A0A5K4F713_SCHMA Loading...

THAP-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F713, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,013 aa.

						>A0A5K4F713_SCHMA|A0A5K4F713
MPTTCGFPNCRFRSRYRGAEDNRHFYRVPKKPAILRKKWLEAIGRTEETIVSQLRVCSGHFYGGEKHEGDVPVADPAVDEPIRVELPPKISRFSSTVNKRNSYGTRGGGGVGRGRGLHHTQGIRNKMCFLKSGMLNYMTKHNNCLNLLGSFKPKHTLASNSTQSSPTLRNDHKIRSNKPIHLNATNIINHNNDSNNPLTWFNNLYSPHIYDYLKTISLNTSTSSLSELNTSKKYLYDPRKHFNSTSISKDQSILQNYSHQSPQQINYPINKYTSLIHTSRCYTPLTSTTIGLTNLIQNEDSILKKSSSSPFNNNNNNNNNGNINSINNIINDNKPQSAFSSVTSTFNNHNNNNDINISKDFIDNNDYVMKSSFLSNKEQFSLNITTDNINKNKFQSTMSIPFKSNQSINYYLSLATIMNDVLTKKLTDTYINSSKYPSHIEHYQTHLKDEYNPLNIMNPINEFNEIKDLSIKSEYIKEYSNIMKFYTKKSNEFSPLNHYEQNSMETIDDKMKDNGNYMKMNNCDQFEQQNEIVHCNSLQLKEERSNQLEDIPSLNQIVQYVIFIGIDELTVEMPILHDVINPLCIQYSDIKNLPEHIRQNVSDMVTYQEIVLSVEYLQYFSFLKNIYIPECLNSKNCWDELKNLGINLHIVPLELDVNKSADFIIGIILSTYYDIMSIYMNEKNQPTVKRPASSPSQSIVNQLVQINKPLHNHTNDIIFKHTTTTNDQAIGNIVSNNQGTRLNTERNIQIGIIGLGPISLTIIRQLEKFNYNIRVFDKFLPDGIDTVLNFNYTNNYEEIIHRSDWIIFIQESSIMKDMRSFGRSNGCSLLTVNEIFNENMKAKMKSGCHILYINLVDDYPHELITLNTLAHSGYAADIYVLLRKSCENLTSEFNIQKSPNLICLNNKLNRLQVQSEELRRSISQFLRRNLLKNLMFIPKFTEITQTDEFKNKTEPRHKMTLNNQKMNPTINTLKKNTNTHQKLPPHGIKKHLTFGINSLVASKTLKYYPTHCG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.9	Very low	33.4	Very low	181 Å²	181	107.9 Å²	107.9	89%	0.892	62%	0.621	S	S	*	*				0	126.9	0	-58.2	174.2	97.6	0	0	110.1	T3 P76	M1-T3 PolarHBondContact O-N 3Å; M1-P76 HydrophobicContact CE-CG 4.29Å
2	P	26.6	Very low	33.4	Very low	122 Å²	122	104 Å²	104	79%	0.792	59%	0.591	S	S	*	*			trans	-84.5	100.5	175.3	32.3	-31.4	0	0	0	111.2	T4	P2-T4 PolarHBondContact O-N 3.4Å
3	T	34.3	Very low	33.8	Very low	60 Å²	60	110.9 Å²	110.9	37%	0.368	60%	0.602	S	S	.	*			trans	-86.1	50.4	-172.3	54.4	0	0	0	0	113.8	M1 S14	M1-T3 PolarHBondContact O-N 3Å; T3-S14 WeakPolarHBondContact CG2-OG 3.34Å
4	T	35.5	Very low	33.9	Very low	89 Å²	89	106.2 Å²	106.2	55%	0.546	58%	0.582	S	S	.	*			trans	-135.2	113.9	-176.1	48	0	0	0	0	112.8	P2 G6	P2-T4 PolarHBondContact O-N 3.4Å; T4-G6 PolarHBondContact O-N 2.9Å
5	C	35	Very low	34.3	Very low	47 Å²	47	108.7 Å²	108.7	32%	0.318	58%	0.579	S	S	.	*			trans	-53.1	127.4	161.9	43.1	0	0	0	0	110.9	F7 C10	C5-F7 HydrophobicContact CB-CD2 4.42Å; C5-F7 PolarHBondContact O-N 3.38Å; C5-C10 HydrophobicContact CB-CB 4.06Å; C5-C10 WeakPolarHBondContact CB-SG 3.4Å; C5-C10 WeakPolarHBondContact SG-CB 3.4Å; C5-C10 CovalentContact SG-SG 2.03Å; C5-C10 PolarHBondContact SG-SG 2.99Å
6	G	33.5	Very low	34.3	Very low	85 Å²	85	109.9 Å²	109.9	88%	0.876	57%	0.574	S	S	*	*	S	Bend	trans	-69.6	27.8	-174.3	0	0	0	0	0	116.9	T4	T4-G6 PolarHBondContact O-N 2.9Å
7	F	34.3	Very low	34.6	Very low	83 Å²	83	118.7 Å²	118.7	36%	0.364	60%	0.598	S	S	.	*			trans	-103.2	127.3	-176.8	-78.2	-85.9	0	0	0	111.1	C5 N9 C10 V84	C5-F7 HydrophobicContact CB-CD2 4.42Å; C5-F7 PolarHBondContact O-N 3.38Å; F7-N9 PolarHBondContact O-N 3.22Å; F7-C10 HydrophobicContact CB-CB 3.46Å; F7-C10 VanDerWaalsContact CB-CB 3.46Å; F7-C10 HydrophobicContact CG-CB 4.44Å; F7-C10 PolarHBondContact O-N 3.43Å; F7-V84 HydrophobicContact CE1-CB 4.31Å; F7-V84 WeakPolarHBondContact CE1-O 3.43Å; F7-V84 HydrophobicContact CZ-CB 3.86Å; F7-V84 HydrophobicContact CZ-CG2 4.32Å
8	P	33.4	Very low	34.5	Very low	126 Å²	126	114.8 Å²	114.8	82%	0.818	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	4.2	-175.3	-28.4	35.8	0	0	0	118.5
9	N	34.4	Very low	34.8	Very low	156 Å²	156	114.5 Å²	114.5	83%	0.834	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.7	8	173.6	-74.6	-89.4	0	0	0	113.1	F7 R11	F7-N9 PolarHBondContact O-N 3.22Å; N9-R11 PolarHBondContact O-N 2.9Å
10	C	32.6	Very low	34.9	Very low	41 Å²	41	118.5 Å²	118.5	28%	0.277	62%	0.624	S	S	.	*			trans	-84.9	105.7	-173.2	179.1	0	0	0	0	111.1	C5 F7 F12	C5-C10 HydrophobicContact CB-CB 4.06Å; C5-C10 WeakPolarHBondContact CB-SG 3.4Å; C5-C10 WeakPolarHBondContact SG-CB 3.4Å; C5-C10 CovalentContact SG-SG 2.03Å; C5-C10 PolarHBondContact SG-SG 2.99Å; F7-C10 HydrophobicContact CB-CB 3.46Å; F7-C10 VanDerWaalsContact CB-CB 3.46Å; F7-C10 HydrophobicContact CG-CB 4.44Å; F7-C10 PolarHBondContact O-N 3.43Å; C10-F12 PolarHBondContact O-N 2.8Å; C10-F12 WeakPolarHBondContact SG-CD2 3.48Å
11	R	39.1	Very low	35.1	Very low	197 Å²	197	114.8 Å²	114.8	74%	0.743	60%	0.604	S	S	*	*			trans	-87.3	27.3	-174.2	-136	179.5	-148.9	170.1	14.1	114.3	N9 R13 S132	N9-R11 PolarHBondContact O-N 2.9Å; R11-R13 PolarHBondContact O-N 3.21Å; R11-S132 PolarHBondContact NH1-OG 3.46Å; R11-S132 PolarHBondContact NH2-OG 3.2Å
12	F	33.4	Very low	35.4	Very low	61 Å²	61	113.2 Å²	113.2	27%	0.268	60%	0.6	S	S	.	*			trans	-82.1	110	176	-70	-119.1	0	0	0	109	C10 Y26 R27	C10-F12 PolarHBondContact O-N 2.8Å; C10-F12 WeakPolarHBondContact SG-CD2 3.48Å; F12-Y26 HydrophobicContact CD1-CD1 4.15Å; F12-Y26 HydrophobicContact CE1-CD1 4.43Å; F12-R27 WeakPolarHBondContact CE1-O 3.29Å; F12-R27 WeakPolarHBondContact CZ-O 3.44Å
13	R	38.3	Very low	36	Very low	194 Å²	194	113.2 Å²	113.2	73%	0.732	58%	0.584	S	S	*	*			trans	-113.6	141	150.7	-82.9	-175.3	166.9	-166.5	-3.9	107.1	R11	R11-R13 PolarHBondContact O-N 3.21Å
14	S	36.3	Very low	36.3	Very low	45 Å²	45	113.8 Å²	113.8	32%	0.315	58%	0.582	S	S	.	*			trans	-58.7	141.5	164.6	46.5	0	0	0	0	109.5	T3	T3-S14 WeakPolarHBondContact CG2-OG 3.34Å
15	R	39.6	Very low	36.5	Very low	144 Å²	144	116 Å²	116	54%	0.543	58%	0.584	S	S	.	*			trans	-98	-4.7	-176.2	-77	-161.6	-178.6	-149.8	-2.1	114.4	R17 N136	R15-R17 PolarHBondContact O-N 2.77Å; R15-N136 PolarHBondContact NH2-OD1 2.84Å
16	Y	33.9	Very low	36.9	Very low	128 Å²	128	120.4 Å²	120.4	50%	0.502	60%	0.595	S	S	.	*			trans	-81.6	112.3	174.6	-84.9	-89.6	0	0	0	110.5	D21 F25	Y16-D21 HydrophobicContact CD1-CB 4.47Å; Y16-D21 HydrophobicContact CE1-CB 4.48Å; Y16-F25 AromaticContact CE2-CD2 3.93Å; Y16-F25 HydrophobicContact CE2-CD2 3.93Å; Y16-F25 HydrophobicContact CE2-CE2 4.25Å
17	R	39.3	Very low	37.7	Very low	259 Å²	259	124.1 Å²	124.1	98%	0.977	58%	0.583	S	S	*	*			trans	-116.3	78.7	152.8	-85.3	-169	168.6	-155.7	-3.4	106.5	R15	R15-R17 PolarHBondContact O-N 2.77Å
18	G	32.7	Very low	38.8	Very low	49 Å²	49	121.9 Å²	121.9	51%	0.505	58%	0.576	S	S	.	*			trans	-134.4	147.2	165.4	0	0	0	0	0	106.9	E20	G18-E20 PolarHBondContact O-N 3.34Å
19	A	39.7	Very low	39.8	Very low	109 Å²	109	116.8 Å²	116.8	90%	0.901	54%	0.543	S	S	*	.	S	Bend	trans	-79.3	-1.5	-176.5	0	0	0	0	0	113.6
20	E	37.9	Very low	40.8	Very low	194 Å²	194	118.2 Å²	118.2	91%	0.907	54%	0.542	S	S	*	.	S	Bend	trans	-127.6	-4.7	-158.7	-61.1	171.1	158	0	0	114.3	G18	G18-E20 PolarHBondContact O-N 3.34Å
21	D	38.8	Very low	41.8	Very low	40 Å²	40	124.4 Å²	124.4	21%	0.214	56%	0.564	C	S	.	*			trans	-136.3	112.5	179.2	-164.2	-19.5	0	0	0	112.6	Y16 R23	Y16-D21 HydrophobicContact CD1-CB 4.47Å; Y16-D21 HydrophobicContact CE1-CB 4.48Å; D21-R23 VanDerWaalsContact C-N 3.33Å; D21-R23 PolarHBondContact O-N 3.05Å; D21-R23 VanDerWaalsContact OD1-CB 3.26Å; D21-R23 WeakPolarHBondContact OD1-CB 3.41Å; D21-R23 VanDerWaalsContact OD1-CG 3.28Å; D21-R23 WeakPolarHBondContact OD1-CG 3.24Å; D21-R23 IonicContact OD1-CZ 2.88Å; D21-R23 PolarHBondContact OD1-N 2.76Å; D21-R23 IonicContact OD1-NE 2.8Å; D21-R23 PolarHBondContact OD1-NE 3.27Å; D21-R23 IonicContact OD1-NH2 2.65Å; D21-R23 IonicContact OD2-CZ 3.13Å; D21-R23 IonicContact OD2-NE 3.73Å; D21-R23 PolarHBondContact OD2-NE 2.99Å; D21-R23 VanDerWaalsContact OD2-NE 3.13Å; D21-R23 IonicContact OD2-NH2 3.73Å; D21-R23 PolarHBondContact OD2-NH2 2.93Å
22	N	36	Very low	42.8	Very low	148 Å²	148	118.8 Å²	118.8	79%	0.791	55%	0.553	S	S	*	*			trans	-81.2	-4.9	-177.5	-70.2	-26.7	0	0	0	114	H24	N22-H24 PolarHBondContact O-N 3.18Å; N22-H24 PolarHBondContact O-ND1 2.96Å
23	R	38.2	Very low	44.4	Very low	122 Å²	122	119.6 Å²	119.6	46%	0.46	57%	0.571	S	S	.	*			trans	-71.9	102.8	-168	-70.1	175.7	-73.2	-165.4	-1.5	113.6	D21 F25	D21-R23 VanDerWaalsContact C-N 3.33Å; D21-R23 PolarHBondContact O-N 3.05Å; D21-R23 VanDerWaalsContact OD1-CB 3.26Å; D21-R23 WeakPolarHBondContact OD1-CB 3.41Å; D21-R23 VanDerWaalsContact OD1-CG 3.28Å; D21-R23 WeakPolarHBondContact OD1-CG 3.24Å; D21-R23 IonicContact OD1-CZ 2.88Å; D21-R23 PolarHBondContact OD1-N 2.76Å; D21-R23 IonicContact OD1-NE 2.8Å; D21-R23 PolarHBondContact OD1-NE 3.27Å; D21-R23 IonicContact OD1-NH2 2.65Å; D21-R23 IonicContact OD2-CZ 3.13Å; D21-R23 IonicContact OD2-NE 3.73Å; D21-R23 PolarHBondContact OD2-NE 2.99Å; D21-R23 VanDerWaalsContact OD2-NE 3.13Å; D21-R23 IonicContact OD2-NH2 3.73Å; D21-R23 PolarHBondContact OD2-NH2 2.93Å; R23-F25 HydrophobicContact CB-CD2 4.43Å; R23-F25 HydrophobicContact CB-CE2 3.86Å; R23-F25 HydrophobicContact CB-CZ 4.4Å; R23-F25 VanDerWaalsContact O-CD2 3.26Å; R23-F25 WeakPolarHBondContact O-CD2 3.26Å; R23-F25 PolarHBondContact O-N 3.37Å; R23-F25 VanDerWaalsContact O-N 3.15Å
24	H	41.1	Very low	45.9	Very low	73 Å²	73	116.4 Å²	116.4	34%	0.338	57%	0.567	S	S	.	*			trans	-80.5	88.4	-178.9	-83.2	68.7	0	0	0	113.2	N22 Y26	N22-H24 PolarHBondContact O-N 3.18Å; N22-H24 PolarHBondContact O-ND1 2.96Å; H24-Y26 HydrophobicContact CB-CE2 4.39Å; H24-Y26 WeakPolarHBondContact O-CD2 3.47Å; H24-Y26 PolarHBondContact O-N 3.4Å
25	F	38.8	Very low	47.4	Very low	134 Å²	134	118.1 Å²	118.1	59%	0.588	57%	0.573	S	S	*	*			trans	-73.9	103.1	175.9	-67.8	-84.9	0	0	0	113.6	Y16 R23	Y16-F25 AromaticContact CE2-CD2 3.93Å; Y16-F25 HydrophobicContact CE2-CD2 3.93Å; Y16-F25 HydrophobicContact CE2-CE2 4.25Å; R23-F25 HydrophobicContact CB-CD2 4.43Å; R23-F25 HydrophobicContact CB-CE2 3.86Å; R23-F25 HydrophobicContact CB-CZ 4.4Å; R23-F25 VanDerWaalsContact O-CD2 3.26Å; R23-F25 WeakPolarHBondContact O-CD2 3.26Å; R23-F25 PolarHBondContact O-N 3.37Å; R23-F25 VanDerWaalsContact O-N 3.15Å
26	Y	43.5	Very low	48.7	Very low	140 Å²	140	114.6 Å²	114.6	55%	0.549	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-76.4	141.2	168.8	-67.7	-84.5	0	0	0	112.1	F12 H24 V73	F12-Y26 HydrophobicContact CD1-CD1 4.15Å; F12-Y26 HydrophobicContact CE1-CD1 4.43Å; H24-Y26 HydrophobicContact CB-CE2 4.39Å; H24-Y26 WeakPolarHBondContact O-CD2 3.47Å; H24-Y26 PolarHBondContact O-N 3.4Å; Y26-V73 HydrophobicContact CE2-CG1 4.02Å
27	R	50.4	Low	50.4	Low	163 Å²	163	115.2 Å²	115.2	62%	0.615	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-102.1	120	176.5	-74.3	-172.8	171.2	-163.5	-3.1	111.6	F12	F12-R27 WeakPolarHBondContact CE1-O 3.29Å; F12-R27 WeakPolarHBondContact CZ-O 3.44Å
28	V	58.2	Low	51.9	Low	36 Å²	36	106.9 Å²	106.9	22%	0.218	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-49.4	123.1	175.2	-168.6	0	0	0	0	111.3	K30 R36 W39 I50	V28-K30 PolarHBondContact O-N 3.32Å; V28-R36 HydrophobicContact CG1-CG 4.08Å; V28-W39 HydrophobicContact CB-CE3 4.41Å; V28-W39 HydrophobicContact CB-CH2 4.34Å; V28-W39 HydrophobicContact CB-CZ3 3.89Å; V28-W39 HydrophobicContact CG1-CE3 3.92Å; V28-W39 HydrophobicContact CG1-CZ3 3.74Å; V28-W39 HydrophobicContact CG2-CH2 3.87Å; V28-W39 HydrophobicContact CG2-CZ3 3.62Å; V28-I50 HydrophobicContact CG2-CG2 4.02Å
29	P	53	Low	53.8	Low	19 Å²	19	106.9 Å²	106.9	12%	0.123	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-70.7	118.4	-178.3	25.9	-31.4	0	0	0	111.1	R36 W39	P29-R36 WeakPolarHBondContact O-CB 3.29Å; P29-R36 WeakPolarHBondContact O-CG 3.43Å; P29-W39 VanDerWaalsContact CD-CD2 3.48Å; P29-W39 HydrophobicContact CG-CB 3.7Å; P29-W39 HydrophobicContact CG-CD2 4.21Å; P29-W39 HydrophobicContact CG-CG 3.81Å
30	K	56.5	Low	55.3	Low	187 Å²	187	102.8 Å²	102.8	81%	0.813	48%	0.483	S	S	*	.			trans	-74.3	-28.1	-172.8	-67.7	-168.7	175.5	-171.6	0	114.9	V28	V28-K30 PolarHBondContact O-N 3.32Å
31	K	54.2	Low	57	Low	170 Å²	170	99.3 Å²	99.3	74%	0.739	47%	0.467	S	S	*	.	S	Bend	trans	-154.4	153.5	179.6	-69.6	-167.2	179.1	-176.3	0	111.1
32	P	58.5	Low	58.3	Low	79 Å²	79	100.2 Å²	100.2	51%	0.513	48%	0.48	S	S	.	.	S	Bend	cis	-70.5	162.1	-11.1	30	-33.8	0	0	0	111.9	I34 L35 R36	P32-I34 VanDerWaalsContact C-N 3.26Å; P32-I34 PolarHBondContact O-N 3Å; P32-L35 HydrophobicContact CG-CB 4.08Å; P32-L35 HydrophobicContact CG-CD1 4.39Å; P32-L35 WeakPolarHBondContact O-CB 3.36Å; P32-L35 PolarHBondContact O-N 3.43Å; P32-R36 PolarHBondContact O-N 3.28Å
33	A	67.6	Low	59.7	Low	79 Å²	79	96.6 Å²	96.6	65%	0.653	46%	0.46	S	S	*	.	H	α-helix	trans	-59.7	-33.6	-174.7	0	0	0	0	0	113.4	L35 R36 K37	A33-L35 VanDerWaalsContact C-N 3.3Å; A33-L35 PolarHBondContact O-N 3.29Å; A33-R36 WeakPolarHBondContact O-CA 3.43Å; A33-R36 WeakPolarHBondContact O-CB 3.41Å; A33-R36 PolarHBondContact O-N 3.24Å; A33-R36 VanDerWaalsContact O-N 3.12Å; A33-K37 PolarHBondContact O-N 3.13Å
34	I	70.4	Confident	61.2	Low	126 Å²	126	94.1 Å²	94.1	65%	0.646	47%	0.472	S	S	*	.	H	α-helix	trans	-59.2	-40.3	173.4	-68.9	169.2	0	0	0	111.6	P32 R36 K37 K38	P32-I34 VanDerWaalsContact C-N 3.26Å; P32-I34 PolarHBondContact O-N 3Å; I34-R36 VanDerWaalsContact C-N 3.31Å; I34-K37 PolarHBondContact O-N 3.01Å; I34-K38 PolarHBondContact O-N 3.16Å
35	L	66.2	Low	62.4	Low	82 Å²	82	94.2 Å²	94.2	43%	0.429	47%	0.469	S	S	.	.	H	α-helix	trans	-71.4	-29.5	178	-127.6	165.8	0	0	0	111.4	P32 A33 W39	P32-L35 HydrophobicContact CG-CB 4.08Å; P32-L35 HydrophobicContact CG-CD1 4.39Å; P32-L35 WeakPolarHBondContact O-CB 3.36Å; P32-L35 PolarHBondContact O-N 3.43Å; A33-L35 VanDerWaalsContact C-N 3.3Å; A33-L35 PolarHBondContact O-N 3.29Å; L35-W39 WeakPolarHBondContact O-CB 3.43Å; L35-W39 PolarHBondContact O-N 3.45Å; L35-W39 VanDerWaalsContact O-N 3.08Å
36	R	67.9	Low	64.1	Low	70 Å²	70	91.1 Å²	91.1	26%	0.264	46%	0.462	S	S	.	.	H	α-helix	trans	-68.3	-47.5	170.3	-161.3	176.2	-165.8	-154.6	-1.5	111.6	V28 P29 P32 A33 I34 W39 L40 E47	V28-R36 HydrophobicContact CG1-CG 4.08Å; P29-R36 WeakPolarHBondContact O-CB 3.29Å; P29-R36 WeakPolarHBondContact O-CG 3.43Å; P32-R36 PolarHBondContact O-N 3.28Å; A33-R36 WeakPolarHBondContact O-CA 3.43Å; A33-R36 WeakPolarHBondContact O-CB 3.41Å; A33-R36 PolarHBondContact O-N 3.24Å; A33-R36 VanDerWaalsContact O-N 3.12Å; I34-R36 VanDerWaalsContact C-N 3.31Å; R36-W39 PolarHBondContact O-N 2.92Å; R36-L40 HydrophobicContact CG-CD1 4.36Å; R36-L40 WeakPolarHBondContact O-CB 3.5Å; R36-L40 VanDerWaalsContact O-CG 3.29Å; R36-L40 WeakPolarHBondContact O-CG 3.43Å; R36-L40 PolarHBondContact O-N 2.7Å; R36-E47 IonicContact CZ-OE1 2.61Å; R36-E47 IonicContact CZ-OE2 3.64Å; R36-E47 IonicContact NE-OE2 2.7Å; R36-E47 IonicContact NH1-OE1 2.84Å; R36-E47 PolarHBondContact NH1-OE1 3.3Å; R36-E47 IonicContact NH1-OE2 2.66Å; R36-E47 PolarHBondContact NH1-OE2 3.48Å; R36-E47 IonicContact NH2-OE1 3.63Å; R36-E47 PolarHBondContact NH2-OE1 2.99Å; R36-E47 IonicContact NH2-OE2 3.61Å; R36-E47 PolarHBondContact NH2-OE2 2.97Å
37	K	70.1	Confident	65.2	Low	140 Å²	140	88.3 Å²	88.3	61%	0.609	45%	0.453	S	S	*	.	H	α-helix	trans	-59.3	-54.5	176.4	-169.9	-174.7	176.2	-169.8	0	111	A33 I34 W39 L40 E41	A33-K37 PolarHBondContact O-N 3.13Å; I34-K37 PolarHBondContact O-N 3.01Å; K37-W39 PolarHBondContact O-N 2.83Å; K37-L40 WeakPolarHBondContact O-CB 3.48Å; K37-L40 PolarHBondContact O-N 2.79Å; K37-L40 VanDerWaalsContact O-N 3.16Å; K37-E41 WeakPolarHBondContact O-CB 3.48Å; K37-E41 PolarHBondContact O-N 3.26Å
38	K	71.2	Confident	65.8	Low	84 Å²	84	87.1 Å²	87.1	37%	0.365	46%	0.455	S	S	.	.	H	α-helix	trans	-60.3	-30.6	178.7	-72.9	-155.3	178.4	-169.3	0	113.5	I34 A42 V84 E85	I34-K38 PolarHBondContact O-N 3.16Å; K38-A42 VanDerWaalsContact O-CB 3.22Å; K38-A42 WeakPolarHBondContact O-CB 3.38Å; K38-A42 PolarHBondContact O-N 3.42Å; K38-V84 HydrophobicContact CD-CG1 3.4Å; K38-E85 PolarHBondContact NZ-O 3.27Å
39	W	71.7	Confident	66	Low	49 Å²	49	88 Å²	88	19%	0.186	46%	0.461	C	S	.	.	H	α-helix	trans	-75.3	-38.7	175.9	-176.9	82	0	0	0	112.8	V28 P29 L35 R36 K37 I43 I50	V28-W39 HydrophobicContact CB-CE3 4.41Å; V28-W39 HydrophobicContact CB-CH2 4.34Å; V28-W39 HydrophobicContact CB-CZ3 3.89Å; V28-W39 HydrophobicContact CG1-CE3 3.92Å; V28-W39 HydrophobicContact CG1-CZ3 3.74Å; V28-W39 HydrophobicContact CG2-CH2 3.87Å; V28-W39 HydrophobicContact CG2-CZ3 3.62Å; P29-W39 VanDerWaalsContact CD-CD2 3.48Å; P29-W39 HydrophobicContact CG-CB 3.7Å; P29-W39 HydrophobicContact CG-CD2 4.21Å; P29-W39 HydrophobicContact CG-CG 3.81Å; L35-W39 WeakPolarHBondContact O-CB 3.43Å; L35-W39 PolarHBondContact O-N 3.45Å; L35-W39 VanDerWaalsContact O-N 3.08Å; R36-W39 PolarHBondContact O-N 2.92Å; K37-W39 PolarHBondContact O-N 2.83Å; W39-I43 HydrophobicContact CD2-CD1 4.17Å; W39-I43 HydrophobicContact CE3-CD1 3.75Å; W39-I43 HydrophobicContact CH2-CD1 3.4Å; W39-I43 HydrophobicContact CZ2-CD1 3.82Å; W39-I43 HydrophobicContact CZ3-CD1 3.35Å; W39-I43 WeakPolarHBondContact O-CG1 3.47Å; W39-I43 PolarHBondContact O-N 2.81Å; W39-I50 HydrophobicContact CH2-CD1 4.25Å; W39-I50 HydrophobicContact CZ3-CD1 3.77Å
40	L	71.7	Confident	66.4	Low	24 Å²	24	88 Å²	88	13%	0.126	46%	0.46	C	S	.	.	H	α-helix	trans	-63.7	-42.6	172.5	-73.2	173	0	0	0	111.7	R36 K37 I43 G44 R45 E47 I50	R36-L40 HydrophobicContact CG-CD1 4.36Å; R36-L40 WeakPolarHBondContact O-CB 3.5Å; R36-L40 VanDerWaalsContact O-CG 3.29Å; R36-L40 WeakPolarHBondContact O-CG 3.43Å; R36-L40 PolarHBondContact O-N 2.7Å; K37-L40 WeakPolarHBondContact O-CB 3.48Å; K37-L40 PolarHBondContact O-N 2.79Å; K37-L40 VanDerWaalsContact O-N 3.16Å; L40-I43 WeakPolarHBondContact O-CG1 3.14Å; L40-I43 PolarHBondContact O-N 3.27Å; L40-G44 PolarHBondContact O-N 3.14Å; L40-G44 VanDerWaalsContact O-N 3.16Å; L40-R45 CarbonylContact C-O 3.55Å; L40-R45 WeakPolarHBondContact CB-O 3.35Å; L40-R45 PolarHBondContact O-N 3.39Å; L40-R45 VanDerWaalsContact O-N 3.09Å; L40-E47 HydrophobicContact CD1-CB 4.31Å; L40-I50 HydrophobicContact CD2-CD1 3.43Å; L40-I50 VanDerWaalsContact CD2-CD1 3.43Å
41	E	72.7	Confident	66.2	Low	121 Å²	121	81.8 Å²	81.8	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-60.8	-48.2	175	-170.9	166.6	-122.8	0	0	111.3	K37 I43 G44	K37-E41 WeakPolarHBondContact O-CB 3.48Å; K37-E41 PolarHBondContact O-N 3.26Å; E41-I43 PolarHBondContact O-N 2.98Å; E41-G44 PolarHBondContact O-N 3.42Å; E41-G44 VanDerWaalsContact O-N 3.15Å
42	A	66.5	Low	65.9	Low	59 Å²	59	76.5 Å²	76.5	49%	0.488	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-10.9	179	0	0	0	0	0	115.5	K38	K38-A42 VanDerWaalsContact O-CB 3.22Å; K38-A42 WeakPolarHBondContact O-CB 3.38Å; K38-A42 PolarHBondContact O-N 3.42Å
43	I	64.4	Low	65.4	Low	71 Å²	71	76.1 Å²	76.1	36%	0.364	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	7.3	173.7	68.6	-175.9	0	0	0	112.8	W39 L40 E41 R45 I50	W39-I43 HydrophobicContact CD2-CD1 4.17Å; W39-I43 HydrophobicContact CE3-CD1 3.75Å; W39-I43 HydrophobicContact CH2-CD1 3.4Å; W39-I43 HydrophobicContact CZ2-CD1 3.82Å; W39-I43 HydrophobicContact CZ3-CD1 3.35Å; W39-I43 WeakPolarHBondContact O-CG1 3.47Å; W39-I43 PolarHBondContact O-N 2.81Å; L40-I43 WeakPolarHBondContact O-CG1 3.14Å; L40-I43 PolarHBondContact O-N 3.27Å; E41-I43 PolarHBondContact O-N 2.98Å; I43-R45 VanDerWaalsContact C-N 3.33Å; I43-R45 HydrophobicContact CG1-CB 4.28Å; I43-R45 PolarHBondContact O-N 3.42Å; I43-I50 HydrophobicContact CD1-CD1 3.58Å
44	G	70.7	Confident	64.4	Low	70 Å²	70	77.1 Å²	77.1	72%	0.722	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	31	178	0	0	0	0	0	115.3	L40 E41	L40-G44 PolarHBondContact O-N 3.14Å; L40-G44 VanDerWaalsContact O-N 3.16Å; E41-G44 PolarHBondContact O-N 3.42Å; E41-G44 VanDerWaalsContact O-N 3.15Å
45	R	65.8	Low	62.8	Low	75 Å²	75	79.8 Å²	79.8	28%	0.283	41%	0.408	S	S	.	.			trans	-134.1	150.5	-176.9	-68.6	-171.9	-175.3	178.5	5.8	114.1	L40 I43 I50 Q53 V71	L40-R45 CarbonylContact C-O 3.55Å; L40-R45 WeakPolarHBondContact CB-O 3.35Å; L40-R45 PolarHBondContact O-N 3.39Å; L40-R45 VanDerWaalsContact O-N 3.09Å; I43-R45 VanDerWaalsContact C-N 3.33Å; I43-R45 HydrophobicContact CG1-CB 4.28Å; I43-R45 PolarHBondContact O-N 3.42Å; R45-I50 HydrophobicContact CB-CD1 4.05Å; R45-I50 HydrophobicContact CB-CG1 3.96Å; R45-Q53 VanDerWaalsContact NH1-NE2 3.17Å; R45-V71 VanDerWaalsContact NH1-CG2 3.3Å
46	T	74.3	Confident	61.4	Low	69 Å²	69	80.5 Å²	80.5	42%	0.423	42%	0.416	S	S	.	.			trans	-83.7	169.5	175.2	74.6	0	0	0	0	112	E48 T49 I50	T46-E48 VanDerWaalsContact C-N 3.35Å; T46-E48 WeakPolarHBondContact CB-OE2 3.49Å; T46-E48 PolarHBondContact OG1-N 2.67Å; T46-E48 PolarHBondContact OG1-OE2 3.25Å; T46-T49 PolarHBondContact N-OG1 3.26Å; T46-T49 PolarHBondContact O-OG1 2.99Å; T46-T49 VanDerWaalsContact O-OG1 3.12Å; T46-T49 PolarHBondContact OG1-N 2.98Å; T46-T49 VanDerWaalsContact OG1-N 3.12Å; T46-T49 PolarHBondContact OG1-OG1 3.18Å; T46-I50 WeakPolarHBondContact O-CG1 3.44Å; T46-I50 PolarHBondContact O-N 3.34Å
47	E	68.1	Low	59.7	Low	81 Å²	81	80.9 Å²	80.9	38%	0.379	43%	0.429	S	S	.	.	H	α-helix	trans	-66.9	-36.4	172.7	-171.8	161.6	163.5	0	0	111.7	R36 L40 V51	R36-E47 IonicContact CZ-OE1 2.61Å; R36-E47 IonicContact CZ-OE2 3.64Å; R36-E47 IonicContact NE-OE2 2.7Å; R36-E47 IonicContact NH1-OE1 2.84Å; R36-E47 PolarHBondContact NH1-OE1 3.3Å; R36-E47 IonicContact NH1-OE2 2.66Å; R36-E47 PolarHBondContact NH1-OE2 3.48Å; R36-E47 IonicContact NH2-OE1 3.63Å; R36-E47 PolarHBondContact NH2-OE1 2.99Å; R36-E47 IonicContact NH2-OE2 3.61Å; R36-E47 PolarHBondContact NH2-OE2 2.97Å; L40-E47 HydrophobicContact CD1-CB 4.31Å; E47-V51 HydrophobicContact CG-CG2 4.37Å; E47-V51 WeakPolarHBondContact O-CB 3.48Å; E47-V51 VanDerWaalsContact O-CG2 3.23Å; E47-V51 WeakPolarHBondContact O-CG2 3.45Å; E47-V51 PolarHBondContact O-N 3.49Å
48	E	61.6	Low	58	Low	138 Å²	138	78.9 Å²	78.9	65%	0.645	43%	0.432	S	S	*	.	H	α-helix	trans	-66	-43.4	176.8	-56.9	89.2	178.2	0	0	112.7	T46 I50 V51 S52	T46-E48 VanDerWaalsContact C-N 3.35Å; T46-E48 WeakPolarHBondContact CB-OE2 3.49Å; T46-E48 PolarHBondContact OG1-N 2.67Å; T46-E48 PolarHBondContact OG1-OE2 3.25Å; E48-I50 VanDerWaalsContact C-N 3.28Å; E48-I50 PolarHBondContact O-N 2.91Å; E48-V51 PolarHBondContact O-N 3.46Å; E48-S52 WeakPolarHBondContact O-CB 3.45Å; E48-S52 PolarHBondContact O-N 3.25Å; E48-S52 PolarHBondContact O-OG 3.24Å
49	T	63.5	Low	56	Low	55 Å²	55	77.7 Å²	77.7	34%	0.337	44%	0.444	S	S	.	.	H	α-helix	trans	-65.7	-30.3	-177.8	42	0	0	0	0	112.8	T46 S52 Q53	T46-T49 PolarHBondContact N-OG1 3.26Å; T46-T49 PolarHBondContact O-OG1 2.99Å; T46-T49 VanDerWaalsContact O-OG1 3.12Å; T46-T49 PolarHBondContact OG1-N 2.98Å; T46-T49 VanDerWaalsContact OG1-N 3.12Å; T46-T49 PolarHBondContact OG1-OG1 3.18Å; T49-S52 PolarHBondContact O-OG 3.37Å; T49-S52 VanDerWaalsContact O-OG 3.04Å; T49-Q53 WeakPolarHBondContact O-CB 3.41Å; T49-Q53 VanDerWaalsContact O-CD 3.23Å; T49-Q53 WeakPolarHBondContact O-CG 3.46Å; T49-Q53 PolarHBondContact O-N 2.95Å; T49-Q53 PolarHBondContact O-OE1 3.21Å
50	I	61.2	Low	54.1	Low	20 Å²	20	82 Å²	82	10%	0.103	47%	0.465	C	S	.	.	H	α-helix	trans	-80.3	-36.8	173.4	-60.6	176.8	0	0	0	111.1	V28 W39 L40 I43 R45 T46 E48 L54	V28-I50 HydrophobicContact CG2-CG2 4.02Å; W39-I50 HydrophobicContact CH2-CD1 4.25Å; W39-I50 HydrophobicContact CZ3-CD1 3.77Å; L40-I50 HydrophobicContact CD2-CD1 3.43Å; L40-I50 VanDerWaalsContact CD2-CD1 3.43Å; I43-I50 HydrophobicContact CD1-CD1 3.58Å; R45-I50 HydrophobicContact CB-CD1 4.05Å; R45-I50 HydrophobicContact CB-CG1 3.96Å; T46-I50 WeakPolarHBondContact O-CG1 3.44Å; T46-I50 PolarHBondContact O-N 3.34Å; E48-I50 VanDerWaalsContact C-N 3.28Å; E48-I50 PolarHBondContact O-N 2.91Å; I50-L54 HydrophobicContact CG2-CD1 3.88Å; I50-L54 HydrophobicContact CG2-CG 4.32Å; I50-L54 WeakPolarHBondContact O-CB 3.38Å; I50-L54 VanDerWaalsContact O-CG 3.25Å; I50-L54 WeakPolarHBondContact O-CG 3.44Å; I50-L54 PolarHBondContact O-N 2.82Å
51	V	52	Low	52.3	Low	56 Å²	56	87 Å²	87	34%	0.339	49%	0.487	S	S	.	.	H	α-helix	trans	-70.1	-33.5	177.2	169.3	0	0	0	0	112	E47 E48 R55	E47-V51 HydrophobicContact CG-CG2 4.37Å; E47-V51 WeakPolarHBondContact O-CB 3.48Å; E47-V51 VanDerWaalsContact O-CG2 3.23Å; E47-V51 WeakPolarHBondContact O-CG2 3.45Å; E47-V51 PolarHBondContact O-N 3.49Å; E48-V51 PolarHBondContact O-N 3.46Å; V51-R55 VanDerWaalsContact O-CG 3.29Å; V51-R55 WeakPolarHBondContact O-CG 3.07Å; V51-R55 PolarHBondContact O-N 3.17Å; V51-R55 VanDerWaalsContact O-N 3.1Å
52	S	47.1	Very low	50.2	Low	59 Å²	59	93 Å²	93	41%	0.413	51%	0.506	S	S	.	.	H	α-helix	trans	-67.3	-48.8	172.9	64.2	0	0	0	0	111.2	E48 T49 L54 R55 V56	E48-S52 WeakPolarHBondContact O-CB 3.45Å; E48-S52 PolarHBondContact O-N 3.25Å; E48-S52 PolarHBondContact O-OG 3.24Å; T49-S52 PolarHBondContact O-OG 3.37Å; T49-S52 VanDerWaalsContact O-OG 3.04Å; S52-L54 PolarHBondContact O-N 3.23Å; S52-R55 WeakPolarHBondContact O-CB 3.46Å; S52-R55 PolarHBondContact O-N 3.21Å; S52-R55 VanDerWaalsContact O-N 3.13Å; S52-V56 WeakPolarHBondContact O-CG2 3.32Å; S52-V56 PolarHBondContact O-N 3.41Å
53	Q	48.6	Very low	48.8	Very low	71 Å²	71	94.3 Å²	94.3	33%	0.332	53%	0.526	S	S	.	.	H	α-helix	trans	-58.1	-46.5	176	-73.6	168.7	-8.9	0	0	111.9	R45 T49 R55 V56 C57	R45-Q53 VanDerWaalsContact NH1-NE2 3.17Å; T49-Q53 WeakPolarHBondContact O-CB 3.41Å; T49-Q53 VanDerWaalsContact O-CD 3.23Å; T49-Q53 WeakPolarHBondContact O-CG 3.46Å; T49-Q53 PolarHBondContact O-N 2.95Å; T49-Q53 PolarHBondContact O-OE1 3.21Å; Q53-R55 VanDerWaalsContact C-N 3.3Å; Q53-R55 PolarHBondContact O-N 3.04Å; Q53-V56 PolarHBondContact O-N 3.17Å; Q53-C57 PolarHBondContact O-N 3.44Å; Q53-C57 PolarHBondContact O-SG 3.44Å
54	L	46.2	Very low	47.1	Very low	100 Å²	100	93.1 Å²	93.1	52%	0.524	53%	0.531	S	S	.	.	H	α-helix	trans	-63.4	-31.8	176.7	-74	171.7	0	0	0	113.4	I50 S52 S58	I50-L54 HydrophobicContact CG2-CD1 3.88Å; I50-L54 HydrophobicContact CG2-CG 4.32Å; I50-L54 WeakPolarHBondContact O-CB 3.38Å; I50-L54 VanDerWaalsContact O-CG 3.25Å; I50-L54 WeakPolarHBondContact O-CG 3.44Å; I50-L54 PolarHBondContact O-N 2.82Å; S52-L54 PolarHBondContact O-N 3.23Å; L54-S58 PolarHBondContact O-N 3.29Å; L54-S58 PolarHBondContact O-OG 3.11Å
55	R	37	Very low	45.3	Very low	181 Å²	181	98.5 Å²	98.5	68%	0.683	54%	0.537	S	S	*	.	H	α-helix	trans	-68	-46.6	172.9	-77.8	172.1	177.2	178.7	0.3	111.4	V51 S52 Q53 C57 S58 G59	V51-R55 VanDerWaalsContact O-CG 3.29Å; V51-R55 WeakPolarHBondContact O-CG 3.07Å; V51-R55 PolarHBondContact O-N 3.17Å; V51-R55 VanDerWaalsContact O-N 3.1Å; S52-R55 WeakPolarHBondContact O-CB 3.46Å; S52-R55 PolarHBondContact O-N 3.21Å; S52-R55 VanDerWaalsContact O-N 3.13Å; Q53-R55 VanDerWaalsContact C-N 3.3Å; Q53-R55 PolarHBondContact O-N 3.04Å; R55-C57 PolarHBondContact O-N 2.92Å; R55-S58 PolarHBondContact O-N 3Å; R55-S58 VanDerWaalsContact O-N 3.1Å; R55-S58 PolarHBondContact O-OG 3.19Å; R55-G59 PolarHBondContact O-N 3.43Å
56	V	36.7	Very low	43.8	Very low	97 Å²	97	100.5 Å²	100.5	59%	0.588	55%	0.548	S	S	*	.	H	α-helix	trans	-59.9	-46	177.9	174.9	0	0	0	0	111.1	S52 Q53 S58 G59 H60	S52-V56 WeakPolarHBondContact O-CG2 3.32Å; S52-V56 PolarHBondContact O-N 3.41Å; Q53-V56 PolarHBondContact O-N 3.17Å; V56-S58 PolarHBondContact O-N 3.37Å; V56-G59 PolarHBondContact O-N 3.21Å; V56-H60 PolarHBondContact O-ND1 3.02Å
57	C	33.2	Very low	41.9	Very low	79 Å²	79	105.5 Å²	105.5	53%	0.534	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.9	-14.4	176.8	-63.2	0	0	0	0	114.6	Q53 R55	Q53-C57 PolarHBondContact O-N 3.44Å; Q53-C57 PolarHBondContact O-SG 3.44Å; R55-C57 PolarHBondContact O-N 2.92Å
58	S	34.2	Very low	40	Very low	98 Å²	98	111.2 Å²	111.2	69%	0.685	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-5.3	176.3	66.6	0	0	0	0	114.4	L54 R55 V56	L54-S58 PolarHBondContact O-N 3.29Å; L54-S58 PolarHBondContact O-OG 3.11Å; R55-S58 PolarHBondContact O-N 3Å; R55-S58 VanDerWaalsContact O-N 3.1Å; R55-S58 PolarHBondContact O-OG 3.19Å; V56-S58 PolarHBondContact O-N 3.37Å
59	G	29.8	Very low	38.6	Very low	58 Å²	58	108 Å²	108	60%	0.598	60%	0.596	S	S	*	*	S	Bend	trans	-104.8	-3.1	-174.8	0	0	0	0	0	116.2	R55 V56	R55-G59 PolarHBondContact O-N 3.43Å; V56-G59 PolarHBondContact O-N 3.21Å
60	H	31	Very low	37.4	Very low	139 Å²	139	110.1 Å²	110.1	64%	0.644	61%	0.606	S	S	*	*			trans	-133.9	171.7	-172.5	-66	91.2	0	0	0	112.4	V56	V56-H60 PolarHBondContact O-ND1 3.02Å
61	F	33.7	Very low	36.3	Very low	131 Å²	131	112.3 Å²	112.3	58%	0.575	62%	0.62	S	S	*	*			trans	90.6	67.7	-179.2	-49.1	-57.9	0	0	0	117.4
62	Y	28.2	Very low	35.4	Very low	245 Å²	245	115.1 Å²	115.1	96%	0.961	64%	0.639	S	S	*	*	S	Bend		-116.6	107.4	127.8	-127.7	-95.3	0	0	0	106.9	G64	Y62-G64 PolarHBondContact O-N 2.82Å
63	G	36.8	Very low	35.3	Very low	88 Å²	88	116 Å²	116	91%	0.907	64%	0.642	S	S	*	*	S	Bend	trans	71.6	7.1	170.5	0	0	0	0	0	120
64	G	29.4	Very low	34.7	Very low	46 Å²	46	115.7 Å²	115.7	47%	0.474	65%	0.651	S	S	.	*			trans	-93.4	141.7	-177.7	0	0	0	0	0	115.3	Y62	Y62-G64 PolarHBondContact O-N 2.82Å
65	E	32.5	Very low	34.6	Very low	182 Å²	182	114.4 Å²	114.4	85%	0.85	65%	0.645	S	S	*	*			trans	-82.7	174.4	-173.3	-63.8	176.3	117.2	0	0	114.8
66	K	35.5	Very low	35.1	Very low	117 Å²	117	110.9 Å²	110.9	51%	0.509	65%	0.645	S	S	.	*			trans	-98	136	178.8	-80.5	179.3	150.8	-150.3	0	112.1	D70	K66-D70 WeakPolarHBondContact CD-OD2 2.98Å; K66-D70 VanDerWaalsContact CE-OD1 3.3Å; K66-D70 WeakPolarHBondContact CE-OD1 3.36Å; K66-D70 WeakPolarHBondContact CE-OD2 3.42Å; K66-D70 IonicContact NZ-OD1 3.42Å; K66-D70 PolarHBondContact NZ-OD1 3.07Å; K66-D70 IonicContact NZ-OD2 2.67Å; K66-D70 PolarHBondContact NZ-OD2 3.28Å
67	H	33.6	Very low	35.6	Very low	174 Å²	174	110.4 Å²	110.4	81%	0.806	65%	0.652	S	S	*	*			trans	-136.1	178	158.8	-74	-49.2	0	0	0	111.1
68	E	27.9	Very low	36.2	Very low	202 Å²	202	112.1 Å²	112.1	94%	0.944	66%	0.66	S	S	*	*	S	Bend	trans	-52.1	141.5	-156.3	-62.1	180	107.7	0	0	116.1
69	G	32.9	Very low	36.8	Very low	70 Å²	70	111.8 Å²	111.8	72%	0.722	65%	0.65	S	S	*	*			trans	124.6	1.6	-177.5	0	0	0	0	0	115.2	V71	G69-V71 PolarHBondContact O-N 3.33Å
70	D	37	Very low	37.6	Very low	99 Å²	99	117.5 Å²	117.5	53%	0.529	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-50.3	127.8	170.2	-96	-58.3	0	0	0	111.1	K66 P72	K66-D70 WeakPolarHBondContact CD-OD2 2.98Å; K66-D70 VanDerWaalsContact CE-OD1 3.3Å; K66-D70 WeakPolarHBondContact CE-OD1 3.36Å; K66-D70 WeakPolarHBondContact CE-OD2 3.42Å; K66-D70 IonicContact NZ-OD1 3.42Å; K66-D70 PolarHBondContact NZ-OD1 3.07Å; K66-D70 IonicContact NZ-OD2 2.67Å; K66-D70 PolarHBondContact NZ-OD2 3.28Å; D70-P72 WeakPolarHBondContact O-CD 3.43Å
71	V	38.7	Very low	38.3	Very low	67 Å²	67	116.8 Å²	116.8	41%	0.406	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-77.1	123.5	-171.3	174.5	0	0	0	0	110.3	R45 G69 V73	R45-V71 VanDerWaalsContact NH1-CG2 3.3Å; G69-V71 PolarHBondContact O-N 3.33Å; V71-V73 PolarHBondContact O-N 3.14Å; V71-V73 VanDerWaalsContact O-N 3.1Å
72	P	34.1	Very low	39	Very low	115 Å²	115	116.6 Å²	116.6	75%	0.747	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-62.8	116.2	167	26.5	-32.7	0	0	0	108.4	D70	D70-P72 WeakPolarHBondContact O-CD 3.43Å
73	V	44.2	Very low	39.6	Very low	78 Å²	78	116.1 Å²	116.1	47%	0.473	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-93.1	123.2	170.4	177.9	0	0	0	0	106.2	Y26 V71 D75	Y26-V73 HydrophobicContact CE2-CG1 4.02Å; V71-V73 PolarHBondContact O-N 3.14Å; V71-V73 VanDerWaalsContact O-N 3.1Å; V73-D75 PolarHBondContact O-N 2.98Å
74	A	36.5	Very low	39.8	Very low	63 Å²	63	114 Å²	114	52%	0.521	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-50.7	125.1	177.1	0	0	0	0	0	110.6	P76 D79	A74-P76 WeakPolarHBondContact O-CD 3.49Å; A74-D79 WeakPolarHBondContact CA-OD2 3.37Å; A74-D79 HydrophobicContact CB-CB 4.17Å; A74-D79 VanDerWaalsContact CB-OD2 3.31Å; A74-D79 WeakPolarHBondContact CB-OD2 3.46Å
75	D	44.6	Very low	40.2	Very low	74 Å²	74	119.8 Å²	119.8	40%	0.396	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-87.9	118.7	-175.5	-172.7	-17.2	0	0	0	108.6	V73 A77 V78 D79	V73-D75 PolarHBondContact O-N 2.98Å; D75-A77 PolarHBondContact O-N 2.59Å; D75-A77 WeakPolarHBondContact OD1-CB 3.42Å; D75-A77 PolarHBondContact OD1-N 3.03Å; D75-V78 HydrophobicContact CB-CB 4.2Å; D75-V78 HydrophobicContact CB-CG2 4.07Å; D75-V78 PolarHBondContact O-N 3.3Å; D75-D79 PolarHBondContact N-OD2 3.43Å; D75-D79 PolarHBondContact O-N 2.85Å
76	P	47.6	Very low	40.6	Very low	106 Å²	106	116.9 Å²	116.9	69%	0.688	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	1.4	176.4	29.9	-37.4	0	0	0	114.6	M1 A74	M1-P76 HydrophobicContact CE-CG 4.29Å; A74-P76 WeakPolarHBondContact O-CD 3.49Å
77	A	47	Very low	40.9	Very low	87 Å²	87	116.3 Å²	116.3	72%	0.719	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-8.6	166.2	0	0	0	0	0	114.4	D75	D75-A77 PolarHBondContact O-N 2.59Å; D75-A77 WeakPolarHBondContact OD1-CB 3.42Å; D75-A77 PolarHBondContact OD1-N 3.03Å
78	V	45.7	Very low	41.3	Very low	116 Å²	116	113.9 Å²	113.9	70%	0.703	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	-39.8	-174.7	-174.9	0	0	0	0	112.4	D75	D75-V78 HydrophobicContact CB-CB 4.2Å; D75-V78 HydrophobicContact CB-CG2 4.07Å; D75-V78 PolarHBondContact O-N 3.3Å
79	D	46.9	Very low	42	Very low	90 Å²	90	113.9 Å²	113.9	48%	0.481	65%	0.648	S	S	.	*	S	Bend	trans	-95.4	133.4	-173.5	-65.8	-64.8	0	0	0	113	A74 D75	A74-D79 WeakPolarHBondContact CA-OD2 3.37Å; A74-D79 HydrophobicContact CB-CB 4.17Å; A74-D79 VanDerWaalsContact CB-OD2 3.31Å; A74-D79 WeakPolarHBondContact CB-OD2 3.46Å; D75-D79 PolarHBondContact N-OD2 3.43Å; D75-D79 PolarHBondContact O-N 2.85Å
80	E	45.6	Very low	42.3	Very low	179 Å²	179	117.9 Å²	117.9	84%	0.836	65%	0.651	S	S	*	*			trans	-71.1	145	-176.3	-71.5	-162.1	152.5	0	0	114.5	I82	E80-I82 PolarHBondContact O-N 2.96Å
81	P	46.9	Very low	42.3	Very low	123 Å²	123	117.6 Å²	117.6	80%	0.799	66%	0.657	S	S	*	*			trans	-77.6	93.2	-175.1	31	-36.1	0	0	0	113.7	R83	P81-R83 PolarHBondContact O-N 3.31Å
82	I	47.5	Very low	42.2	Very low	128 Å²	128	126 Å²	126	66%	0.656	68%	0.681	S	S	*	*			trans	-57.5	115.8	176.7	-55.8	174.6	0	0	0	112	E80 V84	E80-I82 PolarHBondContact O-N 2.96Å; I82-V84 HydrophobicContact CG2-CG2 4.33Å
83	R	40.8	Very low	42.2	Very low	234 Å²	234	129.7 Å²	129.7	88%	0.883	69%	0.686	S	S	*	*			trans	-78.4	135.1	166.7	-81.2	-172.7	172.3	-168.2	1.5	110.8	P81	P81-R83 PolarHBondContact O-N 3.31Å
84	V	40.9	Very low	41.6	Very low	45 Å²	45	131 Å²	131	27%	0.273	70%	0.699	S	S	.	*			trans	-120.9	113.1	171.9	-175.1	0	0	0	0	109.7	F7 K38 I82	F7-V84 HydrophobicContact CE1-CB 4.31Å; F7-V84 WeakPolarHBondContact CE1-O 3.43Å; F7-V84 HydrophobicContact CZ-CB 3.86Å; F7-V84 HydrophobicContact CZ-CG2 4.32Å; K38-V84 HydrophobicContact CD-CG1 3.4Å; I82-V84 HydrophobicContact CG2-CG2 4.33Å
85	E	37.3	Very low	41.4	Very low	167 Å²	167	133.4 Å²	133.4	78%	0.78	71%	0.711	S	S	*	*			trans	-71.8	147.5	176	-61	-159.2	144.1	0	0	112.5	K38	K38-E85 PolarHBondContact NZ-O 3.27Å
86	L	40.7	Very low	41	Very low	120 Å²	120	136 Å²	136	63%	0.628	73%	0.73	S	S	*	*			trans	-108.8	141	176.9	-67.1	173.3	0	0	0	108.9
87	P	42.8	Very low	40.3	Very low	106 Å²	106	137 Å²	137	69%	0.688	73%	0.734	S	S	*	*			trans	-59.4	145.5	176.7	26.1	-34.6	0	0	0	110.8
88	P	42.7	Very low	39.7	Very low	123 Å²	123	140.7 Å²	140.7	80%	0.799	74%	0.742	S	S	*	*			trans	-59.9	142.9	-174.1	23.5	-33.8	0	0	0	111.7	I90	P88-I90 PolarHBondContact O-N 3.39Å; P88-I90 VanDerWaalsContact O-N 3.13Å
89	K	41.4	Very low	39.2	Very low	201 Å²	201	143.6 Å²	143.6	87%	0.874	75%	0.745	S	S	*	*			trans	-67.6	112.8	174.6	-69.5	174.5	-175.6	165.5	0	108.8	S91	K89-S91 PolarHBondContact O-N 3.02Å
90	I	40.5	Very low	38.5	Very low	155 Å²	155	150.9 Å²	150.9	80%	0.795	77%	0.766	S	S	*	*			trans	-48.9	126	166.7	-58.7	171.6	0	0	0	108.1	P88 R92	P88-I90 PolarHBondContact O-N 3.39Å; P88-I90 VanDerWaalsContact O-N 3.13Å; I90-R92 PolarHBondContact O-N 3.45Å
91	S	36.6	Very low	37.9	Very low	93 Å²	93	148.6 Å²	148.6	65%	0.65	76%	0.759	S	S	*	*			trans	-60.6	129.1	177.7	47.8	0	0	0	0	109.4	K89 F93	K89-S91 PolarHBondContact O-N 3.02Å; S91-F93 PolarHBondContact O-N 3.16Å
92	R	35.2	Very low	37.3	Very low	243 Å²	243	148.2 Å²	148.2	92%	0.917	76%	0.76	S	S	*	*			trans	-71.8	115.1	167.3	-66.4	-176.5	-171.1	158.3	3.7	106.5	I90 S94	I90-R92 PolarHBondContact O-N 3.45Å; R92-S94 PolarHBondContact O-N 3.19Å
93	F	34.6	Very low	36.8	Very low	192 Å²	192	153 Å²	153	84%	0.842	77%	0.771	S	S	*	*			trans	-45.6	134.7	172.3	-69.7	-91.1	0	0	0	110.4	S91 S95	S91-F93 PolarHBondContact O-N 3.16Å; F93-S95 PolarHBondContact O-N 2.91Å
94	S	32	Very low	36.4	Very low	107 Å²	107	145 Å²	145	75%	0.748	76%	0.762	S	S	*	*			trans	-59.9	126.5	173.2	-170.7	0	0	0	0	108.6	R92 T96	R92-S94 PolarHBondContact O-N 3.19Å; S94-T96 PolarHBondContact O-N 3.48Å
95	S	33.3	Very low	36.2	Very low	112 Å²	112	149.6 Å²	149.6	78%	0.783	79%	0.79	S	S	*	*			trans	-65	108.2	178.2	52	0	0	0	0	108.7	F93	F93-S95 PolarHBondContact O-N 2.91Å
96	T	35.9	Very low	36	Very low	128 Å²	128	153.4 Å²	153.4	79%	0.785	80%	0.798	S	S	*	*			trans	-60.3	142	-168.6	32.4	0	0	0	0	112.8	S94 N98	S94-T96 PolarHBondContact O-N 3.48Å; T96-N98 PolarHBondContact O-N 2.69Å; T96-N98 VanDerWaalsContact O-N 3.16Å
97	V	32.8	Very low	35.6	Very low	129 Å²	129	151.2 Å²	151.2	78%	0.782	80%	0.804	S	S	*	*			trans	-62.2	115.4	176.8	177.5	0	0	0	0	109.1	K99	V97-K99 HydrophobicContact CG1-CG 4.2Å; V97-K99 PolarHBondContact O-N 2.92Å
98	N	32.9	Very low	35.1	Very low	164 Å²	164	150.4 Å²	150.4	88%	0.877	81%	0.814	S	S	*	*			trans	-73.1	68.2	171	-104.3	-14.6	0	0	0	110.6	T96 R100	T96-N98 PolarHBondContact O-N 2.69Å; T96-N98 VanDerWaalsContact O-N 3.16Å; N98-R100 PolarHBondContact O-N 3.4Å
99	K	35.9	Very low	34.5	Very low	177 Å²	177	148.7 Å²	148.7	77%	0.77	82%	0.819	S	S	*	*			trans	-61.8	114.2	164.6	-101.8	-175.8	173.8	-179.2	0	107.6	V97 N101	V97-K99 HydrophobicContact CG1-CG 4.2Å; V97-K99 PolarHBondContact O-N 2.92Å; K99-N101 VanDerWaalsContact C-N 3.28Å; K99-N101 PolarHBondContact O-N 3.17Å
100	R	33	Very low	34	Very low	243 Å²	243	142.9 Å²	142.9	92%	0.917	82%	0.817	S	S	*	*			trans	-71.2	82.3	172.6	-70	-179.2	179.8	157.9	-1.8	110.3	N98	N98-R100 PolarHBondContact O-N 3.4Å
101	N	33	Very low	33.7	Very low	130 Å²	130	142.7 Å²	142.7	70%	0.695	82%	0.823	S	S	*	*			trans	-105.8	122.1	158.8	-87.4	15.9	0	0	0	108.4	K99	K99-N101 VanDerWaalsContact C-N 3.28Å; K99-N101 PolarHBondContact O-N 3.17Å
102	S	33.9	Very low	33.5	Very low	116 Å²	116	141.9 Å²	141.9	81%	0.811	83%	0.829	S	S	*	*			trans	-149.5	70.1	175.4	-58.3	0	0	0	0	109.2	G104	S102-G104 PolarHBondContact O-N 3.48Å
103	Y	36.5	Very low	33.2	Very low	227 Å²	227	142.4 Å²	142.4	89%	0.89	83%	0.831	S	S	*	*			trans	-59.2	126.8	154.5	-77.4	-90.4	0	0	0	107
104	G	33.1	Very low	33.1	Very low	68 Å²	68	137.1 Å²	137.1	70%	0.701	83%	0.831	S	S	*	*			trans	-82.5	172.2	-172.9	0	0	0	0	0	113.1	S102	S102-G104 PolarHBondContact O-N 3.48Å
105	T	36.3	Very low	33	Very low	141 Å²	141	144.3 Å²	144.3	87%	0.865	84%	0.841	S	S	*	*			trans	-165.4	160.9	131.2	-77.3	0	0	0	0	109.2
106	R	32.2	Very low	32.8	Very low	247 Å²	247	142.5 Å²	142.5	93%	0.932	84%	0.841	S	S	*	*			trans	-50.7	158.7	173.8	-60.5	161.4	171.1	169.6	-6.6	112.4
107	G	32.9	Very low	32.5	Very low	74 Å²	74	143.6 Å²	143.6	76%	0.763	84%	0.841	S	S	*	*			cis	154.2	167.9	-1.4	0	0	0	0	0	112.1
108	G	32.9	Very low	32.3	Very low	88 Å²	88	144.7 Å²	144.7	91%	0.907	84%	0.837	S	S	*	*			trans	77.8	152.2	-177.7	0	0	0	0	0	114.1
109	G	29.1	Very low	32.1	Very low	87 Å²	87	144 Å²	144	90%	0.897	83%	0.828	S	S	*	*			cis	136.4	104.1	-3.4	0	0	0	0	0	111.7
110	G	32.5	Very low	31.6	Very low	80 Å²	80	141.1 Å²	141.1	83%	0.825	83%	0.826	S	S	*	*			trans	178.5	122.4	-179.8	0	0	0	0	0	113.7
111	V	32.4	Very low	31.4	Very low	151 Å²	151	139.4 Å²	139.4	92%	0.915	83%	0.828	S	S	*	*			trans	-87.5	143.1	-174.6	-174.1	0	0	0	0	111.1
112	G	32.5	Very low	31	Very low	76 Å²	76	136.6 Å²	136.6	78%	0.784	83%	0.829	S	S	*	*			trans	-157.5	125.4	169.8	0	0	0	0	0	113
113	R	30.7	Very low	30.6	Very low	254 Å²	254	138.5 Å²	138.5	96%	0.958	83%	0.829	S	S	*	*			trans	-104.1	140.6	177.7	-68.8	176.8	173.4	174	-2.3	110.5
114	G	31.5	Very low	30.1	Very low	81 Å²	81	139 Å²	139	84%	0.835	83%	0.829	S	S	*	*			trans	-160.5	130.7	169.4	0	0	0	0	0	112.2
115	R	30.2	Very low	29.9	Very low	257 Å²	257	142.6 Å²	142.6	97%	0.97	83%	0.833	S	S	*	*			trans	-102.1	139.8	171.9	-64.1	176.6	177	174.3	-1.9	108.5
116	G	28.1	Very low	29.4	Very low	75 Å²	75	145.1 Å²	145.1	77%	0.773	83%	0.831	S	S	*	*			trans	-158.9	133.2	177.7	0	0	0	0	0	112.1
117	L	30.3	Very low	29	Very low	151 Å²	151	142.3 Å²	142.3	79%	0.791	83%	0.831	S	S	*	*			trans	-89.1	145.5	-166.5	-89.9	68.4	0	0	0	114.2
118	H	28.9	Very low	28.7	Very low	152 Å²	152	144.5 Å²	144.5	70%	0.704	83%	0.834	S	S	*	*			trans	83.7	156.9	133.1	-85	-134.1	0	0	0	124.1
119	H	28.5	Very low	28.3	Very low	150 Å²	150	148.9 Å²	148.9	69%	0.694	83%	0.828	S	S	*	*			trans	72.9	79.5	158.8	-70.6	-58.4	0	0	0	122.2
120	T	25.5	Very low	28.3	Very low	116 Å²	116	152 Å²	152	71%	0.712	82%	0.823	S	S	*	*				55.4	82.6	118.9	53.8	0	0	0	0	119.2
121	Q	27.6	Very low	28.2	Very low	207 Å²	207	154.8 Å²	154.8	97%	0.967	81%	0.812	S	S	*	*			trans	-161.6	141.6	148.1	-107.8	156	52.3	0	0	111.5
122	G	25	Very low	28	Very low	70 Å²	70	151.7 Å²	151.7	72%	0.722	80%	0.798	S	S	*	*			trans	130.9	172	165.6	0	0	0	0	0	118
123	I	27	Very low	27.9	Very low	157 Å²	157	150.7 Å²	150.7	81%	0.805	79%	0.787	S	S	*	*			trans	58.7	54.2	167	-33.5	-178.3	0	0	0	116.8	N125	I123-N125 PolarHBondContact O-N 2.89Å
124	R	26	Very low	27.9	Very low	236 Å²	236	142.9 Å²	142.9	89%	0.891	76%	0.763	S	S	*	*			trans	-91.5	72.1	155.8	-124.5	-177.4	-176.3	158.9	3.6	110.5
125	N	27	Very low	27.9	Very low	145 Å²	145	147 Å²	147	78%	0.775	76%	0.764	S	S	*	*			trans	-148.1	134.9	-179.8	-107.4	-31.2	0	0	0	112.5	I123	I123-N125 PolarHBondContact O-N 2.89Å
126	K	26.2	Very low	27.8	Very low	193 Å²	193	139.1 Å²	139.1	84%	0.839	74%	0.742	S	S	*	*			trans	103	73.3	178.2	-59.6	164.7	179.9	171.3	0	117.2
127	M	24.8	Very low	27.8	Very low	189 Å²	189	143.2 Å²	143.2	93%	0.931	74%	0.735	S	S	*	*			trans	-157.3	88.8	152.5	-126.4	-178.9	-176.6	0	0	112.3
128	C	25.6	Very low	27.7	Very low	120 Å²	120	142.6 Å²	142.6	81%	0.811	73%	0.73	S	S	*	*			trans	-141.2	53.4	179.8	-69.7	0	0	0	0	112.2
129	F	26.2	Very low	27.9	Very low	180 Å²	180	139.6 Å²	139.6	79%	0.789	72%	0.722	S	S	*	*			trans	-144.9	68.9	176.7	-81.8	-75.7	0	0	0	112.1
130	L	29	Very low	28	Very low	152 Å²	152	141 Å²	141	80%	0.796	73%	0.727	S	S	*	*			trans	-138.8	142.3	164.2	-76.1	177.5	0	0	0	110
131	K	28.8	Very low	28.3	Very low	138 Å²	138	141.3 Å²	141.3	60%	0.6	72%	0.719	S	S	*	*			trans	-69	145.2	-177.9	-77.7	173.7	179.6	164.7	0	111	G133	K131-G133 PolarHBondContact O-N 3.35Å
132	S	28.8	Very low	28.3	Very low	87 Å²	87	139.1 Å²	139.1	61%	0.608	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	16.6	-171	-86	0	0	0	0	117.1	R11	R11-S132 PolarHBondContact NH1-OG 3.46Å; R11-S132 PolarHBondContact NH2-OG 3.2Å
133	G	31.4	Very low	28.4	Very low	54 Å²	54	144 Å²	144	56%	0.557	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-42.3	-179.5	0	0	0	0	0	115	K131 L135	K131-G133 PolarHBondContact O-N 3.35Å; G133-L135 VanDerWaalsContact C-N 3.26Å; G133-L135 PolarHBondContact O-N 3.13Å
134	M	30.8	Very low	28.4	Very low	91 Å²	91	141.5 Å²	141.5	45%	0.448	72%	0.719	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.6	-6.4	-160.2	-64.8	162.2	70.6	0	0	116.1
135	L	29.9	Very low	28.3	Very low	166 Å²	166	138.3 Å²	138.3	87%	0.869	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	9.2	-174.7	-126.9	78.5	0	0	0	114.9	G133	G133-L135 VanDerWaalsContact C-N 3.26Å; G133-L135 PolarHBondContact O-N 3.13Å
136	N	28.7	Very low	28.3	Very low	92 Å²	92	139.2 Å²	139.2	49%	0.492	72%	0.724	S	S	.	*	S	Bend	trans	-101.8	-24	-172.9	-87.7	-5.5	0	0	0	115.9	R15	R15-N136 PolarHBondContact NH2-OD1 2.84Å
137	Y	27.8	Very low	28.4	Very low	161 Å²	161	137.7 Å²	137.7	63%	0.631	72%	0.724	S	S	*	*	S	Bend	trans	-84.7	-30.1	-171.6	-106	-105.1	0	0	0	114.9	T139 T215	Y137-T139 PolarHBondContact O-N 3.45Å; Y137-T215 HydrophobicContact CD1-CG2 3.76Å; Y137-T215 HydrophobicContact CE1-CG2 3.95Å
138	M	28.7	Very low	28.5	Very low	138 Å²	138	136 Å²	136	68%	0.68	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	32.4	-173.9	-62	-170	69.2	0	0	115.9
139	T	32.2	Very low	28.4	Very low	90 Å²	90	133.3 Å²	133.3	55%	0.552	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.9	23.4	-177.9	44.3	0	0	0	0	115.1	Y137	Y137-T139 PolarHBondContact O-N 3.45Å
140	K	31.9	Very low	28.3	Very low	180 Å²	180	129.8 Å²	129.8	78%	0.783	71%	0.708	S	S	*	*	S	Bend	trans	-125.5	-9.3	-175.6	-93.4	-161.9	167.8	-161.1	0	118.7
141	H	30.5	Very low	28.2	Very low	121 Å²	121	131.2 Å²	131.2	56%	0.56	71%	0.709	S	S	*	*			trans	-132	35.4	-167.8	-74	-88.1	0	0	0	116
142	N	28.6	Very low	28	Very low	161 Å²	161	133.7 Å²	133.7	86%	0.861	72%	0.719	S	S	*	*			trans	-112.4	96.8	169.7	-76.9	29.2	0	0	0	110.3
143	N	27.5	Very low	28	Very low	172 Å²	172	135.7 Å²	135.7	92%	0.92	73%	0.73	S	S	*	*			trans	-163.5	75.4	167.1	-113.1	1	0	0	0	111.5
144	C	25.6	Very low	27.7	Very low	105 Å²	105	142.5 Å²	142.5	71%	0.709	74%	0.744	S	S	*	*			trans	-159.4	48.3	168.4	-150	0	0	0	0	113.5
145	L	25.9	Very low	27.7	Very low	170 Å²	170	146.9 Å²	146.9	89%	0.89	76%	0.763	S	S	*	*			trans	-143.7	94.2	169.5	-85.6	179.7	0	0	0	110.2
146	N	26.8	Very low	27.5	Very low	164 Å²	164	145 Å²	145	88%	0.877	76%	0.759	S	S	*	*			trans	-165.6	85.3	164.4	-106.6	-15.5	0	0	0	109.4
147	L	26.4	Very low	27.5	Very low	160 Å²	160	149.3 Å²	149.3	84%	0.838	78%	0.781	S	S	*	*			trans	-151.2	142.4	163.2	-134.9	77.6	0	0	0	109.3
148	L	26.8	Very low	27.4	Very low	154 Å²	154	145.7 Å²	145.7	81%	0.806	78%	0.784	S	S	*	*			trans	59.8	94.8	179	-72	84.1	0	0	0	118.3
149	G	24.2	Very low	27.3	Very low	64 Å²	64	144 Å²	144	66%	0.66	79%	0.786	S	S	*	*				-74.5	157.3	115.2	0	0	0	0	0	108.8
150	S	25.2	Very low	27	Very low	105 Å²	105	147.1 Å²	147.1	73%	0.734	80%	0.8	S	S	*	*				-170.6	-173.1	54.2	-65.7	0	0	0	0	111.7
151	F	25.4	Very low	26.9	Very low	183 Å²	183	143.3 Å²	143.3	80%	0.803	80%	0.796	S	S	*	*			trans	87.3	78.2	165.1	-64.9	-78.5	0	0	0	120.5
152	K	25.8	Very low	26.7	Very low	190 Å²	190	142.5 Å²	142.5	83%	0.826	80%	0.799	S	S	*	*				46.4	124.7	121.3	-63.1	-176.3	179.4	179	0	120.7
153	P	27.8	Very low	26.7	Very low	128 Å²	128	143.5 Å²	143.5	83%	0.831	80%	0.799	S	S	*	*			trans	-100.5	169.8	173.9	40.1	-35.6	0	0	0	114.3
154	K	25.7	Very low	26.9	Very low	197 Å²	197	140 Å²	140	86%	0.857	79%	0.787	S	S	*	*			trans	-156.4	112.6	155	-124.8	174.5	-176.9	-174.5	0	114.9
155	H	29.9	Very low	27	Very low	183 Å²	183	140 Å²	140	85%	0.847	79%	0.789	S	S	*	*			trans	48.7	139.3	148.6	-74.1	-97.9	0	0	0	124.2
156	T	25.8	Very low	27.4	Very low	128 Å²	128	136.7 Å²	136.7	79%	0.785	78%	0.777	S	S	*	*			trans	-97.2	156.6	172.5	48.6	0	0	0	0	113
157	L	28.8	Very low	27.4	Very low	182 Å²	182	134.5 Å²	134.5	95%	0.953	77%	0.77	S	S	*	*			trans	-157.6	171.7	142.1	-107.6	157.1	0	0	0	109.6
158	A	25.5	Very low	27.4	Very low	85 Å²	85	133.1 Å²	133.1	70%	0.702	76%	0.763	S	S	*	*			trans	-142.9	164.3	-160.2	0	0	0	0	0	114.1
159	S	27.2	Very low	27.4	Very low	102 Å²	102	135.8 Å²	135.8	71%	0.713	76%	0.762	S	S	*	*			trans	162.3	148.5	132.6	50.1	0	0	0	0	113.8
160	N	26.7	Very low	27.5	Very low	156 Å²	156	138.4 Å²	138.4	83%	0.834	76%	0.761	S	S	*	*			trans	44.6	150.4	142.3	-54.1	-6.6	0	0	0	121.5
161	S	28	Very low	27.6	Very low	100 Å²	100	138.8 Å²	138.8	70%	0.699	76%	0.755	S	S	*	*			cis	-168.1	-161.1	-17.7	50.1	0	0	0	0	106.8
162	T	27.6	Very low	27.8	Very low	104 Å²	104	136.3 Å²	136.3	64%	0.638	75%	0.746	S	S	*	*			cis	-165.8	163.5	9.5	-18	0	0	0	0	109.3
163	Q	29.2	Very low	27.9	Very low	181 Å²	181	134.3 Å²	134.3	85%	0.846	74%	0.737	S	S	*	*			trans	65.8	154.6	161	-64.1	160.2	9.2	0	0	116.8
164	S	30.1	Very low	27.8	Very low	98 Å²	98	134.5 Å²	134.5	69%	0.685	73%	0.73	S	S	*	*			cis	-161.4	126.8	-12.3	39.6	0	0	0	0	106.9
165	S	28.1	Very low	27.9	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	73%	0.731	S	S	*	*				72.9	154.6	61.2	77.7	0	0	0	0	114.5
166	P	34.7	Very low	27.7	Very low	100 Å²	100	131.1 Å²	131.1	65%	0.649	72%	0.716	S	S	*	*			cis	-142.7	-155.3	-35.6	35.2	-13	0	0	0	113.8
167	T	26.6	Very low	27.8	Very low	119 Å²	119	132 Å²	132	73%	0.73	72%	0.716	S	S	*	*			trans	73.6	153.6	150	43	0	0	0	0	120.1
