å²	144.6	53%	0.526	79%	0.79	S	S	.	*			trans	-73.7	171.8	-168.8	0	0	0	0	0	114.9	E531	G529-E531 PolarHBondContact O-N 3.33Å; G529-E531 VanDerWaalsContact O-N 3.13Å
530	P	29.6	Very low	30.5	Very low	134 Å²	134	145.4 Å²	145.4	87%	0.87	79%	0.786	S	S	*	*			trans	-77.7	96.6	178.7	32	-33.5	0	0	0	110.9
531	E	29.1	Very low	30.7	Very low	185 Å²	185	145.1 Å²	145.1	86%	0.864	78%	0.779	S	S	*	*			trans	-69.4	146.8	161.7	-71.7	-162.9	126.4	0	0	111	G529	G529-E531 PolarHBondContact O-N 3.33Å; G529-E531 VanDerWaalsContact O-N 3.13Å
532	K	28.8	Very low	31	Very low	199 Å²	199	143.4 Å²	143.4	87%	0.865	78%	0.776	S	S	*	*			trans	-79.2	125.1	178.9	-56.2	168.3	-173.4	171.4	0	107.8
533	M	29.9	Very low	31.4	Very low	163 Å²	163	145.7 Å²	145.7	80%	0.803	77%	0.77	S	S	*	*			trans	-105.7	126.2	162.7	-68.5	-160.3	77.9	0	0	108.9
534	D	30.7	Very low	32.1	Very low	138 Å²	138	147.2 Å²	147.2	74%	0.738	77%	0.77	S	S	*	*			trans	-70.6	144.9	179.8	-70.5	-62.4	0	0	0	112.5	S536	D534-S536 VanDerWaalsContact C-N 3.28Å; D534-S536 PolarHBondContact O-N 3.09Å
535	N	29.1	Very low	32.8	Very low	176 Å²	176	142.6 Å²	142.6	94%	0.941	75%	0.752	S	S	*	*	S	Bend	trans	-84.7	67.4	178.7	-73.1	-50.4	0	0	0	111
536	S	31.2	Very low	33.5	Very low	97 Å²	97	140.6 Å²	140.6	68%	0.678	74%	0.741	S	S	*	*			trans	-141.4	40.2	178.2	52.9	0	0	0	0	113.1	D534 E538	D534-S536 VanDerWaalsContact C-N 3.28Å; D534-S536 PolarHBondContact O-N 3.09Å; S536-E538 VanDerWaalsContact C-N 3.3Å; S536-E538 PolarHBondContact O-N 2.74Å
537	K	32.3	Very low	34.1	Very low	188 Å²	188	140 Å²	140	82%	0.817	73%	0.73	S	S	*	*			trans	-85	81.2	159.3	-72.5	-160.5	173	-167.5	0	109.8	I539	K537-I539 PolarHBondContact O-N 3.41Å
538	E	31.8	Very low	35.1	Very low	188 Å²	188	140.7 Å²	140.7	88%	0.879	72%	0.72	S	S	*	*			trans	-52.2	128.9	160	-164.6	149	-131.4	0	0	108.3	S536 D540	S536-E538 VanDerWaalsContact C-N 3.3Å; S536-E538 PolarHBondContact O-N 2.74Å; E538-D540 PolarHBondContact O-N 2.87Å
539	I	30.9	Very low	35.6	Very low	122 Å²	122	134.7 Å²	134.7	63%	0.626	69%	0.687	S	S	*	*			trans	-85	98.9	-179.3	-62	176.3	0	0	0	105.7	K537 Y541	K537-I539 PolarHBondContact O-N 3.41Å; I539-Y541 HydrophobicContact CB-CE2 4.16Å; I539-Y541 HydrophobicContact CG2-CD2 4.23Å; I539-Y541 HydrophobicContact CG2-CE2 3.86Å; I539-Y541 WeakPolarHBondContact O-CD2 3.17Å; I539-Y541 PolarHBondContact O-N 3.09Å
540	D	33.7	Very low	36.2	Very low	143 Å²	143	135.7 Å²	135.7	77%	0.765	68%	0.678	S	S	*	*			trans	-58.6	130.3	171.7	-157.6	-6.9	0	0	0	109.2	E538	E538-D540 PolarHBondContact O-N 2.87Å
541	Y	32.8	Very low	37	Very low	154 Å²	154	133.4 Å²	133.4	60%	0.604	65%	0.654	S	S	*	*			trans	-115.8	93.3	-178.8	-84.9	-84.8	0	0	0	106.9	I539 E543	I539-Y541 HydrophobicContact CB-CE2 4.16Å; I539-Y541 HydrophobicContact CG2-CD2 4.23Å; I539-Y541 HydrophobicContact CG2-CE2 3.86Å; I539-Y541 WeakPolarHBondContact O-CD2 3.17Å; I539-Y541 PolarHBondContact O-N 3.09Å; Y541-E543 PolarHBondContact O-N 3.11Å
542	D	37.5	Very low	37.7	Very low	149 Å²	149	126.3 Å²	126.3	80%	0.797	63%	0.627	S	S	*	*			trans	-38.5	109.4	176.3	-55.2	-55.4	0	0	0	110.2	I544	D542-I544 PolarHBondContact O-N 3.28Å; D542-I544 VanDerWaalsContact O-N 3.17Å
543	E	40	Very low	38.1	Very low	141 Å²	141	117 Å²	117	66%	0.659	59%	0.587	S	S	*	*			trans	-68.3	118.1	-175	-166.7	142.6	-95.4	0	0	108.2	R493 Y541 N545	R493-E543 IonicContact CZ-OE1 2.62Å; R493-E543 IonicContact NH1-OE1 3.81Å; R493-E543 PolarHBondContact NH1-OE1 3.45Å; R493-E543 IonicContact NH2-OE1 2.66Å; R493-E543 PolarHBondContact NH2-OE1 2.88Å; Y541-E543 PolarHBondContact O-N 3.11Å; E543-N545 PolarHBondContact O-N 2.71Å
544	I	43.1	Very low	38.5	Very low	121 Å²	121	112.9 Å²	112.9	62%	0.621	57%	0.568	S	S	*	*			trans	-64.7	102.6	-166.7	-59.1	176.5	0	0	0	108.7	D542 L546	D542-I544 PolarHBondContact O-N 3.28Å; D542-I544 VanDerWaalsContact O-N 3.17Å; I544-L546 WeakPolarHBondContact O-CD1 3.45Å; I544-L546 PolarHBondContact O-N 2.97Å
545	N	48.9	Very low	38.8	Very low	79 Å²	79	113.7 Å²	113.7	42%	0.422	57%	0.567	S	S	.	*			trans	-67.3	98.4	178.3	-175.1	-21.3	0	0	0	109.3	E543 I547 E548 Y549	E543-N545 PolarHBondContact O-N 2.71Å; N545-I547 PolarHBondContact O-N 2.7Å; N545-I547 VanDerWaalsContact O-N 3.08Å; N545-I547 WeakPolarHBondContact OD1-CB 3.37Å; N545-I547 PolarHBondContact OD1-N 3.18Å; N545-I547 VanDerWaalsContact OD1-N 3.09Å; N545-E548 HydrophobicContact CB-CB 4.23Å; N545-E548 HydrophobicContact CB-CG 4.34Å; N545-E548 PolarHBondContact O-N 2.76Å; N545-E548 PolarHBondContact OD1-N 2.96Å; N545-Y549 VanDerWaalsContact O-CB 3.31Å; N545-Y549 WeakPolarHBondContact O-CB 3.46Å; N545-Y549 PolarHBondContact O-N 3.48Å
546	L	44.1	Very low	39.1	Very low	121 Å²	121	109 Å²	109	63%	0.634	55%	0.548	S	S	*	.	H	α-helix	trans	-55.6	-28.1	-178.4	-89.6	90	0	0	0	112.3	I544 F550	I544-L546 WeakPolarHBondContact O-CD1 3.45Å; I544-L546 PolarHBondContact O-N 2.97Å; L546-F550 WeakPolarHBondContact O-CB 3.24Å; L546-F550 PolarHBondContact O-N 3.09Å
547	I	44.2	Very low	39	Very low	112 Å²	112	107.7 Å²	107.7	57%	0.574	53%	0.533	S	S	*	.	H	α-helix	trans	-75.9	-45.1	-178.9	-68.2	165.6	0	0	0	111.4	N545 Y549 F550 K551	N545-I547 PolarHBondContact O-N 2.7Å; N545-I547 VanDerWaalsContact O-N 3.08Å; N545-I547 WeakPolarHBondContact OD1-CB 3.37Å; N545-I547 PolarHBondContact OD1-N 3.18Å; N545-I547 VanDerWaalsContact OD1-N 3.09Å; I547-Y549 VanDerWaalsContact C-N 3.25Å; I547-Y549 PolarHBondContact O-N 3.06Å; I547-F550 PolarHBondContact O-N 3.1Å; I547-K551 HydrophobicContact CG2-CD 4.32Å; I547-K551 WeakPolarHBondContact O-CB 3.48Å; I547-K551 VanDerWaalsContact O-CG 3.26Å; I547-K551 WeakPolarHBondContact O-CG 3.42Å; I547-K551 PolarHBondContact O-N 2.93Å
548	E	47.9	Very low	39	Very low	131 Å²	131	104.7 Å²	104.7	61%	0.612	53%	0.53	S	S	*	.	H	α-helix	trans	-61.3	-39.9	170.2	-76.4	-165.8	121.7	0	0	111.3	N545 K551 A552	N545-E548 HydrophobicContact CB-CB 4.23Å; N545-E548 HydrophobicContact CB-CG 4.34Å; N545-E548 PolarHBondContact O-N 2.76Å; N545-E548 PolarHBondContact OD1-N 2.96Å; E548-K551 PolarHBondContact O-N 3.4Å; E548-A552 VanDerWaalsContact O-CB 3.23Å; E548-A552 WeakPolarHBondContact O-CB 3.32Å; E548-A552 PolarHBondContact O-N 2.91Å
549	Y	42.4	Very low	38.7	Very low	36 Å²	36	103 Å²	103	14%	0.141	53%	0.526	C	S	.	.	H	α-helix	trans	-64.1	-43.9	179	174.7	-86.2	0	0	0	112.3	I73 K76 S77 V80 N545 I547 A552 A553	I73-Y549 HydrophobicContact CG2-CE1 4.28Å; I73-Y549 PolarHBondContact O-OH 3.24Å; K76-Y549 HydrophobicContact CB-CE2 4.29Å; K76-Y549 WeakPolarHBondContact CB-OH 3.35Å; K76-Y549 HydrophobicContact CG-CD2 4.46Å; K76-Y549 HydrophobicContact CG-CE2 3.64Å; S77-Y549 WeakPolarHBondContact CA-OH 3.36Å; S77-Y549 WeakPolarHBondContact CB-OH 3.49Å; S77-Y549 PolarHBondContact N-OH 2.91Å; V80-Y549 HydrophobicContact CG2-CE2 4.41Å; N545-Y549 VanDerWaalsContact O-CB 3.31Å; N545-Y549 WeakPolarHBondContact O-CB 3.46Å; N545-Y549 PolarHBondContact O-N 3.48Å; I547-Y549 VanDerWaalsContact C-N 3.25Å; I547-Y549 PolarHBondContact O-N 3.06Å; Y549-A552 CarbonylContact O-C 3.59Å; Y549-A552 PolarHBondContact O-N 3.24Å; Y549-A553 PolarHBondContact O-N 3.05Å
550	F	41.9	Very low	38.6	Very low	73 Å²	73	104 Å²	104	32%	0.32	53%	0.533	S	S	.	.	H	α-helix	trans	-61.9	-49.3	172.7	-109.6	-95.6	0	0	0	111.5	I69 I73 L546 I547 A552 A553 L554	I69-F550 HydrophobicContact CG2-CE1 4.34Å; I73-F550 HydrophobicContact CD1-CD1 4.4Å; I73-F550 HydrophobicContact CD1-CE1 3.64Å; I73-F550 HydrophobicContact CD1-CE2 3.91Å; I73-F550 HydrophobicContact CD1-CZ 3.36Å; I73-F550 HydrophobicContact CG1-CZ 4.4Å; L546-F550 WeakPolarHBondContact O-CB 3.24Å; L546-F550 PolarHBondContact O-N 3.09Å; I547-F550 PolarHBondContact O-N 3.1Å; F550-A552 PolarHBondContact O-N 3.35Å; F550-A553 PolarHBondContact O-N 2.82Å; F550-L554 PolarHBondContact O-N 3.33Å
551	K	45.7	Very low	38.4	Very low	85 Å²	85	103.6 Å²	103.6	37%	0.37	53%	0.526	S	S	.	.	H	α-helix	trans	-53.6	-43	174.4	-73	170.9	179	-178.3	0	111	I547 E548 A553 H555	I547-K551 HydrophobicContact CG2-CD 4.32Å; I547-K551 WeakPolarHBondContact O-CB 3.48Å; I547-K551 VanDerWaalsContact O-CG 3.26Å; I547-K551 WeakPolarHBondContact O-CG 3.42Å; I547-K551 PolarHBondContact O-N 2.93Å; E548-K551 PolarHBondContact O-N 3.4Å; K551-A553 VanDerWaalsContact C-N 3.32Å; K551-A553 PolarHBondContact O-N 3.31Å; K551-H555 WeakPolarHBondContact O-CB 3.42Å; K551-H555 PolarHBondContact O-N 3.36Å; K551-H555 VanDerWaalsContact O-N 3.11Å
552	A	44.4	Very low	38.2	Very low	37 Å²	37	103.2 Å²	103.2	31%	0.306	54%	0.535	S	S	.	.	H	α-helix	trans	-76	-11.2	178.4	0	0	0	0	0	114.9	K76 E548 Y549 F550	K76-A552 WeakPolarHBondContact CE-O 3.37Å; K76-A552 PolarHBondContact NZ-O 3.03Å; E548-A552 VanDerWaalsContact O-CB 3.23Å; E548-A552 WeakPolarHBondContact O-CB 3.32Å; E548-A552 PolarHBondContact O-N 2.91Å; Y549-A552 CarbonylContact O-C 3.59Å; Y549-A552 PolarHBondContact O-N 3.24Å; F550-A552 PolarHBondContact O-N 3.35Å
553	A	37.2	Very low	37.7	Very low	2 Å²	2	103.6 Å²	103.6	2%	0.017	54%	0.537	C	S	.	.	H	α-helix	trans	-89.9	-49	171.2	0	0	0	0	0	110.7	K76 Y549 F550 K551 H555 S556	K76-A553 HydrophobicContact CB-CB 4.46Å; K76-A553 HydrophobicContact CG-CB 4.43Å; Y549-A553 PolarHBondContact O-N 3.05Å; F550-A553 PolarHBondContact O-N 2.82Å; K551-A553 VanDerWaalsContact C-N 3.32Å; K551-A553 PolarHBondContact O-N 3.31Å; A553-H555 PolarHBondContact O-N 3.1Å; A553-S556 PolarHBondContact O-N 3.06Å; A553-S556 PolarHBondContact O-OG 2.77Å
554	L	37.8	Very low	37.4	Very low	77 Å²	77	102.8 Å²	102.8	40%	0.403	54%	0.536	S	S	.	.	H	α-helix	trans	-57	-37.1	175.2	-65.8	173.8	0	0	0	111.8	I69 F550 S556 L557	I69-L554 HydrophobicContact CD1-CD2 4.08Å; I69-L554 HydrophobicContact CG1-CD2 4.06Å; F550-L554 PolarHBondContact O-N 3.33Å; L554-S556 PolarHBondContact O-N 3.45Å; L554-L557 HydrophobicContact CD2-CD1 4.24Å; L554-L557 PolarHBondContact O-N 2.88Å; L554-L557 VanDerWaalsContact O-N 3.13Å
555	H	38.9	Very low	36.7	Very low	156 Å²	156	104.6 Å²	104.6	72%	0.722	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-11.9	173.5	-113.8	-59.9	0	0	0	115.9	K551 A553	K551-H555 WeakPolarHBondContact O-CB 3.42Å; K551-H555 PolarHBondContact O-N 3.36Å; K551-H555 VanDerWaalsContact O-N 3.11Å; A553-H555 PolarHBondContact O-N 3.1Å
556	S	34.4	Very low	35.9	Very low	77 Å²	77	102.7 Å²	102.7	54%	0.538	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-3.2	178.2	63	0	0	0	0	115.3	A553 L554	A553-S556 PolarHBondContact O-N 3.06Å; A553-S556 PolarHBondContact O-OG 2.77Å; L554-S556 PolarHBondContact O-N 3.45Å
557	L	29.1	Very low	35.9	Very low	69 Å²	69	100.4 Å²	100.4	36%	0.361	54%	0.539	S	S	.	.			trans	-90.4	-1.9	-173.9	-68.6	172.5	0	0	0	115.1	V68 A72 L554	V68-L557 HydrophobicContact CG1-CD1 4.08Å; V68-L557 HydrophobicContact CG1-CD2 3.59Å; V68-L557 HydrophobicContact CG1-CG 4.49Å; A72-L557 HydrophobicContact CB-CD2 4.29Å; L554-L557 HydrophobicContact CD2-CD1 4.24Å; L554-L557 PolarHBondContact O-N 2.88Å; L554-L557 VanDerWaalsContact O-N 3.13Å
558	V	31.9	Very low	35.9	Very low	125 Å²	125	95.9 Å²	95.9	76%	0.758	52%	0.516	S	S	*	.			trans	-81.7	120.6	-175.6	-174.4	0	0	0	0	111.7
559	L	26.9	Very low	36.1	Very low	152 Å²	152	96.7 Å²	96.7	80%	0.796	51%	0.513	S	S	*	.			trans	-100.1	132.6	-178.2	-80	165.4	0	0	0	113.2
560	N	27.8	Very low	37.1	Very low	143 Å²	143	95 Å²	95	77%	0.765	51%	0.507	S	S	*	.			trans	32.7	109.3	159.9	-70.5	-23.5	0	0	0	120.4	N562	N560-N562 PolarHBondContact O-N 3.46Å
561	E	29.3	Very low	38.5	Very low	136 Å²	136	92.5 Å²	92.5	64%	0.636	50%	0.497	S	S	*	.			trans	-51.7	125.7	157	-57.2	173.5	149.8	0	0	111.8	K649	E561-K649 IonicContact OE1-NZ 3.14Å; E561-K649 PolarHBondContact OE1-NZ 2.85Å
562	N	28.3	Very low	39.9	Very low	145 Å²	145	88.5 Å²	88.5	78%	0.775	48%	0.479	S	S	*	.			trans	-163.9	127.3	156.1	-91.8	-55.7	0	0	0	111.8	N560	N560-N562 PolarHBondContact O-N 3.46Å
563	N	28.6	Very low	41.7	Very low	157 Å²	157	90 Å²	90	84%	0.84	48%	0.477	S	S	*	.			trans	54.1	81.4	165.8	-63.5	-18.5	0	0	0	118.9
564	I	32.6	Very low	43.9	Very low	124 Å²	124	89.9 Å²	89.9	64%	0.636	48%	0.476	S	S	*	.			trans	-128.3	127.9	143.6	-53.5	177.2	0	0	0	107.6	E681	I564-E681 HydrophobicContact CD1-CG 4.49Å; I564-E681 WeakPolarHBondContact CD1-OE1 3.43Å
565	N	28.9	Very low	45.9	Very low	159 Å²	159	88.3 Å²	88.3	85%	0.85	47%	0.471	S	S	*	.			trans	-139.7	65.5	-174.7	-143.3	4.5	0	0	0	109.8
566	G	32.7	Very low	47.9	Very low	39 Å²	39	81.3 Å²	81.3	40%	0.402	44%	0.439	S	S	.	.	S	Bend	trans	-133	176.8	175.3	0	0	0	0	0	111.4	K645	G566-K645 WeakPolarHBondContact O-CE 3.3Å
567	C	43.2	Very low	50.1	Low	73 Å²	73	80.2 Å²	80.2	49%	0.493	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-101.7	133.4	161.1	-67.4	0	0	0	0	106.8
568	L	44.2	Very low	52.4	Low	18 Å²	18	77.8 Å²	77.8	9%	0.094	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.4	-172.4	-61.5	164.2	0	0	0	110.6	L644 I678 E680 E681	L568-L644 PolarHBondContact N-O 3.32Å; L568-L644 PolarHBondContact O-N 2.96Å; L568-I678 HydrophobicContact CB-CG2 4.09Å; L568-I678 HydrophobicContact CD1-CG2 4.13Å; L568-I678 HydrophobicContact CD2-CG2 4.43Å; L568-I678 HydrophobicContact CG-CG2 4.44Å; L568-E680 WeakPolarHBondContact CA-OE2 3.24Å; L568-E680 HydrophobicContact CD2-CB 3.96Å; L568-E681 VanDerWaalsContact CD1-CD 3.42Å; L568-E681 HydrophobicContact CD1-CG 3.82Å; L568-E681 WeakPolarHBondContact CD1-OE1 3.44Å; L568-E681 HydrophobicContact CD2-CG 3.73Å; L568-E681 HydrophobicContact CG-CG 4.42Å
569	R	53.1	Low	54.7	Low	147 Å²	147	75.4 Å²	75.4	56%	0.555	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	142.3	162.1	-81	179.3	-78.1	-175.4	-1.7	109.9	P679 E680	R569-P679 WeakPolarHBondContact O-CD 3.38Å; R569-E680 IonicContact CZ-OE1 2.65Å; R569-E680 PolarHBondContact N-OE2 3.07Å; R569-E680 IonicContact NE-OE1 2.7Å; R569-E680 PolarHBondContact NE-OE1 2.91Å; R569-E680 IonicContact NH2-OE1 3.77Å; R569-E680 PolarHBondContact NH2-OE1 3.32Å
570	C	62.6	Low	56.8	Low	2 Å²	2	75.9 Å²	75.9	1%	0.014	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151.9	-177.7	-179.8	0	0	0	0	110.3	L641 L644 I646 L676 E677	C570-L641 HydrophobicContact CB-CB 4.41Å; C570-L641 PolarHBondContact N-O 2.93Å; C570-L641 WeakPolarHBondContact O-CA 3.25Å; C570-L641 PolarHBondContact O-N 2.9Å; C570-L641 VanDerWaalsContact O-O 3.08Å; C570-L644 HydrophobicContact CB-CB 4.22Å; C570-L644 HydrophobicContact CB-CD2 3.94Å; C570-L644 HydrophobicContact CB-CG 4.45Å; C570-I646 HydrophobicContact CB-CD1 4.12Å; C570-I646 VanDerWaalsContact SG-CD1 3.55Å; C570-L676 WeakPolarHBondContact SG-CD2 3.49Å; C570-E677 CarbonylContact C-O 3.57Å; C570-E677 WeakPolarHBondContact CA-O 3.49Å; C570-E677 PolarHBondContact SG-O 3.22Å
571	I	70.4	Confident	58.9	Low	20 Å²	20	73.8 Å²	73.8	10%	0.103	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.7	176.5	-49.6	-178.4	0	0	0	108.8	R638 E677 P679	I571-R638 HydrophobicContact CG2-CG 3.67Å; I571-E677 HydrophobicContact CB-CB 4.19Å; I571-E677 PolarHBondContact N-O 2.69Å; I571-E677 PolarHBondContact O-N 2.7Å; I571-P679 HydrophobicContact CD1-CG 4.07Å; I571-P679 HydrophobicContact CG1-CG 4.32Å
572	I	75.8	Confident	60.8	Low	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.3	166.2	-67.2	178.1	0	0	0	108.3	L624 R638 W639 L641 F655 L674 L676	I572-L624 HydrophobicContact CD1-CD1 4.16Å; I572-R638 WeakPolarHBondContact O-CA 3.26Å; I572-W639 HydrophobicContact CB-CB 4.43Å; I572-W639 HydrophobicContact CB-CE3 4.12Å; I572-W639 HydrophobicContact CG2-CE3 3.65Å; I572-W639 HydrophobicContact CG2-CZ3 4Å; I572-W639 PolarHBondContact N-O 2.9Å; I572-W639 PolarHBondContact O-N 2.72Å; I572-L641 HydrophobicContact CD1-CD1 3.71Å; I572-L641 HydrophobicContact CG1-CD1 3.82Å; I572-F655 HydrophobicContact CG2-CZ 4.13Å; I572-L674 HydrophobicContact CG2-CD1 3.78Å; I572-L676 HydrophobicContact CD1-CD2 4.28Å; I572-L676 HydrophobicContact CG1-CD2 3.51Å; I572-L676 HydrophobicContact CG1-CG 4.24Å
573	W	82.5	Confident	62.6	Low	68 Å²	68	63.4 Å²	63.4	26%	0.258	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.1	165.1	-65	95.8	0	0	0	110.1	L637 R638 L674 C675 E677	W573-L637 WeakPolarHBondContact CA-O 3.28Å; W573-R638 HydrophobicContact CD2-CB 4.47Å; W573-R638 HydrophobicContact CD2-CG 4.02Å; W573-R638 HydrophobicContact CE3-CB 3.88Å; W573-R638 HydrophobicContact CE3-CG 3.85Å; W573-R638 VanDerWaalsContact CH2-CD 3.48Å; W573-R638 HydrophobicContact CH2-CG 4.08Å; W573-R638 HydrophobicContact CZ2-CG 4.2Å; W573-R638 VanDerWaalsContact CZ2-NE 3.25Å; W573-R638 HydrophobicContact CZ3-CB 3.94Å; W573-R638 HydrophobicContact CZ3-CG 3.88Å; W573-L674 WeakPolarHBondContact O-CA 3.37Å; W573-C675 HydrophobicContact CB-CB 4.26Å; W573-C675 PolarHBondContact N-O 3.22Å; W573-C675 PolarHBondContact O-N 2.77Å; W573-E677 PolarHBondContact NE1-OE2 2.75Å
574	L	82.3	Confident	64.3	Low	1 Å²	1	63.2 Å²	63.2	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113.4	169	-176.2	74.4	0	0	0	109.4	L637 W639 L658 L672 E673 L674 F701	L574-L637 HydrophobicContact CB-CB 4.32Å; L574-L637 HydrophobicContact CD2-CD1 4.38Å; L574-L637 PolarHBondContact N-O 2.79Å; L574-L637 PolarHBondContact O-N 3.19Å; L574-W639 HydrophobicContact CB-CH2 4.45Å; L574-W639 HydrophobicContact CB-CZ3 3.93Å; L574-L658 HydrophobicContact CD2-CD1 3.68Å; L574-L658 HydrophobicContact CD2-CD2 3.94Å; L574-L658 HydrophobicContact CD2-CG 4.46Å; L574-L672 HydrophobicContact CD1-CB 4.26Å; L574-L672 HydrophobicContact CD1-CD2 4.35Å; L574-L672 HydrophobicContact CD2-CD2 4.36Å; L574-L672 HydrophobicContact CG-CD2 4.37Å; L574-E673 WeakPolarHBondContact CA-O 3.5Å; L574-L674 HydrophobicContact CD1-CB 4.38Å; L574-L674 HydrophobicContact CD1-CD1 4.21Å; L574-F701 HydrophobicContact CD1-CE1 4.44Å; L574-F701 HydrophobicContact CD1-CE2 4.15Å; L574-F701 HydrophobicContact CD1-CZ 3.63Å
575	S	80.4	Confident	65.9	Low	43 Å²	43	62.5 Å²	62.5	30%	0.301	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.6	175.7	-61	0	0	0	0	110.5	L672 E673	S575-L672 WeakPolarHBondContact O-CA 3.46Å; S575-E673 PolarHBondContact N-O 2.91Å; S575-E673 PolarHBondContact O-N 2.68Å
576	I	81.2	Confident	67.6	Low	9 Å²	9	58.8 Å²	58.8	5%	0.046	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.3	-174.1	-55.4	155	0	0	0	108.6	L635 L637 L662 M664 V669 L672	I576-L635 HydrophobicContact CB-CD2 4.26Å; I576-L635 WeakPolarHBondContact CB-O 3.36Å; I576-L635 HydrophobicContact CG2-CD2 4.27Å; I576-L635 PolarHBondContact N-O 3.28Å; I576-L637 HydrophobicContact CD1-CD1 4.25Å; I576-L637 HydrophobicContact CD1-CD2 4.41Å; I576-L637 HydrophobicContact CD1-CG 4.06Å; I576-L662 HydrophobicContact CD1-CD2 3.39Å; I576-L662 HydrophobicContact CG1-CD2 4.15Å; I576-M664 HydrophobicContact CG2-SD 3.84Å; I576-V669 HydrophobicContact CG2-CG1 4.1Å; I576-V669 HydrophobicContact CG2-CG2 3.9Å; I576-L672 HydrophobicContact CB-CD2 4.33Å; I576-L672 HydrophobicContact CG1-CD2 3.79Å; I576-L672 HydrophobicContact CG2-CD2 4.33Å
577	S	79.8	Confident	68.8	Low	54 Å²	54	60.9 Å²	60.9	38%	0.378	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.6	168.6	-46.5	0	0	0	0	109.5	E670 K671	S577-E670 PolarHBondContact O-N 2.92Å; S577-K671 PolarHBondContact N-O 3.31Å; S577-K671 PolarHBondContact O-N 3.29Å
578	L	79	Confident	69.1	Low	18 Å²	18	62.1 Å²	62.1	9%	0.094	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	148.6	175.9	-78.6	169.9	0	0	0	111.6	A582 I583 Y586 L635 M664 D668	L578-A582 HydrophobicContact CD2-CB 4.15Å; L578-I583 HydrophobicContact CB-CG1 4.15Å; L578-Y586 HydrophobicContact CD1-CD2 3.77Å; L578-Y586 HydrophobicContact CD1-CG 4.11Å; L578-Y586 HydrophobicContact CD2-CD2 3.96Å; L578-Y586 HydrophobicContact CD2-CE2 4.35Å; L578-L635 HydrophobicContact CD1-CD2 4.05Å; L578-L635 HydrophobicContact CG-CD2 4.12Å; L578-M664 HydrophobicContact CD1-SD 4.41Å; L578-M664 HydrophobicContact CD2-SD 3.59Å; L578-M664 VanDerWaalsContact CD2-SD 3.59Å; L578-M664 HydrophobicContact CG-SD 4.04Å; L578-D668 HydrophobicContact CD2-CB 4.28Å; L578-D668 WeakPolarHBondContact CD2-O 3.38Å
579	K	79.4	Confident	69.2	Low	76 Å²	76	66.7 Å²	66.7	33%	0.33	33%	0.334	S	S	.	.			trans	-65.1	146.6	170.8	-69.5	170.7	179.6	151.1	0	110.6	C581 A582 I583 S667 D668 V669 E670	K579-C581 PolarHBondContact O-N 3.31Å; K579-A582 WeakPolarHBondContact O-CA 3.07Å; K579-A582 PolarHBondContact O-N 3.31Å; K579-I583 PolarHBondContact O-N 3.4Å; K579-S667 PolarHBondContact NZ-O 2.71Å; K579-D668 PolarHBondContact N-O 2.9Å; K579-V669 WeakPolarHBondContact CE-O 3.41Å; K579-V669 PolarHBondContact NZ-O 2.89Å; K579-E670 WeakPolarHBondContact CA-OE2 3.26Å; K579-E670 HydrophobicContact CG-CB 3.7Å; K579-E670 HydrophobicContact CG-CG 4.29Å
580	Q	71.7	Confident	68.8	Low	161 Å²	161	66.9 Å²	66.9	75%	0.752	35%	0.346	S	S	*	.	H	α-helix	trans	-45.5	-39.5	177.2	-147.8	86.9	25.1	0	0	113.9	A582	Q580-A582 VanDerWaalsContact C-N 3.32Å; Q580-A582 PolarHBondContact O-N 3.39Å
581	C	70.3	Confident	67.8	Low	100 Å²	100	72.9 Å²	72.9	68%	0.676	38%	0.378	S	S	*	.	H	α-helix	trans	-81.3	-0.5	-179.9	60	0	0	0	0	115.6	K579	K579-C581 PolarHBondContact O-N 3.31Å
582	A	70.6	Confident	66.4	Low	0 Å²	0	81.3 Å²	81.3	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-114	-18.1	175.1	0	0	0	0	0	113	L578 K579 Q580 M584 K585 Y586 D668	L578-A582 HydrophobicContact CD2-CB 4.15Å; K579-A582 WeakPolarHBondContact O-CA 3.07Å; K579-A582 PolarHBondContact O-N 3.31Å; Q580-A582 VanDerWaalsContact C-N 3.32Å; Q580-A582 PolarHBondContact O-N 3.39Å; A582-M584 VanDerWaalsContact C-N 3.3Å; A582-M584 PolarHBondContact O-N 2.88Å; A582-K585 WeakPolarHBondContact O-CB 3.33Å; A582-K585 PolarHBondContact O-N 2.71Å; A582-Y586 HydrophobicContact CB-CD2 4.42Å; A582-Y586 HydrophobicContact CB-CE2 4.42Å; A582-Y586 VanDerWaalsContact O-CD2 3.27Å; A582-Y586 WeakPolarHBondContact O-CD2 3.49Å; A582-D668 HydrophobicContact CB-CB 3.69Å; A582-D668 WeakPolarHBondContact CB-OD2 3.32Å
583	I	65.2	Low	64.6	Low	62 Å²	62	88.2 Å²	88.2	32%	0.318	45%	0.454	S	S	.	.	H	α-helix	trans	-51.7	-50.4	175.5	-66.2	176.9	0	0	0	110.3	L578 K579 K585 Y586 V587	L578-I583 HydrophobicContact CB-CG1 4.15Å; K579-I583 PolarHBondContact O-N 3.4Å; I583-K585 PolarHBondContact O-N 2.97Å; I583-Y586 PolarHBondContact O-N 2.93Å; I583-V587 HydrophobicContact CG2-CB 4.17Å; I583-V587 HydrophobicContact CG2-CG2 3.84Å; I583-V587 WeakPolarHBondContact O-CB 3.23Å; I583-V587 PolarHBondContact O-N 2.95Å; I583-V587 VanDerWaalsContact O-N 3.08Å
584	M	63.3	Low	62.4	Low	153 Å²	153	92.3 Å²	92.3	75%	0.754	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	18.8	177.1	-59.4	-174	77.7	0	0	115.7	A582 D588	A582-M584 VanDerWaalsContact C-N 3.3Å; A582-M584 PolarHBondContact O-N 2.88Å; M584-D588 WeakPolarHBondContact CA-OD2 3.39Å
585	K	67	Low	60.4	Low	110 Å²	110	100.2 Å²	100.2	48%	0.478	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-8.9	171.2	-51.2	179.5	-165.4	165.4	0	112.9	A582 I583 D668	A582-K585 WeakPolarHBondContact O-CB 3.33Å; A582-K585 PolarHBondContact O-N 2.71Å; I583-K585 PolarHBondContact O-N 2.97Å; K585-D668 IonicContact NZ-OD2 2.69Å; K585-D668 PolarHBondContact NZ-OD2 2.81Å
586	Y	65.4	Low	58.3	Low	80 Å²	80	106.6 Å²	106.6	31%	0.314	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	-3.3	-167.3	-63.7	-58.6	0	0	0	113.3	L578 A582 I583 M664 P665 D668	L578-Y586 HydrophobicContact CD1-CD2 3.77Å; L578-Y586 HydrophobicContact CD1-CG 4.11Å; L578-Y586 HydrophobicContact CD2-CD2 3.96Å; L578-Y586 HydrophobicContact CD2-CE2 4.35Å; A582-Y586 HydrophobicContact CB-CD2 4.42Å; A582-Y586 HydrophobicContact CB-CE2 4.42Å; A582-Y586 VanDerWaalsContact O-CD2 3.27Å; A582-Y586 WeakPolarHBondContact O-CD2 3.49Å; I583-Y586 PolarHBondContact O-N 2.93Å; Y586-M664 HydrophobicContact CE1-CB 4.31Å; Y586-M664 HydrophobicContact CE2-CB 4.18Å; Y586-P665 VanDerWaalsContact OH-CD 3.27Å; Y586-P665 WeakPolarHBondContact OH-CD 3.46Å; Y586-D668 HydrophobicContact CE2-CB 4.33Å
587	V	56.4	Low	56.1	Low	83 Å²	83	113.9 Å²	113.9	50%	0.503	59%	0.588	S	S	.	*	S	Bend	trans	-115.2	-8.9	179.7	178.2	0	0	0	0	112.4	I583	I583-V587 HydrophobicContact CG2-CB 4.17Å; I583-V587 HydrophobicContact CG2-CG2 3.84Å; I583-V587 WeakPolarHBondContact O-CB 3.23Å; I583-V587 PolarHBondContact O-N 2.95Å; I583-V587 VanDerWaalsContact O-N 3.08Å
588	D	50.3	Low	54.2	Low	100 Å²	100	123 Å²	123	54%	0.535	61%	0.614	S	S	.	*	S	Bend	trans	-100.8	3.4	-176.6	-58.7	-65.3	0	0	0	114.4	M584	M584-D588 WeakPolarHBondContact CA-OD2 3.39Å
589	D	46.3	Very low	52.1	Low	114 Å²	114	129.3 Å²	129.3	61%	0.61	65%	0.648	S	S	*	*			trans	-112.1	73.4	-179.3	-78.3	-39	0	0	0	112.2
590	D	44.9	Very low	49.7	Very low	150 Å²	150	131.7 Å²	131.7	80%	0.802	67%	0.669	S	S	*	*			trans	-105.1	13.7	164.6	-80.1	-25.6	0	0	0	112.1	E592	D590-E592 PolarHBondContact O-N 3.12Å
591	N	41.6	Very low	48	Very low	128 Å²	128	131.9 Å²	131.9	68%	0.684	67%	0.674	S	S	*	*			trans	-80.2	104.9	174.5	-62.9	-72.7	0	0	0	110.1	D593	N591-D593 PolarHBondContact O-N 3.45Å
592	E	40.9	Very low	46	Very low	197 Å²	197	135.8 Å²	135.8	92%	0.921	68%	0.682	S	S	*	*			trans	-75.4	61.2	173	-62.7	-171.1	133.4	0	0	112.2	D590	D590-E592 PolarHBondContact O-N 3.12Å
593	D	37.2	Very low	44.1	Very low	145 Å²	145	142 Å²	142	78%	0.775	72%	0.715	S	S	*	*			trans	-129.7	149.5	175.9	-87.8	-52.3	0	0	0	112.6	N591	N591-D593 PolarHBondContact O-N 3.45Å
594	D	37.4	Very low	42.6	Very low	155 Å²	155	142.9 Å²	142.9	83%	0.829	72%	0.723	S	S	*	*			trans	-47.5	131.8	-170.7	-60.1	-48.8	0	0	0	116.7
595	D	39.4	Very low	41.5	Very low	167 Å²	167	144.8 Å²	144.8	89%	0.893	73%	0.727	S	S	*	*			trans	-154.5	97.4	145.7	-117.6	-9	0	0	0	110.1
596	E	37.7	Very low	40.2	Very low	177 Å²	177	147.8 Å²	147.8	83%	0.827	74%	0.74	S	S	*	*			trans	-70.6	177.1	156.9	-63.8	-168.5	137.8	0	0	109.4
597	D	35	Very low	39.3	Very low	162 Å²	162	146.8 Å²	146.8	87%	0.866	74%	0.74	S	S	*	*			trans	64.1	79.4	176.3	-66.6	-20.8	0	0	0	118.4
598	R	38.6	Very low	39.2	Very low	246 Å²	246	148.9 Å²	148.9	93%	0.928	75%	0.745	S	S	*	*			trans	-144.3	90.8	149.9	-122.3	176.6	-163.6	176.8	11.4	116.4	T600	R598-T600 PolarHBondContact O-N 2.95Å
599	D	35	Very low	39.6	Very low	150 Å²	150	148.3 Å²	148.3	80%	0.802	74%	0.738	S	S	*	*			trans	35.3	71.4	150.1	-68.9	-25.7	0	0	0	119.2	L601	D599-L601 PolarHBondContact O-N 2.66Å
600	T	29.3	Very low	40.7	Very low	126 Å²	126	142.9 Å²	142.9	77%	0.773	71%	0.708	S	S	*	*				21.1	92.6	117.7	-47	0	0	0	0	117.1	R598 E602	R598-T600 PolarHBondContact O-N 2.95Å; T600-E602 HydrophobicContact CG2-CG 4.4Å
601	L	35.4	Very low	42	Very low	165 Å²	165	138 Å²	138	86%	0.864	68%	0.681	S	S	*	*			trans	-110.6	120.1	150.5	-94.9	165.2	0	0	0	108.6	D599 L603	D599-L601 PolarHBondContact O-N 2.66Å; L601-L603 PolarHBondContact O-N 3.29Å
602	E	28.2	Very low	43.6	Very low	182 Å²	182	131.9 Å²	131.9	85%	0.85	65%	0.648	S	S	*	*			trans	-72.1	68.9	-174.1	-64.9	-170.9	118.4	0	0	113.1	T600 T604	T600-E602 HydrophobicContact CG2-CG 4.4Å; E602-T604 PolarHBondContact O-N 2.65Å
603	L	31.6	Very low	45.2	Very low	130 Å²	130	122.6 Å²	122.6	68%	0.681	61%	0.605	S	S	*	*			trans	-66.4	124.8	161.7	-78.9	165.9	0	0	0	108.7	L601 D607	L601-L603 PolarHBondContact O-N 3.29Å; L603-D607 HydrophobicContact CD2-CB 4.24Å
604	T	32.9	Very low	46.9	Very low	80 Å²	80	115.8 Å²	115.8	49%	0.491	57%	0.568	S	S	.	*			trans	-73.4	161.9	-169.8	75.8	0	0	0	0	110.7	E602 K606 D607	E602-T604 PolarHBondContact O-N 2.65Å; T604-K606 PolarHBondContact O-N 3.33Å; T604-D607 WeakPolarHBondContact CA-OD2 3.45Å; T604-D607 WeakPolarHBondContact CB-OD2 3.4Å; T604-D607 PolarHBondContact N-OD2 3.34Å; T604-D607 PolarHBondContact O-N 3.21Å; T604-D607 PolarHBondContact OG1-OD2 2.87Å
605	K	41	Very low	48.5	Very low	194 Å²	194	111.1 Å²	111.1	84%	0.843	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	5.3	177.7	-68.2	-173.6	174.8	-176.5	0	115.2
606	K	40.3	Very low	49.8	Very low	172 Å²	172	105.5 Å²	105.5	75%	0.748	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-15.9	169.6	-75.6	-175.2	170.6	-177	0	114	T604 F609	T604-K606 PolarHBondContact O-N 3.33Å; K606-F609 VanDerWaalsContact O-CD2 3.25Å; K606-F609 WeakPolarHBondContact O-CD2 3.31Å; K606-F609 WeakPolarHBondContact O-CE2 3.44Å
607	D	46.1	Very low	50.9	Low	59 Å²	59	102.1 Å²	102.1	32%	0.316	49%	0.492	S	S	.	.	S	Bend	trans	-102.4	-5	-161.5	-52.8	-52.1	0	0	0	113.1	L603 T604 F609 N660	L603-D607 HydrophobicContact CD2-CB 4.24Å; T604-D607 WeakPolarHBondContact CA-OD2 3.45Å; T604-D607 WeakPolarHBondContact CB-OD2 3.4Å; T604-D607 PolarHBondContact N-OD2 3.34Å; T604-D607 PolarHBondContact O-N 3.21Å; T604-D607 PolarHBondContact OG1-OD2 2.87Å; D607-F609 VanDerWaalsContact C-N 3.27Å; D607-F609 PolarHBondContact O-N 2.8Å; D607-F609 VanDerWaalsContact O-N 3.16Å; D607-N660 WeakPolarHBondContact O-CB 3.4Å; D607-N660 PolarHBondContact O-ND2 3.23Å
608	Q	54.7	Low	52.2	Low	128 Å²	128	100 Å²	100	60%	0.598	48%	0.48	S	S	*	.	S	Bend	trans	-85.8	30.6	-174	-66	-173.3	-33.2	0	0	114.9
609	F	57.8	Low	53.1	Low	88 Å²	88	95.4 Å²	95.4	39%	0.386	47%	0.469	S	S	.	.			trans	-133.9	137.8	-176.8	-31.9	-67.5	0	0	0	111.8	K606 D607 V625	K606-F609 VanDerWaalsContact O-CD2 3.25Å; K606-F609 WeakPolarHBondContact O-CD2 3.31Å; K606-F609 WeakPolarHBondContact O-CE2 3.44Å; D607-F609 VanDerWaalsContact C-N 3.27Å; D607-F609 PolarHBondContact O-N 2.8Å; D607-F609 VanDerWaalsContact O-N 3.16Å; F609-V625 HydrophobicContact CB-CG1 3.68Å; F609-V625 HydrophobicContact CD1-CG1 4.25Å; F609-V625 HydrophobicContact CG-CG1 3.92Å
610	C	70.4	Confident	54.4	Low	0 Å²	0	92.8 Å²	92.8	0%	0	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	153.8	160.5	-179.5	0	0	0	0	108.4	L626 C656 V661	C610-L626 HydrophobicContact CB-CB 4.35Å; C610-L626 PolarHBondContact N-O 3.28Å; C610-L626 VanDerWaalsContact N-O 3.14Å; C610-L626 PolarHBondContact O-N 2.7Å; C610-C656 PolarHBondContact SG-O 3.11Å; C610-V661 HydrophobicContact CB-CB 4.15Å; C610-V661 HydrophobicContact CB-CG2 3.57Å
611	E	72.5	Confident	55.9	Low	46 Å²	46	89.9 Å²	89.9	22%	0.215	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	116.9	179.2	-169.7	178.4	-140.5	0	0	110.6	R623 L624 F655 C656	E611-R623 HydrophobicContact CG-CG 3.93Å; E611-R623 WeakPolarHBondContact OE1-CD 3.47Å; E611-R623 VanDerWaalsContact OE1-CG 3.24Å; E611-R623 WeakPolarHBondContact OE1-CG 3.1Å; E611-R623 IonicContact OE1-CZ 2.93Å; E611-R623 IonicContact OE1-NE 3.89Å; E611-R623 IonicContact OE1-NH1 3.49Å; E611-R623 PolarHBondContact OE1-NH1 3.31Å; E611-R623 IonicContact OE2-CZ 3.05Å; E611-R623 IonicContact OE2-NH1 3.99Å; E611-R623 PolarHBondContact OE2-NH1 3.27Å; E611-R623 IonicContact OE2-NH2 2.73Å; E611-L624 CarbonylContact C-O 3.52Å; E611-L624 VanDerWaalsContact CA-O 3.3Å; E611-L624 WeakPolarHBondContact CA-O 3.2Å; E611-F655 WeakPolarHBondContact O-CA 3.17Å; E611-C656 HydrophobicContact CB-CB 4.2Å; E611-C656 PolarHBondContact N-O 3.35Å; E611-C656 PolarHBondContact O-N 2.91Å
612	A	74.6	Confident	57.2	Low	0 Å²	0	84.6 Å²	84.6	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.2	178.1	0	0	0	0	0	111	L624 L626 D654 F655	A612-L624 HydrophobicContact CB-CB 4.29Å; A612-L624 PolarHBondContact N-O 2.79Å; A612-L624 PolarHBondContact O-N 3.43Å; A612-L626 HydrophobicContact CB-CD1 3.64Å; A612-L626 HydrophobicContact CB-CG 4.03Å; A612-D654 CarbonylContact C-O 3.48Å; A612-D654 VanDerWaalsContact CA-O 3.27Å; A612-D654 WeakPolarHBondContact CA-O 3.46Å; A612-F655 HydrophobicContact CB-CE1 4.33Å; A612-F655 HydrophobicContact CB-CE2 4.37Å; A612-F655 HydrophobicContact CB-CZ 4.25Å
613	I	74.5	Confident	58.9	Low	3 Å²	3	82.1 Å²	82.1	2%	0.015	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	106.6	-177.2	-45.2	174.6	0	0	0	108.8	R615 E620 R623 V653 D654	I613-R615 HydrophobicContact CG2-CG 4.23Å; I613-E620 HydrophobicContact CG2-CG 3.52Å; I613-E620 WeakPolarHBondContact CG2-OE2 3.16Å; I613-R623 VanDerWaalsContact CD1-NH2 3.33Å; I613-V653 WeakPolarHBondContact O-CA 3.47Å; I613-D654 HydrophobicContact CB-CB 4.21Å; I613-D654 PolarHBondContact N-O 2.95Å; I613-D654 PolarHBondContact O-N 3.48Å
614	I	73	Confident	60.5	Low	2 Å²	2	77.1 Å²	77.1	1%	0.01	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	128.4	177.1	-51.7	-175	0	0	0	108.1	L621 M622 L624 L644 I650 V653 L676	I614-L621 HydrophobicContact CG2-CB 4.48Å; I614-L621 HydrophobicContact CG2-CD1 4.26Å; I614-L621 WeakPolarHBondContact O-CA 3.12Å; I614-L621 WeakPolarHBondContact O-CB 3.32Å; I614-L621 PolarHBondContact O-N 3.46Å; I614-M622 HydrophobicContact CB-CG 4.11Å; I614-M622 HydrophobicContact CD1-CG 4.09Å; I614-M622 HydrophobicContact CD1-SD 3.91Å; I614-M622 HydrophobicContact CG1-CG 4.11Å; I614-M622 PolarHBondContact N-O 2.86Å; I614-M622 PolarHBondContact O-N 3.25Å; I614-L624 HydrophobicContact CD1-CD1 4.31Å; I614-L644 HydrophobicContact CD1-CD2 4.25Å; I614-I650 HydrophobicContact CG2-CD1 3.87Å; I614-I650 HydrophobicContact CG2-CG1 3.95Å; I614-I650 HydrophobicContact CG2-CG2 3.96Å; I614-V653 HydrophobicContact CG1-CG1 4.33Å; I614-V653 HydrophobicContact CG1-CG2 4.24Å; I614-V653 HydrophobicContact CG2-CG2 4.39Å; I614-L676 HydrophobicContact CD1-CD1 4.2Å; I614-L676 HydrophobicContact CD1-CD2 4.4Å
615	R	69.5	Low	62	Low	57 Å²	57	77.8 Å²	77.8	22%	0.215	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.8	178	-54.1	-153.6	-167.9	84.7	10.6	114.3	I613 E619 K651 Y652 D654	I613-R615 HydrophobicContact CG2-CG 4.23Å; R615-E619 CarbonylContact C-O 3.51Å; R615-E619 VanDerWaalsContact CA-O 3.22Å; R615-E619 WeakPolarHBondContact CA-O 3.25Å; R615-E619 VanDerWaalsContact CB-O 3.26Å; R615-E619 WeakPolarHBondContact CB-O 3.42Å; R615-K651 PolarHBondContact O-N 3.39Å; R615-Y652 HydrophobicContact CB-CD2 4.16Å; R615-Y652 PolarHBondContact N-O 2.82Å; R615-Y652 PolarHBondContact O-N 3.06Å; R615-D654 IonicContact CZ-OD2 2.69Å; R615-D654 IonicContact NH1-OD1 2.99Å; R615-D654 IonicContact NH1-OD2 3.33Å; R615-D654 PolarHBondContact NH1-OD2 3.5Å; R615-D654 IonicContact NH2-OD2 2.69Å; R615-D654 PolarHBondContact NH2-OD2 2.73Å
616	Q	66.8	Low	63.2	Low	48 Å²	48	68.7 Å²	68.7	22%	0.224	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	116.1	-179.6	166	170.1	1.1	0	0	108.6	D618 E619 L621 T647 K649	Q616-D618 PolarHBondContact O-N 3.22Å; Q616-E619 PolarHBondContact N-O 2.77Å; Q616-E619 PolarHBondContact O-N 2.78Å; Q616-L621 HydrophobicContact CB-CB 4.36Å; Q616-L621 HydrophobicContact CB-CD1 3.87Å; Q616-L621 HydrophobicContact CB-CG 4.01Å; Q616-T647 PolarHBondContact NE2-OG1 3.5Å; Q616-T647 PolarHBondContact OE1-OG1 2.64Å; Q616-K649 HydrophobicContact CG-CB 3.87Å
617	Q	62.1	Low	64.2	Low	106 Å²	106	64 Å²	64	50%	0.495	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	43	-178.6	-54.2	-171	2.3	0	0	113.8	E619	Q617-E619 PolarHBondContact O-N 3.03Å
618	D	63	Low	65	Low	118 Å²	118	67.4 Å²	67.4	63%	0.631	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	-3.5	-178.2	-43.5	-42.3	0	0	0	115.3	Q616 Y652	Q616-D618 PolarHBondContact O-N 3.22Å; D618-Y652 VanDerWaalsContact OD1-CE2 3.25Å; D618-Y652 WeakPolarHBondContact OD1-CE2 3.47Å
619	E	55.6	Low	65.3	Low	150 Å²	150	62.2 Å²	62.2	70%	0.701	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	141.8	169.8	-61.3	-175.9	161.4	0	0	111.2	R615 Q616 Q617 L621	R615-E619 CarbonylContact C-O 3.51Å; R615-E619 VanDerWaalsContact CA-O 3.22Å; R615-E619 WeakPolarHBondContact CA-O 3.25Å; R615-E619 VanDerWaalsContact CB-O 3.26Å; R615-E619 WeakPolarHBondContact CB-O 3.42Å; Q616-E619 PolarHBondContact N-O 2.77Å; Q616-E619 PolarHBondContact O-N 2.78Å; Q617-E619 PolarHBondContact O-N 3.03Å; E619-L621 PolarHBondContact O-N 2.62Å
620	E	62.6	Low	65.1	Low	94 Å²	94	66.5 Å²	66.5	44%	0.439	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	107.6	177.9	-171.8	152.9	148.3	0	0	109.8	I613 R623	I613-E620 HydrophobicContact CG2-CG 3.52Å; I613-E620 WeakPolarHBondContact CG2-OE2 3.16Å; E620-R623 IonicContact OE1-CZ 2.64Å; E620-R623 IonicContact OE1-NE 3.34Å; E620-R623 PolarHBondContact OE1-NE 3.35Å
621	L	61.2	Low	64.6	Low	65 Å²	65	69 Å²	69	34%	0.34	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-45.2	-174.4	-145.9	-172.7	0	0	0	109.9	I614 Q616 E619 I650	I614-L621 HydrophobicContact CG2-CB 4.48Å; I614-L621 HydrophobicContact CG2-CD1 4.26Å; I614-L621 WeakPolarHBondContact O-CA 3.12Å; I614-L621 WeakPolarHBondContact O-CB 3.32Å; I614-L621 PolarHBondContact O-N 3.46Å; Q616-L621 HydrophobicContact CB-CB 4.36Å; Q616-L621 HydrophobicContact CB-CD1 3.87Å; Q616-L621 HydrophobicContact CB-CG 4.01Å; E619-L621 PolarHBondContact O-N 2.62Å; L621-I650 HydrophobicContact CD1-CG1 4.16Å
622	M	61.9	Low	63.8	Low	54 Å²	54	72.8 Å²	72.8	27%	0.266	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	161.8	169.4	71.9	-170.7	-46.3	0	0	111.9	I614 L624 L644	I614-M622 HydrophobicContact CB-CG 4.11Å; I614-M622 HydrophobicContact CD1-CG 4.09Å; I614-M622 HydrophobicContact CD1-SD 3.91Å; I614-M622 HydrophobicContact CG1-CG 4.11Å; I614-M622 PolarHBondContact N-O 2.86Å; I614-M622 PolarHBondContact O-N 3.25Å; M622-L624 HydrophobicContact CE-CD1 4.23Å; M622-L624 HydrophobicContact CE-CD2 3.65Å; M622-L624 HydrophobicContact CE-CG 3.96Å; M622-L624 HydrophobicContact CG-CD1 4.31Å; M622-L624 HydrophobicContact CG-CG 4.25Å; M622-L624 HydrophobicContact SD-CD1 4Å; M622-L624 HydrophobicContact SD-CG 4.24Å; M622-L644 HydrophobicContact CE-CD1 3.74Å; M622-L644 HydrophobicContact CE-CG 4.02Å; M622-L644 HydrophobicContact SD-CD1 3.88Å; M622-L644 HydrophobicContact SD-CD2 3.7Å; M622-L644 HydrophobicContact SD-CG 3.62Å