168	L	27	Very low	27.8	Very low	130 Å²	130	132.7 Å²	132.7	68%	0.681	71%	0.711	S	S	*	*			cis	-150.1	129.8	-1.8	-104.6	150.8	0	0	0	108.4
169	R	25.4	Very low	28	Very low	211 Å²	211	134 Å²	134	80%	0.796	71%	0.713	S	S	*	*				72.8	140.6	103	-97	-166	-167.3	158.6	-0.5	120.4
170	N	27.6	Very low	28.1	Very low	119 Å²	119	137.6 Å²	137.6	64%	0.636	72%	0.722	S	S	*	*			trans	97.9	98.4	135.5	-79.2	24.3	0	0	0	123.2
171	D	26.9	Very low	28.2	Very low	113 Å²	113	137.7 Å²	137.7	60%	0.604	72%	0.717	S	S	*	*				103.7	137.9	103.2	-92.9	-44.2	0	0	0	123.3
172	H	29.7	Very low	28.4	Very low	131 Å²	131	140.1 Å²	140.1	61%	0.606	72%	0.721	S	S	*	*			trans	74.3	146.9	147	-71.9	29.8	0	0	0	120
173	K	27.8	Very low	28.5	Very low	148 Å²	148	141.5 Å²	141.5	64%	0.643	73%	0.725	S	S	*	*			cis	-173	144.6	-29.4	-118.3	175.6	-171.6	160.7	0	110.5
174	I	26.2	Very low	28.4	Very low	132 Å²	132	136.6 Å²	136.6	68%	0.677	72%	0.715	S	S	*	*			trans	73	128.3	140.3	-72.7	170.7	0	0	0	121.6
175	R	26.4	Very low	28.4	Very low	233 Å²	233	138.8 Å²	138.8	88%	0.879	73%	0.725	S	S	*	*			trans	69.3	155	154.3	-81.9	170.7	172.7	178.1	-3.2	120.3
176	S	26.7	Very low	28.2	Very low	76 Å²	76	141.2 Å²	141.2	53%	0.531	73%	0.729	S	S	.	*			cis	179.3	156.4	-31.4	52.1	0	0	0	0	111.9
177	N	27.7	Very low	27.9	Very low	146 Å²	146	144.6 Å²	144.6	78%	0.781	74%	0.74	S	S	*	*			trans	73.8	151.6	163.6	-52.9	-28.5	0	0	0	115
178	K	29.5	Very low	28	Very low	196 Å²	196	145.9 Å²	145.9	85%	0.852	74%	0.741	S	S	*	*			cis	-147.3	153.9	12.7	-143.4	164.6	-177	-174.7	0	110.3
179	P	28.8	Very low	27.9	Very low	114 Å²	114	146.6 Å²	146.6	74%	0.74	75%	0.745	S	S	*	*			trans	-98.5	167.3	-174.8	38.4	-35.7	0	0	0	114.4
180	I	30.1	Very low	28	Very low	177 Å²	177	144.9 Å²	144.9	91%	0.908	75%	0.746	S	S	*	*			trans	-129.7	153.9	163.4	-63.9	-177.6	0	0	0	108.6
181	H	27.2	Very low	28	Very low	158 Å²	158	144.6 Å²	144.6	73%	0.731	74%	0.744	S	S	*	*			trans	-144.1	143.2	-156.2	-172.7	-78.5	0	0	0	110.6
182	L	32.1	Very low	28.1	Very low	151 Å²	151	145.5 Å²	145.5	79%	0.791	75%	0.75	S	S	*	*			trans	-157.1	109.5	166.4	-106	169.1	0	0	0	112.5
183	N	30.6	Very low	28	Very low	132 Å²	132	146.7 Å²	146.7	71%	0.706	76%	0.76	S	S	*	*			trans	39.5	112.6	147.1	-54	-0.9	0	0	0	119.5
184	A	27	Very low	28.4	Very low	78 Å²	78	143.3 Å²	143.3	65%	0.645	76%	0.755	S	S	*	*			cis	88.3	110.5	19.7	0	0	0	0	0	118
185	T	29.7	Very low	29	Very low	145 Å²	145	143.9 Å²	143.9	89%	0.89	76%	0.76	S	S	*	*			trans	-142.7	123.1	138.7	40.9	0	0	0	0	109
186	N	25.1	Very low	29.6	Very low	156 Å²	156	136.8 Å²	136.8	83%	0.834	74%	0.739	S	S	*	*			trans	-91.3	133.9	-178.8	-74.4	-43.1	0	0	0	111.5
187	I	28.6	Very low	30	Very low	171 Å²	171	134.5 Å²	134.5	88%	0.877	72%	0.722	S	S	*	*			trans	-126.3	94.8	152.8	-58.7	-175.8	0	0	0	109.1
188	I	27.7	Very low	30.5	Very low	147 Å²	147	132.6 Å²	132.6	75%	0.754	71%	0.712	S	S	*	*			trans	1.8	125.4	157.7	-58.2	170.6	0	0	0	116.7
189	N	25.7	Very low	31.1	Very low	144 Å²	144	126.5 Å²	126.5	77%	0.77	69%	0.691	S	S	*	*			trans	-53.1	134.6	171	-69	-27.5	0	0	0	113.3
190	H	27.9	Very low	31.7	Very low	175 Å²	175	123 Å²	123	81%	0.81	66%	0.663	S	S	*	*			trans	-133.5	105.5	154.4	-106.4	-68.9	0	0	0	109.9
191	N	26.3	Very low	32.1	Very low	113 Å²	113	115.9 Å²	115.9	60%	0.604	63%	0.626	S	S	*	*			trans	-63.6	139.5	174.5	-62.7	-3.4	0	0	0	110.3
192	N	28.9	Very low	32.7	Very low	133 Å²	133	113.1 Å²	113.1	71%	0.711	62%	0.616	S	S	*	*			trans	-145.3	137.5	164.7	-83.9	-65.6	0	0	0	109.3	S194	N192-S194 VanDerWaalsContact C-N 3.31Å; N192-S194 PolarHBondContact O-N 3.38Å
193	D	28.7	Very low	33.1	Very low	155 Å²	155	111 Å²	111	83%	0.829	61%	0.606	S	S	*	*	S	Bend	trans	-81.4	59.6	-167.7	-59.7	-71	0	0	0	114.3
194	S	36.3	Very low	33.5	Very low	77 Å²	77	106 Å²	106	54%	0.538	58%	0.579	S	S	.	*			trans	-98.2	-14.3	-176.9	50.2	0	0	0	0	116.1	N192 N196 T199	N192-S194 VanDerWaalsContact C-N 3.31Å; N192-S194 PolarHBondContact O-N 3.38Å; S194-N196 PolarHBondContact O-N 3.16Å; S194-T199 PolarHBondContact O-OG1 3.34Å
195	N	37.9	Very low	33.9	Very low	145 Å²	145	103.1 Å²	103.1	78%	0.775	55%	0.551	S	S	*	*			trans	-81	38.1	-165.2	-65.7	12.2	0	0	0	114.8
196	N	39.1	Very low	34.3	Very low	84 Å²	84	98 Å²	98	45%	0.449	52%	0.521	S	S	.	.			trans	-98.2	122.6	174.2	-176.5	-15.8	0	0	0	110.1	S194 L198 T199 W200	S194-N196 PolarHBondContact O-N 3.16Å; N196-L198 PolarHBondContact O-N 3.42Å; N196-L198 VanDerWaalsContact O-N 3.09Å; N196-L198 WeakPolarHBondContact OD1-CB 3.45Å; N196-L198 PolarHBondContact OD1-N 3.08Å; N196-T199 PolarHBondContact O-N 2.96Å; N196-T199 PolarHBondContact O-OG1 2.97Å; N196-W200 PolarHBondContact O-N 3.36Å
197	P	35.3	Very low	34.8	Very low	27 Å²	27	94.3 Å²	94.3	18%	0.175	51%	0.506	C	S	.	.	H	α-helix	trans	-52.7	-32.2	176.4	-29.4	36.3	0	0	0	113.7	W200 F201 P781	P197-W200 PolarHBondContact O-N 2.92Å; P197-F201 WeakPolarHBondContact O-CB 3.34Å; P197-F201 WeakPolarHBondContact O-CD2 3.36Å; P197-F201 PolarHBondContact O-N 2.9Å; P197-P781 HydrophobicContact CB-CG 4.19Å; P197-P781 HydrophobicContact CG-CB 4.32Å; P197-P781 HydrophobicContact CG-CG 4.3Å
198	L	38.4	Very low	35.2	Very low	107 Å²	107	91.7 Å²	91.7	56%	0.56	49%	0.49	S	S	*	.	H	α-helix	trans	-65.9	-36	176.5	-110.6	72.4	0	0	0	113.3	N196 N202	N196-L198 PolarHBondContact O-N 3.42Å; N196-L198 VanDerWaalsContact O-N 3.09Å; N196-L198 WeakPolarHBondContact OD1-CB 3.45Å; N196-L198 PolarHBondContact OD1-N 3.08Å; L198-N202 WeakPolarHBondContact O-CB 3.45Å; L198-N202 VanDerWaalsContact O-CG 3.3Å; L198-N202 PolarHBondContact O-N 2.77Å; L198-N202 VanDerWaalsContact O-N 3.11Å; L198-N202 PolarHBondContact O-ND2 3.38Å
199	T	41.5	Very low	35.5	Very low	67 Å²	67	86.2 Å²	86.2	41%	0.411	46%	0.462	S	S	.	.	H	α-helix	trans	-74.7	-36	177.7	36.3	0	0	0	0	111.6	S194 N196 N202 N203	S194-T199 PolarHBondContact O-OG1 3.34Å; N196-T199 PolarHBondContact O-N 2.96Å; N196-T199 PolarHBondContact O-OG1 2.97Å; T199-N202 PolarHBondContact O-N 3.32Å; T199-N203 PolarHBondContact O-N 2.83Å; T199-N203 PolarHBondContact O-OD1 3.12Å
200	W	40.9	Very low	35.8	Very low	42 Å²	42	85 Å²	85	16%	0.159	45%	0.447	C	S	.	.	H	α-helix	trans	-60.9	-50.3	172.1	-173.7	87.6	0	0	0	111.2	N196 P197 N202 N203 L204 L755 F779 L780 P781 I784	N196-W200 PolarHBondContact O-N 3.36Å; P197-W200 PolarHBondContact O-N 2.92Å; W200-N202 VanDerWaalsContact C-N 3.33Å; W200-N202 PolarHBondContact O-N 3Å; W200-N203 PolarHBondContact O-N 3Å; W200-N203 VanDerWaalsContact O-N 3.11Å; W200-L204 HydrophobicContact CD2-CD1 3.59Å; W200-L204 HydrophobicContact CE3-CD1 3.4Å; W200-L204 VanDerWaalsContact CE3-CD1 3.4Å; W200-L204 HydrophobicContact CG-CD1 4.43Å; W200-L204 HydrophobicContact CH2-CD1 3.28Å; W200-L204 HydrophobicContact CH2-CD2 4.25Å; W200-L204 HydrophobicContact CH2-CG 4.38Å; W200-L204 HydrophobicContact CZ2-CD1 3.51Å; W200-L204 HydrophobicContact CZ2-CD2 3.95Å; W200-L204 HydrophobicContact CZ2-CG 4.29Å; W200-L204 HydrophobicContact CZ3-CD1 3.25Å; W200-L204 WeakPolarHBondContact O-CD1 3.33Å; W200-L204 PolarHBondContact O-N 3.17Å; W200-L755 HydrophobicContact CH2-CD2 4.35Å; W200-F779 PolarHBondContact NE1-O 3.13Å; W200-L780 HydrophobicContact CH2-CD2 3.35Å; W200-L780 HydrophobicContact CZ2-CD2 3.19Å; W200-L780 HydrophobicContact CZ3-CD2 4.33Å; W200-P781 HydrophobicContact CB-CG 3.87Å; W200-P781 VanDerWaalsContact CD2-CD 3.4Å; W200-P781 HydrophobicContact CD2-CG 3.91Å; W200-P781 HydrophobicContact CE3-CG 4.16Å; W200-P781 HydrophobicContact CG-CG 3.77Å; W200-I784 HydrophobicContact CE3-CD1 3.76Å; W200-I784 HydrophobicContact CZ3-CD1 3.57Å; W200-I784 HydrophobicContact CZ3-CG1 4.15Å
201	F	38.4	Very low	36.1	Very low	27 Å²	27	78.5 Å²	78.5	12%	0.118	42%	0.418	C	S	.	.	H	α-helix	trans	-49	-49.6	171.2	-108	-95.3	0	0	0	112.8	P197 N203 Y205 I784 V787 L788	P197-F201 WeakPolarHBondContact O-CB 3.34Å; P197-F201 WeakPolarHBondContact O-CD2 3.36Å; P197-F201 PolarHBondContact O-N 2.9Å; F201-N203 PolarHBondContact O-N 3.18Å; F201-Y205 AromaticContact CD1-CD2 3.85Å; F201-Y205 HydrophobicContact CD1-CD2 3.85Å; F201-Y205 AromaticContact CD1-CE2 3.48Å; F201-Y205 HydrophobicContact CD1-CE2 3.48Å; F201-Y205 VanDerWaalsContact CD1-CE2 3.48Å; F201-Y205 AromaticContact CE1-CE2 3.83Å; F201-Y205 HydrophobicContact CE1-CE2 3.83Å; F201-Y205 HydrophobicContact CG-CE2 4.21Å; F201-Y205 WeakPolarHBondContact O-CD2 3.27Å; F201-I784 HydrophobicContact CD2-CD1 3.98Å; F201-I784 HydrophobicContact CE2-CD1 3.57Å; F201-V787 HydrophobicContact CD2-CG1 4.43Å; F201-V787 HydrophobicContact CE2-CB 4.29Å; F201-V787 HydrophobicContact CE2-CG1 3.5Å; F201-V787 VanDerWaalsContact CE2-CG1 3.5Å; F201-V787 HydrophobicContact CZ-CG1 3.77Å; F201-L788 HydrophobicContact CE1-CD2 4.34Å; F201-L788 HydrophobicContact CE2-CD1 4.25Å; F201-L788 HydrophobicContact CE2-CG 4.19Å; F201-L788 HydrophobicContact CZ-CD1 3.96Å; F201-L788 HydrophobicContact CZ-CD2 3.65Å; F201-L788 HydrophobicContact CZ-CG 3.71Å
202	N	40.6	Very low	36.6	Very low	100 Å²	100	76.8 Å²	76.8	54%	0.535	40%	0.404	S	S	.	.	H	α-helix	trans	-69.7	-12.5	-175.2	-76.5	-51.4	0	0	0	114.2	L198 T199 W200	L198-N202 WeakPolarHBondContact O-CB 3.45Å; L198-N202 VanDerWaalsContact O-CG 3.3Å; L198-N202 PolarHBondContact O-N 2.77Å; L198-N202 VanDerWaalsContact O-N 3.11Å; L198-N202 PolarHBondContact O-ND2 3.38Å; T199-N202 PolarHBondContact O-N 3.32Å; W200-N202 VanDerWaalsContact C-N 3.33Å; W200-N202 PolarHBondContact O-N 3Å
203	N	39.6	Very low	36.8	Very low	107 Å²	107	71.7 Å²	71.7	57%	0.572	38%	0.377	S	S	*	.	H	α-helix	trans	-92.1	-42.9	179.5	-71.2	-6.3	0	0	0	112.7	T199 W200 F201 Y205	T199-N203 PolarHBondContact O-N 2.83Å; T199-N203 PolarHBondContact O-OD1 3.12Å; W200-N203 PolarHBondContact O-N 3Å; W200-N203 VanDerWaalsContact O-N 3.11Å; F201-N203 PolarHBondContact O-N 3.18Å; N203-Y205 VanDerWaalsContact C-N 3.32Å; N203-Y205 PolarHBondContact O-N 3.37Å
204	L	39	Very low	37.1	Very low	27 Å²	27	70 Å²	70	14%	0.141	36%	0.362	C	S	.	.	H	α-helix	trans	-66.2	-37.9	-179.7	-57.3	136.5	0	0	0	112	W200 S206	W200-L204 HydrophobicContact CD2-CD1 3.59Å; W200-L204 HydrophobicContact CE3-CD1 3.4Å; W200-L204 VanDerWaalsContact CE3-CD1 3.4Å; W200-L204 HydrophobicContact CG-CD1 4.43Å; W200-L204 HydrophobicContact CH2-CD1 3.28Å; W200-L204 HydrophobicContact CH2-CD2 4.25Å; W200-L204 HydrophobicContact CH2-CG 4.38Å; W200-L204 HydrophobicContact CZ2-CD1 3.51Å; W200-L204 HydrophobicContact CZ2-CD2 3.95Å; W200-L204 HydrophobicContact CZ2-CG 4.29Å; W200-L204 HydrophobicContact CZ3-CD1 3.25Å; W200-L204 WeakPolarHBondContact O-CD1 3.33Å; W200-L204 PolarHBondContact O-N 3.17Å; L204-S206 PolarHBondContact O-N 3.19Å
205	Y	36.5	Very low	37	Very low	16 Å²	16	68.3 Å²	68.3	6%	0.063	35%	0.349	C	S	.	.	S	Bend	trans	-90	108.1	-171.7	-61.4	-51.8	0	0	0	110.7	F201 N203 I209 L213 P757 L760	F201-Y205 AromaticContact CD1-CD2 3.85Å; F201-Y205 HydrophobicContact CD1-CD2 3.85Å; F201-Y205 AromaticContact CD1-CE2 3.48Å; F201-Y205 HydrophobicContact CD1-CE2 3.48Å; F201-Y205 VanDerWaalsContact CD1-CE2 3.48Å; F201-Y205 AromaticContact CE1-CE2 3.83Å; F201-Y205 HydrophobicContact CE1-CE2 3.83Å; F201-Y205 HydrophobicContact CG-CE2 4.21Å; F201-Y205 WeakPolarHBondContact O-CD2 3.27Å; N203-Y205 VanDerWaalsContact C-N 3.32Å; N203-Y205 PolarHBondContact O-N 3.37Å; Y205-I209 HydrophobicContact CD1-CB 3.77Å; Y205-I209 HydrophobicContact CD1-CD1 4.11Å; Y205-I209 HydrophobicContact CD1-CG2 3.35Å; Y205-I209 HydrophobicContact CE1-CG2 3.83Å; Y205-I209 HydrophobicContact CG-CB 4.29Å; Y205-I209 HydrophobicContact CG-CG2 4.17Å; Y205-L213 HydrophobicContact CD1-CD1 4.31Å; Y205-L213 HydrophobicContact CD2-CD1 4.25Å; Y205-L213 HydrophobicContact CE1-CD1 4.05Å; Y205-L213 HydrophobicContact CE2-CD1 4.03Å; Y205-L213 HydrophobicContact CG-CD1 4.42Å; Y205-P757 HydrophobicContact CE1-CG 4.43Å; Y205-L760 VanDerWaalsContact OH-CD2 3.25Å; Y205-L760 WeakPolarHBondContact OH-CD2 3.21Å
206	S	38.3	Very low	36.7	Very low	37 Å²	37	64.3 Å²	64.3	26%	0.259	33%	0.327	S	S	.	.			trans	-39.7	133.9	148.6	174	0	0	0	0	108.5	L204 H208 I209 E654	L204-S206 PolarHBondContact O-N 3.19Å; S206-H208 PolarHBondContact O-N 3.45Å; S206-I209 PolarHBondContact O-N 3.33Å; S206-E654 WeakPolarHBondContact CB-OE1 3.33Å; S206-E654 PolarHBondContact OG-OE1 2.81Å
207	P	35.4	Very low	36.3	Very low	79 Å²	79	64.2 Å²	64.2	51%	0.513	33%	0.332	S	S	.	.	H	α-helix	trans	-53.8	-22.2	-175.5	-30.1	36.2	0	0	0	114.4	Y210 D211	P207-Y210 PolarHBondContact O-N 2.82Å; P207-D211 PolarHBondContact O-N 3.16Å
208	H	36.9	Very low	35.9	Very low	117 Å²	117	70.3 Å²	70.3	54%	0.542	36%	0.363	S	S	.	.	H	α-helix	trans	-68.1	-32.9	173.9	-59.5	-50.2	0	0	0	113.6	S206 Y212	S206-H208 PolarHBondContact O-N 3.45Å; H208-Y212 WeakPolarHBondContact O-CB 3.39Å; H208-Y212 PolarHBondContact O-N 3.2Å
209	I	34.9	Very low	35.3	Very low	32 Å²	32	70.9 Å²	70.9	16%	0.164	37%	0.366	C	S	.	.	H	α-helix	trans	-73.3	-33.5	174.9	-53.3	171.6	0	0	0	110.7	Y205 S206 Y212 L213 P757	Y205-I209 HydrophobicContact CD1-CB 3.77Å; Y205-I209 HydrophobicContact CD1-CD1 4.11Å; Y205-I209 HydrophobicContact CD1-CG2 3.35Å; Y205-I209 HydrophobicContact CE1-CG2 3.83Å; Y205-I209 HydrophobicContact CG-CB 4.29Å; Y205-I209 HydrophobicContact CG-CG2 4.17Å; S206-I209 PolarHBondContact O-N 3.33Å; I209-Y212 PolarHBondContact O-N 2.88Å; I209-Y212 VanDerWaalsContact O-N 3.15Å; I209-L213 HydrophobicContact CG2-CD1 4.04Å; I209-L213 HydrophobicContact CG2-CG 4.03Å; I209-L213 WeakPolarHBondContact O-CB 3.36Å; I209-L213 VanDerWaalsContact O-CG 3.31Å; I209-L213 WeakPolarHBondContact O-CG 3.3Å; I209-L213 PolarHBondContact O-N 3.21Å; I209-P757 HydrophobicContact CD1-CG 4.32Å
210	Y	31.5	Very low	34.5	Very low	117 Å²	117	73.5 Å²	73.5	46%	0.459	38%	0.383	S	S	.	.	H	α-helix	trans	-66.7	-37	174.4	-168.6	-94.3	0	0	0	112.5	P207 K214	P207-Y210 PolarHBondContact O-N 2.82Å; Y210-K214 WeakPolarHBondContact O-CB 3.41Å
211	D	33.9	Very low	33.9	Very low	39 Å²	39	76.6 Å²	76.6	21%	0.209	41%	0.41	C	S	.	.	H	α-helix	trans	-66.2	-40.1	168.2	-85.3	-26.4	0	0	0	111.3	P207 K214 T215	P207-D211 PolarHBondContact O-N 3.16Å; D211-K214 WeakPolarHBondContact O-CB 3.38Å; D211-K214 PolarHBondContact O-N 2.99Å; D211-T215 PolarHBondContact O-N 2.97Å
212	Y	35.6	Very low	33.2	Very low	77 Å²	77	81.7 Å²	81.7	30%	0.302	44%	0.444	S	S	.	.	H	α-helix	trans	-65.1	-50.4	179.5	176.6	-104	0	0	0	113.6	H208 I209 K214 T215 I216 N658	H208-Y212 WeakPolarHBondContact O-CB 3.39Å; H208-Y212 PolarHBondContact O-N 3.2Å; I209-Y212 PolarHBondContact O-N 2.88Å; I209-Y212 VanDerWaalsContact O-N 3.15Å; Y212-K214 PolarHBondContact O-N 3.36Å; Y212-T215 PolarHBondContact O-N 3.03Å; Y212-T215 PolarHBondContact O-OG1 2.98Å; Y212-I216 HydrophobicContact CE1-CD1 3.75Å; Y212-I216 HydrophobicContact CE1-CG1 4.38Å; Y212-N658 PolarHBondContact OH-OD1 2.86Å
213	L	33.3	Very low	32.4	Very low	27 Å²	27	82.4 Å²	82.4	14%	0.141	46%	0.457	C	S	.	.	H	α-helix	trans	-56.8	-21.6	177.3	-70.7	170.5	0	0	0	112.7	Y205 I209 L760	Y205-L213 HydrophobicContact CD1-CD1 4.31Å; Y205-L213 HydrophobicContact CD2-CD1 4.25Å; Y205-L213 HydrophobicContact CE1-CD1 4.05Å; Y205-L213 HydrophobicContact CE2-CD1 4.03Å; Y205-L213 HydrophobicContact CG-CD1 4.42Å; I209-L213 HydrophobicContact CG2-CD1 4.04Å; I209-L213 HydrophobicContact CG2-CG 4.03Å; I209-L213 WeakPolarHBondContact O-CB 3.36Å; I209-L213 VanDerWaalsContact O-CG 3.31Å; I209-L213 WeakPolarHBondContact O-CG 3.3Å; I209-L213 PolarHBondContact O-N 3.21Å; L213-L760 HydrophobicContact CD2-CD2 3.96Å
214	K	34.7	Very low	31.6	Very low	119 Å²	119	82.8 Å²	82.8	52%	0.517	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.8	179.3	-159.5	170.9	-168.3	162.9	0	113.9	Y210 D211 Y212	Y210-K214 WeakPolarHBondContact O-CB 3.41Å; D211-K214 WeakPolarHBondContact O-CB 3.38Å; D211-K214 PolarHBondContact O-N 2.99Å; Y212-K214 PolarHBondContact O-N 3.36Å
215	T	34.4	Very low	31	Very low	42 Å²	42	89.7 Å²	89.7	26%	0.258	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-10.2	170.8	56.5	0	0	0	0	113.8	Y137 D211 Y212 S217	Y137-T215 HydrophobicContact CD1-CG2 3.76Å; Y137-T215 HydrophobicContact CE1-CG2 3.95Å; D211-T215 PolarHBondContact O-N 2.97Å; Y212-T215 PolarHBondContact O-N 3.03Å; Y212-T215 PolarHBondContact O-OG1 2.98Å; T215-S217 PolarHBondContact O-N 2.93Å
216	I	32.9	Very low	30.4	Very low	61 Å²	61	93.9 Å²	93.9	31%	0.313	54%	0.536	S	S	.	.	S	Bend	trans	-77	115.7	171.2	-61.8	169.6	0	0	0	108.5	Y212 L218	Y212-I216 HydrophobicContact CE1-CD1 3.75Å; Y212-I216 HydrophobicContact CE1-CG1 4.38Å; I216-L218 PolarHBondContact O-N 3.03Å
217	S	29.4	Very low	29.6	Very low	81 Å²	81	100.1 Å²	100.1	57%	0.566	56%	0.561	S	S	*	*			trans	-65.3	119.5	-178.3	-55.3	0	0	0	0	112.6	T215 N219	T215-S217 PolarHBondContact O-N 2.93Å; S217-N219 VanDerWaalsContact C-N 3.29Å; S217-N219 PolarHBondContact O-N 3.04Å
218	L	27.5	Very low	29.1	Very low	155 Å²	155	104.1 Å²	104.1	81%	0.812	58%	0.577	S	S	*	*			trans	-75.7	73.3	172.9	-76.8	165.2	0	0	0	111.7	I216 T220	I216-L218 PolarHBondContact O-N 3.03Å; L218-T220 VanDerWaalsContact C-N 3.33Å; L218-T220 PolarHBondContact O-N 3.29Å
219	N	26.4	Very low	28.4	Very low	120 Å²	120	104.1 Å²	104.1	64%	0.642	58%	0.581	S	S	*	*			trans	-95	53	173	-78.4	26.1	0	0	0	111.6	S217 S221	S217-N219 VanDerWaalsContact C-N 3.29Å; S217-N219 PolarHBondContact O-N 3.04Å; N219-S221 PolarHBondContact O-N 2.78Å
220	T	25.3	Very low	28	Very low	122 Å²	122	109 Å²	109	75%	0.748	61%	0.612	S	S	*	*			trans	-95.7	77.1	174	51	0	0	0	0	110.5	L218	L218-T220 VanDerWaalsContact C-N 3.33Å; L218-T220 PolarHBondContact O-N 3.29Å
221	S	26.5	Very low	27.5	Very low	106 Å²	106	108.4 Å²	108.4	74%	0.741	63%	0.625	S	S	*	*			trans	-107.2	87.8	172.6	59.5	0	0	0	0	110.5	N219 S223	N219-S221 PolarHBondContact O-N 2.78Å; S221-S223 PolarHBondContact O-N 3.47Å; S221-S223 VanDerWaalsContact O-N 3.15Å
222	T	24.2	Very low	27.1	Very low	135 Å²	135	115.9 Å²	115.9	83%	0.828	66%	0.656	S	S	*	*			trans	-67.2	105.8	173.4	48.4	0	0	0	0	110.6
223	S	25.2	Very low	26.5	Very low	115 Å²	115	121 Å²	121	80%	0.804	68%	0.68	S	S	*	*			trans	-111.4	45.4	175.3	68.7	0	0	0	0	112.5	S221 L225	S221-S223 PolarHBondContact O-N 3.47Å; S221-S223 VanDerWaalsContact O-N 3.15Å; S223-L225 PolarHBondContact O-N 3.24Å
224	S	22.6	Very low	26.3	Very low	114 Å²	114	130.6 Å²	130.6	80%	0.797	72%	0.715	S	S	*	*			trans	-79.8	84.7	166	55.7	0	0	0	0	109.6
225	L	25.3	Very low	25.8	Very low	173 Å²	173	131.8 Å²	131.8	91%	0.906	73%	0.727	S	S	*	*			trans	-108	137.9	168	-147.6	75.8	0	0	0	109.5	S223	S223-L225 PolarHBondContact O-N 3.24Å
226	S	23.8	Very low	25.3	Very low	104 Å²	104	141 Å²	141	73%	0.727	76%	0.759	S	S	*	*			trans	-80.2	148.9	-165.2	52.2	0	0	0	0	114.4
227	E	22.5	Very low	25.1	Very low	168 Å²	168	143.1 Å²	143.1	79%	0.785	77%	0.77	S	S	*	*			trans	33.7	112.8	147.6	-61.8	-175.2	-177.1	0	0	119.2
228	L	25	Very low	24.9	Very low	163 Å²	163	145.3 Å²	145.3	85%	0.853	78%	0.783	S	S	*	*			trans	-152.6	119.2	139.4	-115.6	162.6	0	0	0	111.3
229	N	22.4	Very low	24.7	Very low	117 Å²	117	147.5 Å²	147.5	63%	0.626	78%	0.78	S	S	*	*			trans	-63.9	137.8	172.8	-62.1	-11.7	0	0	0	109.9
230	T	24.7	Very low	24.7	Very low	133 Å²	133	150.9 Å²	150.9	82%	0.816	79%	0.789	S	S	*	*				177.1	159.3	107.3	31.4	0	0	0	0	112.3
231	S	22.1	Very low	24.9	Very low	105 Å²	105	153.7 Å²	153.7	73%	0.734	79%	0.794	S	S	*	*			trans	-67.2	139.1	178.4	50.3	0	0	0	0	113.7
232	K	25.9	Very low	24.9	Very low	197 Å²	197	158.5 Å²	158.5	86%	0.857	80%	0.802	S	S	*	*				-167.6	146.7	121.3	-102.8	151.5	-171.3	172.2	0	112.8
233	K	23.5	Very low	25.1	Very low	184 Å²	184	159.7 Å²	159.7	80%	0.8	80%	0.803	S	S	*	*			trans	-70.7	136.2	173.2	-57.7	167.7	178.6	175.2	0	109.7
234	Y	28.2	Very low	25.1	Very low	228 Å²	228	159 Å²	159	89%	0.894	80%	0.798	S	S	*	*			trans	-138.2	132.6	138.9	-86.2	-72.8	0	0	0	109.2
235	L	23.7	Very low	25.2	Very low	145 Å²	145	159.3 Å²	159.3	76%	0.759	80%	0.795	S	S	*	*			trans	-82.6	150.6	177.2	-73.8	69.4	0	0	0	109
236	Y	25.3	Very low	25.5	Very low	235 Å²	235	156 Å²	156	92%	0.922	79%	0.787	S	S	*	*			trans	-132.3	123.9	151	-135.7	-97.2	0	0	0	108.4
237	D	27.4	Very low	25.6	Very low	105 Å²	105	158.9 Å²	158.9	56%	0.561	79%	0.792	S	S	*	*			trans	-108.4	116.4	-167.1	177.9	13.6	0	0	0	109.6	R239	D237-R239 PolarHBondContact O-N 2.8Å
238	P	25.2	Very low	26	Very low	127 Å²	127	155.3 Å²	155.3	83%	0.825	79%	0.786	S	S	*	*			trans	-78.3	50.7	-175.5	34.2	-36.8	0	0	0	112.4
239	R	23.9	Very low	26.2	Very low	202 Å²	202	155.5 Å²	155.5	76%	0.762	78%	0.78	S	S	*	*			trans	-141.4	66.4	-176	-70.4	-171.8	168.3	-173.5	-3.2	114.1	D237	D237-R239 PolarHBondContact O-N 2.8Å
240	K	26.7	Very low	26.7	Very low	191 Å²	191	156.4 Å²	156.4	83%	0.83	78%	0.784	S	S	*	*			trans	-166.7	152	153.1	-101.6	135.2	-167.2	170.6	0	112.5
241	H	29.8	Very low	26.9	Very low	181 Å²	181	157.6 Å²	157.6	84%	0.838	78%	0.781	S	S	*	*			trans	94.7	49.9	176.2	-57.4	-66.5	0	0	0	118.6
242	F	25.1	Very low	27.3	Very low	207 Å²	207	156.8 Å²	156.8	91%	0.908	78%	0.775	S	S	*	*			trans	-73.8	143.7	134.7	-102.4	-88	0	0	0	109.6
243	N	28.6	Very low	27.6	Very low	159 Å²	159	154.9 Å²	154.9	85%	0.85	77%	0.773	S	S	*	*			trans	-152.7	131.6	154.1	-120.6	0.7	0	0	0	109.2
244	S	24.8	Very low	27.8	Very low	100 Å²	100	152.5 Å²	152.5	70%	0.699	77%	0.768	S	S	*	*			trans	-85.1	161.4	175.2	45.6	0	0	0	0	110.3
245	T	26	Very low	27.7	Very low	122 Å²	122	148.7 Å²	148.7	75%	0.748	76%	0.759	S	S	*	*				-179.9	-175.6	74	40	0	0	0	0	110.6
246	S	30.2	Very low	27.9	Very low	104 Å²	104	148 Å²	148	73%	0.727	76%	0.755	S	S	*	*			trans	78.5	123.3	-176.2	68.4	0	0	0	0	114.7
247	I	26.9	Very low	28	Very low	163 Å²	163	147.7 Å²	147.7	84%	0.836	75%	0.754	S	S	*	*			cis	79.1	124.1	29.8	-52.3	163.7	0	0	0	110.8
248	S	31.2	Very low	27.9	Very low	94 Å²	94	146.9 Å²	146.9	66%	0.657	76%	0.757	S	S	*	*			cis	-137.9	159.9	25.5	49	0	0	0	0	114.4
249	K	28.1	Very low	28	Very low	167 Å²	167	149.1 Å²	149.1	73%	0.726	76%	0.756	S	S	*	*				45	142.6	105.9	-48.9	-175.9	176.3	-178.6	0	116.1
250	D	32.9	Very low	28.2	Very low	135 Å²	135	149.1 Å²	149.1	72%	0.722	76%	0.764	S	S	*	*			cis	-119	157.2	28.3	-66.3	-47.5	0	0	0	113.5
251	Q	30.5	Very low	28.1	Very low	158 Å²	158	145.3 Å²	145.3	74%	0.738	76%	0.762	S	S	*	*				65.4	139.3	52.3	-77.8	-170.6	-16.6	0	0	115.1
252	S	28.8	Very low	28.2	Very low	88 Å²	88	141.8 Å²	141.8	62%	0.615	76%	0.755	S	S	*	*			cis	177	134.3	-32.2	44	0	0	0	0	109.8
253	I	31.9	Very low	28.4	Very low	157 Å²	157	141.4 Å²	141.4	81%	0.805	76%	0.756	S	S	*	*			trans	-160.3	105.7	159.9	-94.2	134.9	0	0	0	105
254	L	28.8	Very low	28.2	Very low	134 Å²	134	140.6 Å²	140.6	70%	0.702	75%	0.747	S	S	*	*				63	138.4	82.7	-65	168.5	0	0	0	112.7
255	Q	26.1	Very low	28.4	Very low	149 Å²	149	144.5 Å²	144.5	70%	0.696	76%	0.759	S	S	*	*			cis	159.3	153.2	-16.9	-114.5	-170.8	-12	0	0	104.3
256	N	26.9	Very low	28.5	Very low	130 Å²	130	143 Å²	143	70%	0.695	75%	0.746	S	S	*	*			trans	70.1	140.3	175	-41.2	-42.2	0	0	0	113.2
257	Y	29.1	Very low	28.3	Very low	229 Å²	229	146.7 Å²	146.7	90%	0.898	75%	0.745	S	S	*	*			cis	-134.1	178.6	30.1	-94.4	-90.1	0	0	0	114.4
258	S	24.6	Very low	28.3	Very low	88 Å²	88	144.9 Å²	144.9	62%	0.615	74%	0.744	S	S	*	*			trans	-122.2	168.2	-173.1	53.5	0	0	0	0	113.3
259	H	26.9	Very low	28	Very low	174 Å²	174	146.6 Å²	146.6	81%	0.806	74%	0.744	S	S	*	*			trans	58	114.1	169.4	-56	-76.7	0	0	0	118.8
260	Q	28.8	Very low	27.9	Very low	201 Å²	201	146.2 Å²	146.2	94%	0.939	75%	0.75	S	S	*	*				-163.8	139.6	119.3	-110	171.3	20.6	0	0	113.8
261	S	23.6	Very low	27.6	Very low	112 Å²	112	148.1 Å²	148.1	78%	0.783	75%	0.752	S	S	*	*			trans	-162.7	172	162.4	69	0	0	0	0	106.6
262	P	32.3	Very low	27.4	Very low	106 Å²	106	152 Å²	152	69%	0.688	76%	0.762	S	S	*	*			cis	-121.2	-177.1	-12.4	41.6	-29.1	0	0	0	111.8
263	Q	30.2	Very low	27.2	Very low	199 Å²	199	153.9 Å²	153.9	93%	0.93	77%	0.77	S	S	*	*			trans	-136	141.9	145.6	-77.6	-160.8	-15	0	0	110.8
264	Q	24.6	Very low	26.9	Very low	143 Å²	143	151.9 Å²	151.9	67%	0.668	77%	0.77	S	S	*	*			trans	-103.6	149	177.5	-64.1	171.8	-20.9	0	0	109.7	N266	Q264-N266 PolarHBondContact OE1-ND2 2.95Å
265	I	28.5	Very low	26.7	Very low	182 Å²	182	153.1 Å²	153.1	93%	0.933	78%	0.776	S	S	*	*			trans	-124.7	137.3	148.5	-62.3	-178	0	0	0	106.3
266	N	28.1	Very low	26.7	Very low	90 Å²	90	153.5 Å²	153.5	48%	0.481	78%	0.781	S	S	.	*			trans	-120.3	131.9	-151	-95.4	-26.3	0	0	0	113.4	Q264	Q264-N266 PolarHBondContact OE1-ND2 2.95Å
267	Y	25.7	Very low	26.5	Very low	181 Å²	181	155.9 Å²	155.9	71%	0.71	79%	0.788	S	S	*	*			trans	66.3	167.5	144.5	-71.1	-51.4	0	0	0	118.3	I269	Y267-I269 HydrophobicContact CD1-CD1 4.48Å; Y267-I269 HydrophobicContact CD1-CG1 4.42Å; Y267-I269 HydrophobicContact CE1-CD1 4.02Å; Y267-I269 HydrophobicContact CE1-CG1 4.41Å
268	P	27.2	Very low	26.3	Very low	125 Å²	125	150.7 Å²	150.7	81%	0.812	78%	0.781	S	S	*	*			cis	-112.1	153	6.1	39.6	-28.7	0	0	0	117
269	I	23.6	Very low	26.5	Very low	130 Å²	130	152.4 Å²	152.4	67%	0.667	79%	0.792	S	S	*	*			trans	-72.8	139.2	159.5	-64.3	160.1	0	0	0	107.6	Y267	Y267-I269 HydrophobicContact CD1-CD1 4.48Å; Y267-I269 HydrophobicContact CD1-CG1 4.42Å; Y267-I269 HydrophobicContact CE1-CD1 4.02Å; Y267-I269 HydrophobicContact CE1-CG1 4.41Å
270	N	27.5	Very low	26.5	Very low	160 Å²	160	154.9 Å²	154.9	86%	0.856	80%	0.795	S	S	*	*			trans	-139.1	147	149.8	-139.2	-15.7	0	0	0	111.7
271	K	24.8	Very low	26.3	Very low	175 Å²	175	151.3 Å²	151.3	76%	0.761	79%	0.79	S	S	*	*			trans	-88.7	132.4	-173.9	-60.7	169.1	-178.3	171.2	0	109.9
272	Y	27.4	Very low	26.5	Very low	238 Å²	238	156.7 Å²	156.7	93%	0.933	80%	0.795	S	S	*	*			trans	-143.3	129.2	135.1	-97	-69.8	0	0	0	110.4
273	T	24	Very low	26.2	Very low	129 Å²	129	157.3 Å²	157.3	79%	0.791	80%	0.797	S	S	*	*			trans	-103.9	118.4	177.9	45.1	0	0	0	0	109.8
274	S	27.2	Very low	26	Very low	115 Å²	115	154 Å²	154	80%	0.804	79%	0.792	S	S	*	*			trans	-134.1	134.7	160.2	53.5	0	0	0	0	108.9
275	L	23.8	Very low	26.1	Very low	159 Å²	159	154.8 Å²	154.8	83%	0.832	80%	0.801	S	S	*	*			trans	-90.3	117.9	-172.8	-75.1	71.5	0	0	0	110.3
276	I	25.2	Very low	26	Very low	157 Å²	157	151.4 Å²	151.4	81%	0.805	79%	0.789	S	S	*	*			trans	-134.1	132.3	152.5	-59	-175.9	0	0	0	108.4	T278	I276-T278 PolarHBondContact O-N 3.16Å
277	H	24.5	Very low	25.8	Very low	180 Å²	180	153 Å²	153	83%	0.833	81%	0.807	S	S	*	*			trans	-70.3	116.1	-174.1	-91.5	-117.4	0	0	0	112.6
278	T	24.7	Very low	25.8	Very low	121 Å²	121	149.5 Å²	149.5	74%	0.742	81%	0.805	S	S	*	*			trans	-126.8	89.1	166.1	47.1	0	0	0	0	110.2	I276 R280	I276-T278 PolarHBondContact O-N 3.16Å; T278-R280 PolarHBondContact O-N 2.77Å; T278-R280 VanDerWaalsContact O-N 3.15Å
279	S	27.4	Very low	25.7	Very low	123 Å²	123	150.4 Å²	150.4	86%	0.86	81%	0.808	S	S	*	*			trans	-72.5	107	177.9	56.2	0	0	0	0	110.6
280	R	27.3	Very low	25.8	Very low	227 Å²	227	151.3 Å²	151.3	86%	0.857	81%	0.813	S	S	*	*			trans	-59.7	157.1	-173.1	-71.7	176.9	172.7	164.1	-3.7	114.8	T278	T278-R280 PolarHBondContact O-N 2.77Å; T278-R280 VanDerWaalsContact O-N 3.15Å
281	C	23.8	Very low	25.6	Very low	126 Å²	126	146.1 Å²	146.1	85%	0.851	80%	0.796	S	S	*	*			trans	-44.8	141.9	170.8	-41.7	0	0	0	0	113.4
282	Y	28.2	Very low	25.5	Very low	225 Å²	225	145.8 Å²	145.8	88%	0.882	80%	0.802	S	S	*	*			trans	-124.6	129	156.4	-88.7	-80.3	0	0	0	109.3
283	T	26.8	Very low	25.4	Very low	118 Å²	118	140.6 Å²	140.6	72%	0.724	80%	0.795	S	S	*	*			trans	-68.4	144.5	177.3	41.5	0	0	0	0	111.1	L285	T283-L285 PolarHBondContact O-N 2.79Å
284	P	25.9	Very low	25.5	Very low	129 Å²	129	141.8 Å²	141.8	84%	0.838	80%	0.797	S	S	*	*			trans	-71.8	98.8	172.8	29.4	-32.8	0	0	0	109.4
285	L	27.2	Very low	25.4	Very low	160 Å²	160	144.2 Å²	144.2	84%	0.838	80%	0.8	S	S	*	*			trans	-58.2	140.8	168.1	-91.9	159.6	0	0	0	110.1	T283	T283-L285 PolarHBondContact O-N 2.79Å
286	T	26.3	Very low	25.5	Very low	111 Å²	111	144.2 Å²	144.2	68%	0.681	80%	0.799	S	S	*	*			trans	-59.8	146.2	-175.7	45.3	0	0	0	0	112.2	T288	T286-T288 VanDerWaalsContact C-N 3.3Å; T286-T288 PolarHBondContact O-N 2.98Å
287	S	24.3	Very low	25.6	Very low	125 Å²	125	145.3 Å²	145.3	87%	0.874	80%	0.801	S	S	*	*			trans	-69.7	83.4	174.2	56.5	0	0	0	0	111
288	T	25.8	Very low	25.8	Very low	107 Å²	107	144.3 Å²	144.3	66%	0.656	80%	0.802	S	S	*	*			trans	-77.5	122.7	168.1	39.8	0	0	0	0	110.1	T286 I290	T286-T288 VanDerWaalsContact C-N 3.3Å; T286-T288 PolarHBondContact O-N 2.98Å; T288-I290 PolarHBondContact O-N 3.09Å
289	T	24.6	Very low	25.8	Very low	143 Å²	143	147 Å²	147	88%	0.877	81%	0.806	S	S	*	*			trans	-66.4	100.9	174.2	-48.2	0	0	0	0	109.7	G291	T289-G291 PolarHBondContact O-N 3.01Å
290	I	24.8	Very low	25.8	Very low	150 Å²	150	148.3 Å²	148.3	77%	0.769	80%	0.803	S	S	*	*			trans	-75.6	94.2	171.9	-59.7	179.4	0	0	0	108	T288	T288-I290 PolarHBondContact O-N 3.09Å
291	G	23.4	Very low	25.8	Very low	50 Å²	50	142.6 Å²	142.6	52%	0.515	80%	0.798	S	S	.	*			trans	-69.5	128.3	166.8	0	0	0	0	0	110.3	T289 T293	T289-G291 PolarHBondContact O-N 3.01Å; G291-T293 VanDerWaalsContact C-N 3.26Å; G291-T293 PolarHBondContact O-N 2.94Å
292	L	23.8	Very low	25.9	Very low	169 Å²	169	143.5 Å²	143.5	89%	0.885	79%	0.793	S	S	*	*			trans	-76.3	77.5	173	-83.6	166.4	0	0	0	110.5
293	T	25	Very low	25.9	Very low	128 Å²	128	139 Å²	139	79%	0.785	78%	0.783	S	S	*	*			trans	-131	54.8	173.2	56.2	0	0	0	0	111.6	G291	G291-T293 VanDerWaalsContact C-N 3.26Å; G291-T293 PolarHBondContact O-N 2.94Å
294	N	25.4	Very low	26	Very low	154 Å²	154	142 Å²	142	82%	0.824	79%	0.786	S	S	*	*			trans	-90	101	162.6	-78	-13.3	0	0	0	108.7
295	L	24.7	Very low	26.1	Very low	166 Å²	166	144.5 Å²	144.5	87%	0.869	78%	0.784	S	S	*	*			trans	173.6	57.1	151.7	-98	165.3	0	0	0	112.9
296	I	26.7	Very low	26.2	Very low	160 Å²	160	141.6 Å²	141.6	82%	0.821	78%	0.777	S	S	*	*			trans	-132.7	120.8	150.1	-59.2	-177.7	0	0	0	106.2
297	Q	27.9	Very low	26.2	Very low	179 Å²	179	141.3 Å²	141.3	84%	0.836	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-83.8	137.6	172.3	-68.1	174.2	-63.5	0	0	108.6	E299	Q297-E299 PolarHBondContact O-N 2.8Å
298	N	27.7	Very low	26.5	Very low	160 Å²	160	140 Å²	140	86%	0.856	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-72.9	122.5	164.3	-74	-11.6	0	0	0	108.4
299	E	25.3	Very low	26.6	Very low	178 Å²	178	140 Å²	140	83%	0.832	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-72.9	162.9	162.4	-68.3	-175.7	132.6	0	0	110.6	Q297	Q297-E299 PolarHBondContact O-N 2.8Å
300	D	26.2	Very low	27.2	Very low	149 Å²	149	138 Å²	138	80%	0.797	76%	0.764	S	S	*	*			trans	53.5	107.4	166	-69.6	-17	0	0	0	120.4
301	S	28.5	Very low	27.5	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	77%	0.766	S	S	*	*				-158.3	109.8	106.3	9.3	0	0	0	0	114.6
302	I	26.5	Very low	27.7	Very low	146 Å²	146	143.3 Å²	143.3	75%	0.749	77%	0.774	S	S	*	*				54.4	122.9	123.8	-55.1	158.8	0	0	0	116.6
303	L	27.6	Very low	28.1	Very low	129 Å²	129	140.7 Å²	140.7	68%	0.675	76%	0.761	S	S	*	*				-175.5	96.6	78.5	-148.6	148.3	0	0	0	116.1
304	K	27.6	Very low	28.6	Very low	181 Å²	181	140 Å²	140	79%	0.787	75%	0.753	S	S	*	*			trans	65.2	165.3	150.3	-47.4	177.4	-169.2	170.5	0	117.4
305	K	29.5	Very low	29	Very low	183 Å²	183	138.3 Å²	138.3	80%	0.796	74%	0.744	S	S	*	*			cis	-161	142.1	15.1	-151.1	179.8	-177	-173.9	0	111.8
306	S	28.9	Very low	29.5	Very low	99 Å²	99	136.2 Å²	136.2	69%	0.692	73%	0.733	S	S	*	*			trans	47.4	145.6	148.6	53.9	0	0	0	0	122.8
307	S	25.2	Very low	30	Very low	105 Å²	105	134.6 Å²	134.6	73%	0.734	73%	0.726	S	S	*	*			cis	-176.4	175	-12	51.1	0	0	0	0	111.8
308	S	31.5	Very low	30.4	Very low	97 Å²	97	131.8 Å²	131.8	68%	0.678	72%	0.717	S	S	*	*			trans	65.8	94.9	153	52	0	0	0	0	123.1
309	S	28.8	Very low	30.8	Very low	107 Å²	107	129.6 Å²	129.6	75%	0.748	71%	0.705	S	S	*	*				34.6	165.5	104.2	68.2	0	0	0	0	122.9
310	P	36	Very low	31.2	Very low	101 Å²	101	128.6 Å²	128.6	66%	0.656	71%	0.706	S	S	*	*			cis	-138.4	-167.6	-49.9	42.2	-24.6	0	0	0	112.5
311	F	30.8	Very low	31.6	Very low	182 Å²	182	124.8 Å²	124.8	80%	0.798	70%	0.702	S	S	*	*			trans	154.1	133.8	136.2	-95	-75.1	0	0	0	115.5
312	N	28.6	Very low	31.7	Very low	130 Å²	130	127 Å²	127	70%	0.695	71%	0.705	S	S	*	*			trans	24.2	157.3	138.9	-80.2	9.1	0	0	0	123.5
313	N	32.1	Very low	32	Very low	114 Å²	114	125.9 Å²	125.9	61%	0.61	70%	0.699	S	S	*	*			cis	-161.4	159.7	19.1	-135.8	-0.2	0	0	0	116.5
314	N	34.2	Very low	32.1	Very low	114 Å²	114	126.1 Å²	126.1	61%	0.61	70%	0.701	S	S	*	*			trans	62.3	111.6	141.3	-76.8	-2.9	0	0	0	125.6
315	N	34.2	Very low	32.3	Very low	118 Å²	118	122.3 Å²	122.3	63%	0.631	70%	0.697	S	S	*	*				94.7	110.3	108.2	-68.7	2.8	0	0	0	125
316	N	35.9	Very low	32.3	Very low	121 Å²	121	120.2 Å²	120.2	65%	0.647	69%	0.693	S	S	*	*				109.9	121.7	110.2	-76.6	7.1	0	0	0	122.3
317	N	36.2	Very low	32.2	Very low	126 Å²	126	122 Å²	122	67%	0.674	70%	0.695	S	S	*	*			trans	75	143.6	135.5	-62	4.5	0	0	0	118.8
318	N	37.4	Very low	32.3	Very low	121 Å²	121	122.9 Å²	122.9	65%	0.647	69%	0.692	S	S	*	*			cis	-160	163.8	4.1	-125	-0.3	0	0	0	115.4
319	N	36.5	Very low	32.3	Very low	114 Å²	114	124.4 Å²	124.4	61%	0.61	69%	0.691	S	S	*	*			trans	74.9	101	146.1	-66	-11.2	0	0	0	124.3
320	N	32.9	Very low	32.3	Very low	157 Å²	157	125.9 Å²	125.9	84%	0.84	69%	0.689	S	S	*	*				76.7	135.6	112.7	-57	-15.7	0	0	0	123.9
321	G	35	Very low	32.1	Very low	69 Å²	69	128.4 Å²	128.4	71%	0.711	70%	0.697	S	S	*	*			trans	138.4	69.5	165.6	0	0	0	0	0	114.6
322	N	31.3	Very low	32	Very low	152 Å²	152	125.9 Å²	125.9	81%	0.813	69%	0.692	S	S	*	*				53.3	135.7	89.2	-82.9	3.5	0	0	0	116.3
323	I	31	Very low	32.2	Very low	124 Å²	124	127.9 Å²	127.9	64%	0.636	70%	0.702	S	S	*	*			cis	-166.4	145.8	-10.6	-139	171.6	0	0	0	111.1
324	N	31.2	Very low	32	Very low	134 Å²	134	129.8 Å²	129.8	72%	0.717	71%	0.705	S	S	*	*			trans	52.8	177.7	160.7	-53.8	-20.5	0	0	0	118
325	S	31.3	Very low	32	Very low	100 Å²	100	129.7 Å²	129.7	70%	0.699	71%	0.711	S	S	*	*			cis	-152.8	132.1	-12.9	7.4	0	0	0	0	107.1
326	I	28.6	Very low	31.7	Very low	139 Å²	139	132.7 Å²	132.7	71%	0.713	72%	0.721	S	S	*	*				73.5	119.8	80.7	-66.2	172.4	0	0	0	115.3
327	N	27.8	Very low	31.3	Very low	136 Å²	136	132.3 Å²	132.3	73%	0.727	73%	0.728	S	S	*	*			trans	69.4	145.4	158.5	-67.8	-5.2	0	0	0	118.6
328	N	28	Very low	30.8	Very low	124 Å²	124	129.8 Å²	129.8	66%	0.663	73%	0.725	S	S	*	*			cis	179.9	173.7	16.7	-121.6	-11.6	0	0	0	112.1
329	I	30.9	Very low	30.4	Very low	130 Å²	130	133.4 Å²	133.4	67%	0.667	74%	0.735	S	S	*	*			trans	65.3	102.7	147.4	-68.5	162.1	0	0	0	117.1
330	I	29	Very low	29.9	Very low	138 Å²	138	132.8 Å²	132.8	71%	0.708	74%	0.74	S	S	*	*				75.8	109.7	74.6	-67.1	160.9	0	0	0	113.9
331	N	31.1	Very low	29.7	Very low	154 Å²	154	131 Å²	131	82%	0.824	74%	0.739	S	S	*	*				-170.1	157.5	110.7	-110.4	-33.5	0	0	0	113.6
332	D	28.4	Very low	29.1	Very low	129 Å²	129	134.4 Å²	134.4	69%	0.69	75%	0.746	S	S	*	*			trans	-79.8	164.4	179.1	-57.7	-95	0	0	0	113.8
333	N	32.8	Very low	28.9	Very low	171 Å²	171	132 Å²	132	91%	0.914	74%	0.737	S	S	*	*				-162.8	164.5	115.3	-105.4	-60.6	0	0	0	114.3
334	K	28	Very low	28.7	Very low	154 Å²	154	130.9 Å²	130.9	67%	0.67	74%	0.74	S	S	*	*			trans	-95.3	167.7	-164.2	-104.1	-163.3	171	-167	0	115.2
335	P	35	Very low	28.4	Very low	112 Å²	112	129.1 Å²	129.1	73%	0.727	73%	0.734	S	S	*	*			trans	-100.5	174.3	-170	40.8	-38	0	0	0	114.4
336	Q	27.5	Very low	28.2	Very low	182 Å²	182	132.1 Å²	132.1	85%	0.85	74%	0.735	S	S	*	*			trans	-166.5	144.1	153.1	-116.9	168.7	15.9	0	0	115.1
337	S	27.3	Very low	28.1	Very low	113 Å²	113	132 Å²	132	79%	0.79	74%	0.736	S	S	*	*			trans	64.2	160.8	148.6	68.6	0	0	0	0	120.4
338	A	25.7	Very low	28.1	Very low	73 Å²	73	131.2 Å²	131.2	60%	0.603	73%	0.731	S	S	*	*			cis	-173.7	-179.8	-30.3	0	0	0	0	0	109
339	F	28.8	Very low	28.2	Very low	197 Å²	197	131.9 Å²	131.9	86%	0.864	73%	0.731	S	S	*	*			trans	69.7	163.2	167	-57.1	-77.9	0	0	0	117.6
340	S	25.1	Very low	28.3	Very low	101 Å²	101	131.7 Å²	131.7	71%	0.706	73%	0.731	S	S	*	*				-178.7	143.6	-50.5	54.9	0	0	0	0	109.5
341	S	29.2	Very low	28.4	Very low	119 Å²	119	130.9 Å²	130.9	83%	0.832	73%	0.728	S	S	*	*			trans	-158.4	121.9	164.8	46.1	0	0	0	0	114.6
342	V	22.9	Very low	28.4	Very low	140 Å²	140	129.8 Å²	129.8	85%	0.848	72%	0.722	S	S	*	*			trans	-148.4	105.9	161.2	176.3	0	0	0	0	107.9
343	T	27.7	Very low	28.7	Very low	103 Å²	103	130.2 Å²	130.2	63%	0.632	72%	0.724	S	S	*	*			trans	165.4	159.7	169	32.2	0	0	0	0	107.3	T385	T343-T385 HydrophobicContact CG2-CG2 4.22Å
344	S	27.1	Very low	28.6	Very low	99 Å²	99	128.7 Å²	128.7	69%	0.692	72%	0.716	S	S	*	*			cis	-161.2	175.1	-26	50.6	0	0	0	0	109.1
345	T	24.1	Very low	29	Very low	98 Å²	98	129.3 Å²	129.3	60%	0.601	73%	0.725	S	S	*	*			trans	-75.8	166.7	-170.1	42.2	0	0	0	0	117.2
346	F	26.4	Very low	28.6	Very low	163 Å²	163	130.9 Å²	130.9	72%	0.715	73%	0.727	S	S	*	*			trans	94.2	124.3	155.7	-72.2	-71	0	0	0	121.1
347	N	26.4	Very low	28.9	Very low	135 Å²	135	129.6 Å²	129.6	72%	0.722	73%	0.725	S	S	*	*			trans	44.2	141	140.5	-61.1	9	0	0	0	119.5
348	N	28.4	Very low	29	Very low	120 Å²	120	128.6 Å²	128.6	64%	0.642	72%	0.718	S	S	*	*			cis	-166.4	172.5	45.9	-146.8	0.6	0	0	0	114.3
349	H	31.1	Very low	29.3	Very low	139 Å²	139	133.2 Å²	133.2	64%	0.644	72%	0.724	S	S	*	*			trans	66	108.3	154.9	-74.5	-51	0	0	0	122
350	N	31.3	Very low	29.4	Very low	125 Å²	125	129.1 Å²	129.1	67%	0.668	71%	0.711	S	S	*	*				117.2	124.9	107.1	-80.5	5.6	0	0	0	121
351	N	31.4	Very low	29.7	Very low	122 Å²	122	134.7 Å²	134.7	65%	0.652	72%	0.723	S	S	*	*			trans	86.9	100.1	134.1	-67.6	17.8	0	0	0	121.5
352	N	32.2	Very low	29.7	Very low	130 Å²	130	135.2 Å²	135.2	70%	0.695	72%	0.715	S	S	*	*				109.9	150.7	116.1	-69.1	9.1	0	0	0	119.4
353	N	34.9	Very low	30.1	Very low	139 Å²	139	134.9 Å²	134.9	74%	0.743	71%	0.709	S	S	*	*			trans	70.5	93.1	174.3	-49.8	-12.8	0	0	0	113.1
354	D	30.2	Very low	30.2	Very low	138 Å²	138	135.7 Å²	135.7	74%	0.738	71%	0.709	S	S	*	*				66.2	114.8	66.9	-63.4	-55.5	0	0	0	114.4
355	I	35.3	Very low	30.4	Very low	168 Å²	168	136.8 Å²	136.8	86%	0.862	71%	0.707	S	S	*	*				-173.7	138.6	113.3	-92.9	156.7	0	0	0	109.5
356	N	26.7	Very low	30.8	Very low	145 Å²	145	138.6 Å²	138.6	78%	0.775	71%	0.714	S	S	*	*			trans	-88.8	158.7	178.9	-72.6	-66.2	0	0	0	112.6
357	I	33.8	Very low	30.8	Very low	154 Å²	154	140.8 Å²	140.8	79%	0.79	72%	0.719	S	S	*	*			trans	168.6	100.8	148.5	-91.1	151.6	0	0	0	104.9
358	S	31.1	Very low	31	Very low	93 Å²	93	140 Å²	140	65%	0.65	72%	0.718	S	S	*	*				55.5	139.9	86.9	86.2	0	0	0	0	113.7
359	K	31.6	Very low	30.9	Very low	170 Å²	170	141.3 Å²	141.3	74%	0.739	72%	0.722	S	S	*	*			cis	-164.5	147	29.3	-155.8	156.8	-174.8	-178	0	113.8
360	D	30.1	Very low	30.8	Very low	110 Å²	110	142.6 Å²	142.6	59%	0.588	73%	0.726	S	S	*	*			trans	14.4	128.7	153	-37.1	-25.9	0	0	0	120.5
361	F	31.6	Very low	30.6	Very low	219 Å²	219	141 Å²	141	96%	0.961	73%	0.725	S	S	*	*				-147.2	143.9	114.8	-103.8	-74.2	0	0	0	109.5
362	I	29.1	Very low	30.3	Very low	129 Å²	129	139.5 Å²	139.5	66%	0.662	72%	0.724	S	S	*	*			trans	-131.5	179.9	-167.9	-34.5	-178.6	0	0	0	108.5
363	D	30.9	Very low	29.9	Very low	133 Å²	133	141.7 Å²	141.7	71%	0.711	73%	0.727	S	S	*	*			trans	81.5	141.7	161	-60.6	-18.5	0	0	0	116.8
364	N	31.6	Very low	29.5	Very low	120 Å²	120	142.1 Å²	142.1	64%	0.642	73%	0.729	S	S	*	*			cis	-150.9	145.5	10.7	-108.7	-37	0	0	0	113
365	N	30.7	Very low	29.3	Very low	122 Å²	122	139.1 Å²	139.1	65%	0.652	72%	0.718	S	S	*	*			trans	49.7	148.9	136.4	-52.1	-17.6	0	0	0	122.3
366	D	31.2	Very low	28.7	Very low	137 Å²	137	137.7 Å²	137.7	73%	0.733	71%	0.713	S	S	*	*			cis	-132.5	166.2	-0.3	-91.4	-63.3	0	0	0	109.8
367	Y	28	Very low	28.7	Very low	209 Å²	209	137.5 Å²	137.5	82%	0.82	71%	0.705	S	S	*	*			cis	95	154.7	21.5	-100.1	-92.4	0	0	0	118.5
368	V	29.8	Very low	28.3	Very low	118 Å²	118	136.7 Å²	136.7	72%	0.715	70%	0.698	S	S	*	*			trans	72.1	126.2	176.1	-175.9	0	0	0	0	115.3
369	M	26.9	Very low	28	Very low	147 Å²	147	138.9 Å²	138.9	72%	0.724	70%	0.698	S	S	*	*			cis	-158.7	171.1	-3.2	-116.3	-178.8	-153.2	0	0	107.1
370	K	27.7	Very low	27.6	Very low	166 Å²	166	138.8 Å²	138.8	72%	0.722	70%	0.698	S	S	*	*			cis	-162.7	157.1	15.5	-142	157.9	-172.2	158.3	0	111.1
371	S	27.9	Very low	27.2	Very low	92 Å²	92	138 Å²	138	64%	0.643	70%	0.7	S	S	*	*			trans	42.1	112.6	152.6	53.4	0	0	0	0	120.4
372	S	24.8	Very low	26.9	Very low	90 Å²	90	135.3 Å²	135.3	63%	0.629	70%	0.696	S	S	*	*				73.1	145.3	64.2	79.9	0	0	0	0	114.2
373	F	25.2	Very low	26.5	Very low	177 Å²	177	133.9 Å²	133.9	78%	0.776	69%	0.689	S	S	*	*			cis	-159.2	158.2	31.6	-106.3	-51.6	0	0	0	113.6
374	L	26.2	Very low	26.2	Very low	148 Å²	148	135.8 Å²	135.8	78%	0.775	70%	0.697	S	S	*	*			trans	53.7	150.8	145.5	-62	162.8	0	0	0	120.9
375	S	24.5	Very low	25.8	Very low	74 Å²	74	134.1 Å²	134.1	52%	0.517	69%	0.692	S	S	.	*			cis	179.9	155.1	-30.5	56.3	0	0	0	0	109
376	N	24.5	Very low	25.5	Very low	139 Å²	139	134 Å²	134	74%	0.743	70%	0.696	S	S	*	*			trans	68.2	150.8	150.7	-66	-18.1	0	0	0	117
377	K	26.1	Very low	25.2	Very low	140 Å²	140	133.9 Å²	133.9	61%	0.609	70%	0.695	S	S	*	*			cis	-158.9	151	1.2	-125.9	163.3	165.3	-85.1	0	108.9
378	E	25.4	Very low	25	Very low	137 Å²	137	130.3 Å²	130.3	64%	0.64	69%	0.69	S	S	*	*			trans	60.8	155.4	144.5	-74.2	152.3	-179.9	0	0	120.7
379	Q	23.8	Very low	24.9	Very low	139 Å²	139	133.2 Å²	133.2	65%	0.65	70%	0.7	S	S	*	*			cis	-169.4	171	-38.5	-134.4	177.5	1.8	0	0	108.5
380	F	24.4	Very low	24.9	Very low	169 Å²	169	132.5 Å²	132.5	74%	0.741	70%	0.699	S	S	*	*			trans	60.4	116.5	175.4	-51.4	-75.5	0	0	0	115.7
381	S	21.8	Very low	24.8	Very low	92 Å²	92	132.9 Å²	132.9	64%	0.643	70%	0.7	S	S	*	*			cis	70.9	112.1	44.9	87.5	0	0	0	0	115.2
382	L	24.2	Very low	24.7	Very low	164 Å²	164	136.5 Å²	136.5	86%	0.859	71%	0.713	S	S	*	*				-168.2	160.7	113.5	-104.1	161.2	0	0	0	111.5
383	N	22	Very low	24.8	Very low	98 Å²	98	140.7 Å²	140.7	52%	0.524	72%	0.72	S	S	.	*			trans	-78.2	157.3	179.3	-59.7	-35.3	0	0	0	111.3
384	I	24	Very low	24.7	Very low	173 Å²	173	142.7 Å²	142.7	89%	0.887	73%	0.729	S	S	*	*				-169.7	136.9	116.6	-95.6	152.9	0	0	0	109.5
385	T	22.7	Very low	24.6	Very low	86 Å²	86	142.4 Å²	142.4	53%	0.528	72%	0.723	S	S	.	*			trans	-90	141.1	173.2	48.2	0	0	0	0	110.8	T343	T343-T385 HydrophobicContact CG2-CG2 4.22Å
386	T	24.5	Very low	24.5	Very low	120 Å²	120	144.9 Å²	144.9	74%	0.736	74%	0.74	S	S	*	*				174.6	140.1	105.3	39.5	0	0	0	0	112.1
387	D	24.3	Very low	24.5	Very low	133 Å²	133	142.7 Å²	142.7	71%	0.711	73%	0.732	S	S	*	*			trans	60	128.8	138.9	-70.3	22.2	0	0	0	124
388	N	24.6	Very low	24.3	Very low	134 Å²	134	143.8 Å²	143.8	72%	0.717	74%	0.741	S	S	*	*			trans	58.3	94.1	138.5	-66.9	-49.7	0	0	0	119.4
389	I	27.7	Very low	24.2	Very low	180 Å²	180	142.5 Å²	142.5	92%	0.923	75%	0.748	S	S	*	*				-139.8	146.1	123.2	-102.1	146.8	0	0	0	109.4
390	N	26.9	Very low	24.3	Very low	131 Å²	131	138.7 Å²	138.7	70%	0.701	73%	0.731	S	S	*	*			trans	-117	161.2	-162.8	-151.9	-38.8	0	0	0	111.2
391	K	26.3	Very low	24.3	Very low	174 Å²	174	135.9 Å²	135.9	76%	0.757	73%	0.73	S	S	*	*			trans	70.5	114.2	169.2	-54.9	164.5	-178.6	170.3	0	117.8
392	N	25.8	Very low	24.5	Very low	169 Å²	169	136.6 Å²	136.6	90%	0.904	72%	0.722	S	S	*	*				-144.2	81.8	112.9	-106.6	-28	0	0	0	110.5
393	K	26.1	Very low	24.6	Very low	177 Å²	177	137.5 Å²	137.5	77%	0.77	72%	0.719	S	S	*	*			trans	-82.6	127.2	167.5	-93	-175.1	172.1	-179.8	0	108.9	Q395	K393-Q395 VanDerWaalsContact C-N 3.3Å; K393-Q395 HydrophobicContact CB-CG 4.46Å; K393-Q395 PolarHBondContact O-N 3Å
394	F	23.9	Very low	24.9	Very low	220 Å²	220	138.3 Å²	138.3	97%	0.965	73%	0.732	S	S	*	*			trans	-71.4	85.3	164.3	-96.5	-89.4	0	0	0	110.1	S396	F394-S396 PolarHBondContact O-N 3.16Å
395	Q	23.7	Very low	25.2	Very low	142 Å²	142	138.1 Å²	138.1	66%	0.664	73%	0.733	S	S	*	*			trans	-86	100.9	169	-80.5	-176.1	-89.1	0	0	110.5	K393 T397	K393-Q395 VanDerWaalsContact C-N 3.3Å; K393-Q395 HydrophobicContact CB-CG 4.46Å; K393-Q395 PolarHBondContact O-N 3Å; Q395-T397 HydrophobicContact CB-CG2 4.22Å; Q395-T397 HydrophobicContact CG-CG2 4.47Å; Q395-T397 PolarHBondContact O-N 3.36Å; Q395-T397 VanDerWaalsContact O-N 3.13Å
396	S	22.9	Very low	25.6	Very low	125 Å²	125	137.8 Å²	137.8	87%	0.874	73%	0.725	S	S	*	*			trans	-83.4	52.9	163.9	62.3	0	0	0	0	111.3	F394 M398	F394-S396 PolarHBondContact O-N 3.16Å; S396-M398 PolarHBondContact O-N 3.31Å
397	T	23.2	Very low	25.9	Very low	94 Å²	94	135.5 Å²	135.5	58%	0.577	71%	0.714	S	S	*	*			trans	-80.7	97.9	178	46	0	0	0	0	110.8	Q395 S399	Q395-T397 HydrophobicContact CB-CG2 4.22Å; Q395-T397 HydrophobicContact CG-CG2 4.47Å; Q395-T397 PolarHBondContact O-N 3.36Å; Q395-T397 VanDerWaalsContact O-N 3.13Å; T397-S399 VanDerWaalsContact C-N 3.35Å; T397-S399 PolarHBondContact O-N 3.37Å
398	M	22.4	Very low	26.4	Very low	162 Å²	162	135.5 Å²	135.5	80%	0.798	71%	0.713	S	S	*	*			trans	-72	89.4	165.1	-92.9	-167.3	70.1	0	0	110.3	S396 I400	S396-M398 PolarHBondContact O-N 3.31Å; M398-I400 VanDerWaalsContact C-N 3.32Å; M398-I400 HydrophobicContact CE-CD1 4.02Å; M398-I400 HydrophobicContact CE-CG1 3.97Å; M398-I400 PolarHBondContact O-N 3.24Å
399	S	23.9	Very low	27	Very low	111 Å²	111	134.8 Å²	134.8	78%	0.776	71%	0.709	S	S	*	*			trans	-74.1	79.2	171.5	45.9	0	0	0	0	111.4	T397 P401	T397-S399 VanDerWaalsContact C-N 3.35Å; T397-S399 PolarHBondContact O-N 3.37Å; S399-P401 WeakPolarHBondContact O-CD 3.25Å
400	I	24.9	Very low	27.3	Very low	58 Å²	58	129.5 Å²	129.5	30%	0.297	68%	0.678	S	S	.	*			trans	-70.8	122.1	172.8	-56.3	179	0	0	0	109.1	M398 F402 L414	M398-I400 VanDerWaalsContact C-N 3.32Å; M398-I400 HydrophobicContact CE-CD1 4.02Å; M398-I400 HydrophobicContact CE-CG1 3.97Å; M398-I400 PolarHBondContact O-N 3.24Å; I400-F402 HydrophobicContact CB-CD2 4.32Å; I400-F402 HydrophobicContact CB-CE2 4.03Å; I400-F402 HydrophobicContact CG2-CD2 4.17Å; I400-F402 HydrophobicContact CG2-CE2 3.88Å; I400-F402 HydrophobicContact CG2-CZ 4.34Å; I400-F402 PolarHBondContact O-N 2.91Å; I400-L414 HydrophobicContact CD1-CD1 4.47Å
401	P	23.9	Very low	27.7	Very low	110 Å²	110	129.5 Å²	129.5	71%	0.714	67%	0.669	S	S	*	*			trans	-80.6	88.1	-176.1	32.1	-34.9	0	0	0	111.5	S399 K403	S399-P401 WeakPolarHBondContact O-CD 3.25Å; P401-K403 VanDerWaalsContact C-N 3.27Å; P401-K403 PolarHBondContact O-N 3.04Å
402	F	26.8	Very low	28.2	Very low	108 Å²	108	126.2 Å²	126.2	47%	0.474	66%	0.659	S	S	.	*			trans	-70.3	76.6	175.4	-81.5	-80.2	0	0	0	112.7	I400 Y410 Y411 L414	I400-F402 HydrophobicContact CB-CD2 4.32Å; I400-F402 HydrophobicContact CB-CE2 4.03Å; I400-F402 HydrophobicContact CG2-CD2 4.17Å; I400-F402 HydrophobicContact CG2-CE2 3.88Å; I400-F402 HydrophobicContact CG2-CZ 4.34Å; I400-F402 PolarHBondContact O-N 2.91Å; F402-Y410 HydrophobicContact CE1-CE1 4.15Å; F402-Y411 AromaticContact CE1-CE1 3.94Å; F402-Y411 HydrophobicContact CE1-CE1 3.94Å; F402-Y411 AromaticContact CE1-CZ 3.93Å; F402-Y411 HydrophobicContact CZ-CE1 4.49Å; F402-L414 HydrophobicContact CZ-CD2 4.17Å
403	K	26.5	Very low	28.9	Very low	183 Å²	183	121 Å²	121	80%	0.796	64%	0.635	S	S	*	*			trans	-77	128.5	159.3	-81.8	-174.3	174.2	178.5	0	109.7	P401 N405	P401-K403 VanDerWaalsContact C-N 3.27Å; P401-K403 PolarHBondContact O-N 3.04Å; K403-N405 PolarHBondContact O-N 3.4Å
404	S	27.9	Very low	29.3	Very low	115 Å²	115	114.3 Å²	114.3	80%	0.804	61%	0.608	S	S	*	*	S	Bend	trans	-71.4	92.4	-174	54.9	0	0	0	0	113.3
405	N	30.2	Very low	29.9	Very low	169 Å²	169	106.4 Å²	106.4	90%	0.904	58%	0.584	S	S	*	*			trans	-167.4	25.9	146.9	-104.2	-13.7	0	0	0	113.7	K403	K403-N405 PolarHBondContact O-N 3.4Å
406	Q	30.3	Very low	30.8	Very low	78 Å²	78	103.3 Å²	103.3	36%	0.364	57%	0.574	S	S	.	*			trans	-84.1	125.3	178.5	-77.8	169.1	-20.8	0	0	110.7	Y410	Q406-Y410 HydrophobicContact CB-CD1 3.79Å; Q406-Y410 HydrophobicContact CB-CD2 4.44Å; Q406-Y410 HydrophobicContact CB-CG 3.76Å; Q406-Y410 HydrophobicContact CG-CD1 4.17Å; Q406-Y410 HydrophobicContact CG-CD2 4.18Å; Q406-Y410 HydrophobicContact CG-CG 3.98Å
407	S	32.2	Very low	31.5	Very low	72 Å²	72	101.5 Å²	101.5	50%	0.503	55%	0.554	S	S	.	*			trans	-73.5	172.3	-171.3	68.4	0	0	0	0	113.2	N409 Y410 Y411	S407-N409 PolarHBondContact O-N 2.99Å; S407-N409 VanDerWaalsContact O-N 3.08Å; S407-N409 PolarHBondContact OG-N 3.36Å; S407-Y410 WeakPolarHBondContact O-CB 3.46Å; S407-Y410 PolarHBondContact O-N 3.24Å; S407-Y411 PolarHBondContact O-N 3.07Å
408	I	33.6	Very low	32	Very low	134 Å²	134	102.5 Å²	102.5	69%	0.687	55%	0.553	S	S	*	*	H	α-helix	trans	-53.2	-30.5	173	-68.6	171.5	0	0	0	111.7	Y410 Y411 L412	I408-Y410 VanDerWaalsContact C-N 3.3Å; I408-Y410 PolarHBondContact O-N 2.88Å; I408-Y411 PolarHBondContact O-N 3.35Å; I408-L412 HydrophobicContact CG2-CD1 3.97Å; I408-L412 HydrophobicContact CG2-CG 4.44Å; I408-L412 WeakPolarHBondContact O-CG 3.31Å; I408-L412 PolarHBondContact O-N 2.76Å
409	N	37.1	Very low	32.8	Very low	119 Å²	119	99.7 Å²	99.7	64%	0.636	54%	0.542	S	S	*	.	H	α-helix	trans	-67.7	-27.8	175.7	-63.3	-5.2	0	0	0	112.9	S407 S413	S407-N409 PolarHBondContact O-N 2.99Å; S407-N409 VanDerWaalsContact O-N 3.08Å; S407-N409 PolarHBondContact OG-N 3.36Å; N409-S413 WeakPolarHBondContact O-CB 3.31Å; N409-S413 PolarHBondContact O-N 2.9Å
410	Y	34.8	Very low	33.6	Very low	68 Å²	68	99.1 Å²	99.1	27%	0.267	53%	0.53	S	S	.	.	H	α-helix	trans	-71.2	-44.9	173.6	-177.6	-93.9	0	0	0	111.4	F402 Q406 S407 I408 L412 S413 L414	F402-Y410 HydrophobicContact CE1-CE1 4.15Å; Q406-Y410 HydrophobicContact CB-CD1 3.79Å; Q406-Y410 HydrophobicContact CB-CD2 4.44Å; Q406-Y410 HydrophobicContact CB-CG 3.76Å; Q406-Y410 HydrophobicContact CG-CD1 4.17Å; Q406-Y410 HydrophobicContact CG-CD2 4.18Å; Q406-Y410 HydrophobicContact CG-CG 3.98Å; S407-Y410 WeakPolarHBondContact O-CB 3.46Å; S407-Y410 PolarHBondContact O-N 3.24Å; I408-Y410 VanDerWaalsContact C-N 3.3Å; I408-Y410 PolarHBondContact O-N 2.88Å; Y410-L412 VanDerWaalsContact C-N 3.34Å; Y410-L412 PolarHBondContact O-N 2.93Å; Y410-S413 WeakPolarHBondContact O-CB 3.24Å; Y410-S413 PolarHBondContact O-N 3.35Å; Y410-L414 HydrophobicContact CE1-CD2 4.28Å; Y410-L414 WeakPolarHBondContact O-CB 3.46Å; Y410-L414 PolarHBondContact O-N 3.21Å
411	Y	34.7	Very low	34.3	Very low	132 Å²	132	100.3 Å²	100.3	52%	0.518	54%	0.54	S	S	.	.	H	α-helix	trans	-65.6	-36.8	176.2	-74.7	-82.8	0	0	0	112.5	F402 S407 I408 A415	F402-Y411 AromaticContact CE1-CE1 3.94Å; F402-Y411 HydrophobicContact CE1-CE1 3.94Å; F402-Y411 AromaticContact CE1-CZ 3.93Å; F402-Y411 HydrophobicContact CZ-CE1 4.49Å; S407-Y411 PolarHBondContact O-N 3.07Å; I408-Y411 PolarHBondContact O-N 3.35Å; Y411-A415 WeakPolarHBondContact O-CB 3.5Å; Y411-A415 PolarHBondContact O-N 3.4Å
412	L	37.8	Very low	34.8	Very low	105 Å²	105	99.9 Å²	99.9	55%	0.55	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-48	169.6	-74.2	167.7	0	0	0	111.3	I408 Y410 L414 A415 T416	I408-L412 HydrophobicContact CG2-CD1 3.97Å; I408-L412 HydrophobicContact CG2-CG 4.44Å; I408-L412 WeakPolarHBondContact O-CG 3.31Å; I408-L412 PolarHBondContact O-N 2.76Å; Y410-L412 VanDerWaalsContact C-N 3.34Å; Y410-L412 PolarHBondContact O-N 2.93Å; L412-L414 PolarHBondContact O-N 2.93Å; L412-A415 PolarHBondContact O-N 3.3Å; L412-T416 PolarHBondContact O-N 3.48Å; L412-T416 PolarHBondContact O-OG1 3.42Å
413	S	39.6	Very low	35.4	Very low	58 Å²	58	98.5 Å²	98.5	41%	0.406	53%	0.531	S	S	.	.	H	α-helix	trans	-58.6	-44.8	177.1	-175.5	0	0	0	0	112.4	N409 Y410 A415 T416 I417	N409-S413 WeakPolarHBondContact O-CB 3.31Å; N409-S413 PolarHBondContact O-N 2.9Å; Y410-S413 WeakPolarHBondContact O-CB 3.24Å; Y410-S413 PolarHBondContact O-N 3.35Å; S413-A415 PolarHBondContact O-N 2.82Å; S413-T416 WeakPolarHBondContact O-CB 3.47Å; S413-T416 PolarHBondContact O-N 3.44Å; S413-I417 WeakPolarHBondContact O-CB 3.48Å; S413-I417 VanDerWaalsContact O-CG1 3.27Å; S413-I417 WeakPolarHBondContact O-CG1 3.46Å; S413-I417 PolarHBondContact O-N 3.3Å
414	L	35	Very low	36	Very low	38 Å²	38	96.1 Å²	96.1	20%	0.199	52%	0.521	C	S	.	.	H	α-helix	trans	-64.5	-39.7	178.2	-166.7	70.3	0	0	0	111.3	I400 F402 Y410 L412 I417 M418	I400-L414 HydrophobicContact CD1-CD1 4.47Å; F402-L414 HydrophobicContact CZ-CD2 4.17Å; Y410-L414 HydrophobicContact CE1-CD2 4.28Å; Y410-L414 WeakPolarHBondContact O-CB 3.46Å; Y410-L414 PolarHBondContact O-N 3.21Å; L412-L414 PolarHBondContact O-N 2.93Å; L414-I417 PolarHBondContact O-N 2.66Å; L414-M418 WeakPolarHBondContact O-CB 3.45Å; L414-M418 VanDerWaalsContact O-CG 3.3Å; L414-M418 WeakPolarHBondContact O-CG 3.47Å; L414-M418 PolarHBondContact O-N 2.65Å
415	A	37.1	Very low	36.4	Very low	54 Å²	54	97.6 Å²	97.6	45%	0.446	51%	0.513	S	S	.	.	H	α-helix	trans	-64.5	-40	172.8	0	0	0	0	0	112.2	Y411 L412 S413 N419	Y411-A415 WeakPolarHBondContact O-CB 3.5Å; Y411-A415 PolarHBondContact O-N 3.4Å; L412-A415 PolarHBondContact O-N 3.3Å; S413-A415 PolarHBondContact O-N 2.82Å; A415-N419 WeakPolarHBondContact O-CB 3.38Å; A415-N419 PolarHBondContact O-N 2.76Å
416	T	41.8	Very low	36.6	Very low	76 Å²	76	93.9 Å²	93.9	47%	0.466	49%	0.493	S	S	.	.	H	α-helix	trans	-63.2	-48.3	173.3	-45.7	0	0	0	0	111	L412 S413 M418 N419 D420	L412-T416 PolarHBondContact O-N 3.48Å; L412-T416 PolarHBondContact O-OG1 3.42Å; S413-T416 WeakPolarHBondContact O-CB 3.47Å; S413-T416 PolarHBondContact O-N 3.44Å; T416-M418 VanDerWaalsContact C-N 3.34Å; T416-M418 PolarHBondContact O-N 3.12Å; T416-N419 CarbonylContact O-C 3.59Å; T416-N419 WeakPolarHBondContact O-CA 3.32Å; T416-N419 WeakPolarHBondContact O-CB 3.49Å; T416-N419 PolarHBondContact O-N 2.95Å; T416-N419 VanDerWaalsContact O-N 3.12Å; T416-D420 VanDerWaalsContact O-CG 3.32Å; T416-D420 PolarHBondContact O-N 3.44Å
417	I	38.1	Very low	36.9	Very low	87 Å²	87	92.6 Å²	92.6	45%	0.446	49%	0.49	S	S	.	.	H	α-helix	trans	-62.3	-40.2	179.5	-68.7	163.2	0	0	0	111.2	S413 L414 D420 V421	S413-I417 WeakPolarHBondContact O-CB 3.48Å; S413-I417 VanDerWaalsContact O-CG1 3.27Å; S413-I417 WeakPolarHBondContact O-CG1 3.46Å; S413-I417 PolarHBondContact O-N 3.3Å; L414-I417 PolarHBondContact O-N 2.66Å; I417-D420 PolarHBondContact O-N 3.42Å; I417-V421 HydrophobicContact CG2-CG2 4.43Å; I417-V421 WeakPolarHBondContact O-CB 3.36Å; I417-V421 VanDerWaalsContact O-CG2 3.28Å; I417-V421 WeakPolarHBondContact O-CG2 3.48Å; I417-V421 PolarHBondContact O-N 3.08Å
418	M	34.4	Very low	37.1	Very low	115 Å²	115	93.4 Å²	93.4	57%	0.567	49%	0.489	S	S	*	.	H	α-helix	trans	-65.7	-40.5	174.3	-73.4	-178.1	72.4	0	0	111.7	L414 T416 L422	L414-M418 WeakPolarHBondContact O-CB 3.45Å; L414-M418 VanDerWaalsContact O-CG 3.3Å; L414-M418 WeakPolarHBondContact O-CG 3.47Å; L414-M418 PolarHBondContact O-N 2.65Å; T416-M418 VanDerWaalsContact C-N 3.34Å; T416-M418 PolarHBondContact O-N 3.12Å; M418-L422 WeakPolarHBondContact O-CB 3.42Å; M418-L422 VanDerWaalsContact O-CG 3.27Å; M418-L422 WeakPolarHBondContact O-CG 3.29Å; M418-L422 PolarHBondContact O-N 3.09Å
419	N	38.1	Very low	37.2	Very low	104 Å²	104	91.3 Å²	91.3	56%	0.556	48%	0.482	S	S	*	.	H	α-helix	trans	-62.5	-43.6	171.7	-103.2	4.5	0	0	0	112.1	A415 T416 L422 T423	A415-N419 WeakPolarHBondContact O-CB 3.38Å; A415-N419 PolarHBondContact O-N 2.76Å; T416-N419 CarbonylContact O-C 3.59Å; T416-N419 WeakPolarHBondContact O-CA 3.32Å; T416-N419 WeakPolarHBondContact O-CB 3.49Å; T416-N419 PolarHBondContact O-N 2.95Å; T416-N419 VanDerWaalsContact O-N 3.12Å; N419-L422 PolarHBondContact O-N 3Å; N419-T423 WeakPolarHBondContact O-CB 3.46Å; N419-T423 PolarHBondContact O-N 3.39Å; N419-T423 PolarHBondContact O-OG1 2.88Å
420	D	41.4	Very low	36.8	Very low	98 Å²	98	92.4 Å²	92.4	52%	0.524	48%	0.479	S	S	.	.	H	α-helix	trans	-66.6	-39.9	-179.8	-70.5	-24.1	0	0	0	111.1	T416 I417 K424	T416-D420 VanDerWaalsContact O-CG 3.32Å; T416-D420 PolarHBondContact O-N 3.44Å; I417-D420 PolarHBondContact O-N 3.42Å; D420-K424 WeakPolarHBondContact O-CB 3.34Å; D420-K424 PolarHBondContact O-N 2.85Å
421	V	38.2	Very low	36.9	Very low	84 Å²	84	94.8 Å²	94.8	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-68.3	-40.3	175.3	170	0	0	0	0	111.9	I417 K425	I417-V421 HydrophobicContact CG2-CG2 4.43Å; I417-V421 WeakPolarHBondContact O-CB 3.36Å; I417-V421 VanDerWaalsContact O-CG2 3.28Å; I417-V421 WeakPolarHBondContact O-CG2 3.48Å; I417-V421 PolarHBondContact O-N 3.08Å; V421-K425 WeakPolarHBondContact O-CB 3.48Å; V421-K425 PolarHBondContact O-N 3.1Å
422	L	35.5	Very low	36.7	Very low	101 Å²	101	94.2 Å²	94.2	53%	0.529	50%	0.5	S	S	.	.	H	α-helix	trans	-68.2	-45.8	175.2	-75.4	167.5	0	0	0	111.7	M418 N419 K424 K425 L426	M418-L422 WeakPolarHBondContact O-CB 3.42Å; M418-L422 VanDerWaalsContact O-CG 3.27Å; M418-L422 WeakPolarHBondContact O-CG 3.29Å; M418-L422 PolarHBondContact O-N 3.09Å; N419-L422 PolarHBondContact O-N 3Å; L422-K424 PolarHBondContact O-N 2.82Å; L422-K425 PolarHBondContact O-N 2.68Å; L422-L426 WeakPolarHBondContact O-CG 3.46Å; L422-L426 PolarHBondContact O-N 2.87Å
423	T	39.7	Very low	36.2	Very low	78 Å²	78	94 Å²	94	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-62.9	-43.2	177.4	-55	0	0	0	0	110.5	N419 L426 T427	N419-T423 WeakPolarHBondContact O-CB 3.46Å; N419-T423 PolarHBondContact O-N 3.39Å; N419-T423 PolarHBondContact O-OG1 2.88Å; T423-L426 WeakPolarHBondContact O-CB 3.41Å; T423-L426 PolarHBondContact O-N 3Å; T423-T427 PolarHBondContact O-N 3.05Å; T423-T427 PolarHBondContact O-OG1 2.8Å
424	K	39.7	Very low	35.5	Very low	134 Å²	134	96 Å²	96	58%	0.583	52%	0.522	S	S	*	.	H	α-helix	trans	-66.3	-40.4	176.9	-172.7	169.1	-176.4	-179.9	0	112.3	D420 L422 L426 T427 D428	D420-K424 WeakPolarHBondContact O-CB 3.34Å; D420-K424 PolarHBondContact O-N 2.85Å; L422-K424 PolarHBondContact O-N 2.82Å; K424-L426 VanDerWaalsContact C-N 3.31Å; K424-L426 PolarHBondContact O-N 3.09Å; K424-T427 WeakPolarHBondContact CA-OG1 3.33Å; K424-T427 PolarHBondContact O-N 2.84Å; K424-T427 PolarHBondContact O-OG1 3.39Å; K424-D428 WeakPolarHBondContact CE-OD2 3.23Å; K424-D428 WeakPolarHBondContact CG-OD2 3.27Å; K424-D428 WeakPolarHBondContact O-CB 3.42Å; K424-D428 PolarHBondContact O-N 3.07Å
425	K	34.6	Very low	35.2	Very low	145 Å²	145	104 Å²	104	63%	0.63	56%	0.555	S	S	*	*	H	α-helix	trans	-61.1	-39.3	170.4	-83.7	-169.1	171.2	-171.1	0	112.3	V421 L422 T429	V421-K425 WeakPolarHBondContact O-CB 3.48Å; V421-K425 PolarHBondContact O-N 3.1Å; L422-K425 PolarHBondContact O-N 2.68Å; K425-T429 VanDerWaalsContact O-CB 3.22Å; K425-T429 WeakPolarHBondContact O-CB 3.35Å; K425-T429 PolarHBondContact O-N 3.11Å; K425-T429 PolarHBondContact O-OG1 2.91Å
426	L	34.6	Very low	34.7	Very low	92 Å²	92	111.5 Å²	111.5	48%	0.482	57%	0.573	S	S	.	*	H	α-helix	trans	-65.6	-44.8	176.2	-78.1	161.6	0	0	0	112	L422 T423 K424 Y430	L422-L426 WeakPolarHBondContact O-CG 3.46Å; L422-L426 PolarHBondContact O-N 2.87Å; T423-L426 WeakPolarHBondContact O-CB 3.41Å; T423-L426 PolarHBondContact O-N 3Å; K424-L426 VanDerWaalsContact C-N 3.31Å; K424-L426 PolarHBondContact O-N 3.09Å; L426-Y430 HydrophobicContact CD2-CD2 4.32Å; L426-Y430 WeakPolarHBondContact O-CB 3.22Å; L426-Y430 PolarHBondContact O-N 3.21Å
427	T	36.7	Very low	34	Very low	51 Å²	51	113.8 Å²	113.8	31%	0.313	59%	0.59	S	S	.	*	H	α-helix	trans	-64.6	-45.5	175.3	55.3	0	0	0	0	112.1	T423 K424 T429 I431	T423-T427 PolarHBondContact O-N 3.05Å; T423-T427 PolarHBondContact O-OG1 2.8Å; K424-T427 WeakPolarHBondContact CA-OG1 3.33Å; K424-T427 PolarHBondContact O-N 2.84Å; K424-T427 PolarHBondContact O-OG1 3.39Å; T427-T429 VanDerWaalsContact C-N 3.31Å; T427-T429 PolarHBondContact O-N 3.34Å; T427-I431 HydrophobicContact CG2-CD1 4.14Å; T427-I431 WeakPolarHBondContact O-CB 3.4Å; T427-I431 PolarHBondContact O-N 3.11Å
428	D	36.2	Very low	33.3	Very low	89 Å²	89	113.3 Å²	113.3	48%	0.476	59%	0.594	S	S	.	*	H	α-helix	trans	-70.5	-28.5	-175.1	-65.4	-7	0	0	0	111.8	K424	K424-D428 WeakPolarHBondContact CE-OD2 3.23Å; K424-D428 WeakPolarHBondContact CG-OD2 3.27Å; K424-D428 WeakPolarHBondContact O-CB 3.42Å; K424-D428 PolarHBondContact O-N 3.07Å
429	T	35.7	Very low	33.1	Very low	90 Å²	90	117.1 Å²	117.1	55%	0.552	61%	0.61	S	S	*	*	H	α-helix	trans	-88.5	-34.7	179	-46.5	0	0	0	0	113.6	K425 T427	K425-T429 VanDerWaalsContact O-CB 3.22Å; K425-T429 WeakPolarHBondContact O-CB 3.35Å; K425-T429 PolarHBondContact O-N 3.11Å; K425-T429 PolarHBondContact O-OG1 2.91Å; T427-T429 VanDerWaalsContact C-N 3.31Å; T427-T429 PolarHBondContact O-N 3.34Å
430	Y	30.4	Very low	32.4	Very low	142 Å²	142	118.2 Å²	118.2	56%	0.557	62%	0.615	S	S	*	*	H	α-helix	trans	-119.4	-8.9	-168.2	-74	-78	0	0	0	116.5	L426	L426-Y430 HydrophobicContact CD2-CD2 4.32Å; L426-Y430 WeakPolarHBondContact O-CB 3.22Å; L426-Y430 PolarHBondContact O-N 3.21Å
431	I	35.5	Very low	31.6	Very low	118 Å²	118	121.4 Å²	121.4	61%	0.605	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	-16.9	-176.6	-71.3	169.8	0	0	0	113.2	T427	T427-I431 HydrophobicContact CG2-CD1 4.14Å; T427-I431 WeakPolarHBondContact O-CB 3.4Å; T427-I431 PolarHBondContact O-N 3.11Å
432	N	30.2	Very low	31.1	Very low	119 Å²	119	124.8 Å²	124.8	64%	0.636	64%	0.636	S	S	*	*	S	Bend	trans	-97.2	3.3	-177.5	-74.9	-38.9	0	0	0	115.7	S434	N432-S434 VanDerWaalsContact C-N 3.33Å; N432-S434 PolarHBondContact O-N 2.91Å
433	S	28.5	Very low	30.8	Very low	101 Å²	101	130.3 Å²	130.3	71%	0.706	65%	0.652	S	S	*	*			trans	-90.6	32.1	-174.9	48.7	0	0	0	0	114.8
434	S	25.1	Very low	30	Very low	101 Å²	101	135 Å²	135	71%	0.706	67%	0.668	S	S	*	*			trans	-111.8	65.6	-174.5	50.3	0	0	0	0	113.8	N432	N432-S434 VanDerWaalsContact C-N 3.33Å; N432-S434 PolarHBondContact O-N 2.91Å
435	K	28.8	Very low	29.2	Very low	204 Å²	204	134.2 Å²	134.2	89%	0.887	68%	0.675	S	S	*	*			trans	-131.7	104.2	166	-74	-170.2	176	-178	0	112
436	Y	25.2	Very low	28.9	Very low	212 Å²	212	135.3 Å²	135.3	83%	0.831	68%	0.682	S	S	*	*			trans	-61.6	160.7	162.4	-87.6	-87.4	0	0	0	110.8
437	P	26.7	Very low	28.8	Very low	125 Å²	125	138.7 Å²	138.7	81%	0.812	70%	0.699	S	S	*	*				-119.6	155.8	88.3	-4.2	24.8	0	0	0	114.9
438	S	23.5	Very low	28.2	Very low	77 Å²	77	144.7 Å²	144.7	54%	0.538	72%	0.721	S	S	.	*			trans	-67.2	150.7	166.6	49.9	0	0	0	0	113.4
439	H	30	Very low	27.7	Very low	195 Å²	195	147.3 Å²	147.3	90%	0.903	74%	0.735	S	S	*	*			trans	-145.9	165.8	130.5	-106.3	-74.9	0	0	0	109.9
440	I	25.2	Very low	27.4	Very low	126 Å²	126	151 Å²	151	65%	0.646	75%	0.746	S	S	*	*			trans	-135.5	153.7	-151.2	-73.9	172.6	0	0	0	110.7
441	E	24.4	Very low	27.3	Very low	165 Å²	165	153.8 Å²	153.8	77%	0.771	76%	0.757	S	S	*	*			trans	82	156.1	156.3	-91.2	152.9	-155.5	0	0	123.7
442	H	26.9	Very low	26.9	Very low	155 Å²	155	154.1 Å²	154.1	72%	0.718	76%	0.76	S	S	*	*			trans	86.3	149.3	160.7	-76.5	-66.1	0	0	0	122.6
443	Y	28.4	Very low	26.7	Very low	217 Å²	217	153.9 Å²	153.9	85%	0.851	77%	0.765	S	S	*	*			trans	75	72.6	178.4	-58.4	-71.2	0	0	0	118.6
444	Q	23	Very low	26.7	Very low	176 Å²	176	156.6 Å²	156.6	82%	0.822	77%	0.771	S	S	*	*			trans	-74.8	173.2	135.8	-69.5	-176.8	-39.9	0	0	110.9
445	T	24.2	Very low	26.7	Very low	118 Å²	118	158.3 Å²	158.3	72%	0.724	77%	0.772	S	S	*	*			trans	77.2	154	171.5	78	0	0	0	0	117.8
446	H	28.1	Very low	26.7	Very low	169 Å²	169	156.2 Å²	156.2	78%	0.782	77%	0.769	S	S	*	*			trans	68.5	125.9	-169.4	-56.4	-84.7	0	0	0	114.4
447	L	31.2	Very low	26.8	Very low	162 Å²	162	154.5 Å²	154.5	85%	0.848	77%	0.771	S	S	*	*			cis	-128.2	164.6	-1.8	-73.7	100	0	0	0	112.3
448	K	24.2	Very low	26.8	Very low	177 Å²	177	154.9 Å²	154.9	77%	0.77	77%	0.766	S	S	*	*			trans	-97.3	166.2	157.3	-76.6	-175.6	171.4	-175.1	0	109.3
449	D	25.9	Very low	26.9	Very low	144 Å²	144	156.5 Å²	156.5	77%	0.77	78%	0.775	S	S	*	*			trans	68.7	133.3	168	-42.1	-46.9	0	0	0	111.3
450	E	29.8	Very low	26.8	Very low	169 Å²	169	153.7 Å²	153.7	79%	0.79	77%	0.765	S	S	*	*				-154.4	171.8	53.9	-82.2	-170.8	131.3	0	0	113.8
451	Y	27.9	Very low	26.7	Very low	199 Å²	199	155.7 Å²	155.7	78%	0.78	78%	0.777	S	S	*	*			trans	-3.3	152.6	158.7	-56.5	-81.5	0	0	0	120.5
452	N	27.2	Very low	26.8	Very low	125 Å²	125	155.6 Å²	155.6	67%	0.668	78%	0.777	S	S	*	*			cis	-164.9	143.6	23.2	-140.9	-5.8	0	0	0	112.9
453	P	26.1	Very low	26.7	Very low	115 Å²	115	157.3 Å²	157.3	75%	0.747	78%	0.782	S	S	*	*			trans	-106.9	119.6	169	34.9	-26	0	0	0	113.7
454	L	28.9	Very low	26.6	Very low	157 Å²	157	154.2 Å²	154.2	82%	0.822	78%	0.78	S	S	*	*			trans	-120.5	119.4	170.1	-77.5	155.6	0	0	0	108.1
455	N	26	Very low	26.7	Very low	137 Å²	137	154.1 Å²	154.1	73%	0.733	78%	0.78	S	S	*	*			cis	93.6	57.7	19.3	-159.3	31.1	0	0	0	116.9
456	I	28.7	Very low	26.9	Very low	160 Å²	160	155.8 Å²	155.8	82%	0.821	78%	0.783	S	S	*	*			trans	-146.9	130.9	155.8	-55.1	-178.8	0	0	0	105.5
457	M	26.6	Very low	26.8	Very low	177 Å²	177	156.3 Å²	156.3	87%	0.872	78%	0.783	S	S	*	*			cis	-137.4	129.9	-0.4	-135.3	167.5	-177.3	0	0	110.1
458	N	25.7	Very low	26.5	Very low	132 Å²	132	155.4 Å²	155.4	71%	0.706	78%	0.779	S	S	*	*			trans	-86.4	170.1	152.4	-128.1	-0.6	0	0	0	107
459	P	27.5	Very low	26.6	Very low	112 Å²	112	154.7 Å²	154.7	73%	0.727	78%	0.783	S	S	*	*				-152.4	-163	55.3	39.9	-15	0	0	0	112.6
460	I	27.3	Very low	26.5	Very low	135 Å²	135	153.5 Å²	153.5	69%	0.692	79%	0.785	S	S	*	*			cis	-128.7	138.3	-1.8	-55.8	164.9	0	0	0	106.5	E462	I460-E462 HydrophobicContact CG2-CB 4.21Å
461	N	23.6	Very low	26.4	Very low	168 Å²	168	152.3 Å²	152.3	90%	0.898	78%	0.783	S	S	*	*			trans	-133.1	52.9	168.4	-162.3	25.2	0	0	0	110.2
462	E	25.2	Very low	26.4	Very low	164 Å²	164	149.9 Å²	149.9	77%	0.766	78%	0.777	S	S	*	*			trans	-155.2	91	-169.8	-149.3	168.4	-124.2	0	0	108.7	I460	I460-E462 HydrophobicContact CG2-CB 4.21Å
463	F	26.1	Very low	26.6	Very low	190 Å²	190	148 Å²	148	83%	0.833	77%	0.773	S	S	*	*			trans	-162.3	96.1	146.5	-105.6	-67.3	0	0	0	108.2
464	N	26.2	Very low	26.9	Very low	152 Å²	152	147.7 Å²	147.7	81%	0.813	76%	0.762	S	S	*	*			trans	-73.1	156.1	150.3	-76.7	-54.8	0	0	0	107.9
465	E	25.5	Very low	27	Very low	175 Å²	175	149.2 Å²	149.2	82%	0.818	76%	0.758	S	S	*	*			trans	73.4	158.7	178.1	-45.4	-164.1	129.6	0	0	115.8
466	I	27.2	Very low	27.3	Very low	153 Å²	153	149.3 Å²	149.3	79%	0.785	76%	0.757	S	S	*	*			trans	60.5	76.9	-172.9	-45	178.1	0	0	0	112.4
467	K	25.8	Very low	27.6	Very low	179 Å²	179	147.8 Å²	147.8	78%	0.778	74%	0.744	S	S	*	*				52.3	130.1	82.8	-70.1	-168.5	173.8	-177.4	0	115.6
468	D	24.8	Very low	28	Very low	144 Å²	144	145 Å²	145	77%	0.77	73%	0.729	S	S	*	*			trans	56.3	86.8	152.7	-51.2	-33.5	0	0	0	118.2
469	L	26.5	Very low	28.2	Very low	162 Å²	162	147.7 Å²	147.7	85%	0.848	73%	0.731	S	S	*	*			trans	-159.2	110.5	135.2	-109.4	163.5	0	0	0	111.4
470	S	24.8	Very low	28.6	Very low	118 Å²	118	144.5 Å²	144.5	83%	0.825	71%	0.711	S	S	*	*			trans	-86.1	111.9	-175.2	56	0	0	0	0	112.4
471	I	27.7	Very low	29	Very low	145 Å²	145	142.2 Å²	142.2	74%	0.744	70%	0.7	S	S	*	*			trans	-119.7	97.2	175.2	-57.8	-174.4	0	0	0	111.8
472	K	27.1	Very low	29.6	Very low	148 Å²	148	138.5 Å²	138.5	64%	0.643	68%	0.679	S	S	*	*			trans	57.4	114.7	150	-67.4	175.2	149.4	-116.7	0	119.9	E474	K472-E474 WeakPolarHBondContact CD-OE2 3.39Å; K472-E474 IonicContact NZ-OE2 2.77Å; K472-E474 PolarHBondContact NZ-OE2 3.03Å; K472-E474 PolarHBondContact O-N 2.92Å
473	S	30.6	Very low	29.9	Very low	85 Å²	85	137.3 Å²	137.3	59%	0.594	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	26.9	175.5	53.4	0	0	0	0	115.4
474	E	32.9	Very low	30.4	Very low	109 Å²	109	133.7 Å²	133.7	51%	0.509	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.9	-46.8	-170.8	-64.8	176.4	120.1	0	0	111.4	K472 I476 K477 E478	K472-E474 WeakPolarHBondContact CD-OE2 3.39Å; K472-E474 IonicContact NZ-OE2 2.77Å; K472-E474 PolarHBondContact NZ-OE2 3.03Å; K472-E474 PolarHBondContact O-N 2.92Å; E474-I476 VanDerWaalsContact C-N 3.31Å; E474-I476 PolarHBondContact O-N 3.33Å; E474-K477 WeakPolarHBondContact O-CB 3.44Å; E474-K477 PolarHBondContact O-N 2.83Å; E474-E478 PolarHBondContact O-N 3.01Å
475	Y	30.8	Very low	30.6	Very low	188 Å²	188	133.7 Å²	133.7	74%	0.737	65%	0.653	S	S	*	*	H	α-helix	trans	-63.9	-29.3	178.4	-76.9	-73.5	0	0	0	114.8	K477 E478	Y475-K477 VanDerWaalsContact C-N 3.34Å; Y475-E478 PolarHBondContact O-N 2.78Å
476	I	32.6	Very low	31	Very low	139 Å²	139	133.7 Å²	133.7	71%	0.713	65%	0.647	S	S	*	*	H	α-helix	trans	-73.4	-28.2	175.7	-62.8	175.8	0	0	0	111.2	E474 S480	E474-I476 VanDerWaalsContact C-N 3.31Å; E474-I476 PolarHBondContact O-N 3.33Å; I476-S480 WeakPolarHBondContact O-CB 3.47Å; I476-S480 PolarHBondContact O-N 3.33Å
477	K	34.7	Very low	31.3	Very low	129 Å²	129	131.3 Å²	131.3	56%	0.561	64%	0.639	S	S	*	*	H	α-helix	trans	-68.8	-37.3	173.1	-74.1	176.4	177.9	176.5	0	111.5	E474 Y475 S480 N481	E474-K477 WeakPolarHBondContact O-CB 3.44Å; E474-K477 PolarHBondContact O-N 2.83Å; Y475-K477 VanDerWaalsContact C-N 3.34Å; K477-S480 PolarHBondContact O-N 2.67Å; K477-N481 VanDerWaalsContact O-CB 3.29Å; K477-N481 WeakPolarHBondContact O-CB 3.4Å; K477-N481 PolarHBondContact O-N 2.76Å; K477-N481 PolarHBondContact O-ND2 2.68Å; K477-N481 PolarHBondContact O-OD1 3.49Å
478	E	34.6	Very low	31.7	Very low	117 Å²	117	129.1 Å²	129.1	55%	0.547	63%	0.629	S	S	.	*	H	α-helix	trans	-62.9	-49.9	-178.7	-162.5	161.5	-130.8	0	0	111.8	E474 Y475 S480 N481 I482	E474-E478 PolarHBondContact O-N 3.01Å; Y475-E478 PolarHBondContact O-N 2.78Å; E478-S480 VanDerWaalsContact C-N 3.33Å; E478-S480 PolarHBondContact O-N 3.06Å; E478-N481 PolarHBondContact O-N 2.61Å; E478-N481 VanDerWaalsContact O-N 3.14Å; E478-I482 WeakPolarHBondContact O-CG1 3.42Å; E478-I482 PolarHBondContact O-N 2.98Å
479	Y	31.8	Very low	32	Very low	189 Å²	189	131.1 Å²	131.1	74%	0.741	63%	0.631	S	S	*	*	H	α-helix	trans	-63	-35.9	173.7	-116.5	-90.5	0	0	0	113.2	M483	Y479-M483 PolarHBondContact O-N 3.42Å
480	S	34	Very low	32.2	Very low	46 Å²	46	127.5 Å²	127.5	32%	0.322	62%	0.62	S	S	.	*	H	α-helix	trans	-66	-37.6	173.6	-168.8	0	0	0	0	112.2	I476 K477 E478 K484	I476-S480 WeakPolarHBondContact O-CB 3.47Å; I476-S480 PolarHBondContact O-N 3.33Å; K477-S480 PolarHBondContact O-N 2.67Å; E478-S480 VanDerWaalsContact C-N 3.33Å; E478-S480 PolarHBondContact O-N 3.06Å; S480-K484 WeakPolarHBondContact O-CB 3.21Å; S480-K484 WeakPolarHBondContact O-CD 3.45Å; S480-K484 VanDerWaalsContact O-CG 3.29Å; S480-K484 WeakPolarHBondContact O-CG 3.38Å; S480-K484 PolarHBondContact O-N 3.18Å; S480-K484 PolarHBondContact OG-NZ 2.68Å
481	N	36	Very low	32.4	Very low	86 Å²	86	126.3 Å²	126.3	46%	0.46	60%	0.604	S	S	.	*	H	α-helix	trans	-72	-37.1	-179.9	-72.8	-11.6	0	0	0	111.7	K477 E478 K484 F485	K477-N481 VanDerWaalsContact O-CB 3.29Å; K477-N481 WeakPolarHBondContact O-CB 3.4Å; K477-N481 PolarHBondContact O-N 2.76Å; K477-N481 PolarHBondContact O-ND2 2.68Å; K477-N481 PolarHBondContact O-OD1 3.49Å; E478-N481 PolarHBondContact O-N 2.61Å; E478-N481 VanDerWaalsContact O-N 3.14Å; N481-K484 PolarHBondContact O-N 3.21Å; N481-F485 PolarHBondContact O-N 2.88Å
482	I	36.8	Very low	32.4	Very low	90 Å²	90	126.6 Å²	126.6	46%	0.462	60%	0.602	S	S	.	*	H	α-helix	trans	-60.9	-49.6	173.1	-67	164.8	0	0	0	110.3	E478 K484 F485 Y486	E478-I482 WeakPolarHBondContact O-CG1 3.42Å; E478-I482 PolarHBondContact O-N 2.98Å; I482-K484 VanDerWaalsContact C-N 3.29Å; I482-K484 PolarHBondContact O-N 3.21Å; I482-F485 WeakPolarHBondContact O-CB 3.12Å; I482-F485 PolarHBondContact O-N 3.48Å; I482-F485 VanDerWaalsContact O-N 3.13Å; I482-Y486 HydrophobicContact CG2-CD2 4.43Å; I482-Y486 HydrophobicContact CG2-CE2 4.21Å; I482-Y486 WeakPolarHBondContact O-CD2 3.46Å; I482-Y486 PolarHBondContact O-N 3.04Å
483	M	32	Very low	32.4	Very low	139 Å²	139	130 Å²	130	69%	0.685	62%	0.617	S	S	*	*	H	α-helix	trans	-60.1	-35.9	174.5	-92.6	-70.2	-166.3	0	0	113.3	Y479 T487	Y479-M483 PolarHBondContact O-N 3.42Å; M483-T487 PolarHBondContact O-N 3.38Å; M483-T487 PolarHBondContact O-OG1 3.22Å
484	K	36.3	Very low	32.3	Very low	115 Å²	115	131.2 Å²	131.2	50%	0.5	63%	0.626	S	S	.	*	H	α-helix	trans	-70.5	-33.2	174.6	-76.4	164.1	180	154.7	0	112.9	S480 N481 I482 Y486 T487 K488	S480-K484 WeakPolarHBondContact O-CB 3.21Å; S480-K484 WeakPolarHBondContact O-CD 3.45Å; S480-K484 VanDerWaalsContact O-CG 3.29Å; S480-K484 WeakPolarHBondContact O-CG 3.38Å; S480-K484 PolarHBondContact O-N 3.18Å; S480-K484 PolarHBondContact OG-NZ 2.68Å; N481-K484 PolarHBondContact O-N 3.21Å; I482-K484 VanDerWaalsContact C-N 3.29Å; I482-K484 PolarHBondContact O-N 3.21Å; K484-Y486 VanDerWaalsContact C-N 3.33Å; K484-Y486 PolarHBondContact O-N 3.49Å; K484-T487 WeakPolarHBondContact CA-OG1 3.33Å; K484-T487 PolarHBondContact O-N 3.35Å; K484-T487 VanDerWaalsContact O-N 3.16Å; K484-T487 PolarHBondContact O-OG1 2.92Å; K484-K488 WeakPolarHBondContact O-CB 3.49Å; K484-K488 PolarHBondContact O-N 3.14Å
485	F	31.1	Very low	32.1	Very low	152 Å²	152	131.5 Å²	131.5	67%	0.667	64%	0.637	S	S	*	*	H	α-helix	trans	-62.6	-39.1	176.1	-111	-87.3	0	0	0	112.4	N481 I482 T487	N481-F485 PolarHBondContact O-N 2.88Å; I482-F485 WeakPolarHBondContact O-CB 3.12Å; I482-F485 PolarHBondContact O-N 3.48Å; I482-F485 VanDerWaalsContact O-N 3.13Å; F485-T487 VanDerWaalsContact C-N 3.3Å; F485-T487 PolarHBondContact O-N 2.9Å
486	Y	32.5	Very low	31.9	Very low	175 Å²	175	129.2 Å²	129.2	69%	0.686	64%	0.637	S	S	*	*	H	α-helix	trans	-71.5	-20.6	175.1	-77	-77.3	0	0	0	114	I482 K484	I482-Y486 HydrophobicContact CG2-CD2 4.43Å; I482-Y486 HydrophobicContact CG2-CE2 4.21Å; I482-Y486 WeakPolarHBondContact O-CD2 3.46Å; I482-Y486 PolarHBondContact O-N 3.04Å; K484-Y486 VanDerWaalsContact C-N 3.33Å; K484-Y486 PolarHBondContact O-N 3.49Å
487	T	33.8	Very low	31.6	Very low	102 Å²	102	128.7 Å²	128.7	63%	0.626	64%	0.636	S	S	*	*	H	α-helix	trans	-99.3	-17.6	178.7	39.5	0	0	0	0	114.3	M483 K484 F485	M483-T487 PolarHBondContact O-N 3.38Å; M483-T487 PolarHBondContact O-OG1 3.22Å; K484-T487 WeakPolarHBondContact CA-OG1 3.33Å; K484-T487 PolarHBondContact O-N 3.35Å; K484-T487 VanDerWaalsContact O-N 3.16Å; K484-T487 PolarHBondContact O-OG1 2.92Å; F485-T487 VanDerWaalsContact C-N 3.3Å; F485-T487 PolarHBondContact O-N 2.9Å
488	K	33.6	Very low	31.2	Very low	133 Å²	133	129.5 Å²	129.5	58%	0.578	64%	0.641	S	S	*	*	H	α-helix	trans	-98.7	-0.2	-178.2	-141.2	-177	-173.5	-92.1	0	115.8	K484 S490 E492	K484-K488 WeakPolarHBondContact O-CB 3.49Å; K484-K488 PolarHBondContact O-N 3.14Å; K488-S490 PolarHBondContact O-N 2.88Å; K488-E492 IonicContact NZ-OE1 2.7Å; K488-E492 PolarHBondContact NZ-OE1 3.18Å; K488-E492 IonicContact NZ-OE2 2.83Å; K488-E492 PolarHBondContact NZ-OE2 3.13Å
489	K	32.2	Very low	31	Very low	187 Å²	187	133 Å²	133	81%	0.813	65%	0.651	S	S	*	*	S	Bend	trans	-93	18.5	-177.9	-137.8	174.9	-173.4	179.3	0	115
490	S	30.2	Very low	30.9	Very low	86 Å²	86	130.8 Å²	130.8	60%	0.601	65%	0.647	S	S	*	*	S	Bend	trans	-142	17.3	-171.2	56.3	0	0	0	0	116.1	K488	K488-S490 PolarHBondContact O-N 2.88Å
491	N	28.5	Very low	30.7	Very low	92 Å²	92	135.6 Å²	135.6	49%	0.492	67%	0.665	S	S	.	*			trans	-156.1	121.3	154.2	-62.4	-76	0	0	0	108.9	K591	N491-K591 PolarHBondContact OD1-NZ 3Å
492	E	29.2	Very low	30.3	Very low	151 Å²	151	138 Å²	138	71%	0.706	68%	0.678	S	S	*	*			trans	178.8	107.1	149.9	-103.9	153	-151.3	0	0	108.3	K488	K488-E492 IonicContact NZ-OE1 2.7Å; K488-E492 PolarHBondContact NZ-OE1 3.18Å; K488-E492 IonicContact NZ-OE2 2.83Å; K488-E492 PolarHBondContact NZ-OE2 3.13Å
493	F	26.9	Very low	30.1	Very low	219 Å²	219	139 Å²	139	96%	0.961	69%	0.693	S	S	*	*			trans	-143.1	73.8	177.2	-139.2	-59.4	0	0	0	109
494	S	27.6	Very low	30	Very low	111 Å²	111	140 Å²	140	78%	0.776	70%	0.697	S	S	*	*			trans	-160.8	152.3	166.4	46.4	0	0	0	0	110.5
495	P	29.3	Very low	29.8	Very low	115 Å²	115	141.4 Å²	141.4	75%	0.747	71%	0.706	S	S	*	*			trans	-115.9	-165.5	-169.6	34.7	-16.3	0	0	0	113.4
496	L	26.8	Very low	30	Very low	141 Å²	141	140.1 Å²	140.1	74%	0.738	71%	0.71	S	S	*	*			trans	87.8	107.5	175.1	-80.9	75.3	0	0	0	118.4
497	N	25.1	Very low	30.1	Very low	127 Å²	127	138.3 Å²	138.3	68%	0.679	71%	0.711	S	S	*	*				76.2	124.9	119	-66.5	4.4	0	0	0	123.3
498	H	27.3	Very low	30.1	Very low	147 Å²	147	139.9 Å²	139.9	68%	0.681	72%	0.716	S	S	*	*			trans	85.2	132.9	132.5	-84.9	-58.4	0	0	0	121.4
499	Y	29.3	Very low	30.2	Very low	191 Å²	191	138.7 Å²	138.7	75%	0.749	72%	0.715	S	S	*	*			trans	65.7	146.3	171	-56.5	-72.5	0	0	0	115.1
500	E	30.2	Very low	30.3	Very low	142 Å²	142	137.3 Å²	137.3	66%	0.664	71%	0.709	S	S	*	*			cis	-151.9	139.5	8.2	-149.4	140.3	-140.2	0	0	113.8
501	Q	30.3	Very low	30.6	Very low	147 Å²	147	141.1 Å²	141.1	69%	0.687	72%	0.72	S	S	*	*			trans	60	137.6	139.9	-80.2	179.4	47.6	0	0	125.5
502	N	27.9	Very low	30.7	Very low	137 Å²	137	145.9 Å²	145.9	73%	0.733	74%	0.736	S	S	*	*			trans	84.8	81.3	138.2	-58.6	-11.9	0	0	0	122.7
503	S	31.5	Very low	30.9	Very low	111 Å²	111	145.4 Å²	145.4	78%	0.776	74%	0.738	S	S	*	*				-150.8	116.8	123.7	56.9	0	0	0	0	107.5
504	M	30.6	Very low	31.2	Very low	159 Å²	159	142 Å²	142	78%	0.783	73%	0.73	S	S	*	*				59.8	114.6	82	-158.4	164.4	-178.9	0	0	109.7
505	E	32.3	Very low	31.4	Very low	145 Å²	145	139.4 Å²	139.4	68%	0.678	72%	0.721	S	S	*	*			cis	-166.2	143.1	24.1	-149.3	162.6	-153.5	0	0	111.5
506	T	34.2	Very low	31.5	Very low	124 Å²	124	139.8 Å²	139.8	76%	0.761	72%	0.717	S	S	*	*			trans	57.2	154	162.8	52.2	0	0	0	0	119.6
507	I	34.6	Very low	31.7	Very low	137 Å²	137	142.2 Å²	142.2	70%	0.703	72%	0.718	S	S	*	*			cis	-152	155.5	-3.6	-114.6	156.8	0	0	0	108.5
508	D	34.7	Very low	32	Very low	136 Å²	136	144.4 Å²	144.4	73%	0.727	73%	0.726	S	S	*	*			trans	-2.9	157.5	158.5	-36.8	-39.1	0	0	0	121
509	D	34.9	Very low	32.1	Very low	107 Å²	107	145.9 Å²	145.9	57%	0.572	73%	0.73	S	S	*	*			cis	-167.3	177	15.7	-140.9	-29.7	0	0	0	113.8
510	K	34.9	Very low	32.1	Very low	158 Å²	158	145 Å²	145	69%	0.687	74%	0.735	S	S	*	*			trans	20.4	144.5	150	-73.9	145.4	-156.8	149.6	0	121.4
511	M	35.6	Very low	32.1	Very low	167 Å²	167	143.9 Å²	143.9	82%	0.823	73%	0.733	S	S	*	*			cis	-153.7	140.6	14.3	-94	136.6	171.4	0	0	107.9
512	K	30.6	Very low	32.1	Very low	191 Å²	191	143.2 Å²	143.2	83%	0.83	74%	0.735	S	S	*	*				47.2	134	81.2	-86	-166.1	177.3	-177	0	118.4
513	D	35.1	Very low	32.1	Very low	141 Å²	141	141.9 Å²	141.9	75%	0.754	74%	0.735	S	S	*	*			trans	99.5	146.2	161	-68.2	-14.2	0	0	0	118.9
514	N	31.7	Very low	32	Very low	148 Å²	148	142.6 Å²	142.6	79%	0.791	73%	0.73	S	S	*	*			cis	-169.9	149.3	-35.5	-130.2	-49.4	0	0	0	109
515	G	32.2	Very low	32	Very low	56 Å²	56	143 Å²	143	58%	0.577	73%	0.73	S	S	*	*			trans	135.8	119	170.9	0	0	0	0	0	114.8
516	N	32.1	Very low	31.6	Very low	123 Å²	123	145.2 Å²	145.2	66%	0.658	74%	0.738	S	S	*	*				77.9	123.7	58.9	-68.4	-19.3	0	0	0	112.9
517	Y	31	Very low	31.3	Very low	193 Å²	193	147.5 Å²	147.5	76%	0.757	74%	0.74	S	S	*	*			cis	-145.6	-179.9	-8.5	-52.5	-77.8	0	0	0	107.6
518	M	31.4	Very low	30.9	Very low	172 Å²	172	150.4 Å²	150.4	85%	0.847	75%	0.75	S	S	*	*			cis	-137	165.1	3.8	-70.7	-175.5	-179	0	0	108.1
519	K	28.2	Very low	30.6	Very low	179 Å²	179	152.1 Å²	152.1	78%	0.778	75%	0.754	S	S	*	*			cis	91.5	84.9	16.5	-159.2	-178.2	-172.3	179.1	0	117.5
520	M	29.5	Very low	30.2	Very low	171 Å²	171	154.1 Å²	154.1	84%	0.842	77%	0.765	S	S	*	*			trans	-173.3	123	135.4	-100.3	-175	172.7	0	0	108.5
521	N	30.2	Very low	29.8	Very low	119 Å²	119	156 Å²	156	64%	0.636	78%	0.776	S	S	*	*				77.4	129.7	74.2	-70.4	33.2	0	0	0	111.9
522	N	30.9	Very low	29.4	Very low	134 Å²	134	154.6 Å²	154.6	72%	0.717	77%	0.77	S	S	*	*			cis	-143.6	153.9	10.1	-90.7	-14	0	0	0	110.9
523	C	27.5	Very low	29.1	Very low	109 Å²	109	151.6 Å²	151.6	74%	0.736	77%	0.768	S	S	*	*				31.1	124.8	109.7	-55	0	0	0	0	114.8
524	D	29.5	Very low	28.6	Very low	126 Å²	126	152 Å²	152	67%	0.674	77%	0.765	S	S	*	*			cis	-155.7	-176.4	18.1	-125.2	27.9	0	0	0	110.5
525	Q	30.9	Very low	28.4	Very low	166 Å²	166	150.1 Å²	150.1	78%	0.776	76%	0.762	S	S	*	*			cis	-150.6	-149.8	17.9	-154.4	142.6	80.6	0	0	111.8
526	F	24.9	Very low	28.1	Very low	192 Å²	192	153.4 Å²	153.4	84%	0.842	77%	0.766	S	S	*	*			trans	-85.4	142.5	-179.7	-72	-111.5	0	0	0	113.7
527	E	27.4	Very low	27.8	Very low	173 Å²	173	153 Å²	153	81%	0.808	77%	0.773	S	S	*	*				-177.5	161.4	103.5	-100.1	-168.3	168.4	0	0	112.7
528	Q	25.7	Very low	27.8	Very low	197 Å²	197	150.1 Å²	150.1	92%	0.921	77%	0.77	S	S	*	*			trans	-85.8	114.1	178	-67.1	175.2	-17.9	0	0	110.7
529	Q	28.3	Very low	27.5	Very low	172 Å²	172	149.5 Å²	149.5	80%	0.804	77%	0.765	S	S	*	*			trans	-132.6	141.5	168.4	-66.6	-164.6	5.5	0	0	112.3
530	N	26.2	Very low	27.6	Very low	149 Å²	149	147.8 Å²	147.8	80%	0.797	76%	0.764	S	S	*	*			trans	-66.2	137.8	-174.9	-55.4	-74.2	0	0	0	111.5	I532	N530-I532 HydrophobicContact CB-CG1 4.35Å; N530-I532 PolarHBondContact O-N 3.08Å
531	E	26.4	Very low	27.5	Very low	198 Å²	198	146 Å²	146	93%	0.925	75%	0.751	S	S	*	*			trans	-70.4	81	162.7	-72.3	-165.5	126.6	0	0	110	V533	E531-V533 PolarHBondContact O-N 3.03Å; E531-V533 VanDerWaalsContact O-N 3.16Å
532	I	26.8	Very low	27.4	Very low	137 Å²	137	148.2 Å²	148.2	70%	0.703	76%	0.758	S	S	*	*			trans	-63.7	112.5	167.7	-63.9	173.3	0	0	0	107.3	N530 H534	N530-I532 HydrophobicContact CB-CG1 4.35Å; N530-I532 PolarHBondContact O-N 3.08Å; I532-H534 PolarHBondContact O-N 2.72Å
533	V	25.6	Very low	27.3	Very low	129 Å²	129	148.6 Å²	148.6	78%	0.782	76%	0.755	S	S	*	*			trans	-57.3	110.6	172.2	176.4	0	0	0	0	108.2	E531 C535	E531-V533 PolarHBondContact O-N 3.03Å; E531-V533 VanDerWaalsContact O-N 3.16Å; V533-C535 PolarHBondContact O-N 2.81Å
534	H	25.1	Very low	27.5	Very low	150 Å²	150	154.5 Å²	154.5	69%	0.694	76%	0.762	S	S	*	*			trans	-72	101.4	-164.3	-146.7	-92.7	0	0	0	110.8	I532 N536	I532-H534 PolarHBondContact O-N 2.72Å; H534-N536 PolarHBondContact ND1-OD1 3.16Å; H534-N536 PolarHBondContact O-N 3.32Å
535	C	25.8	Very low	27.5	Very low	108 Å²	108	152.9 Å²	152.9	73%	0.73	76%	0.761	S	S	*	*			trans	-67.9	73.4	176.7	-67.7	0	0	0	0	111.5	V533 S537 L538	V533-C535 PolarHBondContact O-N 2.81Å; C535-S537 PolarHBondContact O-N 3.15Å; C535-L538 PolarHBondContact O-N 2.88Å
536	N	26.9	Very low	27.4	Very low	124 Å²	124	151.8 Å²	151.8	66%	0.663	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	126.8	-176.7	-75.3	-29	0	0	0	111.2	H534	H534-N536 PolarHBondContact ND1-OD1 3.16Å; H534-N536 PolarHBondContact O-N 3.32Å
537	S	26.4	Very low	27.7	Very low	116 Å²	116	151.2 Å²	151.2	81%	0.811	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.1	29.7	178.7	69.8	0	0	0	0	118.2	C535	C535-S537 PolarHBondContact O-N 3.15Å
538	L	30.7	Very low	28	Very low	131 Å²	131	150.4 Å²	150.4	69%	0.686	76%	0.76	S	S	*	*			trans	-88.1	36.1	143.5	-104.3	176.1	0	0	0	112.5	C535 L540	C535-L538 PolarHBondContact O-N 2.88Å; L538-L540 VanDerWaalsContact C-N 3.28Å; L538-L540 PolarHBondContact O-N 3.36Å
539	Q	25.6	Very low	28.1	Very low	160 Å²	160	149.6 Å²	149.6	75%	0.748	76%	0.757	S	S	*	*			trans	-68.2	93	155.4	-81.3	-171.4	-14.1	0	0	108.3	K541	Q539-K541 VanDerWaalsContact C-N 3.28Å; Q539-K541 PolarHBondContact O-N 3.15Å
540	L	29.5	Very low	28.2	Very low	143 Å²	143	149.1 Å²	149.1	75%	0.749	76%	0.76	S	S	*	*			trans	-57.8	99.5	151.6	-74.8	169.3	0	0	0	107	L538 E542	L538-L540 VanDerWaalsContact C-N 3.28Å; L538-L540 PolarHBondContact O-N 3.36Å; L540-E542 VanDerWaalsContact C-N 3.3Å; L540-E542 PolarHBondContact O-N 3.42Å
541	K	26.5	Very low	28.5	Very low	132 Å²	132	148.9 Å²	148.9	57%	0.574	76%	0.757	S	S	*	*			trans	-67.9	94.6	167.3	-90.5	-178.2	173.1	-78	0	107.9	Q539 E543	Q539-K541 VanDerWaalsContact C-N 3.28Å; Q539-K541 PolarHBondContact O-N 3.15Å; K541-E543 HydrophobicContact CB-CB 4.36Å; K541-E543 HydrophobicContact CB-CG 4.44Å; K541-E543 WeakPolarHBondContact CD-OE2 3.03Å; K541-E543 HydrophobicContact CG-CG 4.41Å; K541-E543 IonicContact NZ-OE1 3.13Å; K541-E543 PolarHBondContact NZ-OE1 3.01Å; K541-E543 IonicContact NZ-OE2 2.65Å; K541-E543 PolarHBondContact NZ-OE2 3.18Å; K541-E543 PolarHBondContact O-N 3.47Å
542	E	29.9	Very low	28.7	Very low	166 Å²	166	145 Å²	145	78%	0.776	75%	0.749	S	S	*	*			trans	-65.6	6.2	166.4	-70.8	-174.6	118.4	0	0	112.9	L540 R544 S545	L540-E542 VanDerWaalsContact C-N 3.3Å; L540-E542 PolarHBondContact O-N 3.42Å; E542-R544 PolarHBondContact O-N 2.77Å; E542-S545 PolarHBondContact O-N 3.19Å; E542-S545 PolarHBondContact O-OG 3.32Å; E542-S545 VanDerWaalsContact O-OG 3.04Å
543	E	28.2	Very low	28.7	Very low	142 Å²	142	144.1 Å²	144.1	66%	0.664	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	38.8	175.1	-61.2	172.8	-165.1	0	0	114.5	K541	K541-E543 HydrophobicContact CB-CB 4.36Å; K541-E543 HydrophobicContact CB-CG 4.44Å; K541-E543 WeakPolarHBondContact CD-OE2 3.03Å; K541-E543 HydrophobicContact CG-CG 4.41Å; K541-E543 IonicContact NZ-OE1 3.13Å; K541-E543 PolarHBondContact NZ-OE1 3.01Å; K541-E543 IonicContact NZ-OE2 2.65Å; K541-E543 PolarHBondContact NZ-OE2 3.18Å; K541-E543 PolarHBondContact O-N 3.47Å
544	R	30.7	Very low	28.9	Very low	234 Å²	234	144.8 Å²	144.8	88%	0.883	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.2	2.5	166	-77.6	-160.1	171.1	179.4	-2.1	114.9	E542 N546	E542-R544 PolarHBondContact O-N 2.77Å; R544-N546 VanDerWaalsContact C-N 3.32Å; R544-N546 PolarHBondContact O-N 2.76Å
545	S	30	Very low	29.1	Very low	92 Å²	92	145.1 Å²	145.1	64%	0.643	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-20.2	177.6	48.4	0	0	0	0	114.6	E542	E542-S545 PolarHBondContact O-N 3.19Å; E542-S545 PolarHBondContact O-OG 3.32Å; E542-S545 VanDerWaalsContact O-OG 3.04Å
546	N	29.3	Very low	30.2	Very low	143 Å²	143	147.3 Å²	147.3	77%	0.765	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	44.8	-172	-68.8	-19.5	0	0	0	114.2	R544	R544-N546 VanDerWaalsContact C-N 3.32Å; R544-N546 PolarHBondContact O-N 2.76Å
547	Q	31.5	Very low	31.6	Very low	179 Å²	179	147 Å²	147	84%	0.836	76%	0.757	S	S	*	*	S	Bend	trans	-175.6	69.3	160.8	-110.4	158.5	89.5	0	0	113.4
548	L	32.3	Very low	33.7	Very low	156 Å²	156	144.3 Å²	144.3	82%	0.817	74%	0.736	S	S	*	*			trans	-168.7	102.4	144.9	-132.5	74.6	0	0	0	109.7
549	E	28.8	Very low	36.2	Very low	180 Å²	180	142.3 Å²	142.3	84%	0.841	72%	0.723	S	S	*	*			trans	-79.1	172.9	163.4	-65.9	176.6	128.5	0	0	109.4
550	D	29.6	Very low	39.3	Very low	163 Å²	163	136.5 Å²	136.5	87%	0.872	69%	0.694	S	S	*	*			trans	65.9	53.2	176.7	-63.3	-20.3	0	0	0	118.9
551	I	33.4	Very low	42.2	Very low	143 Å²	143	129.7 Å²	129.7	73%	0.733	66%	0.659	S	S	*	*			trans	-130.9	125.1	148.2	-56.9	-178	0	0	0	109.9
552	P	30.2	Very low	45.3	Very low	117 Å²	117	123.4 Å²	123.4	76%	0.76	63%	0.631	S	S	*	*			trans	-62.2	149.7	-179.9	-25.3	35.2	0	0	0	114.7	L554	P552-L554 PolarHBondContact O-N 3.13Å; P552-L554 VanDerWaalsContact O-N 3.07Å
553	S	27	Very low	48.2	Very low	118 Å²	118	115.5 Å²	115.5	83%	0.825	59%	0.594	S	S	*	*			trans	-66.1	100.4	-172.1	42.5	0	0	0	0	114.6
554	L	30.6	Very low	51	Low	143 Å²	143	108.8 Å²	108.8	75%	0.749	56%	0.563	S	S	*	*			trans	-85.8	124.4	149	-110.1	73.7	0	0	0	109.1	P552 Q556	P552-L554 PolarHBondContact O-N 3.13Å; P552-L554 VanDerWaalsContact O-N 3.07Å; L554-Q556 HydrophobicContact CB-CG 4.19Å; L554-Q556 PolarHBondContact O-N 3.5Å
555	N	29.4	Very low	53.1	Low	158 Å²	158	98 Å²	98	85%	0.845	53%	0.525	S	S	*	.			trans	-67.7	83.2	163.5	-75.9	-17.9	0	0	0	109	I557	N555-I557 PolarHBondContact O-N 3.01Å
556	Q	47.1	Very low	55.6	Low	154 Å²	154	94 Å²	94	72%	0.72	50%	0.496	S	S	*	.			trans	-70.1	99.3	177.8	-68.7	-169.7	-0.2	0	0	109.7	L554 V558	L554-Q556 HydrophobicContact CB-CG 4.19Å; L554-Q556 PolarHBondContact O-N 3.5Å; Q556-V558 WeakPolarHBondContact O-CG2 3.46Å; Q556-V558 PolarHBondContact O-N 2.68Å
557	I	56.1	Low	57.9	Low	116 Å²	116	92.7 Å²	92.7	60%	0.595	49%	0.489	S	S	*	.			trans	-62.2	105.7	164.8	-60.3	174.6	0	0	0	106.6	N555 Q559	N555-I557 PolarHBondContact O-N 3.01Å; I557-Q559 HydrophobicContact CG2-CG 4.36Å; I557-Q559 PolarHBondContact O-N 3.08Å
558	V	70.8	Confident	60.4	Low	61 Å²	61	89.9 Å²	89.9	37%	0.37	48%	0.476	S	S	.	.			trans	-72	94.7	-174.4	-171.9	0	0	0	0	109.2	Q556 Y560 N581 N600	Q556-V558 WeakPolarHBondContact O-CG2 3.46Å; Q556-V558 PolarHBondContact O-N 2.68Å; V558-Y560 HydrophobicContact CB-CE2 4.35Å; V558-Y560 HydrophobicContact CG1-CE1 4.01Å; V558-Y560 HydrophobicContact CG1-CE2 3.98Å; V558-Y560 WeakPolarHBondContact O-CD2 3.41Å; V558-Y560 VanDerWaalsContact O-CE2 3.27Å; V558-Y560 WeakPolarHBondContact O-CE2 3.36Å; V558-N581 WeakPolarHBondContact CG1-ND2 3.42Å; V558-N600 WeakPolarHBondContact O-CB 3.47Å
559	Q	84.4	Confident	63	Low	88 Å²	88	83.7 Å²	83.7	41%	0.411	44%	0.444	S	S	.	.			trans	-83.8	139.9	178.8	-69.3	176.6	16.2	0	0	111	I557 I580 N581	I557-Q559 HydrophobicContact CG2-CG 4.36Å; I557-Q559 PolarHBondContact O-N 3.08Å; Q559-I580 HydrophobicContact CB-CD1 3.86Å; Q559-I580 HydrophobicContact CB-CG1 4.17Å; Q559-I580 VanDerWaalsContact O-CG1 3.25Å; Q559-I580 WeakPolarHBondContact O-CG1 3.49Å; Q559-N581 PolarHBondContact O-N 3.28Å
560	Y	89.7	Confident	65.8	Low	39 Å²	39	79.3 Å²	79.3	15%	0.153	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.7	-179.1	-60.1	-82	0	0	0	111.9	V558 N581 L583 I597 N600 V601 S602	V558-Y560 HydrophobicContact CB-CE2 4.35Å; V558-Y560 HydrophobicContact CG1-CE1 4.01Å; V558-Y560 HydrophobicContact CG1-CE2 3.98Å; V558-Y560 WeakPolarHBondContact O-CD2 3.41Å; V558-Y560 VanDerWaalsContact O-CE2 3.27Å; V558-Y560 WeakPolarHBondContact O-CE2 3.36Å; Y560-N581 WeakPolarHBondContact CA-O 3.49Å; Y560-N581 HydrophobicContact CD1-CB 3.76Å; Y560-N581 HydrophobicContact CE1-CB 4.08Å; Y560-L583 HydrophobicContact CD1-CD1 3.49Å; Y560-L583 VanDerWaalsContact CD1-CD1 3.49Å; Y560-L583 HydrophobicContact CD1-CD2 4.45Å; Y560-L583 HydrophobicContact CD1-CG 3.82Å; Y560-L583 HydrophobicContact CE1-CD1 4.06Å; Y560-L583 HydrophobicContact CE1-CG 4.46Å; Y560-L583 HydrophobicContact CG-CD1 3.9Å; Y560-I597 HydrophobicContact CD2-CG2 4.07Å; Y560-I597 HydrophobicContact CE2-CB 4.49Å; Y560-I597 HydrophobicContact CE2-CG1 4.29Å; Y560-I597 HydrophobicContact CE2-CG2 4.42Å; Y560-I597 HydrophobicContact CG-CG2 4.21Å; Y560-N600 HydrophobicContact CD2-CB 4.01Å; Y560-N600 HydrophobicContact CE2-CB 4.29Å; Y560-N600 PolarHBondContact N-O 3.27Å; Y560-N600 VanDerWaalsContact N-O 3.08Å; Y560-V601 WeakPolarHBondContact O-CA 3.29Å; Y560-S602 PolarHBondContact O-N 3.48Å
561	V	91.5	Very high	68.5	Low	0 Å²	0	72.1 Å²	72.1	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.5	162.4	-177.3	0	0	0	0	108.9	F563 I580 N581 P582 L583 D603 V605 L926	V561-F563 HydrophobicContact CB-CE2 4.01Å; V561-F563 HydrophobicContact CG1-CD2 4.19Å; V561-F563 HydrophobicContact CG1-CE2 3.6Å; V561-F563 HydrophobicContact CG1-CZ 3.96Å; V561-I580 HydrophobicContact CB-CG2 4.49Å; V561-I580 HydrophobicContact CG2-CB 4.3Å; V561-I580 HydrophobicContact CG2-CD1 3.53Å; V561-I580 HydrophobicContact CG2-CG1 3.87Å; V561-I580 HydrophobicContact CG2-CG2 3.55Å; V561-N581 PolarHBondContact N-O 2.87Å; V561-P582 CarbonylContact O-C 3.06Å; V561-P582 WeakPolarHBondContact O-CA 3.28Å; V561-L583 PolarHBondContact O-N 2.89Å; V561-D603 WeakPolarHBondContact CA-O 3.38Å; V561-D603 HydrophobicContact CG1-CB 4.12Å; V561-D603 WeakPolarHBondContact CG1-O 3.36Å; V561-D603 HydrophobicContact CG2-CB 4.06Å; V561-V605 HydrophobicContact CG1-CG2 4.05Å; V561-L926 HydrophobicContact CG1-CD1 4.4Å; V561-L926 HydrophobicContact CG1-CD2 3.85Å; V561-L926 HydrophobicContact CG2-CD2 4.32Å
562	I	91.3	Very high	71.3	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.9	177.6	-73.9	-175.6	0	0	0	110.3	I564 I585 L593 V601 D603 M604 V605 F620	I562-I564 HydrophobicContact CG2-CD1 4.11Å; I562-I564 HydrophobicContact CG2-CG1 3.66Å; I562-I585 HydrophobicContact CD1-CD1 4.13Å; I562-I585 HydrophobicContact CG2-CD1 3.52Å; I562-I585 HydrophobicContact CG2-CG1 3.9Å; I562-L593 HydrophobicContact CD1-CD1 3.52Å; I562-L593 HydrophobicContact CD1-CD2 4.42Å; I562-V601 HydrophobicContact CB-CG1 4.32Å; I562-V601 HydrophobicContact CD1-CB 4.46Å; I562-V601 HydrophobicContact CD1-CG1 4.11Å; I562-V601 HydrophobicContact CD1-CG2 3.47Å; I562-V601 VanDerWaalsContact CD1-CG2 3.47Å; I562-V601 HydrophobicContact CG1-CG1 4.02Å; I562-V601 HydrophobicContact CG1-CG2 4Å; I562-D603 PolarHBondContact N-O 3.32Å; I562-D603 VanDerWaalsContact N-O 3.09Å; I562-M604 HydrophobicContact CB-CG 4.48Å; I562-M604 HydrophobicContact CG2-CE 4.28Å; I562-M604 HydrophobicContact CG2-CG 4.29Å; I562-M604 CarbonylContact O-C 3.48Å; I562-M604 WeakPolarHBondContact O-CA 3.37Å; I562-V605 PolarHBondContact O-N 2.89Å; I562-F620 HydrophobicContact CD1-CE1 4.18Å
563	F	90.6	Very high	74.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.6	170.4	-65.9	-94.6	0	0	0	109.3	V561 I566 L569 E572 L576 P582 L583 I585 V605 Y607 L926	V561-F563 HydrophobicContact CB-CE2 4.01Å; V561-F563 HydrophobicContact CG1-CD2 4.19Å; V561-F563 HydrophobicContact CG1-CE2 3.6Å; V561-F563 HydrophobicContact CG1-CZ 3.96Å; F563-I566 HydrophobicContact CB-CD1 3.9Å; F563-I566 HydrophobicContact CB-CG1 4.11Å; F563-I566 HydrophobicContact CD1-CD1 4.4Å; F563-I566 HydrophobicContact CG-CD1 4.37Å; F563-L569 HydrophobicContact CB-CD2 4.21Å; F563-L569 HydrophobicContact CD2-CD2 3.89Å; F563-L569 HydrophobicContact CG-CD2 4.09Å; F563-E572 HydrophobicContact CD1-CG 4.04Å; F563-E572 HydrophobicContact CE1-CG 3.69Å; F563-E572 HydrophobicContact CE2-CG 4.37Å; F563-E572 HydrophobicContact CG-CG 4.49Å; F563-E572 HydrophobicContact CZ-CB 4.34Å; F563-E572 HydrophobicContact CZ-CG 3.89Å; F563-L576 HydrophobicContact CE2-CD1 4.06Å; F563-L576 HydrophobicContact CZ-CD1 3.56Å; F563-P582 HydrophobicContact CD2-CB 4.03Å; F563-P582 HydrophobicContact CE2-CB 3.59Å; F563-L583 PolarHBondContact N-O 2.79Å; F563-I585 PolarHBondContact O-N 3.29Å; F563-I585 VanDerWaalsContact O-N 3.08Å; F563-V605 WeakPolarHBondContact CA-O 3.45Å; F563-V605 HydrophobicContact CD1-CB 3.58Å; F563-V605 HydrophobicContact CD1-CG1 3.81Å; F563-V605 HydrophobicContact CD1-CG2 3.87Å; F563-V605 HydrophobicContact CE1-CB 3.85Å; F563-V605 HydrophobicContact CE1-CG1 3.98Å; F563-V605 HydrophobicContact CE1-CG2 3.62Å; F563-V605 HydrophobicContact CG-CB 4.28Å; F563-V605 HydrophobicContact CZ-CG2 4.1Å; F563-Y607 AromaticContact CD1-CE2 3.99Å; F563-Y607 HydrophobicContact CD1-CE2 3.99Å; F563-L926 HydrophobicContact CE1-CD2 4.46Å; F563-L926 HydrophobicContact CE2-CD2 4.49Å; F563-L926 HydrophobicContact CZ-CD2 3.7Å
564	I	86.1	Confident	77	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.5	-175.7	-52.5	161.6	0	0	0	109.9	I562 I585 I590 M604 V605 T606 Y607 I610	I562-I564 HydrophobicContact CG2-CD1 4.11Å; I562-I564 HydrophobicContact CG2-CG1 3.66Å; I564-I585 WeakPolarHBondContact CA-O 3.45Å; I564-I585 HydrophobicContact CG1-CG1 4.16Å; I564-I590 HydrophobicContact CD1-CD1 3.56Å; I564-I590 HydrophobicContact CD1-CG1 4.49Å; I564-I590 HydrophobicContact CG1-CD1 4.18Å; I564-I590 HydrophobicContact CG2-CD1 4.38Å; I564-M604 HydrophobicContact CD1-CE 4.14Å; I564-M604 HydrophobicContact CD1-CG 3.75Å; I564-M604 HydrophobicContact CD1-SD 3.53Å; I564-M604 VanDerWaalsContact CD1-SD 3.53Å; I564-V605 PolarHBondContact N-O 3.45Å; I564-T606 HydrophobicContact CD1-CG2 4Å; I564-Y607 PolarHBondContact O-N 3.47Å; I564-I610 HydrophobicContact CB-CD1 4.21Å; I564-I610 HydrophobicContact CG2-CD1 3.54Å
565	G	76.5	Confident	79.8	Confident	8 Å²	8	56.8 Å²	56.8	8%	0.082	30%	0.299	C	S	.	.	S	Bend	trans	84.6	20.3	172.7	0	0	0	0	0	115.5	I585 Q608	G565-I585 PolarHBondContact N-O 2.86Å; G565-Q608 PolarHBondContact O-NE2 2.93Å
566	I	80.5	Confident	82.7	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.036	26%	0.259	C	S	.	.			trans	-117.1	161.6	157.4	50	166.1	0	0	0	108.2	F563 L569 E572 C584 Y607	F563-I566 HydrophobicContact CB-CD1 3.9Å; F563-I566 HydrophobicContact CB-CG1 4.11Å; F563-I566 HydrophobicContact CD1-CD1 4.4Å; F563-I566 HydrophobicContact CG-CD1 4.37Å; I566-L569 HydrophobicContact CD1-CD2 4.02Å; I566-E572 HydrophobicContact CD1-CG 4.46Å; I566-C584 PolarHBondContact O-SG 2.97Å; I566-Y607 HydrophobicContact CB-CD2 4.36Å; I566-Y607 HydrophobicContact CD1-CD2 4.32Å; I566-Y607 HydrophobicContact CD1-CE2 3.94Å; I566-Y607 HydrophobicContact CG1-CD2 4.04Å; I566-Y607 HydrophobicContact CG1-CE2 4.18Å; I566-Y607 HydrophobicContact CG2-CD2 3.52Å; I566-Y607 HydrophobicContact CG2-CE2 3.9Å; I566-Y607 HydrophobicContact CG2-CG 3.86Å