623	R	64.6	Low	63.4	Low	130 Å²	130	75.5 Å²	75.5	49%	0.491	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.4	177.7	-177.5	176	-101	-105.9	-9	108.5	E611 I613 E620	E611-R623 HydrophobicContact CG-CG 3.93Å; E611-R623 WeakPolarHBondContact OE1-CD 3.47Å; E611-R623 VanDerWaalsContact OE1-CG 3.24Å; E611-R623 WeakPolarHBondContact OE1-CG 3.1Å; E611-R623 IonicContact OE1-CZ 2.93Å; E611-R623 IonicContact OE1-NE 3.89Å; E611-R623 IonicContact OE1-NH1 3.49Å; E611-R623 PolarHBondContact OE1-NH1 3.31Å; E611-R623 IonicContact OE2-CZ 3.05Å; E611-R623 IonicContact OE2-NH1 3.99Å; E611-R623 PolarHBondContact OE2-NH1 3.27Å; E611-R623 IonicContact OE2-NH2 2.73Å; I613-R623 VanDerWaalsContact CD1-NH2 3.33Å; E620-R623 IonicContact OE1-CZ 2.64Å; E620-R623 IonicContact OE1-NE 3.34Å; E620-R623 PolarHBondContact OE1-NE 3.35Å
624	L	66.4	Low	63.2	Low	25 Å²	25	80.4 Å²	80.4	13%	0.131	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.5	-169.9	-73.1	166.3	0	0	0	110	I572 E611 A612 I614 M622 L626 L641	I572-L624 HydrophobicContact CD1-CD1 4.16Å; E611-L624 CarbonylContact C-O 3.52Å; E611-L624 VanDerWaalsContact CA-O 3.3Å; E611-L624 WeakPolarHBondContact CA-O 3.2Å; A612-L624 HydrophobicContact CB-CB 4.29Å; A612-L624 PolarHBondContact N-O 2.79Å; A612-L624 PolarHBondContact O-N 3.43Å; I614-L624 HydrophobicContact CD1-CD1 4.31Å; M622-L624 HydrophobicContact CE-CD1 4.23Å; M622-L624 HydrophobicContact CE-CD2 3.65Å; M622-L624 HydrophobicContact CE-CG 3.96Å; M622-L624 HydrophobicContact CG-CD1 4.31Å; M622-L624 HydrophobicContact CG-CG 4.25Å; M622-L624 HydrophobicContact SD-CD1 4Å; M622-L624 HydrophobicContact SD-CG 4.24Å; L624-L626 HydrophobicContact CB-CD2 4.23Å; L624-L626 PolarHBondContact O-N 2.81Å; L624-L641 HydrophobicContact CD1-CD1 3.55Å; L624-L641 HydrophobicContact CD1-CD2 4.17Å; L624-L641 HydrophobicContact CD2-CD2 3.93Å
625	V	63	Low	63.3	Low	95 Å²	95	83.1 Å²	83.1	58%	0.576	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	106.8	169.9	-176.5	0	0	0	0	107.8	F609 P627	F609-V625 HydrophobicContact CB-CG1 3.68Å; F609-V625 HydrophobicContact CD1-CG1 4.25Å; F609-V625 HydrophobicContact CG-CG1 3.92Å; V625-P627 WeakPolarHBondContact O-CD 3.38Å
626	L	66.6	Low	63.6	Low	3 Å²	3	85.5 Å²	85.5	2%	0.016	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.5	179.6	-62.6	-174	0	0	0	109.5	C610 A612 L624 W639 F655	C610-L626 HydrophobicContact CB-CB 4.35Å; C610-L626 PolarHBondContact N-O 3.28Å; C610-L626 VanDerWaalsContact N-O 3.14Å; C610-L626 PolarHBondContact O-N 2.7Å; A612-L626 HydrophobicContact CB-CD1 3.64Å; A612-L626 HydrophobicContact CB-CG 4.03Å; L624-L626 HydrophobicContact CB-CD2 4.23Å; L624-L626 PolarHBondContact O-N 2.81Å; L626-W639 HydrophobicContact CB-CZ2 4.31Å; L626-W639 HydrophobicContact CD1-CD2 4Å; L626-W639 HydrophobicContact CD1-CE3 4.14Å; L626-W639 HydrophobicContact CD1-CH2 4.28Å; L626-W639 HydrophobicContact CD1-CZ2 4.19Å; L626-W639 HydrophobicContact CD1-CZ3 4.27Å; L626-W639 HydrophobicContact CD2-CB 4.14Å; L626-W639 HydrophobicContact CD2-CD2 4.25Å; L626-W639 HydrophobicContact CD2-CG 3.9Å; L626-W639 HydrophobicContact CG-CD2 4.49Å; L626-F655 HydrophobicContact CD1-CD1 4.28Å; L626-F655 HydrophobicContact CD1-CE1 3.57Å; L626-F655 HydrophobicContact CD1-CZ 4.18Å
627	P	61.3	Low	64	Low	74 Å²	74	83.7 Å²	83.7	48%	0.481	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-70.2	169.5	172.9	32.6	-36.1	0	0	0	110.3	V625 W639	V625-P627 WeakPolarHBondContact O-CD 3.38Å; P627-W639 PolarHBondContact O-NE1 3.18Å
628	K	63	Low	64.6	Low	129 Å²	129	83.6 Å²	83.6	56%	0.561	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-59.5	122.3	168.4	-158.4	167.6	-171	173.4	0	108.8	V661	K628-V661 WeakPolarHBondContact CE-O 3.32Å; K628-V661 HydrophobicContact CG-CG1 4.33Å
629	P	60.9	Low	65	Low	20 Å²	20	78.5 Å²	78.5	13%	0.13	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-71.3	148.8	-172.4	30.9	-36.7	0	0	0	110.3	T631 L637 W639 V661	P629-T631 PolarHBondContact O-N 2.75Å; P629-T631 VanDerWaalsContact O-N 3.13Å; P629-L637 HydrophobicContact CG-CB 3.9Å; P629-L637 HydrophobicContact CG-CD1 4.31Å; P629-L637 HydrophobicContact CG-CD2 3.7Å; P629-L637 HydrophobicContact CG-CG 4.15Å; P629-W639 HydrophobicContact CB-CZ2 4.46Å; P629-W639 HydrophobicContact CG-CZ2 4.16Å; P629-V661 VanDerWaalsContact CD-CG1 3.47Å; P629-V661 HydrophobicContact CG-CG1 4.49Å
630	N	54.2	Low	65.1	Low	178 Å²	178	76 Å²	76	95%	0.952	39%	0.392	S	S	*	.			trans	-90.7	47.4	-176.8	-150.1	49.2	0	0	0	111.1
631	T	58.7	Low	65.2	Low	52 Å²	52	72.6 Å²	72.6	32%	0.319	38%	0.377	S	S	.	.			trans	-102.2	136.7	-179.3	49.3	0	0	0	0	110.6	P629 D633 K636 R638	P629-T631 PolarHBondContact O-N 2.75Å; P629-T631 VanDerWaalsContact O-N 3.13Å; T631-D633 VanDerWaalsContact C-N 3.32Å; T631-D633 PolarHBondContact OG1-O 2.98Å; T631-K636 PolarHBondContact OG1-O 2.93Å; T631-R638 HydrophobicContact CG2-CB 4.1Å
632	S	56.8	Low	64.6	Low	125 Å²	125	74.9 Å²	74.9	87%	0.874	39%	0.389	S	S	*	.	S	Bend	trans	-68.6	-34.3	168.7	46.6	0	0	0	0	111.7	K634	S632-K634 PolarHBondContact O-N 2.89Å; S632-K634 VanDerWaalsContact O-N 3.16Å
633	D	65.9	Low	64.1	Low	57 Å²	57	78.4 Å²	78.4	31%	0.305	41%	0.409	S	S	.	.			trans	-66.1	109.2	174.9	-168.8	-26.3	0	0	0	110.5	T631 L635 K636	T631-D633 VanDerWaalsContact C-N 3.32Å; T631-D633 PolarHBondContact OG1-O 2.98Å; D633-L635 PolarHBondContact O-N 3.37Å; D633-L635 VanDerWaalsContact OD1-CA 3.31Å; D633-L635 WeakPolarHBondContact OD1-CA 3.26Å; D633-L635 WeakPolarHBondContact OD1-CB 3.22Å; D633-L635 PolarHBondContact OD1-N 3.05Å; D633-K636 HydrophobicContact CB-CB 4.24Å; D633-K636 PolarHBondContact OD1-N 2.84Å; D633-K636 WeakPolarHBondContact OD2-CB 3.05Å; D633-K636 VanDerWaalsContact OD2-CD 3.24Å; D633-K636 WeakPolarHBondContact OD2-CD 3.22Å; D633-K636 VanDerWaalsContact OD2-CG 3.28Å; D633-K636 WeakPolarHBondContact OD2-CG 3.17Å; D633-K636 IonicContact OD2-NZ 3.96Å
634	K	70	Confident	63.4	Low	107 Å²	107	72.5 Å²	72.5	47%	0.465	39%	0.387	S	S	.	.	S	Bend	trans	-67.7	-15	176.5	-62.6	168.1	-173	162.2	0	112.5	S632 M664	S632-K634 PolarHBondContact O-N 2.89Å; S632-K634 VanDerWaalsContact O-N 3.16Å; K634-M664 WeakPolarHBondContact O-CE 3.36Å
635	L	75.4	Confident	62.6	Low	59 Å²	59	77.1 Å²	77.1	31%	0.309	41%	0.407	S	S	.	.	S	Bend	trans	-111.4	-14.9	-174.4	-63.3	170.8	0	0	0	113.7	I576 L578 D633 M664	I576-L635 HydrophobicContact CB-CD2 4.26Å; I576-L635 WeakPolarHBondContact CB-O 3.36Å; I576-L635 HydrophobicContact CG2-CD2 4.27Å; I576-L635 PolarHBondContact N-O 3.28Å; L578-L635 HydrophobicContact CD1-CD2 4.05Å; L578-L635 HydrophobicContact CG-CD2 4.12Å; D633-L635 PolarHBondContact O-N 3.37Å; D633-L635 VanDerWaalsContact OD1-CA 3.31Å; D633-L635 WeakPolarHBondContact OD1-CA 3.26Å; D633-L635 WeakPolarHBondContact OD1-CB 3.22Å; D633-L635 PolarHBondContact OD1-N 3.05Å; L635-M664 HydrophobicContact CD2-CE 3.84Å; L635-M664 HydrophobicContact CD2-SD 4.11Å
636	K	75.2	Confident	62.2	Low	107 Å²	107	73.4 Å²	73.4	47%	0.465	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	111.1	173.8	-61.9	178.6	-163	151	0	111.8	T631 D633	T631-K636 PolarHBondContact OG1-O 2.93Å; D633-K636 HydrophobicContact CB-CB 4.24Å; D633-K636 PolarHBondContact OD1-N 2.84Å; D633-K636 WeakPolarHBondContact OD2-CB 3.05Å; D633-K636 VanDerWaalsContact OD2-CD 3.24Å; D633-K636 WeakPolarHBondContact OD2-CD 3.22Å; D633-K636 VanDerWaalsContact OD2-CG 3.28Å; D633-K636 WeakPolarHBondContact OD2-CG 3.17Å; D633-K636 IonicContact OD2-NZ 3.96Å
637	L	76.4	Confident	61.5	Low	9 Å²	9	75.7 Å²	75.7	5%	0.047	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.6	178.8	-51	-168.8	0	0	0	109.9	W573 L574 I576 P629 W639 V661 L662	W573-L637 WeakPolarHBondContact CA-O 3.28Å; L574-L637 HydrophobicContact CB-CB 4.32Å; L574-L637 HydrophobicContact CD2-CD1 4.38Å; L574-L637 PolarHBondContact N-O 2.79Å; L574-L637 PolarHBondContact O-N 3.19Å; I576-L637 HydrophobicContact CD1-CD1 4.25Å; I576-L637 HydrophobicContact CD1-CD2 4.41Å; I576-L637 HydrophobicContact CD1-CG 4.06Å; P629-L637 HydrophobicContact CG-CB 3.9Å; P629-L637 HydrophobicContact CG-CD1 4.31Å; P629-L637 HydrophobicContact CG-CD2 3.7Å; P629-L637 HydrophobicContact CG-CG 4.15Å; L637-W639 HydrophobicContact CB-CE3 4.45Å; L637-W639 HydrophobicContact CB-CH2 3.47Å; L637-W639 VanDerWaalsContact CB-CH2 3.47Å; L637-W639 HydrophobicContact CB-CZ2 4.05Å; L637-W639 HydrophobicContact CB-CZ3 3.69Å; L637-W639 HydrophobicContact CD1-CH2 3.73Å; L637-W639 HydrophobicContact CD1-CZ2 4.16Å; L637-W639 HydrophobicContact CG-CH2 4.26Å; L637-V661 HydrophobicContact CD1-CG1 4.17Å; L637-L662 HydrophobicContact CD1-CD2 4.29Å
638	R	74.8	Confident	61.3	Low	105 Å²	105	76.7 Å²	76.7	40%	0.396	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.1	-178.3	-167.7	-174.4	-168.4	170	7.7	111.1	I571 I572 W573 T631	I571-R638 HydrophobicContact CG2-CG 3.67Å; I572-R638 WeakPolarHBondContact O-CA 3.26Å; W573-R638 HydrophobicContact CD2-CB 4.47Å; W573-R638 HydrophobicContact CD2-CG 4.02Å; W573-R638 HydrophobicContact CE3-CB 3.88Å; W573-R638 HydrophobicContact CE3-CG 3.85Å; W573-R638 VanDerWaalsContact CH2-CD 3.48Å; W573-R638 HydrophobicContact CH2-CG 4.08Å; W573-R638 HydrophobicContact CZ2-CG 4.2Å; W573-R638 VanDerWaalsContact CZ2-NE 3.25Å; W573-R638 HydrophobicContact CZ3-CB 3.94Å; W573-R638 HydrophobicContact CZ3-CG 3.88Å; T631-R638 HydrophobicContact CG2-CB 4.1Å
639	W	69.9	Low	61.1	Low	11 Å²	11	73.5 Å²	73.5	4%	0.042	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	109.8	171.7	-58	-90.2	0	0	0	110.8	I572 L574 L626 P627 P629 L637 F655 V661	I572-W639 HydrophobicContact CB-CB 4.43Å; I572-W639 HydrophobicContact CB-CE3 4.12Å; I572-W639 HydrophobicContact CG2-CE3 3.65Å; I572-W639 HydrophobicContact CG2-CZ3 4Å; I572-W639 PolarHBondContact N-O 2.9Å; I572-W639 PolarHBondContact O-N 2.72Å; L574-W639 HydrophobicContact CB-CH2 4.45Å; L574-W639 HydrophobicContact CB-CZ3 3.93Å; L626-W639 HydrophobicContact CB-CZ2 4.31Å; L626-W639 HydrophobicContact CD1-CD2 4Å; L626-W639 HydrophobicContact CD1-CE3 4.14Å; L626-W639 HydrophobicContact CD1-CH2 4.28Å; L626-W639 HydrophobicContact CD1-CZ2 4.19Å; L626-W639 HydrophobicContact CD1-CZ3 4.27Å; L626-W639 HydrophobicContact CD2-CB 4.14Å; L626-W639 HydrophobicContact CD2-CD2 4.25Å; L626-W639 HydrophobicContact CD2-CG 3.9Å; L626-W639 HydrophobicContact CG-CD2 4.49Å; P627-W639 PolarHBondContact O-NE1 3.18Å; P629-W639 HydrophobicContact CB-CZ2 4.46Å; P629-W639 HydrophobicContact CG-CZ2 4.16Å; L637-W639 HydrophobicContact CB-CE3 4.45Å; L637-W639 HydrophobicContact CB-CH2 3.47Å; L637-W639 VanDerWaalsContact CB-CH2 3.47Å; L637-W639 HydrophobicContact CB-CZ2 4.05Å; L637-W639 HydrophobicContact CB-CZ3 3.69Å; L637-W639 HydrophobicContact CD1-CH2 3.73Å; L637-W639 HydrophobicContact CD1-CZ2 4.16Å; L637-W639 HydrophobicContact CG-CH2 4.26Å; W639-F655 HydrophobicContact CH2-CE1 4.4Å; W639-F655 HydrophobicContact CZ3-CE1 4.34Å; W639-V661 HydrophobicContact CZ2-CG1 4.05Å
640	P	59.6	Low	61.3	Low	98 Å²	98	73 Å²	73	64%	0.636	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	139.8	169.2	31.1	-33.1	0	0	0	110.4
641	L	63.2	Low	62	Low	21 Å²	21	67.5 Å²	67.5	11%	0.11	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.3	-177.9	-57.4	174.3	0	0	0	109.8	C570 I572 L624 L644	C570-L641 HydrophobicContact CB-CB 4.41Å; C570-L641 PolarHBondContact N-O 2.93Å; C570-L641 WeakPolarHBondContact O-CA 3.25Å; C570-L641 PolarHBondContact O-N 2.9Å; C570-L641 VanDerWaalsContact O-O 3.08Å; I572-L641 HydrophobicContact CD1-CD1 3.71Å; I572-L641 HydrophobicContact CG1-CD1 3.82Å; L624-L641 HydrophobicContact CD1-CD1 3.55Å; L624-L641 HydrophobicContact CD1-CD2 4.17Å; L624-L641 HydrophobicContact CD2-CD2 3.93Å; L641-L644 HydrophobicContact CB-CD1 3.62Å; L641-L644 HydrophobicContact CD1-CD1 4.02Å; L641-L644 HydrophobicContact CD1-CD2 4.34Å; L641-L644 HydrophobicContact CG-CD1 4.44Å
642	N	49.7	Very low	62.8	Low	113 Å²	113	67.5 Å²	67.5	60%	0.604	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	163.3	172.6	-63.2	-23.4	0	0	0	110.3	L644	N642-L644 VanDerWaalsContact C-N 3.34Å; N642-L644 PolarHBondContact O-N 2.83Å
643	D	50.5	Low	63.7	Low	129 Å²	129	61.5 Å²	61.5	69%	0.69	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	62.5	26.7	170.8	-58.7	-53.3	0	0	0	116.6
644	L	49.9	Very low	64.4	Low	5 Å²	5	59 Å²	59	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	130.5	173.6	-96.9	79.5	0	0	0	111.7	L568 C570 I614 M622 L641 N642 I646	L568-L644 PolarHBondContact N-O 3.32Å; L568-L644 PolarHBondContact O-N 2.96Å; C570-L644 HydrophobicContact CB-CB 4.22Å; C570-L644 HydrophobicContact CB-CD2 3.94Å; C570-L644 HydrophobicContact CB-CG 4.45Å; I614-L644 HydrophobicContact CD1-CD2 4.25Å; M622-L644 HydrophobicContact CE-CD1 3.74Å; M622-L644 HydrophobicContact CE-CG 4.02Å; M622-L644 HydrophobicContact SD-CD1 3.88Å; M622-L644 HydrophobicContact SD-CD2 3.7Å; M622-L644 HydrophobicContact SD-CG 3.62Å; L641-L644 HydrophobicContact CB-CD1 3.62Å; L641-L644 HydrophobicContact CD1-CD1 4.02Å; L641-L644 HydrophobicContact CD1-CD2 4.34Å; L641-L644 HydrophobicContact CG-CD1 4.44Å; N642-L644 VanDerWaalsContact C-N 3.34Å; N642-L644 PolarHBondContact O-N 2.83Å; L644-I646 HydrophobicContact CB-CG1 4.18Å; L644-I646 HydrophobicContact CD2-CD1 3.78Å; L644-I646 HydrophobicContact CD2-CG1 3.78Å
645	K	50	Low	65.1	Low	123 Å²	123	53.9 Å²	53.9	54%	0.535	27%	0.265	S	S	.	.			trans	-98.7	79	157.7	-77.6	-163.7	169.5	-166.3	0	109.7	G566	G566-K645 WeakPolarHBondContact O-CE 3.3Å
646	I	55.3	Low	65.2	Low	16 Å²	16	52.1 Å²	52.1	8%	0.082	26%	0.258	C	S	.	.			trans	-66.3	147	167.5	-67.1	173.4	0	0	0	108.8	C570 L644 I650 I678 Y685	C570-I646 HydrophobicContact CB-CD1 4.12Å; C570-I646 VanDerWaalsContact SG-CD1 3.55Å; L644-I646 HydrophobicContact CB-CG1 4.18Å; L644-I646 HydrophobicContact CD2-CD1 3.78Å; L644-I646 HydrophobicContact CD2-CG1 3.78Å; I646-I650 HydrophobicContact CB-CD1 4.34Å; I646-I650 HydrophobicContact CD1-CD1 4.35Å; I646-I650 HydrophobicContact CG1-CD1 3.98Å; I646-I650 HydrophobicContact CG2-CD1 3.65Å; I646-I650 HydrophobicContact CG2-CG1 4.37Å; I646-I678 HydrophobicContact CB-CD1 3.8Å; I646-I678 HydrophobicContact CD1-CD1 3.55Å; I646-I678 HydrophobicContact CD1-CG1 3.78Å; I646-I678 HydrophobicContact CG1-CD1 4.22Å; I646-I678 HydrophobicContact CG2-CD1 3.77Å; I646-Y685 HydrophobicContact CG2-CE2 3.82Å
647	T	51.7	Low	65.1	Low	51 Å²	51	50.7 Å²	50.7	31%	0.313	26%	0.256	S	S	.	.			trans	-133.4	161.7	166.9	65.7	0	0	0	0	108.2	Q616 K649 I650	Q616-T647 PolarHBondContact NE2-OG1 3.5Å; Q616-T647 PolarHBondContact OE1-OG1 2.64Å; T647-K649 PolarHBondContact O-N 2.62Å; T647-I650 PolarHBondContact O-N 2.66Å
648	D	56.5	Low	65.2	Low	95 Å²	95	50.3 Å²	50.3	51%	0.508	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	18.3	-177.7	-46.2	-73.3	0	0	0	115.2	K706	D648-K706 IonicContact OD1-NZ 2.67Å; D648-K706 PolarHBondContact OD1-NZ 2.64Å
649	K	59.2	Low	65.2	Low	63 Å²	63	48.3 Å²	48.3	27%	0.274	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	6	-167.2	-64.5	161.1	-173.9	158.8	0	111.9	E561 Q616 T647 K651	E561-K649 IonicContact OE1-NZ 3.14Å; E561-K649 PolarHBondContact OE1-NZ 2.85Å; Q616-K649 HydrophobicContact CG-CB 3.87Å; T647-K649 PolarHBondContact O-N 2.62Å; K649-K651 PolarHBondContact O-N 3.07Å
650	I	65.3	Low	65.4	Low	10 Å²	10	50.7 Å²	50.7	5%	0.051	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	125.5	164.6	-65.3	-179.6	0	0	0	108.3	I614 L621 I646 T647 L676 F687	I614-I650 HydrophobicContact CG2-CD1 3.87Å; I614-I650 HydrophobicContact CG2-CG1 3.95Å; I614-I650 HydrophobicContact CG2-CG2 3.96Å; L621-I650 HydrophobicContact CD1-CG1 4.16Å; I646-I650 HydrophobicContact CB-CD1 4.34Å; I646-I650 HydrophobicContact CD1-CD1 4.35Å; I646-I650 HydrophobicContact CG1-CD1 3.98Å; I646-I650 HydrophobicContact CG2-CD1 3.65Å; I646-I650 HydrophobicContact CG2-CG1 4.37Å; T647-I650 PolarHBondContact O-N 2.66Å; I650-L676 HydrophobicContact CD1-CD1 4.42Å; I650-F687 HydrophobicContact CG2-CZ 4.01Å
651	K	68.5	Low	66.1	Low	62 Å²	62	46.1 Å²	46.1	27%	0.27	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-31.9	177.2	-78.6	-169.1	169.8	-168	0	113.4	R615 K649 N703	R615-K651 PolarHBondContact O-N 3.39Å; K649-K651 PolarHBondContact O-N 3.07Å; K651-N703 PolarHBondContact O-N 2.97Å
652	Y	75	Confident	66.6	Low	51 Å²	51	45.9 Å²	45.9	20%	0.2	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	144.4	-170.1	-46.9	-74.9	0	0	0	110.1	R615 D618 T700 F701 R702	R615-Y652 HydrophobicContact CB-CD2 4.16Å; R615-Y652 PolarHBondContact N-O 2.82Å; R615-Y652 PolarHBondContact O-N 3.06Å; D618-Y652 VanDerWaalsContact OD1-CE2 3.25Å; D618-Y652 WeakPolarHBondContact OD1-CE2 3.47Å; Y652-T700 HydrophobicContact CD1-CG2 4.35Å; Y652-F701 WeakPolarHBondContact CA-O 3.38Å; Y652-R702 HydrophobicContact CD1-CG 4.05Å; Y652-R702 HydrophobicContact CE1-CG 4.35Å
653	V	76.7	Confident	67.8	Low	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	115.5	160.1	-174.8	0	0	0	0	106.9	I613 I614 F655 L674 L676 F687 F701	I613-V653 WeakPolarHBondContact O-CA 3.47Å; I614-V653 HydrophobicContact CG1-CG1 4.33Å; I614-V653 HydrophobicContact CG1-CG2 4.24Å; I614-V653 HydrophobicContact CG2-CG2 4.39Å; V653-F655 HydrophobicContact CG1-CD2 4.01Å; V653-F655 HydrophobicContact CG1-CE2 3.61Å; V653-L674 HydrophobicContact CB-CD2 3.64Å; V653-L674 HydrophobicContact CG1-CD2 3.93Å; V653-L674 HydrophobicContact CG2-CD2 3.9Å; V653-L676 HydrophobicContact CG2-CD1 3.77Å; V653-F687 HydrophobicContact CG2-CE1 3.98Å; V653-F687 HydrophobicContact CG2-CE2 4.23Å; V653-F687 HydrophobicContact CG2-CZ 3.56Å; V653-F701 PolarHBondContact N-O 2.91Å; V653-F701 PolarHBondContact O-N 3.17Å