567	D	78.7	Confident	84.6	Confident	117 Å²	117	47.5 Å²	47.5	63%	0.626	25%	0.25	S	S	*	.	S	Bend	trans	-104.9	-23.4	-173.9	-47.1	-50	0	0	0	113.2	Q586	D567-Q586 PolarHBondContact OD1-NE2 3.04Å
568	E	84.2	Confident	85.9	Confident	119 Å²	119	46.5 Å²	46.5	56%	0.556	25%	0.246	S	C	*	.			trans	-138.5	147.5	-177	-62.6	179.8	175.5	0	0	111.2	T570 R919	E568-T570 HydrophobicContact CB-CG2 4.27Å; E568-T570 VanDerWaalsContact OE2-CG2 3.29Å; E568-T570 WeakPolarHBondContact OE2-CG2 3.38Å; E568-T570 PolarHBondContact OE2-OG1 3Å; E568-R919 PolarHBondContact O-NH2 2.84Å
569	L	87.7	Confident	86.6	Confident	27 Å²	27	45.1 Å²	45.1	14%	0.141	24%	0.238	C	C	.	.			trans	-95.6	25.4	176.1	-63.7	168.9	0	0	0	114.3	F563 I566 V571 E572 M573 P582 C584	F563-L569 HydrophobicContact CB-CD2 4.21Å; F563-L569 HydrophobicContact CD2-CD2 3.89Å; F563-L569 HydrophobicContact CG-CD2 4.09Å; I566-L569 HydrophobicContact CD1-CD2 4.02Å; L569-V571 PolarHBondContact O-N 2.97Å; L569-V571 VanDerWaalsContact O-N 3.08Å; L569-E572 WeakPolarHBondContact CA-OE2 3.45Å; L569-E572 HydrophobicContact CB-CB 4.39Å; L569-E572 HydrophobicContact CD2-CB 3.99Å; L569-E572 HydrophobicContact CD2-CG 4.03Å; L569-E572 PolarHBondContact O-N 3.2Å; L569-M573 HydrophobicContact CB-CG 3.82Å; L569-M573 HydrophobicContact CD1-CE 4.09Å; L569-M573 WeakPolarHBondContact O-CB 3.46Å; L569-M573 PolarHBondContact O-N 2.83Å; L569-P582 HydrophobicContact CD1-CB 4.05Å; L569-P582 HydrophobicContact CD1-CG 4.18Å; L569-P582 WeakPolarHBondContact CD1-O 3.45Å; L569-P582 HydrophobicContact CD2-CB 4.41Å; L569-C584 HydrophobicContact CD1-CB 3.86Å; L569-C584 HydrophobicContact CD2-CB 3.9Å; L569-C584 HydrophobicContact CG-CB 3.65Å
570	T	87	Confident	86.8	Confident	88 Å²	88	41.5 Å²	41.5	54%	0.54	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.7	-176	35.7	0	0	0	0	114.2	E568	E568-T570 HydrophobicContact CB-CG2 4.27Å; E568-T570 VanDerWaalsContact OE2-CG2 3.29Å; E568-T570 WeakPolarHBondContact OE2-CG2 3.38Å; E568-T570 PolarHBondContact OE2-OG1 3Å
571	V	86.5	Confident	86.8	Confident	11 Å²	11	43.2 Å²	43.2	7%	0.067	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-34.9	-178.3	-175.9	0	0	0	0	112.4	L569 I575 E916 R919 R920	L569-V571 PolarHBondContact O-N 2.97Å; L569-V571 VanDerWaalsContact O-N 3.08Å; V571-I575 WeakPolarHBondContact O-CD1 3.45Å; V571-E916 HydrophobicContact CG1-CG 4.05Å; V571-E916 HydrophobicContact CG2-CG 3.85Å; V571-R919 HydrophobicContact CB-CB 4.06Å; V571-R919 HydrophobicContact CG1-CB 3.7Å; V571-R919 HydrophobicContact CG2-CB 4.42Å; V571-R920 HydrophobicContact CG1-CB 4.25Å; V571-R920 HydrophobicContact CG1-CG 3.38Å
572	E	90.9	Very high	86.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-45.7	-174	-66.9	65.7	-152.9	0	0	111.2	F563 I566 L569 I575 L576 R919	F563-E572 HydrophobicContact CD1-CG 4.04Å; F563-E572 HydrophobicContact CE1-CG 3.69Å; F563-E572 HydrophobicContact CE2-CG 4.37Å; F563-E572 HydrophobicContact CG-CG 4.49Å; F563-E572 HydrophobicContact CZ-CB 4.34Å; F563-E572 HydrophobicContact CZ-CG 3.89Å; I566-E572 HydrophobicContact CD1-CG 4.46Å; L569-E572 WeakPolarHBondContact CA-OE2 3.45Å; L569-E572 HydrophobicContact CB-CB 4.39Å; L569-E572 HydrophobicContact CD2-CB 3.99Å; L569-E572 HydrophobicContact CD2-CG 4.03Å; L569-E572 PolarHBondContact O-N 3.2Å; E572-I575 CarbonylContact O-C 3.48Å; E572-I575 WeakPolarHBondContact O-CA 3.2Å; E572-I575 PolarHBondContact O-N 3.42Å; E572-L576 HydrophobicContact CB-CD1 4.14Å; E572-L576 WeakPolarHBondContact O-CB 3.42Å; E572-L576 WeakPolarHBondContact O-CG 3.06Å; E572-L576 PolarHBondContact O-N 3.04Å; E572-R919 WeakPolarHBondContact OE1-CB 3.38Å; E572-R919 IonicContact OE1-CZ 3.53Å; E572-R919 IonicContact OE1-NE 3.32Å; E572-R919 PolarHBondContact OE1-NE 3.09Å; E572-R919 IonicContact OE1-NH2 2.67Å; E572-R919 PolarHBondContact OE1-NH2 3.34Å; E572-R919 IonicContact OE2-CZ 3.45Å; E572-R919 IonicContact OE2-NE 2.98Å; E572-R919 IonicContact OE2-NH2 3.33Å; E572-R919 PolarHBondContact OE2-NH2 3.1Å
573	M	88.8	Confident	86.7	Confident	82 Å²	82	45.5 Å²	45.5	40%	0.404	25%	0.245	S	C	.	.	H	α-helix	trans	-54.4	-50.4	-176.8	-82.7	-73.8	-169.5	0	0	113	L569 I575 L576 H577 P582	L569-M573 HydrophobicContact CB-CG 3.82Å; L569-M573 HydrophobicContact CD1-CE 4.09Å; L569-M573 WeakPolarHBondContact O-CB 3.46Å; L569-M573 PolarHBondContact O-N 2.83Å; M573-I575 PolarHBondContact O-N 2.96Å; M573-L576 PolarHBondContact O-N 3.01Å; M573-H577 WeakPolarHBondContact O-CB 3.47Å; M573-H577 PolarHBondContact O-N 3.27Å; M573-H577 VanDerWaalsContact O-N 3.09Å; M573-H577 PolarHBondContact O-ND1 3.43Å; M573-H577 HydrophobicContact SD-CB 4.37Å; M573-P582 HydrophobicContact CE-CG 3.75Å; M573-P582 HydrophobicContact CG-CG 4.14Å; M573-P582 HydrophobicContact SD-CG 3.49Å; M573-P582 WeakPolarHBondContact SD-CG 3.45Å
574	P	89.3	Confident	86.6	Confident	91 Å²	91	47.5 Å²	47.5	59%	0.591	26%	0.258	S	S	*	.	H	α-helix	trans	-61.3	-14.4	177.5	-23.5	35	0	0	0	115
575	I	89.5	Confident	86.5	Confident	27 Å²	27	48.6 Å²	48.6	14%	0.138	26%	0.264	C	S	.	.	H	α-helix	trans	-105.4	-17.5	-176.7	-58.8	174.5	0	0	0	111.8	V571 E572 M573 R920 Q924 R927	V571-I575 WeakPolarHBondContact O-CD1 3.45Å; E572-I575 CarbonylContact O-C 3.48Å; E572-I575 WeakPolarHBondContact O-CA 3.2Å; E572-I575 PolarHBondContact O-N 3.42Å; M573-I575 PolarHBondContact O-N 2.96Å; I575-R920 HydrophobicContact CD1-CB 4.19Å; I575-R920 HydrophobicContact CD1-CG 4.08Å; I575-Q924 HydrophobicContact CG2-CG 4.19Å; I575-R927 WeakPolarHBondContact O-CD 3.24Å; I575-R927 PolarHBondContact O-NH1 3.15Å
576	L	90.6	Very high	86.9	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-129.5	-23.6	-167.3	-63.5	171.5	0	0	0	116.4	F563 E572 M573 D578 V579 I580 L926 R927	F563-L576 HydrophobicContact CE2-CD1 4.06Å; F563-L576 HydrophobicContact CZ-CD1 3.56Å; E572-L576 HydrophobicContact CB-CD1 4.14Å; E572-L576 WeakPolarHBondContact O-CB 3.42Å; E572-L576 WeakPolarHBondContact O-CG 3.06Å; E572-L576 PolarHBondContact O-N 3.04Å; M573-L576 PolarHBondContact O-N 3.01Å; L576-D578 PolarHBondContact O-N 3.37Å; L576-V579 PolarHBondContact O-N 3.15Å; L576-I580 HydrophobicContact CB-CG2 4.49Å; L576-I580 PolarHBondContact O-N 3.15Å; L576-L926 HydrophobicContact CD1-CD2 3.65Å; L576-L926 HydrophobicContact CD2-CD2 3.89Å; L576-L926 HydrophobicContact CD2-CG 4.27Å; L576-L926 HydrophobicContact CG-CD2 4.46Å; L576-R927 HydrophobicContact CD2-CB 3.88Å; L576-R927 HydrophobicContact CD2-CG 4.41Å
577	H	85.9	Confident	86.8	Confident	117 Å²	117	54.8 Å²	54.8	54%	0.542	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.5	-171.8	70.7	-78.5	0	0	0	115.6	M573	M573-H577 WeakPolarHBondContact O-CB 3.47Å; M573-H577 PolarHBondContact O-N 3.27Å; M573-H577 VanDerWaalsContact O-N 3.09Å; M573-H577 PolarHBondContact O-ND1 3.43Å; M573-H577 HydrophobicContact SD-CB 4.37Å
578	D	84.3	Confident	86.8	Confident	94 Å²	94	52.9 Å²	52.9	50%	0.503	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	5	178.6	66.5	-48.8	0	0	0	113.5	L576 R927	L576-D578 PolarHBondContact O-N 3.37Å; D578-R927 IonicContact OD1-CZ 2.66Å; D578-R927 IonicContact OD1-NH1 3.1Å; D578-R927 PolarHBondContact OD1-NH1 3.18Å; D578-R927 IonicContact OD1-NH2 2.65Å; D578-R927 IonicContact OD2-CZ 2.59Å; D578-R927 IonicContact OD2-NH1 2.65Å; D578-R927 PolarHBondContact OD2-NH1 3.49Å; D578-R927 IonicContact OD2-NH2 3.14Å; D578-R927 PolarHBondContact OD2-NH2 3.23Å
579	V	85.1	Confident	86.6	Confident	33 Å²	33	50.2 Å²	50.2	20%	0.2	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-36.6	-178.5	-176.2	0	0	0	0	112	L576 R927 L930 L931 L934	L576-V579 PolarHBondContact O-N 3.15Å; V579-R927 HydrophobicContact CG2-CG 4.14Å; V579-L930 HydrophobicContact CG1-CB 3.79Å; V579-L930 HydrophobicContact CG1-CD1 4.08Å; V579-L931 HydrophobicContact CG1-CD2 4.41Å; V579-L931 HydrophobicContact CG2-CD2 4.25Å; V579-L934 HydrophobicContact CG1-CD1 4Å
580	I	88.1	Confident	86.3	Confident	12 Å²	12	49.7 Å²	49.7	6%	0.062	27%	0.27	C	S	.	.			trans	-163.3	163.1	-177.9	-161.8	152	0	0	0	110.8	Q559 V561 L576 P582 S602 L930	Q559-I580 HydrophobicContact CB-CD1 3.86Å; Q559-I580 HydrophobicContact CB-CG1 4.17Å; Q559-I580 VanDerWaalsContact O-CG1 3.25Å; Q559-I580 WeakPolarHBondContact O-CG1 3.49Å; V561-I580 HydrophobicContact CB-CG2 4.49Å; V561-I580 HydrophobicContact CG2-CB 4.3Å; V561-I580 HydrophobicContact CG2-CD1 3.53Å; V561-I580 HydrophobicContact CG2-CG1 3.87Å; V561-I580 HydrophobicContact CG2-CG2 3.55Å; L576-I580 HydrophobicContact CB-CG2 4.49Å; L576-I580 PolarHBondContact O-N 3.15Å; I580-P582 WeakPolarHBondContact O-CD 3.48Å; I580-S602 VanDerWaalsContact CD1-OG 3.3Å; I580-S602 WeakPolarHBondContact CD1-OG 3.26Å; I580-L930 HydrophobicContact CB-CD1 4.2Å; I580-L930 HydrophobicContact CD1-CD1 4.43Å; I580-L930 HydrophobicContact CD1-CD2 4.06Å; I580-L930 HydrophobicContact CG2-CD1 3.63Å
581	N	89.3	Confident	85.9	Confident	75 Å²	75	49.4 Å²	49.4	40%	0.401	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	109.9	176	-70.8	-19.5	0	0	0	111.3	V558 Q559 Y560 V561	V558-N581 WeakPolarHBondContact CG1-ND2 3.42Å; Q559-N581 PolarHBondContact O-N 3.28Å; Y560-N581 WeakPolarHBondContact CA-O 3.49Å; Y560-N581 HydrophobicContact CD1-CB 3.76Å; Y560-N581 HydrophobicContact CE1-CB 4.08Å; V561-N581 PolarHBondContact N-O 2.87Å
582	P	91.1	Very high	85.7	Confident	6 Å²	6	55.1 Å²	55.1	4%	0.039	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	136.6	173.7	34.3	-34.5	0	0	0	110.9	V561 F563 L569 M573 I580	V561-P582 CarbonylContact O-C 3.06Å; V561-P582 WeakPolarHBondContact O-CA 3.28Å; F563-P582 HydrophobicContact CD2-CB 4.03Å; F563-P582 HydrophobicContact CE2-CB 3.59Å; L569-P582 HydrophobicContact CD1-CB 4.05Å; L569-P582 HydrophobicContact CD1-CG 4.18Å; L569-P582 WeakPolarHBondContact CD1-O 3.45Å; L569-P582 HydrophobicContact CD2-CB 4.41Å; M573-P582 HydrophobicContact CE-CG 3.75Å; M573-P582 HydrophobicContact CG-CG 4.14Å; M573-P582 HydrophobicContact SD-CG 3.49Å; M573-P582 WeakPolarHBondContact SD-CG 3.45Å; I580-P582 WeakPolarHBondContact O-CD 3.48Å
583	L	89.6	Confident	85.4	Confident	41 Å²	41	55.7 Å²	55.7	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.6	172.7	-68.4	177.2	0	0	0	110.1	Y560 V561 F563 I597	Y560-L583 HydrophobicContact CD1-CD1 3.49Å; Y560-L583 VanDerWaalsContact CD1-CD1 3.49Å; Y560-L583 HydrophobicContact CD1-CD2 4.45Å; Y560-L583 HydrophobicContact CD1-CG 3.82Å; Y560-L583 HydrophobicContact CE1-CD1 4.06Å; Y560-L583 HydrophobicContact CE1-CG 4.46Å; Y560-L583 HydrophobicContact CG-CD1 3.9Å; V561-L583 PolarHBondContact O-N 2.89Å; F563-L583 PolarHBondContact N-O 2.79Å; L583-I597 HydrophobicContact CD1-CD1 4.09Å; L583-I597 HydrophobicContact CD1-CG2 3.44Å; L583-I597 VanDerWaalsContact CD1-CG2 3.44Å
584	C	88.4	Confident	85.2	Confident	42 Å²	42	54.8 Å²	54.8	28%	0.284	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.6	-175.8	-169.1	0	0	0	0	109	I566 L569	I566-C584 PolarHBondContact O-SG 2.97Å; L569-C584 HydrophobicContact CD1-CB 3.86Å; L569-C584 HydrophobicContact CD2-CB 3.9Å; L569-C584 HydrophobicContact CG-CB 3.65Å
585	I	85.5	Confident	84.9	Confident	23 Å²	23	54.7 Å²	54.7	12%	0.118	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.9	-176.9	62.7	-176	0	0	0	111.1	I562 F563 I564 G565 D589 I590 L593	I562-I585 HydrophobicContact CD1-CD1 4.13Å; I562-I585 HydrophobicContact CG2-CD1 3.52Å; I562-I585 HydrophobicContact CG2-CG1 3.9Å; F563-I585 PolarHBondContact O-N 3.29Å; F563-I585 VanDerWaalsContact O-N 3.08Å; I564-I585 WeakPolarHBondContact CA-O 3.45Å; I564-I585 HydrophobicContact CG1-CG1 4.16Å; G565-I585 PolarHBondContact N-O 2.86Å; I585-D589 HydrophobicContact CB-CB 4.46Å; I585-I590 HydrophobicContact CD1-CG1 3.78Å; I585-I590 HydrophobicContact CG1-CG1 4.43Å; I585-L593 HydrophobicContact CD1-CD1 3.86Å; I585-L593 HydrophobicContact CD1-CD2 4.1Å; I585-L593 HydrophobicContact CD1-CG 4.21Å; I585-L593 HydrophobicContact CG2-CD2 4.22Å
586	Q	83.5	Confident	84.6	Confident	59 Å²	59	58.8 Å²	58.8	28%	0.276	31%	0.305	S	S	.	.			trans	-84.1	161.3	166.7	-57.2	-61.5	-19.3	0	0	110.4	D567 S588 D589	D567-Q586 PolarHBondContact OD1-NE2 3.04Å; Q586-S588 PolarHBondContact O-N 2.88Å; Q586-D589 WeakPolarHBondContact CB-OD2 3.34Å; Q586-D589 PolarHBondContact N-OD2 2.73Å; Q586-D589 VanDerWaalsContact N-OD2 3.12Å; Q586-D589 PolarHBondContact O-N 3.44Å
587	Y	78.1	Confident	84.3	Confident	87 Å²	87	59.8 Å²	59.8	34%	0.341	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-61.1	-29.8	-179	177.8	-110.8	0	0	0	113.2	D589 I590 I610 L612	Y587-D589 VanDerWaalsContact C-N 3.25Å; Y587-D589 PolarHBondContact O-N 2.95Å; Y587-I590 HydrophobicContact CD2-CD1 3.48Å; Y587-I590 VanDerWaalsContact CD2-CD1 3.48Å; Y587-I590 HydrophobicContact CE2-CD1 3.98Å; Y587-I590 HydrophobicContact CG-CD1 4.43Å; Y587-I590 WeakPolarHBondContact O-CG1 3.49Å; Y587-I610 HydrophobicContact CD2-CB 4.47Å; Y587-I610 HydrophobicContact CD2-CD1 4.01Å; Y587-I610 HydrophobicContact CD2-CG1 4.15Å; Y587-I610 HydrophobicContact CD2-CG2 3.45Å; Y587-I610 VanDerWaalsContact CD2-CG2 3.45Å; Y587-I610 HydrophobicContact CE2-CG2 3.22Å; Y587-I610 HydrophobicContact CG-CD1 4.39Å; Y587-I610 HydrophobicContact CG-CG1 4.4Å; Y587-I610 HydrophobicContact CG-CG2 4.31Å; Y587-L612 HydrophobicContact CE2-CD2 4.29Å
588	S	78.8	Confident	84.2	Confident	77 Å²	77	56.4 Å²	56.4	54%	0.538	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-56.5	-38	171.9	43	0	0	0	0	113.1	Q586	Q586-S588 PolarHBondContact O-N 2.88Å
589	D	81.4	Confident	84.3	Confident	63 Å²	63	55.9 Å²	55.9	34%	0.337	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-90.4	-10.3	-161.2	-41.6	-30.6	0	0	0	112	I585 Q586 Y587 K591 N592 L593	I585-D589 HydrophobicContact CB-CB 4.46Å; Q586-D589 WeakPolarHBondContact CB-OD2 3.34Å; Q586-D589 PolarHBondContact N-OD2 2.73Å; Q586-D589 VanDerWaalsContact N-OD2 3.12Å; Q586-D589 PolarHBondContact O-N 3.44Å; Y587-D589 VanDerWaalsContact C-N 3.25Å; Y587-D589 PolarHBondContact O-N 2.95Å; D589-K591 PolarHBondContact O-N 3.29Å; D589-N592 CarbonylContact O-C 3.54Å; D589-N592 WeakPolarHBondContact O-CA 3.46Å; D589-N592 WeakPolarHBondContact O-CB 3.38Å; D589-N592 PolarHBondContact O-N 2.9Å; D589-L593 PolarHBondContact O-N 3.46Å; D589-L593 VanDerWaalsContact O-N 3.17Å
590	I	79.8	Confident	84.3	Confident	15 Å²	15	56 Å²	56	8%	0.077	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-54.5	-38.9	-180	-57	-178.1	0	0	0	111.4	I564 I585 Y587 N592 L593 F620	I564-I590 HydrophobicContact CD1-CD1 3.56Å; I564-I590 HydrophobicContact CD1-CG1 4.49Å; I564-I590 HydrophobicContact CG1-CD1 4.18Å; I564-I590 HydrophobicContact CG2-CD1 4.38Å; I585-I590 HydrophobicContact CD1-CG1 3.78Å; I585-I590 HydrophobicContact CG1-CG1 4.43Å; Y587-I590 HydrophobicContact CD2-CD1 3.48Å; Y587-I590 VanDerWaalsContact CD2-CD1 3.48Å; Y587-I590 HydrophobicContact CE2-CD1 3.98Å; Y587-I590 HydrophobicContact CG-CD1 4.43Å; Y587-I590 WeakPolarHBondContact O-CG1 3.49Å; I590-N592 VanDerWaalsContact C-N 3.29Å; I590-N592 PolarHBondContact O-N 2.83Å; I590-L593 HydrophobicContact CG2-CD1 4.25Å; I590-L593 WeakPolarHBondContact O-CB 3.4Å; I590-L593 WeakPolarHBondContact O-CD1 3.42Å; I590-L593 WeakPolarHBondContact O-CG 3.37Å; I590-L593 PolarHBondContact O-N 3.11Å; I590-F620 HydrophobicContact CG2-CE2 4.21Å; I590-F620 HydrophobicContact CG2-CZ 3.76Å
591	K	79.6	Confident	84.4	Confident	82 Å²	82	55.5 Å²	55.5	36%	0.357	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-69	-29.2	177.8	-53.8	-173.3	-167.2	-170.4	0	112.5	N491 D589 R598 Y616	N491-K591 PolarHBondContact OD1-NZ 3Å; D589-K591 PolarHBondContact O-N 3.29Å; K591-R598 PolarHBondContact O-NH2 2.58Å; K591-Y616 HydrophobicContact CD-CE1 4.06Å; K591-Y616 HydrophobicContact CG-CE1 4.25Å; K591-Y616 PolarHBondContact NZ-OH 2.78Å
592	N	82.1	Confident	84.4	Confident	131 Å²	131	52.1 Å²	52.1	70%	0.701	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-90.8	-2.2	-175.7	-59.7	-15	0	0	0	112.5	D589 I590	D589-N592 CarbonylContact O-C 3.54Å; D589-N592 WeakPolarHBondContact O-CA 3.46Å; D589-N592 WeakPolarHBondContact O-CB 3.38Å; D589-N592 PolarHBondContact O-N 2.9Å; I590-N592 VanDerWaalsContact C-N 3.29Å; I590-N592 PolarHBondContact O-N 2.83Å
593	L	84	Confident	84.4	Confident	13 Å²	13	52 Å²	52	7%	0.068	27%	0.265	C	S	.	.	S	Bend	trans	-55.3	129.1	174.4	-76.6	170.1	0	0	0	111.2	I562 I585 D589 I590 I597 R598 F620	I562-L593 HydrophobicContact CD1-CD1 3.52Å; I562-L593 HydrophobicContact CD1-CD2 4.42Å; I585-L593 HydrophobicContact CD1-CD1 3.86Å; I585-L593 HydrophobicContact CD1-CD2 4.1Å; I585-L593 HydrophobicContact CD1-CG 4.21Å; I585-L593 HydrophobicContact CG2-CD2 4.22Å; D589-L593 PolarHBondContact O-N 3.46Å; D589-L593 VanDerWaalsContact O-N 3.17Å; I590-L593 HydrophobicContact CG2-CD1 4.25Å; I590-L593 WeakPolarHBondContact O-CB 3.4Å; I590-L593 WeakPolarHBondContact O-CD1 3.42Å; I590-L593 WeakPolarHBondContact O-CG 3.37Å; I590-L593 PolarHBondContact O-N 3.11Å; L593-I597 HydrophobicContact CD2-CG2 4.42Å; L593-R598 PolarHBondContact O-NE 3.23Å; L593-R598 PolarHBondContact O-NH2 3.04Å; L593-F620 HydrophobicContact CD1-CE1 4.07Å; L593-F620 HydrophobicContact CD1-CZ 4.13Å
594	P	85.1	Confident	84.4	Confident	63 Å²	63	50.1 Å²	50.1	41%	0.409	26%	0.255	S	S	.	.			trans	-53.8	138.2	170.9	-27.3	34.8	0	0	0	112.3	H596 I597 R598	P594-H596 PolarHBondContact O-N 2.95Å; P594-I597 HydrophobicContact CB-CG1 4.4Å; P594-I597 HydrophobicContact CG-CD1 4.29Å; P594-I597 WeakPolarHBondContact O-CB 3.32Å; P594-I597 PolarHBondContact O-N 3.32Å; P594-R598 PolarHBondContact O-N 3.07Å
595	E	82.8	Confident	84.4	Confident	89 Å²	89	48.1 Å²	48.1	42%	0.416	24%	0.242	S	C	.	.	H	α-helix	trans	-56.2	-37.6	-174.6	-171.9	61.9	-162	0	0	112.7	I597 R598 Q599	E595-I597 VanDerWaalsContact C-N 3.31Å; E595-I597 PolarHBondContact O-N 3.15Å; E595-R598 PolarHBondContact O-N 3.32Å; E595-R598 IonicContact OE2-CZ 3.23Å; E595-R598 VanDerWaalsContact OE2-CZ 3.23Å; E595-R598 IonicContact OE2-NE 3.65Å; E595-R598 IonicContact OE2-NH1 2.67Å; E595-R598 PolarHBondContact OE2-NH1 3.46Å; E595-Q599 HydrophobicContact CG-CG 4.32Å; E595-Q599 WeakPolarHBondContact O-CB 3.07Å; E595-Q599 WeakPolarHBondContact O-CG 3.49Å; E595-Q599 PolarHBondContact O-N 3.28Å; E595-Q599 WeakPolarHBondContact OE1-CG 3.41Å; E595-Q599 PolarHBondContact OE1-NE2 2.74Å
596	H	82.6	Confident	84.3	Confident	113 Å²	113	47.1 Å²	47.1	52%	0.523	24%	0.237	S	C	.	.	H	α-helix	trans	-66.7	-27.2	177.7	70.1	-100	0	0	0	113.8	P594 N600	P594-H596 PolarHBondContact O-N 2.95Å; H596-N600 PolarHBondContact O-ND2 3.35Å
597	I	85.1	Confident	84	Confident	20 Å²	20	44.4 Å²	44.4	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-77.4	-51.1	170.4	-61	-176.4	0	0	0	108.3	Y560 L583 L593 P594 E595 Q599 N600 V601	Y560-I597 HydrophobicContact CD2-CG2 4.07Å; Y560-I597 HydrophobicContact CE2-CB 4.49Å; Y560-I597 HydrophobicContact CE2-CG1 4.29Å; Y560-I597 HydrophobicContact CE2-CG2 4.42Å; Y560-I597 HydrophobicContact CG-CG2 4.21Å; L583-I597 HydrophobicContact CD1-CD1 4.09Å; L583-I597 HydrophobicContact CD1-CG2 3.44Å; L583-I597 VanDerWaalsContact CD1-CG2 3.44Å; L593-I597 HydrophobicContact CD2-CG2 4.42Å; P594-I597 HydrophobicContact CB-CG1 4.4Å; P594-I597 HydrophobicContact CG-CD1 4.29Å; P594-I597 WeakPolarHBondContact O-CB 3.32Å; P594-I597 PolarHBondContact O-N 3.32Å; E595-I597 VanDerWaalsContact C-N 3.31Å; E595-I597 PolarHBondContact O-N 3.15Å; I597-Q599 VanDerWaalsContact C-N 3.31Å; I597-Q599 PolarHBondContact O-N 3.32Å; I597-N600 CarbonylContact O-C 3.55Å; I597-N600 WeakPolarHBondContact O-CA 3.19Å; I597-N600 PolarHBondContact O-N 2.74Å; I597-V601 WeakPolarHBondContact O-CG2 3.5Å; I597-V601 PolarHBondContact O-N 2.84Å; I597-V601 VanDerWaalsContact O-N 3.16Å
598	R	84.9	Confident	83.6	Confident	47 Å²	47	44.1 Å²	44.1	18%	0.177	23%	0.226	C	C	.	.	H	α-helix	trans	-54.4	-43.8	-174.8	-159.9	-169.7	-56.5	163.5	-8.8	112.7	K591 L593 P594 E595 N600 Y619 F620	K591-R598 PolarHBondContact O-NH2 2.58Å; L593-R598 PolarHBondContact O-NE 3.23Å; L593-R598 PolarHBondContact O-NH2 3.04Å; P594-R598 PolarHBondContact O-N 3.07Å; E595-R598 PolarHBondContact O-N 3.32Å; E595-R598 IonicContact OE2-CZ 3.23Å; E595-R598 VanDerWaalsContact OE2-CZ 3.23Å; E595-R598 IonicContact OE2-NE 3.65Å; E595-R598 IonicContact OE2-NH1 2.67Å; E595-R598 PolarHBondContact OE2-NH1 3.46Å; R598-N600 VanDerWaalsContact C-N 3.31Å; R598-N600 PolarHBondContact O-N 3.39Å; R598-Y619 WeakPolarHBondContact CD-O 3.5Å; R598-Y619 WeakPolarHBondContact CG-O 3.49Å; R598-F620 HydrophobicContact CG-CD1 3.8Å; R598-F620 HydrophobicContact CG-CE1 3.61Å; R598-F620 HydrophobicContact CG-CG 4.38Å; R598-F620 HydrophobicContact CG-CZ 4.06Å; R598-F620 VanDerWaalsContact O-CD1 3.32Å; R598-F620 WeakPolarHBondContact O-CD1 3.39Å
599	Q	84.5	Confident	83	Confident	82 Å²	82	44.3 Å²	44.3	38%	0.383	22%	0.218	S	C	.	.	H	α-helix	trans	-66.4	-31.8	176.8	-70.5	179.4	3.3	0	0	112.9	E595 I597 S621 F622	E595-Q599 HydrophobicContact CG-CG 4.32Å; E595-Q599 WeakPolarHBondContact O-CB 3.07Å; E595-Q599 WeakPolarHBondContact O-CG 3.49Å; E595-Q599 PolarHBondContact O-N 3.28Å; E595-Q599 WeakPolarHBondContact OE1-CG 3.41Å; E595-Q599 PolarHBondContact OE1-NE2 2.74Å; I597-Q599 VanDerWaalsContact C-N 3.31Å; I597-Q599 PolarHBondContact O-N 3.32Å; Q599-S621 VanDerWaalsContact CA-OG 3.24Å; Q599-S621 WeakPolarHBondContact CA-OG 3.42Å; Q599-S621 WeakPolarHBondContact CB-OG 3.29Å; Q599-S621 PolarHBondContact O-OG 3.44Å; Q599-F622 WeakPolarHBondContact O-CB 3.43Å; Q599-F622 WeakPolarHBondContact O-CD2 3.46Å; Q599-F622 PolarHBondContact O-N 3.36Å
600	N	86.5	Confident	82.4	Confident	37 Å²	37	42.9 Å²	42.9	20%	0.198	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	9.9	-173.5	-71.4	-60.6	0	0	0	115.4	V558 Y560 H596 I597 R598 S602	V558-N600 WeakPolarHBondContact O-CB 3.47Å; Y560-N600 HydrophobicContact CD2-CB 4.01Å; Y560-N600 HydrophobicContact CE2-CB 4.29Å; Y560-N600 PolarHBondContact N-O 3.27Å; Y560-N600 VanDerWaalsContact N-O 3.08Å; H596-N600 PolarHBondContact O-ND2 3.35Å; I597-N600 CarbonylContact O-C 3.55Å; I597-N600 WeakPolarHBondContact O-CA 3.19Å; I597-N600 PolarHBondContact O-N 2.74Å; R598-N600 VanDerWaalsContact C-N 3.31Å; R598-N600 PolarHBondContact O-N 3.39Å; N600-S602 PolarHBondContact O-N 3.43Å
601	V	89.8	Confident	81.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	123.2	170.8	-172.8	0	0	0	0	109.6	Y560 I562 I597 D603 F620 F622 L623	Y560-V601 WeakPolarHBondContact O-CA 3.29Å; I562-V601 HydrophobicContact CB-CG1 4.32Å; I562-V601 HydrophobicContact CD1-CB 4.46Å; I562-V601 HydrophobicContact CD1-CG1 4.11Å; I562-V601 HydrophobicContact CD1-CG2 3.47Å; I562-V601 VanDerWaalsContact CD1-CG2 3.47Å; I562-V601 HydrophobicContact CG1-CG1 4.02Å; I562-V601 HydrophobicContact CG1-CG2 4Å; I597-V601 WeakPolarHBondContact O-CG2 3.5Å; I597-V601 PolarHBondContact O-N 2.84Å; I597-V601 VanDerWaalsContact O-N 3.16Å; V601-D603 WeakPolarHBondContact CG1-O 3.41Å; V601-F620 HydrophobicContact CB-CD1 3.96Å; V601-F620 HydrophobicContact CB-CE1 4.49Å; V601-F620 HydrophobicContact CG2-CD1 3.77Å; V601-F620 HydrophobicContact CG2-CE1 3.9Å; V601-F622 CarbonylContact O-C 3.52Å; V601-L623 HydrophobicContact CG1-CD1 4.4Å; V601-L623 WeakPolarHBondContact O-CA 3.46Å; V601-L623 PolarHBondContact O-N 3.03Å; V601-L623 VanDerWaalsContact O-N 3.11Å
602	S	88.9	Confident	81.4	Confident	4 Å²	4	45.3 Å²	45.3	3%	0.028	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-34.3	176	70.1	0	0	0	0	113	Y560 I580 N600 K624	Y560-S602 PolarHBondContact O-N 3.48Å; I580-S602 VanDerWaalsContact CD1-OG 3.3Å; I580-S602 WeakPolarHBondContact CD1-OG 3.26Å; N600-S602 PolarHBondContact O-N 3.43Å; S602-K624 PolarHBondContact O-N 3.31Å
603	D	90.7	Very high	80.9	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.1	-172	-61.4	-111.7	0	0	0	109.9	V561 I562 V601 N625 Y627 L926 L930	V561-D603 WeakPolarHBondContact CA-O 3.38Å; V561-D603 HydrophobicContact CG1-CB 4.12Å; V561-D603 WeakPolarHBondContact CG1-O 3.36Å; V561-D603 HydrophobicContact CG2-CB 4.06Å; I562-D603 PolarHBondContact N-O 3.32Å; I562-D603 VanDerWaalsContact N-O 3.09Å; V601-D603 WeakPolarHBondContact CG1-O 3.41Å; D603-N625 WeakPolarHBondContact CA-O 3.27Å; D603-N625 VanDerWaalsContact OD1-CB 3.31Å; D603-N625 WeakPolarHBondContact OD1-CB 3.47Å; D603-N625 PolarHBondContact OD1-ND2 3.47Å; D603-Y627 HydrophobicContact CB-CE2 3.97Å; D603-Y627 VanDerWaalsContact OD1-CE2 3.29Å; D603-Y627 WeakPolarHBondContact OD1-CE2 3.2Å; D603-Y627 PolarHBondContact OD1-OH 3.46Å; D603-L926 HydrophobicContact CB-CD1 3.94Å; D603-L930 WeakPolarHBondContact OD2-CD2 3.49Å
604	M	89.9	Confident	80.4	Confident	1 Å²	1	42 Å²	42	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.7	177.9	-178	179.7	-77	0	0	110.9	I562 I564 L612 F620 L623 N625 I626 Y627	I562-M604 HydrophobicContact CB-CG 4.48Å; I562-M604 HydrophobicContact CG2-CE 4.28Å; I562-M604 HydrophobicContact CG2-CG 4.29Å; I562-M604 CarbonylContact O-C 3.48Å; I562-M604 WeakPolarHBondContact O-CA 3.37Å; I564-M604 HydrophobicContact CD1-CE 4.14Å; I564-M604 HydrophobicContact CD1-CG 3.75Å; I564-M604 HydrophobicContact CD1-SD 3.53Å; I564-M604 VanDerWaalsContact CD1-SD 3.53Å; M604-L612 HydrophobicContact SD-CD1 4.2Å; M604-F620 HydrophobicContact CE-CE1 4.22Å; M604-F620 HydrophobicContact CE-CE2 4.23Å; M604-F620 HydrophobicContact CE-CZ 3.96Å; M604-L623 HydrophobicContact CB-CD1 3.89Å; M604-N625 PolarHBondContact N-O 3.03Å; M604-I626 HydrophobicContact CB-CG1 4.41Å; M604-I626 CarbonylContact O-C 3.53Å; M604-I626 WeakPolarHBondContact O-CA 3.32Å; M604-Y627 PolarHBondContact O-N 3.46Å
605	V	88.6	Confident	79.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.8	-176.8	-174.5	0	0	0	0	109.3	V561 I562 F563 I564 Y607 Y627 I922	V561-V605 HydrophobicContact CG1-CG2 4.05Å; I562-V605 PolarHBondContact O-N 2.89Å; F563-V605 WeakPolarHBondContact CA-O 3.45Å; F563-V605 HydrophobicContact CD1-CB 3.58Å; F563-V605 HydrophobicContact CD1-CG1 3.81Å; F563-V605 HydrophobicContact CD1-CG2 3.87Å; F563-V605 HydrophobicContact CE1-CB 3.85Å; F563-V605 HydrophobicContact CE1-CG1 3.98Å; F563-V605 HydrophobicContact CE1-CG2 3.62Å; F563-V605 HydrophobicContact CG-CB 4.28Å; F563-V605 HydrophobicContact CZ-CG2 4.1Å; I564-V605 PolarHBondContact N-O 3.45Å; V605-Y607 HydrophobicContact CG1-CD2 4.49Å; V605-Y607 HydrophobicContact CG1-CE2 4Å; V605-Y627 WeakPolarHBondContact CA-O 3.29Å; V605-Y627 HydrophobicContact CG2-CD2 4.23Å; V605-Y627 HydrophobicContact CG2-CG 4.48Å; V605-I922 HydrophobicContact CG1-CG2 3.7Å
606	T	84.6	Confident	79.6	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.2	-177.8	58.1	0	0	0	0	112.2	I564 I610 Y627 I628 P629	I564-T606 HydrophobicContact CD1-CG2 4Å; T606-I610 HydrophobicContact CG2-CD1 4.07Å; T606-Y627 PolarHBondContact N-O 3.5Å; T606-Y627 VanDerWaalsContact N-O 3.11Å; T606-I628 WeakPolarHBondContact OG1-CG1 3.41Å; T606-P629 WeakPolarHBondContact O-CD 3.16Å
607	Y	76.3	Confident	79.5	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.008	20%	0.197	C	C	.	.	S	Bend	trans	-99.4	5.5	174	-71.4	-78.1	0	0	0	113.8	F563 I564 I566 V605 P629 L632 V913 L918 R919 I922	F563-Y607 AromaticContact CD1-CE2 3.99Å; F563-Y607 HydrophobicContact CD1-CE2 3.99Å; I564-Y607 PolarHBondContact O-N 3.47Å; I566-Y607 HydrophobicContact CB-CD2 4.36Å; I566-Y607 HydrophobicContact CD1-CD2 4.32Å; I566-Y607 HydrophobicContact CD1-CE2 3.94Å; I566-Y607 HydrophobicContact CG1-CD2 4.04Å; I566-Y607 HydrophobicContact CG1-CE2 4.18Å; I566-Y607 HydrophobicContact CG2-CD2 3.52Å; I566-Y607 HydrophobicContact CG2-CE2 3.9Å; I566-Y607 HydrophobicContact CG2-CG 3.86Å; V605-Y607 HydrophobicContact CG1-CD2 4.49Å; V605-Y607 HydrophobicContact CG1-CE2 4Å; Y607-P629 HydrophobicContact CD1-CG 4.46Å; Y607-L632 WeakPolarHBondContact O-CD1 3.48Å; Y607-V913 HydrophobicContact CD1-CG1 4.3Å; Y607-V913 WeakPolarHBondContact O-CG1 3.3Å; Y607-L918 HydrophobicContact CE1-CD2 4.41Å; Y607-L918 HydrophobicContact CE1-CG 4.43Å; Y607-R919 HydrophobicContact CE1-CG 3.95Å; Y607-R919 WeakPolarHBondContact OH-CA 3.48Å; Y607-I922 HydrophobicContact CD1-CD1 4.4Å; Y607-I922 HydrophobicContact CE1-CD1 3.47Å; Y607-I922 VanDerWaalsContact CE1-CD1 3.47Å
608	Q	70.6	Confident	79.2	Confident	81 Å²	81	44.4 Å²	44.4	38%	0.379	22%	0.221	S	C	.	.	S	Bend	trans	-128.3	155.6	177	-66.9	172.1	4.9	0	0	109.9	G565 I610	G565-Q608 PolarHBondContact O-NE2 2.93Å; Q608-I610 HydrophobicContact CB-CD1 4.2Å; Q608-I610 HydrophobicContact CB-CG1 4.13Å; Q608-I610 PolarHBondContact O-N 2.65Å; Q608-I610 VanDerWaalsContact O-N 3.16Å
609	E	65	Low	79	Confident	80 Å²	80	48.4 Å²	48.4	37%	0.374	24%	0.237	S	C	.	.			trans	-69.8	108.8	170.9	-64.8	-155.5	143.9	0	0	109.1	L632 R883	E609-L632 HydrophobicContact CG-CB 4.28Å; E609-L632 HydrophobicContact CG-CD2 3.6Å; E609-R883 IonicContact OE1-CZ 3.43Å; E609-R883 IonicContact OE1-NE 2.87Å; E609-R883 PolarHBondContact OE1-NE 3.42Å; E609-R883 VanDerWaalsContact OE1-NE 3.1Å; E609-R883 IonicContact OE1-NH2 3.77Å; E609-R883 PolarHBondContact OE1-NH2 3.02Å
610	I	68.5	Low	79	Confident	34 Å²	34	45.2 Å²	45.2	17%	0.174	22%	0.222	C	C	.	.			trans	-125.9	131.8	-173.2	-66.1	166.1	0	0	0	109.5	I564 Y587 T606 Q608 L612	I564-I610 HydrophobicContact CB-CD1 4.21Å; I564-I610 HydrophobicContact CG2-CD1 3.54Å; Y587-I610 HydrophobicContact CD2-CB 4.47Å; Y587-I610 HydrophobicContact CD2-CD1 4.01Å; Y587-I610 HydrophobicContact CD2-CG1 4.15Å; Y587-I610 HydrophobicContact CD2-CG2 3.45Å; Y587-I610 VanDerWaalsContact CD2-CG2 3.45Å; Y587-I610 HydrophobicContact CE2-CG2 3.22Å; Y587-I610 HydrophobicContact CG-CD1 4.39Å; Y587-I610 HydrophobicContact CG-CG1 4.4Å; Y587-I610 HydrophobicContact CG-CG2 4.31Å; T606-I610 HydrophobicContact CG2-CD1 4.07Å; Q608-I610 HydrophobicContact CB-CD1 4.2Å; Q608-I610 HydrophobicContact CB-CG1 4.13Å; Q608-I610 PolarHBondContact O-N 2.65Å; Q608-I610 VanDerWaalsContact O-N 3.16Å; I610-L612 HydrophobicContact CG2-CD2 3.64Å; I610-L612 HydrophobicContact CG2-CG 3.85Å; I610-L612 PolarHBondContact O-N 2.9Å
611	V	67.5	Low	78.7	Confident	126 Å²	126	47.1 Å²	47.1	76%	0.764	24%	0.238	S	C	*	.			trans	-88.7	90.5	170.9	-176.2	0	0	0	0	109	S613	V611-S613 PolarHBondContact O-N 3.44Å
612	L	71.3	Confident	78.5	Confident	22 Å²	22	52 Å²	52	12%	0.115	26%	0.26	C	S	.	.			trans	-78.9	106.3	171.1	-61.5	173.4	0	0	0	108.9	Y587 M604 I610 L617 I626	Y587-L612 HydrophobicContact CE2-CD2 4.29Å; M604-L612 HydrophobicContact SD-CD1 4.2Å; I610-L612 HydrophobicContact CG2-CD2 3.64Å; I610-L612 HydrophobicContact CG2-CG 3.85Å; I610-L612 PolarHBondContact O-N 2.9Å; L612-L617 HydrophobicContact CB-CD1 4.12Å; L612-L617 HydrophobicContact CB-CD2 4.3Å; L612-L617 HydrophobicContact CB-CG 4.25Å; L612-L617 HydrophobicContact CD1-CD2 4.29Å; L612-I626 HydrophobicContact CD1-CD1 4.08Å
613	S	71.8	Confident	78.4	Confident	34 Å²	34	52.4 Å²	52.4	24%	0.238	26%	0.262	C	S	.	.			trans	-75.3	155.7	173.2	81	0	0	0	0	111.4	V611 E615 Y616 L617	V611-S613 PolarHBondContact O-N 3.44Å; S613-E615 PolarHBondContact O-N 3.4Å; S613-Y616 PolarHBondContact O-N 3.37Å; S613-Y616 WeakPolarHBondContact OG-CD2 3.49Å; S613-Y616 PolarHBondContact OG-N 3.4Å; S613-L617 WeakPolarHBondContact O-CG 3.28Å; S613-L617 PolarHBondContact O-N 3.18Å
614	V	73.9	Confident	78.2	Confident	41 Å²	41	57.3 Å²	57.3	25%	0.248	28%	0.283	C	S	.	.	H	α-helix	trans	-52.1	-41.6	174.9	177.3	0	0	0	0	111.8	Y616 L617 Q618 E640 L644	V614-Y616 PolarHBondContact O-N 2.85Å; V614-L617 PolarHBondContact O-N 2.98Å; V614-Q618 HydrophobicContact CG1-CG 4.5Å; V614-Q618 WeakPolarHBondContact O-CG 3.03Å; V614-Q618 PolarHBondContact O-N 2.86Å; V614-E640 HydrophobicContact CG2-CB 3.75Å; V614-E640 HydrophobicContact CG2-CG 4.18Å; V614-E640 WeakPolarHBondContact CG2-OE2 3.42Å; V614-L644 HydrophobicContact CG1-CD1 4.18Å; V614-L644 HydrophobicContact CG1-CD2 4.16Å; V614-L644 HydrophobicContact CG1-CG 4.4Å
615	E	73.2	Confident	78.2	Confident	134 Å²	134	57.9 Å²	57.9	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-60.8	-44.9	-179.9	-59.3	173.8	156.2	0	0	111.9	S613 L617 Q618 Y619	S613-E615 PolarHBondContact O-N 3.4Å; E615-L617 VanDerWaalsContact C-N 3.29Å; E615-L617 PolarHBondContact O-N 2.96Å; E615-Q618 PolarHBondContact O-N 3.31Å; E615-Y619 WeakPolarHBondContact O-CD2 3.46Å; E615-Y619 WeakPolarHBondContact O-CE2 3.21Å
616	Y	76.8	Confident	78.1	Confident	64 Å²	64	57.9 Å²	57.9	25%	0.251	29%	0.286	S	S	.	.	H	α-helix	trans	-68.4	-29	177.6	-70.8	-63.2	0	0	0	113.1	K591 S613 V614 Y619 F620	K591-Y616 HydrophobicContact CD-CE1 4.06Å; K591-Y616 HydrophobicContact CG-CE1 4.25Å; K591-Y616 PolarHBondContact NZ-OH 2.78Å; S613-Y616 PolarHBondContact O-N 3.37Å; S613-Y616 WeakPolarHBondContact OG-CD2 3.49Å; S613-Y616 PolarHBondContact OG-N 3.4Å; V614-Y616 PolarHBondContact O-N 2.85Å; Y616-Y619 HydrophobicContact CD1-CD2 4.34Å; Y616-Y619 AromaticContact CD1-CE2 3.95Å; Y616-Y619 HydrophobicContact CD1-CE2 3.95Å; Y616-Y619 WeakPolarHBondContact O-CD2 3.49Å; Y616-F620 WeakPolarHBondContact O-CD2 3.46Å; Y616-F620 WeakPolarHBondContact O-CE2 3.22Å
617	L	80.4	Confident	78.2	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-79.1	-27.5	179.6	-67.4	172.3	0	0	0	112.8	L612 S613 V614 E615 Y619 F620 L623 I626 L641 L644 I646	L612-L617 HydrophobicContact CB-CD1 4.12Å; L612-L617 HydrophobicContact CB-CD2 4.3Å; L612-L617 HydrophobicContact CB-CG 4.25Å; L612-L617 HydrophobicContact CD1-CD2 4.29Å; S613-L617 WeakPolarHBondContact O-CG 3.28Å; S613-L617 PolarHBondContact O-N 3.18Å; V614-L617 PolarHBondContact O-N 2.98Å; E615-L617 VanDerWaalsContact C-N 3.29Å; E615-L617 PolarHBondContact O-N 2.96Å; L617-Y619 PolarHBondContact O-N 3.3Å; L617-F620 PolarHBondContact O-N 3.13Å; L617-L623 HydrophobicContact CD2-CD2 3.94Å; L617-I626 HydrophobicContact CD1-CD1 4.49Å; L617-I626 HydrophobicContact CD2-CD1 3.98Å; L617-L641 HydrophobicContact CD1-CD2 3.39Å; L617-L644 HydrophobicContact CB-CD1 3.65Å; L617-L644 HydrophobicContact CD1-CD1 4.17Å; L617-I646 HydrophobicContact CB-CD1 4.19Å; L617-I646 HydrophobicContact CD1-CD1 4.42Å
618	Q	79.7	Confident	78.3	Confident	132 Å²	132	59.2 Å²	59.2	62%	0.617	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.1	174.5	-75.9	174.3	3.1	0	0	113.6	V614 E615 F620 L644	V614-Q618 HydrophobicContact CG1-CG 4.5Å; V614-Q618 WeakPolarHBondContact O-CG 3.03Å; V614-Q618 PolarHBondContact O-N 2.86Å; E615-Q618 PolarHBondContact O-N 3.31Å; Q618-F620 VanDerWaalsContact C-N 3.26Å; Q618-F620 PolarHBondContact O-N 2.72Å; Q618-L644 HydrophobicContact CG-CD2 3.96Å
619	Y	80.3	Confident	78.5	Confident	130 Å²	130	55.3 Å²	55.3	51%	0.51	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.4	174.9	-55.5	-58.1	0	0	0	114.6	R598 E615 Y616 L617	R598-Y619 WeakPolarHBondContact CD-O 3.5Å; R598-Y619 WeakPolarHBondContact CG-O 3.49Å; E615-Y619 WeakPolarHBondContact O-CD2 3.46Å; E615-Y619 WeakPolarHBondContact O-CE2 3.21Å; Y616-Y619 HydrophobicContact CD1-CD2 4.34Å; Y616-Y619 AromaticContact CD1-CE2 3.95Å; Y616-Y619 HydrophobicContact CD1-CE2 3.95Å; Y616-Y619 WeakPolarHBondContact O-CD2 3.49Å; L617-Y619 PolarHBondContact O-N 3.3Å
620	F	85.1	Confident	78.5	Confident	16 Å²	16	53 Å²	53	7%	0.07	26%	0.263	C	S	.	.			trans	-110.3	90.6	-176.5	-65.1	-88.8	0	0	0	112.4	I562 I590 L593 R598 V601 M604 Y616 L617 Q618 F622 L623	I562-F620 HydrophobicContact CD1-CE1 4.18Å; I590-F620 HydrophobicContact CG2-CE2 4.21Å; I590-F620 HydrophobicContact CG2-CZ 3.76Å; L593-F620 HydrophobicContact CD1-CE1 4.07Å; L593-F620 HydrophobicContact CD1-CZ 4.13Å; R598-F620 HydrophobicContact CG-CD1 3.8Å; R598-F620 HydrophobicContact CG-CE1 3.61Å; R598-F620 HydrophobicContact CG-CG 4.38Å; R598-F620 HydrophobicContact CG-CZ 4.06Å; R598-F620 VanDerWaalsContact O-CD1 3.32Å; R598-F620 WeakPolarHBondContact O-CD1 3.39Å; V601-F620 HydrophobicContact CB-CD1 3.96Å; V601-F620 HydrophobicContact CB-CE1 4.49Å; V601-F620 HydrophobicContact CG2-CD1 3.77Å; V601-F620 HydrophobicContact CG2-CE1 3.9Å; M604-F620 HydrophobicContact CE-CE1 4.22Å; M604-F620 HydrophobicContact CE-CE2 4.23Å; M604-F620 HydrophobicContact CE-CZ 3.96Å; Y616-F620 WeakPolarHBondContact O-CD2 3.46Å; Y616-F620 WeakPolarHBondContact O-CE2 3.22Å; L617-F620 PolarHBondContact O-N 3.13Å; Q618-F620 VanDerWaalsContact C-N 3.26Å; Q618-F620 PolarHBondContact O-N 2.72Å; F620-F622 VanDerWaalsContact C-N 3.31Å; F620-F622 PolarHBondContact O-N 3.29Å; F620-L623 HydrophobicContact CB-CB 3.67Å; F620-L623 HydrophobicContact CB-CD2 4.08Å; F620-L623 HydrophobicContact CG-CD2 4.35Å; F620-L623 PolarHBondContact O-N 3.28Å
621	S	80.8	Confident	78.1	Confident	76 Å²	76	51.8 Å²	51.8	53%	0.531	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.4	-171.5	49.5	0	0	0	0	116.5	Q599	Q599-S621 VanDerWaalsContact CA-OG 3.24Å; Q599-S621 WeakPolarHBondContact CA-OG 3.42Å; Q599-S621 WeakPolarHBondContact CB-OG 3.29Å; Q599-S621 PolarHBondContact O-OG 3.44Å
622	F	84.5	Confident	78	Confident	103 Å²	103	46.3 Å²	46.3	45%	0.452	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	6.5	180	-69	-44.1	0	0	0	115.3	Q599 V601 F620 K624	Q599-F622 WeakPolarHBondContact O-CB 3.43Å; Q599-F622 WeakPolarHBondContact O-CD2 3.46Å; Q599-F622 PolarHBondContact O-N 3.36Å; V601-F622 CarbonylContact O-C 3.52Å; F620-F622 VanDerWaalsContact C-N 3.31Å; F620-F622 PolarHBondContact O-N 3.29Å; F622-K624 WeakPolarHBondContact O-CG 3.3Å; F622-K624 PolarHBondContact O-N 2.8Å
623	L	87.5	Confident	77.5	Confident	13 Å²	13	47 Å²	47	7%	0.068	23%	0.228	C	C	.	.			trans	-67.5	114.6	-178.3	178.3	62	0	0	0	111.1	V601 M604 L617 F620 N625 I626 I646	V601-L623 HydrophobicContact CG1-CD1 4.4Å; V601-L623 WeakPolarHBondContact O-CA 3.46Å; V601-L623 PolarHBondContact O-N 3.03Å; V601-L623 VanDerWaalsContact O-N 3.11Å; M604-L623 HydrophobicContact CB-CD1 3.89Å; L617-L623 HydrophobicContact CD2-CD2 3.94Å; F620-L623 HydrophobicContact CB-CB 3.67Å; F620-L623 HydrophobicContact CB-CD2 4.08Å; F620-L623 HydrophobicContact CG-CD2 4.35Å; F620-L623 PolarHBondContact O-N 3.28Å; L623-N625 WeakPolarHBondContact CD1-O 3.44Å; L623-I626 HydrophobicContact CD1-CG1 4.47Å; L623-I626 HydrophobicContact CD2-CD1 4.42Å; L623-I626 HydrophobicContact CD2-CG1 4.34Å; L623-I646 HydrophobicContact CD2-CD1 4.17Å; L623-I646 HydrophobicContact CG-CD1 4.44Å
624	K	86.3	Confident	76.7	Confident	107 Å²	107	48.2 Å²	48.2	47%	0.465	24%	0.237	S	C	.	.			trans	-110.2	-27.1	-175.4	-74	155.3	-172	164.7	0	113.6	S602 F622 N647	S602-K624 PolarHBondContact O-N 3.31Å; F622-K624 WeakPolarHBondContact O-CG 3.3Å; F622-K624 PolarHBondContact O-N 2.8Å; K624-N647 WeakPolarHBondContact O-CB 3.34Å; K624-N647 PolarHBondContact O-N 2.67Å; K624-N647 PolarHBondContact O-ND2 3.42Å
625	N	89	Confident	75.9	Confident	13 Å²	13	51.3 Å²	51.3	7%	0.07	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	138.8	-175.9	-51.7	-72	0	0	0	111.6	D603 M604 L623 Y627 N647 H649	D603-N625 WeakPolarHBondContact CA-O 3.27Å; D603-N625 VanDerWaalsContact OD1-CB 3.31Å; D603-N625 WeakPolarHBondContact OD1-CB 3.47Å; D603-N625 PolarHBondContact OD1-ND2 3.47Å; M604-N625 PolarHBondContact N-O 3.03Å; L623-N625 WeakPolarHBondContact CD1-O 3.44Å; N625-Y627 HydrophobicContact CB-CD2 4.31Å; N625-Y627 HydrophobicContact CB-CE2 3.54Å; N625-N647 CarbonylContact C-O 3.57Å; N625-N647 VanDerWaalsContact CA-O 3.24Å; N625-N647 WeakPolarHBondContact CA-O 3.23Å; N625-H649 PolarHBondContact OD1-NE2 3.25Å
626	I	87.7	Confident	74.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.2	164.1	-58.7	174.4	0	0	0	107.6	M604 L612 L617 L623 I628 L641 I646 N647 L648 H649	M604-I626 HydrophobicContact CB-CG1 4.41Å; M604-I626 CarbonylContact O-C 3.53Å; M604-I626 WeakPolarHBondContact O-CA 3.32Å; L612-I626 HydrophobicContact CD1-CD1 4.08Å; L617-I626 HydrophobicContact CD1-CD1 4.49Å; L617-I626 HydrophobicContact CD2-CD1 3.98Å; L623-I626 HydrophobicContact CD1-CG1 4.47Å; L623-I626 HydrophobicContact CD2-CD1 4.42Å; L623-I626 HydrophobicContact CD2-CG1 4.34Å; I626-I628 HydrophobicContact CG2-CD1 4.14Å; I626-I628 HydrophobicContact CG2-CG1 3.87Å; I626-L641 HydrophobicContact CD1-CD2 3.76Å; I626-I646 HydrophobicContact CD1-CG2 3.83Å; I626-I646 HydrophobicContact CG1-CG2 3.73Å; I626-N647 PolarHBondContact N-O 3.19Å; I626-L648 HydrophobicContact CB-CD1 4.21Å; I626-L648 HydrophobicContact CG2-CD1 4.21Å; I626-H649 PolarHBondContact O-N 2.9Å
627	Y	86.7	Confident	73.9	Confident	1 Å²	1	50 Å²	50	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.1	178.7	-60.9	-102.7	0	0	0	109.4	D603 M604 V605 T606 N625 H649 V651 F925 L926 N929	D603-Y627 HydrophobicContact CB-CE2 3.97Å; D603-Y627 VanDerWaalsContact OD1-CE2 3.29Å; D603-Y627 WeakPolarHBondContact OD1-CE2 3.2Å; D603-Y627 PolarHBondContact OD1-OH 3.46Å; M604-Y627 PolarHBondContact O-N 3.46Å; V605-Y627 WeakPolarHBondContact CA-O 3.29Å; V605-Y627 HydrophobicContact CG2-CD2 4.23Å; V605-Y627 HydrophobicContact CG2-CG 4.48Å; T606-Y627 PolarHBondContact N-O 3.5Å; T606-Y627 VanDerWaalsContact N-O 3.11Å; N625-Y627 HydrophobicContact CB-CD2 4.31Å; N625-Y627 HydrophobicContact CB-CE2 3.54Å; Y627-H649 WeakPolarHBondContact CA-O 3.46Å; Y627-H649 HydrophobicContact CD1-CB 3.67Å; Y627-H649 HydrophobicContact CE1-CB 3.97Å; Y627-H649 AromaticContact CE1-CG 3.86Å; Y627-H649 HydrophobicContact CG-CB 4.27Å; Y627-V651 HydrophobicContact CD1-CG2 4.16Å; Y627-F925 AromaticContact CD1-CD1 3.76Å; Y627-F925 HydrophobicContact CD1-CD1 3.76Å; Y627-F925 AromaticContact CD1-CE1 3.9Å; Y627-F925 HydrophobicContact CD1-CE1 3.9Å; Y627-F925 AromaticContact CE1-CD1 3.62Å; Y627-F925 HydrophobicContact CE1-CD1 3.62Å; Y627-F925 AromaticContact CE1-CE1 3.66Å; Y627-F925 HydrophobicContact CE1-CE1 3.66Å; Y627-L926 HydrophobicContact CD2-CD1 4.11Å; Y627-L926 HydrophobicContact CE1-CD1 4.4Å; Y627-L926 HydrophobicContact CE2-CD1 3.48Å; Y627-L926 VanDerWaalsContact CE2-CD1 3.48Å; Y627-N929 WeakPolarHBondContact OH-CB 3.48Å; Y627-N929 PolarHBondContact OH-ND2 3.49Å
628	I	78.9	Confident	73.2	Confident	31 Å²	31	53 Å²	53	16%	0.159	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127	-178.6	-51.9	-171	0	0	0	108.5	T606 I626 L632 L648 H649 I650 V651	T606-I628 WeakPolarHBondContact OG1-CG1 3.41Å; I626-I628 HydrophobicContact CG2-CD1 4.14Å; I626-I628 HydrophobicContact CG2-CG1 3.87Å; I628-L632 HydrophobicContact CG2-CB 3.81Å; I628-L648 HydrophobicContact CB-CD1 4.19Å; I628-L648 HydrophobicContact CD1-CD1 3.55Å; I628-L648 HydrophobicContact CD1-CD2 4.39Å; I628-L648 HydrophobicContact CG1-CD1 3.52Å; I628-H649 PolarHBondContact N-O 2.99Å; I628-I650 WeakPolarHBondContact O-CA 3.41Å; I628-V651 PolarHBondContact O-N 3.5Å
629	P	73.1	Confident	72.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	141.2	167.7	-23.5	32.3	0	0	0	111.3	T606 Y607 C631 L632 I922	T606-P629 WeakPolarHBondContact O-CD 3.16Å; Y607-P629 HydrophobicContact CD1-CG 4.46Å; P629-C631 PolarHBondContact O-N 3.44Å; P629-C631 VanDerWaalsContact O-N 3.11Å; P629-L632 HydrophobicContact CB-CD1 4.27Å; P629-L632 HydrophobicContact CB-CG 4.37Å; P629-L632 HydrophobicContact CG-CD1 3.93Å; P629-L632 PolarHBondContact O-N 3.19Å; P629-I922 HydrophobicContact CG-CD1 4Å
630	E	66.7	Low	72	Confident	31 Å²	31	50.2 Å²	50.2	15%	0.145	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-56.2	-33.6	-176.8	-168.4	174.5	149.3	0	0	113.9	L632 N633 I650 V651 P652 L653 S812 K816	E630-L632 PolarHBondContact O-N 3.41Å; E630-N633 WeakPolarHBondContact O-CB 3.36Å; E630-N633 PolarHBondContact O-N 3.05Å; E630-I650 HydrophobicContact CB-CG2 3.7Å; E630-I650 HydrophobicContact CG-CG2 3.87Å; E630-V651 PolarHBondContact N-O 3.13Å; E630-P652 WeakPolarHBondContact OE2-CA 3.14Å; E630-L653 HydrophobicContact CB-CB 4.24Å; E630-S812 VanDerWaalsContact OE1-CB 3.28Å; E630-S812 WeakPolarHBondContact OE1-CB 3.43Å; E630-S812 PolarHBondContact OE1-OG 2.9Å; E630-K816 WeakPolarHBondContact OE1-CE 3.24Å; E630-K816 IonicContact OE1-NZ 2.68Å; E630-K816 PolarHBondContact OE1-NZ 2.78Å; E630-K816 WeakPolarHBondContact OE2-CE 3.49Å; E630-K816 IonicContact OE2-NZ 3.33Å; E630-K816 PolarHBondContact OE2-NZ 2.92Å
631	C	59.2	Low	71.5	Confident	9 Å²	9	49.9 Å²	49.9	6%	0.061	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-70.9	-2	176	57.3	0	0	0	0	115.5	P629 L653 R883 Q912	P629-C631 PolarHBondContact O-N 3.44Å; P629-C631 VanDerWaalsContact O-N 3.11Å; C631-L653 HydrophobicContact CB-CD2 3.99Å; C631-R883 WeakPolarHBondContact O-CD 3.43Å; C631-R883 WeakPolarHBondContact O-CG 3.34Å; C631-R883 PolarHBondContact O-NE 2.86Å; C631-Q912 PolarHBondContact SG-OE1 2.91Å
632	L	64.2	Low	71.1	Confident	11 Å²	11	51.6 Å²	51.6	6%	0.058	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-118.3	3.2	177.3	-55.4	176.4	0	0	0	112.4	Y607 E609 I628 P629 E630 S634 R883 V913	Y607-L632 WeakPolarHBondContact O-CD1 3.48Å; E609-L632 HydrophobicContact CG-CB 4.28Å; E609-L632 HydrophobicContact CG-CD2 3.6Å; I628-L632 HydrophobicContact CG2-CB 3.81Å; P629-L632 HydrophobicContact CB-CD1 4.27Å; P629-L632 HydrophobicContact CB-CG 4.37Å; P629-L632 HydrophobicContact CG-CD1 3.93Å; P629-L632 PolarHBondContact O-N 3.19Å; E630-L632 PolarHBondContact O-N 3.41Å; L632-S634 PolarHBondContact O-N 2.95Å; L632-R883 VanDerWaalsContact C-NH2 3.33Å; L632-V913 HydrophobicContact CD2-CG2 4.48Å
633	N	62.1	Low	70.8	Confident	37 Å²	37	53.5 Å²	53.5	20%	0.198	27%	0.269	C	S	.	.			trans	-73.7	93.6	177.4	174	14	0	0	0	111.2	E630 W638 I650 R883	E630-N633 WeakPolarHBondContact O-CB 3.36Å; E630-N633 PolarHBondContact O-N 3.05Å; N633-W638 WeakPolarHBondContact OD1-CZ2 3.39Å; N633-W638 PolarHBondContact OD1-NE1 3.27Å; N633-I650 WeakPolarHBondContact ND2-CD1 3.43Å; N633-R883 PolarHBondContact O-NH1 3.03Å; N633-R883 PolarHBondContact O-NH2 2.58Å
634	S	54.8	Low	70.4	Confident	59 Å²	59	55.7 Å²	55.7	41%	0.413	28%	0.28	S	S	.	.			trans	-83.4	146.5	162	65	0	0	0	0	109.9	L632 N636	L632-S634 PolarHBondContact O-N 2.95Å; S634-N636 PolarHBondContact O-N 3.42Å
635	K	56.2	Low	70.2	Confident	105 Å²	105	53.1 Å²	53.1	46%	0.457	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	7.3	-166.9	-64.2	-166.7	-179.9	82.6	0	115.6	D857	K635-D857 IonicContact NZ-OD1 2.6Å; K635-D857 PolarHBondContact NZ-OD1 2.8Å; K635-D857 IonicContact NZ-OD2 3.22Å; K635-D857 PolarHBondContact NZ-OD2 3.04Å
636	N	52	Low	69.9	Low	140 Å²	140	53 Å²	53	75%	0.749	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-7.9	-149.6	-66.8	18.5	0	0	0	117	S634	S634-N636 PolarHBondContact O-N 3.42Å
637	C	56.9	Low	69.7	Low	32 Å²	32	56.6 Å²	56.6	22%	0.216	30%	0.302	C	S	.	.	S	Bend	trans	-123.8	14.8	-176.8	-157.6	0	0	0	0	114.1	D639 L641	C637-D639 PolarHBondContact O-N 2.78Å; C637-L641 HydrophobicContact CB-CD1 4.34Å; C637-L641 WeakPolarHBondContact O-CD1 3.27Å; C637-L641 VanDerWaalsContact O-CG 3.31Å; C637-L641 WeakPolarHBondContact O-CG 3.12Å; C637-L641 PolarHBondContact O-N 3.33Å
638	W	65.8	Low	69.5	Low	67 Å²	67	58.3 Å²	58.3	25%	0.254	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-30.8	-167.6	-81.2	98.1	0	0	0	116.3	N633 K642 L648 I650	N633-W638 WeakPolarHBondContact OD1-CZ2 3.39Å; N633-W638 PolarHBondContact OD1-NE1 3.27Å; W638-K642 WeakPolarHBondContact O-CD 3.35Å; W638-K642 WeakPolarHBondContact O-CE 3.34Å; W638-K642 WeakPolarHBondContact O-CG 3.23Å; W638-K642 PolarHBondContact O-NZ 3.38Å; W638-L648 HydrophobicContact CD2-CD2 4.03Å; W638-L648 HydrophobicContact CE3-CB 4.48Å; W638-L648 HydrophobicContact CE3-CD2 3.86Å; W638-L648 HydrophobicContact CE3-CG 4.37Å; W638-L648 HydrophobicContact CH2-CB 4.17Å; W638-L648 HydrophobicContact CH2-CD2 3.33Å; W638-L648 HydrophobicContact CH2-CG 3.42Å; W638-L648 VanDerWaalsContact CH2-CG 3.42Å; W638-L648 HydrophobicContact CZ2-CD2 3.52Å; W638-L648 HydrophobicContact CZ2-CG 4.09Å; W638-L648 HydrophobicContact CZ3-CB 3.83Å; W638-L648 HydrophobicContact CZ3-CD2 3.52Å; W638-L648 HydrophobicContact CZ3-CG 3.6Å; W638-I650 HydrophobicContact CH2-CD1 3.69Å; W638-I650 HydrophobicContact CH2-CG1 3.5Å; W638-I650 VanDerWaalsContact CH2-CG1 3.5Å; W638-I650 HydrophobicContact CZ2-CD1 3.84Å; W638-I650 HydrophobicContact CZ2-CG1 3.92Å
639	D	65.8	Low	69.6	Low	107 Å²	107	58.8 Å²	58.8	57%	0.572	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-28.7	-177.5	-67.3	-42.6	0	0	0	112.4	C637 K642 N643	C637-D639 PolarHBondContact O-N 2.78Å; D639-K642 PolarHBondContact O-N 3.47Å; D639-K642 IonicContact OD1-NZ 2.81Å; D639-K642 PolarHBondContact OD1-NZ 3.37Å; D639-N643 PolarHBondContact O-N 3.16Å; D639-N643 PolarHBondContact O-ND2 3.21Å
640	E	68.5	Low	69.7	Low	97 Å²	97	62 Å²	62	45%	0.453	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-44.6	172.9	-63.4	-174.7	170.5	0	0	111.9	V614 K642 N643 L644	V614-E640 HydrophobicContact CG2-CB 3.75Å; V614-E640 HydrophobicContact CG2-CG 4.18Å; V614-E640 WeakPolarHBondContact CG2-OE2 3.42Å; E640-K642 VanDerWaalsContact C-N 3.29Å; E640-K642 PolarHBondContact O-N 2.87Å; E640-N643 WeakPolarHBondContact O-CB 3.35Å; E640-N643 PolarHBondContact O-N 3Å; E640-N643 VanDerWaalsContact O-N 3.14Å; E640-L644 PolarHBondContact O-N 3.19Å
641	L	74	Confident	69.8	Low	8 Å²	8	60.6 Å²	60.6	4%	0.042	32%	0.323	C	S	.	.	H	α-helix	trans	-59.3	-37.2	175.4	-73.5	170.1	0	0	0	113.2	L617 I626 C637 N643 L644 G645 I646 L648	L617-L641 HydrophobicContact CD1-CD2 3.39Å; I626-L641 HydrophobicContact CD1-CD2 3.76Å; C637-L641 HydrophobicContact CB-CD1 4.34Å; C637-L641 WeakPolarHBondContact O-CD1 3.27Å; C637-L641 VanDerWaalsContact O-CG 3.31Å; C637-L641 WeakPolarHBondContact O-CG 3.12Å; C637-L641 PolarHBondContact O-N 3.33Å; L641-N643 VanDerWaalsContact C-N 3.33Å; L641-L644 PolarHBondContact O-N 2.75Å; L641-G645 PolarHBondContact O-N 2.67Å; L641-I646 HydrophobicContact CD2-CB 4.25Å; L641-I646 HydrophobicContact CD2-CD1 4.32Å; L641-I646 HydrophobicContact CD2-CG2 4.21Å; L641-I646 PolarHBondContact O-N 3.43Å; L641-L648 HydrophobicContact CD1-CB 4.08Å; L641-L648 HydrophobicContact CD1-CD2 3.64Å; L641-L648 HydrophobicContact CD1-CG 4.36Å
642	K	74.2	Confident	69.9	Low	112 Å²	112	63.6 Å²	63.6	49%	0.487	34%	0.342	S	S	.	.	H	α-helix	trans	-67.7	-35.3	177.9	-64.5	168.6	-165.8	142.1	0	111.6	W638 D639 E640 L644 G645	W638-K642 WeakPolarHBondContact O-CD 3.35Å; W638-K642 WeakPolarHBondContact O-CE 3.34Å; W638-K642 WeakPolarHBondContact O-CG 3.23Å; W638-K642 PolarHBondContact O-NZ 3.38Å; D639-K642 PolarHBondContact O-N 3.47Å; D639-K642 IonicContact OD1-NZ 2.81Å; D639-K642 PolarHBondContact OD1-NZ 3.37Å; E640-K642 VanDerWaalsContact C-N 3.29Å; E640-K642 PolarHBondContact O-N 2.87Å; K642-L644 VanDerWaalsContact C-N 3.27Å; K642-L644 PolarHBondContact O-N 3.41Å; K642-G645 PolarHBondContact O-N 3Å
643	N	76.9	Confident	69.7	Low	144 Å²	144	64.2 Å²	64.2	77%	0.77	35%	0.345	S	S	*	.	H	α-helix	trans	-67.7	-28.7	177.1	-64.2	-22.7	0	0	0	112	D639 E640 L641 G645	D639-N643 PolarHBondContact O-N 3.16Å; D639-N643 PolarHBondContact O-ND2 3.21Å; E640-N643 WeakPolarHBondContact O-CB 3.35Å; E640-N643 PolarHBondContact O-N 3Å; E640-N643 VanDerWaalsContact O-N 3.14Å; L641-N643 VanDerWaalsContact C-N 3.33Å; N643-G645 VanDerWaalsContact C-N 3.29Å
644	L	79.7	Confident	69.4	Low	59 Å²	59	68.1 Å²	68.1	31%	0.309	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.4	169.6	-64.2	179	0	0	0	113.8	V614 L617 Q618 E640 L641 K642 I646	V614-L644 HydrophobicContact CG1-CD1 4.18Å; V614-L644 HydrophobicContact CG1-CD2 4.16Å; V614-L644 HydrophobicContact CG1-CG 4.4Å; L617-L644 HydrophobicContact CB-CD1 3.65Å; L617-L644 HydrophobicContact CD1-CD1 4.17Å; Q618-L644 HydrophobicContact CG-CD2 3.96Å; E640-L644 PolarHBondContact O-N 3.19Å; L641-L644 PolarHBondContact O-N 2.75Å; K642-L644 VanDerWaalsContact C-N 3.27Å; K642-L644 PolarHBondContact O-N 3.41Å; L644-I646 VanDerWaalsContact C-N 3.26Å; L644-I646 HydrophobicContact CB-CD1 3.83Å; L644-I646 HydrophobicContact CB-CG1 3.89Å; L644-I646 HydrophobicContact CD1-CD1 3.9Å; L644-I646 PolarHBondContact O-N 3.04Å
645	G	81.1	Confident	69.6	Low	52 Å²	52	66.9 Å²	66.9	54%	0.536	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	9.4	-174.5	0	0	0	0	0	114.9	L641 K642 N643	L641-G645 PolarHBondContact O-N 2.67Å; K642-G645 PolarHBondContact O-N 3Å; N643-G645 VanDerWaalsContact C-N 3.29Å
646	I	83.8	Confident	70.2	Confident	11 Å²	11	64 Å²	64	6%	0.056	34%	0.34	C	S	.	.			trans	-85.3	127.6	-176.3	-57.7	173.7	0	0	0	109.9	L617 L623 I626 L641 L644	L617-I646 HydrophobicContact CB-CD1 4.19Å; L617-I646 HydrophobicContact CD1-CD1 4.42Å; L623-I646 HydrophobicContact CD2-CD1 4.17Å; L623-I646 HydrophobicContact CG-CD1 4.44Å; I626-I646 HydrophobicContact CD1-CG2 3.83Å; I626-I646 HydrophobicContact CG1-CG2 3.73Å; L641-I646 HydrophobicContact CD2-CB 4.25Å; L641-I646 HydrophobicContact CD2-CD1 4.32Å; L641-I646 HydrophobicContact CD2-CG2 4.21Å; L641-I646 PolarHBondContact O-N 3.43Å; L644-I646 VanDerWaalsContact C-N 3.26Å; L644-I646 HydrophobicContact CB-CD1 3.83Å; L644-I646 HydrophobicContact CB-CG1 3.89Å; L644-I646 HydrophobicContact CD1-CD1 3.9Å; L644-I646 PolarHBondContact O-N 3.04Å
647	N	84.3	Confident	71.1	Confident	76 Å²	76	58.6 Å²	58.6	41%	0.406	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.6	-179.9	-60.9	-90.9	0	0	0	110.4	K624 N625 I626 H649	K624-N647 WeakPolarHBondContact O-CB 3.34Å; K624-N647 PolarHBondContact O-N 2.67Å; K624-N647 PolarHBondContact O-ND2 3.42Å; N625-N647 CarbonylContact C-O 3.57Å; N625-N647 VanDerWaalsContact CA-O 3.24Å; N625-N647 WeakPolarHBondContact CA-O 3.23Å; I626-N647 PolarHBondContact N-O 3.19Å; N647-H649 PolarHBondContact O-CD2 3.02Å; N647-H649 VanDerWaalsContact O-CD2 3.32Å
648	L	81.1	Confident	72.1	Confident	36 Å²	36	59.3 Å²	59.3	19%	0.188	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	113.2	174.6	178.3	50.2	0	0	0	111.1	I626 I628 W638 L641	I626-L648 HydrophobicContact CB-CD1 4.21Å; I626-L648 HydrophobicContact CG2-CD1 4.21Å; I628-L648 HydrophobicContact CB-CD1 4.19Å; I628-L648 HydrophobicContact CD1-CD1 3.55Å; I628-L648 HydrophobicContact CD1-CD2 4.39Å; I628-L648 HydrophobicContact CG1-CD1 3.52Å; W638-L648 HydrophobicContact CD2-CD2 4.03Å; W638-L648 HydrophobicContact CE3-CB 4.48Å; W638-L648 HydrophobicContact CE3-CD2 3.86Å; W638-L648 HydrophobicContact CE3-CG 4.37Å; W638-L648 HydrophobicContact CH2-CB 4.17Å; W638-L648 HydrophobicContact CH2-CD2 3.33Å; W638-L648 HydrophobicContact CH2-CG 3.42Å; W638-L648 VanDerWaalsContact CH2-CG 3.42Å; W638-L648 HydrophobicContact CZ2-CD2 3.52Å; W638-L648 HydrophobicContact CZ2-CG 4.09Å; W638-L648 HydrophobicContact CZ3-CB 3.83Å; W638-L648 HydrophobicContact CZ3-CD2 3.52Å; W638-L648 HydrophobicContact CZ3-CG 3.6Å; L641-L648 HydrophobicContact CD1-CB 4.08Å; L641-L648 HydrophobicContact CD1-CD2 3.64Å; L641-L648 HydrophobicContact CD1-CG 4.36Å
649	H	81.1	Confident	72.5	Confident	42 Å²	42	61 Å²	61	19%	0.194	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	108.1	176	-61.3	-105.2	0	0	0	110	N625 I626 Y627 I628 N647 V651 F925 N929	N625-H649 PolarHBondContact OD1-NE2 3.25Å; I626-H649 PolarHBondContact O-N 2.9Å; Y627-H649 WeakPolarHBondContact CA-O 3.46Å; Y627-H649 HydrophobicContact CD1-CB 3.67Å; Y627-H649 HydrophobicContact CE1-CB 3.97Å; Y627-H649 AromaticContact CE1-CG 3.86Å; Y627-H649 HydrophobicContact CG-CB 4.27Å; I628-H649 PolarHBondContact N-O 2.99Å; N647-H649 PolarHBondContact O-CD2 3.02Å; N647-H649 VanDerWaalsContact O-CD2 3.32Å; H649-V651 PolarHBondContact O-N 2.82Å; H649-F925 HydrophobicContact CB-CE1 4.1Å; H649-F925 AromaticContact ND1-CE1 3.93Å; H649-N929 PolarHBondContact CE1-ND2 2.92Å; H649-N929 PolarHBondContact ND1-ND2 3.26Å
650	I	74.5	Confident	73	Confident	66 Å²	66	56 Å²	56	34%	0.338	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	118.8	162.9	-47.7	178.8	0	0	0	107.4	I628 E630 N633 W638 P652	I628-I650 WeakPolarHBondContact O-CA 3.41Å; E630-I650 HydrophobicContact CB-CG2 3.7Å; E630-I650 HydrophobicContact CG-CG2 3.87Å; N633-I650 WeakPolarHBondContact ND2-CD1 3.43Å; W638-I650 HydrophobicContact CH2-CD1 3.69Å; W638-I650 HydrophobicContact CH2-CG1 3.5Å; W638-I650 VanDerWaalsContact CH2-CG1 3.5Å; W638-I650 HydrophobicContact CZ2-CD1 3.84Å; W638-I650 HydrophobicContact CZ2-CG1 3.92Å; I650-P652 WeakPolarHBondContact O-CD 3.48Å
651	V	70.2	Confident	73.7	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	114	167.5	-173.9	0	0	0	0	107.4	Y627 I628 E630 H649 L653 I922 F925	Y627-V651 HydrophobicContact CD1-CG2 4.16Å; I628-V651 PolarHBondContact O-N 3.5Å; E630-V651 PolarHBondContact N-O 3.13Å; H649-V651 PolarHBondContact O-N 2.82Å; V651-L653 PolarHBondContact O-N 2.82Å; V651-I922 HydrophobicContact CB-CG1 4.09Å; V651-I922 HydrophobicContact CG1-CG1 3.78Å; V651-I922 HydrophobicContact CG2-CG1 4.16Å; V651-F925 HydrophobicContact CG2-CD1 3.96Å; V651-F925 HydrophobicContact CG2-CE1 4.34Å
652	P	61.7	Low	74.1	Confident	71 Å²	71	55.1 Å²	55.1	46%	0.461	30%	0.295	S	S	.	.			trans	-64.6	130.2	-176	26.5	-34.1	0	0	0	110	E630 I650 E654	E630-P652 WeakPolarHBondContact OE2-CA 3.14Å; I650-P652 WeakPolarHBondContact O-CD 3.48Å; P652-E654 PolarHBondContact O-N 3.36Å
653	L	58.6	Low	74.5	Confident	25 Å²	25	51.9 Å²	51.9	13%	0.131	28%	0.281	C	S	.	.			trans	-85.5	100.5	179.6	-167.9	83.8	0	0	0	109.6	E630 C631 V651 L655 Q912 L918	E630-L653 HydrophobicContact CB-CB 4.24Å; C631-L653 HydrophobicContact CB-CD2 3.99Å; V651-L653 PolarHBondContact O-N 2.82Å; L653-L655 HydrophobicContact CD2-CD1 3.78Å; L653-L655 HydrophobicContact CD2-CG 3.84Å; L653-L655 HydrophobicContact CG-CD1 4.47Å; L653-L655 PolarHBondContact O-N 2.65Å; L653-L655 VanDerWaalsContact O-N 3.16Å; L653-Q912 HydrophobicContact CD2-CB 4.02Å; L653-Q912 HydrophobicContact CD2-CG 3.69Å; L653-L918 HydrophobicContact CD1-CD1 3.62Å; L653-L918 HydrophobicContact CD1-CD2 3.79Å; L653-L918 HydrophobicContact CD1-CG 4.24Å
654	E	55.8	Low	74.9	Confident	118 Å²	118	45.1 Å²	45.1	55%	0.551	25%	0.245	S	C	*	.			trans	-70.6	100.3	154.6	-68.8	-176.9	161.2	0	0	106.2	S206 P652	S206-E654 WeakPolarHBondContact CB-OE1 3.33Å; S206-E654 PolarHBondContact OG-OE1 2.81Å; P652-E654 PolarHBondContact O-N 3.36Å
655	L	60.7	Low	75.2	Confident	34 Å²	34	42.8 Å²	42.8	18%	0.178	23%	0.233	C	C	.	.			trans	-57.7	149.5	169.3	-82.1	93.4	0	0	0	108.9	L653 V657 I758 L855 L908 Q912	L653-L655 HydrophobicContact CD2-CD1 3.78Å; L653-L655 HydrophobicContact CD2-CG 3.84Å; L653-L655 HydrophobicContact CG-CD1 4.47Å; L653-L655 PolarHBondContact O-N 2.65Å; L653-L655 VanDerWaalsContact O-N 3.16Å; L655-V657 WeakPolarHBondContact O-CG2 3.4Å; L655-V657 PolarHBondContact O-N 3.45Å; L655-I758 HydrophobicContact CD2-CD1 3.99Å; L655-L855 HydrophobicContact CD1-CD1 4.31Å; L655-L855 HydrophobicContact CD2-CD1 4.01Å; L655-L908 HydrophobicContact CD2-CD2 3.73Å; L655-Q912 HydrophobicContact CD2-CG 4.3Å; L655-Q912 HydrophobicContact CG-CG 4.32Å
656	D	66.8	Low	75.4	Confident	44 Å²	44	42.1 Å²	42.1	24%	0.235	23%	0.226	C	C	.	.			trans	-68.2	95.1	157.6	-171.6	-27	0	0	0	108.5	N658 K659 S660	D656-N658 PolarHBondContact O-N 3.16Å; D656-N658 WeakPolarHBondContact OD1-CA 3.42Å; D656-N658 WeakPolarHBondContact OD1-CB 3.37Å; D656-N658 PolarHBondContact OD1-N 2.73Å; D656-K659 HydrophobicContact CB-CB 4.08Å; D656-K659 HydrophobicContact CB-CD 4.31Å; D656-K659 HydrophobicContact CB-CG 4.31Å; D656-K659 PolarHBondContact O-N 2.87Å; D656-K659 PolarHBondContact OD1-N 3.16Å; D656-K659 VanDerWaalsContact OD2-CD 3.32Å; D656-K659 WeakPolarHBondContact OD2-CD 3.11Å; D656-K659 WeakPolarHBondContact OD2-CE 3.25Å; D656-K659 VanDerWaalsContact OD2-CG 3.25Å; D656-K659 WeakPolarHBondContact OD2-CG 3.49Å; D656-K659 IonicContact OD2-NZ 3.06Å; D656-K659 PolarHBondContact OD2-NZ 3.37Å; D656-S660 WeakPolarHBondContact O-CB 3.16Å; D656-S660 PolarHBondContact O-N 3.28Å; D656-S660 PolarHBondContact O-OG 3.06Å
657	V	72.9	Confident	75.4	Confident	26 Å²	26	42.1 Å²	42.1	16%	0.158	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-31.5	-178.7	-164.3	0	0	0	0	111.1	L655 A661 P757 I758 T761	L655-V657 WeakPolarHBondContact O-CG2 3.4Å; L655-V657 PolarHBondContact O-N 3.45Å; V657-A661 VanDerWaalsContact O-CB 3.31Å; V657-A661 WeakPolarHBondContact O-CB 3.33Å; V657-A661 PolarHBondContact O-N 3.1Å; V657-P757 VanDerWaalsContact CG1-C 3.44Å; V657-P757 HydrophobicContact CG1-CB 4.14Å; V657-P757 WeakPolarHBondContact CG1-O 3.31Å; V657-P757 HydrophobicContact CG2-CB 4.33Å; V657-I758 HydrophobicContact CG1-CB 4.48Å; V657-I758 HydrophobicContact CG1-CG1 4.28Å; V657-T761 VanDerWaalsContact CG1-OG1 3.29Å; V657-T761 WeakPolarHBondContact CG1-OG1 3.43Å
658	N	76.2	Confident	75.5	Confident	47 Å²	47	38.6 Å²	38.6	25%	0.251	21%	0.207	S	C	.	.	H	α-helix	trans	-75.9	-54.6	179.6	-58.8	-66.4	0	0	0	110.6	Y212 D656 S660 A661 D662	Y212-N658 PolarHBondContact OH-OD1 2.86Å; D656-N658 PolarHBondContact O-N 3.16Å; D656-N658 WeakPolarHBondContact OD1-CA 3.42Å; D656-N658 WeakPolarHBondContact OD1-CB 3.37Å; D656-N658 PolarHBondContact OD1-N 2.73Å; N658-S660 PolarHBondContact O-N 2.85Å; N658-S660 VanDerWaalsContact O-N 3.11Å; N658-A661 PolarHBondContact O-N 3.42Å; N658-D662 WeakPolarHBondContact O-CB 3.08Å; N658-D662 PolarHBondContact O-N 3Å
659	K	74.9	Confident	75.7	Confident	102 Å²	102	38.6 Å²	38.6	44%	0.443	21%	0.207	S	C	.	.	H	α-helix	trans	-57.2	-31.2	176	-70.2	-178.3	-171.4	90	0	112.1	D656 F663 L911	D656-K659 HydrophobicContact CB-CB 4.08Å; D656-K659 HydrophobicContact CB-CD 4.31Å; D656-K659 HydrophobicContact CB-CG 4.31Å; D656-K659 PolarHBondContact O-N 2.87Å; D656-K659 PolarHBondContact OD1-N 3.16Å; D656-K659 VanDerWaalsContact OD2-CD 3.32Å; D656-K659 WeakPolarHBondContact OD2-CD 3.11Å; D656-K659 WeakPolarHBondContact OD2-CE 3.25Å; D656-K659 VanDerWaalsContact OD2-CG 3.25Å; D656-K659 WeakPolarHBondContact OD2-CG 3.49Å; D656-K659 IonicContact OD2-NZ 3.06Å; D656-K659 PolarHBondContact OD2-NZ 3.37Å; K659-F663 VanDerWaalsContact O-CB 3.22Å; K659-F663 WeakPolarHBondContact O-CB 3.37Å; K659-F663 PolarHBondContact O-N 2.8Å; K659-F663 VanDerWaalsContact O-N 3.13Å; K659-L911 HydrophobicContact CD-CD2 4.47Å
660	S	75.9	Confident	75.6	Confident	4 Å²	4	37.6 Å²	37.6	3%	0.028	21%	0.205	C	C	.	.	H	α-helix	trans	-69.9	-48	174.6	-54.9	0	0	0	0	112	D656 N658 F663 I664	D656-S660 WeakPolarHBondContact O-CB 3.16Å; D656-S660 PolarHBondContact O-N 3.28Å; D656-S660 PolarHBondContact O-OG 3.06Å; N658-S660 PolarHBondContact O-N 2.85Å; N658-S660 VanDerWaalsContact O-N 3.11Å; S660-F663 PolarHBondContact O-N 2.59Å; S660-I664 VanDerWaalsContact O-CD1 3.31Å; S660-I664 WeakPolarHBondContact O-CD1 3.28Å; S660-I664 VanDerWaalsContact O-CG1 3.26Å; S660-I664 WeakPolarHBondContact O-CG1 3.33Å; S660-I664 PolarHBondContact O-N 2.9Å; S660-I664 VanDerWaalsContact O-N 3.11Å
661	A	83.5	Confident	75.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-44.6	176.7	0	0	0	0	0	112.4	V657 N658 F663 I664 I665 T761 I762 Q765	V657-A661 VanDerWaalsContact O-CB 3.31Å; V657-A661 WeakPolarHBondContact O-CB 3.33Å; V657-A661 PolarHBondContact O-N 3.1Å; N658-A661 PolarHBondContact O-N 3.42Å; A661-F663 VanDerWaalsContact C-N 3.29Å; A661-F663 PolarHBondContact O-N 2.81Å; A661-I664 PolarHBondContact O-N 3.41Å; A661-I665 WeakPolarHBondContact O-CG1 3.44Å; A661-I665 PolarHBondContact O-N 2.79Å; A661-T761 HydrophobicContact CB-CG2 3.57Å; A661-I762 HydrophobicContact CB-CG1 3.73Å; A661-Q765 VanDerWaalsContact CB-OE1 3.28Å
662	D	82.9	Confident	76.1	Confident	86 Å²	86	38.1 Å²	38.1	46%	0.46	21%	0.205	S	C	.	.	H	α-helix	trans	-57.8	-40.6	176	-63.6	-17.7	0	0	0	111.3	N658 G666 Q765	N658-D662 WeakPolarHBondContact O-CB 3.08Å; N658-D662 PolarHBondContact O-N 3Å; D662-G666 PolarHBondContact O-N 2.93Å; D662-Q765 PolarHBondContact OD1-NE2 3.25Å
663	F	81.9	Confident	76.6	Confident	43 Å²	43	40.7 Å²	40.7	19%	0.189	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-41.9	174.4	172.9	-108	0	0	0	112.2	K659 S660 A661 G666 I667 L904 K907 L908	K659-F663 VanDerWaalsContact O-CB 3.22Å; K659-F663 WeakPolarHBondContact O-CB 3.37Å; K659-F663 PolarHBondContact O-N 2.8Å; K659-F663 VanDerWaalsContact O-N 3.13Å; S660-F663 PolarHBondContact O-N 2.59Å; A661-F663 VanDerWaalsContact C-N 3.29Å; A661-F663 PolarHBondContact O-N 2.81Å; F663-G666 PolarHBondContact O-N 2.93Å; F663-I667 HydrophobicContact CD1-CD1 4.28Å; F663-I667 HydrophobicContact CE1-CD1 3.76Å; F663-I667 HydrophobicContact CE2-CD1 4.45Å; F663-I667 HydrophobicContact CZ-CD1 3.85Å; F663-I667 HydrophobicContact CZ-CG1 4.5Å; F663-I667 WeakPolarHBondContact O-CG1 3.49Å; F663-I667 PolarHBondContact O-N 3.05Å; F663-L904 HydrophobicContact CE1-CD1 4.48Å; F663-K907 HydrophobicContact CE2-CB 4.31Å; F663-K907 HydrophobicContact CE2-CD 3.65Å; F663-K907 HydrophobicContact CZ-CB 3.99Å; F663-K907 HydrophobicContact CZ-CD 3.75Å; F663-L908 HydrophobicContact CD1-CD1 3.76Å; F663-L908 HydrophobicContact CE1-CD1 4.07Å
664	I	85.3	Confident	77.1	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-68.1	-44.3	179.9	-73.6	162	0	0	0	111.5	S660 A661 G666 I667 I668 I758 I762 L851 I853	S660-I664 VanDerWaalsContact O-CD1 3.31Å; S660-I664 WeakPolarHBondContact O-CD1 3.28Å; S660-I664 VanDerWaalsContact O-CG1 3.26Å; S660-I664 WeakPolarHBondContact O-CG1 3.33Å; S660-I664 PolarHBondContact O-N 2.9Å; S660-I664 VanDerWaalsContact O-N 3.11Å; A661-I664 PolarHBondContact O-N 3.41Å; I664-G666 VanDerWaalsContact C-N 3.3Å; I664-I667 WeakPolarHBondContact O-CB 3.19Å; I664-I667 PolarHBondContact O-N 2.94Å; I664-I668 HydrophobicContact CG2-CD1 4.24Å; I664-I668 WeakPolarHBondContact O-CG1 3.48Å; I664-I668 PolarHBondContact O-N 3.16Å; I664-I668 VanDerWaalsContact O-N 3.13Å; I664-I758 HydrophobicContact CD1-CG2 3.86Å; I664-I762 HydrophobicContact CB-CD1 4.1Å; I664-I762 HydrophobicContact CB-CG1 4.47Å; I664-I762 HydrophobicContact CD1-CD1 3.72Å; I664-I762 HydrophobicContact CG1-CD1 4.5Å; I664-I762 HydrophobicContact CG2-CD1 3.59Å; I664-I762 HydrophobicContact CG2-CG1 4.11Å; I664-L851 HydrophobicContact CB-CD2 4.34Å; I664-L851 HydrophobicContact CG1-CD2 4.3Å; I664-L851 HydrophobicContact CG2-CD2 3.47Å; I664-L851 VanDerWaalsContact CG2-CD2 3.47Å; I664-I853 HydrophobicContact CD1-CD1 3.31Å; I664-I853 HydrophobicContact CG1-CD1 3.74Å
665	I	86.9	Confident	77.7	Confident	11 Å²	11	39.9 Å²	39.9	6%	0.056	21%	0.205	C	C	.	.	H	α-helix	trans	-67.5	-35.3	173.7	-64.2	-175.3	0	0	0	110.6	A661 I667 I668 L669 Q765 L766	A661-I665 WeakPolarHBondContact O-CG1 3.44Å; A661-I665 PolarHBondContact O-N 2.79Å; I665-I667 VanDerWaalsContact C-N 3.26Å; I665-I667 PolarHBondContact O-N 2.75Å; I665-I668 PolarHBondContact O-N 2.99Å; I665-L669 HydrophobicContact CG2-CD1 3.68Å; I665-L669 HydrophobicContact CG2-CG 3.92Å; I665-L669 WeakPolarHBondContact O-CB 3.45Å; I665-L669 VanDerWaalsContact O-CG 3.3Å; I665-L669 WeakPolarHBondContact O-CG 3.4Å; I665-L669 PolarHBondContact O-N 2.87Å; I665-Q765 HydrophobicContact CD1-CB 3.28Å; I665-Q765 HydrophobicContact CD1-CG 4.31Å; I665-Q765 VanDerWaalsContact CD1-OE1 3.29Å; I665-L766 HydrophobicContact CD1-CD2 3.74Å; I665-L766 HydrophobicContact CD1-CG 3.73Å; I665-L766 HydrophobicContact CG1-CD2 3.8Å; I665-L766 HydrophobicContact CG1-CG 4.06Å; I665-L766 HydrophobicContact CG2-CD2 4.15Å
666	G	84.5	Confident	77.5	Confident	37 Å²	37	42.6 Å²	42.6	38%	0.381	22%	0.218	S	C	.	.	H	α-helix	trans	-54.5	-40.2	169.8	0	0	0	0	0	113	D662 F663 I664 S670	D662-G666 PolarHBondContact O-N 2.93Å; F663-G666 PolarHBondContact O-N 2.93Å; I664-G666 VanDerWaalsContact C-N 3.3Å; G666-S670 WeakPolarHBondContact O-CB 3.07Å; G666-S670 PolarHBondContact O-N 3.22Å; G666-S670 PolarHBondContact O-OG 3.3Å
667	I	84.3	Confident	77	Confident	12 Å²	12	42.9 Å²	42.9	6%	0.062	22%	0.224	C	C	.	.	H	α-helix	trans	-64.5	-57.3	172.9	-64.4	162.6	0	0	0	110	F663 I664 I665 L669 S670 T671 Y879 L904	F663-I667 HydrophobicContact CD1-CD1 4.28Å; F663-I667 HydrophobicContact CE1-CD1 3.76Å; F663-I667 HydrophobicContact CE2-CD1 4.45Å; F663-I667 HydrophobicContact CZ-CD1 3.85Å; F663-I667 HydrophobicContact CZ-CG1 4.5Å; F663-I667 WeakPolarHBondContact O-CG1 3.49Å; F663-I667 PolarHBondContact O-N 3.05Å; I664-I667 WeakPolarHBondContact O-CB 3.19Å; I664-I667 PolarHBondContact O-N 2.94Å; I665-I667 VanDerWaalsContact C-N 3.26Å; I665-I667 PolarHBondContact O-N 2.75Å; I667-L669 VanDerWaalsContact C-N 3.31Å; I667-L669 PolarHBondContact O-N 2.8Å; I667-S670 WeakPolarHBondContact CA-OG 3.39Å; I667-S670 WeakPolarHBondContact O-CA 3.36Å; I667-S670 PolarHBondContact O-N 3.11Å; I667-S670 PolarHBondContact O-OG 3.32Å; I667-T671 PolarHBondContact O-N 3.11Å; I667-T671 PolarHBondContact O-OG1 2.77Å; I667-Y879 HydrophobicContact CG2-CD1 3.84Å; I667-Y879 HydrophobicContact CG2-CD2 4.2Å; I667-Y879 HydrophobicContact CG2-CE1 3.94Å; I667-Y879 HydrophobicContact CG2-CE2 4.29Å; I667-Y879 HydrophobicContact CG2-CG 3.99Å; I667-L904 HydrophobicContact CD1-CD1 3.59Å; I667-L904 HydrophobicContact CD1-CD2 3.98Å; I667-L904 HydrophobicContact CD1-CG 4.46Å
668	I	85.9	Confident	76.1	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-52.7	-47.8	-176.7	-62.7	164.3	0	0	0	111.3	I664 I665 T671 Y672 L766 W805 I807	I664-I668 HydrophobicContact CG2-CD1 4.24Å; I664-I668 WeakPolarHBondContact O-CG1 3.48Å; I664-I668 PolarHBondContact O-N 3.16Å; I664-I668 VanDerWaalsContact O-N 3.13Å; I665-I668 PolarHBondContact O-N 2.99Å; I668-T671 PolarHBondContact O-N 2.95Å; I668-Y672 WeakPolarHBondContact O-CB 2.87Å; I668-Y672 PolarHBondContact O-N 3.25Å; I668-L766 HydrophobicContact CD1-CD1 4.24Å; I668-L766 HydrophobicContact CD1-CD2 4.48Å; I668-W805 HydrophobicContact CG1-CD2 4.38Å; I668-W805 HydrophobicContact CG1-CE3 3.98Å; I668-W805 HydrophobicContact CG1-CH2 4.31Å; I668-W805 HydrophobicContact CG1-CZ3 3.94Å; I668-W805 HydrophobicContact CG2-CD2 4.39Å; I668-W805 HydrophobicContact CG2-CZ2 4.38Å; I668-I807 HydrophobicContact CD1-CD1 3.75Å
669	L	85.1	Confident	74.8	Confident	36 Å²	36	49.2 Å²	49.2	19%	0.188	25%	0.249	C	C	.	.	H	α-helix	trans	-68.8	-36.8	177.8	-62.1	178	0	0	0	112.2	I665 I667 T671 Y672 Y673 F769	I665-L669 HydrophobicContact CG2-CD1 3.68Å; I665-L669 HydrophobicContact CG2-CG 3.92Å; I665-L669 WeakPolarHBondContact O-CB 3.45Å; I665-L669 VanDerWaalsContact O-CG 3.3Å; I665-L669 WeakPolarHBondContact O-CG 3.4Å; I665-L669 PolarHBondContact O-N 2.87Å; I667-L669 VanDerWaalsContact C-N 3.31Å; I667-L669 PolarHBondContact O-N 2.8Å; L669-T671 VanDerWaalsContact C-N 3.32Å; L669-T671 PolarHBondContact O-N 3.45Å; L669-Y672 PolarHBondContact O-N 3.09Å; L669-Y673 HydrophobicContact CB-CD2 4.34Å; L669-Y673 HydrophobicContact CD2-CE2 4.13Å; L669-Y673 WeakPolarHBondContact O-CB 3.15Å; L669-Y673 WeakPolarHBondContact O-CD2 3.42Å; L669-Y673 PolarHBondContact O-N 3.44Å; L669-F769 HydrophobicContact CD1-CE1 3.99Å; L669-F769 HydrophobicContact CD1-CZ 3.95Å; L669-F769 HydrophobicContact CD2-CD1 4.22Å; L669-F769 HydrophobicContact CD2-CE1 3.9Å; L669-F769 HydrophobicContact CD2-CZ 4.46Å
670	S	80.1	Confident	73.4	Confident	21 Å²	21	49.3 Å²	49.3	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-67.2	-31.2	177.8	73.3	0	0	0	0	113.5	G666 I667 D674 I675	G666-S670 WeakPolarHBondContact O-CB 3.07Å; G666-S670 PolarHBondContact O-N 3.22Å; G666-S670 PolarHBondContact O-OG 3.3Å; I667-S670 WeakPolarHBondContact CA-OG 3.39Å; I667-S670 WeakPolarHBondContact O-CA 3.36Å; I667-S670 PolarHBondContact O-N 3.11Å; I667-S670 PolarHBondContact O-OG 3.32Å; S670-D674 CarbonylContact O-C 3.55Å; S670-D674 WeakPolarHBondContact O-CA 3.37Å; S670-D674 PolarHBondContact O-N 3.33Å; S670-I675 PolarHBondContact O-N 2.96Å
671	T	78.9	Confident	71.9	Confident	26 Å²	26	54.5 Å²	54.5	16%	0.16	28%	0.279	C	S	.	.	H	α-helix	trans	-75.7	-48.2	173.3	-50.6	0	0	0	0	110.7	I667 I668 L669 Y673 D674 W805 Y879	I667-T671 PolarHBondContact O-N 3.11Å; I667-T671 PolarHBondContact O-OG1 2.77Å; I668-T671 PolarHBondContact O-N 2.95Å; L669-T671 VanDerWaalsContact C-N 3.32Å; L669-T671 PolarHBondContact O-N 3.45Å; T671-Y673 PolarHBondContact O-N 3.29Å; T671-D674 PolarHBondContact O-N 2.98Å; T671-D674 VanDerWaalsContact O-N 3.1Å; T671-W805 HydrophobicContact CG2-CH2 4.07Å; T671-W805 HydrophobicContact CG2-CZ2 3.8Å; T671-Y879 WeakPolarHBondContact CG2-OH 3.33Å; T671-Y879 PolarHBondContact OG1-OH 3.38Å
672	Y	75	Confident	69.8	Low	53 Å²	53	59.7 Å²	59.7	21%	0.208	30%	0.304	C	S	.	.	H	α-helix	trans	-65.2	-34.9	-177.5	177.4	-103.8	0	0	0	114.1	I668 L669 N743 I748	I668-Y672 WeakPolarHBondContact O-CB 2.87Å; I668-Y672 PolarHBondContact O-N 3.25Å; L669-Y672 PolarHBondContact O-N 3.09Å; Y672-N743 WeakPolarHBondContact CE2-O 3.16Å; Y672-N743 PolarHBondContact OH-O 2.92Å; Y672-I748 HydrophobicContact CD2-CD1 3.6Å; Y672-I748 HydrophobicContact CE2-CD1 3.36Å; Y672-I748 HydrophobicContact CE2-CG1 4.31Å; Y672-I748 HydrophobicContact CG-CD1 4.31Å
673	Y	73	Confident	67.8	Low	125 Å²	125	61 Å²	61	49%	0.49	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	10.2	173.8	-65.9	-65.4	0	0	0	113.5	L669 T671 I675	L669-Y673 HydrophobicContact CB-CD2 4.34Å; L669-Y673 HydrophobicContact CD2-CE2 4.13Å; L669-Y673 WeakPolarHBondContact O-CB 3.15Å; L669-Y673 WeakPolarHBondContact O-CD2 3.42Å; L669-Y673 PolarHBondContact O-N 3.44Å; T671-Y673 PolarHBondContact O-N 3.29Å; Y673-I675 PolarHBondContact O-N 3.5Å
674	D	67.8	Low	65.7	Low	46 Å²	46	65.4 Å²	65.4	25%	0.246	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	47	34.9	179.9	-159.3	15.7	0	0	0	115.2	S670 T671 M676 S677 I678	S670-D674 CarbonylContact O-C 3.55Å; S670-D674 WeakPolarHBondContact O-CA 3.37Å; S670-D674 PolarHBondContact O-N 3.33Å; T671-D674 PolarHBondContact O-N 2.98Å; T671-D674 VanDerWaalsContact O-N 3.1Å; D674-M676 PolarHBondContact O-N 2.86Å; D674-M676 VanDerWaalsContact O-N 3.17Å; D674-S677 VanDerWaalsContact CG-CB 3.46Å; D674-S677 PolarHBondContact O-N 2.82Å; D674-S677 VanDerWaalsContact O-N 3.16Å; D674-S677 WeakPolarHBondContact OD1-CB 3.42Å; D674-S677 PolarHBondContact OD1-OG 2.68Å; D674-S677 WeakPolarHBondContact OD2-CB 3.22Å; D674-S677 PolarHBondContact OD2-OG 3.36Å; D674-I678 WeakPolarHBondContact O-CG1 3.4Å; D674-I678 PolarHBondContact O-N 3.33Å; D674-I678 VanDerWaalsContact O-N 3.15Å
675	I	69.5	Low	63.2	Low	80 Å²	80	70.7 Å²	70.7	41%	0.41	36%	0.355	S	S	.	.	H	α-helix	trans	-62.5	-29.5	-173.4	-52.6	-176.7	0	0	0	110.6	S670 Y673 Y679	S670-I675 PolarHBondContact O-N 2.96Å; Y673-I675 PolarHBondContact O-N 3.5Å; I675-Y679 VanDerWaalsContact O-CB 3.27Å; I675-Y679 WeakPolarHBondContact O-CB 3.42Å; I675-Y679 PolarHBondContact O-N 2.77Å
676	M	57.1	Low	60.5	Low	91 Å²	91	76.4 Å²	76.4	45%	0.448	39%	0.393	S	S	.	.	H	α-helix	trans	-73.5	-39.8	177.6	-67.5	-60.6	97	0	0	112.7	D674 Y679 M680	D674-M676 PolarHBondContact O-N 2.86Å; D674-M676 VanDerWaalsContact O-N 3.17Å; M676-Y679 PolarHBondContact O-N 3.15Å; M676-M680 WeakPolarHBondContact O-CB 3.46Å; M676-M680 VanDerWaalsContact O-CG 3.24Å; M676-M680 WeakPolarHBondContact O-CG 3.38Å; M676-M680 PolarHBondContact O-N 3.31Å
677	S	56.4	Low	57.8	Low	51 Å²	51	80.5 Å²	80.5	36%	0.357	41%	0.411	S	S	.	.	H	α-helix	trans	-69.1	-37.9	176.1	-54	0	0	0	0	111.4	D674 Y679 M680 N681	D674-S677 VanDerWaalsContact CG-CB 3.46Å; D674-S677 PolarHBondContact O-N 2.82Å; D674-S677 VanDerWaalsContact O-N 3.16Å; D674-S677 WeakPolarHBondContact OD1-CB 3.42Å; D674-S677 PolarHBondContact OD1-OG 2.68Å; D674-S677 WeakPolarHBondContact OD2-CB 3.22Å; D674-S677 PolarHBondContact OD2-OG 3.36Å; S677-Y679 PolarHBondContact O-N 2.77Å; S677-M680 PolarHBondContact O-N 2.94Å; S677-N681 VanDerWaalsContact O-CB 3.3Å; S677-N681 WeakPolarHBondContact O-CB 3.48Å; S677-N681 VanDerWaalsContact O-CG 3.25Å; S677-N681 PolarHBondContact O-N 3.17Å; S677-N681 PolarHBondContact O-ND2 3.4Å; S677-N681 VanDerWaalsContact O-ND2 3.17Å
678	I	54	Low	55.4	Low	99 Å²	99	84.2 Å²	84.2	51%	0.508	43%	0.434	S	S	.	.	H	α-helix	trans	-55.1	-53.7	170.6	-64.2	167.7	0	0	0	109.9	D674 M680 N681 E682	D674-I678 WeakPolarHBondContact O-CG1 3.4Å; D674-I678 PolarHBondContact O-N 3.33Å; D674-I678 VanDerWaalsContact O-N 3.15Å; I678-M680 PolarHBondContact O-N 3.07Å; I678-N681 PolarHBondContact O-N 3.16Å; I678-E682 PolarHBondContact O-N 3.35Å
679	Y	47.2	Very low	52.7	Low	107 Å²	107	93.4 Å²	93.4	42%	0.42	47%	0.474	S	S	.	.	H	α-helix	trans	-71	-25.8	-176.4	-176.4	-116.5	0	0	0	114.8	I675 M676 S677 K683	I675-Y679 VanDerWaalsContact O-CB 3.27Å; I675-Y679 WeakPolarHBondContact O-CB 3.42Å; I675-Y679 PolarHBondContact O-N 2.77Å; M676-Y679 PolarHBondContact O-N 3.15Å; S677-Y679 PolarHBondContact O-N 2.77Å; Y679-K683 HydrophobicContact CE1-CD 4.45Å; Y679-K683 WeakPolarHBondContact OH-CE 3.33Å; Y679-K683 PolarHBondContact OH-NZ 3.07Å
680	M	46.2	Very low	50.2	Low	103 Å²	103	103 Å²	103	51%	0.507	51%	0.508	S	S	.	.	H	α-helix	trans	-81.5	-34.2	174.2	-67.9	-58.8	-173.3	0	0	112	M676 S677 I678 E682 K683 N684	M676-M680 WeakPolarHBondContact O-CB 3.46Å; M676-M680 VanDerWaalsContact O-CG 3.24Å; M676-M680 WeakPolarHBondContact O-CG 3.38Å; M676-M680 PolarHBondContact O-N 3.31Å; S677-M680 PolarHBondContact O-N 2.94Å; I678-M680 PolarHBondContact O-N 3.07Å; M680-E682 VanDerWaalsContact C-N 3.29Å; M680-E682 PolarHBondContact O-N 3.33Å; M680-K683 PolarHBondContact O-N 3.37Å; M680-K683 HydrophobicContact SD-CD 4.36Å; M680-N684 PolarHBondContact O-N 2.82Å
681	N	44.5	Very low	47.9	Very low	113 Å²	113	106.6 Å²	106.6	60%	0.604	53%	0.53	S	S	*	.	H	α-helix	trans	-64	-34.1	172.8	-75.8	-29.3	0	0	0	112.1	S677 I678 K683	S677-N681 VanDerWaalsContact O-CB 3.3Å; S677-N681 WeakPolarHBondContact O-CB 3.48Å; S677-N681 VanDerWaalsContact O-CG 3.25Å; S677-N681 PolarHBondContact O-N 3.17Å; S677-N681 PolarHBondContact O-ND2 3.4Å; S677-N681 VanDerWaalsContact O-ND2 3.17Å; I678-N681 PolarHBondContact O-N 3.16Å; N681-K683 PolarHBondContact O-N 3.38Å
682	E	40.1	Very low	45.7	Very low	110 Å²	110	109.7 Å²	109.7	51%	0.514	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-60.3	-30	169.4	-71.6	-175	153	0	0	113.4	I678 M680	I678-E682 PolarHBondContact O-N 3.35Å; M680-E682 VanDerWaalsContact C-N 3.29Å; M680-E682 PolarHBondContact O-N 3.33Å
683	K	40.4	Very low	43.9	Very low	112 Å²	112	112.3 Å²	112.3	49%	0.487	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-86.6	-12.7	-175.3	-78	-176.5	176.7	175	0	115.5	Y679 M680 N681 Q685	Y679-K683 HydrophobicContact CE1-CD 4.45Å; Y679-K683 WeakPolarHBondContact OH-CE 3.33Å; Y679-K683 PolarHBondContact OH-NZ 3.07Å; M680-K683 PolarHBondContact O-N 3.37Å; M680-K683 HydrophobicContact SD-CD 4.36Å; N681-K683 PolarHBondContact O-N 3.38Å; K683-Q685 PolarHBondContact O-N 2.94Å
684	N	38.4	Very low	42.5	Very low	136 Å²	136	111.1 Å²	111.1	73%	0.727	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-75.8	2.6	173.9	-71.4	-26.7	0	0	0	112.8	M680	M680-N684 PolarHBondContact O-N 2.82Å
685	Q	32.6	Very low	41.2	Very low	113 Å²	113	112.8 Å²	112.8	53%	0.528	61%	0.608	S	S	.	*	S	Bend	trans	-96.5	126.7	160.2	-63.1	-168.4	11.4	0	0	110.5	K683 T687	K683-Q685 PolarHBondContact O-N 2.94Å; Q685-T687 PolarHBondContact O-N 2.78Å
686	P	28.7	Very low	40.1	Very low	131 Å²	131	111.7 Å²	111.7	85%	0.851	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	5.8	-164.7	28.5	-36.2	0	0	0	116.3
687	T	29.4	Very low	39.8	Very low	123 Å²	123	114.3 Å²	114.3	76%	0.755	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.5	22.6	-162.2	49.5	0	0	0	0	116.3	Q685	Q685-T687 PolarHBondContact O-N 2.78Å
688	V	32.4	Very low	39.3	Very low	91 Å²	91	115.2 Å²	115.2	55%	0.552	63%	0.625	S	S	*	*			trans	-104.6	98.4	177.9	-171.3	0	0	0	0	112.7	P691	V688-P691 HydrophobicContact CG1-CG 4.48Å
689	K	29.7	Very low	39	Very low	195 Å²	195	114 Å²	114	85%	0.848	62%	0.619	S	S	*	*			trans	-69	146	157	-70.9	175.3	-179.5	171.2	0	108.7
690	R	32.3	Very low	38.9	Very low	238 Å²	238	111.5 Å²	111.5	90%	0.898	61%	0.614	S	S	*	*	S	Bend	trans	-25.8	116.7	175.1	-176.5	-174.1	-165.5	169.4	5.4	112.5	A692	R690-A692 PolarHBondContact O-N 3.05Å; R690-A692 VanDerWaalsContact O-N 3.1Å
691	P	31.6	Very low	39	Very low	95 Å²	95	110.9 Å²	110.9	62%	0.617	61%	0.613	S	S	*	*			trans	-55.9	117.7	-176.5	-28.7	35.5	0	0	0	112.5	V688	V688-P691 HydrophobicContact CG1-CG 4.48Å
692	A	32.4	Very low	39	Very low	91 Å²	91	110.5 Å²	110.5	75%	0.752	61%	0.608	S	S	*	*	S	Bend	trans	-92.6	122.9	158.9	0	0	0	0	0	106.3	R690	R690-A692 PolarHBondContact O-N 3.05Å; R690-A692 VanDerWaalsContact O-N 3.1Å
693	S	38.4	Very low	39.1	Very low	109 Å²	109	109.2 Å²	109.2	76%	0.762	60%	0.604	S	S	*	*	S	Bend	trans	71	170.2	-166.5	81.1	0	0	0	0	115.6
694	S	42.4	Very low	39.4	Very low	99 Å²	99	107.1 Å²	107.1	69%	0.692	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-69.1	156.1	-171.4	44.8	0	0	0	0	114
695	P	42.2	Very low	39.8	Very low	82 Å²	82	107.2 Å²	107.2	53%	0.532	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-58.3	142.1	174.3	25.9	-35.2	0	0	0	111.3	I699	P695-I699 HydrophobicContact CB-CB 4.34Å; P695-I699 HydrophobicContact CB-CG2 4.14Å
696	S	45.8	Very low	40.5	Very low	57 Å²	57	108 Å²	108	40%	0.399	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-72	156.4	179.4	57	0	0	0	0	111.8	S698 I699 V700	S696-S698 PolarHBondContact O-N 3.25Å; S696-S698 PolarHBondContact OG-OG 2.81Å; S696-I699 WeakPolarHBondContact O-CB 3.39Å; S696-I699 PolarHBondContact O-N 2.97Å; S696-I699 WeakPolarHBondContact OG-CD1 3.35Å; S696-I699 WeakPolarHBondContact OG-CG1 3.33Å; S696-V700 PolarHBondContact O-N 2.83Å
697	Q	51.3	Low	41.1	Very low	145 Å²	145	104 Å²	104	68%	0.678	58%	0.575	S	S	*	*	H	α-helix	trans	-56.5	-28.3	-179.1	-142.7	75.1	14.4	0	0	113.2	N701	Q697-N701 WeakPolarHBondContact O-CB 3.36Å; Q697-N701 PolarHBondContact O-N 3.41Å; Q697-N701 PolarHBondContact O-ND2 3.22Å; Q697-N701 PolarHBondContact O-OD1 3.18Å
698	S	44.5	Very low	41.7	Very low	71 Å²	71	105.7 Å²	105.7	50%	0.497	57%	0.572	S	S	.	*	H	α-helix	trans	-68.8	-39.2	174.1	51.7	0	0	0	0	113	S696 N701 Q702	S696-S698 PolarHBondContact O-N 3.25Å; S696-S698 PolarHBondContact OG-OG 2.81Å; S698-N701 PolarHBondContact O-N 3.03Å; S698-Q702 WeakPolarHBondContact O-CG 3.31Å; S698-Q702 PolarHBondContact O-N 3.04Å
699	I	47.8	Very low	42	Very low	74 Å²	74	106.3 Å²	106.3	38%	0.379	58%	0.577	S	S	.	*	H	α-helix	trans	-67.3	-42.2	174.5	-64.1	170.1	0	0	0	109.7	P695 S696 N701 Q702 L703	P695-I699 HydrophobicContact CB-CB 4.34Å; P695-I699 HydrophobicContact CB-CG2 4.14Å; S696-I699 WeakPolarHBondContact O-CB 3.39Å; S696-I699 PolarHBondContact O-N 2.97Å; S696-I699 WeakPolarHBondContact OG-CD1 3.35Å; S696-I699 WeakPolarHBondContact OG-CG1 3.33Å; I699-N701 VanDerWaalsContact C-N 3.33Å; I699-N701 PolarHBondContact O-N 2.87Å; I699-Q702 PolarHBondContact O-N 2.99Å; I699-L703 HydrophobicContact CG2-CD1 4.02Å; I699-L703 HydrophobicContact CG2-CG 4.47Å; I699-L703 WeakPolarHBondContact O-CB 3.32Å; I699-L703 VanDerWaalsContact O-CG 3.32Å; I699-L703 WeakPolarHBondContact O-CG 3.44Å; I699-L703 PolarHBondContact O-N 3.39Å
700	V	46.6	Very low	42.4	Very low	53 Å²	53	100.3 Å²	100.3	32%	0.321	55%	0.554	S	S	.	*	H	α-helix	trans	-57.9	-45.8	172.9	178.5	0	0	0	0	110.8	S696 Q702 L703 V704	S696-V700 PolarHBondContact O-N 2.83Å; V700-Q702 PolarHBondContact O-N 3.22Å; V700-L703 PolarHBondContact O-N 2.85Å; V700-V704 VanDerWaalsContact O-CG2 3.31Å; V700-V704 WeakPolarHBondContact O-CG2 3.24Å; V700-V704 PolarHBondContact O-N 2.86Å
701	N	46.6	Very low	42.5	Very low	91 Å²	91	93.2 Å²	93.2	49%	0.487	53%	0.531	S	S	.	.	H	α-helix	trans	-66.6	-35.9	178.4	-70.2	-7.1	0	0	0	113	Q697 S698 I699 V704 Q705	Q697-N701 WeakPolarHBondContact O-CB 3.36Å; Q697-N701 PolarHBondContact O-N 3.41Å; Q697-N701 PolarHBondContact O-ND2 3.22Å; Q697-N701 PolarHBondContact O-OD1 3.18Å; S698-N701 PolarHBondContact O-N 3.03Å; I699-N701 VanDerWaalsContact C-N 3.33Å; I699-N701 PolarHBondContact O-N 2.87Å; N701-V704 PolarHBondContact O-N 3.43Å; N701-Q705 WeakPolarHBondContact O-CG 3.46Å; N701-Q705 PolarHBondContact O-N 2.65Å
702	Q	46.4	Very low	42.6	Very low	105 Å²	105	94 Å²	94	49%	0.491	53%	0.53	S	S	.	.	H	α-helix	trans	-67.2	-43.1	173.7	-77.2	179	-27.1	0	0	111.9	S698 I699 V700 V704 Q705 I706	S698-Q702 WeakPolarHBondContact O-CG 3.31Å; S698-Q702 PolarHBondContact O-N 3.04Å; I699-Q702 PolarHBondContact O-N 2.99Å; V700-Q702 PolarHBondContact O-N 3.22Å; Q702-V704 VanDerWaalsContact C-N 3.34Å; Q702-V704 PolarHBondContact O-N 2.87Å; Q702-Q705 PolarHBondContact O-N 2.9Å; Q702-I706 WeakPolarHBondContact O-CG1 3.37Å; Q702-I706 PolarHBondContact O-N 2.89Å
703	L	42	Very low	42.7	Very low	82 Å²	82	98 Å²	98	43%	0.429	53%	0.533	S	S	.	.	H	α-helix	trans	-59.4	-44.5	173.1	-71.8	166.5	0	0	0	111.2	I699 V700 Q705 I706 N707	I699-L703 HydrophobicContact CG2-CD1 4.02Å; I699-L703 HydrophobicContact CG2-CG 4.47Å; I699-L703 WeakPolarHBondContact O-CB 3.32Å; I699-L703 VanDerWaalsContact O-CG 3.32Å; I699-L703 WeakPolarHBondContact O-CG 3.44Å; I699-L703 PolarHBondContact O-N 3.39Å; V700-L703 PolarHBondContact O-N 2.85Å; L703-Q705 VanDerWaalsContact C-N 3.31Å; L703-Q705 PolarHBondContact O-N 3.45Å; L703-I706 PolarHBondContact O-N 3.28Å; L703-N707 WeakPolarHBondContact O-CB 3.28Å; L703-N707 PolarHBondContact O-N 3.32Å; L703-N707 PolarHBondContact O-ND2 2.7Å
704	V	46.4	Very low	42.6	Very low	69 Å²	69	96.3 Å²	96.3	42%	0.418	52%	0.518	S	S	.	.	H	α-helix	trans	-63.2	-33.7	175.9	168.1	0	0	0	0	112.5	V700 N701 Q702	V700-V704 VanDerWaalsContact O-CG2 3.31Å; V700-V704 WeakPolarHBondContact O-CG2 3.24Å; V700-V704 PolarHBondContact O-N 2.86Å; N701-V704 PolarHBondContact O-N 3.43Å; Q702-V704 VanDerWaalsContact C-N 3.34Å; Q702-V704 PolarHBondContact O-N 2.87Å
705	Q	46.4	Very low	42.1	Very low	137 Å²	137	97.1 Å²	97.1	64%	0.64	52%	0.515	S	S	*	.	H	α-helix	trans	-73.5	-36.3	176.9	-76.4	178.5	-2.1	0	0	113.3	N701 Q702 L703	N701-Q705 WeakPolarHBondContact O-CG 3.46Å; N701-Q705 PolarHBondContact O-N 2.65Å; Q702-Q705 PolarHBondContact O-N 2.9Å; L703-Q705 VanDerWaalsContact C-N 3.31Å; L703-Q705 PolarHBondContact O-N 3.45Å
706	I	47.3	Very low	41.7	Very low	129 Å²	129	100.5 Å²	100.5	66%	0.662	53%	0.528	S	S	*	.	H	α-helix	trans	-73.9	-39	175.2	-65.1	167.8	0	0	0	110.5	Q702 L703 K708	Q702-I706 WeakPolarHBondContact O-CG1 3.37Å; Q702-I706 PolarHBondContact O-N 2.89Å; L703-I706 PolarHBondContact O-N 3.28Å; I706-K708 PolarHBondContact O-N 3.24Å
707	N	40.8	Very low	41.1	Very low	49 Å²	49	104.7 Å²	104.7	26%	0.262	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	20.8	-175.8	-67.6	-17.4	0	0	0	115	L703 P709 L710 H711	L703-N707 WeakPolarHBondContact O-CB 3.28Å; L703-N707 PolarHBondContact O-N 3.32Å; L703-N707 PolarHBondContact O-ND2 2.7Å; N707-P709 VanDerWaalsContact C-CD 3.43Å; N707-P709 VanDerWaalsContact C-N 3.31Å; N707-L710 HydrophobicContact CB-CB 4.13Å; N707-L710 HydrophobicContact CB-CD1 4.39Å; N707-L710 PolarHBondContact O-N 2.84Å; N707-L710 WeakPolarHBondContact OD1-CD1 3.26Å; N707-H711 PolarHBondContact O-N 3.07Å
708	K	41.7	Very low	39.9	Very low	158 Å²	158	104.2 Å²	104.2	69%	0.687	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.6	177.7	-83.9	-175.8	172.7	-175.6	0	115.2	I706	I706-K708 PolarHBondContact O-N 3.24Å
709	P	39.4	Very low	39.2	Very low	103 Å²	103	110.2 Å²	110.2	67%	0.669	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-27.5	170.9	-16.2	31.6	0	0	0	113.6	N707	N707-P709 VanDerWaalsContact C-CD 3.43Å; N707-P709 VanDerWaalsContact C-N 3.31Å
710	L	37.5	Very low	38.1	Very low	70 Å²	70	115.6 Å²	115.6	37%	0.366	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89	-22.9	-164.8	-73.7	159.9	0	0	0	113.8	N707 L742	N707-L710 HydrophobicContact CB-CB 4.13Å; N707-L710 HydrophobicContact CB-CD1 4.39Å; N707-L710 PolarHBondContact O-N 2.84Å; N707-L710 WeakPolarHBondContact OD1-CD1 3.26Å; L710-L742 HydrophobicContact CD2-CD1 3.59Å; L710-L742 HydrophobicContact CD2-CG 4.02Å
711	H	34.4	Very low	37.4	Very low	88 Å²	88	120.8 Å²	120.8	41%	0.407	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-81.6	-9.9	-179.4	-106.9	-49.2	0	0	0	115.3	N707 H713 T714	N707-H711 PolarHBondContact O-N 3.07Å; H711-H713 PolarHBondContact O-N 3.11Å; H711-H713 VanDerWaalsContact O-N 3.11Å; H711-T714 PolarHBondContact ND1-OG1 2.84Å; H711-T714 PolarHBondContact O-N 3.08Å; H711-T714 PolarHBondContact O-OG1 3Å
712	N	34.1	Very low	36.5	Very low	112 Å²	112	122.3 Å²	122.3	60%	0.599	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-72	-6.4	-169.8	-75.1	-21.6	0	0	0	115.5
713	H	34.5	Very low	35.9	Very low	174 Å²	174	124.2 Å²	124.2	81%	0.806	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-106.8	6.5	173.3	-82.2	-58.2	0	0	0	114.9	H711	H711-H713 PolarHBondContact O-N 3.11Å; H711-H713 VanDerWaalsContact O-N 3.11Å
714	T	35.8	Very low	35.3	Very low	74 Å²	74	126.5 Å²	126.5	45%	0.454	65%	0.653	S	S	.	*	S	Bend	trans	-99.7	-7	174.3	44.6	0	0	0	0	114.6	H711 D716 I717	H711-T714 PolarHBondContact ND1-OG1 2.84Å; H711-T714 PolarHBondContact O-N 3.08Å; H711-T714 PolarHBondContact O-OG1 3Å; T714-D716 VanDerWaalsContact C-N 3.31Å; T714-D716 PolarHBondContact O-N 2.85Å; T714-I717 PolarHBondContact O-N 2.62Å
715	N	31.9	Very low	34.7	Very low	117 Å²	117	130.1 Å²	130.1	63%	0.626	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-7.4	-167.4	-67.8	-16.3	0	0	0	115.4	I717	N715-I717 PolarHBondContact O-N 3.37Å
716	D	34.1	Very low	34	Very low	153 Å²	153	130.5 Å²	130.5	82%	0.818	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-11.4	170.8	-71.5	-38.2	0	0	0	113	T714 I718	T714-D716 VanDerWaalsContact C-N 3.31Å; T714-D716 PolarHBondContact O-N 2.85Å; D716-I718 VanDerWaalsContact C-N 3.31Å; D716-I718 PolarHBondContact O-N 3.08Å; D716-I718 VanDerWaalsContact O-N 3.13Å
717	I	34.3	Very low	33.4	Very low	144 Å²	144	131.8 Å²	131.8	74%	0.738	69%	0.69	S	S	*	*	S	Bend	trans	-89.4	72.2	173.1	-51.2	-175.9	0	0	0	110.4	T714 N715 F719	T714-I717 PolarHBondContact O-N 2.62Å; N715-I717 PolarHBondContact O-N 3.37Å; I717-F719 PolarHBondContact O-N 3.07Å
718	I	26.1	Very low	33	Very low	136 Å²	136	139.1 Å²	139.1	70%	0.697	72%	0.723	S	S	*	*			trans	16.8	92	152.8	-48.4	173	0	0	0	115.8	D716	D716-I718 VanDerWaalsContact C-N 3.31Å; D716-I718 PolarHBondContact O-N 3.08Å; D716-I718 VanDerWaalsContact O-N 3.13Å
719	F	29.2	Very low	32.6	Very low	196 Å²	196	135.4 Å²	135.4	86%	0.86	72%	0.722	S	S	*	*			trans	-130.7	95.6	146.8	-106.9	-83.5	0	0	0	110.3	I717 H721	I717-F719 PolarHBondContact O-N 3.07Å; F719-H721 PolarHBondContact O-N 3.02Å
720	K	25.5	Very low	32.3	Very low	188 Å²	188	138 Å²	138	82%	0.817	73%	0.728	S	S	*	*			trans	-76.1	85.1	178.2	-74.5	-174.7	173.7	-176.2	0	111.4
721	H	31.7	Very low	31.9	Very low	162 Å²	162	137.8 Å²	137.8	75%	0.75	74%	0.743	S	S	*	*			trans	-140.8	92.3	161.4	-85.7	-65.2	0	0	0	112.8	F719	F719-H721 PolarHBondContact O-N 3.02Å
722	T	27.6	Very low	31.6	Very low	122 Å²	122	141 Å²	141	75%	0.748	76%	0.764	S	S	*	*			trans	15.8	113.2	136.5	52.9	0	0	0	0	118.1
723	T	34.2	Very low	31.5	Very low	146 Å²	146	143 Å²	143	90%	0.896	77%	0.773	S	S	*	*				-167.4	158.7	94.9	30.9	0	0	0	0	111.8
724	T	28.7	Very low	31.3	Very low	129 Å²	129	141 Å²	141	79%	0.791	77%	0.772	S	S	*	*			trans	-103.9	138.1	177	47.7	0	0	0	0	111.7
725	T	34.3	Very low	30.9	Very low	145 Å²	145	142.4 Å²	142.4	89%	0.89	79%	0.785	S	S	*	*			trans	-160.7	158.1	136.8	13.6	0	0	0	0	111.5
726	N	30.4	Very low	30.7	Very low	145 Å²	145	144 Å²	144	78%	0.775	79%	0.794	S	S	*	*			trans	-76.1	153.2	-171.7	-49.4	-33.4	0	0	0	113
727	D	35.9	Very low	30.4	Very low	157 Å²	157	143.8 Å²	143.8	84%	0.84	79%	0.793	S	S	*	*			trans	-158.1	91.2	143	-109	-28	0	0	0	111.6	A729	D727-A729 PolarHBondContact O-N 3.25Å
728	Q	31.5	Very low	30.2	Very low	203 Å²	203	146 Å²	146	95%	0.949	80%	0.8	S	S	*	*			trans	-90	67.4	178.4	-70.3	-178.9	-45.2	0	0	111.1
729	A	34.2	Very low	30.3	Very low	80 Å²	80	143 Å²	143	66%	0.661	80%	0.803	S	S	*	*			trans	-134.1	-15.1	-172.2	0	0	0	0	0	117	D727	D727-A729 PolarHBondContact O-N 3.25Å
730	I	33.4	Very low	30.6	Very low	156 Å²	156	137.1 Å²	137.1	80%	0.8	78%	0.783	S	S	*	*			trans	-116.3	61.1	-168.4	-43.7	-178.6	0	0	0	111.6
731	G	28.7	Very low	31.2	Very low	67 Å²	67	138.2 Å²	138.2	69%	0.691	78%	0.782	S	S	*	*	S	Bend	trans	-88.8	-34.9	-177	0	0	0	0	0	116.2
732	N	28.4	Very low	31.8	Very low	156 Å²	156	134.4 Å²	134.4	83%	0.834	77%	0.767	S	S	*	*	S	Bend	trans	-122.3	15.8	-151.2	-68.2	-3.5	0	0	0	116.4
733	I	31	Very low	32.7	Very low	153 Å²	153	132.5 Å²	132.5	79%	0.785	75%	0.752	S	S	*	*	S	Bend	trans	-121.9	-14.3	-168.7	-63.4	-179.1	0	0	0	114.8
734	V	30.2	Very low	33.4	Very low	131 Å²	131	130.8 Å²	130.8	79%	0.794	74%	0.741	S	S	*	*			trans	-121.4	66	-175.1	-165.1	0	0	0	0	112.1
735	S	27.9	Very low	34.5	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	73%	0.734	S	S	*	*			trans	-120.2	25.5	176.1	54.7	0	0	0	0	113.6
736	N	27	Very low	35.7	Very low	151 Å²	151	134.8 Å²	134.8	81%	0.807	73%	0.731	S	S	*	*	S	Bend	trans	-154.5	88.4	170.6	-96.7	-35.9	0	0	0	110.4
737	N	28.3	Very low	37.6	Very low	148 Å²	148	133.7 Å²	133.7	79%	0.791	73%	0.725	S	S	*	*	S	Bend	trans	-177.5	118.9	152.6	-97.1	-30	0	0	0	111.6	G739	N737-G739 PolarHBondContact O-N 3.19Å; N737-G739 VanDerWaalsContact O-N 3.12Å
738	Q	30.9	Very low	39.9	Very low	191 Å²	191	127 Å²	127	89%	0.893	69%	0.69	S	S	*	*			trans	33.9	61.6	151.5	-62.3	179.5	-14.1	0	0	118	T740	Q738-T740 PolarHBondContact O-N 3.39Å
739	G	28.3	Very low	42.7	Very low	73 Å²	73	119.4 Å²	119.4	75%	0.753	65%	0.654	S	S	*	*			trans	-76.4	109	167.4	0	0	0	0	0	111.9	N737 R741	N737-G739 PolarHBondContact O-N 3.19Å; N737-G739 VanDerWaalsContact O-N 3.12Å; G739-R741 PolarHBondContact O-N 3.49Å
740	T	35	Very low	45.4	Very low	72 Å²	72	115.6 Å²	115.6	44%	0.442	62%	0.623	S	S	.	*			trans	-60.1	115.5	176.8	50.2	0	0	0	0	111.7	Q738 L742	Q738-T740 PolarHBondContact O-N 3.39Å; T740-L742 VanDerWaalsContact C-N 3.34Å; T740-L742 PolarHBondContact O-N 2.64Å
741	R	38.7	Very low	48.2	Very low	211 Å²	211	108.2 Å²	108.2	80%	0.796	59%	0.585	S	S	*	*			trans	-72.2	82.6	174.6	-83.9	-173.9	169.3	-179.6	-4.4	111.4	G739 N743	G739-R741 PolarHBondContact O-N 3.49Å; R741-N743 PolarHBondContact O-N 3.36Å
742	L	42.4	Very low	51.2	Low	82 Å²	82	105 Å²	105	43%	0.429	55%	0.552	S	S	.	*			trans	-70.4	85.6	157.3	-68.5	-170.5	0	0	0	108.7	L710 T740 T744	L710-L742 HydrophobicContact CD2-CD1 3.59Å; L710-L742 HydrophobicContact CD2-CG 4.02Å; T740-L742 VanDerWaalsContact C-N 3.34Å; T740-L742 PolarHBondContact O-N 2.64Å; L742-T744 VanDerWaalsContact C-N 3.31Å; L742-T744 PolarHBondContact O-N 2.98Å
743	N	47.6	Very low	54	Low	81 Å²	81	97.8 Å²	97.8	43%	0.433	51%	0.513	S	S	.	.			trans	-66.9	87.9	173.4	-75.3	-3.9	0	0	0	109.3	Y672 R741 E745	Y672-N743 WeakPolarHBondContact CE2-O 3.16Å; Y672-N743 PolarHBondContact OH-O 2.92Å; R741-N743 PolarHBondContact O-N 3.36Å; N743-E745 PolarHBondContact O-N 3.44Å
744	T	48.6	Very low	56.4	Low	110 Å²	110	90.9 Å²	90.9	68%	0.675	48%	0.48	S	S	*	.			trans	-70.3	7.9	179.9	49.4	0	0	0	0	114.4	L742 R746	L742-T744 VanDerWaalsContact C-N 3.31Å; L742-T744 PolarHBondContact O-N 2.98Å; T744-R746 PolarHBondContact O-N 2.82Å
745	E	52.5	Low	58.9	Low	139 Å²	139	84.8 Å²	84.8	65%	0.65	44%	0.443	S	S	*	.			trans	-70.7	118.6	178.9	-63.8	-170.1	-177.1	0	0	111.7	N743 N747	N743-E745 PolarHBondContact O-N 3.44Å; E745-N747 PolarHBondContact O-N 3.15Å
746	R	58.4	Low	61.3	Low	219 Å²	219	79.9 Å²	79.9	83%	0.826	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	16.7	179.3	-62.5	-179.1	176.2	176.5	-1.1	114.7	T744	T744-R746 PolarHBondContact O-N 2.82Å
747	N	71.8	Confident	63.6	Low	122 Å²	122	73.3 Å²	73.3	65%	0.652	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.5	23.8	-166.1	-69.8	-18.5	0	0	0	113.6	E745 Q749	E745-N747 PolarHBondContact O-N 3.15Å; N747-Q749 PolarHBondContact O-N 2.96Å