654	D	80.4	Confident	69	Low	3 Å²	3	38.6 Å²	38.6	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	141.7	170	-70.9	-8.6	0	0	0	109.6	A612 I613 R615 L698 I699 T700	A612-D654 CarbonylContact C-O 3.48Å; A612-D654 VanDerWaalsContact CA-O 3.27Å; A612-D654 WeakPolarHBondContact CA-O 3.46Å; I613-D654 HydrophobicContact CB-CB 4.21Å; I613-D654 PolarHBondContact N-O 2.95Å; I613-D654 PolarHBondContact O-N 3.48Å; R615-D654 IonicContact CZ-OD2 2.69Å; R615-D654 IonicContact NH1-OD1 2.99Å; R615-D654 IonicContact NH1-OD2 3.33Å; R615-D654 PolarHBondContact NH1-OD2 3.5Å; R615-D654 IonicContact NH2-OD2 2.69Å; R615-D654 PolarHBondContact NH2-OD2 2.73Å; D654-L698 HydrophobicContact CB-CD1 3.82Å; D654-L698 HydrophobicContact CB-CG 4.46Å; D654-I699 CarbonylContact C-O 3.52Å; D654-I699 WeakPolarHBondContact CA-O 3.43Å; D654-T700 WeakPolarHBondContact OD1-CB 3.47Å; D654-T700 WeakPolarHBondContact OD1-CG2 3.46Å; D654-T700 PolarHBondContact OD1-OG1 2.97Å
655	F	83.1	Confident	70.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.6	163.8	-78.1	-115.3	0	0	0	108.6	I572 E611 A612 L626 W639 V653 L658 L674 I699 F701	I572-F655 HydrophobicContact CG2-CZ 4.13Å; E611-F655 WeakPolarHBondContact O-CA 3.17Å; A612-F655 HydrophobicContact CB-CE1 4.33Å; A612-F655 HydrophobicContact CB-CE2 4.37Å; A612-F655 HydrophobicContact CB-CZ 4.25Å; L626-F655 HydrophobicContact CD1-CD1 4.28Å; L626-F655 HydrophobicContact CD1-CE1 3.57Å; L626-F655 HydrophobicContact CD1-CZ 4.18Å; W639-F655 HydrophobicContact CH2-CE1 4.4Å; W639-F655 HydrophobicContact CZ3-CE1 4.34Å; V653-F655 HydrophobicContact CG1-CD2 4.01Å; V653-F655 HydrophobicContact CG1-CE2 3.61Å; F655-L658 HydrophobicContact CB-CB 4.49Å; F655-L658 HydrophobicContact CD1-CD1 4.04Å; F655-L674 HydrophobicContact CE2-CD1 3.54Å; F655-L674 HydrophobicContact CE2-CD2 3.96Å; F655-L674 HydrophobicContact CE2-CG 4.41Å; F655-L674 HydrophobicContact CZ-CD1 3.53Å; F655-I699 HydrophobicContact CB-CB 4.17Å; F655-I699 HydrophobicContact CB-CG2 4.37Å; F655-I699 PolarHBondContact N-O 2.97Å; F655-I699 PolarHBondContact O-N 3.08Å; F655-F701 AromaticContact CD2-CD2 3.84Å; F655-F701 HydrophobicContact CD2-CD2 3.84Å; F655-F701 AromaticContact CD2-CE2 3.66Å; F655-F701 HydrophobicContact CD2-CE2 3.66Å; F655-F701 HydrophobicContact CE2-CD2 4.04Å; F655-F701 AromaticContact CE2-CE2 3.91Å; F655-F701 HydrophobicContact CE2-CE2 3.91Å; F655-F701 HydrophobicContact CG-CE2 4.4Å
656	C	77.9	Confident	71.4	Confident	22 Å²	22	37.6 Å²	37.6	15%	0.149	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	143	167.5	-54.2	0	0	0	0	109.2	C610 E611 L658 L698	C610-C656 PolarHBondContact SG-O 3.11Å; E611-C656 HydrophobicContact CB-CB 4.2Å; E611-C656 PolarHBondContact N-O 3.35Å; E611-C656 PolarHBondContact O-N 2.91Å; C656-L658 VanDerWaalsContact C-N 3.28Å; C656-L658 PolarHBondContact O-N 2.85Å; C656-L698 VanDerWaalsContact SG-CD1 3.54Å
657	N	73.4	Confident	72.3	Confident	78 Å²	78	40.3 Å²	40.3	42%	0.417	23%	0.226	S	C	.	.			trans	57.3	31.9	171.5	-56.3	-12.3	0	0	0	114.9	S659 N660 G697	N657-S659 PolarHBondContact O-N 2.89Å; N657-S659 VanDerWaalsContact O-N 3.14Å; N657-N660 WeakPolarHBondContact O-CB 3.38Å; N657-N660 PolarHBondContact O-N 2.79Å; N657-G697 PolarHBondContact N-O 3.02Å
658	L	78.6	Confident	73.6	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-56.3	-31.3	177.8	-177.7	64.3	0	0	0	112.5	L574 F655 C656 N660 V661 L662 L666 L672 I699	L574-L658 HydrophobicContact CD2-CD1 3.68Å; L574-L658 HydrophobicContact CD2-CD2 3.94Å; L574-L658 HydrophobicContact CD2-CG 4.46Å; F655-L658 HydrophobicContact CB-CB 4.49Å; F655-L658 HydrophobicContact CD1-CD1 4.04Å; C656-L658 VanDerWaalsContact C-N 3.28Å; C656-L658 PolarHBondContact O-N 2.85Å; L658-N660 PolarHBondContact O-N 2.68Å; L658-V661 PolarHBondContact O-N 2.89Å; L658-V661 VanDerWaalsContact O-N 3.09Å; L658-L662 HydrophobicContact CD1-CG 4.45Å; L658-L662 HydrophobicContact CD2-CD1 4.21Å; L658-L662 HydrophobicContact CG-CD1 3.91Å; L658-L662 HydrophobicContact CG-CG 4.03Å; L658-L662 WeakPolarHBondContact O-CG 3.21Å; L658-L662 PolarHBondContact O-N 2.92Å; L658-L662 VanDerWaalsContact O-N 3.15Å; L658-L666 HydrophobicContact CD2-CD2 4.4Å; L658-L672 HydrophobicContact CD2-CD1 3.77Å; L658-L672 HydrophobicContact CD2-CD2 4.49Å; L658-I699 HydrophobicContact CB-CD1 4Å; L658-I699 HydrophobicContact CD2-CD1 3.6Å; L658-I699 HydrophobicContact CG-CD1 4.42Å
659	S	75	Confident	74.5	Confident	62 Å²	62	35 Å²	35	43%	0.434	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-48.6	-26.3	170	45.8	0	0	0	0	115	N657 V661	N657-S659 PolarHBondContact O-N 2.89Å; N657-S659 VanDerWaalsContact O-N 3.14Å; S659-V661 VanDerWaalsContact C-N 3.32Å
660	N	73.9	Confident	75.3	Confident	61 Å²	61	37.8 Å²	37.8	33%	0.326	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-88.8	-6.4	-172.8	-55.8	21.1	0	0	0	111.9	D607 N657 L658	D607-N660 WeakPolarHBondContact O-CB 3.4Å; D607-N660 PolarHBondContact O-ND2 3.23Å; N657-N660 WeakPolarHBondContact O-CB 3.38Å; N657-N660 PolarHBondContact O-N 2.79Å; L658-N660 PolarHBondContact O-N 2.68Å
661	V	73.5	Confident	75.8	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.018	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-30.6	-178.8	167.7	0	0	0	0	112	C610 K628 P629 L637 W639 L658 S659	C610-V661 HydrophobicContact CB-CB 4.15Å; C610-V661 HydrophobicContact CB-CG2 3.57Å; K628-V661 WeakPolarHBondContact CE-O 3.32Å; K628-V661 HydrophobicContact CG-CG1 4.33Å; P629-V661 VanDerWaalsContact CD-CG1 3.47Å; P629-V661 HydrophobicContact CG-CG1 4.49Å; L637-V661 HydrophobicContact CD1-CG1 4.17Å; W639-V661 HydrophobicContact CZ2-CG1 4.05Å; L658-V661 PolarHBondContact O-N 2.89Å; L658-V661 VanDerWaalsContact O-N 3.09Å; S659-V661 VanDerWaalsContact C-N 3.32Å
662	L	75	Confident	76.3	Confident	15 Å²	15	38.1 Å²	38.1	8%	0.079	21%	0.211	C	C	.	.			trans	-60.2	150.2	171.8	-67.3	169.9	0	0	0	112.4	I576 L637 L658 M664 L666	I576-L662 HydrophobicContact CD1-CD2 3.39Å; I576-L662 HydrophobicContact CG1-CD2 4.15Å; L637-L662 HydrophobicContact CD1-CD2 4.29Å; L658-L662 HydrophobicContact CD1-CG 4.45Å; L658-L662 HydrophobicContact CD2-CD1 4.21Å; L658-L662 HydrophobicContact CG-CD1 3.91Å; L658-L662 HydrophobicContact CG-CG 4.03Å; L658-L662 WeakPolarHBondContact O-CG 3.21Å; L658-L662 PolarHBondContact O-N 2.92Å; L658-L662 VanDerWaalsContact O-N 3.15Å; L662-M664 WeakPolarHBondContact CB-O 3.45Å; L662-L666 HydrophobicContact CD1-CD2 3.52Å; L662-L666 HydrophobicContact CD1-CG 3.97Å
663	T	74.8	Confident	76.5	Confident	79 Å²	79	38 Å²	38	49%	0.485	21%	0.213	S	C	.	.	S	Bend	trans	-88	-6.4	168.9	44	0	0	0	0	113.2
664	M	75.2	Confident	76.8	Confident	10 Å²	10	38 Å²	38	5%	0.049	21%	0.213	C	C	.	.	S	Bend	trans	-134.8	148.4	-172.6	61.6	-159.1	70.1	0	0	110.4	I576 L578 Y586 K634 L635 L662 V669	I576-M664 HydrophobicContact CG2-SD 3.84Å; L578-M664 HydrophobicContact CD1-SD 4.41Å; L578-M664 HydrophobicContact CD2-SD 3.59Å; L578-M664 VanDerWaalsContact CD2-SD 3.59Å; L578-M664 HydrophobicContact CG-SD 4.04Å; Y586-M664 HydrophobicContact CE1-CB 4.31Å; Y586-M664 HydrophobicContact CE2-CB 4.18Å; K634-M664 WeakPolarHBondContact O-CE 3.36Å; L635-M664 HydrophobicContact CD2-CE 3.84Å; L635-M664 HydrophobicContact CD2-SD 4.11Å; L662-M664 WeakPolarHBondContact CB-O 3.45Å; M664-V669 HydrophobicContact CG-CG2 4.31Å; M664-V669 HydrophobicContact SD-CG2 4.47Å
665	P	75.4	Confident	76.8	Confident	59 Å²	59	38.5 Å²	38.5	38%	0.383	22%	0.216	S	C	.	.			trans	-72	146.2	179.9	31.7	-35.4	0	0	0	111.2	Y586 S667 D668	Y586-P665 VanDerWaalsContact OH-CD 3.27Å; Y586-P665 WeakPolarHBondContact OH-CD 3.46Å; P665-S667 WeakPolarHBondContact CB-OG 3.27Å; P665-S667 WeakPolarHBondContact CG-OG 3.36Å; P665-S667 PolarHBondContact O-N 2.74Å; P665-D668 HydrophobicContact CG-CB 4.24Å; P665-D668 PolarHBondContact O-N 2.69Å
666	L	75	Confident	76.6	Confident	48 Å²	48	38.5 Å²	38.5	25%	0.251	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-11.4	176.8	-71.9	167	0	0	0	113.8	L658 L662 D668 L693 I699	L658-L666 HydrophobicContact CD2-CD2 4.4Å; L662-L666 HydrophobicContact CD1-CD2 3.52Å; L662-L666 HydrophobicContact CD1-CG 3.97Å; L666-D668 VanDerWaalsContact C-N 3.32Å; L666-L693 HydrophobicContact CD1-CD1 4.34Å; L666-I699 HydrophobicContact CD1-CD1 4.22Å; L666-I699 HydrophobicContact CD2-CD1 3.92Å
667	S	74.9	Confident	76.5	Confident	73 Å²	73	38.9 Å²	38.9	51%	0.51	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.2	170.6	50.5	0	0	0	0	113.5	K579 P665	K579-S667 PolarHBondContact NZ-O 2.71Å; P665-S667 WeakPolarHBondContact CB-OG 3.27Å; P665-S667 WeakPolarHBondContact CG-OG 3.36Å; P665-S667 PolarHBondContact O-N 2.74Å
668	D	78.3	Confident	76.5	Confident	21 Å²	21	35.2 Å²	35.2	11%	0.112	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-13.3	-167.9	-72.8	49.8	0	0	0	111.7	L578 K579 A582 K585 Y586 P665 L666	L578-D668 HydrophobicContact CD2-CB 4.28Å; L578-D668 WeakPolarHBondContact CD2-O 3.38Å; K579-D668 PolarHBondContact N-O 2.9Å; A582-D668 HydrophobicContact CB-CB 3.69Å; A582-D668 WeakPolarHBondContact CB-OD2 3.32Å; K585-D668 IonicContact NZ-OD2 2.69Å; K585-D668 PolarHBondContact NZ-OD2 2.81Å; Y586-D668 HydrophobicContact CE2-CB 4.33Å; P665-D668 HydrophobicContact CG-CB 4.24Å; P665-D668 PolarHBondContact O-N 2.69Å; L666-D668 VanDerWaalsContact C-N 3.32Å
669	V	74.5	Confident	75.9	Confident	14 Å²	14	38 Å²	38	9%	0.085	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133.4	169.6	-179.8	0	0	0	0	111	I576 K579 M664 K671 L672	I576-V669 HydrophobicContact CG2-CG1 4.1Å; I576-V669 HydrophobicContact CG2-CG2 3.9Å; K579-V669 WeakPolarHBondContact CE-O 3.41Å; K579-V669 PolarHBondContact NZ-O 2.89Å; M664-V669 HydrophobicContact CG-CG2 4.31Å; M664-V669 HydrophobicContact SD-CG2 4.47Å; V669-K671 WeakPolarHBondContact CG1-O 3.37Å; V669-L672 HydrophobicContact CG1-CD2 4.06Å; V669-L672 HydrophobicContact CG1-CG 4.04Å
670	E	76.1	Confident	75.2	Confident	121 Å²	121	38.9 Å²	38.9	57%	0.565	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	-42.3	171.2	-171	170	141.4	0	0	111.9	S577 K579	S577-E670 PolarHBondContact O-N 2.92Å; K579-E670 WeakPolarHBondContact CA-OE2 3.26Å; K579-E670 HydrophobicContact CG-CB 3.7Å; K579-E670 HydrophobicContact CG-CG 4.29Å
671	K	75.8	Confident	74.6	Confident	68 Å²	68	38 Å²	38	30%	0.296	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	146.8	-174.4	-159.8	-177	-169.3	-172.1	0	111.5	S577 V669 E673	S577-K671 PolarHBondContact N-O 3.31Å; S577-K671 PolarHBondContact O-N 3.29Å; V669-K671 WeakPolarHBondContact CG1-O 3.37Å; K671-E673 HydrophobicContact CD-CG 4.19Å; K671-E673 VanDerWaalsContact CE-OE1 3.28Å; K671-E673 WeakPolarHBondContact CE-OE1 3.11Å; K671-E673 HydrophobicContact CG-CG 4.49Å; K671-E673 IonicContact NZ-OE1 3.43Å; K671-E673 PolarHBondContact NZ-OE1 3.23Å
672	L	78.8	Confident	74.3	Confident	11 Å²	11	42.5 Å²	42.5	6%	0.058	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.2	164.2	-67.4	171	0	0	0	108.2	L574 S575 I576 L658 V669 I699 F701	L574-L672 HydrophobicContact CD1-CB 4.26Å; L574-L672 HydrophobicContact CD1-CD2 4.35Å; L574-L672 HydrophobicContact CD2-CD2 4.36Å; L574-L672 HydrophobicContact CG-CD2 4.37Å; S575-L672 WeakPolarHBondContact O-CA 3.46Å; I576-L672 HydrophobicContact CB-CD2 4.33Å; I576-L672 HydrophobicContact CG1-CD2 3.79Å; I576-L672 HydrophobicContact CG2-CD2 4.33Å; L658-L672 HydrophobicContact CD2-CD1 3.77Å; L658-L672 HydrophobicContact CD2-CD2 4.49Å; V669-L672 HydrophobicContact CG1-CD2 4.06Å; V669-L672 HydrophobicContact CG1-CG 4.04Å; L672-I699 HydrophobicContact CD1-CD1 4.11Å; L672-I699 HydrophobicContact CD1-CG2 4.1Å; L672-F701 HydrophobicContact CB-CE1 3.98Å; L672-F701 HydrophobicContact CB-CZ 3.83Å; L672-F701 HydrophobicContact CD1-CZ 4.32Å
673	E	79.1	Confident	74	Confident	50 Å²	50	42.1 Å²	42.1	23%	0.234	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.9	168.2	-65.8	-164.4	174.1	0	0	109.9	L574 S575 K671 K686	L574-E673 WeakPolarHBondContact CA-O 3.5Å; S575-E673 PolarHBondContact N-O 2.91Å; S575-E673 PolarHBondContact O-N 2.68Å; K671-E673 HydrophobicContact CD-CG 4.19Å; K671-E673 VanDerWaalsContact CE-OE1 3.28Å; K671-E673 WeakPolarHBondContact CE-OE1 3.11Å; K671-E673 HydrophobicContact CG-CG 4.49Å; K671-E673 IonicContact NZ-OE1 3.43Å; K671-E673 PolarHBondContact NZ-OE1 3.23Å; E673-K686 WeakPolarHBondContact OE2-CE 3.28Å; E673-K686 IonicContact OE2-NZ 3.86Å; E673-K686 PolarHBondContact OE2-NZ 2.65Å
674	L	83.5	Confident	74	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.4	175.3	-177.1	76	0	0	0	109.8	I572 W573 L574 V653 F655 F687 F701	I572-L674 HydrophobicContact CG2-CD1 3.78Å; W573-L674 WeakPolarHBondContact O-CA 3.37Å; L574-L674 HydrophobicContact CD1-CB 4.38Å; L574-L674 HydrophobicContact CD1-CD1 4.21Å; V653-L674 HydrophobicContact CB-CD2 3.64Å; V653-L674 HydrophobicContact CG1-CD2 3.93Å; V653-L674 HydrophobicContact CG2-CD2 3.9Å; F655-L674 HydrophobicContact CE2-CD1 3.54Å; F655-L674 HydrophobicContact CE2-CD2 3.96Å; F655-L674 HydrophobicContact CE2-CG 4.41Å; F655-L674 HydrophobicContact CZ-CD1 3.53Å; L674-F687 HydrophobicContact CB-CB 4.26Å; L674-F687 HydrophobicContact CB-CD2 4.11Å; L674-F687 HydrophobicContact CB-CG 4.4Å; L674-F687 HydrophobicContact CD2-CD2 3.71Å; L674-F687 HydrophobicContact CD2-CE2 3.87Å; L674-F687 HydrophobicContact CD2-CG 4.13Å; L674-F687 HydrophobicContact CD2-CZ 4.37Å; L674-F687 HydrophobicContact CG-CD2 3.99Å; L674-F687 HydrophobicContact CG-CE2 4.39Å; L674-F687 PolarHBondContact O-N 2.7Å; L674-F701 HydrophobicContact CB-CD1 3.67Å; L674-F701 HydrophobicContact CB-CD2 4.05Å; L674-F701 HydrophobicContact CB-CE1 3.79Å; L674-F701 HydrophobicContact CB-CE2 4.15Å; L674-F701 HydrophobicContact CB-CG 3.81Å; L674-F701 HydrophobicContact CB-CZ 4.03Å; L674-F701 HydrophobicContact CD2-CB 3.89Å; L674-F701 HydrophobicContact CD2-CD1 4.48Å; L674-F701 HydrophobicContact CD2-CD2 3.68Å; L674-F701 HydrophobicContact CD2-CE2 4.34Å; L674-F701 HydrophobicContact CD2-CG 3.75Å; L674-F701 HydrophobicContact CG-CD2 4.36Å; L674-F701 HydrophobicContact CG-CG 4.4Å
675	C	81.6	Confident	73.9	Confident	13 Å²	13	40.2 Å²	40.2	9%	0.088	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.2	166.6	-58.9	0	0	0	0	110.4	W573 M684 Y685	W573-C675 HydrophobicContact CB-CB 4.26Å; W573-C675 PolarHBondContact N-O 3.22Å; W573-C675 PolarHBondContact O-N 2.77Å; C675-M684 HydrophobicContact CB-CG 4.02Å; C675-M684 HydrophobicContact CB-SD 3.94Å; C675-Y685 CarbonylContact C-O 3.57Å; C675-Y685 WeakPolarHBondContact CA-O 3.24Å
676	L	78.5	Confident	73.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	98.9	174.1	-98.1	167.6	0	0	0	108.1	C570 I572 I614 I650 V653 Y685 F687	C570-L676 WeakPolarHBondContact SG-CD2 3.49Å; I572-L676 HydrophobicContact CD1-CD2 4.28Å; I572-L676 HydrophobicContact CG1-CD2 3.51Å; I572-L676 HydrophobicContact CG1-CG 4.24Å; I614-L676 HydrophobicContact CD1-CD1 4.2Å; I614-L676 HydrophobicContact CD1-CD2 4.4Å; I650-L676 HydrophobicContact CD1-CD1 4.42Å; V653-L676 HydrophobicContact CG2-CD1 3.77Å; L676-Y685 PolarHBondContact N-O 2.84Å; L676-Y685 PolarHBondContact O-N 2.89Å; L676-F687 HydrophobicContact CB-CE2 4.41Å; L676-F687 HydrophobicContact CD1-CE2 3.97Å; L676-F687 HydrophobicContact CD1-CZ 4.13Å; L676-F687 HydrophobicContact CG-CE2 4.5Å
677	E	75.8	Confident	73.9	Confident	30 Å²	30	37 Å²	37	14%	0.14	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	145.6	-177.3	-177.1	-168.2	140.8	0	0	111	C570 I571 W573 P679 I683 L709	C570-E677 CarbonylContact C-O 3.57Å; C570-E677 WeakPolarHBondContact CA-O 3.49Å; C570-E677 PolarHBondContact SG-O 3.22Å; I571-E677 HydrophobicContact CB-CB 4.19Å; I571-E677 PolarHBondContact N-O 2.69Å; I571-E677 PolarHBondContact O-N 2.7Å; W573-E677 PolarHBondContact NE1-OE2 2.75Å; E677-P679 HydrophobicContact CG-CG 4.25Å; E677-P679 WeakPolarHBondContact OE1-CG 3.18Å; E677-I683 CarbonylContact C-O 3.53Å; E677-L709 HydrophobicContact CG-CD1 4.25Å
678	I	72.6	Confident	73	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	92.7	173.7	-52.2	-177.9	0	0	0	107.5	L568 I646 E680 E681 D682 I683 Y685	L568-I678 HydrophobicContact CB-CG2 4.09Å; L568-I678 HydrophobicContact CD1-CG2 4.13Å; L568-I678 HydrophobicContact CD2-CG2 4.43Å; L568-I678 HydrophobicContact CG-CG2 4.44Å; I646-I678 HydrophobicContact CB-CD1 3.8Å; I646-I678 HydrophobicContact CD1-CD1 3.55Å; I646-I678 HydrophobicContact CD1-CG1 3.78Å; I646-I678 HydrophobicContact CG1-CD1 4.22Å; I646-I678 HydrophobicContact CG2-CD1 3.77Å; I678-E680 PolarHBondContact O-N 2.76Å; I678-E680 VanDerWaalsContact O-N 3.08Å; I678-E681 HydrophobicContact CG2-CB 4.02Å; I678-E681 HydrophobicContact CG2-CG 3.92Å; I678-E681 PolarHBondContact O-N 2.67Å; I678-D682 PolarHBondContact O-N 2.8Å; I678-I683 HydrophobicContact CB-CB 4.37Å; I678-I683 HydrophobicContact CD1-CG2 4.19Å; I678-I683 HydrophobicContact CG1-CG2 4.42Å; I678-I683 PolarHBondContact N-O 2.92Å; I678-I683 PolarHBondContact O-N 2.87Å; I678-Y685 HydrophobicContact CD1-CD2 4.44Å; I678-Y685 HydrophobicContact CD1-CE2 3.83Å
679	P	65.5	Low	71.8	Confident	60 Å²	60	40.1 Å²	40.1	39%	0.39	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-4.1	-178	-17.8	30.7	0	0	0	114.8	R569 I571 E677	R569-P679 WeakPolarHBondContact O-CD 3.38Å; I571-P679 HydrophobicContact CD1-CG 4.07Å; I571-P679 HydrophobicContact CG1-CG 4.32Å; E677-P679 HydrophobicContact CG-CG 4.25Å; E677-P679 WeakPolarHBondContact OE1-CG 3.18Å
680	E	61.6	Low	70.7	Confident	80 Å²	80	45.1 Å²	45.1	37%	0.374	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-0.4	-177.6	-65.1	177.8	153.1	0	0	112.8	L568 R569 I678	L568-E680 WeakPolarHBondContact CA-OE2 3.24Å; L568-E680 HydrophobicContact CD2-CB 3.96Å; R569-E680 IonicContact CZ-OE1 2.65Å; R569-E680 PolarHBondContact N-OE2 3.07Å; R569-E680 IonicContact NE-OE1 2.7Å; R569-E680 PolarHBondContact NE-OE1 2.91Å; R569-E680 IonicContact NH2-OE1 3.77Å; R569-E680 PolarHBondContact NH2-OE1 3.32Å; I678-E680 PolarHBondContact O-N 2.76Å; I678-E680 VanDerWaalsContact O-N 3.08Å
681	E	62	Low	69.4	Low	44 Å²	44	40.8 Å²	40.8	21%	0.206	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.1	11.7	169.5	-54.5	-171.6	142.1	0	0	112.2	I564 L568 I678 I683	I564-E681 HydrophobicContact CD1-CG 4.49Å; I564-E681 WeakPolarHBondContact CD1-OE1 3.43Å; L568-E681 VanDerWaalsContact CD1-CD 3.42Å; L568-E681 HydrophobicContact CD1-CG 3.82Å; L568-E681 WeakPolarHBondContact CD1-OE1 3.44Å; L568-E681 HydrophobicContact CD2-CG 3.73Å; L568-E681 HydrophobicContact CG-CG 4.42Å; I678-E681 HydrophobicContact CG2-CB 4.02Å; I678-E681 HydrophobicContact CG2-CG 3.92Å; I678-E681 PolarHBondContact O-N 2.67Å; E681-I683 VanDerWaalsContact C-N 3.34Å; E681-I683 HydrophobicContact CB-CD1 3.75Å; E681-I683 HydrophobicContact CB-CG1 4.47Å; E681-I683 WeakPolarHBondContact O-CD1 3.47Å; E681-I683 VanDerWaalsContact O-CG1 3.32Å; E681-I683 WeakPolarHBondContact O-CG1 3.42Å; E681-I683 PolarHBondContact O-N 2.76Å