748	I	84.1	Confident	66.1	Low	17 Å²	17	66.4 Å²	66.4	9%	0.087	34%	0.337	C	S	.	.			trans	-53.5	125.2	177.6	-45.4	-174.8	0	0	0	110	Y672 I750 Y771 N772 D804	Y672-I748 HydrophobicContact CD2-CD1 3.6Å; Y672-I748 HydrophobicContact CE2-CD1 3.36Å; Y672-I748 HydrophobicContact CE2-CG1 4.31Å; Y672-I748 HydrophobicContact CG-CD1 4.31Å; I748-I750 HydrophobicContact CG2-CG1 4.13Å; I748-Y771 HydrophobicContact CB-CD1 3.85Å; I748-Y771 HydrophobicContact CB-CE1 4.21Å; I748-Y771 HydrophobicContact CB-CG 4.5Å; I748-Y771 HydrophobicContact CD1-CD1 3.97Å; I748-Y771 HydrophobicContact CD1-CE1 3.4Å; I748-Y771 VanDerWaalsContact CD1-CE1 3.4Å; I748-Y771 HydrophobicContact CG1-CD1 4.01Å; I748-Y771 HydrophobicContact CG1-CE1 3.91Å; I748-N772 PolarHBondContact O-N 3.26Å; I748-D804 HydrophobicContact CG2-CB 3.83Å
749	Q	89.1	Confident	68.7	Low	44 Å²	44	57.3 Å²	57.3	21%	0.206	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122	175.6	-65.8	-168.9	63.1	0	0	110	N747 N772 S803 D804 W805	N747-Q749 PolarHBondContact O-N 2.96Å; Q749-N772 WeakPolarHBondContact CA-O 3.29Å; Q749-N772 HydrophobicContact CG-CB 4.2Å; Q749-S803 CarbonylContact O-C 3.57Å; Q749-S803 WeakPolarHBondContact O-CA 3.32Å; Q749-S803 WeakPolarHBondContact O-CB 3.34Å; Q749-D804 PolarHBondContact N-OD2 2.96Å; Q749-D804 PolarHBondContact O-N 3.04Å; Q749-W805 PolarHBondContact O-N 3.29Å
750	I	91.5	Very high	71.4	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.2	-176.6	-56.9	-176.1	0	0	0	108.7	I748 I752 L766 Y771 N772 I773 R774 W805 I807	I748-I750 HydrophobicContact CG2-CG1 4.13Å; I750-I752 HydrophobicContact CG2-CG1 4.32Å; I750-L766 HydrophobicContact CD1-CD1 3.88Å; I750-L766 HydrophobicContact CG2-CD1 4.28Å; I750-Y771 HydrophobicContact CD1-CD2 3.49Å; I750-Y771 VanDerWaalsContact CD1-CD2 3.49Å; I750-Y771 HydrophobicContact CD1-CE2 4.21Å; I750-Y771 HydrophobicContact CD1-CG 3.81Å; I750-N772 PolarHBondContact N-O 3.04Å; I750-I773 CarbonylContact O-C 3.6Å; I750-I773 WeakPolarHBondContact O-CA 3.38Å; I750-R774 PolarHBondContact O-N 2.74Å; I750-W805 HydrophobicContact CG1-CB 4.31Å; I750-W805 HydrophobicContact CG2-CB 4.28Å; I750-I807 HydrophobicContact CG2-CD1 3.67Å; I750-I807 HydrophobicContact CG2-CG1 4.34Å
751	G	91.5	Very high	73.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.8	172.9	0	0	0	0	0	111.4	R774 I799 S803 W805 I807	G751-R774 CarbonylContact C-O 3.59Å; G751-I799 VanDerWaalsContact CA-CG2 3.47Å; G751-S803 WeakPolarHBondContact CA-OG 3.39Å; G751-S803 PolarHBondContact N-OG 2.76Å; G751-W805 PolarHBondContact N-O 3.17Å; G751-I807 PolarHBondContact O-N 3.25Å
752	I	91.3	Very high	76.2	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.9	174.8	-60.4	-179.3	0	0	0	108.5	I750 I762 I763 I773 R774 V775 F776 I807	I750-I752 HydrophobicContact CG2-CG1 4.32Å; I752-I762 HydrophobicContact CD1-CG2 4.38Å; I752-I763 HydrophobicContact CD1-CD1 4.16Å; I752-I763 HydrophobicContact CD1-CG1 3.49Å; I752-I763 VanDerWaalsContact CD1-CG1 3.49Å; I752-I773 HydrophobicContact CD1-CG2 3.66Å; I752-I773 HydrophobicContact CG1-CG2 4.19Å; I752-R774 PolarHBondContact N-O 3.38Å; I752-V775 CarbonylContact O-C 3.55Å; I752-V775 WeakPolarHBondContact O-CA 3.4Å; I752-F776 PolarHBondContact O-N 2.79Å; I752-I807 CarbonylContact C-O 3.57Å; I752-I807 WeakPolarHBondContact CA-O 3.37Å; I752-I807 HydrophobicContact CG1-CB 4.36Å; I752-I807 HydrophobicContact CG1-CD1 4.38Å
753	I	88.3	Confident	78.5	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.1	177.2	-56.8	179	0	0	0	108	F776 I806 I807 F808 I809 I835	I753-F776 WeakPolarHBondContact CA-O 3.25Å; I753-F776 HydrophobicContact CG2-CD1 4.32Å; I753-I806 HydrophobicContact CD1-CG2 4.01Å; I753-I807 PolarHBondContact N-O 3.2Å; I753-F808 HydrophobicContact CB-CB 4.27Å; I753-F808 HydrophobicContact CB-CD2 3.71Å; I753-F808 HydrophobicContact CB-CE2 4.4Å; I753-F808 HydrophobicContact CB-CG 4.23Å; I753-F808 HydrophobicContact CG2-CD2 3.5Å; I753-F808 HydrophobicContact CG2-CE2 3.69Å; I753-F808 HydrophobicContact CG2-CG 4.29Å; I753-F808 WeakPolarHBondContact O-CD2 3.44Å; I753-I809 PolarHBondContact O-N 3.32Å; I753-I809 VanDerWaalsContact O-N 3.08Å; I753-I835 HydrophobicContact CD1-CD1 4.44Å; I753-I835 HydrophobicContact CD1-CG2 4.31Å; I753-I835 HydrophobicContact CG2-CD1 4.21Å
754	G	82.1	Confident	80.3	Confident	8 Å²	8	36.4 Å²	36.4	8%	0.082	18%	0.175	C	C	.	.	S	Bend	trans	84.6	120.9	-174.3	0	0	0	0	0	112.7	S759 F776	G754-S759 PolarHBondContact O-OG 3.22Å; G754-F776 PolarHBondContact N-O 3.11Å
755	L	81.6	Confident	82.1	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.021	15%	0.15	C	C	.	.			trans	-108.1	76.8	-176.7	-173.7	72.6	0	0	0	111.7	W200 S759 L760 I763 V775 D777 L780 L788 F790	W200-L755 HydrophobicContact CH2-CD2 4.35Å; L755-S759 VanDerWaalsContact CA-OG 3.26Å; L755-S759 WeakPolarHBondContact CA-OG 3.11Å; L755-L760 HydrophobicContact CD1-CB 4.5Å; L755-I763 HydrophobicContact CD1-CD1 3.73Å; L755-V775 HydrophobicContact CB-CG1 4.4Å; L755-V775 HydrophobicContact CD1-CG1 4.19Å; L755-D777 HydrophobicContact CB-CB 4.2Å; L755-D777 PolarHBondContact N-OD2 3.47Å; L755-L780 HydrophobicContact CB-CD1 4.23Å; L755-L780 HydrophobicContact CB-CD2 4.03Å; L755-L780 HydrophobicContact CD2-CD1 3.66Å; L755-L780 HydrophobicContact CD2-CD2 3.97Å; L755-L788 HydrophobicContact CD2-CD1 4.44Å; L755-F790 HydrophobicContact CD1-CE1 4.35Å; L755-F790 HydrophobicContact CD1-CZ 4.44Å; L755-F790 HydrophobicContact CD2-CE1 4.01Å; L755-F790 HydrophobicContact CD2-CZ 3.66Å
756	G	77.9	Confident	83.8	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.01	12%	0.119	C	C	.	.			trans	-96	168.1	167.8	0	0	0	0	0	113.4	I758 S759 L760 E811	G756-I758 PolarHBondContact O-N 3.27Å; G756-S759 PolarHBondContact N-OG 3.08Å; G756-S759 PolarHBondContact O-N 2.03Å; G756-S759 PolarHBondContact O-OG 3.4Å; G756-L760 PolarHBondContact O-N 3.17Å; G756-L760 VanDerWaalsContact O-N 3.08Å; G756-E811 VanDerWaalsContact CA-OE1 3.28Å; G756-E811 WeakPolarHBondContact CA-OE1 3.37Å
757	P	76.1	Confident	84.9	Confident	14 Å²	14	19.5 Å²	19.5	9%	0.091	10%	0.098	C	C	.	.	H	α-helix	trans	-37.9	-42.7	172.4	-35.2	32.5	0	0	0	116.7	Y205 I209 V657 L760 T761 E811	Y205-P757 HydrophobicContact CE1-CG 4.43Å; I209-P757 HydrophobicContact CD1-CG 4.32Å; V657-P757 VanDerWaalsContact CG1-C 3.44Å; V657-P757 HydrophobicContact CG1-CB 4.14Å; V657-P757 WeakPolarHBondContact CG1-O 3.31Å; V657-P757 HydrophobicContact CG2-CB 4.33Å; P757-L760 PolarHBondContact O-N 3.43Å; P757-T761 PolarHBondContact O-N 3.06Å; P757-T761 PolarHBondContact O-OG1 3.31Å; P757-E811 VanDerWaalsContact CD-OE2 3.25Å; P757-E811 WeakPolarHBondContact CD-OE2 3.44Å
758	I	80.6	Confident	85.5	Confident	3 Å²	3	21.3 Å²	21.3	2%	0.015	10%	0.099	C	C	.	.	H	α-helix	trans	-67.3	-47.7	-179	-53.8	169.2	0	0	0	109.8	L655 V657 I664 G756 L760 T761 I762 I809 E811 L855	L655-I758 HydrophobicContact CD2-CD1 3.99Å; V657-I758 HydrophobicContact CG1-CB 4.48Å; V657-I758 HydrophobicContact CG1-CG1 4.28Å; I664-I758 HydrophobicContact CD1-CG2 3.86Å; G756-I758 PolarHBondContact O-N 3.27Å; I758-L760 VanDerWaalsContact C-N 3.33Å; I758-L760 PolarHBondContact O-N 2.99Å; I758-T761 PolarHBondContact O-N 2.97Å; I758-I762 HydrophobicContact CG2-CD1 3.91Å; I758-I762 WeakPolarHBondContact O-CG1 3.44Å; I758-I762 PolarHBondContact O-N 3.24Å; I758-I809 HydrophobicContact CG2-CD1 4.32Å; I758-E811 VanDerWaalsContact CB-OE1 3.31Å; I758-E811 WeakPolarHBondContact CB-OE1 3.4Å; I758-E811 HydrophobicContact CD1-CG 4.27Å; I758-E811 WeakPolarHBondContact CG1-OE1 3.46Å; I758-E811 PolarHBondContact N-OE1 3.35Å; I758-L855 HydrophobicContact CD1-CD1 3.64Å
759	S	86.1	Confident	85.4	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.7	-38.6	178.1	72.5	0	0	0	0	112.8	G754 L755 G756 T761 I762 I763	G754-S759 PolarHBondContact O-OG 3.22Å; L755-S759 VanDerWaalsContact CA-OG 3.26Å; L755-S759 WeakPolarHBondContact CA-OG 3.11Å; G756-S759 PolarHBondContact N-OG 3.08Å; G756-S759 PolarHBondContact O-N 2.03Å; G756-S759 PolarHBondContact O-OG 3.4Å; S759-T761 PolarHBondContact O-N 3.37Å; S759-I762 WeakPolarHBondContact O-CB 3.03Å; S759-I762 PolarHBondContact O-N 2.97Å; S759-I763 WeakPolarHBondContact O-CD1 3.42Å; S759-I763 VanDerWaalsContact O-CG1 3.24Å; S759-I763 WeakPolarHBondContact O-CG1 3.43Å; S759-I763 PolarHBondContact O-N 3.12Å
760	L	85.2	Confident	85	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-66.7	-36.2	176.7	-179.2	60.5	0	0	0	112.3	Y205 L213 L755 G756 P757 I758 R764 L788	Y205-L760 VanDerWaalsContact OH-CD2 3.25Å; Y205-L760 WeakPolarHBondContact OH-CD2 3.21Å; L213-L760 HydrophobicContact CD2-CD2 3.96Å; L755-L760 HydrophobicContact CD1-CB 4.5Å; G756-L760 PolarHBondContact O-N 3.17Å; G756-L760 VanDerWaalsContact O-N 3.08Å; P757-L760 PolarHBondContact O-N 3.43Å; I758-L760 VanDerWaalsContact C-N 3.33Å; I758-L760 PolarHBondContact O-N 2.99Å; L760-R764 WeakPolarHBondContact O-CG 3.01Å; L760-R764 PolarHBondContact O-N 2.9Å; L760-L788 HydrophobicContact CD1-CD1 4.28Å; L760-L788 HydrophobicContact CD1-CD2 4.18Å; L760-L788 HydrophobicContact CD2-CD2 4.36Å
761	T	85.1	Confident	84.7	Confident	11 Å²	11	30 Å²	30	7%	0.067	14%	0.142	C	C	.	.	H	α-helix	trans	-69.8	-40	173.9	-60.9	0	0	0	0	111.3	V657 A661 P757 I758 S759 R764 Q765	V657-T761 VanDerWaalsContact CG1-OG1 3.29Å; V657-T761 WeakPolarHBondContact CG1-OG1 3.43Å; A661-T761 HydrophobicContact CB-CG2 3.57Å; P757-T761 PolarHBondContact O-N 3.06Å; P757-T761 PolarHBondContact O-OG1 3.31Å; I758-T761 PolarHBondContact O-N 2.97Å; S759-T761 PolarHBondContact O-N 3.37Å; T761-R764 PolarHBondContact O-N 2.88Å; T761-Q765 WeakPolarHBondContact O-CB 3.45Å; T761-Q765 VanDerWaalsContact O-CG 3.31Å; T761-Q765 WeakPolarHBondContact O-CG 3.25Å; T761-Q765 PolarHBondContact O-N 3.42Å; T761-Q765 VanDerWaalsContact O-N 3.09Å
762	I	89.1	Confident	84.5	Confident	1 Å²	1	33 Å²	33	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-58	-49.2	172.5	-69.7	162	0	0	0	110.8	A661 I664 I752 I758 S759 R764 Q765 L766 I807 I809	A661-I762 HydrophobicContact CB-CG1 3.73Å; I664-I762 HydrophobicContact CB-CD1 4.1Å; I664-I762 HydrophobicContact CB-CG1 4.47Å; I664-I762 HydrophobicContact CD1-CD1 3.72Å; I664-I762 HydrophobicContact CG1-CD1 4.5Å; I664-I762 HydrophobicContact CG2-CD1 3.59Å; I664-I762 HydrophobicContact CG2-CG1 4.11Å; I752-I762 HydrophobicContact CD1-CG2 4.38Å; I758-I762 HydrophobicContact CG2-CD1 3.91Å; I758-I762 WeakPolarHBondContact O-CG1 3.44Å; I758-I762 PolarHBondContact O-N 3.24Å; S759-I762 WeakPolarHBondContact O-CB 3.03Å; S759-I762 PolarHBondContact O-N 2.97Å; I762-R764 PolarHBondContact O-N 2.89Å; I762-Q765 PolarHBondContact O-N 2.83Å; I762-Q765 VanDerWaalsContact O-N 3.14Å; I762-L766 HydrophobicContact CG2-CD1 3.42Å; I762-L766 VanDerWaalsContact CG2-CD1 3.42Å; I762-L766 HydrophobicContact CG2-CG 3.97Å; I762-L766 WeakPolarHBondContact O-CB 3.49Å; I762-L766 WeakPolarHBondContact O-CG 3.42Å; I762-L766 PolarHBondContact O-N 3.12Å; I762-I807 HydrophobicContact CG2-CD1 4.45Å; I762-I809 HydrophobicContact CD1-CD1 3.73Å
763	I	89	Confident	84.4	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-52.7	-56.1	177.6	-69.9	160.9	0	0	0	110.2	I752 L755 S759 Q765 L766 E767 I773 V775 F790	I752-I763 HydrophobicContact CD1-CD1 4.16Å; I752-I763 HydrophobicContact CD1-CG1 3.49Å; I752-I763 VanDerWaalsContact CD1-CG1 3.49Å; L755-I763 HydrophobicContact CD1-CD1 3.73Å; S759-I763 WeakPolarHBondContact O-CD1 3.42Å; S759-I763 VanDerWaalsContact O-CG1 3.24Å; S759-I763 WeakPolarHBondContact O-CG1 3.43Å; S759-I763 PolarHBondContact O-N 3.12Å; I763-Q765 PolarHBondContact O-N 3.19Å; I763-Q765 VanDerWaalsContact O-N 3.1Å; I763-L766 PolarHBondContact O-N 3.41Å; I763-E767 HydrophobicContact CG2-CG 4.36Å; I763-E767 WeakPolarHBondContact CG2-OE1 3.46Å; I763-E767 VanDerWaalsContact O-CG 3.28Å; I763-E767 WeakPolarHBondContact O-CG 3.35Å; I763-E767 PolarHBondContact O-N 2.87Å; I763-I773 HydrophobicContact CG1-CG2 4.2Å; I763-I773 HydrophobicContact CG2-CD1 4.4Å; I763-V775 HydrophobicContact CD1-CG2 3.69Å; I763-V775 HydrophobicContact CG1-CG2 4.46Å; I763-F790 HydrophobicContact CG2-CB 4.49Å
764	R	86.3	Confident	84.4	Confident	63 Å²	63	34.8 Å²	34.8	24%	0.238	17%	0.165	C	C	.	.	H	α-helix	trans	-63.9	-16.4	-178.6	-70.2	173.6	171.8	-143	-5.2	115.1	L760 T761 I762 K768	L760-R764 WeakPolarHBondContact O-CG 3.01Å; L760-R764 PolarHBondContact O-N 2.9Å; T761-R764 PolarHBondContact O-N 2.88Å; I762-R764 PolarHBondContact O-N 2.89Å; R764-K768 VanDerWaalsContact O-CE 3.29Å; R764-K768 WeakPolarHBondContact O-CE 3.5Å
765	Q	87	Confident	84.8	Confident	32 Å²	32	34.4 Å²	34.4	15%	0.15	16%	0.162	C	C	.	.	H	α-helix	trans	-94	-42.6	174.4	-73.3	179.4	-21.6	0	0	111.2	A661 D662 I665 T761 I762 I763 K768 F769	A661-Q765 VanDerWaalsContact CB-OE1 3.28Å; D662-Q765 PolarHBondContact OD1-NE2 3.25Å; I665-Q765 HydrophobicContact CD1-CB 3.28Å; I665-Q765 HydrophobicContact CD1-CG 4.31Å; I665-Q765 VanDerWaalsContact CD1-OE1 3.29Å; T761-Q765 WeakPolarHBondContact O-CB 3.45Å; T761-Q765 VanDerWaalsContact O-CG 3.31Å; T761-Q765 WeakPolarHBondContact O-CG 3.25Å; T761-Q765 PolarHBondContact O-N 3.42Å; T761-Q765 VanDerWaalsContact O-N 3.09Å; I762-Q765 PolarHBondContact O-N 2.83Å; I762-Q765 VanDerWaalsContact O-N 3.14Å; I763-Q765 PolarHBondContact O-N 3.19Å; I763-Q765 VanDerWaalsContact O-N 3.1Å; Q765-K768 WeakPolarHBondContact O-CB 3.41Å; Q765-K768 PolarHBondContact O-N 3.46Å; Q765-F769 WeakPolarHBondContact O-CD2 3.36Å; Q765-F769 WeakPolarHBondContact O-CE2 3.27Å
766	L	87.1	Confident	85	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-70.6	-29.6	178.6	-71.3	179.7	0	0	0	113.4	I665 I668 I750 I762 I763 K768 F769 Y771 I773	I665-L766 HydrophobicContact CD1-CD2 3.74Å; I665-L766 HydrophobicContact CD1-CG 3.73Å; I665-L766 HydrophobicContact CG1-CD2 3.8Å; I665-L766 HydrophobicContact CG1-CG 4.06Å; I665-L766 HydrophobicContact CG2-CD2 4.15Å; I668-L766 HydrophobicContact CD1-CD1 4.24Å; I668-L766 HydrophobicContact CD1-CD2 4.48Å; I750-L766 HydrophobicContact CD1-CD1 3.88Å; I750-L766 HydrophobicContact CG2-CD1 4.28Å; I762-L766 HydrophobicContact CG2-CD1 3.42Å; I762-L766 VanDerWaalsContact CG2-CD1 3.42Å; I762-L766 HydrophobicContact CG2-CG 3.97Å; I762-L766 WeakPolarHBondContact O-CB 3.49Å; I762-L766 WeakPolarHBondContact O-CG 3.42Å; I762-L766 PolarHBondContact O-N 3.12Å; I763-L766 PolarHBondContact O-N 3.41Å; L766-K768 PolarHBondContact O-N 3Å; L766-K768 VanDerWaalsContact O-N 3.08Å; L766-F769 WeakPolarHBondContact O-CB 3.17Å; L766-F769 PolarHBondContact O-N 3.21Å; L766-Y771 HydrophobicContact CB-CD2 4.33Å; L766-Y771 HydrophobicContact CD2-CD2 3.93Å; L766-Y771 HydrophobicContact CD2-CE2 3.96Å; L766-I773 HydrophobicContact CB-CD1 3.57Å; L766-I773 HydrophobicContact CB-CG1 4.47Å
767	E	82.8	Confident	85.3	Confident	81 Å²	81	35.3 Å²	35.3	38%	0.379	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-50.5	-33.2	172	-81.7	166.8	177	0	0	112.4	I763 F769 N770 I773	I763-E767 HydrophobicContact CG2-CG 4.36Å; I763-E767 WeakPolarHBondContact CG2-OE1 3.46Å; I763-E767 VanDerWaalsContact O-CG 3.28Å; I763-E767 WeakPolarHBondContact O-CG 3.35Å; I763-E767 PolarHBondContact O-N 2.87Å; E767-F769 PolarHBondContact O-N 3.47Å; E767-N770 PolarHBondContact O-N 3.47Å; E767-I773 HydrophobicContact CG-CD1 4.19Å
768	K	83.7	Confident	85.4	Confident	159 Å²	159	39.2 Å²	39.2	69%	0.691	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-69.8	-14.6	-179.6	-56.7	171.3	-174.5	166.5	0	113.8	R764 Q765 L766	R764-K768 VanDerWaalsContact O-CE 3.29Å; R764-K768 WeakPolarHBondContact O-CE 3.5Å; Q765-K768 WeakPolarHBondContact O-CB 3.41Å; Q765-K768 PolarHBondContact O-N 3.46Å; L766-K768 PolarHBondContact O-N 3Å; L766-K768 VanDerWaalsContact O-N 3.08Å
769	F	82.7	Confident	85	Confident	84 Å²	84	41.5 Å²	41.5	37%	0.368	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-97.7	3.7	178.4	-62.5	-100	0	0	0	112.3	L669 Q765 L766 E767 Y771	L669-F769 HydrophobicContact CD1-CE1 3.99Å; L669-F769 HydrophobicContact CD1-CZ 3.95Å; L669-F769 HydrophobicContact CD2-CD1 4.22Å; L669-F769 HydrophobicContact CD2-CE1 3.9Å; L669-F769 HydrophobicContact CD2-CZ 4.46Å; Q765-F769 WeakPolarHBondContact O-CD2 3.36Å; Q765-F769 WeakPolarHBondContact O-CE2 3.27Å; L766-F769 WeakPolarHBondContact O-CB 3.17Å; L766-F769 PolarHBondContact O-N 3.21Å; E767-F769 PolarHBondContact O-N 3.47Å; F769-Y771 HydrophobicContact CB-CD1 4.32Å; F769-Y771 HydrophobicContact CB-CD2 3.66Å; F769-Y771 HydrophobicContact CB-CE1 4.12Å; F769-Y771 HydrophobicContact CB-CE2 3.45Å; F769-Y771 VanDerWaalsContact CB-CE2 3.45Å; F769-Y771 HydrophobicContact CB-CG 4.12Å; F769-Y771 HydrophobicContact CD1-CE2 4.41Å; F769-Y771 HydrophobicContact CG-CD2 4.46Å; F769-Y771 AromaticContact CG-CE2 3.93Å; F769-Y771 HydrophobicContact CG-CE2 3.93Å; F769-Y771 PolarHBondContact O-N 2.78Å
770	N	80.9	Confident	84.4	Confident	135 Å²	135	42.4 Å²	42.4	72%	0.722	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	22.3	-175.5	-57.4	-43.3	0	0	0	114.9	E767	E767-N770 PolarHBondContact O-N 3.47Å
771	Y	84.9	Confident	83.8	Confident	24 Å²	24	43.1 Å²	43.1	9%	0.094	20%	0.201	C	C	.	.			trans	-69.6	147.1	174.4	-58.1	-38.4	0	0	0	111.7	I748 I750 L766 F769 I773	I748-Y771 HydrophobicContact CB-CD1 3.85Å; I748-Y771 HydrophobicContact CB-CE1 4.21Å; I748-Y771 HydrophobicContact CB-CG 4.5Å; I748-Y771 HydrophobicContact CD1-CD1 3.97Å; I748-Y771 HydrophobicContact CD1-CE1 3.4Å; I748-Y771 VanDerWaalsContact CD1-CE1 3.4Å; I748-Y771 HydrophobicContact CG1-CD1 4.01Å; I748-Y771 HydrophobicContact CG1-CE1 3.91Å; I750-Y771 HydrophobicContact CD1-CD2 3.49Å; I750-Y771 VanDerWaalsContact CD1-CD2 3.49Å; I750-Y771 HydrophobicContact CD1-CE2 4.21Å; I750-Y771 HydrophobicContact CD1-CG 3.81Å; L766-Y771 HydrophobicContact CB-CD2 4.33Å; L766-Y771 HydrophobicContact CD2-CD2 3.93Å; L766-Y771 HydrophobicContact CD2-CE2 3.96Å; F769-Y771 HydrophobicContact CB-CD1 4.32Å; F769-Y771 HydrophobicContact CB-CD2 3.66Å; F769-Y771 HydrophobicContact CB-CE1 4.12Å; F769-Y771 HydrophobicContact CB-CE2 3.45Å; F769-Y771 VanDerWaalsContact CB-CE2 3.45Å; F769-Y771 HydrophobicContact CB-CG 4.12Å; F769-Y771 HydrophobicContact CD1-CE2 4.41Å; F769-Y771 HydrophobicContact CG-CD2 4.46Å; F769-Y771 AromaticContact CG-CE2 3.93Å; F769-Y771 HydrophobicContact CG-CE2 3.93Å; F769-Y771 PolarHBondContact O-N 2.78Å; Y771-I773 PolarHBondContact O-N 2.84Å
772	N	86.3	Confident	83.2	Confident	64 Å²	64	48.9 Å²	48.9	34%	0.342	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	92.9	178.5	-173.8	-8.2	0	0	0	109.7	I748 Q749 I750 N791	I748-N772 PolarHBondContact O-N 3.26Å; Q749-N772 WeakPolarHBondContact CA-O 3.29Å; Q749-N772 HydrophobicContact CG-CB 4.2Å; I750-N772 PolarHBondContact N-O 3.04Å; N772-N791 PolarHBondContact OD1-ND2 3.46Å
773	I	89.5	Confident	82.5	Confident	10 Å²	10	50 Å²	50	5%	0.051	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	135.4	-176.7	-48.6	174.1	0	0	0	110.1	I750 I752 I763 L766 E767 Y771 N791	I750-I773 CarbonylContact O-C 3.6Å; I750-I773 WeakPolarHBondContact O-CA 3.38Å; I752-I773 HydrophobicContact CD1-CG2 3.66Å; I752-I773 HydrophobicContact CG1-CG2 4.19Å; I763-I773 HydrophobicContact CG1-CG2 4.2Å; I763-I773 HydrophobicContact CG2-CD1 4.4Å; L766-I773 HydrophobicContact CB-CD1 3.57Å; L766-I773 HydrophobicContact CB-CG1 4.47Å; E767-I773 HydrophobicContact CG-CD1 4.19Å; Y771-I773 PolarHBondContact O-N 2.84Å; I773-N791 WeakPolarHBondContact O-CB 3.41Å; I773-N791 PolarHBondContact O-ND2 3.16Å; I773-N791 VanDerWaalsContact O-ND2 3.11Å
774	R	89.5	Confident	81.9	Confident	32 Å²	32	50 Å²	50	12%	0.121	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.1	177.5	-66.1	163	167.8	-84	1.3	109.1	I750 G751 I752 N791 E798 I799	I750-R774 PolarHBondContact O-N 2.74Å; G751-R774 CarbonylContact C-O 3.59Å; I752-R774 PolarHBondContact N-O 3.38Å; R774-N791 WeakPolarHBondContact CA-O 3.37Å; R774-E798 IonicContact CZ-OE1 2.74Å; R774-E798 IonicContact NH1-OE1 2.91Å; R774-E798 PolarHBondContact NH1-OE1 3.07Å; R774-E798 IonicContact NH2-OE1 3.33Å; R774-I799 HydrophobicContact CB-CD1 4.32Å; R774-I799 HydrophobicContact CB-CG1 4.2Å
775	V	88.9	Confident	81.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.7	-176.7	-175.1	0	0	0	0	110.6	I752 L755 I763 F790 N791 Y792 T793	I752-V775 CarbonylContact O-C 3.55Å; I752-V775 WeakPolarHBondContact O-CA 3.4Å; L755-V775 HydrophobicContact CB-CG1 4.4Å; L755-V775 HydrophobicContact CD1-CG1 4.19Å; I763-V775 HydrophobicContact CD1-CG2 3.69Å; I763-V775 HydrophobicContact CG1-CG2 4.46Å; V775-F790 HydrophobicContact CB-CD2 3.81Å; V775-F790 HydrophobicContact CB-CE2 3.73Å; V775-F790 HydrophobicContact CG1-CD2 4.49Å; V775-F790 HydrophobicContact CG1-CE2 3.97Å; V775-F790 HydrophobicContact CG1-CZ 4.37Å; V775-F790 HydrophobicContact CG2-CD2 3.61Å; V775-F790 HydrophobicContact CG2-CE2 3.93Å; V775-F790 HydrophobicContact CG2-CG 4.05Å; V775-N791 PolarHBondContact N-O 2.88Å; V775-Y792 CarbonylContact O-C 3.6Å; V775-Y792 WeakPolarHBondContact O-CA 3.46Å; V775-Y792 WeakPolarHBondContact O-CD2 3.37Å; V775-T793 PolarHBondContact O-N 2.99Å; V775-T793 PolarHBondContact O-OG1 2.96Å
776	F	87.1	Confident	81.1	Confident	15 Å²	15	53.3 Å²	53.3	7%	0.066	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.2	166.4	173.1	-79.8	0	0	0	109.3	I752 I753 G754 K778 T793 Y796 I799 L830	I752-F776 PolarHBondContact O-N 2.79Å; I753-F776 WeakPolarHBondContact CA-O 3.25Å; I753-F776 HydrophobicContact CG2-CD1 4.32Å; G754-F776 PolarHBondContact N-O 3.11Å; F776-K778 HydrophobicContact CE1-CB 4.24Å; F776-K778 HydrophobicContact CZ-CB 4.25Å; F776-T793 VanDerWaalsContact CD2-O 3.25Å; F776-T793 WeakPolarHBondContact CD2-O 3.28Å; F776-Y796 VanDerWaalsContact CD2-N 3.27Å; F776-Y796 HydrophobicContact CE2-CD1 4.27Å; F776-Y796 HydrophobicContact CZ-CD1 4.09Å; F776-I799 HydrophobicContact CB-CD1 3.55Å; F776-L830 HydrophobicContact CE1-CD1 3.42Å; F776-L830 VanDerWaalsContact CE1-CD1 3.42Å; F776-L830 HydrophobicContact CZ-CD1 3.94Å
777	D	82.6	Confident	80.5	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.043	29%	0.292	C	S	.	.			trans	-153.9	126.2	164.2	179	-16.2	0	0	0	109	L755 F779 L780 Y792	L755-D777 HydrophobicContact CB-CB 4.2Å; L755-D777 PolarHBondContact N-OD2 3.47Å; D777-F779 PolarHBondContact O-N 3.34Å; D777-F779 VanDerWaalsContact O-N 3.16Å; D777-F779 VanDerWaalsContact OD1-CD2 3.28Å; D777-F779 WeakPolarHBondContact OD1-CD2 3.5Å; D777-F779 PolarHBondContact OD1-N 3.07Å; D777-L780 HydrophobicContact CB-CD1 4.02Å; D777-L780 HydrophobicContact CB-CD2 3.94Å; D777-L780 HydrophobicContact CB-CG 3.72Å; D777-Y792 PolarHBondContact O-OH 3.04Å; D777-Y792 VanDerWaalsContact O-OH 3.06Å
778	K	78.4	Confident	80.3	Confident	96 Å²	96	54 Å²	54	42%	0.417	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.6	-176.4	-176.4	178.5	176.1	-175.7	0	113.4	F776 S828 L830	F776-K778 HydrophobicContact CE1-CB 4.24Å; F776-K778 HydrophobicContact CZ-CB 4.25Å; K778-S828 PolarHBondContact NZ-O 3.24Å; K778-S828 PolarHBondContact NZ-OG 3.15Å; K778-L830 HydrophobicContact CB-CD1 4.07Å; K778-L830 HydrophobicContact CD-CD1 4.01Å; K778-L830 HydrophobicContact CD-CG 4.21Å
779	F	73	Confident	80	Confident	52 Å²	52	53.1 Å²	53.1	23%	0.228	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	10.8	-171	-50.3	-64	0	0	0	114	W200 D777 I814 M818 L829	W200-F779 PolarHBondContact NE1-O 3.13Å; D777-F779 PolarHBondContact O-N 3.34Å; D777-F779 VanDerWaalsContact O-N 3.16Å; D777-F779 VanDerWaalsContact OD1-CD2 3.28Å; D777-F779 WeakPolarHBondContact OD1-CD2 3.5Å; D777-F779 PolarHBondContact OD1-N 3.07Å; F779-I814 HydrophobicContact CD2-CG2 4.03Å; F779-M818 HydrophobicContact CD1-CE 4.19Å; F779-M818 HydrophobicContact CD1-SD 3.79Å; F779-M818 HydrophobicContact CE1-CE 3.36Å; F779-M818 HydrophobicContact CE1-SD 3.56Å; F779-M818 VanDerWaalsContact CE1-SD 3.56Å; F779-M818 HydrophobicContact CE2-CE 4.28Å; F779-M818 HydrophobicContact CZ-CE 3.41Å; F779-M818 VanDerWaalsContact CZ-CE 3.41Å; F779-M818 HydrophobicContact CZ-SD 4.11Å; F779-L829 HydrophobicContact CE2-CD1 4.04Å; F779-L829 HydrophobicContact CZ-CD1 4.39Å
780	L	72.5	Confident	80	Confident	18 Å²	18	49.9 Å²	49.9	9%	0.094	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-85	147.3	177.2	-48.8	-169.6	0	0	0	112.4	W200 L755 D777 I784 Y792	W200-L780 HydrophobicContact CH2-CD2 3.35Å; W200-L780 HydrophobicContact CZ2-CD2 3.19Å; W200-L780 HydrophobicContact CZ3-CD2 4.33Å; L755-L780 HydrophobicContact CB-CD1 4.23Å; L755-L780 HydrophobicContact CB-CD2 4.03Å; L755-L780 HydrophobicContact CD2-CD1 3.66Å; L755-L780 HydrophobicContact CD2-CD2 3.97Å; D777-L780 HydrophobicContact CB-CD1 4.02Å; D777-L780 HydrophobicContact CB-CD2 3.94Å; D777-L780 HydrophobicContact CB-CG 3.72Å; L780-I784 HydrophobicContact CB-CG2 3.94Å; L780-I784 HydrophobicContact CD1-CG1 4.47Å; L780-I784 HydrophobicContact CD1-CG2 3.78Å; L780-I784 HydrophobicContact CG-CG2 4.48Å; L780-Y792 HydrophobicContact CD1-CD2 4.04Å; L780-Y792 HydrophobicContact CD1-CE2 3.62Å; L780-Y792 HydrophobicContact CG-CE2 4.32Å
781	P	72.6	Confident	80.1	Confident	20 Å²	20	48 Å²	48	13%	0.13	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-76.1	146.3	167.8	32.9	-34.4	0	0	0	110.7	P197 W200 I784	P197-P781 HydrophobicContact CB-CG 4.19Å; P197-P781 HydrophobicContact CG-CB 4.32Å; P197-P781 HydrophobicContact CG-CG 4.3Å; W200-P781 HydrophobicContact CB-CG 3.87Å; W200-P781 VanDerWaalsContact CD2-CD 3.4Å; W200-P781 HydrophobicContact CD2-CG 3.91Å; W200-P781 HydrophobicContact CE3-CG 4.16Å; W200-P781 HydrophobicContact CG-CG 3.77Å; P781-I784 WeakPolarHBondContact O-CB 3.4Å; P781-I784 WeakPolarHBondContact O-CG2 3.48Å; P781-I784 PolarHBondContact O-N 3.11Å
782	D	73.5	Confident	80.1	Confident	131 Å²	131	49.1 Å²	49.1	70%	0.701	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	142.9	171.9	-64.8	-51.6	0	0	0	111.6	I784	D782-I784 VanDerWaalsContact C-N 3.33Å
783	G	74.8	Confident	80	Confident	25 Å²	25	46.6 Å²	46.6	26%	0.258	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-2.4	-178.3	0	0	0	0	0	115	D785 T786 V787	G783-D785 WeakPolarHBondContact CA-OD1 3.44Å; G783-D785 PolarHBondContact O-N 2.6Å; G783-T786 PolarHBondContact O-N 3.47Å; G783-T786 VanDerWaalsContact O-N 3.08Å; G783-T786 PolarHBondContact O-OG1 2.98Å; G783-V787 PolarHBondContact O-N 3.35Å
784	I	75.7	Confident	79.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55.8	-34.8	174.9	-168	61.8	0	0	0	112.8	W200 F201 L780 P781 D782 V787 L788 F790 Y792	W200-I784 HydrophobicContact CE3-CD1 3.76Å; W200-I784 HydrophobicContact CZ3-CD1 3.57Å; W200-I784 HydrophobicContact CZ3-CG1 4.15Å; F201-I784 HydrophobicContact CD2-CD1 3.98Å; F201-I784 HydrophobicContact CE2-CD1 3.57Å; L780-I784 HydrophobicContact CB-CG2 3.94Å; L780-I784 HydrophobicContact CD1-CG1 4.47Å; L780-I784 HydrophobicContact CD1-CG2 3.78Å; L780-I784 HydrophobicContact CG-CG2 4.48Å; P781-I784 WeakPolarHBondContact O-CB 3.4Å; P781-I784 WeakPolarHBondContact O-CG2 3.48Å; P781-I784 PolarHBondContact O-N 3.11Å; D782-I784 VanDerWaalsContact C-N 3.33Å; I784-V787 PolarHBondContact O-N 3.29Å; I784-L788 HydrophobicContact CD1-CD1 3.98Å; I784-L788 HydrophobicContact CG1-CD1 4.14Å; I784-L788 PolarHBondContact O-N 2.91Å; I784-F790 HydrophobicContact CG1-CZ 4.47Å; I784-F790 HydrophobicContact CG2-CZ 4.46Å; I784-Y792 HydrophobicContact CG2-CD1 4.48Å
785	D	77.9	Confident	79.2	Confident	57 Å²	57	53.6 Å²	53.6	31%	0.305	29%	0.289	S	S	.	.	H	α-helix	trans	-58.5	-43.5	174.8	65.1	-44	0	0	0	111.8	G783 V787 N789 Y792	G783-D785 WeakPolarHBondContact CA-OD1 3.44Å; G783-D785 PolarHBondContact O-N 2.6Å; D785-V787 VanDerWaalsContact C-N 3.31Å; D785-V787 PolarHBondContact O-N 3.2Å; D785-N789 WeakPolarHBondContact O-CA 3.2Å; D785-N789 PolarHBondContact O-N 2.86Å; D785-Y792 HydrophobicContact CB-CG 4.48Å
786	T	78.5	Confident	79.1	Confident	109 Å²	109	55.9 Å²	55.9	67%	0.669	30%	0.298	S	S	*	.	H	α-helix	trans	-72.9	-23.6	177.3	71	0	0	0	0	113.2	G783	G783-T786 PolarHBondContact O-N 3.47Å; G783-T786 VanDerWaalsContact O-N 3.08Å; G783-T786 PolarHBondContact O-OG1 2.98Å
787	V	75.8	Confident	79	Confident	74 Å²	74	57.6 Å²	57.6	45%	0.448	31%	0.306	S	S	.	.	H	α-helix	trans	-86.8	-32.1	179.9	179.9	0	0	0	0	111.9	F201 G783 I784 D785	F201-V787 HydrophobicContact CD2-CG1 4.43Å; F201-V787 HydrophobicContact CE2-CB 4.29Å; F201-V787 HydrophobicContact CE2-CG1 3.5Å; F201-V787 VanDerWaalsContact CE2-CG1 3.5Å; F201-V787 HydrophobicContact CZ-CG1 3.77Å; G783-V787 PolarHBondContact O-N 3.35Å; I784-V787 PolarHBondContact O-N 3.29Å; D785-V787 VanDerWaalsContact C-N 3.31Å; D785-V787 PolarHBondContact O-N 3.2Å
788	L	77.2	Confident	79.1	Confident	22 Å²	22	60.2 Å²	60.2	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-106.7	-8.4	-179.3	-74.6	172.1	0	0	0	114.5	F201 L755 L760 I784 F790	F201-L788 HydrophobicContact CE1-CD2 4.34Å; F201-L788 HydrophobicContact CE2-CD1 4.25Å; F201-L788 HydrophobicContact CE2-CG 4.19Å; F201-L788 HydrophobicContact CZ-CD1 3.96Å; F201-L788 HydrophobicContact CZ-CD2 3.65Å; F201-L788 HydrophobicContact CZ-CG 3.71Å; L755-L788 HydrophobicContact CD2-CD1 4.44Å; L760-L788 HydrophobicContact CD1-CD1 4.28Å; L760-L788 HydrophobicContact CD1-CD2 4.18Å; L760-L788 HydrophobicContact CD2-CD2 4.36Å; I784-L788 HydrophobicContact CD1-CD1 3.98Å; I784-L788 HydrophobicContact CG1-CD1 4.14Å; I784-L788 PolarHBondContact O-N 2.91Å; L788-F790 HydrophobicContact CB-CD1 3.58Å; L788-F790 HydrophobicContact CB-CE1 3.38Å; L788-F790 HydrophobicContact CB-CZ 4.38Å; L788-F790 HydrophobicContact CD1-CE1 3.7Å; L788-F790 HydrophobicContact CD1-CZ 4.43Å; L788-F790 HydrophobicContact CG-CE1 4.16Å
789	N	78.6	Confident	79.6	Confident	139 Å²	139	55.6 Å²	55.6	74%	0.743	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	49.9	175.4	-165	90.2	0	0	0	114.1	D785	D785-N789 WeakPolarHBondContact O-CA 3.2Å; D785-N789 PolarHBondContact O-N 2.86Å
790	F	81.5	Confident	80.4	Confident	17 Å²	17	53.2 Å²	53.2	8%	0.075	29%	0.287	C	S	.	.	S	Bend	trans	-127.8	160.4	172.5	60.1	-112.8	0	0	0	112.1	L755 I763 V775 I784 L788 Y792	L755-F790 HydrophobicContact CD1-CE1 4.35Å; L755-F790 HydrophobicContact CD1-CZ 4.44Å; L755-F790 HydrophobicContact CD2-CE1 4.01Å; L755-F790 HydrophobicContact CD2-CZ 3.66Å; I763-F790 HydrophobicContact CG2-CB 4.49Å; V775-F790 HydrophobicContact CB-CD2 3.81Å; V775-F790 HydrophobicContact CB-CE2 3.73Å; V775-F790 HydrophobicContact CG1-CD2 4.49Å; V775-F790 HydrophobicContact CG1-CE2 3.97Å; V775-F790 HydrophobicContact CG1-CZ 4.37Å; V775-F790 HydrophobicContact CG2-CD2 3.61Å; V775-F790 HydrophobicContact CG2-CE2 3.93Å; V775-F790 HydrophobicContact CG2-CG 4.05Å; I784-F790 HydrophobicContact CG1-CZ 4.47Å; I784-F790 HydrophobicContact CG2-CZ 4.46Å; L788-F790 HydrophobicContact CB-CD1 3.58Å; L788-F790 HydrophobicContact CB-CE1 3.38Å; L788-F790 HydrophobicContact CB-CZ 4.38Å; L788-F790 HydrophobicContact CD1-CE1 3.7Å; L788-F790 HydrophobicContact CD1-CZ 4.43Å; L788-F790 HydrophobicContact CG-CE1 4.16Å; F790-Y792 HydrophobicContact CE2-CD2 4.28Å; F790-Y792 HydrophobicContact CE2-CG 4.43Å; F790-Y792 PolarHBondContact O-N 2.82Å
791	N	83.4	Confident	81	Confident	96 Å²	96	56.5 Å²	56.5	51%	0.513	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	95	176.3	-54	-51.3	0	0	0	110.5	N772 I773 R774 V775	N772-N791 PolarHBondContact OD1-ND2 3.46Å; I773-N791 WeakPolarHBondContact O-CB 3.41Å; I773-N791 PolarHBondContact O-ND2 3.16Å; I773-N791 VanDerWaalsContact O-ND2 3.11Å; R774-N791 WeakPolarHBondContact CA-O 3.37Å; V775-N791 PolarHBondContact N-O 2.88Å
792	Y	84.2	Confident	81.7	Confident	47 Å²	47	61.5 Å²	61.5	18%	0.184	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	149.6	171.6	-176	-127.8	0	0	0	111.3	V775 D777 L780 I784 D785 F790 N794	V775-Y792 CarbonylContact O-C 3.6Å; V775-Y792 WeakPolarHBondContact O-CA 3.46Å; V775-Y792 WeakPolarHBondContact O-CD2 3.37Å; D777-Y792 PolarHBondContact O-OH 3.04Å; D777-Y792 VanDerWaalsContact O-OH 3.06Å; L780-Y792 HydrophobicContact CD1-CD2 4.04Å; L780-Y792 HydrophobicContact CD1-CE2 3.62Å; L780-Y792 HydrophobicContact CG-CE2 4.32Å; I784-Y792 HydrophobicContact CG2-CD1 4.48Å; D785-Y792 HydrophobicContact CB-CG 4.48Å; F790-Y792 HydrophobicContact CE2-CD2 4.28Å; F790-Y792 HydrophobicContact CE2-CG 4.43Å; F790-Y792 PolarHBondContact O-N 2.82Å; Y792-N794 WeakPolarHBondContact CD1-OD1 3.26Å; Y792-N794 WeakPolarHBondContact CE1-OD1 3.22Å
793	T	83.9	Confident	82.5	Confident	11 Å²	11	55.2 Å²	55.2	7%	0.067	29%	0.285	C	S	.	.			trans	-135.3	130.1	178.4	52.1	0	0	0	0	109.7	V775 F776 N795	V775-T793 PolarHBondContact O-N 2.99Å; V775-T793 PolarHBondContact O-OG1 2.96Å; F776-T793 VanDerWaalsContact CD2-O 3.25Å; F776-T793 WeakPolarHBondContact CD2-O 3.28Å; T793-N795 VanDerWaalsContact C-N 3.26Å; T793-N795 PolarHBondContact O-N 2.76Å
794	N	79.8	Confident	83.2	Confident	118 Å²	118	55.8 Å²	55.8	63%	0.631	28%	0.282	S	S	*	.	S	Bend	trans	-82.9	-0.5	179.3	-69.8	14.8	0	0	0	113.1	Y792	Y792-N794 WeakPolarHBondContact CD1-OD1 3.26Å; Y792-N794 WeakPolarHBondContact CE1-OD1 3.22Å
795	N	83.5	Confident	83.9	Confident	70 Å²	70	56.2 Å²	56.2	37%	0.374	28%	0.283	S	S	.	.			trans	-133.7	116.3	-179.5	-175	2.3	0	0	0	110.7	T793 E797 E798	T793-N795 VanDerWaalsContact C-N 3.26Å; T793-N795 PolarHBondContact O-N 2.76Å; N795-E797 PolarHBondContact O-N 2.91Å; N795-E797 WeakPolarHBondContact OD1-CB 3.31Å; N795-E797 WeakPolarHBondContact OD1-CG 3.32Å; N795-E797 PolarHBondContact OD1-N 3.44Å; N795-E798 PolarHBondContact O-N 3.34Å
796	Y	86	Confident	84.6	Confident	48 Å²	48	53.5 Å²	53.5	19%	0.188	27%	0.269	C	S	.	.	H	α-helix	trans	-66.9	-24.8	178.7	68.8	-88.8	0	0	0	112.6	F776 E798 I799 I800	F776-Y796 VanDerWaalsContact CD2-N 3.27Å; F776-Y796 HydrophobicContact CE2-CD1 4.27Å; F776-Y796 HydrophobicContact CZ-CD1 4.09Å; Y796-E798 PolarHBondContact O-N 3.1Å; Y796-I799 WeakPolarHBondContact O-CB 3.25Å; Y796-I799 PolarHBondContact O-N 3.42Å; Y796-I799 VanDerWaalsContact O-N 3.11Å; Y796-I800 HydrophobicContact CD2-CD1 3.82Å; Y796-I800 HydrophobicContact CE2-CD1 4.13Å; Y796-I800 PolarHBondContact O-N 3.28Å; Y796-I800 VanDerWaalsContact O-N 3.17Å
797	E	86.1	Confident	85.3	Confident	52 Å²	52	48.3 Å²	48.3	24%	0.243	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-35.2	174.8	-60.7	-172	-152.6	0	0	111.9	N795 I799 I800 H801 M840 K843	N795-E797 PolarHBondContact O-N 2.91Å; N795-E797 WeakPolarHBondContact OD1-CB 3.31Å; N795-E797 WeakPolarHBondContact OD1-CG 3.32Å; N795-E797 PolarHBondContact OD1-N 3.44Å; E797-I799 PolarHBondContact O-N 2.99Å; E797-I800 PolarHBondContact O-N 2.93Å; E797-H801 WeakPolarHBondContact O-CB 3.43Å; E797-H801 PolarHBondContact O-CD2 3.19Å; E797-H801 PolarHBondContact O-N 3.47Å; E797-M840 HydrophobicContact CG-CE 3.61Å; E797-M840 HydrophobicContact CG-SD 3.86Å; E797-M840 WeakPolarHBondContact OE1-CE 3.22Å; E797-K843 IonicContact OE2-NZ 2.78Å; E797-K843 PolarHBondContact OE2-NZ 2.84Å
798	E	85.1	Confident	85.9	Confident	62 Å²	62	45.1 Å²	45.1	29%	0.29	22%	0.217	S	C	.	.	H	α-helix	trans	-64	-33.3	178.2	-173.2	-179.2	164.7	0	0	111.4	R774 N795 Y796 R802	R774-E798 IonicContact CZ-OE1 2.74Å; R774-E798 IonicContact NH1-OE1 2.91Å; R774-E798 PolarHBondContact NH1-OE1 3.07Å; R774-E798 IonicContact NH2-OE1 3.33Å; N795-E798 PolarHBondContact O-N 3.34Å; Y796-E798 PolarHBondContact O-N 3.1Å; E798-R802 VanDerWaalsContact O-CB 3.32Å; E798-R802 WeakPolarHBondContact O-CB 3.29Å; E798-R802 WeakPolarHBondContact O-CG 3.39Å; E798-R802 PolarHBondContact O-N 3.4Å; E798-R802 IonicContact OE1-CZ 2.74Å; E798-R802 IonicContact OE1-NH1 3.57Å; E798-R802 PolarHBondContact OE1-NH1 2.89Å
799	I	88.7	Confident	86.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.7	-50.8	174.3	-67.9	-172.5	0	0	0	110.5	G751 R774 F776 Y796 E797 H801 R802 S803	G751-I799 VanDerWaalsContact CA-CG2 3.47Å; R774-I799 HydrophobicContact CB-CD1 4.32Å; R774-I799 HydrophobicContact CB-CG1 4.2Å; F776-I799 HydrophobicContact CB-CD1 3.55Å; Y796-I799 WeakPolarHBondContact O-CB 3.25Å; Y796-I799 PolarHBondContact O-N 3.42Å; Y796-I799 VanDerWaalsContact O-N 3.11Å; E797-I799 PolarHBondContact O-N 2.99Å; I799-H801 PolarHBondContact O-N 3.03Å; I799-R802 PolarHBondContact O-N 3.16Å; I799-R802 VanDerWaalsContact O-N 3.16Å; I799-S803 WeakPolarHBondContact O-CB 3.39Å; I799-S803 PolarHBondContact O-N 3.26Å; I799-S803 PolarHBondContact O-OG 2.82Å
800	I	88.2	Confident	86.2	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-56.5	-40.3	179.9	-61.3	175.1	0	0	0	111.4	Y796 E797 I806 I835 M840 M844	Y796-I800 HydrophobicContact CD2-CD1 3.82Å; Y796-I800 HydrophobicContact CE2-CD1 4.13Å; Y796-I800 PolarHBondContact O-N 3.28Å; Y796-I800 VanDerWaalsContact O-N 3.17Å; E797-I800 PolarHBondContact O-N 2.93Å; I800-I806 HydrophobicContact CG1-CD1 4.5Å; I800-I835 HydrophobicContact CD1-CG2 3.85Å; I800-M840 HydrophobicContact CD1-CB 4.13Å; I800-M840 HydrophobicContact CD1-CG 4.28Å; I800-M844 HydrophobicContact CG2-CG 3.71Å
801	H	86.5	Confident	85.5	Confident	87 Å²	87	37.9 Å²	37.9	40%	0.403	18%	0.179	S	C	.	.	H	α-helix	trans	-71.1	-28	-179.6	-87.9	-62.4	0	0	0	115.1	E797 I799 K843	E797-H801 WeakPolarHBondContact O-CB 3.43Å; E797-H801 PolarHBondContact O-CD2 3.19Å; E797-H801 PolarHBondContact O-N 3.47Å; I799-H801 PolarHBondContact O-N 3.03Å; H801-K843 VanDerWaalsContact CE1-CB 3.44Å; H801-K843 WeakPolarHBondContact CE1-CB 3.5Å; H801-K843 WeakPolarHBondContact CE1-CG 3.3Å; H801-K843 PolarHBondContact ND1-O 2.86Å; H801-K843 VanDerWaalsContact ND1-O 3.1Å; H801-K843 WeakPolarHBondContact NE2-CD 3.42Å; H801-K843 WeakPolarHBondContact NE2-CE 3.48Å
802	R	85.9	Confident	84.3	Confident	125 Å²	125	34.8 Å²	34.8	47%	0.472	17%	0.165	S	C	.	.	H	α-helix	trans	-116.7	-26.7	-164	-65.7	-176.6	169.6	-177.7	-11.8	114.8	E798 I799	E798-R802 VanDerWaalsContact O-CB 3.32Å; E798-R802 WeakPolarHBondContact O-CB 3.29Å; E798-R802 WeakPolarHBondContact O-CG 3.39Å; E798-R802 PolarHBondContact O-N 3.4Å; E798-R802 IonicContact OE1-CZ 2.74Å; E798-R802 IonicContact OE1-NH1 3.57Å; E798-R802 PolarHBondContact OE1-NH1 2.89Å; I799-R802 PolarHBondContact O-N 3.16Å; I799-R802 VanDerWaalsContact O-N 3.16Å
803	S	90.8	Very high	82.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.			trans	-81.8	142.8	-172.2	-66.8	0	0	0	0	114	Q749 G751 I799 W805	Q749-S803 CarbonylContact O-C 3.57Å; Q749-S803 WeakPolarHBondContact O-CA 3.32Å; Q749-S803 WeakPolarHBondContact O-CB 3.34Å; G751-S803 WeakPolarHBondContact CA-OG 3.39Å; G751-S803 PolarHBondContact N-OG 2.76Å; I799-S803 WeakPolarHBondContact O-CB 3.39Å; I799-S803 PolarHBondContact O-N 3.26Å; I799-S803 PolarHBondContact O-OG 2.82Å; S803-W805 WeakPolarHBondContact CB-O 3.31Å
804	D	89.5	Confident	81.5	Confident	36 Å²	36	34.3 Å²	34.3	19%	0.193	17%	0.166	C	C	.	.	S	Bend	trans	-78	-34.3	167.2	-61.7	-81.5	0	0	0	111.2	I748 Q749 K845 C848 H849	I748-D804 HydrophobicContact CG2-CB 3.83Å; Q749-D804 PolarHBondContact N-OD2 2.96Å; Q749-D804 PolarHBondContact O-N 3.04Å; D804-K845 VanDerWaalsContact OD1-CE 3.3Å; D804-K845 WeakPolarHBondContact OD1-CE 3.44Å; D804-K845 IonicContact OD1-NZ 2.7Å; D804-K845 PolarHBondContact OD1-NZ 3.22Å; D804-K845 IonicContact OD2-NZ 3.57Å; D804-K845 PolarHBondContact OD2-NZ 3.23Å; D804-C848 CarbonylContact O-C 3.57Å; D804-C848 VanDerWaalsContact O-CA 3.28Å; D804-C848 WeakPolarHBondContact O-CA 3.27Å; D804-C848 PolarHBondContact O-SG 3.18Å; D804-C848 VanDerWaalsContact O-SG 3.33Å; D804-H849 PolarHBondContact O-N 3.07Å
805	W	91.8	Very high	80	Confident	9 Å²	9	30 Å²	30	3%	0.034	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.2	175.1	-79.3	76.7	0	0	0	110.8	I668 T671 Q749 I750 G751 S803 H849 Y879	I668-W805 HydrophobicContact CG1-CD2 4.38Å; I668-W805 HydrophobicContact CG1-CE3 3.98Å; I668-W805 HydrophobicContact CG1-CH2 4.31Å; I668-W805 HydrophobicContact CG1-CZ3 3.94Å; I668-W805 HydrophobicContact CG2-CD2 4.39Å; I668-W805 HydrophobicContact CG2-CZ2 4.38Å; T671-W805 HydrophobicContact CG2-CH2 4.07Å; T671-W805 HydrophobicContact CG2-CZ2 3.8Å; Q749-W805 PolarHBondContact O-N 3.29Å; I750-W805 HydrophobicContact CG1-CB 4.31Å; I750-W805 HydrophobicContact CG2-CB 4.28Å; G751-W805 PolarHBondContact N-O 3.17Å; S803-W805 WeakPolarHBondContact CB-O 3.31Å; W805-H849 CarbonylContact C-O 3.5Å; W805-H849 VanDerWaalsContact CA-O 3.32Å; W805-H849 WeakPolarHBondContact CA-O 3.18Å; W805-H849 HydrophobicContact CD2-CB 3.81Å; W805-H849 AromaticContact CE2-CD2 3.97Å; W805-H849 HydrophobicContact CE3-CB 3.86Å; W805-H849 HydrophobicContact CG-CB 4.49Å; W805-H849 HydrophobicContact CH2-CB 3.88Å; W805-H849 HydrophobicContact CZ2-CB 3.81Å; W805-H849 AromaticContact CZ2-CG 3.86Å; W805-H849 HydrophobicContact CZ3-CB 3.9Å; W805-H849 AromaticContact NE1-CD2 3.92Å; W805-Y879 HydrophobicContact CH2-CD2 4.16Å; W805-Y879 AromaticContact CH2-CE2 3.66Å; W805-Y879 HydrophobicContact CH2-CE2 3.66Å; W805-Y879 AromaticContact CZ3-CD2 3.98Å; W805-Y879 HydrophobicContact CZ3-CD2 3.98Å; W805-Y879 AromaticContact CZ3-CE2 3.97Å; W805-Y879 HydrophobicContact CZ3-CE2 3.97Å
806	I	92.5	Very high	78.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	106.2	170.5	-60.8	168.7	0	0	0	108.5	I753 I800 F836 M844 H849 I850 L851	I753-I806 HydrophobicContact CD1-CG2 4.01Å; I800-I806 HydrophobicContact CG1-CD1 4.5Å; I806-F836 HydrophobicContact CD1-CE1 4.36Å; I806-F836 HydrophobicContact CG2-CZ 4.23Å; I806-M844 HydrophobicContact CD1-CE 3.71Å; I806-H849 PolarHBondContact N-O 2.88Å; I806-I850 CarbonylContact O-C 3.59Å; I806-I850 WeakPolarHBondContact O-CA 3.21Å; I806-L851 PolarHBondContact O-N 3.34Å
807	I	92	Very high	76.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.5	175.6	-54.2	170.6	0	0	0	107.8	I668 I750 G751 I752 I753 I762 I809 L851	I668-I807 HydrophobicContact CD1-CD1 3.75Å; I750-I807 HydrophobicContact CG2-CD1 3.67Å; I750-I807 HydrophobicContact CG2-CG1 4.34Å; G751-I807 PolarHBondContact O-N 3.25Å; I752-I807 CarbonylContact C-O 3.57Å; I752-I807 WeakPolarHBondContact CA-O 3.37Å; I752-I807 HydrophobicContact CG1-CB 4.36Å; I752-I807 HydrophobicContact CG1-CD1 4.38Å; I753-I807 PolarHBondContact N-O 3.2Å; I762-I807 HydrophobicContact CG2-CD1 4.45Å; I807-I809 HydrophobicContact CG2-CD1 3.99Å; I807-I809 HydrophobicContact CG2-CG1 3.86Å; I807-L851 CarbonylContact C-O 3.58Å; I807-L851 WeakPolarHBondContact CA-O 3.24Å; I807-L851 HydrophobicContact CG1-CB 4.38Å; I807-L851 HydrophobicContact CG2-CD2 4.27Å; I807-L851 HydrophobicContact CG2-CG 4.47Å
808	F	89.4	Confident	74.2	Confident	8 Å²	8	31 Å²	31	4%	0.035	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.5	178.7	179.7	-155.1	0	0	0	109.8	I753 Q810 L830 V832 I835 L851 Y852 I853	I753-F808 HydrophobicContact CB-CB 4.27Å; I753-F808 HydrophobicContact CB-CD2 3.71Å; I753-F808 HydrophobicContact CB-CE2 4.4Å; I753-F808 HydrophobicContact CB-CG 4.23Å; I753-F808 HydrophobicContact CG2-CD2 3.5Å; I753-F808 HydrophobicContact CG2-CE2 3.69Å; I753-F808 HydrophobicContact CG2-CG 4.29Å; I753-F808 WeakPolarHBondContact O-CD2 3.44Å; F808-Q810 HydrophobicContact CE1-CG 4.5Å; F808-Q810 HydrophobicContact CE2-CG 3.8Å; F808-Q810 HydrophobicContact CZ-CG 3.79Å; F808-L830 WeakPolarHBondContact CZ-O 3.44Å; F808-V832 HydrophobicContact CD1-CG2 4.02Å; F808-V832 HydrophobicContact CE1-CG2 3.7Å; F808-I835 HydrophobicContact CD1-CD1 4.08Å; F808-I835 HydrophobicContact CE1-CD1 3.54Å; F808-I835 HydrophobicContact CE2-CD1 4.13Å; F808-I835 HydrophobicContact CZ-CD1 3.56Å; F808-L851 PolarHBondContact N-O 2.86Å; F808-Y852 HydrophobicContact CB-CD2 4.18Å; F808-Y852 AromaticContact CD1-CD2 3.5Å; F808-Y852 HydrophobicContact CD1-CD2 3.5Å; F808-Y852 VanDerWaalsContact CD1-CD2 3.5Å; F808-Y852 AromaticContact CD1-CE2 3.67Å; F808-Y852 HydrophobicContact CD1-CE2 3.67Å; F808-Y852 HydrophobicContact CE1-CD2 4.15Å; F808-Y852 AromaticContact CE1-CE2 3.83Å; F808-Y852 HydrophobicContact CE1-CE2 3.83Å; F808-Y852 HydrophobicContact CG-CD2 4.02Å; F808-Y852 HydrophobicContact CG-CE2 4.37Å; F808-I853 PolarHBondContact O-N 3.03Å
809	I	83.8	Confident	72	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.6	-175.6	-47.2	-173.9	0	0	0	110.5	I753 I758 I762 I807 E811 I853	I753-I809 PolarHBondContact O-N 3.32Å; I753-I809 VanDerWaalsContact O-N 3.08Å; I758-I809 HydrophobicContact CG2-CD1 4.32Å; I762-I809 HydrophobicContact CD1-CD1 3.73Å; I807-I809 HydrophobicContact CG2-CD1 3.99Å; I807-I809 HydrophobicContact CG2-CG1 3.86Å; I809-E811 HydrophobicContact CG2-CG 3.8Å; I809-I853 WeakPolarHBondContact CA-O 3.49Å; I809-I853 HydrophobicContact CD1-CD1 4.43Å; I809-I853 HydrophobicContact CG1-CB 4.38Å; I809-I853 HydrophobicContact CG1-CD1 4.44Å; I809-I853 HydrophobicContact CG2-CB 4.25Å; I809-I853 HydrophobicContact CG2-CG2 4.24Å
810	Q	77	Confident	69.6	Low	13 Å²	13	39.2 Å²	39.2	6%	0.061	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	100.2	172.1	-70.8	168.5	-29.7	0	0	109.2	F808 L830 Y852 I853 N854 L855	F808-Q810 HydrophobicContact CE1-CG 4.5Å; F808-Q810 HydrophobicContact CE2-CG 3.8Å; F808-Q810 HydrophobicContact CZ-CG 3.79Å; Q810-L830 PolarHBondContact NE2-O 3.32Å; Q810-Y852 PolarHBondContact OE1-OH 3.3Å; Q810-I853 PolarHBondContact N-O 2.89Å; Q810-N854 HydrophobicContact CB-CB 4.42Å; Q810-N854 PolarHBondContact OE1-ND2 3.33Å; Q810-L855 PolarHBondContact O-N 2.75Å
811	E	67.8	Low	67	Low	12 Å²	12	46.4 Å²	46.4	6%	0.056	22%	0.221	C	C	.	.			trans	-99.1	149.9	176.5	-63.8	-171.1	-153	0	0	113	G756 P757 I758 I809 S813 I814	G756-E811 VanDerWaalsContact CA-OE1 3.28Å; G756-E811 WeakPolarHBondContact CA-OE1 3.37Å; P757-E811 VanDerWaalsContact CD-OE2 3.25Å; P757-E811 WeakPolarHBondContact CD-OE2 3.44Å; I758-E811 VanDerWaalsContact CB-OE1 3.31Å; I758-E811 WeakPolarHBondContact CB-OE1 3.4Å; I758-E811 HydrophobicContact CD1-CG 4.27Å; I758-E811 WeakPolarHBondContact CG1-OE1 3.46Å; I758-E811 PolarHBondContact N-OE1 3.35Å; I809-E811 HydrophobicContact CG2-CG 3.8Å; E811-S813 WeakPolarHBondContact CB-OG 3.47Å; E811-S813 PolarHBondContact O-N 2.99Å; E811-S813 PolarHBondContact OE2-OG 2.86Å; E811-I814 HydrophobicContact CB-CD1 4.33Å; E811-I814 HydrophobicContact CB-CG1 4.38Å; E811-I814 PolarHBondContact O-N 3.32Å
812	S	58.7	Low	64.2	Low	31 Å²	31	45 Å²	45	22%	0.217	23%	0.231	C	C	.	.	H	α-helix	trans	-70.9	-19.2	176.6	80.1	0	0	0	0	113.6	E630 M815 K816	E630-S812 VanDerWaalsContact OE1-CB 3.28Å; E630-S812 WeakPolarHBondContact OE1-CB 3.43Å; E630-S812 PolarHBondContact OE1-OG 2.9Å; S812-M815 PolarHBondContact O-N 3.11Å; S812-K816 WeakPolarHBondContact O-CD 3.33Å; S812-K816 VanDerWaalsContact O-CG 3.3Å; S812-K816 WeakPolarHBondContact O-CG 3.35Å; S812-K816 PolarHBondContact O-N 2.88Å; S812-K816 PolarHBondContact OG-NZ 3.19Å
813	S	54.6	Low	61.5	Low	26 Å²	26	51.3 Å²	51.3	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-55	-52.5	170.9	50.4	0	0	0	0	110.8	E811 M815 K816	E811-S813 WeakPolarHBondContact CB-OG 3.47Å; E811-S813 PolarHBondContact O-N 2.99Å; E811-S813 PolarHBondContact OE2-OG 2.86Å; S813-M815 VanDerWaalsContact C-N 3.33Å; S813-M815 PolarHBondContact O-N 2.74Å; S813-K816 PolarHBondContact O-N 3.34Å
814	I	53.5	Low	58.7	Low	21 Å²	21	55.2 Å²	55.2	11%	0.108	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-38.2	178	-51.6	170.8	0	0	0	111	F779 E811	F779-I814 HydrophobicContact CD2-CG2 4.03Å; E811-I814 HydrophobicContact CB-CD1 4.33Å; E811-I814 HydrophobicContact CB-CG1 4.38Å; E811-I814 PolarHBondContact O-N 3.32Å
815	M	49.3	Very low	56	Low	28 Å²	28	62.1 Å²	62.1	14%	0.138	32%	0.319	C	S	.	.	H	α-helix	trans	-83	-13.1	-176	-68	-162.3	74.1	0	0	115.8	S812 S813 R819 L829 V856	S812-M815 PolarHBondContact O-N 3.11Å; S813-M815 VanDerWaalsContact C-N 3.33Å; S813-M815 PolarHBondContact O-N 2.74Å; M815-R819 WeakPolarHBondContact O-CG 3.47Å; M815-R819 PolarHBondContact O-N 3.08Å; M815-L829 HydrophobicContact CE-CD1 4.22Å; M815-L829 HydrophobicContact CE-CD2 4.02Å; M815-L829 HydrophobicContact CG-CD1 4.01Å; M815-L829 HydrophobicContact SD-CD1 4.22Å; M815-L829 HydrophobicContact SD-CD2 3.81Å; M815-V856 HydrophobicContact CG-CG2 4.49Å; M815-V856 HydrophobicContact SD-CB 4.14Å; M815-V856 HydrophobicContact SD-CG1 3.75Å; M815-V856 HydrophobicContact SD-CG2 3.97Å
816	K	48.3	Very low	53.2	Low	95 Å²	95	64.8 Å²	64.8	41%	0.413	35%	0.349	S	S	.	.	H	α-helix	trans	-68.3	-46.1	179.9	-86.8	159.7	-179.2	158.1	0	112.4	E630 S812 S813 M818 R819 S820	E630-K816 WeakPolarHBondContact OE1-CE 3.24Å; E630-K816 IonicContact OE1-NZ 2.68Å; E630-K816 PolarHBondContact OE1-NZ 2.78Å; E630-K816 WeakPolarHBondContact OE2-CE 3.49Å; E630-K816 IonicContact OE2-NZ 3.33Å; E630-K816 PolarHBondContact OE2-NZ 2.92Å; S812-K816 WeakPolarHBondContact O-CD 3.33Å; S812-K816 VanDerWaalsContact O-CG 3.3Å; S812-K816 WeakPolarHBondContact O-CG 3.35Å; S812-K816 PolarHBondContact O-N 2.88Å; S812-K816 PolarHBondContact OG-NZ 3.19Å; S813-K816 PolarHBondContact O-N 3.34Å; K816-M818 VanDerWaalsContact C-N 3.34Å; K816-M818 PolarHBondContact O-N 2.81Å; K816-R819 PolarHBondContact O-N 3.26Å; K816-S820 PolarHBondContact O-N 3.34Å
817	D	42.5	Very low	50.3	Low	57 Å²	57	68.9 Å²	68.9	31%	0.305	38%	0.377	S	S	.	.	H	α-helix	trans	-64.9	-41.8	177.9	-75.9	1.5	0	0	0	110.5	R819 S820 F821	D817-R819 VanDerWaalsContact C-N 3.27Å; D817-R819 PolarHBondContact O-N 2.94Å; D817-S820 WeakPolarHBondContact O-CA 3.43Å; D817-S820 WeakPolarHBondContact O-CB 3.35Å; D817-S820 PolarHBondContact O-N 3.18Å; D817-S820 PolarHBondContact O-OG 3.31Å; D817-F821 VanDerWaalsContact O-CD2 3.24Å; D817-F821 WeakPolarHBondContact O-CD2 3.35Å; D817-F821 PolarHBondContact O-N 3.46Å; D817-F821 VanDerWaalsContact O-N 3.14Å
818	M	42	Very low	48.1	Very low	40 Å²	40	71.2 Å²	71.2	20%	0.197	39%	0.393	C	S	.	.	H	α-helix	trans	-55	-35.4	173.4	-70.6	-79.6	-83	0	0	113.9	F779 K816 S820 C827	F779-M818 HydrophobicContact CD1-CE 4.19Å; F779-M818 HydrophobicContact CD1-SD 3.79Å; F779-M818 HydrophobicContact CE1-CE 3.36Å; F779-M818 HydrophobicContact CE1-SD 3.56Å; F779-M818 VanDerWaalsContact CE1-SD 3.56Å; F779-M818 HydrophobicContact CE2-CE 4.28Å; F779-M818 HydrophobicContact CZ-CE 3.41Å; F779-M818 VanDerWaalsContact CZ-CE 3.41Å; F779-M818 HydrophobicContact CZ-SD 4.11Å; K816-M818 VanDerWaalsContact C-N 3.34Å; K816-M818 PolarHBondContact O-N 2.81Å; M818-S820 VanDerWaalsContact C-N 3.31Å; M818-C827 HydrophobicContact CE-CB 3.82Å; M818-C827 HydrophobicContact SD-CB 4.49Å
819	R	39.5	Very low	46.6	Very low	148 Å²	148	72.6 Å²	72.6	56%	0.558	40%	0.4	S	S	*	.	H	α-helix	trans	-79.5	-12.7	176.3	-67.8	-179.2	-169.7	-170.9	4.5	113.2	M815 K816 D817 D857	M815-R819 WeakPolarHBondContact O-CG 3.47Å; M815-R819 PolarHBondContact O-N 3.08Å; K816-R819 PolarHBondContact O-N 3.26Å; D817-R819 VanDerWaalsContact C-N 3.27Å; D817-R819 PolarHBondContact O-N 2.94Å; R819-D857 IonicContact NH2-OD2 2.64Å; R819-D857 PolarHBondContact NH2-OD2 2.77Å
820	S	37.9	Very low	45.7	Very low	85 Å²	85	73.6 Å²	73.6	59%	0.594	41%	0.405	S	S	*	.	H	α-helix	trans	-89.3	-25.8	174.4	78.7	0	0	0	0	113.2	K816 D817 M818 G822	K816-S820 PolarHBondContact O-N 3.34Å; D817-S820 WeakPolarHBondContact O-CA 3.43Å; D817-S820 WeakPolarHBondContact O-CB 3.35Å; D817-S820 PolarHBondContact O-N 3.18Å; D817-S820 PolarHBondContact O-OG 3.31Å; M818-S820 VanDerWaalsContact C-N 3.31Å; S820-G822 VanDerWaalsContact C-N 3.26Å; S820-G822 PolarHBondContact O-N 2.74Å
821	F	33.3	Very low	45.6	Very low	152 Å²	152	75 Å²	75	67%	0.667	42%	0.415	S	S	*	.	S	Bend	trans	-69.7	83.6	163.2	-69.5	-71.2	0	0	0	109.6	D817 R823	D817-F821 VanDerWaalsContact O-CD2 3.24Å; D817-F821 WeakPolarHBondContact O-CD2 3.35Å; D817-F821 PolarHBondContact O-N 3.46Å; D817-F821 VanDerWaalsContact O-N 3.14Å; F821-R823 PolarHBondContact O-N 2.98Å
822	G	28.6	Very low	46.2	Very low	59 Å²	59	74.5 Å²	74.5	61%	0.608	41%	0.413	S	S	*	.			trans	-66.3	127	-164.6	0	0	0	0	0	115.3	S820 S824	S820-G822 VanDerWaalsContact C-N 3.26Å; S820-G822 PolarHBondContact O-N 2.74Å; G822-S824 PolarHBondContact O-N 3.16Å
823	R	29.6	Very low	47.1	Very low	256 Å²	256	76.2 Å²	76.2	97%	0.966	42%	0.419	S	S	*	.	S	Bend	trans	50.1	61.1	156.2	-66.4	-177.4	167.4	-164.1	-7.4	115.7	F821	F821-R823 PolarHBondContact O-N 2.98Å
824	S	31.6	Very low	48.2	Very low	82 Å²	82	78.5 Å²	78.5	57%	0.573	43%	0.427	S	S	*	.			trans	-128.4	133.5	161	60.2	0	0	0	0	110.9	G822 G826	G822-S824 PolarHBondContact O-N 3.16Å; S824-G826 PolarHBondContact O-N 3.32Å
825	N	31.5	Very low	49.6	Very low	182 Å²	182	77.5 Å²	77.5	97%	0.973	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	36.9	-171.9	-63.7	-4.5	0	0	0	113
826	G	34	Very low	51.2	Low	65 Å²	65	76.3 Å²	76.3	67%	0.67	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	-16.7	-171.7	0	0	0	0	0	116	S824 S828	S824-G826 PolarHBondContact O-N 3.32Å; G826-S828 PolarHBondContact O-N 2.9Å
827	C	31.6	Very low	52.8	Low	86 Å²	86	74 Å²	74	58%	0.581	41%	0.409	S	S	*	.			trans	-96.9	82.7	-178.8	-84.9	0	0	0	0	111.9	M818 L829	M818-C827 HydrophobicContact CE-CB 3.82Å; M818-C827 HydrophobicContact SD-CB 4.49Å; C827-L829 PolarHBondContact O-N 2.98Å
828	S	45.2	Very low	54.5	Low	49 Å²	49	77.5 Å²	77.5	34%	0.343	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-64.7	126.8	161.3	73.4	0	0	0	0	109.5	K778 G826 E834	K778-S828 PolarHBondContact NZ-O 3.24Å; K778-S828 PolarHBondContact NZ-OG 3.15Å; G826-S828 PolarHBondContact O-N 2.9Å; S828-E834 WeakPolarHBondContact CB-OE1 3.34Å; S828-E834 PolarHBondContact OG-OE1 3.44Å
829	L	58.5	Low	56.3	Low	37 Å²	37	81.4 Å²	81.4	19%	0.194	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-67.2	134.6	156.4	-165.4	85.5	0	0	0	106.4	F779 M815 C827 T831	F779-L829 HydrophobicContact CE2-CD1 4.04Å; F779-L829 HydrophobicContact CZ-CD1 4.39Å; M815-L829 HydrophobicContact CE-CD1 4.22Å; M815-L829 HydrophobicContact CE-CD2 4.02Å; M815-L829 HydrophobicContact CG-CD1 4.01Å; M815-L829 HydrophobicContact SD-CD1 4.22Å; M815-L829 HydrophobicContact SD-CD2 3.81Å; C827-L829 PolarHBondContact O-N 2.98Å; L829-T831 PolarHBondContact O-N 2.75Å; L829-T831 VanDerWaalsContact O-N 3.07Å
830	L	65.5	Low	58.3	Low	21 Å²	21	75 Å²	75	11%	0.11	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-61.6	117	172	-77.8	157.4	0	0	0	108.4	F776 K778 F808 Q810 E834 I835	F776-L830 HydrophobicContact CE1-CD1 3.42Å; F776-L830 VanDerWaalsContact CE1-CD1 3.42Å; F776-L830 HydrophobicContact CZ-CD1 3.94Å; K778-L830 HydrophobicContact CB-CD1 4.07Å; K778-L830 HydrophobicContact CD-CD1 4.01Å; K778-L830 HydrophobicContact CD-CG 4.21Å; F808-L830 WeakPolarHBondContact CZ-O 3.44Å; Q810-L830 PolarHBondContact NE2-O 3.32Å; L830-E834 HydrophobicContact CD2-CB 4.39Å; L830-I835 HydrophobicContact CB-CD1 4.19Å; L830-I835 HydrophobicContact CB-CG1 4.36Å; L830-I835 HydrophobicContact CD2-CG1 4.42Å
831	T	74.7	Confident	60.5	Low	44 Å²	44	71.5 Å²	71.5	27%	0.27	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-92.7	159	175.1	61.3	0	0	0	0	109.9	L829 N833 E834 I835 E862	L829-T831 PolarHBondContact O-N 2.75Å; L829-T831 VanDerWaalsContact O-N 3.07Å; T831-N833 PolarHBondContact O-N 3.02Å; T831-N833 VanDerWaalsContact O-N 3.16Å; T831-E834 PolarHBondContact O-N 3.48Å; T831-E834 VanDerWaalsContact O-N 3.1Å; T831-E834 PolarHBondContact OG1-N 2.69Å; T831-E834 VanDerWaalsContact OG1-N 3.15Å; T831-I835 WeakPolarHBondContact O-CG1 3.46Å; T831-I835 PolarHBondContact O-N 2.96Å; T831-E862 VanDerWaalsContact CA-OE1 3.32Å; T831-E862 WeakPolarHBondContact CA-OE1 3.33Å; T831-E862 WeakPolarHBondContact CB-OE1 3.14Å
832	V	80.3	Confident	62.6	Low	0 Å²	0	67.8 Å²	67.8	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-50.9	-35.9	168.7	171.2	0	0	0	0	111.1	F808 I835 F836 Y852 E862 T865 L866	F808-V832 HydrophobicContact CD1-CG2 4.02Å; F808-V832 HydrophobicContact CE1-CG2 3.7Å; V832-I835 PolarHBondContact O-N 2.74Å; V832-F836 HydrophobicContact CG1-CD2 3.96Å; V832-F836 WeakPolarHBondContact O-CB 3.42Å; V832-F836 PolarHBondContact O-N 3.25Å; V832-Y852 HydrophobicContact CG2-CD1 4.44Å; V832-Y852 HydrophobicContact CG2-CD2 3.99Å; V832-Y852 HydrophobicContact CG2-CE1 4.04Å; V832-Y852 HydrophobicContact CG2-CE2 3.55Å; V832-Y852 HydrophobicContact CG2-CG 4.41Å; V832-E862 HydrophobicContact CB-CB 3.78Å; V832-E862 HydrophobicContact CB-CG 3.84Å; V832-E862 HydrophobicContact CG1-CB 4.31Å; V832-E862 HydrophobicContact CG2-CB 3.87Å; V832-E862 HydrophobicContact CG2-CG 4.11Å; V832-E862 WeakPolarHBondContact CG2-OE1 3.28Å; V832-E862 PolarHBondContact N-OE1 2.85Å; V832-T865 HydrophobicContact CG1-CG2 4.01Å; V832-L866 HydrophobicContact CG1-CD1 4.22Å; V832-L866 HydrophobicContact CG1-CD2 3.97Å; V832-L866 HydrophobicContact CG1-CG 3.74Å; V832-L866 HydrophobicContact CG2-CD1 4.48Å
833	N	78	Confident	65.3	Low	67 Å²	67	68.3 Å²	68.3	36%	0.358	38%	0.379	S	S	.	.	H	α-helix	trans	-71.6	-36	-179.7	-63.2	8.3	0	0	0	113	T831 H861 T865	T831-N833 PolarHBondContact O-N 3.02Å; T831-N833 VanDerWaalsContact O-N 3.16Å; N833-H861 PolarHBondContact OD1-O 3.09Å; N833-T865 WeakPolarHBondContact OD1-CB 3.49Å; N833-T865 PolarHBondContact OD1-OG1 3.33Å
834	E	77.7	Confident	68	Low	74 Å²	74	57.1 Å²	57.1	35%	0.346	34%	0.337	S	S	.	.	H	α-helix	trans	-67.7	-43.6	172.5	-73.6	179.1	-175.4	0	0	110.7	S828 L830 T831 N837	S828-E834 WeakPolarHBondContact CB-OE1 3.34Å; S828-E834 PolarHBondContact OG-OE1 3.44Å; L830-E834 HydrophobicContact CD2-CB 4.39Å; T831-E834 PolarHBondContact O-N 3.48Å; T831-E834 VanDerWaalsContact O-N 3.1Å; T831-E834 PolarHBondContact OG1-N 2.69Å; T831-E834 VanDerWaalsContact OG1-N 3.15Å; E834-N837 PolarHBondContact O-ND2 2.91Å
835	I	81.7	Confident	70.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-70.3	-48.1	-176.5	-64.8	168	0	0	0	112	I753 I800 F808 L830 T831 V832 M840	I753-I835 HydrophobicContact CD1-CD1 4.44Å; I753-I835 HydrophobicContact CD1-CG2 4.31Å; I753-I835 HydrophobicContact CG2-CD1 4.21Å; I800-I835 HydrophobicContact CD1-CG2 3.85Å; F808-I835 HydrophobicContact CD1-CD1 4.08Å; F808-I835 HydrophobicContact CE1-CD1 3.54Å; F808-I835 HydrophobicContact CE2-CD1 4.13Å; F808-I835 HydrophobicContact CZ-CD1 3.56Å; L830-I835 HydrophobicContact CB-CD1 4.19Å; L830-I835 HydrophobicContact CB-CG1 4.36Å; L830-I835 HydrophobicContact CD2-CG1 4.42Å; T831-I835 WeakPolarHBondContact O-CG1 3.46Å; T831-I835 PolarHBondContact O-N 2.96Å; V832-I835 PolarHBondContact O-N 2.74Å; I835-M840 VanDerWaalsContact O-CB 3.32Å; I835-M840 WeakPolarHBondContact O-CB 3.29Å; I835-M840 WeakPolarHBondContact O-CG 3.49Å
836	F	82.9	Confident	72.8	Confident	3 Å²	3	53.5 Å²	53.5	1%	0.013	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	40.5	-173.7	-61	-74.9	0	0	0	113.1	I806 V832 K841 M844 I850 T865 L869	I806-F836 HydrophobicContact CD1-CE1 4.36Å; I806-F836 HydrophobicContact CG2-CZ 4.23Å; V832-F836 HydrophobicContact CG1-CD2 3.96Å; V832-F836 WeakPolarHBondContact O-CB 3.42Å; V832-F836 PolarHBondContact O-N 3.25Å; F836-K841 WeakPolarHBondContact O-CE 3.32Å; F836-M844 HydrophobicContact CD1-CE 4.49Å; F836-M844 HydrophobicContact CD1-SD 4.03Å; F836-M844 HydrophobicContact CE1-CE 3.92Å; F836-M844 HydrophobicContact CE1-SD 4.07Å; F836-I850 HydrophobicContact CE1-CD1 4Å; F836-I850 HydrophobicContact CZ-CD1 4.06Å; F836-I850 HydrophobicContact CZ-CG2 4.43Å; F836-T865 HydrophobicContact CB-CG2 4.32Å; F836-L869 HydrophobicContact CB-CD2 4.31Å; F836-L869 HydrophobicContact CD1-CD2 3.73Å; F836-L869 HydrophobicContact CE1-CD2 4.18Å; F836-L869 HydrophobicContact CG-CD2 4Å
837	N	81.6	Confident	75	Confident	48 Å²	48	52.1 Å²	52.1	26%	0.257	30%	0.303	S	S	.	.			trans	-62.9	158.9	167.8	68.4	75.3	0	0	0	111.4	E834 N839 M840 K841	E834-N837 PolarHBondContact O-ND2 2.91Å; N837-N839 PolarHBondContact O-N 2.79Å; N837-N839 VanDerWaalsContact O-N 3.11Å; N837-N839 WeakPolarHBondContact OD1-CB 3.37Å; N837-N839 PolarHBondContact OD1-N 3.48Å; N837-M840 WeakPolarHBondContact ND2-CG 3.49Å; N837-M840 WeakPolarHBondContact O-CA 3.39Å; N837-M840 PolarHBondContact O-N 3.22Å; N837-M840 PolarHBondContact OD1-N 2.98Å; N837-K841 PolarHBondContact O-N 2.88Å; N837-K841 VanDerWaalsContact O-N 3.07Å
838	E	77.9	Confident	77.7	Confident	129 Å²	129	48 Å²	48	60%	0.603	28%	0.275	S	S	*	.	H	α-helix	trans	-53.4	-38.2	-172.1	-53.8	-49.5	137.9	0	0	113.9	M840 K841 A842	E838-M840 PolarHBondContact O-N 3.43Å; E838-K841 PolarHBondContact O-N 3.38Å; E838-K841 WeakPolarHBondContact OE1-CE 3.12Å; E838-K841 IonicContact OE1-NZ 3.54Å; E838-K841 PolarHBondContact OE1-NZ 3.05Å; E838-K841 WeakPolarHBondContact OE2-CD 3.18Å; E838-K841 WeakPolarHBondContact OE2-CE 3.22Å; E838-K841 IonicContact OE2-NZ 2.68Å; E838-K841 PolarHBondContact OE2-NZ 2.78Å; E838-A842 PolarHBondContact O-N 3.16Å
839	N	80.5	Confident	79.8	Confident	122 Å²	122	47.5 Å²	47.5	65%	0.652	27%	0.268	S	S	*	.	H	α-helix	trans	-64.6	-30.2	177.8	-63.8	-23.6	0	0	0	112.1	N837 K843	N837-N839 PolarHBondContact O-N 2.79Å; N837-N839 VanDerWaalsContact O-N 3.11Å; N837-N839 WeakPolarHBondContact OD1-CB 3.37Å; N837-N839 PolarHBondContact OD1-N 3.48Å; N839-K843 WeakPolarHBondContact O-CD 3.33Å; N839-K843 VanDerWaalsContact O-CG 3.24Å; N839-K843 WeakPolarHBondContact O-CG 3.08Å
840	M	82.2	Confident	81.4	Confident	13 Å²	13	45.8 Å²	45.8	6%	0.064	26%	0.259	C	S	.	.	H	α-helix	trans	-83.6	-30.3	176	-58.8	-53.4	167.3	0	0	112.7	E797 I800 I835 N837 E838 A842 K843 M844	E797-M840 HydrophobicContact CG-CE 3.61Å; E797-M840 HydrophobicContact CG-SD 3.86Å; E797-M840 WeakPolarHBondContact OE1-CE 3.22Å; I800-M840 HydrophobicContact CD1-CB 4.13Å; I800-M840 HydrophobicContact CD1-CG 4.28Å; I835-M840 VanDerWaalsContact O-CB 3.32Å; I835-M840 WeakPolarHBondContact O-CB 3.29Å; I835-M840 WeakPolarHBondContact O-CG 3.49Å; N837-M840 WeakPolarHBondContact ND2-CG 3.49Å; N837-M840 WeakPolarHBondContact O-CA 3.39Å; N837-M840 PolarHBondContact O-N 3.22Å; N837-M840 PolarHBondContact OD1-N 2.98Å; E838-M840 PolarHBondContact O-N 3.43Å; M840-A842 PolarHBondContact O-N 2.77Å; M840-K843 WeakPolarHBondContact O-CB 3.35Å; M840-K843 PolarHBondContact O-N 3.15Å; M840-K843 HydrophobicContact SD-CD 3.63Å; M840-M844 VanDerWaalsContact O-CG 3.29Å; M840-M844 WeakPolarHBondContact O-CG 3.34Å; M840-M844 PolarHBondContact O-N 3.31Å
841	K	82.7	Confident	82.6	Confident	12 Å²	12	44.8 Å²	44.8	5%	0.052	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-47.1	175.3	-58.5	-171.3	-165.1	161.5	0	111.5	F836 N837 E838 K843 M844 L869 Y874	F836-K841 WeakPolarHBondContact O-CE 3.32Å; N837-K841 PolarHBondContact O-N 2.88Å; N837-K841 VanDerWaalsContact O-N 3.07Å; E838-K841 PolarHBondContact O-N 3.38Å; E838-K841 WeakPolarHBondContact OE1-CE 3.12Å; E838-K841 IonicContact OE1-NZ 3.54Å; E838-K841 PolarHBondContact OE1-NZ 3.05Å; E838-K841 WeakPolarHBondContact OE2-CD 3.18Å; E838-K841 WeakPolarHBondContact OE2-CE 3.22Å; E838-K841 IonicContact OE2-NZ 2.68Å; E838-K841 PolarHBondContact OE2-NZ 2.78Å; K841-K843 PolarHBondContact O-N 3.04Å; K841-M844 WeakPolarHBondContact O-CG 3.37Å; K841-M844 PolarHBondContact O-N 3.16Å; K841-L869 HydrophobicContact CB-CD1 4.27Å; K841-L869 HydrophobicContact CD-CD1 3.94Å; K841-L869 HydrophobicContact CG-CD1 3.87Å; K841-Y874 HydrophobicContact CB-CD2 3.79Å; K841-Y874 HydrophobicContact CB-CE2 3.85Å
842	A	78.7	Confident	83.3	Confident	75 Å²	75	42.8 Å²	42.8	62%	0.62	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-14	176.5	0	0	0	0	0	114.2	E838 M840	E838-A842 PolarHBondContact O-N 3.16Å; M840-A842 PolarHBondContact O-N 2.77Å
843	K	84	Confident	83.4	Confident	70 Å²	70	42.9 Å²	42.9	30%	0.304	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-10.1	178.9	-77.8	176.5	156.5	-177.1	0	114.1	E797 H801 N839 M840 K841	E797-K843 IonicContact OE2-NZ 2.78Å; E797-K843 PolarHBondContact OE2-NZ 2.84Å; H801-K843 VanDerWaalsContact CE1-CB 3.44Å; H801-K843 WeakPolarHBondContact CE1-CB 3.5Å; H801-K843 WeakPolarHBondContact CE1-CG 3.3Å; H801-K843 PolarHBondContact ND1-O 2.86Å; H801-K843 VanDerWaalsContact ND1-O 3.1Å; H801-K843 WeakPolarHBondContact NE2-CD 3.42Å; H801-K843 WeakPolarHBondContact NE2-CE 3.48Å; N839-K843 WeakPolarHBondContact O-CD 3.33Å; N839-K843 VanDerWaalsContact O-CG 3.24Å; N839-K843 WeakPolarHBondContact O-CG 3.08Å; M840-K843 WeakPolarHBondContact O-CB 3.35Å; M840-K843 PolarHBondContact O-N 3.15Å; M840-K843 HydrophobicContact SD-CD 3.63Å; K841-K843 PolarHBondContact O-N 3.04Å
844	M	86.3	Confident	83.5	Confident	21 Å²	21	39.8 Å²	39.8	10%	0.103	23%	0.225	C	C	.	.	S	Bend	trans	-66.5	148.6	-173.8	-62.6	-162.4	63.8	0	0	112.9	I800 I806 F836 M840 K841 S846 C848 I850 L869	I800-M844 HydrophobicContact CG2-CG 3.71Å; I806-M844 HydrophobicContact CD1-CE 3.71Å; F836-M844 HydrophobicContact CD1-CE 4.49Å; F836-M844 HydrophobicContact CD1-SD 4.03Å; F836-M844 HydrophobicContact CE1-CE 3.92Å; F836-M844 HydrophobicContact CE1-SD 4.07Å; M840-M844 VanDerWaalsContact O-CG 3.29Å; M840-M844 WeakPolarHBondContact O-CG 3.34Å; M840-M844 PolarHBondContact O-N 3.31Å; K841-M844 WeakPolarHBondContact O-CG 3.37Å; K841-M844 PolarHBondContact O-N 3.16Å; M844-S846 PolarHBondContact O-N 3.13Å; M844-C848 HydrophobicContact CE-CB 4.34Å; M844-I850 HydrophobicContact CE-CD1 3.94Å; M844-I850 HydrophobicContact CE-CG1 4.4Å; M844-L869 HydrophobicContact SD-CD1 4.01Å; M844-L869 HydrophobicContact SD-CD2 4.17Å
845	K	84.9	Confident	83.1	Confident	71 Å²	71	37.4 Å²	37.4	31%	0.309	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-64.6	121.7	168.6	-167.5	179.5	-170.8	-179.8	0	109.7	D804 G847 C848	D804-K845 VanDerWaalsContact OD1-CE 3.3Å; D804-K845 WeakPolarHBondContact OD1-CE 3.44Å; D804-K845 IonicContact OD1-NZ 2.7Å; D804-K845 PolarHBondContact OD1-NZ 3.22Å; D804-K845 IonicContact OD2-NZ 3.57Å; D804-K845 PolarHBondContact OD2-NZ 3.23Å; K845-G847 PolarHBondContact O-N 3.26Å; K845-C848 HydrophobicContact CB-CB 4.46Å; K845-C848 WeakPolarHBondContact O-CB 3.5Å; K845-C848 PolarHBondContact O-N 3.33Å
846	S	80.4	Confident	82.4	Confident	116 Å²	116	38.1 Å²	38.1	81%	0.811	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	127.1	179	-177.6	0	0	0	0	111.1	M844	M844-S846 PolarHBondContact O-N 3.13Å
847	G	79.9	Confident	81.5	Confident	36 Å²	36	38.9 Å²	38.9	37%	0.371	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	14.1	-175.5	0	0	0	0	0	114.8	K845	K845-G847 PolarHBondContact O-N 3.26Å
848	C	88	Confident	80.7	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	137.2	173.4	178.7	0	0	0	0	111.6	D804 M844 K845 A875 A876	D804-C848 CarbonylContact O-C 3.57Å; D804-C848 VanDerWaalsContact O-CA 3.28Å; D804-C848 WeakPolarHBondContact O-CA 3.27Å; D804-C848 PolarHBondContact O-SG 3.18Å; D804-C848 VanDerWaalsContact O-SG 3.33Å; M844-C848 HydrophobicContact CE-CB 4.34Å; K845-C848 HydrophobicContact CB-CB 4.46Å; K845-C848 WeakPolarHBondContact O-CB 3.5Å; K845-C848 PolarHBondContact O-N 3.33Å; C848-A875 CarbonylContact O-C 3.57Å; C848-A875 WeakPolarHBondContact O-CA 3.28Å; C848-A875 WeakPolarHBondContact O-CB 3.4Å; C848-A876 PolarHBondContact O-N 3.24Å
849	H	90.4	Very high	80.4	Confident	39 Å²	39	36.5 Å²	36.5	18%	0.181	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141.9	169.4	-56.9	-95.6	0	0	0	110.3	D804 W805 I806 D877	D804-H849 PolarHBondContact O-N 3.07Å; W805-H849 CarbonylContact C-O 3.5Å; W805-H849 VanDerWaalsContact CA-O 3.32Å; W805-H849 WeakPolarHBondContact CA-O 3.18Å; W805-H849 HydrophobicContact CD2-CB 3.81Å; W805-H849 AromaticContact CE2-CD2 3.97Å; W805-H849 HydrophobicContact CE3-CB 3.86Å; W805-H849 HydrophobicContact CG-CB 4.49Å; W805-H849 HydrophobicContact CH2-CB 3.88Å; W805-H849 HydrophobicContact CZ2-CB 3.81Å; W805-H849 AromaticContact CZ2-CG 3.86Å; W805-H849 HydrophobicContact CZ3-CB 3.9Å; W805-H849 AromaticContact NE1-CD2 3.92Å; I806-H849 PolarHBondContact N-O 2.88Å; H849-D877 CarbonylContact C-O 3.49Å; H849-D877 WeakPolarHBondContact CA-O 3.31Å; H849-D877 IonicContact CE1-OD2 3.77Å; H849-D877 PolarHBondContact CE1-OD2 3.43Å; H849-D877 IonicContact ND1-OD2 2.68Å; H849-D877 PolarHBondContact ND1-OD2 3.4Å
850	I	91.6	Very high	80	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.5	-179.9	-54.1	177.4	0	0	0	109.1	I806 F836 M844 L869 A875 D877 I878 Y879	I806-I850 CarbonylContact O-C 3.59Å; I806-I850 WeakPolarHBondContact O-CA 3.21Å; F836-I850 HydrophobicContact CE1-CD1 4Å; F836-I850 HydrophobicContact CZ-CD1 4.06Å; F836-I850 HydrophobicContact CZ-CG2 4.43Å; M844-I850 HydrophobicContact CE-CD1 3.94Å; M844-I850 HydrophobicContact CE-CG1 4.4Å; I850-L869 HydrophobicContact CD1-CD2 3.46Å; I850-L869 VanDerWaalsContact CD1-CD2 3.46Å; I850-L869 HydrophobicContact CD1-CG 4.42Å; I850-A875 HydrophobicContact CD1-CB 3.91Å; I850-A875 HydrophobicContact CG1-CB 4.17Å; I850-D877 PolarHBondContact N-O 2.98Å; I850-I878 HydrophobicContact CB-CB 4.47Å; I850-I878 HydrophobicContact CB-CG1 4.21Å; I850-I878 HydrophobicContact CB-CG2 4.13Å; I850-I878 HydrophobicContact CD1-CD1 3.98Å; I850-I878 HydrophobicContact CD1-CG1 4.13Å; I850-I878 HydrophobicContact CG1-CG1 4.41Å; I850-I878 HydrophobicContact CG2-CG2 4.31Å; I850-I878 CarbonylContact O-C 3.57Å; I850-I878 WeakPolarHBondContact O-CA 3.5Å; I850-Y879 PolarHBondContact O-N 3.33Å
851	L	91	Very high	79.7	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	105	170	173.9	61.5	0	0	0	109.2	I664 I806 I807 F808 I853 Y879 L904	I664-L851 HydrophobicContact CB-CD2 4.34Å; I664-L851 HydrophobicContact CG1-CD2 4.3Å; I664-L851 HydrophobicContact CG2-CD2 3.47Å; I664-L851 VanDerWaalsContact CG2-CD2 3.47Å; I806-L851 PolarHBondContact O-N 3.34Å; I807-L851 CarbonylContact C-O 3.58Å; I807-L851 WeakPolarHBondContact CA-O 3.24Å; I807-L851 HydrophobicContact CG1-CB 4.38Å; I807-L851 HydrophobicContact CG2-CD2 4.27Å; I807-L851 HydrophobicContact CG2-CG 4.47Å; F808-L851 PolarHBondContact N-O 2.86Å; L851-I853 HydrophobicContact CD1-CD1 4.25Å; L851-I853 HydrophobicContact CD1-CG1 4.12Å; L851-I853 HydrophobicContact CD2-CD1 4.27Å; L851-I853 HydrophobicContact CG-CD1 4.15Å; L851-I853 HydrophobicContact CG-CG1 4.19Å; L851-Y879 WeakPolarHBondContact CA-O 3.08Å; L851-L904 HydrophobicContact CD1-CD1 3.98Å
852	Y	88.6	Confident	79.6	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.9	178.8	174.7	-121.8	0	0	0	111.2	F808 Q810 V832 N854 E862 L866 Y879 V880 L881 L882	F808-Y852 HydrophobicContact CB-CD2 4.18Å; F808-Y852 AromaticContact CD1-CD2 3.5Å; F808-Y852 HydrophobicContact CD1-CD2 3.5Å; F808-Y852 VanDerWaalsContact CD1-CD2 3.5Å; F808-Y852 AromaticContact CD1-CE2 3.67Å; F808-Y852 HydrophobicContact CD1-CE2 3.67Å; F808-Y852 HydrophobicContact CE1-CD2 4.15Å; F808-Y852 AromaticContact CE1-CE2 3.83Å; F808-Y852 HydrophobicContact CE1-CE2 3.83Å; F808-Y852 HydrophobicContact CG-CD2 4.02Å; F808-Y852 HydrophobicContact CG-CE2 4.37Å; Q810-Y852 PolarHBondContact OE1-OH 3.3Å; V832-Y852 HydrophobicContact CG2-CD1 4.44Å; V832-Y852 HydrophobicContact CG2-CD2 3.99Å; V832-Y852 HydrophobicContact CG2-CE1 4.04Å; V832-Y852 HydrophobicContact CG2-CE2 3.55Å; V832-Y852 HydrophobicContact CG2-CG 4.41Å; Y852-N854 HydrophobicContact CE1-CB 4.19Å; Y852-N854 HydrophobicContact CE2-CB 4.2Å; Y852-N854 WeakPolarHBondContact OH-CB 3.38Å; Y852-N854 PolarHBondContact OH-ND2 3.21Å; Y852-N854 VanDerWaalsContact OH-ND2 3.11Å; Y852-E862 PolarHBondContact OH-OE2 2.86Å; Y852-L866 HydrophobicContact CD1-CD1 3.29Å; Y852-L866 HydrophobicContact CE1-CD1 3.95Å; Y852-L866 HydrophobicContact CG-CD1 3.8Å; Y852-Y879 PolarHBondContact N-O 2.94Å; Y852-V880 HydrophobicContact CD1-CG1 4.22Å; Y852-L881 PolarHBondContact O-N 2.83Å; Y852-L882 HydrophobicContact CD1-CD2 4.43Å; Y852-L882 HydrophobicContact CE1-CD2 3.82Å
853	I	83.3	Confident	79.8	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	114.5	-177.3	-56.1	-177.6	0	0	0	109	I664 F808 I809 Q810 L851 L855 L881	I664-I853 HydrophobicContact CD1-CD1 3.31Å; I664-I853 HydrophobicContact CG1-CD1 3.74Å; F808-I853 PolarHBondContact O-N 3.03Å; I809-I853 WeakPolarHBondContact CA-O 3.49Å; I809-I853 HydrophobicContact CD1-CD1 4.43Å; I809-I853 HydrophobicContact CG1-CB 4.38Å; I809-I853 HydrophobicContact CG1-CD1 4.44Å; I809-I853 HydrophobicContact CG2-CB 4.25Å; I809-I853 HydrophobicContact CG2-CG2 4.24Å; Q810-I853 PolarHBondContact N-O 2.89Å; L851-I853 HydrophobicContact CD1-CD1 4.25Å; L851-I853 HydrophobicContact CD1-CG1 4.12Å; L851-I853 HydrophobicContact CD2-CD1 4.27Å; L851-I853 HydrophobicContact CG-CD1 4.15Å; L851-I853 HydrophobicContact CG-CG1 4.19Å; I853-L855 HydrophobicContact CG2-CD1 4.41Å; I853-L855 HydrophobicContact CG2-CD2 4.01Å; I853-L855 HydrophobicContact CG2-CG 3.98Å; I853-L881 WeakPolarHBondContact CA-O 3.32Å; I853-L881 HydrophobicContact CG1-CB 4.22Å; I853-L881 HydrophobicContact CG1-CD2 4.42Å; I853-L881 HydrophobicContact CG2-CD2 4.01Å; I853-L881 HydrophobicContact CG2-CG 4.42Å
854	N	78.4	Confident	79.7	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.5	174.9	176.9	-10	0	0	0	110.1	Q810 Y852 V856 D857 L881 L882	Q810-N854 HydrophobicContact CB-CB 4.42Å; Q810-N854 PolarHBondContact OE1-ND2 3.33Å; Y852-N854 HydrophobicContact CE1-CB 4.19Å; Y852-N854 HydrophobicContact CE2-CB 4.2Å; Y852-N854 WeakPolarHBondContact OH-CB 3.38Å; Y852-N854 PolarHBondContact OH-ND2 3.21Å; Y852-N854 VanDerWaalsContact OH-ND2 3.11Å; N854-V856 PolarHBondContact OD1-N 3.4Å; N854-D857 PolarHBondContact ND2-O 2.96Å; N854-D857 PolarHBondContact OD1-N 2.89Å; N854-D857 PolarHBondContact OD1-O 2.87Å; N854-L881 PolarHBondContact N-O 3.44Å; N854-L882 HydrophobicContact CB-CD2 4.08Å
855	L	70.6	Confident	79.7	Confident	25 Å²	25	33 Å²	33	13%	0.131	18%	0.18	C	C	.	.			trans	-112.2	12.1	-176.9	-56.5	179.6	0	0	0	112.7	L655 I758 Q810 I853 L908	L655-L855 HydrophobicContact CD1-CD1 4.31Å; L655-L855 HydrophobicContact CD2-CD1 4.01Å; I758-L855 HydrophobicContact CD1-CD1 3.64Å; Q810-L855 PolarHBondContact O-N 2.75Å; I853-L855 HydrophobicContact CG2-CD1 4.41Å; I853-L855 HydrophobicContact CG2-CD2 4.01Å; I853-L855 HydrophobicContact CG2-CG 3.98Å; L855-L908 HydrophobicContact CD2-CD2 4.02Å
856	V	65.5	Low	79.8	Confident	15 Å²	15	29.7 Å²	29.7	9%	0.091	17%	0.166	C	C	.	.	S	Bend	trans	-111.1	-62	-172.7	-167.6	0	0	0	0	112.3	M815 N854 R883	M815-V856 HydrophobicContact CG-CG2 4.49Å; M815-V856 HydrophobicContact SD-CB 4.14Å; M815-V856 HydrophobicContact SD-CG1 3.75Å; M815-V856 HydrophobicContact SD-CG2 3.97Å; N854-V856 PolarHBondContact OD1-N 3.4Å; V856-R883 PolarHBondContact O-NH1 3.34Å
857	D	64.4	Low	80	Confident	19 Å²	19	24.9 Å²	24.9	10%	0.102	13%	0.131	C	C	.	.			trans	-153	120.4	-167.6	-82.5	-55.5	0	0	0	108.6	K635 R819 N854 Y859	K635-D857 IonicContact NZ-OD1 2.6Å; K635-D857 PolarHBondContact NZ-OD1 2.8Å; K635-D857 IonicContact NZ-OD2 3.22Å; K635-D857 PolarHBondContact NZ-OD2 3.04Å; R819-D857 IonicContact NH2-OD2 2.64Å; R819-D857 PolarHBondContact NH2-OD2 2.77Å; N854-D857 PolarHBondContact ND2-O 2.96Å; N854-D857 PolarHBondContact OD1-N 2.89Å; N854-D857 PolarHBondContact OD1-O 2.87Å; D857-Y859 HydrophobicContact CB-CD2 4.39Å; D857-Y859 HydrophobicContact CB-CE1 4.37Å; D857-Y859 HydrophobicContact CB-CE2 3.6Å; D857-Y859 WeakPolarHBondContact CB-OH 3.42Å; D857-Y859 WeakPolarHBondContact O-CD2 3.44Å; D857-Y859 WeakPolarHBondContact O-CE2 3.3Å; D857-Y859 PolarHBondContact O-N 2.84Å; D857-Y859 VanDerWaalsContact O-N 3.15Å; D857-Y859 PolarHBondContact OD2-OH 2.94Å
858	D	66.1	Low	80.3	Confident	30 Å²	30	26 Å²	26	16%	0.16	13%	0.131	C	C	.	.			trans	-74	102.9	-178.1	-50.8	-84.7	0	0	0	111.6	P860 R883 K884 L889	D858-P860 WeakPolarHBondContact O-CD 3.46Å; D858-R883 WeakPolarHBondContact OD1-CA 3.42Å; D858-R883 WeakPolarHBondContact OD1-CB 3.43Å; D858-R883 PolarHBondContact OD1-N 3.5Å; D858-K884 HydrophobicContact CB-CD 4.31Å; D858-K884 PolarHBondContact OD1-N 3.39Å; D858-K884 WeakPolarHBondContact OD2-CG 3.21Å; D858-L889 HydrophobicContact CB-CD1 4.24Å
859	Y	70.1	Confident	80.2	Confident	97 Å²	97	26 Å²	26	38%	0.38	13%	0.131	S	C	.	.			trans	-94.3	111.9	176.4	-61.9	-71.8	0	0	0	111.2	D857 H861 E862	D857-Y859 HydrophobicContact CB-CD2 4.39Å; D857-Y859 HydrophobicContact CB-CE1 4.37Å; D857-Y859 HydrophobicContact CB-CE2 3.6Å; D857-Y859 WeakPolarHBondContact CB-OH 3.42Å; D857-Y859 WeakPolarHBondContact O-CD2 3.44Å; D857-Y859 WeakPolarHBondContact O-CE2 3.3Å; D857-Y859 PolarHBondContact O-N 2.84Å; D857-Y859 VanDerWaalsContact O-N 3.15Å; D857-Y859 PolarHBondContact OD2-OH 2.94Å; Y859-H861 VanDerWaalsContact C-N 3.26Å; Y859-H861 PolarHBondContact O-N 3.14Å; Y859-E862 VanDerWaalsContact CD2-OE2 3.29Å; Y859-E862 WeakPolarHBondContact CD2-OE2 3.46Å; Y859-E862 PolarHBondContact O-N 3.43Å; Y859-E862 VanDerWaalsContact O-N 3.15Å
860	P	72.7	Confident	80	Confident	23 Å²	23	24.4 Å²	24.4	15%	0.149	12%	0.124	C	C	.	.	H	α-helix	trans	-65.6	-29.6	-175.9	27	-35.8	0	0	0	112.8	D858 E862 L863 I864 F893	D858-P860 WeakPolarHBondContact O-CD 3.46Å; P860-E862 VanDerWaalsContact C-N 3.29Å; P860-E862 PolarHBondContact O-N 3.41Å; P860-L863 PolarHBondContact O-N 3.1Å; P860-I864 WeakPolarHBondContact O-CG1 3.41Å; P860-I864 PolarHBondContact O-N 3.24Å; P860-F893 HydrophobicContact CB-CD1 4Å; P860-F893 HydrophobicContact CB-CD2 3.65Å; P860-F893 HydrophobicContact CB-CE1 3.85Å; P860-F893 HydrophobicContact CB-CE2 3.51Å; P860-F893 HydrophobicContact CB-CG 3.92Å; P860-F893 HydrophobicContact CB-CZ 3.63Å; P860-F893 HydrophobicContact CG-CD1 4.4Å; P860-F893 HydrophobicContact CG-CD2 4.49Å; P860-F893 HydrophobicContact CG-CE1 3.8Å; P860-F893 HydrophobicContact CG-CE2 3.93Å; P860-F893 HydrophobicContact CG-CZ 3.55Å
861	H	76.3	Confident	79.6	Confident	122 Å²	122	29 Å²	29	57%	0.565	15%	0.145	S	C	*	.	H	α-helix	trans	-62.5	-33.2	176	-58.3	-64.7	0	0	0	113.1	N833 Y859 I864 T865	N833-H861 PolarHBondContact OD1-O 3.09Å; Y859-H861 VanDerWaalsContact C-N 3.26Å; Y859-H861 PolarHBondContact O-N 3.14Å; H861-I864 PolarHBondContact O-N 2.9Å; H861-T865 PolarHBondContact O-N 3.18Å; H861-T865 PolarHBondContact O-OG1 2.83Å; H861-T865 VanDerWaalsContact O-OG1 3.09Å
862	E	81	Confident	79.3	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-70.9	-37.6	177.2	-62.2	-168.9	116.1	0	0	110.8	T831 V832 Y852 Y859 P860 T865 L866	T831-E862 VanDerWaalsContact CA-OE1 3.32Å; T831-E862 WeakPolarHBondContact CA-OE1 3.33Å; T831-E862 WeakPolarHBondContact CB-OE1 3.14Å; V832-E862 HydrophobicContact CB-CB 3.78Å; V832-E862 HydrophobicContact CB-CG 3.84Å; V832-E862 HydrophobicContact CG1-CB 4.31Å; V832-E862 HydrophobicContact CG2-CB 3.87Å; V832-E862 HydrophobicContact CG2-CG 4.11Å; V832-E862 WeakPolarHBondContact CG2-OE1 3.28Å; V832-E862 PolarHBondContact N-OE1 2.85Å; Y852-E862 PolarHBondContact OH-OE2 2.86Å; Y859-E862 VanDerWaalsContact CD2-OE2 3.29Å; Y859-E862 WeakPolarHBondContact CD2-OE2 3.46Å; Y859-E862 PolarHBondContact O-N 3.43Å; Y859-E862 VanDerWaalsContact O-N 3.15Å; P860-E862 VanDerWaalsContact C-N 3.29Å; P860-E862 PolarHBondContact O-N 3.41Å; E862-T865 PolarHBondContact O-N 3.31Å; E862-L866 WeakPolarHBondContact O-CG 3.33Å; E862-L866 PolarHBondContact O-N 3.42Å
863	L	81.9	Confident	78.9	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-65.8	-39	172.5	-178.2	62.9	0	0	0	112.2	P860 N867 V880 L882 L889 T890 I895 L901	P860-L863 PolarHBondContact O-N 3.1Å; L863-N867 WeakPolarHBondContact O-CB 3.44Å; L863-N867 PolarHBondContact O-N 2.66Å; L863-V880 HydrophobicContact CD1-CG1 4.18Å; L863-L882 HydrophobicContact CB-CD1 4.41Å; L863-L882 HydrophobicContact CD1-CD1 4.38Å; L863-L882 HydrophobicContact CD2-CD1 4.2Å; L863-L889 HydrophobicContact CD2-CB 3.9Å; L863-T890 HydrophobicContact CD2-CG2 4.27Å; L863-I895 HydrophobicContact CD2-CD1 4.03Å; L863-I895 HydrophobicContact CG-CD1 4.16Å; L863-L901 HydrophobicContact CD1-CD2 4.17Å
864	I	83.3	Confident	78.8	Confident	66 Å²	66	38.9 Å²	38.9	34%	0.338	21%	0.208	S	C	.	.	H	α-helix	trans	-61.2	-50	173.9	-68.8	165.8	0	0	0	110.1	P860 H861 L866 N867 T868 I895	P860-I864 WeakPolarHBondContact O-CG1 3.41Å; P860-I864 PolarHBondContact O-N 3.24Å; H861-I864 PolarHBondContact O-N 2.9Å; I864-L866 PolarHBondContact O-N 3.19Å; I864-N867 PolarHBondContact O-N 2.7Å; I864-N867 VanDerWaalsContact O-N 3.13Å; I864-T868 WeakPolarHBondContact O-CG2 3.35Å; I864-T868 PolarHBondContact O-N 3.2Å; I864-I895 HydrophobicContact CG1-CD1 3.66Å; I864-I895 HydrophobicContact CG1-CG1 4.2Å
865	T	85.1	Confident	79.1	Confident	23 Å²	23	38.9 Å²	38.9	14%	0.141	21%	0.208	C	C	.	.	H	α-helix	trans	-57.1	-47.5	178.5	-61.5	0	0	0	0	111.6	V832 N833 F836 H861 E862 N867 T868 L869	V832-T865 HydrophobicContact CG1-CG2 4.01Å; N833-T865 WeakPolarHBondContact OD1-CB 3.49Å; N833-T865 PolarHBondContact OD1-OG1 3.33Å; F836-T865 HydrophobicContact CB-CG2 4.32Å; H861-T865 PolarHBondContact O-N 3.18Å; H861-T865 PolarHBondContact O-OG1 2.83Å; H861-T865 VanDerWaalsContact O-OG1 3.09Å; E862-T865 PolarHBondContact O-N 3.31Å; T865-N867 VanDerWaalsContact C-N 3.35Å; T865-N867 PolarHBondContact O-N 3.04Å; T865-T868 PolarHBondContact O-N 2.77Å; T865-T868 PolarHBondContact O-OG1 3.09Å; T865-L869 PolarHBondContact O-N 3.11Å
866	L	86.5	Confident	79.6	Confident	1 Å²	1	39 Å²	39	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-39.5	176.5	-70.2	168	0	0	0	112.4	V832 Y852 E862 I864 T868 L869 A870 I878 V880 L901	V832-L866 HydrophobicContact CG1-CD1 4.22Å; V832-L866 HydrophobicContact CG1-CD2 3.97Å; V832-L866 HydrophobicContact CG1-CG 3.74Å; V832-L866 HydrophobicContact CG2-CD1 4.48Å; Y852-L866 HydrophobicContact CD1-CD1 3.29Å; Y852-L866 HydrophobicContact CE1-CD1 3.95Å; Y852-L866 HydrophobicContact CG-CD1 3.8Å; E862-L866 WeakPolarHBondContact O-CG 3.33Å; E862-L866 PolarHBondContact O-N 3.42Å; I864-L866 PolarHBondContact O-N 3.19Å; L866-T868 VanDerWaalsContact C-N 3.35Å; L866-T868 PolarHBondContact O-N 3.31Å; L866-L869 PolarHBondContact O-N 3.16Å; L866-A870 PolarHBondContact O-N 3.41Å; L866-I878 HydrophobicContact CB-CG2 4.22Å; L866-I878 HydrophobicContact CD2-CD1 4.45Å; L866-I878 HydrophobicContact CD2-CG2 3.9Å; L866-I878 HydrophobicContact CG-CG2 4.44Å; L866-I878 WeakPolarHBondContact O-CD1 3.31Å; L866-V880 HydrophobicContact CD1-CG2 3.91Å; L866-L901 HydrophobicContact CB-CD1 4.32Å
867	N	86	Confident	80.6	Confident	15 Å²	15	40.2 Å²	40.2	8%	0.08	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-37.4	175	-171.9	57.7	0	0	0	112.1	L863 I864 T865 L869 H871 I895 Q896 S898 L901	L863-N867 WeakPolarHBondContact O-CB 3.44Å; L863-N867 PolarHBondContact O-N 2.66Å; I864-N867 PolarHBondContact O-N 2.7Å; I864-N867 VanDerWaalsContact O-N 3.13Å; T865-N867 VanDerWaalsContact C-N 3.35Å; T865-N867 PolarHBondContact O-N 3.04Å; N867-L869 VanDerWaalsContact C-N 3.35Å; N867-H871 PolarHBondContact ND2-CE1 2.99Å; N867-H871 PolarHBondContact ND2-ND1 3.38Å; N867-H871 PolarHBondContact O-N 3.12Å; N867-H871 PolarHBondContact O-ND1 3.48Å; N867-H871 PolarHBondContact OD1-CE1 3.45Å; N867-I895 HydrophobicContact CB-CG2 4.11Å; N867-I895 VanDerWaalsContact ND2-CG2 3.3Å; N867-I895 WeakPolarHBondContact ND2-CG2 3.46Å; N867-Q896 PolarHBondContact ND2-O 3.08Å; N867-Q896 PolarHBondContact OD1-O 3.38Å; N867-S898 PolarHBondContact OD1-N 2.98Å; N867-S898 PolarHBondContact OD1-OG 3.37Å; N867-L901 HydrophobicContact CB-CD2 3.84Å
868	T	85.1	Confident	81.7	Confident	60 Å²	60	39.3 Å²	39.3	37%	0.368	21%	0.214	S	C	.	.	H	α-helix	trans	-65.8	-37.9	173	67.1	0	0	0	0	112.1	I864 T865 L866 H871 S872	I864-T868 WeakPolarHBondContact O-CG2 3.35Å; I864-T868 PolarHBondContact O-N 3.2Å; T865-T868 PolarHBondContact O-N 2.77Å; T865-T868 PolarHBondContact O-OG1 3.09Å; L866-T868 VanDerWaalsContact C-N 3.35Å; L866-T868 PolarHBondContact O-N 3.31Å; T868-H871 PolarHBondContact O-N 2.94Å; T868-S872 PolarHBondContact O-N 3.08Å; T868-S872 PolarHBondContact O-OG 3.47Å
869	L	86	Confident	82.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.9	-37.3	-179.9	-174.4	59.5	0	0	0	112.4	F836 K841 M844 I850 T865 L866 N867 S872 G873 Y874 I878	F836-L869 HydrophobicContact CB-CD2 4.31Å; F836-L869 HydrophobicContact CD1-CD2 3.73Å; F836-L869 HydrophobicContact CE1-CD2 4.18Å; F836-L869 HydrophobicContact CG-CD2 4Å; K841-L869 HydrophobicContact CB-CD1 4.27Å; K841-L869 HydrophobicContact CD-CD1 3.94Å; K841-L869 HydrophobicContact CG-CD1 3.87Å; M844-L869 HydrophobicContact SD-CD1 4.01Å; M844-L869 HydrophobicContact SD-CD2 4.17Å; I850-L869 HydrophobicContact CD1-CD2 3.46Å; I850-L869 VanDerWaalsContact CD1-CD2 3.46Å; I850-L869 HydrophobicContact CD1-CG 4.42Å; T865-L869 PolarHBondContact O-N 3.11Å; L866-L869 PolarHBondContact O-N 3.16Å; N867-L869 VanDerWaalsContact C-N 3.35Å; L869-S872 WeakPolarHBondContact CA-OG 3.4Å; L869-S872 PolarHBondContact O-OG 2.85Å; L869-S872 VanDerWaalsContact O-OG 3.04Å; L869-G873 PolarHBondContact O-N 2.94Å; L869-Y874 HydrophobicContact CD1-CD2 4.11Å; L869-I878 HydrophobicContact CB-CD1 3.9Å; L869-I878 HydrophobicContact CD2-CD1 4.04Å; L869-I878 HydrophobicContact CG-CD1 3.9Å
870	A	85.9	Confident	83.3	Confident	5 Å²	5	34.2 Å²	34.2	4%	0.041	19%	0.192	C	C	.	.	H	α-helix	trans	-70.2	-37.2	171.9	0	0	0	0	0	112.6	L866 G873 I878 S898 N900 L901	L866-A870 PolarHBondContact O-N 3.41Å; A870-G873 PolarHBondContact O-N 3.13Å; A870-I878 HydrophobicContact CB-CD1 3.84Å; A870-I878 HydrophobicContact CB-CG1 4.22Å; A870-S898 WeakPolarHBondContact CB-OG 3.49Å; A870-N900 HydrophobicContact CB-CB 4.17Å; A870-L901 HydrophobicContact CB-CB 4.36Å
871	H	84.8	Confident	83.6	Confident	98 Å²	98	33.2 Å²	33.2	45%	0.454	19%	0.186	S	C	.	.	H	α-helix	trans	-67.3	-32.9	173.2	-79.8	93.9	0	0	0	113.1	N867 T868 G873 Q896 S898	N867-H871 PolarHBondContact ND2-CE1 2.99Å; N867-H871 PolarHBondContact ND2-ND1 3.38Å; N867-H871 PolarHBondContact O-N 3.12Å; N867-H871 PolarHBondContact O-ND1 3.48Å; N867-H871 PolarHBondContact OD1-CE1 3.45Å; T868-H871 PolarHBondContact O-N 2.94Å; H871-G873 VanDerWaalsContact C-N 3.29Å; H871-G873 PolarHBondContact O-N 3.26Å; H871-Q896 PolarHBondContact CE1-O 3.48Å; H871-Q896 VanDerWaalsContact CE1-O 3.29Å; H871-S898 WeakPolarHBondContact CE1-CB 3.14Å; H871-S898 PolarHBondContact CE1-N 3.06Å; H871-S898 VanDerWaalsContact CE1-N 3.31Å
872	S	83	Confident	83.4	Confident	60 Å²	60	27.6 Å²	27.6	42%	0.42	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-3.5	179.9	62	0	0	0	0	114.2	T868 L869 Y874	T868-S872 PolarHBondContact O-N 3.08Å; T868-S872 PolarHBondContact O-OG 3.47Å; L869-S872 WeakPolarHBondContact CA-OG 3.4Å; L869-S872 PolarHBondContact O-OG 2.85Å; L869-S872 VanDerWaalsContact O-OG 3.04Å; S872-Y874 PolarHBondContact O-N 3.01Å; S872-Y874 VanDerWaalsContact O-N 3.16Å; S872-Y874 VanDerWaalsContact OG-CD2 3.22Å; S872-Y874 WeakPolarHBondContact OG-CD2 3.46Å
873	G	80.6	Confident	82.7	Confident	51 Å²	51	28.1 Å²	28.1	53%	0.526	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	8.1	172.3	0	0	0	0	0	116.6	L869 A870 H871 A875	L869-G873 PolarHBondContact O-N 2.94Å; A870-G873 PolarHBondContact O-N 3.13Å; H871-G873 VanDerWaalsContact C-N 3.29Å; H871-G873 PolarHBondContact O-N 3.26Å; G873-A875 VanDerWaalsContact C-N 3.32Å
874	Y	81.6	Confident	82	Confident	100 Å²	100	31.6 Å²	31.6	39%	0.392	18%	0.177	S	C	.	.	S	Bend	trans	-66.9	-35.5	175.8	-69	-62.8	0	0	0	111.9	K841 L869 S872	K841-Y874 HydrophobicContact CB-CD2 3.79Å; K841-Y874 HydrophobicContact CB-CE2 3.85Å; L869-Y874 HydrophobicContact CD1-CD2 4.11Å; S872-Y874 PolarHBondContact O-N 3.01Å; S872-Y874 VanDerWaalsContact O-N 3.16Å; S872-Y874 VanDerWaalsContact OG-CD2 3.22Å; S872-Y874 WeakPolarHBondContact OG-CD2 3.46Å
875	A	84	Confident	81.2	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	143.9	172.2	0	0	0	0	0	110.7	C848 I850 G873 I878	C848-A875 CarbonylContact O-C 3.57Å; C848-A875 WeakPolarHBondContact O-CA 3.28Å; C848-A875 WeakPolarHBondContact O-CB 3.4Å; I850-A875 HydrophobicContact CD1-CB 3.91Å; I850-A875 HydrophobicContact CG1-CB 4.17Å; G873-A875 VanDerWaalsContact C-N 3.32Å; A875-I878 HydrophobicContact CB-CD1 3.97Å; A875-I878 HydrophobicContact CB-CG1 3.77Å
876	A	82.4	Confident	80.2	Confident	29 Å²	29	28.6 Å²	28.6	24%	0.24	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-62.2	174.3	0	0	0	0	0	110.6	C848 N900	C848-A876 PolarHBondContact O-N 3.24Å; A876-N900 WeakPolarHBondContact O-CB 3.34Å; A876-N900 PolarHBondContact O-ND2 3.1Å
877	D	85.9	Confident	79.3	Confident	39 Å²	39	33.9 Å²	33.9	21%	0.209	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.2	173.3	-60.8	-78.5	0	0	0	110.5	H849 I850 Y879 I902	H849-D877 CarbonylContact C-O 3.49Å; H849-D877 WeakPolarHBondContact CA-O 3.31Å; H849-D877 IonicContact CE1-OD2 3.77Å; H849-D877 PolarHBondContact CE1-OD2 3.43Å; H849-D877 IonicContact ND1-OD2 2.68Å; H849-D877 PolarHBondContact ND1-OD2 3.4Å; I850-D877 PolarHBondContact N-O 2.98Å; D877-Y879 HydrophobicContact CB-CD2 4.33Å; D877-Y879 HydrophobicContact CB-CE2 3.67Å; D877-I902 HydrophobicContact CB-CD1 4.18Å
878	I	87.8	Confident	78.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	100.2	173.2	-54	-171.1	0	0	0	108.6	I850 L866 L869 A870 A875 V880 N900 L901 I902	I850-I878 HydrophobicContact CB-CB 4.47Å; I850-I878 HydrophobicContact CB-CG1 4.21Å; I850-I878 HydrophobicContact CB-CG2 4.13Å; I850-I878 HydrophobicContact CD1-CD1 3.98Å; I850-I878 HydrophobicContact CD1-CG1 4.13Å; I850-I878 HydrophobicContact CG1-CG1 4.41Å; I850-I878 HydrophobicContact CG2-CG2 4.31Å; I850-I878 CarbonylContact O-C 3.57Å; I850-I878 WeakPolarHBondContact O-CA 3.5Å; L866-I878 HydrophobicContact CB-CG2 4.22Å; L866-I878 HydrophobicContact CD2-CD1 4.45Å; L866-I878 HydrophobicContact CD2-CG2 3.9Å; L866-I878 HydrophobicContact CG-CG2 4.44Å; L866-I878 WeakPolarHBondContact O-CD1 3.31Å; L869-I878 HydrophobicContact CB-CD1 3.9Å; L869-I878 HydrophobicContact CD2-CD1 4.04Å; L869-I878 HydrophobicContact CG-CD1 3.9Å; A870-I878 HydrophobicContact CB-CD1 3.84Å; A870-I878 HydrophobicContact CB-CG1 4.22Å; A875-I878 HydrophobicContact CB-CD1 3.97Å; A875-I878 HydrophobicContact CB-CG1 3.77Å; I878-V880 HydrophobicContact CG2-CG2 3.81Å; I878-N900 PolarHBondContact N-O 3.15Å; I878-L901 HydrophobicContact CB-CD1 4.01Å; I878-L901 HydrophobicContact CG2-CD1 3.9Å; I878-L901 CarbonylContact O-C 3.59Å; I878-I902 PolarHBondContact O-N 3Å
879	Y	86.7	Confident	77.5	Confident	20 Å²	20	34.9 Å²	34.9	8%	0.078	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	122.5	173.2	-59.2	-83.6	0	0	0	109.6	I667 T671 W805 I850 L851 Y852 D877 I902 L904	I667-Y879 HydrophobicContact CG2-CD1 3.84Å; I667-Y879 HydrophobicContact CG2-CD2 4.2Å; I667-Y879 HydrophobicContact CG2-CE1 3.94Å; I667-Y879 HydrophobicContact CG2-CE2 4.29Å; I667-Y879 HydrophobicContact CG2-CG 3.99Å; T671-Y879 WeakPolarHBondContact CG2-OH 3.33Å; T671-Y879 PolarHBondContact OG1-OH 3.38Å; W805-Y879 HydrophobicContact CH2-CD2 4.16Å; W805-Y879 AromaticContact CH2-CE2 3.66Å; W805-Y879 HydrophobicContact CH2-CE2 3.66Å; W805-Y879 AromaticContact CZ3-CD2 3.98Å; W805-Y879 HydrophobicContact CZ3-CD2 3.98Å; W805-Y879 AromaticContact CZ3-CE2 3.97Å; W805-Y879 HydrophobicContact CZ3-CE2 3.97Å; I850-Y879 PolarHBondContact O-N 3.33Å; L851-Y879 WeakPolarHBondContact CA-O 3.08Å; Y852-Y879 PolarHBondContact N-O 2.94Å; D877-Y879 HydrophobicContact CB-CD2 4.33Å; D877-Y879 HydrophobicContact CB-CE2 3.67Å; Y879-I902 WeakPolarHBondContact CA-O 3.47Å; Y879-I902 HydrophobicContact CD1-CB 3.67Å; Y879-I902 HydrophobicContact CD1-CD1 4.1Å; Y879-I902 HydrophobicContact CD1-CG1 4.45Å; Y879-I902 HydrophobicContact CD1-CG2 3.65Å; Y879-I902 HydrophobicContact CE1-CB 3.92Å; Y879-I902 HydrophobicContact CE1-CD1 3.43Å; Y879-I902 VanDerWaalsContact CE1-CD1 3.43Å; Y879-I902 HydrophobicContact CE1-CG1 4.24Å; Y879-I902 HydrophobicContact CE1-CG2 3.83Å; Y879-I902 HydrophobicContact CG-CB 4.46Å; Y879-L904 HydrophobicContact CD1-CD2 4.43Å
880	V	83.3	Confident	76.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124	-176.9	176	0	0	0	0	111.3	Y852 L863 L866 I878 L882 L901 I902 L904	Y852-V880 HydrophobicContact CD1-CG1 4.22Å; L863-V880 HydrophobicContact CD1-CG1 4.18Å; L866-V880 HydrophobicContact CD1-CG2 3.91Å; I878-V880 HydrophobicContact CG2-CG2 3.81Å; V880-L882 HydrophobicContact CG1-CD1 4.23Å; V880-L882 HydrophobicContact CG1-CD2 4.25Å; V880-L882 HydrophobicContact CG1-CG 3.82Å; V880-L901 HydrophobicContact CG2-CD1 3.6Å; V880-I902 PolarHBondContact N-O 3.35Å; V880-L904 PolarHBondContact O-N 3.17Å
881	L	78.6	Confident	75.9	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	113.1	171.4	178	61	0	0	0	109.9	Y852 I853 N854 L904 L908	Y852-L881 PolarHBondContact O-N 2.83Å; I853-L881 WeakPolarHBondContact CA-O 3.32Å; I853-L881 HydrophobicContact CG1-CB 4.22Å; I853-L881 HydrophobicContact CG1-CD2 4.42Å; I853-L881 HydrophobicContact CG2-CD2 4.01Å; I853-L881 HydrophobicContact CG2-CG 4.42Å; N854-L881 PolarHBondContact N-O 3.44Å; L881-L904 HydrophobicContact CB-CB 4.2Å; L881-L904 HydrophobicContact CB-CD1 4.12Å; L881-L904 HydrophobicContact CD1-CB 4.22Å; L881-L908 HydrophobicContact CD1-CB 4.29Å; L881-L908 HydrophobicContact CD2-CB 3.93Å; L881-L908 HydrophobicContact CD2-CD1 3.79Å; L881-L908 HydrophobicContact CD2-CD2 3.97Å; L881-L908 HydrophobicContact CD2-CG 4.09Å
882	L	73.1	Confident	75	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.021	22%	0.224	C	C	.	.			trans	-108.6	173.5	172.8	-61.1	178.4	0	0	0	109.7	Y852 N854 L863 V880 L889	Y852-L882 HydrophobicContact CD1-CD2 4.43Å; Y852-L882 HydrophobicContact CE1-CD2 3.82Å; N854-L882 HydrophobicContact CB-CD2 4.08Å; L863-L882 HydrophobicContact CB-CD1 4.41Å; L863-L882 HydrophobicContact CD1-CD1 4.38Å; L863-L882 HydrophobicContact CD2-CD1 4.2Å; V880-L882 HydrophobicContact CG1-CD1 4.23Å; V880-L882 HydrophobicContact CG1-CD2 4.25Å; V880-L882 HydrophobicContact CG1-CG 3.82Å; L882-L889 HydrophobicContact CB-CD1 4.43Å; L882-L889 HydrophobicContact CD1-CD1 3.46Å; L882-L889 VanDerWaalsContact CD1-CD1 3.46Å
883	R	65.9	Low	74.4	Confident	15 Å²	15	41.3 Å²	41.3	6%	0.057	22%	0.223	C	C	.	.	S	Bend	trans	-83.4	-36.7	-179.7	-171	-174.1	113.6	178.6	8.3	111.2	E609 C631 L632 N633 V856 D858 N906 N909	E609-R883 IonicContact OE1-CZ 3.43Å; E609-R883 IonicContact OE1-NE 2.87Å; E609-R883 PolarHBondContact OE1-NE 3.42Å; E609-R883 VanDerWaalsContact OE1-NE 3.1Å; E609-R883 IonicContact OE1-NH2 3.77Å; E609-R883 PolarHBondContact OE1-NH2 3.02Å; C631-R883 WeakPolarHBondContact O-CD 3.43Å; C631-R883 WeakPolarHBondContact O-CG 3.34Å; C631-R883 PolarHBondContact O-NE 2.86Å; L632-R883 VanDerWaalsContact C-NH2 3.33Å; N633-R883 PolarHBondContact O-NH1 3.03Å; N633-R883 PolarHBondContact O-NH2 2.58Å; V856-R883 PolarHBondContact O-NH1 3.34Å; D858-R883 WeakPolarHBondContact OD1-CA 3.42Å; D858-R883 WeakPolarHBondContact OD1-CB 3.43Å; D858-R883 PolarHBondContact OD1-N 3.5Å; R883-N906 PolarHBondContact O-OD1 3.44Å; R883-N909 PolarHBondContact O-ND2 3.02Å
884	K	65.6	Low	73.8	Confident	74 Å²	74	46 Å²	46	32%	0.322	24%	0.236	S	C	.	.	S	Bend	trans	-80.2	156.3	163.4	-77.2	173.4	174.2	-173	0	111	D858 C886 L889	D858-K884 HydrophobicContact CB-CD 4.31Å; D858-K884 PolarHBondContact OD1-N 3.39Å; D858-K884 WeakPolarHBondContact OD2-CG 3.21Å; K884-C886 PolarHBondContact O-N 3.15Å; K884-L889 HydrophobicContact CB-CD1 4.06Å; K884-L889 HydrophobicContact CB-CG 4.23Å; K884-L889 HydrophobicContact CD-CD2 3.99Å; K884-L889 HydrophobicContact CD-CG 4.47Å
885	S	66.7	Low	73.4	Confident	23 Å²	23	42.2 Å²	42.2	16%	0.161	22%	0.222	C	C	.	.			trans	-61.2	124.1	167.7	37.1	0	0	0	0	110.1	E887 N888 L889	S885-E887 PolarHBondContact O-N 3.16Å; S885-E887 VanDerWaalsContact O-N 3.13Å; S885-N888 WeakPolarHBondContact O-CB 3.38Å; S885-N888 PolarHBondContact O-N 3.41Å; S885-N888 PolarHBondContact OG-OD1 3.49Å; S885-L889 PolarHBondContact O-N 2.96Å
886	C	65.6	Low	73	Confident	3 Å²	3	50 Å²	50	2%	0.02	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-28.7	178.9	-55.1	0	0	0	0	112.1	K884 N888 L889 T890 C903	K884-C886 PolarHBondContact O-N 3.15Å; C886-N888 VanDerWaalsContact C-N 3.34Å; C886-N888 PolarHBondContact O-N 3.46Å; C886-L889 PolarHBondContact O-N 2.88Å; C886-T890 WeakPolarHBondContact O-CG2 3.3Å; C886-T890 PolarHBondContact O-N 3.05Å; C886-T890 PolarHBondContact O-OG1 3.28Å; C886-C903 HydrophobicContact CB-CB 3.64Å