682	D	67	Low	68.1	Low	96 Å²	96	40.2 Å²	40.2	51%	0.513	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	46.9	-179	-52.6	-38.7	0	0	0	113.3	I678 F708 L709	I678-D682 PolarHBondContact O-N 2.8Å; D682-F708 CarbonylContact O-C 3.49Å; D682-F708 VanDerWaalsContact O-CA 3.23Å; D682-F708 WeakPolarHBondContact O-CA 3.45Å; D682-L709 PolarHBondContact O-N 2.8Å
683	I	68.1	Low	66.8	Low	7 Å²	7	44.5 Å²	44.5	4%	0.036	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.6	-169.9	-82.7	156.9	0	0	0	112.4	E677 I678 E681 Y685 K706 I707 F708	E677-I683 CarbonylContact C-O 3.53Å; I678-I683 HydrophobicContact CB-CB 4.37Å; I678-I683 HydrophobicContact CD1-CG2 4.19Å; I678-I683 HydrophobicContact CG1-CG2 4.42Å; I678-I683 PolarHBondContact N-O 2.92Å; I678-I683 PolarHBondContact O-N 2.87Å; E681-I683 VanDerWaalsContact C-N 3.34Å; E681-I683 HydrophobicContact CB-CD1 3.75Å; E681-I683 HydrophobicContact CB-CG1 4.47Å; E681-I683 WeakPolarHBondContact O-CD1 3.47Å; E681-I683 VanDerWaalsContact O-CG1 3.32Å; E681-I683 WeakPolarHBondContact O-CG1 3.42Å; E681-I683 PolarHBondContact O-N 2.76Å; I683-Y685 HydrophobicContact CG2-CD2 3.76Å; I683-Y685 HydrophobicContact CG2-CE2 3.38Å; I683-K706 VanDerWaalsContact CD1-NZ 3.29Å; I683-K706 VanDerWaalsContact CG1-CE 3.5Å; I683-K706 HydrophobicContact CG2-CG 4.1Å; I683-I707 WeakPolarHBondContact CA-O 3.4Å; I683-F708 HydrophobicContact CD1-CD1 4.23Å; I683-F708 HydrophobicContact CD1-CE1 3.82Å; I683-F708 HydrophobicContact CG1-CD1 3.62Å; I683-F708 HydrophobicContact CG1-CE1 3.7Å
684	M	74.2	Confident	65.4	Low	42 Å²	42	44.4 Å²	44.4	21%	0.207	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.1	168.7	-176.5	-168.6	-69.4	0	0	111.3	C675 I707 L709	C675-M684 HydrophobicContact CB-CG 4.02Å; C675-M684 HydrophobicContact CB-SD 3.94Å; M684-I707 HydrophobicContact CB-CB 4.38Å; M684-I707 PolarHBondContact N-O 3.36Å; M684-I707 WeakPolarHBondContact O-CB 3.31Å; M684-I707 PolarHBondContact O-N 2.84Å; M684-L709 HydrophobicContact CB-CD1 4.41Å; M684-L709 HydrophobicContact CB-CD2 4.14Å; M684-L709 HydrophobicContact CB-CG 4.41Å; M684-L709 HydrophobicContact CE-CD2 4.2Å
685	Y	72.9	Confident	63.8	Low	7 Å²	7	54.5 Å²	54.5	3%	0.027	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	100.7	170.9	-67.4	-90.6	0	0	0	110.3	I646 C675 L676 I678 I683 P704 L705 K706	I646-Y685 HydrophobicContact CG2-CE2 3.82Å; C675-Y685 CarbonylContact C-O 3.57Å; C675-Y685 WeakPolarHBondContact CA-O 3.24Å; L676-Y685 PolarHBondContact N-O 2.84Å; L676-Y685 PolarHBondContact O-N 2.89Å; I678-Y685 HydrophobicContact CD1-CD2 4.44Å; I678-Y685 HydrophobicContact CD1-CE2 3.83Å; I683-Y685 HydrophobicContact CG2-CD2 3.76Å; I683-Y685 HydrophobicContact CG2-CE2 3.38Å; Y685-P704 HydrophobicContact CD1-CB 4.32Å; Y685-L705 CarbonylContact C-O 3.56Å; Y685-L705 VanDerWaalsContact CA-O 3.31Å; Y685-L705 WeakPolarHBondContact CA-O 3.43Å; Y685-K706 HydrophobicContact CD1-CB 4.08Å; Y685-K706 HydrophobicContact CD1-CG 4.25Å; Y685-K706 HydrophobicContact CE1-CB 3.87Å; Y685-K706 HydrophobicContact CE1-CD 3.9Å; Y685-K706 HydrophobicContact CE1-CG 3.78Å; Y685-K706 WeakPolarHBondContact OH-CE 3.3Å
686	K	76	Confident	62.5	Low	36 Å²	36	60.1 Å²	60.1	16%	0.157	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.2	179.2	-179.8	158.8	-173.1	153.7	0	111.6	E673 P704 L705 I707	E673-K686 WeakPolarHBondContact OE2-CE 3.28Å; E673-K686 IonicContact OE2-NZ 3.86Å; E673-K686 PolarHBondContact OE2-NZ 2.65Å; K686-P704 WeakPolarHBondContact O-CA 3.46Å; K686-L705 PolarHBondContact N-O 2.99Å; K686-L705 PolarHBondContact O-N 2.79Å; K686-I707 HydrophobicContact CB-CD1 3.76Å; K686-I707 HydrophobicContact CD-CD1 4.38Å
687	F	75.2	Confident	61.8	Low	5 Å²	5	61.6 Å²	61.6	2%	0.022	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	118.5	-177.8	-65.7	-105.5	0	0	0	110.3	I650 V653 L674 L676 F701 P704	I650-F687 HydrophobicContact CG2-CZ 4.01Å; V653-F687 HydrophobicContact CG2-CE1 3.98Å; V653-F687 HydrophobicContact CG2-CE2 4.23Å; V653-F687 HydrophobicContact CG2-CZ 3.56Å; L674-F687 HydrophobicContact CB-CB 4.26Å; L674-F687 HydrophobicContact CB-CD2 4.11Å; L674-F687 HydrophobicContact CB-CG 4.4Å; L674-F687 HydrophobicContact CD2-CD2 3.71Å; L674-F687 HydrophobicContact CD2-CE2 3.87Å; L674-F687 HydrophobicContact CD2-CG 4.13Å; L674-F687 HydrophobicContact CD2-CZ 4.37Å; L674-F687 HydrophobicContact CG-CD2 3.99Å; L674-F687 HydrophobicContact CG-CE2 4.39Å; L674-F687 PolarHBondContact O-N 2.7Å; L676-F687 HydrophobicContact CB-CE2 4.41Å; L676-F687 HydrophobicContact CD1-CE2 3.97Å; L676-F687 HydrophobicContact CD1-CZ 4.13Å; L676-F687 HydrophobicContact CG-CE2 4.5Å; F687-F701 HydrophobicContact CB-CB 3.97Å; F687-F701 HydrophobicContact CB-CD1 4.23Å; F687-F701 HydrophobicContact CB-CG 4.48Å; F687-F701 HydrophobicContact CD1-CB 3.68Å; F687-F701 HydrophobicContact CE1-CB 4.4Å; F687-F701 HydrophobicContact CG-CB 3.91Å; F687-P704 HydrophobicContact CD1-CB 3.87Å; F687-P704 HydrophobicContact CD1-CG 4.23Å; F687-P704 HydrophobicContact CD2-CB 4.12Å; F687-P704 HydrophobicContact CE1-CB 3.68Å; F687-P704 HydrophobicContact CE1-CG 3.7Å; F687-P704 HydrophobicContact CE2-CB 3.92Å; F687-P704 HydrophobicContact CG-CB 4.09Å; F687-P704 HydrophobicContact CZ-CB 3.7Å; F687-P704 HydrophobicContact CZ-CG 3.91Å
688	V	55.2	Low	61.6	Low	62 Å²	62	62.2 Å²	62.2	38%	0.376	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-22	-169.1	178.3	0	0	0	0	113.1	L705	V688-L705 HydrophobicContact CG2-CB 4.44Å; V688-L705 HydrophobicContact CG2-CD1 3.42Å; V688-L705 VanDerWaalsContact CG2-CD1 3.42Å; V688-L705 HydrophobicContact CG2-CG 3.57Å
689	E	54	Low	61.7	Low	97 Å²	97	62.3 Å²	62.3	45%	0.453	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.6	-167.5	-160.5	163.5	-146.3	0	0	111.3	R702 N703	E689-R702 HydrophobicContact CB-CB 4.49Å; E689-N703 PolarHBondContact OE2-ND2 3.44Å
690	H	50.6	Low	62.3	Low	119 Å²	119	59.9 Å²	59.9	55%	0.551	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	137.1	-173.8	-72.3	-118.3	0	0	0	111.2	S692	H690-S692 PolarHBondContact O-N 2.89Å; H690-S692 VanDerWaalsContact O-N 3.07Å
691	S	50.2	Low	63	Low	30 Å²	30	56.1 Å²	56.1	21%	0.21	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	113.6	178.3	54.2	0	0	0	0	111.7	L693 I699	S691-L693 VanDerWaalsContact C-N 3.32Å; S691-L693 PolarHBondContact O-N 2.84Å; S691-I699 VanDerWaalsContact CB-CG2 3.5Å
692	S	48.9	Very low	63.5	Low	55 Å²	55	59 Å²	59	39%	0.385	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	89.9	169.7	62	0	0	0	0	108.9	H690 T694	H690-S692 PolarHBondContact O-N 2.89Å; H690-S692 VanDerWaalsContact O-N 3.07Å; S692-T694 PolarHBondContact O-N 2.92Å
693	L	50.5	Low	63.4	Low	101 Å²	101	59.3 Å²	59.3	53%	0.529	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	103.1	177.8	-172.9	72.3	0	0	0	109	L666 S691 I699	L666-L693 HydrophobicContact CD1-CD1 4.34Å; S691-L693 VanDerWaalsContact C-N 3.32Å; S691-L693 PolarHBondContact O-N 2.84Å; L693-I699 HydrophobicContact CD1-CD1 3.97Å; L693-I699 HydrophobicContact CD1-CG1 3.64Å
694	T	48.8	Very low	63.7	Low	48 Å²	48	60.2 Å²	60.2	29%	0.294	31%	0.312	S	S	.	.			trans	-74.9	166.9	174.2	81.6	0	0	0	0	109.6	S692 D696 L698	S692-T694 PolarHBondContact O-N 2.92Å; T694-D696 VanDerWaalsContact CB-OD2 3.26Å; T694-D696 WeakPolarHBondContact CB-OD2 3.42Å; T694-D696 PolarHBondContact O-N 3.47Å; T694-D696 PolarHBondContact OG1-N 2.81Å; T694-D696 PolarHBondContact OG1-OD2 2.89Å; T694-L698 PolarHBondContact N-O 2.93Å
695	K	50.1	Low	63.3	Low	212 Å²	212	61 Å²	61	92%	0.922	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-4.4	177.7	-68.6	-173.8	176.1	-177.4	0	113.5
696	D	55.2	Low	63.2	Low	132 Å²	132	64.1 Å²	64.1	71%	0.706	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	8.7	-165	-33.1	-69.7	0	0	0	112.2	T694 L698	T694-D696 VanDerWaalsContact CB-OD2 3.26Å; T694-D696 WeakPolarHBondContact CB-OD2 3.42Å; T694-D696 PolarHBondContact O-N 3.47Å; T694-D696 PolarHBondContact OG1-N 2.81Å; T694-D696 PolarHBondContact OG1-OD2 2.89Å; D696-L698 VanDerWaalsContact C-N 3.29Å; D696-L698 PolarHBondContact O-N 3.02Å
697	G	62.8	Low	62.6	Low	30 Å²	30	65.2 Å²	65.2	31%	0.309	34%	0.337	S	S	.	.	S	Bend	trans	75.9	14.2	-177.5	0	0	0	0	0	114.5	N657	N657-G697 PolarHBondContact N-O 3.02Å
698	L	71.3	Confident	62	Low	44 Å²	44	71.3 Å²	71.3	23%	0.23	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130.9	179.7	-167.5	71.4	0	0	0	111.1	D654 C656 T694 D696	D654-L698 HydrophobicContact CB-CD1 3.82Å; D654-L698 HydrophobicContact CB-CG 4.46Å; C656-L698 VanDerWaalsContact SG-CD1 3.54Å; T694-L698 PolarHBondContact N-O 2.93Å; D696-L698 VanDerWaalsContact C-N 3.29Å; D696-L698 PolarHBondContact O-N 3.02Å
699	I	76	Confident	62	Low	1 Å²	1	71.4 Å²	71.4	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	96.8	-179.3	-72.7	175.8	0	0	0	107.9	D654 F655 L658 L666 L672 S691 L693 F701	D654-I699 CarbonylContact C-O 3.52Å; D654-I699 WeakPolarHBondContact CA-O 3.43Å; F655-I699 HydrophobicContact CB-CB 4.17Å; F655-I699 HydrophobicContact CB-CG2 4.37Å; F655-I699 PolarHBondContact N-O 2.97Å; F655-I699 PolarHBondContact O-N 3.08Å; L658-I699 HydrophobicContact CB-CD1 4Å; L658-I699 HydrophobicContact CD2-CD1 3.6Å; L658-I699 HydrophobicContact CG-CD1 4.42Å; L666-I699 HydrophobicContact CD1-CD1 4.22Å; L666-I699 HydrophobicContact CD2-CD1 3.92Å; L672-I699 HydrophobicContact CD1-CD1 4.11Å; L672-I699 HydrophobicContact CD1-CG2 4.1Å; S691-I699 VanDerWaalsContact CB-CG2 3.5Å; L693-I699 HydrophobicContact CD1-CD1 3.97Å; L693-I699 HydrophobicContact CD1-CG1 3.64Å; I699-F701 HydrophobicContact CG2-CD2 4.29Å; I699-F701 HydrophobicContact CG2-CE2 3.57Å; I699-F701 HydrophobicContact CG2-CZ 3.89Å
700	T	77.2	Confident	61.8	Low	10 Å²	10	75.3 Å²	75.3	6%	0.061	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.9	178	-57.8	0	0	0	0	111.4	Y652 D654 R702	Y652-T700 HydrophobicContact CD1-CG2 4.35Å; D654-T700 WeakPolarHBondContact OD1-CB 3.47Å; D654-T700 WeakPolarHBondContact OD1-CG2 3.46Å; D654-T700 PolarHBondContact OD1-OG1 2.97Å; T700-R702 HydrophobicContact CG2-CG 3.74Å
701	F	76.1	Confident	61.3	Low	0 Å²	0	77.4 Å²	77.4	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	141.5	163.3	-63.7	-84.7	0	0	0	110.4	L574 Y652 V653 F655 L672 L674 F687 I699	L574-F701 HydrophobicContact CD1-CE1 4.44Å; L574-F701 HydrophobicContact CD1-CE2 4.15Å; L574-F701 HydrophobicContact CD1-CZ 3.63Å; Y652-F701 WeakPolarHBondContact CA-O 3.38Å; V653-F701 PolarHBondContact N-O 2.91Å; V653-F701 PolarHBondContact O-N 3.17Å; F655-F701 AromaticContact CD2-CD2 3.84Å; F655-F701 HydrophobicContact CD2-CD2 3.84Å; F655-F701 AromaticContact CD2-CE2 3.66Å; F655-F701 HydrophobicContact CD2-CE2 3.66Å; F655-F701 HydrophobicContact CE2-CD2 4.04Å; F655-F701 AromaticContact CE2-CE2 3.91Å; F655-F701 HydrophobicContact CE2-CE2 3.91Å; F655-F701 HydrophobicContact CG-CE2 4.4Å; L672-F701 HydrophobicContact CB-CE1 3.98Å; L672-F701 HydrophobicContact CB-CZ 3.83Å; L672-F701 HydrophobicContact CD1-CZ 4.32Å; L674-F701 HydrophobicContact CB-CD1 3.67Å; L674-F701 HydrophobicContact CB-CD2 4.05Å; L674-F701 HydrophobicContact CB-CE1 3.79Å; L674-F701 HydrophobicContact CB-CE2 4.15Å; L674-F701 HydrophobicContact CB-CG 3.81Å; L674-F701 HydrophobicContact CB-CZ 4.03Å; L674-F701 HydrophobicContact CD2-CB 3.89Å; L674-F701 HydrophobicContact CD2-CD1 4.48Å; L674-F701 HydrophobicContact CD2-CD2 3.68Å; L674-F701 HydrophobicContact CD2-CE2 4.34Å; L674-F701 HydrophobicContact CD2-CG 3.75Å; L674-F701 HydrophobicContact CG-CD2 4.36Å; L674-F701 HydrophobicContact CG-CG 4.4Å; F687-F701 HydrophobicContact CB-CB 3.97Å; F687-F701 HydrophobicContact CB-CD1 4.23Å; F687-F701 HydrophobicContact CB-CG 4.48Å; F687-F701 HydrophobicContact CD1-CB 3.68Å; F687-F701 HydrophobicContact CE1-CB 4.4Å; F687-F701 HydrophobicContact CG-CB 3.91Å; I699-F701 HydrophobicContact CG2-CD2 4.29Å; I699-F701 HydrophobicContact CG2-CE2 3.57Å; I699-F701 HydrophobicContact CG2-CZ 3.89Å
702	R	73	Confident	60.6	Low	106 Å²	106	85.5 Å²	85.5	40%	0.4	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	161.7	-174.1	-54.4	-166.7	173.4	168.6	3.1	111.8	Y652 E689 T700	Y652-R702 HydrophobicContact CD1-CG 4.05Å; Y652-R702 HydrophobicContact CE1-CG 4.35Å; E689-R702 HydrophobicContact CB-CB 4.49Å; T700-R702 HydrophobicContact CG2-CG 3.74Å
703	N	66.2	Low	60.2	Low	102 Å²	102	90.8 Å²	90.8	55%	0.545	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.6	61.9	165.8	-63.7	-41.1	0	0	0	113.6	K651 E689	K651-N703 PolarHBondContact O-N 2.97Å; E689-N703 PolarHBondContact OE2-ND2 3.44Å
704	P	73.2	Confident	59.6	Low	25 Å²	25	91.1 Å²	91.1	16%	0.162	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	136	178	26.4	-32.7	0	0	0	112.3	Y685 K686 F687	Y685-P704 HydrophobicContact CD1-CB 4.32Å; K686-P704 WeakPolarHBondContact O-CA 3.46Å; F687-P704 HydrophobicContact CD1-CB 3.87Å; F687-P704 HydrophobicContact CD1-CG 4.23Å; F687-P704 HydrophobicContact CD2-CB 4.12Å; F687-P704 HydrophobicContact CE1-CB 3.68Å; F687-P704 HydrophobicContact CE1-CG 3.7Å; F687-P704 HydrophobicContact CE2-CB 3.92Å; F687-P704 HydrophobicContact CG-CB 4.09Å; F687-P704 HydrophobicContact CZ-CB 3.7Å; F687-P704 HydrophobicContact CZ-CG 3.91Å
705	L	65.1	Low	58.8	Low	58 Å²	58	96.4 Å²	96.4	30%	0.304	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126	158.2	-69.7	175	0	0	0	108.4	Y685 K686 V688 I707	Y685-L705 CarbonylContact C-O 3.56Å; Y685-L705 VanDerWaalsContact CA-O 3.31Å; Y685-L705 WeakPolarHBondContact CA-O 3.43Å; K686-L705 PolarHBondContact N-O 2.99Å; K686-L705 PolarHBondContact O-N 2.79Å; V688-L705 HydrophobicContact CG2-CB 4.44Å; V688-L705 HydrophobicContact CG2-CD1 3.42Å; V688-L705 VanDerWaalsContact CG2-CD1 3.42Å; V688-L705 HydrophobicContact CG2-CG 3.57Å; L705-I707 HydrophobicContact CB-CG1 4.38Å
706	K	70.9	Confident	58.1	Low	74 Å²	74	94.2 Å²	94.2	32%	0.322	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.9	163.3	-170	177.4	-176.1	177.3	0	108.1	D648 I683 Y685	D648-K706 IonicContact OD1-NZ 2.67Å; D648-K706 PolarHBondContact OD1-NZ 2.64Å; I683-K706 VanDerWaalsContact CD1-NZ 3.29Å; I683-K706 VanDerWaalsContact CG1-CE 3.5Å; I683-K706 HydrophobicContact CG2-CG 4.1Å; Y685-K706 HydrophobicContact CD1-CB 4.08Å; Y685-K706 HydrophobicContact CD1-CG 4.25Å; Y685-K706 HydrophobicContact CE1-CB 3.87Å; Y685-K706 HydrophobicContact CE1-CD 3.9Å; Y685-K706 HydrophobicContact CE1-CG 3.78Å; Y685-K706 WeakPolarHBondContact OH-CE 3.3Å
707	I	64	Low	57.3	Low	58 Å²	58	94.1 Å²	94.1	30%	0.297	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	147.6	177.6	-56.3	172.6	0	0	0	106.7	I683 M684 K686 L705	I683-I707 WeakPolarHBondContact CA-O 3.4Å; M684-I707 HydrophobicContact CB-CB 4.38Å; M684-I707 PolarHBondContact N-O 3.36Å; M684-I707 WeakPolarHBondContact O-CB 3.31Å; M684-I707 PolarHBondContact O-N 2.84Å; K686-I707 HydrophobicContact CB-CD1 3.76Å; K686-I707 HydrophobicContact CD-CD1 4.38Å; L705-I707 HydrophobicContact CB-CG1 4.38Å
708	F	63.2	Low	56.1	Low	134 Å²	134	98.3 Å²	98.3	59%	0.588	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	146.5	169.6	-64.8	-88.9	0	0	0	109.4	D682 I683	D682-F708 CarbonylContact O-C 3.49Å; D682-F708 VanDerWaalsContact O-CA 3.23Å; D682-F708 WeakPolarHBondContact O-CA 3.45Å; I683-F708 HydrophobicContact CD1-CD1 4.23Å; I683-F708 HydrophobicContact CD1-CE1 3.82Å; I683-F708 HydrophobicContact CG1-CD1 3.62Å; I683-F708 HydrophobicContact CG1-CE1 3.7Å
709	L	55.1	Low	54.6	Low	63 Å²	63	100.7 Å²	100.7	33%	0.33	50%	0.496	S	S	.	.			trans	-106.2	104	-177.2	-57.5	176.3	0	0	0	108.2	E677 D682 M684	E677-L709 HydrophobicContact CG-CD1 4.25Å; D682-L709 PolarHBondContact O-N 2.8Å; M684-L709 HydrophobicContact CB-CD1 4.41Å; M684-L709 HydrophobicContact CB-CD2 4.14Å; M684-L709 HydrophobicContact CB-CG 4.41Å; M684-L709 HydrophobicContact CE-CD2 4.2Å
710	E	50	Low	52.7	Low	180 Å²	180	110.8 Å²	110.8	84%	0.841	54%	0.535	S	S	*	.			trans	-80.8	152.2	171.8	-62.7	-178.6	167.3	0	0	109.5
711	D	38.9	Very low	51.1	Low	163 Å²	163	112 Å²	112	87%	0.872	55%	0.545	S	S	*	.			trans	-51	143.1	-169.4	-69.7	-71.5	0	0	0	114.8	E713	D711-E713 PolarHBondContact O-N 3.33Å
712	E	36.6	Very low	49.5	Very low	199 Å²	199	115.5 Å²	115.5	93%	0.93	56%	0.563	S	S	*	*	S	Bend	trans	-70.5	71.5	-173	-64.2	-173.8	142.2	0	0	114.6
713	E	40	Very low	47.9	Very low	167 Å²	167	116.9 Å²	116.9	78%	0.78	58%	0.577	S	S	*	*	S	Bend	trans	-130.9	1.8	164.5	-77.2	-160.8	162.6	0	0	115	D711	D711-E713 PolarHBondContact O-N 3.33Å
714	N	37	Very low	46.9	Very low	107 Å²	107	119.7 Å²	119.7	57%	0.572	58%	0.58	S	S	*	*			trans	-141.4	104.2	173.1	-71.3	-108.4	0	0	0	112.3	R58	R58-N714 PolarHBondContact NH1-ND2 3.37Å; R58-N714 PolarHBondContact NH1-OD1 3.42Å
715	D	32.6	Very low	45.3	Very low	159 Å²	159	120.7 Å²	120.7	85%	0.85	58%	0.582	S	S	*	*			trans	-64.7	177.9	167.7	-87.2	-64	0	0	0	113.6
716	E	36.6	Very low	44.2	Very low	166 Å²	166	121 Å²	121	78%	0.776	58%	0.584	S	S	*	*			trans	80.4	22	167.4	-51.8	-156.2	150.6	0	0	120.4	N718 S721	E716-N718 PolarHBondContact O-N 3.49Å; E716-S721 WeakPolarHBondContact O-CB 3.4Å; E716-S721 PolarHBondContact O-OG 2.93Å
717	M	37.2	Very low	42.9	Very low	130 Å²	130	125.5 Å²	125.5	64%	0.64	60%	0.6	S	S	*	*			trans	-99.8	48.8	170.5	-137.8	-174.1	-49.9	0	0	116.1
718	N	38	Very low	42	Very low	118 Å²	118	127.1 Å²	127.1	63%	0.631	61%	0.606	S	S	*	*			trans	-64.5	163.3	171	-100.2	-59.4	0	0	0	113.2	E716 Y720 S721 L722	E716-N718 PolarHBondContact O-N 3.49Å; N718-Y720 PolarHBondContact O-N 3.03Å; N718-S721 WeakPolarHBondContact O-CA 3.35Å; N718-S721 WeakPolarHBondContact O-CB 3.36Å; N718-S721 PolarHBondContact O-N 3.1Å; N718-L722 PolarHBondContact O-N 3.16Å
719	N	40.2	Very low	41	Very low	95 Å²	95	125 Å²	125	51%	0.508	60%	0.601	S	S	.	*	H	α-helix	trans	-58	-23.9	-178.3	-82.3	-50.4	0	0	0	115.2
720	Y	35.8	Very low	40.4	Very low	212 Å²	212	128.8 Å²	128.8	83%	0.831	62%	0.621	S	S	*	*	H	α-helix	trans	-73.8	-36.6	169.8	-106	-89	0	0	0	112.3	N718 L722 L723 R724	N718-Y720 PolarHBondContact O-N 3.03Å; Y720-L722 VanDerWaalsContact C-N 3.29Å; Y720-L722 PolarHBondContact O-N 2.78Å; Y720-L723 PolarHBondContact O-N 3.33Å; Y720-R724 VanDerWaalsContact O-CB 3.32Å; Y720-R724 WeakPolarHBondContact O-CB 3.45Å; Y720-R724 PolarHBondContact O-N 3.15Å