887	E	65.8	Low	72.7	Confident	112 Å²	112	53.3 Å²	53.3	52%	0.523	27%	0.267	S	S	.	.	H	α-helix	trans	-59.3	-40.8	174.2	-67.3	169.2	164.3	0	0	112.8	S885 T890 S891 N905	S885-E887 PolarHBondContact O-N 3.16Å; S885-E887 VanDerWaalsContact O-N 3.13Å; E887-T890 WeakPolarHBondContact CA-OG1 3.27Å; E887-T890 PolarHBondContact O-OG1 3.17Å; E887-S891 WeakPolarHBondContact O-CB 3.07Å; E887-S891 PolarHBondContact O-N 2.96Å; E887-S891 VanDerWaalsContact O-N 3.15Å; E887-S891 PolarHBondContact O-OG 3Å; E887-N905 PolarHBondContact OE1-ND2 3.1Å
888	N	66.1	Low	72.4	Confident	94 Å²	94	51.5 Å²	51.5	50%	0.503	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-43.2	174.7	-66.3	37.8	0	0	0	109.9	S885 C886 S891 E892	S885-N888 WeakPolarHBondContact O-CB 3.38Å; S885-N888 PolarHBondContact O-N 3.41Å; S885-N888 PolarHBondContact OG-OD1 3.49Å; C886-N888 VanDerWaalsContact C-N 3.34Å; C886-N888 PolarHBondContact O-N 3.46Å; N888-S891 PolarHBondContact O-N 2.99Å; N888-S891 PolarHBondContact O-OG 2.97Å; N888-S891 VanDerWaalsContact O-OG 3.08Å; N888-E892 WeakPolarHBondContact O-CB 3.35Å; N888-E892 PolarHBondContact O-N 2.68Å
889	L	67.5	Low	71.9	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-68.4	-41.8	179.4	-66.4	170.5	0	0	0	112.4	D858 L863 L882 K884 S885 C886 S891 E892 F893	D858-L889 HydrophobicContact CB-CD1 4.24Å; L863-L889 HydrophobicContact CD2-CB 3.9Å; L882-L889 HydrophobicContact CB-CD1 4.43Å; L882-L889 HydrophobicContact CD1-CD1 3.46Å; L882-L889 VanDerWaalsContact CD1-CD1 3.46Å; K884-L889 HydrophobicContact CB-CD1 4.06Å; K884-L889 HydrophobicContact CB-CG 4.23Å; K884-L889 HydrophobicContact CD-CD2 3.99Å; K884-L889 HydrophobicContact CD-CG 4.47Å; S885-L889 PolarHBondContact O-N 2.96Å; C886-L889 PolarHBondContact O-N 2.88Å; L889-S891 VanDerWaalsContact C-N 3.26Å; L889-S891 PolarHBondContact O-N 3.01Å; L889-E892 PolarHBondContact O-N 3.35Å; L889-F893 HydrophobicContact CD2-CE2 4.2Å; L889-F893 WeakPolarHBondContact O-CB 3.34Å; L889-F893 WeakPolarHBondContact O-CD2 3.39Å; L889-F893 PolarHBondContact O-N 2.91Å
890	T	69.2	Low	71.7	Confident	26 Å²	26	58.8 Å²	58.8	16%	0.16	31%	0.305	C	S	.	.	H	α-helix	trans	-66.1	-30.1	177.5	50.2	0	0	0	0	112.3	L863 C886 E887 N894 I895	L863-T890 HydrophobicContact CD2-CG2 4.27Å; C886-T890 WeakPolarHBondContact O-CG2 3.3Å; C886-T890 PolarHBondContact O-N 3.05Å; C886-T890 PolarHBondContact O-OG1 3.28Å; E887-T890 WeakPolarHBondContact CA-OG1 3.27Å; E887-T890 PolarHBondContact O-OG1 3.17Å; T890-N894 CarbonylContact O-C 3.57Å; T890-N894 WeakPolarHBondContact O-CA 3.42Å; T890-N894 PolarHBondContact O-N 2.91Å; T890-N894 VanDerWaalsContact O-N 3.16Å; T890-I895 HydrophobicContact CG2-CB 4.21Å; T890-I895 PolarHBondContact O-N 2.97Å
891	S	69.2	Low	71.7	Confident	81 Å²	81	58.9 Å²	58.9	57%	0.566	31%	0.305	S	S	*	.	H	α-helix	trans	-83.7	-34.5	174.3	52.1	0	0	0	0	113.3	E887 N888 L889 F893	E887-S891 WeakPolarHBondContact O-CB 3.07Å; E887-S891 PolarHBondContact O-N 2.96Å; E887-S891 VanDerWaalsContact O-N 3.15Å; E887-S891 PolarHBondContact O-OG 3Å; N888-S891 PolarHBondContact O-N 2.99Å; N888-S891 PolarHBondContact O-OG 2.97Å; N888-S891 VanDerWaalsContact O-OG 3.08Å; L889-S891 VanDerWaalsContact C-N 3.26Å; L889-S891 PolarHBondContact O-N 3.01Å; S891-F893 VanDerWaalsContact C-N 3.29Å; S891-F893 PolarHBondContact O-N 3.46Å
892	E	67.4	Low	71.9	Confident	101 Å²	101	61.4 Å²	61.4	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-32.3	173.6	-174.9	172	-151.5	0	0	112.1	N888 L889	N888-E892 WeakPolarHBondContact O-CB 3.35Å; N888-E892 PolarHBondContact O-N 2.68Å; L889-E892 PolarHBondContact O-N 3.35Å
893	F	69.2	Low	72	Confident	89 Å²	89	62 Å²	62	39%	0.39	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	13.1	-177.9	-65.8	-81.5	0	0	0	114.6	P860 L889 S891 I895	P860-F893 HydrophobicContact CB-CD1 4Å; P860-F893 HydrophobicContact CB-CD2 3.65Å; P860-F893 HydrophobicContact CB-CE1 3.85Å; P860-F893 HydrophobicContact CB-CE2 3.51Å; P860-F893 HydrophobicContact CB-CG 3.92Å; P860-F893 HydrophobicContact CB-CZ 3.63Å; P860-F893 HydrophobicContact CG-CD1 4.4Å; P860-F893 HydrophobicContact CG-CD2 4.49Å; P860-F893 HydrophobicContact CG-CE1 3.8Å; P860-F893 HydrophobicContact CG-CE2 3.93Å; P860-F893 HydrophobicContact CG-CZ 3.55Å; L889-F893 HydrophobicContact CD2-CE2 4.2Å; L889-F893 WeakPolarHBondContact O-CB 3.34Å; L889-F893 WeakPolarHBondContact O-CD2 3.39Å; L889-F893 PolarHBondContact O-N 2.91Å; S891-F893 VanDerWaalsContact C-N 3.29Å; S891-F893 PolarHBondContact O-N 3.46Å; F893-I895 HydrophobicContact CB-CD1 3.95Å; F893-I895 HydrophobicContact CB-CG1 3.85Å; F893-I895 PolarHBondContact O-N 2.95Å; F893-I895 VanDerWaalsContact O-N 3.15Å
894	N	68.6	Low	72.4	Confident	150 Å²	150	62.1 Å²	62.1	80%	0.802	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	38.7	179.7	-72.2	-34.3	0	0	0	114.7	T890 Q896	T890-N894 CarbonylContact O-C 3.57Å; T890-N894 WeakPolarHBondContact O-CA 3.42Å; T890-N894 PolarHBondContact O-N 2.91Å; T890-N894 VanDerWaalsContact O-N 3.16Å; N894-Q896 PolarHBondContact O-N 3.22Å
895	I	71.9	Confident	72.2	Confident	21 Å²	21	61.7 Å²	61.7	11%	0.108	33%	0.325	C	S	.	.			trans	-82	109	-175.6	-56.3	176	0	0	0	109.5	L863 I864 N867 T890 F893 K897	L863-I895 HydrophobicContact CD2-CD1 4.03Å; L863-I895 HydrophobicContact CG-CD1 4.16Å; I864-I895 HydrophobicContact CG1-CD1 3.66Å; I864-I895 HydrophobicContact CG1-CG1 4.2Å; N867-I895 HydrophobicContact CB-CG2 4.11Å; N867-I895 VanDerWaalsContact ND2-CG2 3.3Å; N867-I895 WeakPolarHBondContact ND2-CG2 3.46Å; T890-I895 HydrophobicContact CG2-CB 4.21Å; T890-I895 PolarHBondContact O-N 2.97Å; F893-I895 HydrophobicContact CB-CD1 3.95Å; F893-I895 HydrophobicContact CB-CG1 3.85Å; F893-I895 PolarHBondContact O-N 2.95Å; F893-I895 VanDerWaalsContact O-N 3.15Å; I895-K897 PolarHBondContact O-N 2.89Å; I895-K897 VanDerWaalsContact O-N 3.13Å
896	Q	76.3	Confident	71.7	Confident	163 Å²	163	62.7 Å²	62.7	76%	0.762	33%	0.329	S	S	*	.			trans	-61.7	115.2	164.7	-177.3	173.5	-0.4	0	0	108.7	N867 H871 N894	N867-Q896 PolarHBondContact ND2-O 3.08Å; N867-Q896 PolarHBondContact OD1-O 3.38Å; H871-Q896 PolarHBondContact CE1-O 3.48Å; H871-Q896 VanDerWaalsContact CE1-O 3.29Å; N894-Q896 PolarHBondContact O-N 3.22Å
897	K	76.9	Confident	71.2	Confident	100 Å²	100	68 Å²	68	44%	0.435	35%	0.351	S	S	.	.			trans	-85.7	126.9	-172.6	177	179	174.8	-176.8	0	111.2	I895 L901 C903	I895-K897 PolarHBondContact O-N 2.89Å; I895-K897 VanDerWaalsContact O-N 3.13Å; K897-L901 WeakPolarHBondContact CE-O 3.3Å; K897-L901 HydrophobicContact CG-CB 4.44Å; K897-L901 HydrophobicContact CG-CD2 4.4Å; K897-C903 VanDerWaalsContact CE-SG 3.52Å; K897-C903 PolarHBondContact NZ-SG 3.19Å; K897-C903 VanDerWaalsContact NZ-SG 3.38Å
898	S	79.6	Confident	70.6	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.007	33%	0.327	C	S	.	.			trans	-68.7	148.4	171.3	38.7	0	0	0	0	111.7	N867 A870 H871 N900 L901	N867-S898 PolarHBondContact OD1-N 2.98Å; N867-S898 PolarHBondContact OD1-OG 3.37Å; A870-S898 WeakPolarHBondContact CB-OG 3.49Å; H871-S898 WeakPolarHBondContact CE1-CB 3.14Å; H871-S898 PolarHBondContact CE1-N 3.06Å; H871-S898 VanDerWaalsContact CE1-N 3.31Å; S898-N900 VanDerWaalsContact C-N 3.25Å; S898-N900 PolarHBondContact O-N 3.21Å; S898-L901 PolarHBondContact O-N 3.47Å; S898-L901 VanDerWaalsContact O-N 3.16Å; S898-L901 WeakPolarHBondContact OG-CB 3.34Å
899	P	77.6	Confident	69.9	Low	119 Å²	119	59.3 Å²	59.3	77%	0.773	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-37.8	175.8	21	-29.4	0	0	0	112.1	L901	P899-L901 PolarHBondContact O-N 2.96Å
900	N	81.2	Confident	69	Low	54 Å²	54	68.6 Å²	68.6	29%	0.289	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-5.3	-179.7	-55.1	36.7	0	0	0	113.6	A870 A876 I878 S898 I902	A870-N900 HydrophobicContact CB-CB 4.17Å; A876-N900 WeakPolarHBondContact O-CB 3.34Å; A876-N900 PolarHBondContact O-ND2 3.1Å; I878-N900 PolarHBondContact N-O 3.15Å; S898-N900 VanDerWaalsContact C-N 3.25Å; S898-N900 PolarHBondContact O-N 3.21Å; N900-I902 PolarHBondContact O-N 2.92Å
901	L	84.1	Confident	68.1	Low	1 Å²	1	70.4 Å²	70.4	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	92.3	177.6	-172.7	68.9	0	0	0	110.9	L863 L866 N867 A870 I878 V880 K897 S898 P899 C903	L863-L901 HydrophobicContact CD1-CD2 4.17Å; L866-L901 HydrophobicContact CB-CD1 4.32Å; N867-L901 HydrophobicContact CB-CD2 3.84Å; A870-L901 HydrophobicContact CB-CB 4.36Å; I878-L901 HydrophobicContact CB-CD1 4.01Å; I878-L901 HydrophobicContact CG2-CD1 3.9Å; I878-L901 CarbonylContact O-C 3.59Å; V880-L901 HydrophobicContact CG2-CD1 3.6Å; K897-L901 WeakPolarHBondContact CE-O 3.3Å; K897-L901 HydrophobicContact CG-CB 4.44Å; K897-L901 HydrophobicContact CG-CD2 4.4Å; S898-L901 PolarHBondContact O-N 3.47Å; S898-L901 VanDerWaalsContact O-N 3.16Å; S898-L901 WeakPolarHBondContact OG-CB 3.34Å; P899-L901 PolarHBondContact O-N 2.96Å; L901-C903 PolarHBondContact O-N 3.39Å
902	I	81.5	Confident	67.3	Low	56 Å²	56	67.1 Å²	67.1	29%	0.287	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	89.1	-173.2	-58.3	175.3	0	0	0	110.2	D877 I878 Y879 V880 N900 L904	D877-I902 HydrophobicContact CB-CD1 4.18Å; I878-I902 PolarHBondContact O-N 3Å; Y879-I902 WeakPolarHBondContact CA-O 3.47Å; Y879-I902 HydrophobicContact CD1-CB 3.67Å; Y879-I902 HydrophobicContact CD1-CD1 4.1Å; Y879-I902 HydrophobicContact CD1-CG1 4.45Å; Y879-I902 HydrophobicContact CD1-CG2 3.65Å; Y879-I902 HydrophobicContact CE1-CB 3.92Å; Y879-I902 HydrophobicContact CE1-CD1 3.43Å; Y879-I902 VanDerWaalsContact CE1-CD1 3.43Å; Y879-I902 HydrophobicContact CE1-CG1 4.24Å; Y879-I902 HydrophobicContact CE1-CG2 3.83Å; Y879-I902 HydrophobicContact CG-CB 4.46Å; V880-I902 PolarHBondContact N-O 3.35Å; N900-I902 PolarHBondContact O-N 2.92Å; I902-L904 HydrophobicContact CG2-CD2 4.49Å; I902-L904 PolarHBondContact O-N 2.8Å
903	C	76.5	Confident	66.6	Low	17 Å²	17	63.1 Å²	63.1	12%	0.115	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	121.7	173.7	-51.7	0	0	0	0	112	C886 K897 L901 N905	C886-C903 HydrophobicContact CB-CB 3.64Å; K897-C903 VanDerWaalsContact CE-SG 3.52Å; K897-C903 PolarHBondContact NZ-SG 3.19Å; K897-C903 VanDerWaalsContact NZ-SG 3.38Å; L901-C903 PolarHBondContact O-N 3.39Å; C903-N905 VanDerWaalsContact C-N 3.26Å; C903-N905 PolarHBondContact O-N 3.1Å
904	L	73.7	Confident	66	Low	16 Å²	16	64.9 Å²	64.9	8%	0.084	32%	0.319	C	S	.	.			trans	-87.6	51	-176.9	-63.8	172.9	0	0	0	112.6	F663 I667 L851 Y879 V880 L881 I902 N906 K907	F663-L904 HydrophobicContact CE1-CD1 4.48Å; I667-L904 HydrophobicContact CD1-CD1 3.59Å; I667-L904 HydrophobicContact CD1-CD2 3.98Å; I667-L904 HydrophobicContact CD1-CG 4.46Å; L851-L904 HydrophobicContact CD1-CD1 3.98Å; Y879-L904 HydrophobicContact CD1-CD2 4.43Å; V880-L904 PolarHBondContact O-N 3.17Å; L881-L904 HydrophobicContact CB-CB 4.2Å; L881-L904 HydrophobicContact CB-CD1 4.12Å; L881-L904 HydrophobicContact CD1-CB 4.22Å; I902-L904 HydrophobicContact CG2-CD2 4.49Å; I902-L904 PolarHBondContact O-N 2.8Å; L904-N906 PolarHBondContact O-N 2.92Å; L904-K907 PolarHBondContact O-N 3.03Å
905	N	60.8	Low	65.8	Low	66 Å²	66	59.4 Å²	59.4	35%	0.353	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-23.6	92.9	-174.3	-75.2	2.5	0	0	0	116	E887 C903 K907	E887-N905 PolarHBondContact OE1-ND2 3.1Å; C903-N905 VanDerWaalsContact C-N 3.26Å; C903-N905 PolarHBondContact O-N 3.1Å; N905-K907 PolarHBondContact O-N 3.36Å
906	N	56	Low	65.9	Low	43 Å²	43	62.7 Å²	62.7	23%	0.23	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	42.9	26.5	170.1	-84.4	5.5	0	0	0	117.1	R883 L904 L908 N909 R910	R883-N906 PolarHBondContact O-OD1 3.44Å; L904-N906 PolarHBondContact O-N 2.92Å; N906-L908 VanDerWaalsContact C-N 3.29Å; N906-L908 PolarHBondContact O-N 3.04Å; N906-N909 HydrophobicContact CB-CB 4.11Å; N906-N909 PolarHBondContact ND2-ND2 3.12Å; N906-N909 PolarHBondContact O-N 3.38Å; N906-N909 PolarHBondContact OD1-ND2 3.21Å; N906-R910 PolarHBondContact O-N 3.33Å
907	K	56.5	Low	65.7	Low	115 Å²	115	60.5 Å²	60.5	50%	0.5	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-37.8	174.9	-74.8	-175.1	178.9	175.2	0	111	F663 L904 N905 R910 L911	F663-K907 HydrophobicContact CE2-CB 4.31Å; F663-K907 HydrophobicContact CE2-CD 3.65Å; F663-K907 HydrophobicContact CZ-CB 3.99Å; F663-K907 HydrophobicContact CZ-CD 3.75Å; L904-K907 PolarHBondContact O-N 3.03Å; N905-K907 PolarHBondContact O-N 3.36Å; K907-R910 PolarHBondContact O-N 3.1Å; K907-L911 WeakPolarHBondContact O-CG 3.29Å; K907-L911 PolarHBondContact O-N 3.12Å
908	L	52.9	Low	65.5	Low	3 Å²	3	56.2 Å²	56.2	2%	0.016	28%	0.279	C	S	.	.	H	α-helix	trans	-68.7	-39.3	173.1	-115.4	77.7	0	0	0	112.4	L655 F663 L855 L881 N906 R910 L911 Q912	L655-L908 HydrophobicContact CD2-CD2 3.73Å; F663-L908 HydrophobicContact CD1-CD1 3.76Å; F663-L908 HydrophobicContact CE1-CD1 4.07Å; L855-L908 HydrophobicContact CD2-CD2 4.02Å; L881-L908 HydrophobicContact CD1-CB 4.29Å; L881-L908 HydrophobicContact CD2-CB 3.93Å; L881-L908 HydrophobicContact CD2-CD1 3.79Å; L881-L908 HydrophobicContact CD2-CD2 3.97Å; L881-L908 HydrophobicContact CD2-CG 4.09Å; N906-L908 VanDerWaalsContact C-N 3.29Å; N906-L908 PolarHBondContact O-N 3.04Å; L908-R910 PolarHBondContact O-N 3.36Å; L908-L911 HydrophobicContact CD1-CD1 3.94Å; L908-L911 HydrophobicContact CG-CD1 4.43Å; L908-L911 CarbonylContact O-C 3.56Å; L908-L911 WeakPolarHBondContact O-CA 3.38Å; L908-L911 WeakPolarHBondContact O-CB 3.4Å; L908-L911 PolarHBondContact O-N 3.24Å; L908-Q912 WeakPolarHBondContact O-CB 3.48Å; L908-Q912 WeakPolarHBondContact O-CG 3.4Å; L908-Q912 PolarHBondContact O-N 3.23Å
909	N	50.7	Low	65.7	Low	21 Å²	21	57.7 Å²	57.7	11%	0.112	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-35.9	174.5	-70.6	5.4	0	0	0	111.7	R883 N906 Q912 V913	R883-N909 PolarHBondContact O-ND2 3.02Å; N906-N909 HydrophobicContact CB-CB 4.11Å; N906-N909 PolarHBondContact ND2-ND2 3.12Å; N906-N909 PolarHBondContact O-N 3.38Å; N906-N909 PolarHBondContact OD1-ND2 3.21Å; N909-Q912 PolarHBondContact O-N 2.93Å; N909-V913 VanDerWaalsContact O-CB 3.23Å; N909-V913 WeakPolarHBondContact O-CB 3.26Å; N909-V913 VanDerWaalsContact O-CG2 3.32Å; N909-V913 WeakPolarHBondContact O-CG2 3.34Å; N909-V913 PolarHBondContact O-N 2.95Å
910	R	49.2	Very low	66	Low	197 Å²	197	57.1 Å²	57.1	74%	0.743	27%	0.267	S	S	*	.	H	α-helix	trans	-65.6	-39.6	170.6	-71.5	-173.3	175.4	-171.9	-1	113.1	N906 K907 L908	N906-R910 PolarHBondContact O-N 3.33Å; K907-R910 PolarHBondContact O-N 3.1Å; L908-R910 PolarHBondContact O-N 3.36Å
911	L	49.7	Very low	65.9	Low	65 Å²	65	57.2 Å²	57.2	34%	0.34	27%	0.272	S	S	.	.	H	α-helix	trans	-67.6	-32.9	174.5	-71.1	167.9	0	0	0	113.1	K659 K907 L908	K659-L911 HydrophobicContact CD-CD2 4.47Å; K907-L911 WeakPolarHBondContact O-CG 3.29Å; K907-L911 PolarHBondContact O-N 3.12Å; L908-L911 HydrophobicContact CD1-CD1 3.94Å; L908-L911 HydrophobicContact CG-CD1 4.43Å; L908-L911 CarbonylContact O-C 3.56Å; L908-L911 WeakPolarHBondContact O-CA 3.38Å; L908-L911 WeakPolarHBondContact O-CB 3.4Å; L908-L911 PolarHBondContact O-N 3.24Å
912	Q	54	Low	65.9	Low	11 Å²	11	57.2 Å²	57.2	5%	0.051	27%	0.272	C	S	.	.	H	α-helix	trans	-81.9	-64.5	-178.5	-66.3	174.2	8.5	0	0	111.3	C631 L653 L655 L908 N909 Q914 S915 L918	C631-Q912 PolarHBondContact SG-OE1 2.91Å; L653-Q912 HydrophobicContact CD2-CB 4.02Å; L653-Q912 HydrophobicContact CD2-CG 3.69Å; L655-Q912 HydrophobicContact CD2-CG 4.3Å; L655-Q912 HydrophobicContact CG-CG 4.32Å; L908-Q912 WeakPolarHBondContact O-CB 3.48Å; L908-Q912 WeakPolarHBondContact O-CG 3.4Å; L908-Q912 PolarHBondContact O-N 3.23Å; N909-Q912 PolarHBondContact O-N 2.93Å; Q912-Q914 PolarHBondContact O-N 2.94Å; Q912-S915 PolarHBondContact O-N 3.03Å; Q912-S915 PolarHBondContact O-OG 3.32Å; Q912-L918 VanDerWaalsContact O-CD2 3.29Å; Q912-L918 WeakPolarHBondContact O-CD2 3.32Å
913	V	52.6	Low	66.3	Low	18 Å²	18	54.6 Å²	54.6	11%	0.109	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-42.9	-165.1	173.4	0	0	0	0	112.5	Y607 L632 N909	Y607-V913 HydrophobicContact CD1-CG1 4.3Å; Y607-V913 WeakPolarHBondContact O-CG1 3.3Å; L632-V913 HydrophobicContact CD2-CG2 4.48Å; N909-V913 VanDerWaalsContact O-CB 3.23Å; N909-V913 WeakPolarHBondContact O-CB 3.26Å; N909-V913 VanDerWaalsContact O-CG2 3.32Å; N909-V913 WeakPolarHBondContact O-CG2 3.34Å; N909-V913 PolarHBondContact O-N 2.95Å
914	Q	55.9	Low	66.7	Low	125 Å²	125	57.7 Å²	57.7	58%	0.584	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	5.3	-176.2	-68.3	-170.6	-35.1	0	0	113.7	Q912 E916	Q912-Q914 PolarHBondContact O-N 2.94Å; Q914-E916 PolarHBondContact O-N 3.25Å
915	S	65.4	Low	67.2	Low	35 Å²	35	58.1 Å²	58.1	25%	0.245	27%	0.273	C	S	.	.			trans	-65.5	130.6	176.6	65.4	0	0	0	0	111.1	Q912 E917 L918 R919	Q912-S915 PolarHBondContact O-N 3.03Å; Q912-S915 PolarHBondContact O-OG 3.32Å; S915-E917 PolarHBondContact O-N 3Å; S915-L918 PolarHBondContact O-N 3.04Å; S915-L918 WeakPolarHBondContact OG-CB 3.29Å; S915-L918 PolarHBondContact OG-N 3.19Å; S915-R919 PolarHBondContact O-N 2.86Å; S915-R919 VanDerWaalsContact O-N 3.16Å
916	E	74	Confident	68.6	Low	90 Å²	90	55 Å²	55	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-56.9	-32.9	173.7	177.8	175.8	-145.7	0	0	110.8	V571 Q914 R919 R920	V571-E916 HydrophobicContact CG1-CG 4.05Å; V571-E916 HydrophobicContact CG2-CG 3.85Å; Q914-E916 PolarHBondContact O-N 3.25Å; E916-R919 PolarHBondContact O-N 2.73Å; E916-R920 HydrophobicContact CG-CG 4.11Å; E916-R920 WeakPolarHBondContact O-CB 3.25Å; E916-R920 VanDerWaalsContact O-CG 3.23Å; E916-R920 WeakPolarHBondContact O-CG 3.48Å; E916-R920 PolarHBondContact O-N 2.7Å; E916-R920 IonicContact OE1-CZ 2.74Å; E916-R920 IonicContact OE1-NE 3.05Å; E916-R920 PolarHBondContact OE1-NE 3.13Å; E916-R920 IonicContact OE1-NH2 3.16Å; E916-R920 PolarHBondContact OE1-NH2 2.88Å; E916-R920 IonicContact OE2-CZ 2.75Å; E916-R920 IonicContact OE2-NE 2.69Å; E916-R920 IonicContact OE2-NH1 3.04Å; E916-R920 PolarHBondContact OE2-NH1 3.46Å; E916-R920 IonicContact OE2-NH2 3.59Å; E916-R920 PolarHBondContact OE2-NH2 3.29Å
917	E	70.9	Confident	70.1	Confident	117 Å²	117	56 Å²	56	55%	0.547	26%	0.256	S	S	.	.	H	α-helix	trans	-66.9	-41.7	179.7	-66.1	174.8	161	0	0	112.4	S915 S921	S915-E917 PolarHBondContact O-N 3Å; E917-S921 VanDerWaalsContact O-CB 3.27Å; E917-S921 WeakPolarHBondContact O-CB 3.23Å; E917-S921 PolarHBondContact O-N 3.31Å
918	L	72.9	Confident	71.5	Confident	11 Å²	11	56.1 Å²	56.1	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-48.5	171.2	177.5	57.8	0	0	0	111.1	Y607 L653 Q912 S915 R920 S921 I922	Y607-L918 HydrophobicContact CE1-CD2 4.41Å; Y607-L918 HydrophobicContact CE1-CG 4.43Å; L653-L918 HydrophobicContact CD1-CD1 3.62Å; L653-L918 HydrophobicContact CD1-CD2 3.79Å; L653-L918 HydrophobicContact CD1-CG 4.24Å; Q912-L918 VanDerWaalsContact O-CD2 3.29Å; Q912-L918 WeakPolarHBondContact O-CD2 3.32Å; S915-L918 PolarHBondContact O-N 3.04Å; S915-L918 WeakPolarHBondContact OG-CB 3.29Å; S915-L918 PolarHBondContact OG-N 3.19Å; L918-R920 PolarHBondContact O-N 3.31Å; L918-S921 WeakPolarHBondContact O-CA 3.38Å; L918-S921 WeakPolarHBondContact O-CB 3.46Å; L918-S921 PolarHBondContact O-N 3.18Å; L918-I922 HydrophobicContact CD1-CD1 3.58Å; L918-I922 HydrophobicContact CD1-CG1 3.95Å; L918-I922 HydrophobicContact CD2-CD1 4.35Å; L918-I922 HydrophobicContact CG-CD1 3.69Å; L918-I922 HydrophobicContact CG-CG1 4.45Å; L918-I922 PolarHBondContact O-N 3.47Å
919	R	83	Confident	73	Confident	31 Å²	31	56.6 Å²	56.6	12%	0.117	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-43.4	-180	-72.4	177	60.2	-176.9	-2.8	112.3	E568 V571 E572 Y607 S915 E916 S923	E568-R919 PolarHBondContact O-NH2 2.84Å; V571-R919 HydrophobicContact CB-CB 4.06Å; V571-R919 HydrophobicContact CG1-CB 3.7Å; V571-R919 HydrophobicContact CG2-CB 4.42Å; E572-R919 WeakPolarHBondContact OE1-CB 3.38Å; E572-R919 IonicContact OE1-CZ 3.53Å; E572-R919 IonicContact OE1-NE 3.32Å; E572-R919 PolarHBondContact OE1-NE 3.09Å; E572-R919 IonicContact OE1-NH2 2.67Å; E572-R919 PolarHBondContact OE1-NH2 3.34Å; E572-R919 IonicContact OE2-CZ 3.45Å; E572-R919 IonicContact OE2-NE 2.98Å; E572-R919 IonicContact OE2-NH2 3.33Å; E572-R919 PolarHBondContact OE2-NH2 3.1Å; Y607-R919 HydrophobicContact CE1-CG 3.95Å; Y607-R919 WeakPolarHBondContact OH-CA 3.48Å; S915-R919 PolarHBondContact O-N 2.86Å; S915-R919 VanDerWaalsContact O-N 3.16Å; E916-R919 PolarHBondContact O-N 2.73Å; R919-S923 VanDerWaalsContact O-CB 3.26Å; R919-S923 WeakPolarHBondContact O-CB 3.35Å; R919-S923 PolarHBondContact O-N 3.47Å; R919-S923 PolarHBondContact O-OG 3.34Å
920	R	84.1	Confident	74.7	Confident	108 Å²	108	56.2 Å²	56.2	41%	0.408	25%	0.254	S	S	.	.	H	α-helix	trans	-62.1	-40.8	171	-73	177.2	177.4	166.3	-0.5	111.9	V571 I575 E916 L918 Q924	V571-R920 HydrophobicContact CG1-CB 4.25Å; V571-R920 HydrophobicContact CG1-CG 3.38Å; I575-R920 HydrophobicContact CD1-CB 4.19Å; I575-R920 HydrophobicContact CD1-CG 4.08Å; E916-R920 HydrophobicContact CG-CG 4.11Å; E916-R920 WeakPolarHBondContact O-CB 3.25Å; E916-R920 VanDerWaalsContact O-CG 3.23Å; E916-R920 WeakPolarHBondContact O-CG 3.48Å; E916-R920 PolarHBondContact O-N 2.7Å; E916-R920 IonicContact OE1-CZ 2.74Å; E916-R920 IonicContact OE1-NE 3.05Å; E916-R920 PolarHBondContact OE1-NE 3.13Å; E916-R920 IonicContact OE1-NH2 3.16Å; E916-R920 PolarHBondContact OE1-NH2 2.88Å; E916-R920 IonicContact OE2-CZ 2.75Å; E916-R920 IonicContact OE2-NE 2.69Å; E916-R920 IonicContact OE2-NH1 3.04Å; E916-R920 PolarHBondContact OE2-NH1 3.46Å; E916-R920 IonicContact OE2-NH2 3.59Å; E916-R920 PolarHBondContact OE2-NH2 3.29Å; L918-R920 PolarHBondContact O-N 3.31Å; R920-Q924 WeakPolarHBondContact O-CB 3.42Å; R920-Q924 VanDerWaalsContact O-CG 3.27Å; R920-Q924 WeakPolarHBondContact O-CG 3.45Å; R920-Q924 PolarHBondContact O-N 3.13Å
921	S	79.7	Confident	76.3	Confident	56 Å²	56	50.1 Å²	50.1	39%	0.392	24%	0.236	S	C	.	.	H	α-helix	trans	-67	-48.8	-178.5	-169.9	0	0	0	0	112.1	E917 L918 Q924 F925	E917-S921 VanDerWaalsContact O-CB 3.27Å; E917-S921 WeakPolarHBondContact O-CB 3.23Å; E917-S921 PolarHBondContact O-N 3.31Å; L918-S921 WeakPolarHBondContact O-CA 3.38Å; L918-S921 WeakPolarHBondContact O-CB 3.46Å; L918-S921 PolarHBondContact O-N 3.18Å; S921-Q924 PolarHBondContact O-N 2.83Å; S921-F925 WeakPolarHBondContact O-CB 3.18Å; S921-F925 PolarHBondContact O-N 2.94Å
922	I	85	Confident	77.7	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-48.2	175.1	-68.5	163.4	0	0	0	110.3	V605 Y607 P629 V651 L918 Q924 F925 L926	V605-I922 HydrophobicContact CG1-CG2 3.7Å; Y607-I922 HydrophobicContact CD1-CD1 4.4Å; Y607-I922 HydrophobicContact CE1-CD1 3.47Å; Y607-I922 VanDerWaalsContact CE1-CD1 3.47Å; P629-I922 HydrophobicContact CG-CD1 4Å; V651-I922 HydrophobicContact CB-CG1 4.09Å; V651-I922 HydrophobicContact CG1-CG1 3.78Å; V651-I922 HydrophobicContact CG2-CG1 4.16Å; L918-I922 HydrophobicContact CD1-CD1 3.58Å; L918-I922 HydrophobicContact CD1-CG1 3.95Å; L918-I922 HydrophobicContact CD2-CD1 4.35Å; L918-I922 HydrophobicContact CG-CD1 3.69Å; L918-I922 HydrophobicContact CG-CG1 4.45Å; L918-I922 PolarHBondContact O-N 3.47Å; I922-Q924 VanDerWaalsContact C-N 3.3Å; I922-Q924 PolarHBondContact O-N 2.96Å; I922-F925 PolarHBondContact O-N 3.02Å; I922-L926 WeakPolarHBondContact O-CB 3.48Å; I922-L926 PolarHBondContact O-N 3.22Å
923	S	88.4	Confident	78.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.1	-42.9	177.1	-60.1	0	0	0	0	112.1	R919 R927	R919-S923 VanDerWaalsContact O-CB 3.26Å; R919-S923 WeakPolarHBondContact O-CB 3.35Å; R919-S923 PolarHBondContact O-N 3.47Å; R919-S923 PolarHBondContact O-OG 3.34Å; S923-R927 VanDerWaalsContact O-CB 3.28Å; S923-R927 WeakPolarHBondContact O-CB 3.28Å; S923-R927 PolarHBondContact O-N 3.43Å
924	Q	86	Confident	78.8	Confident	82 Å²	82	59.7 Å²	59.7	38%	0.383	28%	0.281	S	S	.	.	H	α-helix	trans	-67.5	-34.6	174.3	-76	-177.5	50.5	0	0	113.2	I575 R920 S921 I922 R928	I575-Q924 HydrophobicContact CG2-CG 4.19Å; R920-Q924 WeakPolarHBondContact O-CB 3.42Å; R920-Q924 VanDerWaalsContact O-CG 3.27Å; R920-Q924 WeakPolarHBondContact O-CG 3.45Å; R920-Q924 PolarHBondContact O-N 3.13Å; S921-Q924 PolarHBondContact O-N 2.83Å; I922-Q924 VanDerWaalsContact C-N 3.3Å; I922-Q924 PolarHBondContact O-N 2.96Å; Q924-R928 WeakPolarHBondContact O-CB 3.26Å; Q924-R928 WeakPolarHBondContact O-CD 3.45Å; Q924-R928 WeakPolarHBondContact O-CG 3.45Å; Q924-R928 PolarHBondContact O-N 3.01Å; Q924-R928 PolarHBondContact O-NE 2.88Å
925	F	84.9	Confident	78.4	Confident	25 Å²	25	61.5 Å²	61.5	11%	0.11	29%	0.292	C	S	.	.	H	α-helix	trans	-70.1	-47.8	177.7	-175.6	-96.1	0	0	0	111.5	Y627 H649 V651 S921 I922 R928 N929	Y627-F925 AromaticContact CD1-CD1 3.76Å; Y627-F925 HydrophobicContact CD1-CD1 3.76Å; Y627-F925 AromaticContact CD1-CE1 3.9Å; Y627-F925 HydrophobicContact CD1-CE1 3.9Å; Y627-F925 AromaticContact CE1-CD1 3.62Å; Y627-F925 HydrophobicContact CE1-CD1 3.62Å; Y627-F925 AromaticContact CE1-CE1 3.66Å; Y627-F925 HydrophobicContact CE1-CE1 3.66Å; H649-F925 HydrophobicContact CB-CE1 4.1Å; H649-F925 AromaticContact ND1-CE1 3.93Å; V651-F925 HydrophobicContact CG2-CD1 3.96Å; V651-F925 HydrophobicContact CG2-CE1 4.34Å; S921-F925 WeakPolarHBondContact O-CB 3.18Å; S921-F925 PolarHBondContact O-N 2.94Å; I922-F925 PolarHBondContact O-N 3.02Å; F925-R928 WeakPolarHBondContact O-CB 3.46Å; F925-R928 PolarHBondContact O-N 3.38Å; F925-N929 PolarHBondContact O-N 3.14Å
926	L	88.5	Confident	77.1	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-53.3	-54.1	170.5	174.7	70.9	0	0	0	110.9	V561 F563 L576 D603 Y627 I922 R928 N929 L930	V561-L926 HydrophobicContact CG1-CD1 4.4Å; V561-L926 HydrophobicContact CG1-CD2 3.85Å; V561-L926 HydrophobicContact CG2-CD2 4.32Å; F563-L926 HydrophobicContact CE1-CD2 4.46Å; F563-L926 HydrophobicContact CE2-CD2 4.49Å; F563-L926 HydrophobicContact CZ-CD2 3.7Å; L576-L926 HydrophobicContact CD1-CD2 3.65Å; L576-L926 HydrophobicContact CD2-CD2 3.89Å; L576-L926 HydrophobicContact CD2-CG 4.27Å; L576-L926 HydrophobicContact CG-CD2 4.46Å; D603-L926 HydrophobicContact CB-CD1 3.94Å; Y627-L926 HydrophobicContact CD2-CD1 4.11Å; Y627-L926 HydrophobicContact CE1-CD1 4.4Å; Y627-L926 HydrophobicContact CE2-CD1 3.48Å; Y627-L926 VanDerWaalsContact CE2-CD1 3.48Å; I922-L926 WeakPolarHBondContact O-CB 3.48Å; I922-L926 PolarHBondContact O-N 3.22Å; L926-R928 VanDerWaalsContact C-N 3.27Å; L926-R928 PolarHBondContact O-N 2.65Å; L926-N929 WeakPolarHBondContact O-CA 3.49Å; L926-N929 PolarHBondContact O-N 3.19Å; L926-L930 HydrophobicContact CD1-CD1 4.11Å; L926-L930 HydrophobicContact CD1-CG 4.25Å; L926-L930 HydrophobicContact CD2-CD1 4.5Å; L926-L930 HydrophobicContact CG-CD1 3.87Å; L926-L930 HydrophobicContact CG-CG 4.38Å; L926-L930 WeakPolarHBondContact O-CG 3.3Å; L926-L930 PolarHBondContact O-N 2.8Å
927	R	88.6	Confident	75.3	Confident	65 Å²	65	69.8 Å²	69.8	25%	0.245	33%	0.327	C	S	.	.	H	α-helix	trans	-55	-41.7	176.8	-165	-160.9	172.3	95.3	7.5	112.1	I575 L576 D578 V579 S923 N929 L931	I575-R927 WeakPolarHBondContact O-CD 3.24Å; I575-R927 PolarHBondContact O-NH1 3.15Å; L576-R927 HydrophobicContact CD2-CB 3.88Å; L576-R927 HydrophobicContact CD2-CG 4.41Å; D578-R927 IonicContact OD1-CZ 2.66Å; D578-R927 IonicContact OD1-NH1 3.1Å; D578-R927 PolarHBondContact OD1-NH1 3.18Å; D578-R927 IonicContact OD1-NH2 2.65Å; D578-R927 IonicContact OD2-CZ 2.59Å; D578-R927 IonicContact OD2-NH1 2.65Å; D578-R927 PolarHBondContact OD2-NH1 3.49Å; D578-R927 IonicContact OD2-NH2 3.14Å; D578-R927 PolarHBondContact OD2-NH2 3.23Å; V579-R927 HydrophobicContact CG2-CG 4.14Å; S923-R927 VanDerWaalsContact O-CB 3.28Å; S923-R927 WeakPolarHBondContact O-CB 3.28Å; S923-R927 PolarHBondContact O-N 3.43Å; R927-N929 VanDerWaalsContact C-N 3.28Å; R927-N929 PolarHBondContact O-N 3.47Å; R927-L931 HydrophobicContact CG-CD1 3.97Å; R927-L931 HydrophobicContact CG-CG 4.41Å; R927-L931 WeakPolarHBondContact O-CB 3.38Å; R927-L931 VanDerWaalsContact O-CG 3.27Å; R927-L931 WeakPolarHBondContact O-CG 3.49Å; R927-L931 PolarHBondContact O-N 3.46Å
928	R	85.8	Confident	73.2	Confident	118 Å²	118	68.6 Å²	68.6	45%	0.445	33%	0.329	S	S	.	.	H	α-helix	trans	-67.3	-24	176.6	-71.4	161.8	-164.1	176.4	7.5	113	Q924 F925 L926 K932	Q924-R928 WeakPolarHBondContact O-CB 3.26Å; Q924-R928 WeakPolarHBondContact O-CD 3.45Å; Q924-R928 WeakPolarHBondContact O-CG 3.45Å; Q924-R928 PolarHBondContact O-N 3.01Å; Q924-R928 PolarHBondContact O-NE 2.88Å; F925-R928 WeakPolarHBondContact O-CB 3.46Å; F925-R928 PolarHBondContact O-N 3.38Å; L926-R928 VanDerWaalsContact C-N 3.27Å; L926-R928 PolarHBondContact O-N 2.65Å; R928-K932 WeakPolarHBondContact O-CD 3.44Å; R928-K932 VanDerWaalsContact O-CE 3.23Å; R928-K932 WeakPolarHBondContact O-CE 3.34Å; R928-K932 VanDerWaalsContact O-CG 3.22Å; R928-K932 WeakPolarHBondContact O-CG 3.42Å
929	N	84.2	Confident	71.2	Confident	13 Å²	13	77.1 Å²	77.1	7%	0.07	37%	0.366	C	S	.	.	H	α-helix	trans	-84.2	-47.3	174	-77.7	-5.4	0	0	0	111.5	Y627 H649 F925 L926 R927 L931 K932 N933	Y627-N929 WeakPolarHBondContact OH-CB 3.48Å; Y627-N929 PolarHBondContact OH-ND2 3.49Å; H649-N929 PolarHBondContact CE1-ND2 2.92Å; H649-N929 PolarHBondContact ND1-ND2 3.26Å; F925-N929 PolarHBondContact O-N 3.14Å; L926-N929 WeakPolarHBondContact O-CA 3.49Å; L926-N929 PolarHBondContact O-N 3.19Å; R927-N929 VanDerWaalsContact C-N 3.28Å; R927-N929 PolarHBondContact O-N 3.47Å; N929-L931 VanDerWaalsContact C-N 3.32Å; N929-L931 PolarHBondContact O-N 3.44Å; N929-K932 WeakPolarHBondContact O-CB 3.18Å; N929-K932 PolarHBondContact O-N 3.03Å; N929-K932 PolarHBondContact OD1-NZ 2.93Å; N929-N933 PolarHBondContact O-N 3.06Å
930	L	85.4	Confident	68.9	Low	12 Å²	12	85 Å²	85	6%	0.063	40%	0.401	C	S	.	.	H	α-helix	trans	-54	-47.3	174.5	-66.6	170.9	0	0	0	111.7	V579 I580 D603 L926 K932 N933 L934	V579-L930 HydrophobicContact CG1-CB 3.79Å; V579-L930 HydrophobicContact CG1-CD1 4.08Å; I580-L930 HydrophobicContact CB-CD1 4.2Å; I580-L930 HydrophobicContact CD1-CD1 4.43Å; I580-L930 HydrophobicContact CD1-CD2 4.06Å; I580-L930 HydrophobicContact CG2-CD1 3.63Å; D603-L930 WeakPolarHBondContact OD2-CD2 3.49Å; L926-L930 HydrophobicContact CD1-CD1 4.11Å; L926-L930 HydrophobicContact CD1-CG 4.25Å; L926-L930 HydrophobicContact CD2-CD1 4.5Å; L926-L930 HydrophobicContact CG-CD1 3.87Å; L926-L930 HydrophobicContact CG-CG 4.38Å; L926-L930 WeakPolarHBondContact O-CG 3.3Å; L926-L930 PolarHBondContact O-N 2.8Å; L930-K932 VanDerWaalsContact C-N 3.33Å; L930-K932 PolarHBondContact O-N 3Å; L930-N933 WeakPolarHBondContact O-CB 3.48Å; L930-N933 PolarHBondContact O-N 2.9Å; L930-N933 VanDerWaalsContact O-N 3.12Å; L930-L934 WeakPolarHBondContact O-CG 3.32Å; L930-L934 PolarHBondContact O-N 2.87Å
931	L	83.4	Confident	66.5	Low	70 Å²	70	84.2 Å²	84.2	37%	0.366	41%	0.409	S	S	.	.	H	α-helix	trans	-65.6	-28.9	177.9	-71	172.8	0	0	0	113.9	V579 R927 N929 L934 M935	V579-L931 HydrophobicContact CG1-CD2 4.41Å; V579-L931 HydrophobicContact CG2-CD2 4.25Å; R927-L931 HydrophobicContact CG-CD1 3.97Å; R927-L931 HydrophobicContact CG-CG 4.41Å; R927-L931 WeakPolarHBondContact O-CB 3.38Å; R927-L931 VanDerWaalsContact O-CG 3.27Å; R927-L931 WeakPolarHBondContact O-CG 3.49Å; R927-L931 PolarHBondContact O-N 3.46Å; N929-L931 VanDerWaalsContact C-N 3.32Å; N929-L931 PolarHBondContact O-N 3.44Å; L931-L934 HydrophobicContact CD2-CD1 4.3Å; L931-M935 WeakPolarHBondContact O-CG 3.48Å; L931-M935 PolarHBondContact O-N 3.35Å
932	K	79.3	Confident	64	Low	115 Å²	115	89.7 Å²	89.7	50%	0.5	43%	0.428	S	S	.	.	H	α-helix	trans	-65.6	-43.4	171.5	-70.8	162	-163.5	164.2	0	110.4	R928 N929 L930 M935 F936	R928-K932 WeakPolarHBondContact O-CD 3.44Å; R928-K932 VanDerWaalsContact O-CE 3.23Å; R928-K932 WeakPolarHBondContact O-CE 3.34Å; R928-K932 VanDerWaalsContact O-CG 3.22Å; R928-K932 WeakPolarHBondContact O-CG 3.42Å; N929-K932 WeakPolarHBondContact O-CB 3.18Å; N929-K932 PolarHBondContact O-N 3.03Å; N929-K932 PolarHBondContact OD1-NZ 2.93Å; L930-K932 VanDerWaalsContact C-N 3.33Å; L930-K932 PolarHBondContact O-N 3Å; K932-M935 PolarHBondContact O-N 3.35Å; K932-F936 WeakPolarHBondContact O-CD2 3.15Å
933	N	67.4	Low	61.4	Low	92 Å²	92	97.9 Å²	97.9	49%	0.492	47%	0.47	S	S	.	.	H	α-helix	trans	-66.3	-43.9	-177.6	-61.5	-13.7	0	0	0	110.7	N929 L930 M935 F936	N929-N933 PolarHBondContact O-N 3.06Å; L930-N933 WeakPolarHBondContact O-CB 3.48Å; L930-N933 PolarHBondContact O-N 2.9Å; L930-N933 VanDerWaalsContact O-N 3.12Å; N933-M935 VanDerWaalsContact C-N 3.31Å; N933-M935 PolarHBondContact O-N 2.93Å; N933-F936 PolarHBondContact O-N 3.07Å
934	L	61.6	Low	58.6	Low	88 Å²	88	103.1 Å²	103.1	46%	0.461	50%	0.502	S	S	.	.	H	α-helix	trans	-61.1	-35	175.5	-70.4	167.6	0	0	0	113.1	V579 L930 L931 F936 I937	V579-L934 HydrophobicContact CG1-CD1 4Å; L930-L934 WeakPolarHBondContact O-CG 3.32Å; L930-L934 PolarHBondContact O-N 2.87Å; L931-L934 HydrophobicContact CD2-CD1 4.3Å; L934-F936 PolarHBondContact O-N 3.07Å; L934-I937 HydrophobicContact CD2-CD1 4.21Å
935	M	47.2	Very low	55.9	Low	163 Å²	163	107.8 Å²	107.8	80%	0.803	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-6.4	177.7	-80.5	-148.2	73.7	0	0	115.1	L931 K932 N933	L931-M935 WeakPolarHBondContact O-CG 3.48Å; L931-M935 PolarHBondContact O-N 3.35Å; K932-M935 PolarHBondContact O-N 3.35Å; N933-M935 VanDerWaalsContact C-N 3.31Å; N933-M935 PolarHBondContact O-N 2.93Å
936	F	39.4	Very low	53.2	Low	178 Å²	178	112.6 Å²	112.6	78%	0.781	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	7.4	-179.8	-87.5	-76.6	0	0	0	115	K932 N933 L934 P938	K932-F936 WeakPolarHBondContact O-CD2 3.15Å; N933-F936 PolarHBondContact O-N 3.07Å; L934-F936 PolarHBondContact O-N 3.07Å; F936-P938 VanDerWaalsContact O-CD 3.26Å; F936-P938 WeakPolarHBondContact O-CD 3.31Å
937	I	35.7	Very low	50.6	Low	120 Å²	120	120 Å²	120	62%	0.615	60%	0.595	S	S	*	*			trans	-65.4	118.4	170.1	-59.6	172.9	0	0	0	108.7	L934 K939	L934-I937 HydrophobicContact CD2-CD1 4.21Å; I937-K939 PolarHBondContact O-N 3.4Å
938	P	28	Very low	47.9	Very low	93 Å²	93	125.2 Å²	125.2	60%	0.604	62%	0.622	S	S	*	*			trans	-65.6	132.3	171.7	-15.5	30.7	0	0	0	108.9	F936 F940	F936-P938 VanDerWaalsContact O-CD 3.26Å; F936-P938 WeakPolarHBondContact O-CD 3.31Å; P938-F940 PolarHBondContact O-N 3.28Å
939	K	30.6	Very low	45.4	Very low	189 Å²	189	129 Å²	129	82%	0.822	64%	0.643	S	S	*	*			trans	-66.7	98.6	169.9	-74.3	-165.8	172.5	-161.2	0	109.4	I937 T941	I937-K939 PolarHBondContact O-N 3.4Å; K939-T941 HydrophobicContact CB-CG2 4.27Å; K939-T941 PolarHBondContact O-N 2.92Å
940	F	34.5	Very low	43.1	Very low	197 Å²	197	136.7 Å²	136.7	86%	0.864	68%	0.675	S	S	*	*			trans	-70.4	84.5	155.3	-79	-84.6	0	0	0	107.9	P938 E942	P938-F940 PolarHBondContact O-N 3.28Å; F940-E942 PolarHBondContact O-N 3.36Å
941	T	32.6	Very low	40.4	Very low	91 Å²	91	143 Å²	143	56%	0.558	71%	0.709	S	S	*	*			trans	-69.8	112.7	168.7	45.4	0	0	0	0	109	K939 I943	K939-T941 HydrophobicContact CB-CG2 4.27Å; K939-T941 PolarHBondContact O-N 2.92Å; T941-I943 PolarHBondContact O-N 2.89Å
942	E	28.6	Very low	38	Very low	171 Å²	171	149.1 Å²	149.1	80%	0.799	73%	0.733	S	S	*	*			trans	31.5	80	134.9	-64.6	159	151.3	0	0	115	F940	F940-E942 PolarHBondContact O-N 3.36Å
943	I	30.3	Very low	35.6	Very low	173 Å²	173	149.8 Å²	149.8	89%	0.887	75%	0.747	S	S	*	*			trans	-104.7	79.6	155.1	-54.8	-178.7	0	0	0	106.7	T941	T941-I943 PolarHBondContact O-N 2.89Å
944	T	28.1	Very low	33.8	Very low	111 Å²	111	154.6 Å²	154.6	68%	0.681	77%	0.766	S	S	*	*			trans	-118.8	145.1	168.4	46.2	0	0	0	0	108.7
945	Q	30.6	Very low	32.4	Very low	179 Å²	179	155.5 Å²	155.5	84%	0.836	78%	0.777	S	S	*	*	S	Bend	trans	87	127.9	179.5	-52.7	-178.5	-1	0	0	116.1
946	T	28.5	Very low	31.5	Very low	127 Å²	127	158.8 Å²	158.8	78%	0.779	78%	0.781	S	S	*	*			trans	50.8	95.9	156.2	58.4	0	0	0	0	119.3
947	D	33.1	Very low	31.1	Very low	154 Å²	154	159.6 Å²	159.6	82%	0.824	79%	0.787	S	S	*	*			trans	-144	106.5	131.2	-115.8	-31.1	0	0	0	109.1	F949	D947-F949 PolarHBondContact O-N 3.19Å
948	E	30.8	Very low	30.7	Very low	175 Å²	175	163.2 Å²	163.2	82%	0.818	80%	0.798	S	S	*	*			trans	-85	98	176.6	-72.1	-165.9	143.4	0	0	110.6
949	F	33.8	Very low	30.8	Very low	199 Å²	199	167 Å²	167	87%	0.873	81%	0.81	S	S	*	*			trans	-123.9	133.7	166.2	-95	-84.6	0	0	0	114	D947	D947-F949 PolarHBondContact O-N 3.19Å
950	K	36	Very low	30.6	Very low	173 Å²	173	164.2 Å²	164.2	75%	0.752	81%	0.808	S	S	*	*			trans	-90.7	142.2	-158.7	-69	167.2	177.7	166.5	0	112.9
951	N	29.3	Very low	30.5	Very low	144 Å²	144	162 Å²	162	77%	0.77	81%	0.805	S	S	*	*			trans	55.8	118.7	148.9	-51.8	-15.6	0	0	0	116.7
952	K	32.6	Very low	30.5	Very low	199 Å²	199	164.4 Å²	164.4	87%	0.865	82%	0.815	S	S	*	*				-161.1	144.6	69.1	-88.8	172.2	177.9	176.9	0	114
953	T	29.9	Very low	30.4	Very low	130 Å²	130	163.2 Å²	163.2	80%	0.798	81%	0.813	S	S	*	*			trans	-20.7	132.3	159.6	49.3	0	0	0	0	119.2
954	E	29.5	Very low	30.6	Very low	192 Å²	192	164.6 Å²	164.6	90%	0.897	82%	0.816	S	S	*	*				-157	154.7	111.8	-111.3	178.9	-179.1	0	0	111.5
955	P	32	Very low	30.6	Very low	108 Å²	108	168.2 Å²	168.2	70%	0.701	82%	0.822	S	S	*	*			trans	-113.7	149	-164.5	39.5	-30.6	0	0	0	116.6
956	R	26.8	Very low	30.7	Very low	232 Å²	232	168.4 Å²	168.4	88%	0.875	83%	0.826	S	S	*	*			trans	44.5	121	145.9	-62.9	177.3	176.5	179.9	-0.3	119.3
957	H	32	Very low	30.7	Very low	194 Å²	194	169.7 Å²	169.7	90%	0.898	83%	0.828	S	S	*	*				-136.4	126.9	129.2	-105.2	-82.9	0	0	0	111.4
958	K	27	Very low	30.9	Very low	197 Å²	197	167.2 Å²	167.2	86%	0.857	82%	0.82	S	S	*	*			trans	-90.8	145.5	159	-77.7	-175.4	174	-175.6	0	107.6
959	M	30.1	Very low	30.8	Very low	172 Å²	172	164.8 Å²	164.8	85%	0.847	82%	0.817	S	S	*	*			trans	-146.9	92.8	161.6	-141.8	169.6	-170.1	0	0	111.3
960	T	26	Very low	30.7	Very low	130 Å²	130	162 Å²	162	80%	0.798	81%	0.81	S	S	*	*			trans	-85.1	138.7	157.8	30.4	0	0	0	0	109
961	L	33.4	Very low	30.5	Very low	151 Å²	151	161 Å²	161	79%	0.791	81%	0.813	S	S	*	*			trans	-147.6	137.1	159.8	-126.2	117.2	0	0	0	110.2
962	N	31.2	Very low	30.4	Very low	142 Å²	142	160.1 Å²	160.1	76%	0.759	81%	0.813	S	S	*	*			trans	-93	157	-179.6	-78.8	-25	0	0	0	111.5
963	N	27.3	Very low	30.4	Very low	145 Å²	145	158 Å²	158	78%	0.775	81%	0.81	S	S	*	*			trans	11.5	126.2	147.5	-56.5	-20.7	0	0	0	118.3
964	Q	34	Very low	30.5	Very low	202 Å²	202	160.4 Å²	160.4	94%	0.944	81%	0.81	S	S	*	*				-163.3	165.4	112.6	-106.4	168.5	45.1	0	0	113.8
965	K	28.2	Very low	30.6	Very low	187 Å²	187	159.9 Å²	159.9	81%	0.813	80%	0.804	S	S	*	*			trans	-76.1	149.9	-171.3	-54.1	164.6	178.7	174.4	0	112
966	M	32.6	Very low	30.7	Very low	184 Å²	184	160.7 Å²	160.7	91%	0.906	80%	0.803	S	S	*	*				179.4	166.6	111	-92.1	-78.7	179.1	0	0	112.3
967	N	29.6	Very low	30.9	Very low	153 Å²	153	155 Å²	155	82%	0.818	79%	0.794	S	S	*	*			trans	-96.4	-173.5	-163.2	-129.7	-0.9	0	0	0	112.3
968	P	36.7	Very low	30.7	Very low	103 Å²	103	152.5 Å²	152.5	67%	0.669	79%	0.787	S	S	*	*				-128.2	-153	-126.2	42.7	-23.6	0	0	0	115
969	T	28	Very low	31	Very low	123 Å²	123	150.1 Å²	150.1	76%	0.755	79%	0.79	S	S	*	*			trans	99.8	151.4	158.7	-15.8	0	0	0	0	118.3
970	I	31.9	Very low	30.9	Very low	141 Å²	141	151 Å²	151	72%	0.723	79%	0.791	S	S	*	*			trans	76.7	93.2	162.4	-55	160.4	0	0	0	117.5
971	N	32.8	Very low	31.2	Very low	152 Å²	152	153.7 Å²	153.7	81%	0.813	80%	0.795	S	S	*	*				179.9	163.2	99	-110.6	-37.5	0	0	0	114.3
972	T	27.7	Very low	30.9	Very low	125 Å²	125	156.9 Å²	156.9	77%	0.767	80%	0.802	S	S	*	*			trans	-140.5	142.8	178.6	56.9	0	0	0	0	113.2
973	L	31.6	Very low	30.9	Very low	155 Å²	155	157.4 Å²	157.4	81%	0.812	80%	0.804	S	S	*	*			trans	-158.9	125.4	161.6	-117.1	90.6	0	0	0	106.8
974	K	31.9	Very low	31	Very low	181 Å²	181	154.9 Å²	154.9	79%	0.787	80%	0.796	S	S	*	*				62.9	136.6	80.4	-62.6	176.3	-175.6	165.5	0	112.7
975	K	32.6	Very low	30.9	Very low	180 Å²	180	151.6 Å²	151.6	78%	0.783	79%	0.792	S	S	*	*			cis	-166.3	177.7	14.8	-137	179.7	178.1	-171.6	0	112.8
976	N	33	Very low	31	Very low	126 Å²	126	151.5 Å²	151.5	67%	0.674	79%	0.794	S	S	*	*			trans	77.8	128.1	163	-57.1	-4.1	0	0	0	116.9
977	T	30.3	Very low	30.7	Very low	112 Å²	112	145.7 Å²	145.7	69%	0.687	78%	0.782	S	S	*	*			cis	74.9	132.3	42.2	69.5	0	0	0	0	114
978	N	28.1	Very low	30.8	Very low	142 Å²	142	146.3 Å²	146.3	76%	0.759	78%	0.783	S	S	*	*			cis	-160	156.5	3.7	-96.6	-14.4	0	0	0	110.3
979	T	33	Very low	30.4	Very low	147 Å²	147	149.8 Å²	149.8	90%	0.902	79%	0.788	S	S	*	*			trans	172.3	153.8	130.7	28.8	0	0	0	0	112
980	H	28.6	Very low	30.4	Very low	191 Å²	191	153 Å²	153	88%	0.884	79%	0.791	S	S	*	*			trans	-95.5	133.1	177.7	-72.9	-87.4	0	0	0	112.6
981	Q	31.9	Very low	30.2	Very low	186 Å²	186	154 Å²	154	87%	0.869	79%	0.793	S	S	*	*			trans	-136.7	136.9	147.1	-74.4	-166.2	-10.8	0	0	109.9
982	K	28.5	Very low	30	Very low	218 Å²	218	152.5 Å²	152.5	95%	0.948	78%	0.784	S	S	*	*			trans	-83.5	116.1	175.4	-75.1	-179.5	177.1	176.2	0	109.6
983	L	29.9	Very low	30.1	Very low	152 Å²	152	152.1 Å²	152.1	80%	0.796	78%	0.781	S	S	*	*			trans	-112.1	138.4	165.6	-80.1	160.4	0	0	0	109.5
984	P	29.7	Very low	30	Very low	93 Å²	93	152.2 Å²	152.2	60%	0.604	78%	0.776	S	S	*	*			trans	-76	146.3	-176.9	30.9	-34.8	0	0	0	111.9	H986	P984-H986 PolarHBondContact O-N 3.27Å
985	P	31.7	Very low	29.9	Very low	133 Å²	133	146.7 Å²	146.7	86%	0.864	77%	0.77	S	S	*	*			trans	-75.3	94.4	-177.8	30.2	-34.9	0	0	0	111.8	G987	P985-G987 PolarHBondContact O-N 3.19Å
986	H	31.9	Very low	29.7	Very low	184 Å²	184	144.7 Å²	144.7	85%	0.852	77%	0.766	S	S	*	*			trans	-70.8	87	176.5	-104.3	-62.2	0	0	0	112.9	P984 I988	P984-H986 PolarHBondContact O-N 3.27Å; H986-I988 PolarHBondContact O-N 3.49Å
987	G	26.3	Very low	29.6	Very low	63 Å²	63	143 Å²	143	65%	0.649	76%	0.757	S	S	*	*			trans	58.2	55.7	141.1	0	0	0	0	0	118.5	P985 K989	P985-G987 PolarHBondContact O-N 3.19Å; G987-K989 PolarHBondContact O-N 3.35Å
988	I	29.8	Very low	29.5	Very low	165 Å²	165	142.6 Å²	142.6	85%	0.846	76%	0.759	S	S	*	*			trans	-62.7	104.4	167.2	-59.6	176.3	0	0	0	109.4	H986 K990	H986-I988 PolarHBondContact O-N 3.49Å; I988-K990 PolarHBondContact O-N 2.89Å; I988-K990 VanDerWaalsContact O-N 3.13Å
989	K	28.3	Very low	29.5	Very low	177 Å²	177	141.4 Å²	141.4	77%	0.77	75%	0.752	S	S	*	*			trans	-69.8	104.6	177.1	-76.5	-178.5	176.6	175.5	0	110.9	G987 H991	G987-K989 PolarHBondContact O-N 3.35Å; K989-H991 PolarHBondContact O-N 3.02Å
990	K	28.7	Very low	29.2	Very low	189 Å²	189	140.9 Å²	140.9	82%	0.822	75%	0.748	S	S	*	*			trans	-66.8	97.1	167.2	-66.6	-174.5	178.2	-175.7	0	110.2	I988 L992	I988-K990 PolarHBondContact O-N 2.89Å; I988-K990 VanDerWaalsContact O-N 3.13Å; K990-L992 VanDerWaalsContact C-N 3.27Å; K990-L992 PolarHBondContact O-N 3.11Å
991	H	27.7	Very low	29.1	Very low	164 Å²	164	134.8 Å²	134.8	76%	0.759	73%	0.731	S	S	*	*			trans	-75.4	79.2	170.3	-98.6	-91.3	0	0	0	110.7	K989 T993	K989-H991 PolarHBondContact O-N 3.02Å; H991-T993 PolarHBondContact O-N 3.18Å
992	L	28.5	Very low	28.8	Very low	119 Å²	119	131.6 Å²	131.6	62%	0.623	73%	0.729	S	S	*	*			trans	-78.4	98.8	163.9	-94.2	161.9	0	0	0	108.9	K990 F994	K990-L992 VanDerWaalsContact C-N 3.27Å; K990-L992 PolarHBondContact O-N 3.11Å; L992-F994 HydrophobicContact CB-CD2 3.96Å; L992-F994 HydrophobicContact CB-CE2 3.8Å; L992-F994 HydrophobicContact CD1-CE2 4.17Å; L992-F994 HydrophobicContact CD2-CE2 4.33Å; L992-F994 HydrophobicContact CG-CE2 4.33Å; L992-F994 PolarHBondContact O-N 3.28Å
993	T	30.2	Very low	28.7	Very low	117 Å²	117	128.7 Å²	128.7	72%	0.718	72%	0.716	S	S	*	*			trans	-76.8	68.9	-179	-47.4	0	0	0	0	111.3	H991 G995	H991-T993 PolarHBondContact O-N 3.18Å; T993-G995 PolarHBondContact O-N 3.29Å
994	F	30	Very low	28.7	Very low	158 Å²	158	128.6 Å²	128.6	69%	0.693	72%	0.722	S	S	*	*			trans	-59.7	133.6	173.4	-80	-83.7	0	0	0	111.3	L992 I996	L992-F994 HydrophobicContact CB-CD2 3.96Å; L992-F994 HydrophobicContact CB-CE2 3.8Å; L992-F994 HydrophobicContact CD1-CE2 4.17Å; L992-F994 HydrophobicContact CD2-CE2 4.33Å; L992-F994 HydrophobicContact CG-CE2 4.33Å; L992-F994 PolarHBondContact O-N 3.28Å; F994-I996 PolarHBondContact O-N 3.25Å
995	G	28.6	Very low	28.5	Very low	64 Å²	64	130.7 Å²	130.7	66%	0.66	73%	0.728	S	S	*	*			trans	-69.4	88.8	175.4	0	0	0	0	0	112	T993 N997	T993-G995 PolarHBondContact O-N 3.29Å; G995-N997 PolarHBondContact O-N 3.45Å
996	I	29	Very low	28.3	Very low	139 Å²	139	133 Å²	133	71%	0.713	72%	0.724	S	S	*	*			trans	-62.5	101.5	-175.6	-56.2	175.1	0	0	0	111.4	F994 S998	F994-I996 PolarHBondContact O-N 3.25Å; I996-S998 WeakPolarHBondContact CG2-O 3.4Å
997	N	31.5	Very low	28	Very low	90 Å²	90	134.1 Å²	134.1	48%	0.481	72%	0.722	S	S	.	*			trans	-122.3	-5.9	159.4	-90.5	-40.8	0	0	0	113.5	G995 L999	G995-N997 PolarHBondContact O-N 3.45Å; N997-L999 PolarHBondContact O-N 3.31Å
998	S	28.7	Very low	28.1	Very low	103 Å²	103	141.9 Å²	141.9	72%	0.72	73%	0.734	S	S	*	*			trans	-70.3	117.4	156.8	-178.5	0	0	0	0	108.3	I996	I996-S998 WeakPolarHBondContact CG2-O 3.4Å
999	L	26.8	Very low	28	Very low	118 Å²	118	139.1 Å²	139.1	62%	0.618	73%	0.726	S	S	*	*			trans	-129.1	33	-177.3	-131	174.2	0	0	0	112.1	N997 A1001	N997-L999 PolarHBondContact O-N 3.31Å; L999-A1001 VanDerWaalsContact C-N 3.3Å; L999-A1001 HydrophobicContact CD2-CB 4.35Å; L999-A1001 PolarHBondContact O-N 3.4Å
1000	V	26.7	Very low	27.9	Very low	135 Å²	135	136.6 Å²	136.6	82%	0.818	73%	0.726	S	S	*	*			trans	-70.5	92.8	158	-179.1	0	0	0	0	107	S1002	V1000-S1002 PolarHBondContact O-N 3.13Å
1001	A	27.5	Very low	28	Very low	64 Å²	64	136.6 Å²	136.6	53%	0.529	73%	0.728	S	S	.	*			trans	-73.2	109.3	-171.6	0	0	0	0	0	112	L999 K1003	L999-A1001 VanDerWaalsContact C-N 3.3Å; L999-A1001 HydrophobicContact CD2-CB 4.35Å; L999-A1001 PolarHBondContact O-N 3.4Å; A1001-K1003 PolarHBondContact O-N 3.05Å
1002	S	25.6	Very low	27.9	Very low	118 Å²	118	135.1 Å²	135.1	83%	0.825	74%	0.735	S	S	*	*			trans	-61.4	91.5	168.1	47.3	0	0	0	0	111.1	V1000	V1000-S1002 PolarHBondContact O-N 3.13Å
1003	K	26.6	Very low	28	Very low	157 Å²	157	136.8 Å²	136.8	68%	0.683	78%	0.781	S	S	*	*			trans	-133.2	37.6	-174.2	-93.9	-175	176.3	171.8	0	115.2	A1001 L1005	A1001-K1003 PolarHBondContact O-N 3.05Å; K1003-L1005 PolarHBondContact O-N 2.85Å
1004	T	28.5	Very low	27.9	Very low	150 Å²	150	137.8 Å²	137.8	92%	0.92	79%	0.785	S	S	*	*			trans	-91.5	69.6	159.8	34.6	0	0	0	0	110.3
1005	L	26.7	Very low	27.8	Very low	138 Å²	138	136.7 Å²	136.7	72%	0.723	79%	0.789	S	S	*	*			trans	-116.7	116.8	179.3	-118.1	175.5	0	0	0	111	K1003	K1003-L1005 PolarHBondContact O-N 2.85Å
1006	K	26.4	Very low	27.7	Very low	180 Å²	180	140.8 Å²	140.8	78%	0.783	80%	0.797	S	S	*	*			trans	58.1	98.2	164.2	-67	170.3	-178.5	-177.5	0	117.4
1007	Y	26.9	Very low	27.7	Very low	208 Å²	208	140.9 Å²	140.9	82%	0.816	80%	0.801	S	S	*	*				-156.7	108.4	128.4	-98.4	-72.1	0	0	0	109.7
1008	Y	27.6	Very low	27.4	Very low	226 Å²	226	144.1 Å²	144.1	89%	0.886	82%	0.821	S	S	*	*	S	Bend		-169.7	154.5	125.9	-98.4	-74.5	0	0	0	106.5
1009	P	28.1	Very low	27.3	Very low	107 Å²	107	146.8 Å²	146.8	70%	0.695	83%	0.828	S	S	*	*			trans	-89.4	167.9	-160.5	36.1	-35.5	0	0	0	113.7
1010	T	26.5	Very low	27.4	Very low	124 Å²	124	148.9 Å²	148.9	76%	0.761	84%	0.843	S	S	*	*			trans	-49.7	133.2	164	47.8	0	0	0	0	113
1011	H	30.1	Very low	27.4	Very low	189 Å²	189	149.9 Å²	149.9	88%	0.875	85%	0.845	S	S	*	*			trans	-142.8	139.8	131.9	-104.6	-77.6	0	0	0	108.6
1012	C	24.6	Very low	27.4	Very low	134 Å²	134	157.1 Å²	157.1	91%	0.905	87%	0.872	S	S	*	*			trans	-88.1	145.7	176	-58.5	0	0	0	0	109.8
1013	G	31.6	Very low	27.6	Very low	154 Å²	154	160.6 Å²	160.6	100%	1.588	88%	0.876	S	S	*	*			trans	-172	0	174.2	0	0	0	0	0	107.4

Retrieved 1,013 of 1,013 residues in 183.9 ms (Link to these results)

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