721	S	43.8	Very low	40.2	Very low	37 Å²	37	124.9 Å²	124.9	26%	0.259	61%	0.606	S	S	.	*	H	α-helix	trans	-61.9	-33.8	177.6	-166.6	0	0	0	0	111.7	E716 N718 R724 F725	E716-S721 WeakPolarHBondContact O-CB 3.4Å; E716-S721 PolarHBondContact O-OG 2.93Å; N718-S721 WeakPolarHBondContact O-CA 3.35Å; N718-S721 WeakPolarHBondContact O-CB 3.36Å; N718-S721 PolarHBondContact O-N 3.1Å; S721-R724 CarbonylContact O-C 3.49Å; S721-R724 PolarHBondContact O-N 3.21Å; S721-F725 WeakPolarHBondContact O-CA 3.42Å; S721-F725 WeakPolarHBondContact O-CB 3.43Å; S721-F725 PolarHBondContact O-N 3.09Å
722	L	41.9	Very low	40	Very low	73 Å²	73	120.1 Å²	120.1	38%	0.382	60%	0.595	S	S	.	*	H	α-helix	trans	-69.8	-39.9	179.3	-143.9	166.1	0	0	0	112.8	N718 Y720 L726	N718-L722 PolarHBondContact O-N 3.16Å; Y720-L722 VanDerWaalsContact C-N 3.29Å; Y720-L722 PolarHBondContact O-N 2.78Å; L722-L726 HydrophobicContact CD2-CD1 4.16Å; L722-L726 WeakPolarHBondContact O-CG 3.21Å; L722-L726 PolarHBondContact O-N 2.93Å
723	L	40.7	Very low	39.8	Very low	134 Å²	134	116.3 Å²	116.3	70%	0.702	59%	0.59	S	S	*	*	H	α-helix	trans	-68.1	-39	170.9	-97.6	138	0	0	0	111.8	Y720 Y727	Y720-L723 PolarHBondContact O-N 3.33Å; L723-Y727 PolarHBondContact O-N 3.08Å; L723-Y727 VanDerWaalsContact O-N 3.13Å
724	R	43.2	Very low	39.4	Very low	161 Å²	161	115.1 Å²	115.1	61%	0.608	59%	0.589	S	S	*	*	H	α-helix	trans	-68.6	-41	178.3	-176.1	169.7	170.7	165.6	-0.2	112.4	Y720 S721 L726 Y727 E728	Y720-R724 VanDerWaalsContact O-CB 3.32Å; Y720-R724 WeakPolarHBondContact O-CB 3.45Å; Y720-R724 PolarHBondContact O-N 3.15Å; S721-R724 CarbonylContact O-C 3.49Å; S721-R724 PolarHBondContact O-N 3.21Å; R724-L726 PolarHBondContact O-N 3.14Å; R724-Y727 CarbonylContact O-C 3.59Å; R724-Y727 WeakPolarHBondContact O-CA 3.27Å; R724-Y727 WeakPolarHBondContact O-CB 3.27Å; R724-Y727 PolarHBondContact O-N 3.05Å; R724-E728 HydrophobicContact CG-CG 4.23Å; R724-E728 IonicContact CZ-OE1 2.69Å; R724-E728 VanDerWaalsContact CZ-OE1 3.25Å; R724-E728 IonicContact NE-OE1 2.75Å; R724-E728 PolarHBondContact NE-OE1 2.69Å; R724-E728 IonicContact NE-OE2 3.68Å; R724-E728 IonicContact NH2-OE1 3.14Å; R724-E728 PolarHBondContact NH2-OE1 3.27Å; R724-E728 WeakPolarHBondContact O-CB 3.44Å; R724-E728 WeakPolarHBondContact O-CG 3.25Å; R724-E728 PolarHBondContact O-N 2.87Å
725	F	40.1	Very low	39	Very low	47 Å²	47	114.7 Å²	114.7	21%	0.206	59%	0.594	C	S	.	*	H	α-helix	trans	-60.7	-41.5	173.9	172.9	-111.5	0	0	0	112.1	K62 L66 S721 Y727 L729	K62-F725 HydrophobicContact CB-CZ 4.21Å; K62-F725 HydrophobicContact CD-CE2 4.05Å; K62-F725 HydrophobicContact CD-CZ 3.84Å; K62-F725 HydrophobicContact CG-CZ 4.04Å; L66-F725 HydrophobicContact CD1-CE1 4.2Å; L66-F725 HydrophobicContact CD1-CZ 4.43Å; L66-F725 HydrophobicContact CD2-CE1 4.37Å; S721-F725 WeakPolarHBondContact O-CA 3.42Å; S721-F725 WeakPolarHBondContact O-CB 3.43Å; S721-F725 PolarHBondContact O-N 3.09Å; F725-Y727 VanDerWaalsContact C-N 3.32Å; F725-Y727 PolarHBondContact O-N 3.04Å; F725-L729 HydrophobicContact CD1-CD1 4.05Å; F725-L729 HydrophobicContact CD2-CD1 4.17Å; F725-L729 HydrophobicContact CD2-CG 4.38Å; F725-L729 HydrophobicContact CE1-CD1 3.68Å; F725-L729 HydrophobicContact CE2-CD1 3.79Å; F725-L729 HydrophobicContact CE2-CG 4.19Å; F725-L729 HydrophobicContact CG-CD1 4.29Å; F725-L729 HydrophobicContact CZ-CD1 3.54Å; F725-L729 HydrophobicContact CZ-CG 4.42Å; F725-L729 WeakPolarHBondContact O-CB 3.38Å; F725-L729 VanDerWaalsContact O-CG 3.23Å; F725-L729 WeakPolarHBondContact O-CG 3.33Å; F725-L729 PolarHBondContact O-N 3.14Å
726	L	41.6	Very low	38.9	Very low	64 Å²	64	113.8 Å²	113.8	34%	0.335	59%	0.589	S	S	.	*	H	α-helix	trans	-63.3	-38.7	171.9	-71.7	168.7	0	0	0	111.8	L66 L722 R724 D730	L66-L726 HydrophobicContact CD2-CD2 3.56Å; L722-L726 HydrophobicContact CD2-CD1 4.16Å; L722-L726 WeakPolarHBondContact O-CG 3.21Å; L722-L726 PolarHBondContact O-N 2.93Å; R724-L726 PolarHBondContact O-N 3.14Å; L726-D730 PolarHBondContact O-N 2.78Å
727	Y	44.4	Very low	38.8	Very low	169 Å²	169	113 Å²	113	66%	0.663	60%	0.595	S	S	*	*	H	α-helix	trans	-73.4	-36.5	178.3	-162.5	-95	0	0	0	113	L723 R724 F725 N731	L723-Y727 PolarHBondContact O-N 3.08Å; L723-Y727 VanDerWaalsContact O-N 3.13Å; R724-Y727 CarbonylContact O-C 3.59Å; R724-Y727 WeakPolarHBondContact O-CA 3.27Å; R724-Y727 WeakPolarHBondContact O-CB 3.27Å; R724-Y727 PolarHBondContact O-N 3.05Å; F725-Y727 VanDerWaalsContact C-N 3.32Å; F725-Y727 PolarHBondContact O-N 3.04Å; Y727-N731 PolarHBondContact O-N 2.92Å; Y727-N731 PolarHBondContact O-ND2 2.79Å
728	E	45.8	Very low	38.6	Very low	92 Å²	92	115.8 Å²	115.8	43%	0.43	61%	0.607	S	S	.	*	H	α-helix	trans	-75	-28.8	177.2	-74.7	170.6	161.2	0	0	111.6	R724 N731 G732	R724-E728 HydrophobicContact CG-CG 4.23Å; R724-E728 IonicContact CZ-OE1 2.69Å; R724-E728 VanDerWaalsContact CZ-OE1 3.25Å; R724-E728 IonicContact NE-OE1 2.75Å; R724-E728 PolarHBondContact NE-OE1 2.69Å; R724-E728 IonicContact NE-OE2 3.68Å; R724-E728 IonicContact NH2-OE1 3.14Å; R724-E728 PolarHBondContact NH2-OE1 3.27Å; R724-E728 WeakPolarHBondContact O-CB 3.44Å; R724-E728 WeakPolarHBondContact O-CG 3.25Å; R724-E728 PolarHBondContact O-N 2.87Å; E728-N731 CarbonylContact O-C 3.6Å; E728-N731 PolarHBondContact O-N 3.02Å; E728-G732 VanDerWaalsContact O-CA 3.3Å; E728-G732 WeakPolarHBondContact O-CA 3.22Å; E728-G732 PolarHBondContact O-N 3.36Å
729	L	41.6	Very low	38.2	Very low	89 Å²	89	117.8 Å²	117.8	47%	0.466	62%	0.617	S	S	.	*	H	α-helix	trans	-71.6	-37.9	171.4	-76.8	171.6	0	0	0	113.5	L66 F725 N731 G732	L66-L729 HydrophobicContact CD1-CD1 3.46Å; L66-L729 VanDerWaalsContact CD1-CD1 3.46Å; F725-L729 HydrophobicContact CD1-CD1 4.05Å; F725-L729 HydrophobicContact CD2-CD1 4.17Å; F725-L729 HydrophobicContact CD2-CG 4.38Å; F725-L729 HydrophobicContact CE1-CD1 3.68Å; F725-L729 HydrophobicContact CE2-CD1 3.79Å; F725-L729 HydrophobicContact CE2-CG 4.19Å; F725-L729 HydrophobicContact CG-CD1 4.29Å; F725-L729 HydrophobicContact CZ-CD1 3.54Å; F725-L729 HydrophobicContact CZ-CG 4.42Å; F725-L729 WeakPolarHBondContact O-CB 3.38Å; F725-L729 VanDerWaalsContact O-CG 3.23Å; F725-L729 WeakPolarHBondContact O-CG 3.33Å; F725-L729 PolarHBondContact O-N 3.14Å; L729-N731 PolarHBondContact O-N 3.13Å; L729-G732 PolarHBondContact O-N 3.16Å
730	D	43	Very low	37.9	Very low	143 Å²	143	122.7 Å²	122.7	77%	0.765	64%	0.637	S	S	*	*	H	α-helix	trans	-67.1	-23.5	174.1	-104.7	-9	0	0	0	112.3	L726	L726-D730 PolarHBondContact O-N 2.78Å
731	N	44.4	Very low	37.6	Very low	97 Å²	97	119.2 Å²	119.2	52%	0.519	63%	0.633	S	S	.	*	H	α-helix	trans	-100.2	-14.9	176.9	-69.9	-69.2	0	0	0	114.1	Y727 E728 L729 C733	Y727-N731 PolarHBondContact O-N 2.92Å; Y727-N731 PolarHBondContact O-ND2 2.79Å; E728-N731 CarbonylContact O-C 3.6Å; E728-N731 PolarHBondContact O-N 3.02Å; L729-N731 PolarHBondContact O-N 3.13Å; N731-C733 PolarHBondContact O-N 2.66Å
732	G	35	Very low	37.2	Very low	63 Å²	63	123.1 Å²	123.1	65%	0.649	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	29.6	-171.5	0	0	0	0	0	116.3	E728 L729	E728-G732 VanDerWaalsContact O-CA 3.3Å; E728-G732 WeakPolarHBondContact O-CA 3.22Å; E728-G732 PolarHBondContact O-N 3.36Å; L729-G732 PolarHBondContact O-N 3.16Å
733	C	32.3	Very low	36.5	Very low	120 Å²	120	126 Å²	126	81%	0.811	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.9	26.7	178.1	-133.6	0	0	0	0	113.7	N731	N731-C733 PolarHBondContact O-N 2.66Å
734	N	31.5	Very low	35.9	Very low	142 Å²	142	122.9 Å²	122.9	76%	0.759	68%	0.678	S	S	*	*			trans	-138.9	110.8	158.5	-73.4	-63.7	0	0	0	108.9	D736	N734-D736 VanDerWaalsContact C-N 3.33Å; N734-D736 PolarHBondContact O-N 2.93Å
735	S	29.3	Very low	35.2	Very low	97 Å²	97	122.5 Å²	122.5	68%	0.678	69%	0.689	S	S	*	*			trans	-92.8	61.5	177.5	61.7	0	0	0	0	110.8
736	D	30.4	Very low	34.6	Very low	140 Å²	140	129.2 Å²	129.2	75%	0.749	72%	0.718	S	S	*	*			trans	-150.2	150.8	179.4	-80.9	-62.6	0	0	0	110.2	N734	N734-D736 VanDerWaalsContact C-N 3.33Å; N734-D736 PolarHBondContact O-N 2.93Å
737	V	34.6	Very low	34	Very low	149 Å²	149	135.3 Å²	135.3	90%	0.903	75%	0.745	S	S	*	*			trans	83.5	130.8	-177.3	-169.7	0	0	0	0	115.4
738	E	33.3	Very low	33.2	Very low	190 Å²	190	133.5 Å²	133.5	89%	0.888	75%	0.747	S	S	*	*			trans	-100.2	177.2	-168.3	-59.5	174.9	127.7	0	0	113.5
739	N	29.5	Very low	32.5	Very low	160 Å²	160	137 Å²	137	86%	0.856	77%	0.766	S	S	*	*			trans	-59.7	145.7	177.4	-65.7	-55.4	0	0	0	113.9
740	E	34.1	Very low	31.9	Very low	197 Å²	197	141.1 Å²	141.1	92%	0.921	78%	0.781	S	S	*	*				-148.1	151.7	123.1	-81.1	-149.4	150.4	0	0	110.3
741	N	30.2	Very low	31.2	Very low	140 Å²	140	141 Å²	141	75%	0.749	78%	0.78	S	S	*	*			trans	-113.2	149.3	175.6	-154	-2	0	0	0	106.8
742	P	34	Very low	30.5	Very low	118 Å²	118	145.2 Å²	145.2	77%	0.766	79%	0.793	S	S	*	*				-157	165.2	90.1	40	-21.2	0	0	0	117.2
743	T	27.6	Very low	30.4	Very low	134 Å²	134	152.3 Å²	152.3	82%	0.822	80%	0.802	S	S	*	*			trans	-78.2	132.7	153.6	46.7	0	0	0	0	111.5
744	G	28.5	Very low	30.2	Very low	68 Å²	68	157.8 Å²	157.8	70%	0.701	81%	0.807	S	S	*	*			trans	174.8	118.2	168.5	0	0	0	0	0	117.1
745	N	28	Very low	30.3	Very low	154 Å²	154	159.9 Å²	159.9	82%	0.824	81%	0.813	S	S	*	*			trans	40.5	104.5	152.9	-62.8	-18.5	0	0	0	120.1
746	F	28.3	Very low	30.4	Very low	188 Å²	188	160.6 Å²	160.6	83%	0.825	82%	0.818	S	S	*	*			trans	-142.8	44.1	145.5	-113	-69.6	0	0	0	114.5	N748	F746-N748 PolarHBondContact O-N 3.4Å
747	E	28.5	Very low	30.3	Very low	192 Å²	192	157.5 Å²	157.5	90%	0.897	82%	0.819	S	S	*	*			trans	-67.4	86.6	151.1	-79.2	-153.2	131.7	0	0	109
748	N	28.3	Very low	30.2	Very low	131 Å²	131	159.5 Å²	159.5	70%	0.701	82%	0.819	S	S	*	*			trans	171.6	92.5	147.2	-97.1	-62.7	0	0	0	111.5	F746	F746-N748 PolarHBondContact O-N 3.4Å
749	I	30.7	Very low	30.1	Very low	165 Å²	165	155.6 Å²	155.6	85%	0.846	81%	0.812	S	S	*	*				-144.3	95.5	128.4	-83.9	122.8	0	0	0	105.9
750	K	27.5	Very low	30.5	Very low	176 Å²	176	154 Å²	154	77%	0.765	81%	0.813	S	S	*	*			trans	-91.7	166.3	156.7	-99.4	178.5	178.1	168.3	0	108.9
751	D	29.6	Very low	30.3	Very low	141 Å²	141	153.5 Å²	153.5	75%	0.754	81%	0.811	S	S	*	*			trans	61.9	97.2	160.3	-50.8	-26.6	0	0	0	117.9
752	K	30	Very low	30.5	Very low	184 Å²	184	152.8 Å²	152.8	80%	0.8	82%	0.817	S	S	*	*				-159.2	145.9	122.9	-107.3	148.2	-164.8	167.6	0	113
753	Y	31.5	Very low	30.5	Very low	212 Å²	212	152.7 Å²	152.7	83%	0.831	82%	0.819	S	S	*	*			trans	70.9	54	173.1	-52.9	-64.3	0	0	0	118
754	Y	28	Very low	31.3	Very low	235 Å²	235	152 Å²	152	92%	0.922	82%	0.817	S	S	*	*				-81.9	127.6	117	-102.9	-94.1	0	0	0	108.1
755	E	33.6	Very low	31.7	Very low	187 Å²	187	154.5 Å²	154.5	87%	0.874	82%	0.821	S	S	*	*			trans	-157	141.2	133.1	-139.2	167.2	-162.4	0	0	110.9
756	S	31.2	Very low	31.9	Very low	111 Å²	111	151.9 Å²	151.9	78%	0.776	82%	0.821	S	S	*	*			trans	-81.3	140.2	-178.6	46.7	0	0	0	0	111.8
757	G	29.3	Very low	32.1	Very low	76 Å²	76	148.2 Å²	148.2	78%	0.784	82%	0.819	S	S	*	*			trans	-86.7	150	167.3	0	0	0	0	0	112.2
758	E	31.8	Very low	32.5	Very low	191 Å²	191	144.6 Å²	144.6	89%	0.893	81%	0.811	S	S	*	*			trans	-154.5	160.2	161.6	-137.9	177.3	-138.3	0	0	112.3
759	S	32	Very low	32.6	Very low	108 Å²	108	142.9 Å²	142.9	76%	0.755	81%	0.81	S	S	*	*			trans	60.8	103.9	173.4	71.5	0	0	0	0	119
760	S	37.1	Very low	32.6	Very low	125 Å²	125	143.1 Å²	143.1	87%	0.874	81%	0.812	S	S	*	*				-179.2	151.5	103.3	39.6	0	0	0	0	112.4
761	E	30.3	Very low	32.9	Very low	188 Å²	188	138.7 Å²	138.7	88%	0.879	81%	0.808	S	S	*	*			trans	-83.2	144.7	-169.5	-57.1	148.8	103.8	0	0	113
762	S	35	Very low	33	Very low	124 Å²	124	139.2 Å²	139.2	87%	0.867	81%	0.806	S	S	*	*				168.5	158	109.6	50.5	0	0	0	0	115.3
763	S	33.8	Very low	33.4	Very low	116 Å²	116	138.9 Å²	138.9	81%	0.811	81%	0.805	S	S	*	*			trans	-54.8	158.1	-165.9	-53.2	0	0	0	0	119.9
764	P	43.7	Very low	33.3	Very low	119 Å²	119	137.1 Å²	137.1	77%	0.773	81%	0.806	S	S	*	*			trans	-84.6	179.8	175.6	38.4	-39.1	0	0	0	113.4
765	P	36.4	Very low	33.7	Very low	121 Å²	121	134.2 Å²	134.2	79%	0.786	81%	0.805	S	S	*	*				-150.3	158.3	112	39.2	-23.9	0	0	0	118.1
766	A	33.2	Very low	34.2	Very low	100 Å²	100	134.4 Å²	134.4	83%	0.826	80%	0.803	S	S	*	*			trans	54.9	131.7	141.1	0	0	0	0	0	123.2
767	S	32.1	Very low	34.4	Very low	111 Å²	111	134.4 Å²	134.4	78%	0.776	80%	0.8	S	S	*	*			trans	-78.1	164.3	156.5	55.6	0	0	0	0	111.6
768	P	38.1	Very low	35.4	Very low	115 Å²	115	137.1 Å²	137.1	75%	0.747	80%	0.804	S	S	*	*				-154.4	153.5	100.8	40.8	-23.3	0	0	0	118.1
769	S	30.6	Very low	35.7	Very low	96 Å²	96	134.1 Å²	134.1	67%	0.671	80%	0.798	S	S	*	*			trans	36.4	133.9	140.4	72.3	0	0	0	0	125.2
770	L	29.8	Very low	35.7	Very low	170 Å²	170	138.7 Å²	138.7	89%	0.89	81%	0.805	S	S	*	*				85.4	148.5	129.5	-82.2	169.3	0	0	0	123.4
771	A	33.1	Very low	35.9	Very low	83 Å²	83	142.9 Å²	142.9	69%	0.686	81%	0.807	S	S	*	*			trans	81.9	113.9	154.7	0	0	0	0	0	121.2
772	E	33	Very low	36	Very low	151 Å²	151	143.1 Å²	143.1	71%	0.706	81%	0.805	S	S	*	*			trans	34.5	125.3	137.7	-47.7	-172.6	139.7	0	0	119.9
773	K	37.3	Very low	36.2	Very low	177 Å²	177	146.9 Å²	146.9	77%	0.77	81%	0.806	S	S	*	*				-165.9	167.8	67.3	-117.9	112.4	-175.1	158	0	114.7
774	M	30.2	Very low	36.3	Very low	175 Å²	175	147.7 Å²	147.7	86%	0.862	80%	0.801	S	S	*	*			trans	-55.9	149.4	176.5	-50.7	156.2	126	0	0	115
775	I	36.8	Very low	35.7	Very low	175 Å²	175	146.9 Å²	146.9	90%	0.897	80%	0.798	S	S	*	*			trans	-153.5	160	143.5	-103.4	146.5	0	0	0	109.9
776	K	43.1	Very low	35.7	Very low	190 Å²	190	150.7 Å²	150.7	83%	0.826	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-100.5	156.9	-161.8	-64.9	168.5	-178.4	171.1	0	113.4
777	P	36.2	Very low	35.8	Very low	111 Å²	111	150.8 Å²	150.8	72%	0.721	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-68.5	154.4	170.8	30.2	-36.2	0	0	0	112.6
778	P	48.8	Very low	36.1	Very low	133 Å²	133	150.8 Å²	150.8	86%	0.864	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-75.5	159.8	-175	30.4	-35.5	0	0	0	114.2
779	V	38.8	Very low	36	Very low	129 Å²	129	150.5 Å²	150.5	78%	0.782	80%	0.798	S	S	*	*			trans	-110.9	147.3	-166.6	176.8	0	0	0	0	112.3
780	K	33.2	Very low	36.4	Very low	204 Å²	204	151.1 Å²	151.1	89%	0.887	80%	0.802	S	S	*	*			trans	-47	134.4	172.2	-60.4	177.2	179.9	179.3	0	112
781	K	39.5	Very low	36.8	Very low	213 Å²	213	147.6 Å²	147.6	93%	0.926	79%	0.792	S	S	*	*			trans	-112	134.1	165.6	-78.5	-179.5	178.3	171.4	0	110.7
782	K	34.1	Very low	37.1	Very low	193 Å²	193	148.8 Å²	148.8	84%	0.839	80%	0.795	S	S	*	*			trans	-136.2	120	174.4	-169.4	-179.6	-175.7	-177.3	0	108
783	K	39.2	Very low	37.4	Very low	202 Å²	202	146.3 Å²	146.3	88%	0.878	79%	0.794	S	S	*	*			trans	-145.6	123.2	167.5	-70.9	-172.7	174	-173.4	0	105.7
784	N	35.5	Very low	37.4	Very low	134 Å²	134	142.9 Å²	142.9	72%	0.717	79%	0.793	S	S	*	*				83	89.4	52	-75.3	31.1	0	0	0	114.5
785	S	31.4	Very low	37.9	Very low	101 Å²	101	139.2 Å²	139.2	71%	0.706	78%	0.784	S	S	*	*				59.5	115.9	124.8	64.6	0	0	0	0	121.4
786	K	36	Very low	37.9	Very low	201 Å²	201	135.8 Å²	135.8	87%	0.874	78%	0.776	S	S	*	*			trans	169.8	136.9	133.1	-91.8	168.1	177.8	-171.7	0	107.5
787	S	35.1	Very low	37.8	Very low	103 Å²	103	132 Å²	132	72%	0.72	77%	0.774	S	S	*	*			cis	117.7	102.1	6.1	69.4	0	0	0	0	113.3
788	S	37.8	Very low	38.1	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	77%	0.773	S	S	*	*			trans	174.8	135.6	154.9	51.9	0	0	0	0	113
789	S	37.5	Very low	37.5	Very low	110 Å²	110	131 Å²	131	77%	0.769	77%	0.77	S	S	*	*			trans	37.2	147.3	141.1	59.1	0	0	0	0	121.8
790	S	37.9	Very low	37.5	Very low	108 Å²	108	130.7 Å²	130.7	76%	0.755	77%	0.773	S	S	*	*			cis	177.5	165	7.9	36.6	0	0	0	0	108.1
791	S	38.3	Very low	37.6	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	77%	0.772	S	S	*	*			cis	-174.4	-179.1	-13.8	52.9	0	0	0	0	109.2
792	S	38.9	Very low	37.6	Very low	108 Å²	108	121.7 Å²	121.7	76%	0.755	76%	0.763	S	S	*	*			trans	66.2	146	165.9	27.2	0	0	0	0	117.6
793	S	39.6	Very low	37.7	Very low	98 Å²	98	117.7 Å²	117.7	69%	0.685	76%	0.759	S	S	*	*			cis	-168.3	150.1	-4.5	43.3	0	0	0	0	112.4
794	S	38.5	Very low	37.7	Very low	106 Å²	106	113.1 Å²	113.1	74%	0.741	75%	0.753	S	S	*	*			trans	53	143.5	148.5	52.5	0	0	0	0	121.4
795	S	39.2	Very low	37.9	Very low	97 Å²	97	111.4 Å²	111.4	68%	0.678	75%	0.751	S	S	*	*			cis	-176.8	149.4	-2.4	44.4	0	0	0	0	112.9
796	S	37.3	Very low	38.3	Very low	103 Å²	103	111.8 Å²	111.8	72%	0.72	75%	0.754	S	S	*	*			trans	57.7	154.2	144.7	58.6	0	0	0	0	122.8
797	S	40.8	Very low	38.4	Very low	112 Å²	112	107.4 Å²	107.4	78%	0.783	75%	0.749	S	S	*	*			cis	-160.6	-146.6	-24.7	-72	0	0	0	0	108.2
798	P	43.1	Very low	38.6	Very low	108 Å²	108	107.8 Å²	107.8	70%	0.701	75%	0.751	S	S	*	*				-137.1	173.3	-123.7	40.9	-17.9	0	0	0	119.8
799	S	36.3	Very low	38.6	Very low	115 Å²	115	107.2 Å²	107.2	80%	0.804	75%	0.747	S	S	*	*			trans	56.3	134.1	139.6	64.3	0	0	0	0	123.8
800	S	37.7	Very low	38.7	Very low	122 Å²	122	107.1 Å²	107.1	85%	0.853	75%	0.747	S	S	*	*			trans	-140.7	167.1	152.6	62.5	0	0	0	0	110
801	S	36.6	Very low	38.7	Very low	123 Å²	123	106.6 Å²	106.6	86%	0.86	74%	0.743	S	S	*	*			trans	-162.8	134.7	-174.7	48.8	0	0	0	0	117.1
802	S	38.3	Very low	38.7	Very low	105 Å²	105	107.1 Å²	107.1	73%	0.734	75%	0.746	S	S	*	*			trans	-167.6	126.3	166	48	0	0	0	0	108.3
803	S	38	Very low	38.7	Very low	109 Å²	109	107 Å²	107	76%	0.762	75%	0.746	S	S	*	*				68.7	136.5	56.4	79.7	0	0	0	0	112.8
804	S	38.7	Very low	38.5	Very low	106 Å²	106	107.1 Å²	107.1	74%	0.741	75%	0.746	S	S	*	*			cis	-165.9	170.1	10.2	-11.2	0	0	0	0	108.5
805	S	38.9	Very low	38.2	Very low	97 Å²	97	108.7 Å²	108.7	68%	0.678	75%	0.746	S	S	*	*			cis	-179.4	174.5	-16.9	50.3	0	0	0	0	110.2
806	S	39.9	Very low	38.2	Very low	109 Å²	109	112.2 Å²	112.2	76%	0.762	75%	0.751	S	S	*	*			trans	68	152.4	160.4	34.3	0	0	0	0	119.3
807	S	38.6	Very low	37.8	Very low	110 Å²	110	112.7 Å²	112.7	77%	0.769	76%	0.755	S	S	*	*			cis	-156.2	164.4	5.8	26.4	0	0	0	0	115.2
808	S	38.5	Very low	37.7	Very low	111 Å²	111	112.7 Å²	112.7	78%	0.776	75%	0.752	S	S	*	*			trans	-39.6	171.7	168.5	53.1	0	0	0	0	118.6
809	S	38.4	Very low	37	Very low	98 Å²	98	112.7 Å²	112.7	69%	0.685	76%	0.755	S	S	*	*			cis	-160.6	142.1	28.7	37.1	0	0	0	0	110.6
810	S	39.2	Very low	36.8	Very low	108 Å²	108	112.1 Å²	112.1	76%	0.755	75%	0.751	S	S	*	*				59.7	141.9	75.1	91.9	0	0	0	0	115
811	S	38.1	Very low	36.5	Very low	96 Å²	96	115 Å²	115	67%	0.671	75%	0.748	S	S	*	*			cis	-158.4	168.1	19.8	-46	0	0	0	0	113.9
812	S	38.7	Very low	36.2	Very low	108 Å²	108	116.4 Å²	116.4	76%	0.755	75%	0.745	S	S	*	*			trans	18.5	151.1	139.4	63.1	0	0	0	0	121.6
813	S	38.2	Very low	35.9	Very low	106 Å²	106	119 Å²	119	74%	0.741	75%	0.75	S	S	*	*			cis	169.6	168.8	13	40.5	0	0	0	0	108.5
814	S	34.9	Very low	35.4	Very low	100 Å²	100	118.8 Å²	118.8	70%	0.699	75%	0.749	S	S	*	*			cis	-176.7	-177.3	-18	55	0	0	0	0	110.2
815	L	34.2	Very low	35	Very low	139 Å²	139	119.7 Å²	119.7	73%	0.728	75%	0.752	S	S	*	*			trans	79.5	126.7	159.5	-62	-179.4	0	0	0	123.7
816	H	38	Very low	34.6	Very low	171 Å²	171	124.4 Å²	124.4	79%	0.792	76%	0.761	S	S	*	*			trans	75.7	117.8	146.5	-62	-44.5	0	0	0	124.4
817	S	30	Very low	34.2	Very low	114 Å²	114	125.3 Å²	125.3	80%	0.797	76%	0.761	S	S	*	*			trans	-76.3	-172.6	165.8	-36.2	0	0	0	0	112.5
818	P	37.1	Very low	33.8	Very low	112 Å²	112	127.1 Å²	127.1	73%	0.727	76%	0.761	S	S	*	*			cis	-141.9	-175.6	3.3	43.9	-24.9	0	0	0	117.7
819	S	29.7	Very low	33.2	Very low	108 Å²	108	127.2 Å²	127.2	76%	0.755	76%	0.761	S	S	*	*			trans	80.6	102.7	146.3	-67.4	0	0	0	0	122.4
820	S	31.1	Very low	32.7	Very low	103 Å²	103	129 Å²	129	72%	0.72	77%	0.768	S	S	*	*				105.7	142.4	127	85	0	0	0	0	120.9
821	K	32.1	Very low	32.1	Very low	183 Å²	183	131.4 Å²	131.4	80%	0.796	77%	0.773	S	S	*	*			trans	77.6	125.5	163.2	-61.7	173	-176.8	171.2	0	119.3
822	L	29.3	Very low	31.8	Very low	151 Å²	151	134.1 Å²	134.1	79%	0.791	78%	0.778	S	S	*	*			trans	51	104.7	141	-62.6	165.6	0	0	0	118.6
823	N	32.6	Very low	31.4	Very low	160 Å²	160	138.3 Å²	138.3	86%	0.856	78%	0.783	S	S	*	*				-174.1	169.5	107.1	-92.3	-33	0	0	0	112.4
824	S	26.7	Very low	30.9	Very low	104 Å²	104	138 Å²	138	73%	0.727	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-90.7	153.4	-179.6	53.6	0	0	0	0	113.3
825	P	31.7	Very low	30.6	Very low	126 Å²	126	141.2 Å²	141.2	82%	0.818	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-100.7	130.9	148.6	33	-27.1	0	0	0	111.1
826	K	29.2	Very low	30.5	Very low	196 Å²	196	141.7 Å²	141.7	85%	0.852	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-81.8	153.2	146.9	-67.1	173.2	176.2	175.9	0	107.8
827	V	32.7	Very low	30.2	Very low	128 Å²	128	139.7 Å²	139.7	78%	0.776	79%	0.794	S	S	*	*			trans	172.6	94.9	150.6	146	0	0	0	0	104
828	I	30.1	Very low	30.2	Very low	148 Å²	148	140.8 Å²	140.8	76%	0.759	79%	0.791	S	S	*	*				85.4	126.6	85.3	-74.7	163.6	0	0	0	111.4
829	S	25	Very low	30	Very low	112 Å²	112	139 Å²	139	78%	0.783	79%	0.792	S	S	*	*			trans	-102	154.7	-176.2	-34.3	0	0	0	0	111.6
830	T	28.8	Very low	30	Very low	136 Å²	136	138.7 Å²	138.7	83%	0.834	79%	0.791	S	S	*	*			trans	-135.5	106.3	164.3	48.9	0	0	0	0	110.8
831	N	26.4	Very low	30	Very low	159 Å²	159	141.1 Å²	141.1	85%	0.85	80%	0.795	S	S	*	*			trans	-79.2	152.5	155.4	-76.2	-7.3	0	0	0	109
832	I	31	Very low	30	Very low	153 Å²	153	138.3 Å²	138.3	79%	0.785	79%	0.793	S	S	*	*			trans	163.7	140.2	163.4	-91.5	151.6	0	0	0	104.5
833	F	30.6	Very low	30	Very low	195 Å²	195	135.4 Å²	135.4	86%	0.855	79%	0.785	S	S	*	*			cis	-121.3	166.9	6.3	-115.9	-66.8	0	0	0	111.5
834	S	28.1	Very low	30.1	Very low	99 Å²	99	134.7 Å²	134.7	69%	0.692	78%	0.781	S	S	*	*			trans	-108.4	161	160.3	-53.5	0	0	0	0	109.6
835	N	29.1	Very low	30.2	Very low	168 Å²	168	135 Å²	135	90%	0.898	78%	0.779	S	S	*	*			trans	-135.1	121	155.5	-116.7	-10.4	0	0	0	109.9
836	Q	30.6	Very low	30.2	Very low	150 Å²	150	136.9 Å²	136.9	70%	0.701	78%	0.781	S	S	*	*			trans	-108.2	128.8	167.4	-68.2	177.3	-7.1	0	0	107.7	N838	Q836-N838 PolarHBondContact OE1-ND2 3.31Å
837	S	31.8	Very low	30.2	Very low	128 Å²	128	133 Å²	133	90%	0.895	77%	0.774	S	S	*	*			trans	-96.9	101.2	159.7	53.1	0	0	0	0	108.4
838	N	30.3	Very low	30.2	Very low	137 Å²	137	132.9 Å²	132.9	73%	0.733	78%	0.776	S	S	*	*			trans	-85.8	142.9	-178.7	-77.9	-63.3	0	0	0	112.1	Q836	Q836-N838 PolarHBondContact OE1-ND2 3.31Å
839	G	32.1	Very low	30.3	Very low	74 Å²	74	132.6 Å²	132.6	76%	0.763	78%	0.781	S	S	*	*			trans	161.1	130.4	168.4	0	0	0	0	0	112.1
840	S	30.1	Very low	30.4	Very low	103 Å²	103	136.2 Å²	136.2	72%	0.72	78%	0.784	S	S	*	*			cis	-164.3	137.1	-7.8	-154.6	0	0	0	0	110.8
841	L	31.5	Very low	30.6	Very low	153 Å²	153	139.1 Å²	139.1	80%	0.801	79%	0.788	S	S	*	*			trans	64.4	152.5	163.7	-54.6	159.7	0	0	0	115.4
842	T	32.3	Very low	30.8	Very low	124 Å²	124	140.6 Å²	140.6	76%	0.761	79%	0.787	S	S	*	*			cis	-147.2	-178.6	-2.3	-9.9	0	0	0	0	110.4
843	S	30.1	Very low	30.9	Very low	90 Å²	90	142.2 Å²	142.2	63%	0.629	79%	0.791	S	S	*	*			trans	-58.5	165.7	171.1	60.7	0	0	0	0	112.8
844	D	34.1	Very low	30.8	Very low	145 Å²	145	137.7 Å²	137.7	78%	0.775	78%	0.783	S	S	*	*			cis	-152.2	171.6	43	-115	-59.4	0	0	0	118.9
845	T	28.2	Very low	31	Very low	110 Å²	110	140.7 Å²	140.7	68%	0.675	79%	0.786	S	S	*	*			trans	-87.8	150.4	-173.2	-57.5	0	0	0	0	112.6
846	L	32.1	Very low	31.2	Very low	166 Å²	166	139 Å²	139	87%	0.869	78%	0.777	S	S	*	*				-177.8	157.1	128.2	-97.1	165.3	0	0	0	114.3
847	T	30.1	Very low	31.3	Very low	115 Å²	115	138.9 Å²	138.9	71%	0.706	78%	0.777	S	S	*	*			trans	-105.2	157.1	-169.9	45.4	0	0	0	0	113.9
848	P	32.5	Very low	31.4	Very low	125 Å²	125	138.7 Å²	138.7	81%	0.812	77%	0.772	S	S	*	*			trans	-87.3	163.3	-176.8	36.1	-37.2	0	0	0	114.5
849	T	31.1	Very low	31.4	Very low	142 Å²	142	136 Å²	136	87%	0.871	77%	0.765	S	S	*	*			trans	-129	153.2	173.2	-25.7	0	0	0	0	110.8
850	F	28.1	Very low	31.3	Very low	189 Å²	189	140.7 Å²	140.7	83%	0.829	77%	0.77	S	S	*	*			trans	-90.6	156.2	-178.6	-75	-102	0	0	0	113
851	E	33.3	Very low	31.3	Very low	197 Å²	197	143.1 Å²	143.1	92%	0.921	77%	0.772	S	S	*	*			trans	-153	172.5	138	-121	156.4	-146.6	0	0	111.8
852	K	30.6	Very low	31.3	Very low	190 Å²	190	144.5 Å²	144.5	83%	0.826	77%	0.774	S	S	*	*			trans	-141.8	140.5	-169	-70.8	176.8	176.3	175.5	0	112.5
853	E	32.3	Very low	31.2	Very low	186 Å²	186	146.9 Å²	146.9	87%	0.869	78%	0.777	S	S	*	*			trans	-162.2	130	151.9	-100.8	157.5	-161.1	0	0	105.5
854	S	29.3	Very low	31.3	Very low	100 Å²	100	149.8 Å²	149.8	70%	0.699	78%	0.781	S	S	*	*			cis	103.4	140.3	22.2	75.3	0	0	0	0	113.8
855	E	32.2	Very low	31.1	Very low	162 Å²	162	149.2 Å²	149.2	76%	0.757	78%	0.777	S	S	*	*			trans	68.4	142.3	-175.5	-63.2	-63.6	85.7	0	0	116.8
856	N	33.4	Very low	31	Very low	132 Å²	132	149.7 Å²	149.7	71%	0.706	78%	0.775	S	S	*	*			cis	-155.9	-167.9	-26.9	-154.3	-25.6	0	0	0	109.2
857	Q	31.4	Very low	31	Very low	149 Å²	149	150.7 Å²	150.7	70%	0.696	78%	0.775	S	S	*	*			trans	-131	175.3	176.9	-148.2	-173.6	88.2	0	0	109.8
858	P	35.5	Very low	31.2	Very low	123 Å²	123	149.8 Å²	149.8	80%	0.799	77%	0.772	S	S	*	*				-151.4	-179.3	87.3	39.7	-20.3	0	0	0	115.8
859	S	28.4	Very low	31.2	Very low	82 Å²	82	150.7 Å²	150.7	57%	0.573	77%	0.769	S	S	*	*			trans	-110.1	167.6	-179.3	59.7	0	0	0	0	113.3
860	I	32	Very low	31.2	Very low	172 Å²	172	153.2 Å²	153.2	88%	0.882	77%	0.769	S	S	*	*			trans	-133.2	146.2	157	-64.1	-176.2	0	0	0	108.4
861	M	28.1	Very low	31.1	Very low	154 Å²	154	150.9 Å²	150.9	76%	0.759	76%	0.763	S	S	*	*			trans	-127.3	159.4	-178.7	-54.7	174.7	-69	0	0	110.7
862	E	33.4	Very low	30.8	Very low	181 Å²	181	148.3 Å²	148.3	85%	0.846	76%	0.755	S	S	*	*			trans	-177.4	139.9	143.7	-101	155.6	-154.8	0	0	106.7
863	Q	28.5	Very low	30.6	Very low	175 Å²	175	145 Å²	145	82%	0.818	75%	0.746	S	S	*	*			cis	69.4	137.2	39	-65.9	-172.1	-24.6	0	0	114.2
864	E	32.3	Very low	30.3	Very low	151 Å²	151	141.8 Å²	141.8	71%	0.706	73%	0.734	S	S	*	*			cis	-132.7	-143.8	-26.1	-142.2	-146.9	121.7	0	0	108.2	N866	E864-N866 PolarHBondContact OE1-ND2 2.8Å
865	L	30.6	Very low	30.1	Very low	132 Å²	132	143.2 Å²	143.2	69%	0.691	73%	0.73	S	S	*	*			cis	-149.7	162	6.5	177.7	57.5	0	0	0	110
866	N	26.8	Very low	29.8	Very low	120 Å²	120	145 Å²	145	64%	0.642	73%	0.73	S	S	*	*			trans	-59.3	158.6	171.3	-60.2	-98	0	0	0	115.1	E864	E864-N866 PolarHBondContact OE1-ND2 2.8Å
867	Q	32.2	Very low	29.4	Very low	187 Å²	187	145.3 Å²	145.3	87%	0.874	73%	0.73	S	S	*	*				-174.6	166	113.2	-97.1	-171.8	74.8	0	0	114
868	P	33.3	Very low	29.2	Very low	97 Å²	97	144.8 Å²	144.8	63%	0.63	73%	0.732	S	S	*	*			trans	-131.2	172.5	-155.9	45.2	-31.7	0	0	0	118.9
869	D	31.9	Very low	29	Very low	143 Å²	143	144.7 Å²	144.7	77%	0.765	73%	0.73	S	S	*	*			trans	43.5	105.8	149	-58.7	-15.8	0	0	0	122.2
870	K	32	Very low	29.1	Very low	196 Å²	196	144 Å²	144	85%	0.852	74%	0.736	S	S	*	*			trans	-169.8	124	136.5	-95.5	143.4	-172.6	179.2	0	107.7
871	I	26.3	Very low	29.1	Very low	140 Å²	140	141.9 Å²	141.9	72%	0.718	72%	0.722	S	S	*	*				73.1	131.3	55.2	-52.8	162.4	0	0	0	111.7
872	L	26.9	Very low	29.3	Very low	143 Å²	143	141.8 Å²	141.8	75%	0.749	72%	0.724	S	S	*	*			trans	79.2	144.6	-177.6	-48.4	-169.8	0	0	0	114.7
873	D	26.3	Very low	29.3	Very low	119 Å²	119	139.7 Å²	139.7	64%	0.636	71%	0.712	S	S	*	*			cis	-159.6	171.6	-9.6	-114.6	-14.8	0	0	0	115.2
874	L	26.3	Very low	29.5	Very low	119 Å²	119	137.4 Å²	137.4	62%	0.623	71%	0.711	S	S	*	*			trans	12.1	129.4	153.7	-83.8	73.7	0	0	0	122.7
875	E	25.6	Very low	29.5	Very low	130 Å²	130	135.7 Å²	135.7	61%	0.607	71%	0.71	S	S	*	*				66	156.1	123	-62.2	-176.6	173.1	0	0	124.2
876	R	25.1	Very low	29.7	Very low	199 Å²	199	137 Å²	137	75%	0.751	71%	0.712	S	S	*	*			trans	72.9	119.1	161.1	-65.7	145.6	-151.5	-108.8	0.6	116.3
877	I	25.6	Very low	29.9	Very low	140 Å²	140	139.1 Å²	139.1	72%	0.718	72%	0.718	S	S	*	*				79.1	92.3	52.6	-61.7	160.7	0	0	0	112.6
878	N	26.6	Very low	29.8	Very low	137 Å²	137	134.3 Å²	134.3	73%	0.733	71%	0.705	S	S	*	*				177.7	129.2	120.9	-85.7	-27	0	0	0	107.9
879	T	30.1	Very low	29.6	Very low	122 Å²	122	135.9 Å²	135.9	75%	0.748	71%	0.707	S	S	*	*			cis	75.8	148	47.7	72.9	0	0	0	0	114.5
880	G	30.9	Very low	29.4	Very low	68 Å²	68	136.8 Å²	136.8	70%	0.701	71%	0.707	S	S	*	*			trans	140.8	50.5	-169	0	0	0	0	0	111.2
881	E	32.6	Very low	29.2	Very low	127 Å²	127	134.5 Å²	134.5	59%	0.593	70%	0.704	S	S	*	*				77.1	124	78.6	-73.4	-163	116.9	0	0	115.4	K883	E881-K883 WeakPolarHBondContact OE1-CE 3.45Å; E881-K883 IonicContact OE1-NZ 3.88Å; E881-K883 PolarHBondContact OE1-NZ 3.3Å; E881-K883 WeakPolarHBondContact OE2-CE 3.46Å; E881-K883 IonicContact OE2-NZ 3.34Å; E881-K883 PolarHBondContact OE2-NZ 2.98Å
882	N	32.8	Very low	29.2	Very low	151 Å²	151	133.8 Å²	133.8	81%	0.807	71%	0.706	S	S	*	*				-155.5	109.7	121.9	-84.1	-45.1	0	0	0	105.3
883	K	32.7	Very low	29.3	Very low	138 Å²	138	133.2 Å²	133.2	60%	0.6	71%	0.709	S	S	*	*				63.8	124.7	76.6	-69.6	171.9	174.1	142.3	0	110.9	E881	E881-K883 WeakPolarHBondContact OE1-CE 3.45Å; E881-K883 IonicContact OE1-NZ 3.88Å; E881-K883 PolarHBondContact OE1-NZ 3.3Å; E881-K883 WeakPolarHBondContact OE2-CE 3.46Å; E881-K883 IonicContact OE2-NZ 3.34Å; E881-K883 PolarHBondContact OE2-NZ 2.98Å
884	T	32.2	Very low	29.3	Very low	127 Å²	127	134.5 Å²	134.5	78%	0.779	72%	0.716	S	S	*	*			cis	-139.6	138.8	47.5	10.2	0	0	0	0	112.9
885	V	33.4	Very low	29.3	Very low	114 Å²	114	135.1 Å²	135.1	69%	0.691	72%	0.724	S	S	*	*				70.8	128	98.1	157.4	0	0	0	0	113.8
886	E	33.6	Very low	29.3	Very low	159 Å²	159	135.1 Å²	135.1	74%	0.743	73%	0.733	S	S	*	*			cis	-156.8	157.5	8.2	-124.3	167.4	-155.3	0	0	115.2
887	H	31	Very low	29.4	Very low	165 Å²	165	132 Å²	132	76%	0.764	74%	0.736	S	S	*	*			trans	13.5	154.7	139.4	-76.2	-53.3	0	0	0	122.1
888	S	31.5	Very low	29.6	Very low	86 Å²	86	131.8 Å²	131.8	60%	0.601	74%	0.737	S	S	*	*			cis	-177.6	172.8	10.6	-107.1	0	0	0	0	107.6
889	I	28.2	Very low	29.9	Very low	131 Å²	131	132.4 Å²	132.4	67%	0.672	74%	0.735	S	S	*	*			cis	-174.1	160.3	5.1	-112.6	165	0	0	0	107.9
890	E	28.5	Very low	30	Very low	162 Å²	162	131.5 Å²	131.5	76%	0.757	73%	0.726	S	S	*	*			trans	29.8	125.8	155.3	-63.9	161.5	-168.6	0	0	124.3
891	N	27.6	Very low	30.3	Very low	147 Å²	147	135 Å²	135	79%	0.786	73%	0.725	S	S	*	*				36.3	157.3	120.6	-68.8	-14	0	0	0	124.2
892	T	26.5	Very low	30.1	Very low	125 Å²	125	137.3 Å²	137.3	77%	0.767	73%	0.729	S	S	*	*			trans	89.2	135.6	149.6	20.3	0	0	0	0	122.1
893	T	27.9	Very low	30.2	Very low	131 Å²	131	138.4 Å²	138.4	80%	0.804	73%	0.726	S	S	*	*			trans	75.8	127.2	149.9	44.8	0	0	0	0	123.2
894	N	25.6	Very low	30.2	Very low	147 Å²	147	142.5 Å²	142.5	79%	0.786	74%	0.738	S	S	*	*			trans	-42.5	177.1	160.4	-52.6	-16.8	0	0	0	117.3
895	T	27.3	Very low	30	Very low	131 Å²	131	148.1 Å²	148.1	80%	0.804	75%	0.745	S	S	*	*			trans	77.8	122.4	174.8	67.3	0	0	0	0	113.5
896	V	26.2	Very low	30	Very low	131 Å²	131	147.4 Å²	147.4	79%	0.794	75%	0.745	S	S	*	*			cis	71	92.6	40.1	-172.5	0	0	0	0	112.8
897	T	26.8	Very low	29.6	Very low	132 Å²	132	144.9 Å²	144.9	81%	0.81	75%	0.745	S	S	*	*				-176.1	159.4	121.5	33.5	0	0	0	0	111.8
898	D	29.4	Very low	29.5	Very low	136 Å²	136	141.8 Å²	141.8	73%	0.727	74%	0.742	S	S	*	*			trans	-50.5	160.7	177.4	-47.5	-81.4	0	0	0	118.4
899	E	33.9	Very low	29.3	Very low	151 Å²	151	143 Å²	143	71%	0.706	75%	0.745	S	S	*	*				-167.9	107.1	116.9	-95	-85.5	96.6	0	0	107.8
900	N	31.2	Very low	29.2	Very low	103 Å²	103	144.6 Å²	144.6	55%	0.551	75%	0.75	S	S	*	*				61.5	122.3	90.8	-84	-52.3	0	0	0	116.5
901	M	36.5	Very low	29.2	Very low	140 Å²	140	141.1 Å²	141.1	69%	0.69	74%	0.744	S	S	*	*				166.8	145.2	118.6	-81.1	-100.2	-172.9	0	0	111.2
902	R	30.3	Very low	29.3	Very low	177 Å²	177	140.4 Å²	140.4	67%	0.668	74%	0.739	S	S	*	*			cis	-176.7	156.3	-31.7	-134.6	166.5	176	170.5	3	109.2
903	K	34.1	Very low	29.5	Very low	173 Å²	173	141.3 Å²	141.3	75%	0.752	74%	0.735	S	S	*	*			trans	75.2	145.2	166.9	-54.6	145.7	-177.8	169.4	0	114.6
904	R	33.2	Very low	29.6	Very low	224 Å²	224	140.1 Å²	140.1	85%	0.845	72%	0.723	S	S	*	*			cis	-137.6	153.3	-9.1	-88.3	129	174.2	-167.6	-3.2	106.4
905	R	27.8	Very low	29.8	Very low	246 Å²	246	138.7 Å²	138.7	93%	0.928	72%	0.716	S	S	*	*			cis	82.1	74.2	28.5	-136.2	-168.8	-156.3	-158.7	6.9	116.2
906	S	33.6	Very low	29.9	Very low	99 Å²	99	136.4 Å²	136.4	69%	0.692	70%	0.702	S	S	*	*			trans	-169	130.5	155.2	47.7	0	0	0	0	106.1
907	S	25.4	Very low	30.1	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	69%	0.693	S	S	*	*				48.6	127.6	71.7	74	0	0	0	0	112.2
908	S	28.7	Very low	30.2	Very low	100 Å²	100	140 Å²	140	70%	0.699	69%	0.69	S	S	*	*			cis	-150.6	-167.3	29.5	-55.5	0	0	0	0	113.1
909	T	26.8	Very low	30.5	Very low	110 Å²	110	140.3 Å²	140.3	68%	0.675	69%	0.692	S	S	*	*			trans	-19.9	157.2	146.6	55.4	0	0	0	0	116
910	E	27	Very low	30.9	Very low	166 Å²	166	138.1 Å²	138.1	78%	0.776	69%	0.691	S	S	*	*			cis	-161.5	-170	38.9	-144.8	128.5	-144.2	0	0	113.5
911	S	28.3	Very low	30.9	Very low	89 Å²	89	139 Å²	139	62%	0.622	70%	0.7	S	S	*	*			trans	-49.7	159.7	168	40.8	0	0	0	0	113.4
912	L	30	Very low	30.5	Very low	132 Å²	132	139.9 Å²	139.9	69%	0.691	71%	0.706	S	S	*	*				-150.9	140.8	60.9	-105.7	91.8	0	0	0	110.3
913	E	29.7	Very low	30.4	Very low	143 Å²	143	136.2 Å²	136.2	67%	0.668	70%	0.703	S	S	*	*				60.4	140.2	89.5	-69	-171.6	-159.2	0	0	114.1
914	N	29.8	Very low	30.1	Very low	106 Å²	106	131.8 Å²	131.8	57%	0.567	69%	0.694	S	S	*	*			cis	-164.4	162.1	7.7	-125.1	-25.7	0	0	0	111.9
915	N	29.6	Very low	29.8	Very low	118 Å²	118	129.8 Å²	129.8	63%	0.631	69%	0.692	S	S	*	*			trans	41.1	141.9	135.1	-65.9	-28.3	0	0	0	121.7
916	T	29	Very low	29.8	Very low	83 Å²	83	124.1 Å²	124.1	51%	0.509	68%	0.678	S	S	.	*			cis	174.6	166.5	4.9	29.8	0	0	0	0	110.7
917	K	30.4	Very low	29.7	Very low	139 Å²	139	127.1 Å²	127.1	60%	0.604	68%	0.681	S	S	*	*			trans	69.9	155.9	146.1	-68.2	149	-158.4	141.4	0	116
918	R	29.3	Very low	29.8	Very low	198 Å²	198	128.2 Å²	128.2	75%	0.747	68%	0.679	S	S	*	*			cis	-163.1	138.8	-8.1	-112.9	162.4	-172	159.6	-0.8	108.5
919	D	36.4	Very low	29.9	Very low	143 Å²	143	129.4 Å²	129.4	77%	0.765	68%	0.678	S	S	*	*				23.1	158.1	107	-64.8	-15.2	0	0	0	120.6
920	P	41.8	Very low	29.9	Very low	105 Å²	105	130.2 Å²	130.2	68%	0.682	68%	0.678	S	S	*	*			cis	-143.4	-177.8	-16.3	35.1	-13.4	0	0	0	115.9
921	T	32.2	Very low	30	Very low	121 Å²	121	127.5 Å²	127.5	74%	0.742	67%	0.672	S	S	*	*			trans	6.8	135.5	134.8	-45.9	0	0	0	0	120.1
922	I	27.6	Very low	30	Very low	160 Å²	160	131 Å²	131	82%	0.821	68%	0.679	S	S	*	*			trans	176.5	141	141.1	-96.3	148.8	0	0	0	108.6
923	T	27.3	Very low	29.9	Very low	100 Å²	100	132.1 Å²	132.1	61%	0.613	68%	0.68	S	S	*	*			cis	-160.9	158.7	-17.4	-80.2	0	0	0	0	108.7
924	S	27.9	Very low	29.8	Very low	79 Å²	79	132 Å²	132	55%	0.552	69%	0.685	S	S	*	*			trans	-58.5	160	172	56.4	0	0	0	0	115.6
925	F	28.2	Very low	29.8	Very low	183 Å²	183	132.9 Å²	132.9	80%	0.803	69%	0.693	S	S	*	*			trans	-176.9	105.9	130.2	-86.8	-61.7	0	0	0	107.3
926	I	26.4	Very low	29.9	Very low	126 Å²	126	136.1 Å²	136.1	65%	0.646	71%	0.705	S	S	*	*				61	93.7	79.5	-55.3	169.1	0	0	0	113.4
927	H	31.5	Very low	29.8	Very low	162 Å²	162	136.1 Å²	136.1	75%	0.75	71%	0.708	S	S	*	*				-177.9	123.6	124.8	-106.3	-83.2	0	0	0	106.6
928	N	27.8	Very low	29.8	Very low	130 Å²	130	138.3 Å²	138.3	70%	0.695	72%	0.72	S	S	*	*				57.2	98	54.3	-109.6	58.2	0	0	0	113.8
929	D	31	Very low	30	Very low	125 Å²	125	134.8 Å²	134.8	67%	0.668	73%	0.726	S	S	*	*			trans	143.8	143.7	133.8	-77.3	-39.6	0	0	0	110.8
930	N	27.3	Very low	29.7	Very low	127 Å²	127	133.8 Å²	133.8	68%	0.679	73%	0.73	S	S	*	*			cis	170.7	151.3	-18.6	-130.4	-48.7	0	0	0	104.9
931	V	27.7	Very low	29.3	Very low	108 Å²	108	134 Å²	134	66%	0.655	74%	0.735	S	S	*	*			trans	73.8	148.8	149.8	169.6	0	0	0	0	120.6
932	Q	29	Very low	29.5	Very low	164 Å²	164	134.5 Å²	134.5	77%	0.766	74%	0.737	S	S	*	*			trans	71.9	146	167.3	-82	149.7	-3.2	0	0	118.1
933	Q	28.4	Very low	29.8	Very low	155 Å²	155	132.6 Å²	132.6	72%	0.724	73%	0.733	S	S	*	*			cis	160.2	163.8	-27.9	-107.2	-180	-22.9	0	0	106.8
934	N	27.8	Very low	30	Very low	141 Å²	141	132.3 Å²	132.3	75%	0.754	74%	0.735	S	S	*	*			trans	72.3	126	175	-57.9	-12.8	0	0	0	114.5
935	V	29.4	Very low	30.5	Very low	124 Å²	124	135 Å²	135	75%	0.752	74%	0.743	S	S	*	*			cis	77.2	100.3	43	-180	0	0	0	0	112.2
936	E	30.7	Very low	30.8	Very low	186 Å²	186	134.8 Å²	134.8	87%	0.869	75%	0.745	S	S	*	*			trans	175.3	162.4	141.8	-98.1	167	-169.8	0	0	108.2
937	S	28.8	Very low	31.1	Very low	83 Å²	83	133.4 Å²	133.4	58%	0.58	75%	0.746	S	S	*	*			cis	-179.5	133.2	-37.9	-100.5	0	0	0	0	108.7
938	Q	29.9	Very low	31.3	Very low	185 Å²	185	133.1 Å²	133.1	86%	0.864	75%	0.747	S	S	*	*			trans	55.8	133.9	149.7	-54.1	174.5	31.3	0	0	121.5
939	S	32.9	Very low	31.6	Very low	124 Å²	124	134.5 Å²	134.5	87%	0.867	75%	0.749	S	S	*	*				-161.8	162.3	128.1	43.1	0	0	0	0	110.6
940	S	30.2	Very low	31.8	Very low	121 Å²	121	134.1 Å²	134.1	85%	0.846	75%	0.747	S	S	*	*			trans	-157.4	157.8	-165.3	60.4	0	0	0	0	114.8
941	S	34.1	Very low	32.1	Very low	111 Å²	111	135.7 Å²	135.7	78%	0.776	75%	0.747	S	S	*	*			trans	-162.5	142	171.3	35.4	0	0	0	0	110
942	V	35.3	Very low	32.2	Very low	130 Å²	130	135.4 Å²	135.4	79%	0.788	75%	0.75	S	S	*	*			cis	94.5	117.3	35.5	166.9	0	0	0	0	111.5
943	T	34.2	Very low	32.3	Very low	121 Å²	121	133 Å²	133	74%	0.742	75%	0.752	S	S	*	*			cis	-159.5	148.3	4.5	10.4	0	0	0	0	115
944	S	31.9	Very low	32.4	Very low	93 Å²	93	132.4 Å²	132.4	65%	0.65	75%	0.753	S	S	*	*			trans	43.1	145.6	136	76.4	0	0	0	0	125.7
945	D	37.5	Very low	32.7	Very low	136 Å²	136	134.4 Å²	134.4	73%	0.727	75%	0.751	S	S	*	*				169	129.7	121.3	-81.6	0.6	0	0	0	109.2
946	Q	35.3	Very low	32.9	Very low	179 Å²	179	136.4 Å²	136.4	84%	0.836	75%	0.749	S	S	*	*				68.8	132.7	65.5	-71.1	-157.9	46.9	0	0	114.7
947	S	33.1	Very low	33	Very low	96 Å²	96	134.8 Å²	134.8	67%	0.671	74%	0.739	S	S	*	*			cis	-166.6	179.3	-3.8	-168.5	0	0	0	0	112.7
948	M	36.1	Very low	33.3	Very low	157 Å²	157	135.9 Å²	135.9	77%	0.773	74%	0.739	S	S	*	*			trans	85.5	116	164.2	-61.7	-165.4	-68.6	0	0	118.8
949	E	33.6	Very low	33.4	Very low	158 Å²	158	135.3 Å²	135.3	74%	0.738	74%	0.736	S	S	*	*				71.4	139.3	80.6	-67.5	-153.1	148.3	0	0	114.3
950	L	33.9	Very low	33.3	Very low	118 Å²	118	135.4 Å²	135.4	62%	0.618	73%	0.731	S	S	*	*			cis	-164.4	-161.6	-8.5	-100.9	173.7	0	0	0	106.5
951	K	34.4	Very low	33.4	Very low	160 Å²	160	136.2 Å²	136.2	70%	0.696	73%	0.731	S	S	*	*			cis	-162.6	104.4	9.3	-139.6	148.1	-169.1	146.8	0	113.5
952	S	28.9	Very low	33.2	Very low	102 Å²	102	138.3 Å²	138.3	71%	0.713	73%	0.733	S	S	*	*			trans	56.4	150.6	137.2	65.9	0	0	0	0	126
953	S	33	Very low	33.1	Very low	114 Å²	114	135.9 Å²	135.9	80%	0.797	74%	0.735	S	S	*	*			trans	88.9	154.5	151.4	81	0	0	0	0	120.2
954	L	29.7	Very low	32.8	Very low	142 Å²	142	138.9 Å²	138.9	74%	0.743	74%	0.74	S	S	*	*			cis	-174	171.3	-47.2	-114.4	169.1	0	0	0	111.5
955	Y	33.4	Very low	32.9	Very low	183 Å²	183	144 Å²	144	72%	0.718	75%	0.751	S	S	*	*			trans	76.7	130.3	177.4	-66.4	-95	0	0	0	116
956	K	34.1	Very low	32.6	Very low	166 Å²	166	144.9 Å²	144.9	72%	0.722	75%	0.751	S	S	*	*			cis	80.1	141	46.9	-70.4	-177.9	178.3	175.3	0	113
957	K	33.8	Very low	32.6	Very low	152 Å²	152	143.6 Å²	143.6	66%	0.661	75%	0.745	S	S	*	*			cis	-166.3	158.5	-0.9	-124.7	-174.3	157	-80.9	0	112
958	D	33.3	Very low	32.6	Very low	106 Å²	106	143.4 Å²	143.4	57%	0.567	74%	0.743	S	S	*	*			trans	62.2	146.5	145.5	-57.6	-11.9	0	0	0	126.1
959	Q	33	Very low	32.3	Very low	172 Å²	172	143.8 Å²	143.8	80%	0.804	75%	0.747	S	S	*	*			trans	87.5	93.7	143.4	-83.2	168.5	92.1	0	0	124.4
960	V	29.5	Very low	32.5	Very low	127 Å²	127	141 Å²	141	77%	0.77	74%	0.743	S	S	*	*				33.3	134.3	109.3	-175.9	0	0	0	0	121.4
961	V	33.4	Very low	32.5	Very low	137 Å²	137	141.6 Å²	141.6	83%	0.83	75%	0.752	S	S	*	*			trans	178.3	149.4	130.9	145.2	0	0	0	0	112.4
962	D	30.1	Very low	32.6	Very low	155 Å²	155	138.8 Å²	138.8	83%	0.829	75%	0.752	S	S	*	*			trans	-91.2	175.2	-173.3	-49	-89	0	0	0	116.8
963	G	33.1	Very low	32.9	Very low	80 Å²	80	139.2 Å²	139.2	83%	0.825	76%	0.755	S	S	*	*			trans	179.8	128.1	164.9	0	0	0	0	0	116.8
964	E	28.5	Very low	33	Very low	183 Å²	183	138.2 Å²	138.2	86%	0.855	75%	0.748	S	S	*	*			trans	-96.8	168	175.2	-53.5	178.8	107.9	0	0	113.4
965	F	33.5	Very low	33.3	Very low	200 Å²	200	137.6 Å²	137.6	88%	0.877	75%	0.75	S	S	*	*			trans	-167.3	166.1	140.5	-117.6	-79.1	0	0	0	113.7
966	Q	31.1	Very low	33.5	Very low	155 Å²	155	136.4 Å²	136.4	72%	0.724	76%	0.755	S	S	*	*			trans	-119.7	172.3	-168.1	-53.5	-179	1.5	0	0	114.9
967	H	36.2	Very low	33.9	Very low	153 Å²	153	133.7 Å²	133.7	71%	0.708	76%	0.755	S	S	*	*				162.6	115.1	124.3	-88.7	-70.2	0	0	0	119.4
968	S	32.6	Very low	33.8	Very low	91 Å²	91	132.1 Å²	132.1	64%	0.636	76%	0.763	S	S	*	*			trans	40.4	119.6	136.3	56.8	0	0	0	0	128
969	L	29.4	Very low	33.9	Very low	165 Å²	165	131.8 Å²	131.8	86%	0.864	77%	0.769	S	S	*	*				46.4	166.7	111.3	-64	164.2	0	0	0	123.5
970	P	38.6	Very low	33.7	Very low	99 Å²	99	129.7 Å²	129.7	64%	0.643	77%	0.768	S	S	*	*			cis	-145.7	-163.7	-46.4	44.1	-24.8	0	0	0	116.5
971	T	32.8	Very low	33.9	Very low	132 Å²	132	131.1 Å²	131.1	81%	0.81	77%	0.77	S	S	*	*			trans	72.8	153.6	157	46.4	0	0	0	0	121.8
972	S	36.3	Very low	33.7	Very low	100 Å²	100	129.6 Å²	129.6	70%	0.699	77%	0.765	S	S	*	*			cis	-173.2	152.4	-11.8	53	0	0	0	0	116.3
973	S	36.3	Very low	33.9	Very low	111 Å²	111	127.4 Å²	127.4	78%	0.776	76%	0.762	S	S	*	*			trans	72.5	162.2	151.6	118.2	0	0	0	0	120.3
974	S	35.2	Very low	34	Very low	93 Å²	93	128.7 Å²	128.7	65%	0.65	76%	0.758	S	S	*	*			cis	-178.2	172.4	-24.5	55.2	0	0	0	0	113.1
975	V	36	Very low	34.3	Very low	130 Å²	130	124.9 Å²	124.9	79%	0.788	75%	0.752	S	S	*	*			trans	74.5	152	161.9	-177.4	0	0	0	0	118.4
976	L	37.3	Very low	34.4	Very low	157 Å²	157	120.7 Å²	120.7	82%	0.822	75%	0.748	S	S	*	*				-162.7	172.2	-52.4	-98.2	173.7	0	0	0	108.6
977	P	42.1	Very low	34.5	Very low	109 Å²	109	118.8 Å²	118.8	71%	0.708	75%	0.751	S	S	*	*			trans	-119	-172.2	-161.5	45.3	-37.9	0	0	0	116.8
978	S	31.8	Very low	34.6	Very low	119 Å²	119	117 Å²	117	83%	0.832	75%	0.753	S	S	*	*			trans	150	166.7	154.4	-64	0	0	0	0	109.5
979	S	34.9	Very low	34.6	Very low	100 Å²	100	118.3 Å²	118.3	70%	0.699	76%	0.762	S	S	*	*			cis	-161.9	131.7	14.9	56.3	0	0	0	0	115
980	T	28.7	Very low	34.8	Very low	128 Å²	128	115.5 Å²	115.5	79%	0.785	76%	0.757	S	S	*	*			trans	49.8	169.9	141	42.1	0	0	0	0	125.8
981	I	34	Very low	34.7	Very low	157 Å²	157	115.8 Å²	115.8	81%	0.805	76%	0.758	S	S	*	*			trans	93.4	114.9	174	-52.8	164.6	0	0	0	113.4
982	S	28.9	Very low	34.7	Very low	104 Å²	104	114.3 Å²	114.3	73%	0.727	75%	0.754	S	S	*	*			cis	101.5	99.6	9.3	-50.7	0	0	0	0	117.4
983	S	35.3	Very low	34.6	Very low	109 Å²	109	114.9 Å²	114.9	76%	0.762	76%	0.758	S	S	*	*			trans	169.8	138.7	137.6	58.4	0	0	0	0	115
984	S	35.3	Very low	34.4	Very low	108 Å²	108	114.8 Å²	114.8	76%	0.755	75%	0.754	S	S	*	*			trans	45.4	147	144.5	53.2	0	0	0	0	122.7
985	S	33.9	Very low	34.4	Very low	103 Å²	103	116.3 Å²	116.3	72%	0.72	76%	0.762	S	S	*	*			cis	-172.4	-178.9	-6.6	51.2	0	0	0	0	111.4
986	S	34.7	Very low	34.1	Very low	112 Å²	112	115.7 Å²	115.7	78%	0.783	76%	0.758	S	S	*	*			trans	69.8	106.7	157.6	36.9	0	0	0	0	120.5
987	S	35.2	Very low	33.8	Very low	115 Å²	115	117.1 Å²	117.1	80%	0.804	76%	0.758	S	S	*	*			trans	-74.9	-171.8	160.2	-28	0	0	0	0	112
988	P	37.3	Very low	33.1	Very low	114 Å²	114	117.8 Å²	117.8	74%	0.74	76%	0.76	S	S	*	*			cis	-139.3	-173.2	-4.5	40.8	-22.1	0	0	0	116.3
989	S	33.1	Very low	32.8	Very low	119 Å²	119	118.3 Å²	118.3	83%	0.832	76%	0.758	S	S	*	*			trans	102.3	141.2	145	76.7	0	0	0	0	121
990	S	33.1	Very low	32.6	Very low	107 Å²	107	118.8 Å²	118.8	75%	0.748	76%	0.757	S	S	*	*			trans	-91	175.4	-172.8	55.6	0	0	0	0	112.2
991	P	36.4	Very low	32.7	Very low	104 Å²	104	118.1 Å²	118.1	68%	0.675	75%	0.753	S	S	*	*			cis	-157	163	31.3	43.4	-21	0	0	0	122.1
992	S	32.1	Very low	32.6	Very low	102 Å²	102	119.8 Å²	119.8	71%	0.713	76%	0.755	S	S	*	*			trans	70.5	153.3	137.9	72.5	0	0	0	0	123.2
993	S	35	Very low	32.6	Very low	112 Å²	112	121.3 Å²	121.3	78%	0.783	75%	0.754	S	S	*	*			trans	90.2	147.6	164.1	-48.6	0	0	0	0	116.3
994	P	33	Very low	32.3	Very low	109 Å²	109	121.5 Å²	121.5	71%	0.708	76%	0.755	S	S	*	*			trans	-116	159.8	-136.6	40.6	-33.4	0	0	0	116.1
995	P	34.7	Very low	32.2	Very low	124 Å²	124	122.7 Å²	122.7	81%	0.805	75%	0.752	S	S	*	*			trans	-79.4	149.2	155.9	34.6	-32.2	0	0	0	111.3
996	V	30.2	Very low	32.2	Very low	117 Å²	117	124.6 Å²	124.6	71%	0.709	75%	0.75	S	S	*	*			trans	-95.4	168.1	162.8	-178.7	0	0	0	0	108
997	F	29.3	Very low	32.2	Very low	188 Å²	188	127.5 Å²	127.5	83%	0.825	75%	0.748	S	S	*	*			trans	104	154	162.4	-70.2	-78.6	0	0	0	120.2
998	T	28.6	Very low	32.1	Very low	122 Å²	122	127 Å²	127	75%	0.748	74%	0.744	S	S	*	*			trans	62	90.5	168.3	45.2	0	0	0	0	117.5
999	T	26.1	Very low	31.8	Very low	130 Å²	130	129.8 Å²	129.8	80%	0.798	75%	0.748	S	S	*	*			trans	-41.9	132.4	142.3	-44	0	0	0	0	111.4
1000	T	28.9	Very low	31.8	Very low	110 Å²	110	132.2 Å²	132.2	68%	0.675	75%	0.751	S	S	*	*			trans	-125	88.6	168.3	-54.6	0	0	0	0	109	F1002	T1000-F1002 HydrophobicContact CG2-CD2 4.42Å; T1000-F1002 HydrophobicContact CG2-CE2 4.17Å
1001	T	32	Very low	31.6	Very low	115 Å²	115	131.9 Å²	131.9	71%	0.706	75%	0.748	S	S	*	*			trans	-72	124.3	170.7	-45	0	0	0	0	108.5
1002	F	31.2	Very low	31.5	Very low	192 Å²	192	132.1 Å²	132.1	84%	0.842	75%	0.752	S	S	*	*			trans	-80.2	150.1	172.1	-96.5	-90.7	0	0	0	111.3	T1000	T1000-F1002 HydrophobicContact CG2-CD2 4.42Å; T1000-F1002 HydrophobicContact CG2-CE2 4.17Å
1003	I	28.9	Very low	31.4	Very low	135 Å²	135	135.2 Å²	135.2	69%	0.692	76%	0.761	S	S	*	*			trans	-110.4	137.2	-154.7	-63.9	166.1	0	0	0	112	L1005	I1003-L1005 HydrophobicContact CG2-CG 4.01Å
1004	S	29.8	Very low	31.3	Very low	114 Å²	114	135.8 Å²	135.8	80%	0.797	77%	0.765	S	S	*	*			trans	-138.1	114.1	139	-71	0	0	0	0	106.1
1005	L	32.4	Very low	31.1	Very low	132 Å²	132	135.3 Å²	135.3	69%	0.691	76%	0.764	S	S	*	*				66.8	123.5	69.6	-70.4	166	0	0	0	112	I1003	I1003-L1005 HydrophobicContact CG2-CG 4.01Å
1006	E	33.9	Very low	31.1	Very low	143 Å²	143	136.5 Å²	136.5	67%	0.668	76%	0.762	S	S	*	*			cis	-165.6	169.4	1.8	-160	-177.7	-136.9	0	0	111.8
1007	K	35.1	Very low	31.1	Very low	174 Å²	174	137.5 Å²	137.5	76%	0.757	76%	0.764	S	S	*	*			trans	84.1	138.3	160.4	-56.7	174.5	-163.5	179	0	117.7
1008	S	33.9	Very low	31	Very low	103 Å²	103	136 Å²	136	72%	0.72	76%	0.764	S	S	*	*			cis	-162	119.3	-12.3	45	0	0	0	0	114.7
1009	Q	30.9	Very low	31.2	Very low	174 Å²	174	138.1 Å²	138.1	81%	0.813	77%	0.769	S	S	*	*			trans	36.4	122.6	133.7	-67.2	-73.8	7.8	0	0	121.2
1010	L	32.2	Very low	31.2	Very low	170 Å²	170	136.5 Å²	136.5	89%	0.89	76%	0.763	S	S	*	*				-155.5	149.5	125.3	-111.1	153.7	0	0	0	111.7
1011	S	30.1	Very low	31.3	Very low	99 Å²	99	138.9 Å²	138.9	69%	0.692	77%	0.77	S	S	*	*			trans	-82.4	169.8	-170.3	57.6	0	0	0	0	113.3
1012	S	34.1	Very low	31.1	Very low	110 Å²	110	142 Å²	142	77%	0.769	77%	0.774	S	S	*	*			cis	-164.6	157.5	37.4	52.4	0	0	0	0	115.9
1013	N	28.5	Very low	31.1	Very low	167 Å²	167	137.9 Å²	137.9	89%	0.893	77%	0.769	S	S	*	*			trans	-90.7	151.7	175.5	-55.7	-41.6	0	0	0	113.7
1014	S	33.3	Very low	31.2	Very low	124 Å²	124	136.9 Å²	136.9	87%	0.867	77%	0.769	S	S	*	*			trans	-161.9	133.7	139.5	56.7	0	0	0	0	112.2
1015	S	30.3	Very low	31.1	Very low	98 Å²	98	138.6 Å²	138.6	69%	0.685	77%	0.769	S	S	*	*			trans	-88.8	163.7	172.3	-173.1	0	0	0	0	111.6
1016	I	33.4	Very low	31.1	Very low	150 Å²	150	137.4 Å²	137.4	77%	0.769	77%	0.772	S	S	*	*				179	117.8	126.4	-91.6	155.6	0	0	0	112.4
1017	D	31.5	Very low	30.9	Very low	138 Å²	138	140 Å²	140	74%	0.738	78%	0.781	S	S	*	*			trans	46.6	151.7	137.3	-45.1	-18.6	0	0	0	125.4
1018	D	27.2	Very low	30.7	Very low	156 Å²	156	140.8 Å²	140.8	83%	0.834	79%	0.788	S	S	*	*			trans	-51.8	157	176.3	-64.1	-64.5	0	0	0	116.9
1019	I	31.8	Very low	30.4	Very low	166 Å²	166	141.9 Å²	141.9	85%	0.851	79%	0.79	S	S	*	*				-153.4	139.9	129	-105.4	150.8	0	0	0	111.1
1020	S	25.2	Very low	30.4	Very low	96 Å²	96	142.2 Å²	142.2	67%	0.671	79%	0.791	S	S	*	*			trans	-102.9	137.2	179.7	-179.3	0	0	0	0	111.9
1021	I	32.4	Very low	30.1	Very low	160 Å²	160	140.7 Å²	140.7	82%	0.821	78%	0.784	S	S	*	*			trans	-129	129.1	160.8	-60.9	-176.2	0	0	0	109.7
1022	K	27.8	Very low	30	Very low	180 Å²	180	145.5 Å²	145.5	78%	0.783	80%	0.795	S	S	*	*			trans	-107.1	154.5	175.6	-56.8	167.7	-179	171.6	0	109.9
1023	S	30.6	Very low	29.5	Very low	107 Å²	107	144.6 Å²	144.6	75%	0.748	79%	0.789	S	S	*	*			trans	-177	113.9	144.2	-83.9	0	0	0	0	109.6
1024	T	31.8	Very low	29.3	Very low	113 Å²	113	143.5 Å²	143.5	69%	0.693	78%	0.783	S	S	*	*				60.6	144	87.5	65.6	0	0	0	0	115.5
1025	N	26.8	Very low	29	Very low	150 Å²	150	146.6 Å²	146.6	80%	0.802	78%	0.784	S	S	*	*			cis	-177.4	127.5	-14	-103.7	-16.1	0	0	0	109.4
1026	S	32.2	Very low	28.6	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	79%	0.79	S	S	*	*			trans	169.9	117.7	150.1	49.8	0	0	0	0	109.5
1027	K	29.1	Very low	28.3	Very low	197 Å²	197	148.3 Å²	148.3	86%	0.857	79%	0.793	S	S	*	*				53.2	113.6	81.3	-67.4	-173.1	174.4	-173	0	111.4
1028	E	31.7	Very low	28	Very low	192 Å²	192	146.7 Å²	146.7	90%	0.897	79%	0.788	S	S	*	*				-148.9	-174.8	62.6	-111.4	166.4	-164.5	0	0	114.6
1029	T	27.3	Very low	28.1	Very low	125 Å²	125	145.7 Å²	145.7	77%	0.767	79%	0.788	S	S	*	*			trans	-129	135.3	-163.8	52.5	0	0	0	0	113.5
1030	H	31.9	Very low	27.8	Very low	182 Å²	182	146.9 Å²	146.9	84%	0.843	78%	0.783	S	S	*	*			trans	-158.1	150.2	140	-118.6	-71.7	0	0	0	113.9
1031	N	25.4	Very low	28	Very low	138 Å²	138	150.3 Å²	150.3	74%	0.738	79%	0.794	S	S	*	*			trans	-65.6	143.7	-177.8	-41.8	-40.2	0	0	0	113
1032	Q	27.5	Very low	27.8	Very low	199 Å²	199	148.1 Å²	148.1	93%	0.93	79%	0.788	S	S	*	*				-168	179.5	111.6	-103.1	168.2	16.8	0	0	111.9
1033	S	24	Very low	27.8	Very low	92 Å²	92	145.9 Å²	145.9	64%	0.643	79%	0.785	S	S	*	*			trans	-96.3	158.6	-161.1	55.3	0	0	0	0	115.4
1034	N	24.3	Very low	27.8	Very low	143 Å²	143	150.9 Å²	150.9	77%	0.765	79%	0.789	S	S	*	*			trans	88.3	161.7	159.6	-49.2	-32.9	0	0	0	118.1
1035	H	26.1	Very low	27.5	Very low	190 Å²	190	151.5 Å²	151.5	88%	0.88	79%	0.788	S	S	*	*			trans	76.2	138.6	174.4	-80.2	-87.2	0	0	0	119.5
1036	C	23.2	Very low	27.6	Very low	121 Å²	121	152.5 Å²	152.5	82%	0.818	79%	0.79	S	S	*	*			trans	-74	155.3	171.2	-54.6	0	0	0	0	110.4
1037	I	26.4	Very low	27.3	Very low	163 Å²	163	151.9 Å²	151.9	84%	0.836	79%	0.785	S	S	*	*			trans	-125.5	125.8	160.2	-64.7	-178.9	0	0	0	107.8
1038	V	25.7	Very low	27.3	Very low	103 Å²	103	148.7 Å²	148.7	62%	0.624	78%	0.782	S	S	*	*			trans	-84.2	137.1	171.1	175.7	0	0	0	0	108.5	Y1040	V1038-Y1040 HydrophobicContact CB-CE2 4.33Å; V1038-Y1040 HydrophobicContact CG1-CD2 3.93Å; V1038-Y1040 HydrophobicContact CG1-CE2 3.9Å; V1038-Y1040 HydrophobicContact CG1-CG 4.49Å
1039	T	28.4	Very low	27.1	Very low	136 Å²	136	148.7 Å²	148.7	83%	0.834	78%	0.779	S	S	*	*			trans	-104.3	110	161.8	43.7	0	0	0	0	109.3
1040	Y	25.1	Very low	27.2	Very low	191 Å²	191	152.8 Å²	152.8	75%	0.749	79%	0.787	S	S	*	*			trans	-73.7	147.2	168.8	-67.9	-102	0	0	0	110	V1038	V1038-Y1040 HydrophobicContact CB-CE2 4.33Å; V1038-Y1040 HydrophobicContact CG1-CD2 3.93Å; V1038-Y1040 HydrophobicContact CG1-CE2 3.9Å; V1038-Y1040 HydrophobicContact CG1-CG 4.49Å
1041	N	31	Very low	27.1	Very low	167 Å²	167	150.2 Å²	150.2	89%	0.893	78%	0.784	S	S	*	*			trans	-116.9	137.8	142.6	-82.1	-15.8	0	0	0	106.8
1042	T	26.9	Very low	27.2	Very low	114 Å²	114	152.2 Å²	152.2	70%	0.699	79%	0.789	S	S	*	*			trans	-88.2	-161.9	173.7	48.6	0	0	0	0	110.2
1043	D	28.8	Very low	27.4	Very low	134 Å²	134	148.8 Å²	148.8	72%	0.717	78%	0.784	S	S	*	*			trans	91.7	125.6	164.2	-58.1	20.4	0	0	0	113.7
1044	Y	30	Very low	27.6	Very low	212 Å²	212	149 Å²	149	83%	0.831	79%	0.786	S	S	*	*			cis	-149.1	156	0.7	-138.6	-95.2	0	0	0	110.5
1045	D	26.8	Very low	27.8	Very low	125 Å²	125	150.1 Å²	150.1	67%	0.668	79%	0.786	S	S	*	*			trans	-100.6	137.4	-179.9	178.9	2.8	0	0	0	111.3	S1047	D1045-S1047 PolarHBondContact OD1-N 3.35Å
1046	M	28.7	Very low	28.1	Very low	172 Å²	172	148.9 Å²	148.9	85%	0.847	78%	0.781	S	S	*	*			trans	-143.8	90.1	163.8	-85.9	-149.3	68.3	0	0	112.1
1047	S	24.3	Very low	28.4	Very low	93 Å²	93	147.9 Å²	147.9	65%	0.65	78%	0.775	S	S	*	*			trans	-67.9	129.2	167.1	-68	0	0	0	0	113.4	D1045	D1045-S1047 PolarHBondContact OD1-N 3.35Å
1048	T	30.8	Very low	28.8	Very low	130 Å²	130	148.5 Å²	148.5	80%	0.798	78%	0.78	S	S	*	*			trans	-130.8	109.2	156.1	48.3	0	0	0	0	110.8
1049	K	26.8	Very low	29.1	Very low	192 Å²	192	150.4 Å²	150.4	84%	0.835	79%	0.787	S	S	*	*			trans	-76.5	143.1	175.1	-57.1	179.7	178.8	-172.7	0	110.8
1050	F	30.1	Very low	29.2	Very low	212 Å²	212	151 Å²	151	93%	0.93	78%	0.783	S	S	*	*			trans	-138.6	160.2	148.2	-104.3	-80	0	0	0	110.2
1051	T	28.6	Very low	29.6	Very low	127 Å²	127	145.5 Å²	145.5	78%	0.779	79%	0.785	S	S	*	*			trans	-114.1	133.9	-150.2	-44.8	0	0	0	0	112.7
1052	E	27.1	Very low	29.6	Very low	181 Å²	181	144.6 Å²	144.6	85%	0.846	78%	0.78	S	S	*	*			trans	-73.7	148.6	167.2	-63.5	-176.5	132.9	0	0	112.5
1053	P	32	Very low	29.8	Very low	126 Å²	126	146.3 Å²	146.3	82%	0.818	78%	0.784	S	S	*	*			trans	-107.6	138.9	150.7	34.7	-26.4	0	0	0	111.6
1054	S	28.5	Very low	29.8	Very low	98 Å²	98	144.5 Å²	144.5	69%	0.685	78%	0.782	S	S	*	*			trans	-88.6	163.3	-170.7	-30.1	0	0	0	0	114.7
1055	Q	29.4	Very low	30	Very low	166 Å²	166	142.4 Å²	142.4	78%	0.776	78%	0.784	S	S	*	*			trans	67.8	160.2	163.4	-65	163.4	-105.8	0	0	114.8
1056	E	31.1	Very low	30	Very low	163 Å²	163	140.8 Å²	140.8	76%	0.762	78%	0.783	S	S	*	*			cis	-145.4	166.3	10.1	-151.9	140.8	-123	0	0	110.9
1057	S	30.1	Very low	30	Very low	101 Å²	101	143.3 Å²	143.3	71%	0.706	79%	0.785	S	S	*	*			trans	-96.2	146.5	179	56.8	0	0	0	0	113
1058	D	34.2	Very low	30.2	Very low	175 Å²	175	144.8 Å²	144.8	94%	0.936	79%	0.79	S	S	*	*			trans	-163.1	168.2	146.4	-107	-20.4	0	0	0	111.6
1059	D	31.6	Very low	30.1	Very low	143 Å²	143	145.1 Å²	145.1	77%	0.765	79%	0.792	S	S	*	*			trans	-139.5	170.3	-149.7	-168.2	13.6	0	0	0	114.9
1060	I	32.5	Very low	30.3	Very low	148 Å²	148	147.1 Å²	147.1	76%	0.759	81%	0.809	S	S	*	*			trans	80.7	129.2	163.9	-51.3	164.6	0	0	0	118.5
1061	G	31.5	Very low	30.4	Very low	76 Å²	76	143.9 Å²	143.9	78%	0.784	80%	0.803	S	S	*	*			trans	-168.7	31.5	177	0	0	0	0	0	120.3
1062	L	31.7	Very low	30.4	Very low	149 Å²	149	144.8 Å²	144.8	78%	0.78	80%	0.804	S	S	*	*			trans	-46.5	146.9	-175.1	-67.2	164.6	0	0	0	117.7
1063	N	31.4	Very low	30.6	Very low	149 Å²	149	142.8 Å²	142.8	80%	0.797	80%	0.802	S	S	*	*				177.9	122.9	111.1	-97	-60.9	0	0	0	117.7
1064	S	29.7	Very low	30.6	Very low	97 Å²	97	143.8 Å²	143.8	68%	0.678	80%	0.801	S	S	*	*			trans	54.1	129.5	143.3	74.7	0	0	0	0	120.5
1065	L	33.1	Very low	30.7	Very low	167 Å²	167	146.6 Å²	146.6	87%	0.874	81%	0.808	S	S	*	*				-167.1	164.6	74.9	-102.5	162.9	0	0	0	112.9
1066	S	27.5	Very low	30.8	Very low	92 Å²	92	145.3 Å²	145.3	64%	0.643	81%	0.811	S	S	*	*			trans	-86.9	159.7	-179.5	55	0	0	0	0	114.3
1067	Y	28.8	Very low	30.7	Very low	224 Å²	224	144.1 Å²	144.1	88%	0.878	81%	0.814	S	S	*	*				-159.4	169.1	128	-114.7	-74.9	0	0	0	113.4
1068	T	28.6	Very low	30.8	Very low	125 Å²	125	147.4 Å²	147.4	77%	0.767	82%	0.822	S	S	*	*			trans	-97.3	145.7	-164.8	-46.9	0	0	0	0	113.5
1069	V	28.4	Very low	30.5	Very low	136 Å²	136	145.1 Å²	145.1	82%	0.824	81%	0.813	S	S	*	*			trans	-93.4	149.7	173.4	-179.3	0	0	0	0	111.2
1070	I	31.5	Very low	30.4	Very low	235 Å²	235	145.3 Å²	145.3	100%	1.205	82%	0.817	S	S	*	*			trans	-102.1	0	177.6	-64.3	176	0	0	0	110.2

Retrieved 1,070 of 1,070 residues in 660.4 ms (Link to these results)

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